| 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 | 36.5 | Very low | 59.5 | Low | 199 Ų | 199 | 100.5 Ų | 100.5 | 98% | 0.98 | 51% | 0.505 | S | S | * | . | 0 | -39.2 | 0 | -83.5 | -166.4 | 164.7 | 0 | 0 | 112.9 | D3 N4 | M1-D3 PolarHBondContact O-N 3.36Å; M1-N4 PolarHBondContact O-N 2.99Å | |||
| 2 | Q | 38.9 | Very low | 60.6 | Low | 178 Ų | 178 | 94.3 Ų | 94.3 | 83% | 0.832 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.8 | -34 | 172.2 | -84.7 | 178.5 | -33.9 | 0 | 0 | 114.1 | N4 | Q2-N4 VanDerWaalsContact C-N 3.27Å; Q2-N4 PolarHBondContact O-N 3.49Å |
| 3 | D | 52.4 | Low | 62 | Low | 129 Ų | 129 | 95.5 Ų | 95.5 | 69% | 0.69 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -31.4 | 174.5 | -69.9 | -32.2 | 0 | 0 | 0 | 112.8 | M1 E5 S6 V7 | M1-D3 PolarHBondContact O-N 3.36Å; D3-E5 PolarHBondContact O-N 3.31Å; D3-S6 PolarHBondContact O-OG 3.26Å; D3-V7 WeakPolarHBondContact O-CG2 3.33Å; D3-V7 PolarHBondContact O-N 3.49Å |
| 4 | N | 57.3 | Low | 63.1 | Low | 66 Ų | 66 | 90.6 Ų | 90.6 | 35% | 0.353 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.3 | -29.4 | -174.5 | -75.5 | 3.7 | 0 | 0 | 0 | 113.5 | M1 Q2 L8 F46 | M1-N4 PolarHBondContact O-N 2.99Å; Q2-N4 VanDerWaalsContact C-N 3.27Å; Q2-N4 PolarHBondContact O-N 3.49Å; N4-L8 VanDerWaalsContact O-CB 3.23Å; N4-L8 WeakPolarHBondContact O-CB 3.25Å; N4-L8 PolarHBondContact O-N 3.34Å; N4-F46 HydrophobicContact CB-CD2 4.5Å; N4-F46 HydrophobicContact CB-CE2 3.79Å; N4-F46 HydrophobicContact CB-CZ 4.46Å |
| 5 | E | 61.1 | Low | 63.8 | Low | 138 Ų | 138 | 84.9 Ų | 84.9 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -74.3 | -38.2 | 177.5 | -81.6 | -173.8 | 156 | 0 | 0 | 112.5 | D3 V7 L8 Q9 | D3-E5 PolarHBondContact O-N 3.31Å; E5-V7 VanDerWaalsContact C-N 3.34Å; E5-L8 WeakPolarHBondContact O-CB 3.48Å; E5-L8 PolarHBondContact O-N 3.33Å; E5-Q9 PolarHBondContact O-N 3Å |
| 6 | S | 65.8 | Low | 64.6 | Low | 64 Ų | 64 | 86 Ų | 86 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176.7 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | D3 Q9 E10 | D3-S6 PolarHBondContact O-OG 3.26Å; S6-Q9 PolarHBondContact O-N 3.03Å; S6-E10 PolarHBondContact O-N 3.35Å |
| 7 | V | 64.1 | Low | 65.6 | Low | 33 Ų | 33 | 85.1 Ų | 85.1 | 20% | 0.2 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.2 | -34.5 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | D3 E5 Q9 E10 Y11 L38 I41 | D3-V7 WeakPolarHBondContact O-CG2 3.33Å; D3-V7 PolarHBondContact O-N 3.49Å; E5-V7 VanDerWaalsContact C-N 3.34Å; V7-Q9 VanDerWaalsContact C-N 3.35Å; V7-Q9 PolarHBondContact O-N 2.81Å; V7-E10 PolarHBondContact O-N 3Å; V7-Y11 WeakPolarHBondContact O-CB 3.37Å; V7-Y11 PolarHBondContact O-N 2.97Å; V7-L38 HydrophobicContact CG1-CD2 3.28Å; V7-I41 HydrophobicContact CB-CD1 3.91Å; V7-I41 HydrophobicContact CG1-CD1 3.29Å; V7-I41 HydrophobicContact CG2-CD1 4.21Å |
| 8 | L | 62.8 | Low | 66.3 | Low | 37 Ų | 37 | 82 Ų | 82 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 172.4 | -175 | 70.1 | 0 | 0 | 0 | 111.7 | N4 E5 Y11 Q12 F46 I50 | N4-L8 VanDerWaalsContact O-CB 3.23Å; N4-L8 WeakPolarHBondContact O-CB 3.25Å; N4-L8 PolarHBondContact O-N 3.34Å; E5-L8 WeakPolarHBondContact O-CB 3.48Å; E5-L8 PolarHBondContact O-N 3.33Å; L8-Y11 PolarHBondContact O-N 3.5Å; L8-Q12 WeakPolarHBondContact O-CB 3.44Å; L8-Q12 VanDerWaalsContact O-CG 3.26Å; L8-Q12 WeakPolarHBondContact O-CG 3.4Å; L8-Q12 PolarHBondContact O-N 3.36Å; L8-F46 HydrophobicContact CD1-CZ 4.43Å; L8-I50 HydrophobicContact CD1-CB 4.04Å; L8-I50 HydrophobicContact CD1-CD1 3.57Å; L8-I50 HydrophobicContact CD1-CG1 3.43Å; L8-I50 VanDerWaalsContact CD1-CG1 3.43Å; L8-I50 HydrophobicContact CD1-CG2 3.85Å |
| 9 | Q | 72 | Confident | 66.6 | Low | 129 Ų | 129 | 80.1 Ų | 80.1 | 60% | 0.603 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.2 | -44.4 | 177.5 | -76.6 | -175.8 | -3.3 | 0 | 0 | 111.9 | E5 S6 V7 Y11 Q12 L13 | E5-Q9 PolarHBondContact O-N 3Å; S6-Q9 PolarHBondContact O-N 3.03Å; V7-Q9 VanDerWaalsContact C-N 3.35Å; V7-Q9 PolarHBondContact O-N 2.81Å; Q9-Y11 VanDerWaalsContact C-N 3.32Å; Q9-Y11 PolarHBondContact O-N 2.73Å; Q9-Q12 PolarHBondContact O-N 3.41Å; Q9-L13 WeakPolarHBondContact O-CB 3.5Å; Q9-L13 VanDerWaalsContact O-CG 3.31Å; Q9-L13 WeakPolarHBondContact O-CG 3.34Å; Q9-L13 PolarHBondContact O-N 3.45Å |
| 10 | E | 72.8 | Confident | 67.2 | Low | 122 Ų | 122 | 78.3 Ų | 78.3 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 177 | -169.4 | 175.9 | -173.7 | 0 | 0 | 111.6 | S6 V7 T14 | S6-E10 PolarHBondContact O-N 3.35Å; V7-E10 PolarHBondContact O-N 3Å; E10-T14 WeakPolarHBondContact O-CB 3.16Å; E10-T14 PolarHBondContact O-N 3.18Å; E10-T14 PolarHBondContact O-OG1 3.21Å |
| 11 | Y | 71.2 | Confident | 67.6 | Low | 11 Ų | 11 | 79.5 Ų | 79.5 | 4% | 0.043 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 175.7 | -171.7 | -113.9 | 0 | 0 | 0 | 112.5 | V7 L8 Q9 L13 T14 L15 M35 L38 I50 F63 | V7-Y11 WeakPolarHBondContact O-CB 3.37Å; V7-Y11 PolarHBondContact O-N 2.97Å; L8-Y11 PolarHBondContact O-N 3.5Å; Q9-Y11 VanDerWaalsContact C-N 3.32Å; Q9-Y11 PolarHBondContact O-N 2.73Å; Y11-L13 PolarHBondContact O-N 2.82Å; Y11-T14 PolarHBondContact O-N 3.48Å; Y11-L15 HydrophobicContact CD1-CD1 3.67Å; Y11-L15 HydrophobicContact CD2-CD1 4.23Å; Y11-L15 HydrophobicContact CE1-CD1 3.36Å; Y11-L15 HydrophobicContact CE2-CD1 3.98Å; Y11-L15 HydrophobicContact CG-CD1 4.13Å; Y11-L15 WeakPolarHBondContact O-CB 3.23Å; Y11-L15 WeakPolarHBondContact O-CG 3.02Å; Y11-L15 PolarHBondContact O-N 3.4Å; Y11-M35 HydrophobicContact CE2-SD 4.05Å; Y11-L38 HydrophobicContact CD2-CB 4.28Å; Y11-L38 HydrophobicContact CD2-CD1 3.65Å; Y11-L38 HydrophobicContact CD2-CD2 3.62Å; Y11-L38 HydrophobicContact CD2-CG 4.03Å; Y11-L38 HydrophobicContact CE2-CB 4.39Å; Y11-L38 HydrophobicContact CE2-CD1 4.3Å; Y11-L38 HydrophobicContact CE2-CD2 4.44Å; Y11-L38 HydrophobicContact CG-CD2 4.15Å; Y11-I50 HydrophobicContact CD1-CD1 4.2Å; Y11-I50 HydrophobicContact CE1-CD1 4.2Å; Y11-F63 HydrophobicContact CE2-CD1 4.37Å; Y11-F63 HydrophobicContact CE2-CE1 4.06Å; Y11-F63 AromaticContact CZ-CD1 3.83Å; Y11-F63 AromaticContact CZ-CE1 3.88Å; Y11-F63 WeakPolarHBondContact OH-CD1 3.31Å; Y11-F63 WeakPolarHBondContact OH-CE1 3.43Å |
| 12 | Q | 72.6 | Confident | 69.7 | Low | 26 Ų | 26 | 75.1 Ų | 75.1 | 12% | 0.121 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 178 | -76.6 | 178.9 | -11.8 | 0 | 0 | 112.1 | L8 Q9 R16 V60 | L8-Q12 WeakPolarHBondContact O-CB 3.44Å; L8-Q12 VanDerWaalsContact O-CG 3.26Å; L8-Q12 WeakPolarHBondContact O-CG 3.4Å; L8-Q12 PolarHBondContact O-N 3.36Å; Q9-Q12 PolarHBondContact O-N 3.41Å; Q12-R16 WeakPolarHBondContact O-CB 3.46Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 3.49Å; Q12-V60 HydrophobicContact CG-CG1 4.15Å |
| 13 | L | 78.2 | Confident | 71.8 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 58% | 0.576 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.3 | -45.9 | 177.4 | -74.7 | 167.1 | 0 | 0 | 0 | 111.5 | Q9 Y11 L15 R16 E17 | Q9-L13 WeakPolarHBondContact O-CB 3.5Å; Q9-L13 VanDerWaalsContact O-CG 3.31Å; Q9-L13 WeakPolarHBondContact O-CG 3.34Å; Q9-L13 PolarHBondContact O-N 3.45Å; Y11-L13 PolarHBondContact O-N 2.82Å; L13-L15 PolarHBondContact O-N 3.32Å; L13-R16 PolarHBondContact O-N 3.36Å; L13-E17 PolarHBondContact O-N 3.49Å |
| 14 | T | 77.3 | Confident | 73.3 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.16 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 178.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | E10 Y11 E17 I18 L31 M35 | E10-T14 WeakPolarHBondContact O-CB 3.16Å; E10-T14 PolarHBondContact O-N 3.18Å; E10-T14 PolarHBondContact O-OG1 3.21Å; Y11-T14 PolarHBondContact O-N 3.48Å; T14-E17 PolarHBondContact O-N 2.97Å; T14-I18 HydrophobicContact CG2-CD1 4.23Å; T14-I18 WeakPolarHBondContact O-CG1 3.41Å; T14-I18 PolarHBondContact O-N 3.24Å; T14-L31 HydrophobicContact CG2-CB 4.41Å; T14-L31 HydrophobicContact CG2-CD2 4.28Å; T14-M35 HydrophobicContact CG2-CG 4.45Å |
| 15 | L | 74.1 | Confident | 74.5 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.4 | -35 | -179.7 | -73.5 | 173.3 | 0 | 0 | 0 | 113.3 | Y11 L13 E17 I18 G19 M35 V60 F63 | Y11-L15 HydrophobicContact CD1-CD1 3.67Å; Y11-L15 HydrophobicContact CD2-CD1 4.23Å; Y11-L15 HydrophobicContact CE1-CD1 3.36Å; Y11-L15 HydrophobicContact CE2-CD1 3.98Å; Y11-L15 HydrophobicContact CG-CD1 4.13Å; Y11-L15 WeakPolarHBondContact O-CB 3.23Å; Y11-L15 WeakPolarHBondContact O-CG 3.02Å; Y11-L15 PolarHBondContact O-N 3.4Å; L13-L15 PolarHBondContact O-N 3.32Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-I18 HydrophobicContact CD2-CD1 4.44Å; L15-I18 PolarHBondContact O-N 3.18Å; L15-G19 PolarHBondContact O-N 3.35Å; L15-M35 HydrophobicContact CD2-CE 3.7Å; L15-M35 HydrophobicContact CD2-SD 4.17Å; L15-V60 HydrophobicContact CB-CG2 3.86Å; L15-V60 HydrophobicContact CD1-CB 4.45Å; L15-V60 HydrophobicContact CD1-CG1 4.1Å; L15-F63 HydrophobicContact CD1-CB 4.23Å; L15-F63 HydrophobicContact CD1-CD1 3.74Å; L15-F63 HydrophobicContact CD1-CG 4.27Å; L15-F63 HydrophobicContact CD2-CB 3.87Å; L15-F63 HydrophobicContact CD2-CD1 3.46Å; L15-F63 VanDerWaalsContact CD2-CD1 3.46Å; L15-F63 HydrophobicContact CD2-CD2 4.08Å; L15-F63 HydrophobicContact CD2-CE1 4.02Å; L15-F63 HydrophobicContact CD2-CG 3.51Å; L15-F63 HydrophobicContact CG-CD1 4.24Å |
| 16 | R | 76.8 | Confident | 75.5 | Confident | 102 Ų | 102 | 66.7 Ų | 66.7 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 170.9 | -81.1 | 178.1 | 179.7 | 160.5 | 5.2 | 111.5 | Q12 L13 G19 S20 N55 D57 V60 | Q12-R16 WeakPolarHBondContact O-CB 3.46Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 3.49Å; L13-R16 PolarHBondContact O-N 3.36Å; R16-G19 PolarHBondContact O-N 2.95Å; R16-S20 PolarHBondContact O-N 2.86Å; R16-S20 VanDerWaalsContact O-N 3.08Å; R16-N55 PolarHBondContact NH2-O 3.41Å; R16-N55 VanDerWaalsContact NH2-O 3.13Å; R16-D57 WeakPolarHBondContact CD-OD2 3.44Å; R16-D57 WeakPolarHBondContact CG-OD2 3.3Å; R16-D57 IonicContact CZ-OD2 3.54Å; R16-D57 IonicContact NE-OD2 3.67Å; R16-D57 PolarHBondContact NE-OD2 3.49Å; R16-D57 IonicContact NH2-OD2 3.34Å; R16-V60 HydrophobicContact CG-CG2 4.35Å |
| 17 | E | 81.2 | Confident | 76.4 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.4 | -166.6 | -179.2 | 158.8 | 0 | 0 | 111.1 | L13 T14 L15 G19 S20 T23 R27 L31 | L13-E17 PolarHBondContact O-N 3.49Å; T14-E17 PolarHBondContact O-N 2.97Å; L15-E17 VanDerWaalsContact C-N 3.33Å; E17-G19 VanDerWaalsContact C-N 3.34Å; E17-G19 PolarHBondContact O-N 3.39Å; E17-S20 PolarHBondContact O-N 3.3Å; E17-T23 HydrophobicContact CG-CG2 4.26Å; E17-T23 WeakPolarHBondContact O-CB 3.5Å; E17-T23 PolarHBondContact O-OG1 2.79Å; E17-R27 IonicContact OE1-CZ 3.58Å; E17-R27 IonicContact OE1-NE 2.81Å; E17-R27 PolarHBondContact OE1-NE 3.08Å; E17-R27 IonicContact OE1-NH2 3.85Å; E17-R27 PolarHBondContact OE1-NH2 2.98Å; E17-R27 IonicContact OE2-NH2 3.99Å; E17-L31 HydrophobicContact CB-CD1 4.01Å; E17-L31 HydrophobicContact CG-CD1 3.75Å |
| 18 | I | 78.1 | Confident | 77.2 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 15% | 0.154 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.2 | -67.7 | 168.6 | 0 | 0 | 0 | 111.4 | T14 L15 S20 R28 L31 L32 M35 | T14-I18 HydrophobicContact CG2-CD1 4.23Å; T14-I18 WeakPolarHBondContact O-CG1 3.41Å; T14-I18 PolarHBondContact O-N 3.24Å; L15-I18 HydrophobicContact CD2-CD1 4.44Å; L15-I18 PolarHBondContact O-N 3.18Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.47Å; I18-R28 PolarHBondContact O-NE 3.13Å; I18-R28 VanDerWaalsContact O-NE 3.07Å; I18-L31 HydrophobicContact CD1-CB 3.95Å; I18-L31 HydrophobicContact CG1-CB 3.79Å; I18-L31 HydrophobicContact CG1-CD1 3.88Å; I18-L32 HydrophobicContact CD1-CD2 4.15Å; I18-L32 HydrophobicContact CD1-CG 4.31Å; I18-M35 HydrophobicContact CD1-CE 4.01Å |
| 19 | G | 71.4 | Confident | 78 | Confident | 46 Ų | 46 | 76 Ų | 76 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.3 | -12.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L15 R16 E17 | L15-G19 PolarHBondContact O-N 3.35Å; R16-G19 PolarHBondContact O-N 2.95Å; E17-G19 VanDerWaalsContact C-N 3.34Å; E17-G19 PolarHBondContact O-N 3.39Å |
| 20 | S | 79.6 | Confident | 78.4 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 30% | 0.301 | 39% | 0.391 | S | S | . | . | trans | -71.5 | 136.7 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | R16 E17 I18 S22 T23 R28 | R16-S20 PolarHBondContact O-N 2.86Å; R16-S20 VanDerWaalsContact O-N 3.08Å; E17-S20 PolarHBondContact O-N 3.3Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.47Å; S20-S22 PolarHBondContact O-N 3.24Å; S20-S22 PolarHBondContact OG-N 3.11Å; S20-S22 PolarHBondContact OG-OG 2.83Å; S20-T23 PolarHBondContact O-N 3.33Å; S20-T23 PolarHBondContact O-OG1 3.21Å; S20-R28 PolarHBondContact O-NH2 3.27Å | ||
| 21 | A | 75.4 | Confident | 78.7 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 86% | 0.86 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T23 | A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.46Å |
| 22 | S | 80.7 | Confident | 78.8 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.2 | -178.6 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | S20 | S20-S22 PolarHBondContact O-N 3.24Å; S20-S22 PolarHBondContact OG-N 3.11Å; S20-S22 PolarHBondContact OG-OG 2.83Å |
| 23 | T | 82.9 | Confident | 78.8 | Confident | 16 Ų | 16 | 77.8 Ų | 77.8 | 10% | 0.098 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -80.7 | 133.6 | -175.7 | -47.7 | 0 | 0 | 0 | 0 | 110.7 | E17 S20 A21 R27 R28 | E17-T23 HydrophobicContact CG-CG2 4.26Å; E17-T23 WeakPolarHBondContact O-CB 3.5Å; E17-T23 PolarHBondContact O-OG1 2.79Å; S20-T23 PolarHBondContact O-N 3.33Å; S20-T23 PolarHBondContact O-OG1 3.21Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.46Å; T23-R27 HydrophobicContact CG2-CB 3.86Å; T23-R27 HydrophobicContact CG2-CG 3.67Å; T23-R28 HydrophobicContact CG2-CG 3.96Å; T23-R28 PolarHBondContact O-NH1 2.67Å; T23-R28 PolarHBondContact O-NH2 3.03Å |
| 24 | S | 83.2 | Confident | 78.3 | Confident | 68 Ų | 68 | 76.9 Ų | 76.9 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | trans | -71.9 | 155.4 | 178 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | E26 R27 R28 | S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 2.94Å; S24-R27 PolarHBondContact O-N 3.19Å; S24-R27 WeakPolarHBondContact OG-CB 3.34Å; S24-R27 PolarHBondContact OG-N 3.49Å; S24-R28 PolarHBondContact O-N 3.37Å | ||
| 25 | N | 82.3 | Confident | 77.7 | Confident | 124 Ų | 124 | 76.1 Ų | 76.1 | 66% | 0.663 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.4 | -36.6 | 177.3 | -70.6 | -21.3 | 0 | 0 | 0 | 112.3 | R28 R29 | N25-R28 PolarHBondContact O-N 3.37Å; N25-R28 PolarHBondContact OD1-NH1 3.45Å; N25-R29 PolarHBondContact O-N 3.35Å |
| 26 | E | 81.8 | Confident | 76.9 | Confident | 126 Ų | 126 | 79.3 Ų | 79.3 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.6 | -47.9 | 174.1 | -156.9 | 74.5 | -167.8 | 0 | 0 | 111.1 | S24 R29 Q30 | S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 PolarHBondContact O-N 2.94Å; E26-R29 PolarHBondContact O-N 3.33Å; E26-Q30 PolarHBondContact O-N 2.6Å; E26-Q30 VanDerWaalsContact O-N 3.08Å |
| 27 | R | 85.3 | Confident | 75.9 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 36% | 0.362 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 179.4 | -177.9 | 59.1 | 175 | 173 | 3.2 | 111.6 | E17 T23 S24 R29 Q30 L31 | E17-R27 IonicContact OE1-CZ 3.58Å; E17-R27 IonicContact OE1-NE 2.81Å; E17-R27 PolarHBondContact OE1-NE 3.08Å; E17-R27 IonicContact OE1-NH2 3.85Å; E17-R27 PolarHBondContact OE1-NH2 2.98Å; E17-R27 IonicContact OE2-NH2 3.99Å; T23-R27 HydrophobicContact CG2-CB 3.86Å; T23-R27 HydrophobicContact CG2-CG 3.67Å; S24-R27 PolarHBondContact O-N 3.19Å; S24-R27 WeakPolarHBondContact OG-CB 3.34Å; S24-R27 PolarHBondContact OG-N 3.49Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R27-R29 PolarHBondContact O-N 2.96Å; R27-Q30 PolarHBondContact O-N 3.34Å; R27-L31 HydrophobicContact CG-CD1 4.06Å; R27-L31 HydrophobicContact CG-CG 4.41Å; R27-L31 VanDerWaalsContact O-CG 3.25Å; R27-L31 WeakPolarHBondContact O-CG 3.43Å; R27-L31 PolarHBondContact O-N 3.43Å |
| 28 | R | 81.5 | Confident | 74.5 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 173.8 | -71.5 | -170.3 | -171.6 | 96.1 | 9 | 111.9 | I18 S20 T23 S24 N25 L31 L32 | I18-R28 PolarHBondContact O-NE 3.13Å; I18-R28 VanDerWaalsContact O-NE 3.07Å; S20-R28 PolarHBondContact O-NH2 3.27Å; T23-R28 HydrophobicContact CG2-CG 3.96Å; T23-R28 PolarHBondContact O-NH1 2.67Å; T23-R28 PolarHBondContact O-NH2 3.03Å; S24-R28 PolarHBondContact O-N 3.37Å; N25-R28 PolarHBondContact O-N 3.37Å; N25-R28 PolarHBondContact OD1-NH1 3.45Å; R28-L31 PolarHBondContact O-N 3.42Å; R28-L32 WeakPolarHBondContact O-CB 3.43Å; R28-L32 VanDerWaalsContact O-CG 3.29Å; R28-L32 WeakPolarHBondContact O-CG 3.37Å; R28-L32 PolarHBondContact O-N 3.45Å |
| 29 | R | 79.3 | Confident | 73.3 | Confident | 173 Ų | 173 | 83.1 Ų | 83.1 | 65% | 0.653 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.7 | -49.6 | 175.1 | -86.8 | -176.3 | -176.9 | 155.9 | -1.6 | 111.8 | N25 E26 R27 L31 L32 E33 | N25-R29 PolarHBondContact O-N 3.35Å; E26-R29 PolarHBondContact O-N 3.33Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R27-R29 PolarHBondContact O-N 2.96Å; R29-L31 VanDerWaalsContact C-N 3.3Å; R29-L31 PolarHBondContact O-N 3.3Å; R29-L32 PolarHBondContact O-N 3.08Å; R29-L32 VanDerWaalsContact O-N 3.14Å; R29-E33 WeakPolarHBondContact O-CB 3.36Å; R29-E33 WeakPolarHBondContact O-CG 3.26Å; R29-E33 PolarHBondContact O-N 3.01Å |
| 30 | Q | 81.4 | Confident | 72.5 | Confident | 84 Ų | 84 | 85.8 Ų | 85.8 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 178 | -70 | 176.7 | -3.1 | 0 | 0 | 112.9 | E26 R27 E33 N34 | E26-Q30 PolarHBondContact O-N 2.6Å; E26-Q30 VanDerWaalsContact O-N 3.08Å; R27-Q30 PolarHBondContact O-N 3.34Å; Q30-E33 PolarHBondContact O-N 3.03Å; Q30-N34 PolarHBondContact O-N 3.35Å; Q30-N34 PolarHBondContact O-ND2 3.14Å |
| 31 | L | 77.8 | Confident | 71.4 | Confident | 13 Ų | 13 | 85.4 Ų | 85.4 | 7% | 0.068 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 177.2 | -67.5 | 170.6 | 0 | 0 | 0 | 111.6 | T14 E17 I18 R27 R28 R29 N34 M35 | T14-L31 HydrophobicContact CG2-CB 4.41Å; T14-L31 HydrophobicContact CG2-CD2 4.28Å; E17-L31 HydrophobicContact CB-CD1 4.01Å; E17-L31 HydrophobicContact CG-CD1 3.75Å; I18-L31 HydrophobicContact CD1-CB 3.95Å; I18-L31 HydrophobicContact CG1-CB 3.79Å; I18-L31 HydrophobicContact CG1-CD1 3.88Å; R27-L31 HydrophobicContact CG-CD1 4.06Å; R27-L31 HydrophobicContact CG-CG 4.41Å; R27-L31 VanDerWaalsContact O-CG 3.25Å; R27-L31 WeakPolarHBondContact O-CG 3.43Å; R27-L31 PolarHBondContact O-N 3.43Å; R28-L31 PolarHBondContact O-N 3.42Å; R29-L31 VanDerWaalsContact C-N 3.3Å; R29-L31 PolarHBondContact O-N 3.3Å; L31-N34 PolarHBondContact O-N 3Å; L31-M35 WeakPolarHBondContact O-CG 3.35Å; L31-M35 PolarHBondContact O-N 3.01Å |
| 32 | L | 73.8 | Confident | 70.6 | Confident | 91 Ų | 91 | 82.9 Ų | 82.9 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 174.5 | -73.7 | 167.3 | 0 | 0 | 0 | 112.4 | I18 R28 R29 N34 M35 | I18-L32 HydrophobicContact CD1-CD2 4.15Å; I18-L32 HydrophobicContact CD1-CG 4.31Å; R28-L32 WeakPolarHBondContact O-CB 3.43Å; R28-L32 VanDerWaalsContact O-CG 3.29Å; R28-L32 WeakPolarHBondContact O-CG 3.37Å; R28-L32 PolarHBondContact O-N 3.45Å; R29-L32 PolarHBondContact O-N 3.08Å; R29-L32 VanDerWaalsContact O-N 3.14Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 3.15Å; L32-M35 HydrophobicContact CD2-CE 3.98Å; L32-M35 WeakPolarHBondContact O-CB 3.41Å; L32-M35 PolarHBondContact O-N 2.96Å |
| 33 | E | 73.4 | Confident | 70.4 | Confident | 138 Ų | 138 | 82.2 Ų | 82.2 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69.5 | -25.4 | 175.3 | -77.2 | 172.7 | -176.8 | 0 | 0 | 113.2 | R29 Q30 P36 | R29-E33 WeakPolarHBondContact O-CB 3.36Å; R29-E33 WeakPolarHBondContact O-CG 3.26Å; R29-E33 PolarHBondContact O-N 3.01Å; Q30-E33 PolarHBondContact O-N 3.03Å; E33-P36 VanDerWaalsContact C-CD 3.49Å; E33-P36 WeakPolarHBondContact O-CD 3.42Å |
| 34 | N | 67 | Low | 70.2 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -89 | -15 | 176.4 | -76.1 | -58.1 | 0 | 0 | 0 | 113.6 | Q30 L31 L32 P36 K37 | Q30-N34 PolarHBondContact O-N 3.35Å; Q30-N34 PolarHBondContact O-ND2 3.14Å; L31-N34 PolarHBondContact O-N 3Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 3.15Å; N34-P36 VanDerWaalsContact C-N 3.35Å; N34-K37 PolarHBondContact O-N 2.84Å |
| 35 | M | 64.3 | Low | 70.2 | Confident | 10 Ų | 10 | 81.7 Ų | 81.7 | 5% | 0.049 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -61 | -22 | 175.1 | -80.3 | -118.4 | -93.7 | 0 | 0 | 117.2 | Y11 T14 L15 I18 L31 L32 K37 L38 F63 | Y11-M35 HydrophobicContact CE2-SD 4.05Å; T14-M35 HydrophobicContact CG2-CG 4.45Å; L15-M35 HydrophobicContact CD2-CE 3.7Å; L15-M35 HydrophobicContact CD2-SD 4.17Å; I18-M35 HydrophobicContact CD1-CE 4.01Å; L31-M35 WeakPolarHBondContact O-CG 3.35Å; L31-M35 PolarHBondContact O-N 3.01Å; L32-M35 HydrophobicContact CD2-CE 3.98Å; L32-M35 WeakPolarHBondContact O-CB 3.41Å; L32-M35 PolarHBondContact O-N 2.96Å; M35-K37 PolarHBondContact O-N 2.68Å; M35-L38 WeakPolarHBondContact O-CB 3.37Å; M35-L38 PolarHBondContact O-N 3.08Å; M35-F63 HydrophobicContact CE-CD1 4.15Å; M35-F63 HydrophobicContact CE-CD2 4.16Å; M35-F63 HydrophobicContact CE-CE1 3.39Å; M35-F63 HydrophobicContact CE-CE2 3.43Å; M35-F63 VanDerWaalsContact CE-CE2 3.43Å; M35-F63 HydrophobicContact CE-CG 4.5Å; M35-F63 HydrophobicContact CE-CZ 3.01Å; M35-F63 HydrophobicContact SD-CE1 3.83Å; M35-F63 HydrophobicContact SD-CZ 3.94Å |
| 36 | P | 56.6 | Low | 70 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -60.5 | -22.3 | 173.6 | -23.6 | 34.4 | 0 | 0 | 0 | 113.9 | E33 N34 L38 D39 | E33-P36 VanDerWaalsContact C-CD 3.49Å; E33-P36 WeakPolarHBondContact O-CD 3.42Å; N34-P36 VanDerWaalsContact C-N 3.35Å; P36-L38 PolarHBondContact O-N 3.08Å; P36-D39 WeakPolarHBondContact CA-OD2 3.29Å; P36-D39 WeakPolarHBondContact O-CB 3.44Å; P36-D39 PolarHBondContact O-N 3.35Å; P36-D39 VanDerWaalsContact O-N 3.11Å |
| 37 | K | 56.1 | Low | 69.9 | Low | 169 Ų | 169 | 71.6 Ų | 71.6 | 74% | 0.735 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -66.4 | -17.8 | 173.3 | -70.3 | -177.4 | 179.4 | 174.4 | 0 | 113.3 | N34 M35 | N34-K37 PolarHBondContact O-N 2.84Å; M35-K37 PolarHBondContact O-N 2.68Å |
| 38 | L | 53 | Low | 69.8 | Low | 26 Ų | 26 | 67.5 Ų | 67.5 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -94.2 | -4.1 | 175.1 | -74.3 | 138.9 | 0 | 0 | 0 | 113.1 | V7 Y11 M35 P36 S40 I41 | V7-L38 HydrophobicContact CG1-CD2 3.28Å; Y11-L38 HydrophobicContact CD2-CB 4.28Å; Y11-L38 HydrophobicContact CD2-CD1 3.65Å; Y11-L38 HydrophobicContact CD2-CD2 3.62Å; Y11-L38 HydrophobicContact CD2-CG 4.03Å; Y11-L38 HydrophobicContact CE2-CB 4.39Å; Y11-L38 HydrophobicContact CE2-CD1 4.3Å; Y11-L38 HydrophobicContact CE2-CD2 4.44Å; Y11-L38 HydrophobicContact CG-CD2 4.15Å; M35-L38 WeakPolarHBondContact O-CB 3.37Å; M35-L38 PolarHBondContact O-N 3.08Å; P36-L38 PolarHBondContact O-N 3.08Å; L38-S40 PolarHBondContact O-N 3.36Å; L38-I41 PolarHBondContact O-N 3.29Å |
| 39 | D | 52.8 | Low | 69.6 | Low | 86 Ų | 86 | 71 Ų | 71 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -70.7 | -17.4 | 179.2 | -74.5 | -23.2 | 0 | 0 | 0 | 113 | P36 I41 S42 K67 | P36-D39 WeakPolarHBondContact CA-OD2 3.29Å; P36-D39 WeakPolarHBondContact O-CB 3.44Å; P36-D39 PolarHBondContact O-N 3.35Å; P36-D39 VanDerWaalsContact O-N 3.11Å; D39-I41 PolarHBondContact O-N 3.39Å; D39-S42 WeakPolarHBondContact O-CB 3.36Å; D39-S42 PolarHBondContact O-N 3.4Å; D39-S42 PolarHBondContact O-OG 2.83Å; D39-K67 IonicContact OD1-NZ 3.47Å; D39-K67 PolarHBondContact OD1-NZ 3.33Å |
| 40 | S | 53.8 | Low | 69.5 | Low | 103 Ų | 103 | 62.9 Ų | 62.9 | 72% | 0.72 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -70.4 | -9.7 | 174.7 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | L38 | L38-S40 PolarHBondContact O-N 3.36Š|
| 41 | I | 56.2 | Low | 69.5 | Low | 35 Ų | 35 | 59 Ų | 59 | 18% | 0.179 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -106.7 | 30.2 | -179.9 | -36.6 | -176.6 | 0 | 0 | 0 | 111.2 | V7 L38 D39 D43 F46 | V7-I41 HydrophobicContact CB-CD1 3.91Å; V7-I41 HydrophobicContact CG1-CD1 3.29Å; V7-I41 HydrophobicContact CG2-CD1 4.21Å; L38-I41 PolarHBondContact O-N 3.29Å; D39-I41 PolarHBondContact O-N 3.39Å; I41-D43 PolarHBondContact O-N 3.11Å; I41-F46 HydrophobicContact CB-CD1 4.21Å; I41-F46 HydrophobicContact CB-CE1 4.2Å; I41-F46 HydrophobicContact CG2-CB 4.46Å; I41-F46 HydrophobicContact CG2-CD1 3.24Å; I41-F46 HydrophobicContact CG2-CD2 4.45Å; I41-F46 HydrophobicContact CG2-CE1 3.39Å; I41-F46 HydrophobicContact CG2-CG 3.8Å; I41-F46 HydrophobicContact CG2-CZ 4.1Å |
| 42 | S | 59.4 | Low | 69.6 | Low | 51 Ų | 51 | 63.2 Ų | 63.2 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | trans | -70.9 | 32.9 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | D39 R71 | D39-S42 WeakPolarHBondContact O-CB 3.36Å; D39-S42 PolarHBondContact O-N 3.4Å; D39-S42 PolarHBondContact O-OG 2.83Å; S42-R71 PolarHBondContact O-NE 2.95Å | ||
| 43 | D | 76.5 | Confident | 69.7 | Low | 92 Ų | 92 | 60.5 Ų | 60.5 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | trans | -82.7 | 129.8 | 175.7 | -162.8 | 15.1 | 0 | 0 | 0 | 109.5 | I41 E45 F46 L47 | I41-D43 PolarHBondContact O-N 3.11Å; D43-E45 VanDerWaalsContact C-N 3.29Å; D43-E45 PolarHBondContact O-N 3.48Å; D43-F46 HydrophobicContact CB-CB 4.06Å; D43-F46 WeakPolarHBondContact O-CB 3.13Å; D43-F46 PolarHBondContact O-N 3.25Å; D43-L47 PolarHBondContact O-N 3.36Å | ||
| 44 | I | 79.3 | Confident | 69.2 | Low | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | -172.5 | -69.7 | 172.7 | 0 | 0 | 0 | 109.5 | F46 L47 C48 L68 R71 I72 E75 L87 | I44-F46 VanDerWaalsContact C-N 3.29Å; I44-F46 PolarHBondContact O-N 3.47Å; I44-L47 PolarHBondContact O-N 3.49Å; I44-C48 PolarHBondContact O-N 3.12Å; I44-C48 PolarHBondContact O-SG 3.19Å; I44-C48 VanDerWaalsContact O-SG 3.36Å; I44-L68 HydrophobicContact CG2-CD1 3.86Å; I44-R71 HydrophobicContact CD1-CG 4.22Å; I44-R71 HydrophobicContact CG1-CB 4.49Å; I44-R71 HydrophobicContact CG1-CG 3.81Å; I44-I72 HydrophobicContact CD1-CG1 3.9Å; I44-I72 HydrophobicContact CG1-CG1 4.37Å; I44-E75 WeakPolarHBondContact CD1-OE2 3.47Å; I44-L87 HydrophobicContact CD1-CD1 4.48Å; I44-L87 HydrophobicContact CD1-CD2 3.72Å; I44-L87 HydrophobicContact CG2-CD2 3.79Å |
| 45 | E | 82.3 | Confident | 69 | Low | 68 Ų | 68 | 64 Ų | 64 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 178.7 | -70.6 | 78.3 | 176.9 | 0 | 0 | 111.1 | D43 H49 R83 | D43-E45 VanDerWaalsContact C-N 3.29Å; D43-E45 PolarHBondContact O-N 3.48Å; E45-H49 PolarHBondContact O-N 3.06Å; E45-R83 IonicContact OE1-CZ 3.95Å; E45-R83 IonicContact OE1-NH1 2.69Å; E45-R83 PolarHBondContact OE1-NH1 3.16Å; E45-R83 IonicContact OE1-NH2 3.77Å; E45-R83 PolarHBondContact OE1-NH2 2.67Å; E45-R83 IonicContact OE2-NH2 3.56Å; E45-R83 PolarHBondContact OE2-NH2 2.99Å |
| 46 | F | 78 | Confident | 69.1 | Low | 31 Ų | 31 | 64.1 Ų | 64.1 | 14% | 0.136 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.6 | -48.1 | 174.7 | -178.7 | -109.3 | 0 | 0 | 0 | 111.7 | N4 L8 I41 D43 I44 C48 H49 I50 | N4-F46 HydrophobicContact CB-CD2 4.5Å; N4-F46 HydrophobicContact CB-CE2 3.79Å; N4-F46 HydrophobicContact CB-CZ 4.46Å; L8-F46 HydrophobicContact CD1-CZ 4.43Å; I41-F46 HydrophobicContact CB-CD1 4.21Å; I41-F46 HydrophobicContact CB-CE1 4.2Å; I41-F46 HydrophobicContact CG2-CB 4.46Å; I41-F46 HydrophobicContact CG2-CD1 3.24Å; I41-F46 HydrophobicContact CG2-CD2 4.45Å; I41-F46 HydrophobicContact CG2-CE1 3.39Å; I41-F46 HydrophobicContact CG2-CG 3.8Å; I41-F46 HydrophobicContact CG2-CZ 4.1Å; D43-F46 HydrophobicContact CB-CB 4.06Å; D43-F46 WeakPolarHBondContact O-CB 3.13Å; D43-F46 PolarHBondContact O-N 3.25Å; I44-F46 VanDerWaalsContact C-N 3.29Å; I44-F46 PolarHBondContact O-N 3.47Å; F46-C48 VanDerWaalsContact C-N 3.31Å; F46-C48 PolarHBondContact O-N 3.27Å; F46-H49 WeakPolarHBondContact O-CA 3.37Å; F46-H49 VanDerWaalsContact O-CB 3.31Å; F46-H49 WeakPolarHBondContact O-CB 3.45Å; F46-H49 PolarHBondContact O-N 3.5Å; F46-I50 HydrophobicContact CD1-CD1 4.11Å; F46-I50 HydrophobicContact CD1-CG1 4.38Å; F46-I50 HydrophobicContact CE1-CD1 3.64Å; F46-I50 HydrophobicContact CE1-CG1 4.14Å; F46-I50 HydrophobicContact CZ-CD1 4.11Å; F46-I50 HydrophobicContact CZ-CG1 4.32Å; F46-I50 WeakPolarHBondContact O-CG1 3.44Å; F46-I50 PolarHBondContact O-N 3.08Å |
| 47 | L | 80.3 | Confident | 70 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 177.8 | -70.2 | 172.2 | 0 | 0 | 0 | 112.1 | D43 I44 H49 I50 L51 K67 L68 | D43-L47 PolarHBondContact O-N 3.36Å; I44-L47 PolarHBondContact O-N 3.49Å; L47-H49 VanDerWaalsContact C-N 3.33Å; L47-H49 PolarHBondContact O-N 3.38Å; L47-I50 HydrophobicContact CD2-CD1 4.35Å; L47-I50 WeakPolarHBondContact O-CB 3.31Å; L47-I50 PolarHBondContact O-N 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.02Å; L47-L51 VanDerWaalsContact O-N 3.12Å; L47-K67 HydrophobicContact CD1-CB 4.29Å; L47-L68 HydrophobicContact CB-CD1 4.06Å; L47-L68 HydrophobicContact CD1-CB 4.22Å; L47-L68 HydrophobicContact CD1-CD1 4.32Å |
| 48 | C | 82.1 | Confident | 71.3 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 172.5 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | I44 F46 L51 L52 | I44-C48 PolarHBondContact O-N 3.12Å; I44-C48 PolarHBondContact O-SG 3.19Å; I44-C48 VanDerWaalsContact O-SG 3.36Å; F46-C48 VanDerWaalsContact C-N 3.31Å; F46-C48 PolarHBondContact O-N 3.27Å; C48-L51 PolarHBondContact O-N 3.36Å; C48-L52 WeakPolarHBondContact O-CG 3.1Å; C48-L52 PolarHBondContact O-N 2.94Å |
| 49 | H | 78.9 | Confident | 72.4 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 62% | 0.616 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | 173.8 | -99.5 | -61.2 | 0 | 0 | 0 | 113.1 | E45 F46 L47 L51 L52 S53 | E45-H49 PolarHBondContact O-N 3.06Å; F46-H49 WeakPolarHBondContact O-CA 3.37Å; F46-H49 VanDerWaalsContact O-CB 3.31Å; F46-H49 WeakPolarHBondContact O-CB 3.45Å; F46-H49 PolarHBondContact O-N 3.5Å; L47-H49 VanDerWaalsContact C-N 3.33Å; L47-H49 PolarHBondContact O-N 3.38Å; H49-L51 VanDerWaalsContact C-N 3.33Å; H49-L51 PolarHBondContact O-N 3.39Å; H49-L52 PolarHBondContact O-N 3.43Å; H49-S53 PolarHBondContact O-N 3.42Å |
| 50 | I | 76.2 | Confident | 73.6 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 173 | -54.3 | -166 | 0 | 0 | 0 | 110 | L8 Y11 F46 L47 L52 S53 | L8-I50 HydrophobicContact CD1-CB 4.04Å; L8-I50 HydrophobicContact CD1-CD1 3.57Å; L8-I50 HydrophobicContact CD1-CG1 3.43Å; L8-I50 VanDerWaalsContact CD1-CG1 3.43Å; L8-I50 HydrophobicContact CD1-CG2 3.85Å; Y11-I50 HydrophobicContact CD1-CD1 4.2Å; Y11-I50 HydrophobicContact CE1-CD1 4.2Å; F46-I50 HydrophobicContact CD1-CD1 4.11Å; F46-I50 HydrophobicContact CD1-CG1 4.38Å; F46-I50 HydrophobicContact CE1-CD1 3.64Å; F46-I50 HydrophobicContact CE1-CG1 4.14Å; F46-I50 HydrophobicContact CZ-CD1 4.11Å; F46-I50 HydrophobicContact CZ-CG1 4.32Å; F46-I50 WeakPolarHBondContact O-CG1 3.44Å; F46-I50 PolarHBondContact O-N 3.08Å; L47-I50 HydrophobicContact CD2-CD1 4.35Å; L47-I50 WeakPolarHBondContact O-CB 3.31Å; L47-I50 PolarHBondContact O-N 3.28Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.06Å; I50-S53 WeakPolarHBondContact O-CB 3.48Å; I50-S53 PolarHBondContact O-N 3.2Å; I50-S53 VanDerWaalsContact O-N 3.08Å; I50-S53 PolarHBondContact O-OG 3.3Å |
| 51 | L | 81.3 | Confident | 75.1 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -32.7 | -177.5 | -69.6 | 171.6 | 0 | 0 | 0 | 112.2 | L47 C48 H49 S53 I61 I65 L68 L94 Y98 | L47-L51 WeakPolarHBondContact O-CG 3.36Å; L47-L51 PolarHBondContact O-N 3.02Å; L47-L51 VanDerWaalsContact O-N 3.12Å; C48-L51 PolarHBondContact O-N 3.36Å; H49-L51 VanDerWaalsContact C-N 3.33Å; H49-L51 PolarHBondContact O-N 3.39Å; L51-S53 PolarHBondContact O-N 3.41Å; L51-I61 HydrophobicContact CD2-CG2 4.25Å; L51-I65 HydrophobicContact CD1-CG1 4.04Å; L51-I65 HydrophobicContact CD2-CD1 4.5Å; L51-I65 HydrophobicContact CD2-CG1 3.87Å; L51-L68 HydrophobicContact CD1-CD2 3.73Å; L51-L94 HydrophobicContact CB-CD1 4.31Å; L51-L94 HydrophobicContact CB-CD2 4.08Å; L51-L94 HydrophobicContact CD1-CD2 3.77Å; L51-Y98 WeakPolarHBondContact CA-OH 3.48Å; L51-Y98 HydrophobicContact CB-CE2 4.36Å; L51-Y98 VanDerWaalsContact CB-OH 3.3Å; L51-Y98 WeakPolarHBondContact CB-OH 3.39Å; L51-Y98 WeakPolarHBondContact CD2-OH 3.47Å; L51-Y98 WeakPolarHBondContact O-CE2 3.46Å; L51-Y98 PolarHBondContact O-OH 2.83Å |
| 52 | L | 80.3 | Confident | 76.5 | Confident | 101 Ų | 101 | 54 Ų | 54 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.7 | -11.3 | 175.1 | -70.4 | 168.6 | 0 | 0 | 0 | 113.8 | C48 H49 I50 L94 | C48-L52 WeakPolarHBondContact O-CG 3.1Å; C48-L52 PolarHBondContact O-N 2.94Å; H49-L52 PolarHBondContact O-N 3.43Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.06Å; L52-L94 HydrophobicContact CD2-CD1 3.51Å; L52-L94 HydrophobicContact CG-CD1 3.8Å |
| 53 | S | 76.8 | Confident | 77.6 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | trans | -73.8 | 130.6 | 178.4 | 75.6 | 0 | 0 | 0 | 0 | 112.3 | H49 I50 L51 N55 S56 | H49-S53 PolarHBondContact O-N 3.42Å; I50-S53 WeakPolarHBondContact O-CB 3.48Å; I50-S53 PolarHBondContact O-N 3.2Å; I50-S53 VanDerWaalsContact O-N 3.08Å; I50-S53 PolarHBondContact O-OG 3.3Å; L51-S53 PolarHBondContact O-N 3.41Å; S53-N55 PolarHBondContact O-N 2.91Å; S53-N55 VanDerWaalsContact O-N 3.15Å; S53-S56 PolarHBondContact OG-OG 3.45Å; S53-S56 VanDerWaalsContact OG-OG 3.08Å | ||
| 54 | E | 62.3 | Low | 77.9 | Confident | 175 Ų | 175 | 50 Ų | 50 | 82% | 0.818 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.4 | -171.1 | -68.6 | -172.5 | 156.9 | 0 | 0 | 114.4 | ||
| 55 | N | 62.3 | Low | 78.4 | Confident | 127 Ų | 127 | 49.8 Ų | 49.8 | 68% | 0.679 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 19.1 | -168 | -69.9 | -26.6 | 0 | 0 | 0 | 115.8 | R16 S53 | R16-N55 PolarHBondContact NH2-O 3.41Å; R16-N55 VanDerWaalsContact NH2-O 3.13Å; S53-N55 PolarHBondContact O-N 2.91Å; S53-N55 VanDerWaalsContact O-N 3.15Å |
| 56 | S | 67.3 | Low | 78.6 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | trans | -86.5 | 120.9 | -176.4 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | S53 I61 | S53-S56 PolarHBondContact OG-OG 3.45Å; S53-S56 VanDerWaalsContact OG-OG 3.08Å; S56-I61 VanDerWaalsContact O-CD1 3.31Å; S56-I61 WeakPolarHBondContact O-CD1 3.31Å | ||
| 57 | D | 75.6 | Confident | 78.9 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 39% | 0.39 | 26% | 0.257 | S | S | . | . | trans | -72.1 | 157.9 | 173.7 | -67.7 | -35.9 | 0 | 0 | 0 | 111.8 | R16 P59 V60 I61 | R16-D57 WeakPolarHBondContact CD-OD2 3.44Å; R16-D57 WeakPolarHBondContact CG-OD2 3.3Å; R16-D57 IonicContact CZ-OD2 3.54Å; R16-D57 IonicContact NE-OD2 3.67Å; R16-D57 PolarHBondContact NE-OD2 3.49Å; R16-D57 IonicContact NH2-OD2 3.34Å; D57-P59 VanDerWaalsContact C-CD 3.46Å; D57-V60 HydrophobicContact CB-CG2 4.46Å; D57-V60 WeakPolarHBondContact O-CA 3.23Å; D57-V60 WeakPolarHBondContact O-CB 3.25Å; D57-V60 PolarHBondContact O-N 3.47Å; D57-I61 PolarHBondContact O-N 2.78Å | ||
| 58 | L | 81.9 | Confident | 79.3 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 41% | 0.414 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -51.9 | -42.7 | -176.4 | 179.4 | 62.4 | 0 | 0 | 0 | 114.5 | V60 I61 M62 P104 | L58-V60 VanDerWaalsContact C-N 3.32Å; L58-V60 PolarHBondContact O-N 3.02Å; L58-I61 PolarHBondContact O-N 3.3Å; L58-M62 HydrophobicContact CD1-CG 3.72Å; L58-M62 HydrophobicContact CD1-SD 4.26Å; L58-M62 HydrophobicContact CG-CG 4.25Å; L58-M62 WeakPolarHBondContact O-CB 3.33Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.28Å; L58-P104 HydrophobicContact CD1-CB 3.87Å; L58-P104 HydrophobicContact CD1-CG 3.94Å |
| 59 | P | 77.7 | Confident | 79.7 | Confident | 58 Ų | 58 | 50 Ų | 50 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 176.3 | -22.6 | 34.3 | 0 | 0 | 0 | 112.7 | D57 F63 | D57-P59 VanDerWaalsContact C-CD 3.46Å; P59-F63 VanDerWaalsContact O-CB 3.23Å; P59-F63 WeakPolarHBondContact O-CB 3.37Å; P59-F63 PolarHBondContact O-N 3.46Å |
| 60 | V | 77.4 | Confident | 80 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.7 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | Q12 L15 R16 D57 L58 S64 | Q12-V60 HydrophobicContact CG-CG1 4.15Å; L15-V60 HydrophobicContact CB-CG2 3.86Å; L15-V60 HydrophobicContact CD1-CB 4.45Å; L15-V60 HydrophobicContact CD1-CG1 4.1Å; R16-V60 HydrophobicContact CG-CG2 4.35Å; D57-V60 HydrophobicContact CB-CG2 4.46Å; D57-V60 WeakPolarHBondContact O-CA 3.23Å; D57-V60 WeakPolarHBondContact O-CB 3.25Å; D57-V60 PolarHBondContact O-N 3.47Å; L58-V60 VanDerWaalsContact C-N 3.32Å; L58-V60 PolarHBondContact O-N 3.02Å; V60-S64 VanDerWaalsContact O-CB 3.25Å; V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 2.92Å; V60-S64 PolarHBondContact O-OG 2.93Å |
| 61 | I | 84.7 | Confident | 80.5 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -53.8 | 177.1 | -67.8 | 174.1 | 0 | 0 | 0 | 110.2 | L51 S56 D57 L58 F63 S64 I65 Y98 A107 | L51-I61 HydrophobicContact CD2-CG2 4.25Å; S56-I61 VanDerWaalsContact O-CD1 3.31Å; S56-I61 WeakPolarHBondContact O-CD1 3.31Å; D57-I61 PolarHBondContact O-N 2.78Å; L58-I61 PolarHBondContact O-N 3.3Å; I61-F63 PolarHBondContact O-N 3.07Å; I61-S64 PolarHBondContact O-N 2.75Å; I61-I65 HydrophobicContact CG2-CD1 3.64Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CB 3.28Å; I61-I65 VanDerWaalsContact O-CG1 3.28Å; I61-I65 WeakPolarHBondContact O-CG1 3.38Å; I61-I65 PolarHBondContact O-N 3.37Å; I61-Y98 HydrophobicContact CG2-CE1 3.96Å; I61-A107 HydrophobicContact CG2-CB 3.76Å |
| 62 | M | 87.1 | Confident | 80.8 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | -175.5 | -69.9 | -55 | -57.4 | 0 | 0 | 112.1 | L58 I65 A66 A107 | L58-M62 HydrophobicContact CD1-CG 3.72Å; L58-M62 HydrophobicContact CD1-SD 4.26Å; L58-M62 HydrophobicContact CG-CG 4.25Å; L58-M62 WeakPolarHBondContact O-CB 3.33Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.28Å; M62-I65 PolarHBondContact O-N 2.96Å; M62-A66 WeakPolarHBondContact O-CB 3.43Å; M62-A66 PolarHBondContact O-N 3.43Å; M62-A107 HydrophobicContact SD-CB 4.03Å |
| 63 | F | 81.6 | Confident | 81.2 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 26% | 0.263 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 177.1 | -171.2 | -92.9 | 0 | 0 | 0 | 111.9 | Y11 L15 M35 P59 I61 A66 K67 | Y11-F63 HydrophobicContact CE2-CD1 4.37Å; Y11-F63 HydrophobicContact CE2-CE1 4.06Å; Y11-F63 AromaticContact CZ-CD1 3.83Å; Y11-F63 AromaticContact CZ-CE1 3.88Å; Y11-F63 WeakPolarHBondContact OH-CD1 3.31Å; Y11-F63 WeakPolarHBondContact OH-CE1 3.43Å; L15-F63 HydrophobicContact CD1-CB 4.23Å; L15-F63 HydrophobicContact CD1-CD1 3.74Å; L15-F63 HydrophobicContact CD1-CG 4.27Å; L15-F63 HydrophobicContact CD2-CB 3.87Å; L15-F63 HydrophobicContact CD2-CD1 3.46Å; L15-F63 VanDerWaalsContact CD2-CD1 3.46Å; L15-F63 HydrophobicContact CD2-CD2 4.08Å; L15-F63 HydrophobicContact CD2-CE1 4.02Å; L15-F63 HydrophobicContact CD2-CG 3.51Å; L15-F63 HydrophobicContact CG-CD1 4.24Å; M35-F63 HydrophobicContact CE-CD1 4.15Å; M35-F63 HydrophobicContact CE-CD2 4.16Å; M35-F63 HydrophobicContact CE-CE1 3.39Å; M35-F63 HydrophobicContact CE-CE2 3.43Å; M35-F63 VanDerWaalsContact CE-CE2 3.43Å; M35-F63 HydrophobicContact CE-CG 4.5Å; M35-F63 HydrophobicContact CE-CZ 3.01Å; M35-F63 HydrophobicContact SD-CE1 3.83Å; M35-F63 HydrophobicContact SD-CZ 3.94Å; P59-F63 VanDerWaalsContact O-CB 3.23Å; P59-F63 WeakPolarHBondContact O-CB 3.37Å; P59-F63 PolarHBondContact O-N 3.46Å; I61-F63 PolarHBondContact O-N 3.07Å; F63-A66 PolarHBondContact O-N 3.03Å; F63-K67 HydrophobicContact CD1-CG 4.49Å; F63-K67 HydrophobicContact CE1-CD 3.92Å; F63-K67 VanDerWaalsContact CE1-CE 3.48Å; F63-K67 HydrophobicContact CE1-CG 3.94Å; F63-K67 HydrophobicContact CZ-CD 4.39Å; F63-K67 HydrophobicContact CZ-CG 4.25Å; F63-K67 PolarHBondContact O-N 3.43Å |
| 64 | S | 83.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | V60 I61 A66 K67 L68 | V60-S64 VanDerWaalsContact O-CB 3.25Å; V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 2.92Å; V60-S64 PolarHBondContact O-OG 2.93Å; I61-S64 PolarHBondContact O-N 2.75Å; S64-A66 VanDerWaalsContact C-N 3.34Å; S64-K67 PolarHBondContact O-N 2.97Å; S64-L68 VanDerWaalsContact O-CB 3.28Å; S64-L68 WeakPolarHBondContact O-CB 3.5Å; S64-L68 PolarHBondContact O-N 2.97Å |
| 65 | I | 89.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 173.5 | -68.9 | 170.8 | 0 | 0 | 0 | 111 | L51 I61 M62 L68 E69 A107 K110 L111 I114 | L51-I65 HydrophobicContact CD1-CG1 4.04Å; L51-I65 HydrophobicContact CD2-CD1 4.5Å; L51-I65 HydrophobicContact CD2-CG1 3.87Å; I61-I65 HydrophobicContact CG2-CD1 3.64Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CB 3.28Å; I61-I65 VanDerWaalsContact O-CG1 3.28Å; I61-I65 WeakPolarHBondContact O-CG1 3.38Å; I61-I65 PolarHBondContact O-N 3.37Å; M62-I65 PolarHBondContact O-N 2.96Å; I65-L68 WeakPolarHBondContact O-CB 3.48Å; I65-L68 PolarHBondContact O-N 3.48Å; I65-E69 WeakPolarHBondContact O-CB 3.41Å; I65-E69 PolarHBondContact O-N 3.25Å; I65-A107 HydrophobicContact CD1-CB 3.74Å; I65-K110 HydrophobicContact CG2-CB 3.95Å; I65-K110 HydrophobicContact CG2-CG 3.43Å; I65-K110 VanDerWaalsContact CG2-CG 3.43Å; I65-L111 HydrophobicContact CD1-CD1 4.38Å; I65-L111 HydrophobicContact CD1-CD2 4.29Å; I65-L111 HydrophobicContact CD1-CG 4.02Å; I65-L111 HydrophobicContact CG1-CD2 4.08Å; I65-L111 HydrophobicContact CG1-CG 4.38Å; I65-L111 HydrophobicContact CG2-CD2 4.47Å; I65-I114 HydrophobicContact CG2-CD1 3.84Å |
| 66 | A | 87 | Confident | 84 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M62 F63 S64 E69 N70 | M62-A66 WeakPolarHBondContact O-CB 3.43Å; M62-A66 PolarHBondContact O-N 3.43Å; F63-A66 PolarHBondContact O-N 3.03Å; S64-A66 VanDerWaalsContact C-N 3.34Å; A66-E69 PolarHBondContact O-N 2.72Å; A66-N70 PolarHBondContact O-N 2.95Å |
| 67 | K | 83.2 | Confident | 84.8 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 18% | 0.183 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 173 | -79.4 | -152.8 | 173.2 | -171.3 | 0 | 111.9 | D39 L47 F63 S64 N70 R71 | D39-K67 IonicContact OD1-NZ 3.47Å; D39-K67 PolarHBondContact OD1-NZ 3.33Å; L47-K67 HydrophobicContact CD1-CB 4.29Å; F63-K67 HydrophobicContact CD1-CG 4.49Å; F63-K67 HydrophobicContact CE1-CD 3.92Å; F63-K67 VanDerWaalsContact CE1-CE 3.48Å; F63-K67 HydrophobicContact CE1-CG 3.94Å; F63-K67 HydrophobicContact CZ-CD 4.39Å; F63-K67 HydrophobicContact CZ-CG 4.25Å; F63-K67 PolarHBondContact O-N 3.43Å; S64-K67 PolarHBondContact O-N 2.97Å; K67-N70 PolarHBondContact O-N 2.75Å; K67-R71 WeakPolarHBondContact O-CB 3.32Å; K67-R71 PolarHBondContact O-N 3.06Å |
| 68 | L | 88.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 176.4 | -178.5 | 67.5 | 0 | 0 | 0 | 111.4 | I44 L47 L51 S64 I65 R71 I72 I91 L111 | I44-L68 HydrophobicContact CG2-CD1 3.86Å; L47-L68 HydrophobicContact CB-CD1 4.06Å; L47-L68 HydrophobicContact CD1-CB 4.22Å; L47-L68 HydrophobicContact CD1-CD1 4.32Å; L51-L68 HydrophobicContact CD1-CD2 3.73Å; S64-L68 VanDerWaalsContact O-CB 3.28Å; S64-L68 WeakPolarHBondContact O-CB 3.5Å; S64-L68 PolarHBondContact O-N 2.97Å; I65-L68 WeakPolarHBondContact O-CB 3.48Å; I65-L68 PolarHBondContact O-N 3.48Å; L68-R71 PolarHBondContact O-N 2.9Å; L68-I72 HydrophobicContact CD1-CD1 3.86Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 3.84Å; L68-I72 WeakPolarHBondContact O-CB 3.47Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 3.39Å; L68-I91 HydrophobicContact CD1-CD1 4.38Å; L68-I91 HydrophobicContact CD2-CD1 3.66Å; L68-I91 HydrophobicContact CG-CD1 4.25Å; L68-L111 HydrophobicContact CD2-CD2 4.3Å |
| 69 | E | 89.6 | Confident | 85.5 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 175.7 | 179.6 | 177.8 | -147.3 | 0 | 0 | 111.6 | I65 A66 R71 I72 T73 K110 I114 | I65-E69 WeakPolarHBondContact O-CB 3.41Å; I65-E69 PolarHBondContact O-N 3.25Å; A66-E69 PolarHBondContact O-N 2.72Å; E69-R71 VanDerWaalsContact C-N 3.29Å; E69-R71 PolarHBondContact O-N 3.05Å; E69-I72 PolarHBondContact O-N 3.35Å; E69-T73 WeakPolarHBondContact O-CB 3.49Å; E69-T73 PolarHBondContact O-N 3.34Å; E69-T73 PolarHBondContact O-OG1 3.35Å; E69-K110 VanDerWaalsContact CD-CE 3.47Å; E69-K110 WeakPolarHBondContact OE1-CE 3.45Å; E69-K110 IonicContact OE1-NZ 2.91Å; E69-K110 PolarHBondContact OE1-NZ 3.09Å; E69-K110 WeakPolarHBondContact OE2-CE 3.26Å; E69-K110 IonicContact OE2-NZ 3.14Å; E69-K110 PolarHBondContact OE2-NZ 3Å; E69-I114 HydrophobicContact CB-CD1 3.75Å; E69-I114 HydrophobicContact CB-CG1 3.92Å; E69-I114 HydrophobicContact CG-CD1 4.41Å; E69-I114 HydrophobicContact CG-CG1 4.03Å |
| 70 | N | 86 | Confident | 86 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 60% | 0.599 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.9 | -42.6 | -179.6 | -76.6 | -20 | 0 | 0 | 0 | 111.4 | A66 K67 T73 S74 | A66-N70 PolarHBondContact O-N 2.95Å; K67-N70 PolarHBondContact O-N 2.75Å; N70-T73 PolarHBondContact O-N 3.12Å; N70-S74 WeakPolarHBondContact O-CB 3.42Å; N70-S74 PolarHBondContact O-N 2.99Å; N70-S74 PolarHBondContact O-OG 3.26Å |
| 71 | R | 85.9 | Confident | 86.5 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 39% | 0.389 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -50.3 | -180 | -173.1 | 58.6 | 175.6 | 156.4 | 1.4 | 111.7 | S42 I44 K67 L68 E69 T73 S74 E75 | S42-R71 PolarHBondContact O-NE 2.95Å; I44-R71 HydrophobicContact CD1-CG 4.22Å; I44-R71 HydrophobicContact CG1-CB 4.49Å; I44-R71 HydrophobicContact CG1-CG 3.81Å; K67-R71 WeakPolarHBondContact O-CB 3.32Å; K67-R71 PolarHBondContact O-N 3.06Å; L68-R71 PolarHBondContact O-N 2.9Å; E69-R71 VanDerWaalsContact C-N 3.29Å; E69-R71 PolarHBondContact O-N 3.05Å; R71-T73 VanDerWaalsContact C-N 3.31Å; R71-T73 PolarHBondContact O-N 3.46Å; R71-S74 PolarHBondContact O-N 2.96Å; R71-S74 VanDerWaalsContact O-N 3.14Å; R71-S74 PolarHBondContact O-OG 3.12Å; R71-E75 PolarHBondContact O-N 3.03Å; R71-E75 VanDerWaalsContact O-N 3.07Å |
| 72 | I | 88.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 177 | -71.1 | 171.1 | 0 | 0 | 0 | 110.1 | I44 L68 E69 S74 E75 L76 I91 I114 I118 | I44-I72 HydrophobicContact CD1-CG1 3.9Å; I44-I72 HydrophobicContact CG1-CG1 4.37Å; L68-I72 HydrophobicContact CD1-CD1 3.86Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 3.84Å; L68-I72 WeakPolarHBondContact O-CB 3.47Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 3.39Å; E69-I72 PolarHBondContact O-N 3.35Å; I72-S74 PolarHBondContact O-N 2.98Å; I72-E75 PolarHBondContact O-N 3.03Å; I72-E75 VanDerWaalsContact O-N 3.09Å; I72-L76 HydrophobicContact CG2-CD1 3.72Å; I72-L76 HydrophobicContact CG2-CG 3.89Å; I72-L76 WeakPolarHBondContact O-CB 3.46Å; I72-L76 VanDerWaalsContact O-CG 3.22Å; I72-L76 WeakPolarHBondContact O-CG 3.49Å; I72-L76 PolarHBondContact O-N 3.43Å; I72-I91 HydrophobicContact CD1-CD1 3.87Å; I72-I91 HydrophobicContact CD1-CG1 3.9Å; I72-I114 HydrophobicContact CD1-CG2 3.74Å; I72-I114 HydrophobicContact CG2-CG2 4.31Å; I72-I118 HydrophobicContact CD1-CD1 4.47Å; I72-I118 HydrophobicContact CG2-CD1 3.99Å; I72-I118 HydrophobicContact CG2-CG1 3.67Å |
| 73 | T | 87.6 | Confident | 87 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -33.5 | 180 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | E69 N70 R71 P77 T166 | E69-T73 WeakPolarHBondContact O-CB 3.49Å; E69-T73 PolarHBondContact O-N 3.34Å; E69-T73 PolarHBondContact O-OG1 3.35Å; N70-T73 PolarHBondContact O-N 3.12Å; R71-T73 VanDerWaalsContact C-N 3.31Å; R71-T73 PolarHBondContact O-N 3.46Å; T73-P77 WeakPolarHBondContact O-CD 3.19Å; T73-T166 HydrophobicContact CG2-CG2 3.62Å |
| 74 | S | 85.7 | Confident | 87.4 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.7 | -31.9 | 174.9 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | N70 R71 I72 | N70-S74 WeakPolarHBondContact O-CB 3.42Å; N70-S74 PolarHBondContact O-N 2.99Å; N70-S74 PolarHBondContact O-OG 3.26Å; R71-S74 PolarHBondContact O-N 2.96Å; R71-S74 VanDerWaalsContact O-N 3.14Å; R71-S74 PolarHBondContact O-OG 3.12Å; I72-S74 PolarHBondContact O-N 2.98Å |
| 75 | E | 88.7 | Confident | 87.8 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -84 | -33.4 | -178.2 | -171.1 | 179.1 | 146.8 | 0 | 0 | 112.2 | I44 R71 I72 P77 F78 A79 R83 | I44-E75 WeakPolarHBondContact CD1-OE2 3.47Å; R71-E75 PolarHBondContact O-N 3.03Å; R71-E75 VanDerWaalsContact O-N 3.07Å; I72-E75 PolarHBondContact O-N 3.03Å; I72-E75 VanDerWaalsContact O-N 3.09Å; E75-P77 VanDerWaalsContact C-CD 3.47Å; E75-F78 PolarHBondContact O-N 3.41Å; E75-A79 HydrophobicContact CG-CB 4.4Å; E75-A79 PolarHBondContact O-N 3.45Å; E75-A79 VanDerWaalsContact O-N 3.08Å; E75-R83 WeakPolarHBondContact OE1-CG 3.46Å; E75-R83 IonicContact OE1-CZ 3.57Å; E75-R83 IonicContact OE1-NE 2.9Å; E75-R83 PolarHBondContact OE1-NE 2.98Å; E75-R83 VanDerWaalsContact OE1-NE 3.08Å; E75-R83 IonicContact OE1-NH2 2.67Å |
| 76 | L | 87.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -51.3 | -43.3 | -172 | -85.4 | 171.5 | 0 | 0 | 0 | 115.9 | I72 F78 A79 R84 I118 H121 | I72-L76 HydrophobicContact CG2-CD1 3.72Å; I72-L76 HydrophobicContact CG2-CG 3.89Å; I72-L76 WeakPolarHBondContact O-CB 3.46Å; I72-L76 VanDerWaalsContact O-CG 3.22Å; I72-L76 WeakPolarHBondContact O-CG 3.49Å; I72-L76 PolarHBondContact O-N 3.43Å; L76-F78 PolarHBondContact O-N 3.07Å; L76-A79 PolarHBondContact O-N 2.68Å; L76-R84 HydrophobicContact CD2-CG 4.16Å; L76-I118 HydrophobicContact CD1-CG1 4.12Å; L76-I118 HydrophobicContact CD2-CB 4.18Å; L76-I118 HydrophobicContact CD2-CG1 4.09Å; L76-I118 HydrophobicContact CD2-CG2 3.96Å; L76-H121 HydrophobicContact CB-CB 4.34Å; L76-H121 HydrophobicContact CD2-CB 4.13Å |
| 77 | P | 83.9 | Confident | 88.2 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -64 | -22.7 | -179.1 | -23.9 | 35.5 | 0 | 0 | 0 | 114.2 | T73 E75 T166 | T73-P77 WeakPolarHBondContact O-CD 3.19Å; E75-P77 VanDerWaalsContact C-CD 3.47Å; P77-T166 HydrophobicContact CG-CG2 4.42Å |
| 78 | F | 85.5 | Confident | 88.7 | Confident | 182 Ų | 182 | 63.6 Ų | 63.6 | 80% | 0.798 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -112.9 | -5.7 | -174.1 | -50.3 | -72.3 | 0 | 0 | 0 | 113 | E75 L76 | E75-F78 PolarHBondContact O-N 3.41Å; L76-F78 PolarHBondContact O-N 3.07Å |
| 79 | A | 86.6 | Confident | 89 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | trans | -75 | 133.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E75 L76 R83 R84 | E75-A79 HydrophobicContact CG-CB 4.4Å; E75-A79 PolarHBondContact O-N 3.45Å; E75-A79 VanDerWaalsContact O-N 3.08Å; L76-A79 PolarHBondContact O-N 2.68Å; A79-R83 HydrophobicContact CB-CB 4.38Å; A79-R83 HydrophobicContact CB-CG 4.33Å; A79-R84 HydrophobicContact CB-CG 3.79Å; A79-R84 PolarHBondContact O-NE 3.08Å | ||
| 80 | E | 88.6 | Confident | 89.1 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | trans | -61.6 | 152.9 | 171.3 | -67.7 | -172.4 | 176.5 | 0 | 0 | 111.6 | Q82 R83 R84 | E80-Q82 PolarHBondContact O-N 3.14Å; E80-Q82 VanDerWaalsContact O-N 3.13Å; E80-R83 PolarHBondContact O-N 3.38Å; E80-R84 PolarHBondContact O-N 3.09Å | ||
| 81 | P | 87.2 | Confident | 89.6 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -51.1 | -39.5 | 179.8 | -23.4 | 29 | 0 | 0 | 0 | 114 | R83 R84 R85 | P81-R83 PolarHBondContact O-N 3.49Å; P81-R84 PolarHBondContact O-N 3.26Å; P81-R85 WeakPolarHBondContact O-CG 3.32Å; P81-R85 PolarHBondContact O-N 3.44Å |
| 82 | Q | 90.3 | Very high | 90 | Very high | 147 Ų | 147 | 60.3 Ų | 60.3 | 69% | 0.687 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 178.2 | -64.9 | -177.5 | 1.7 | 0 | 0 | 112.3 | E80 R85 H86 | E80-Q82 PolarHBondContact O-N 3.14Å; E80-Q82 VanDerWaalsContact O-N 3.13Å; Q82-R85 PolarHBondContact O-N 3.23Å; Q82-H86 PolarHBondContact O-N 3.05Å |
| 83 | R | 91.7 | Very high | 90.2 | Very high | 71 Ų | 71 | 64.7 Ų | 64.7 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 176.1 | -176.1 | 61.5 | 175.3 | 171.6 | 3 | 110.7 | E45 E75 A79 E80 P81 R85 H86 L87 | E45-R83 IonicContact OE1-CZ 3.95Å; E45-R83 IonicContact OE1-NH1 2.69Å; E45-R83 PolarHBondContact OE1-NH1 3.16Å; E45-R83 IonicContact OE1-NH2 3.77Å; E45-R83 PolarHBondContact OE1-NH2 2.67Å; E45-R83 IonicContact OE2-NH2 3.56Å; E45-R83 PolarHBondContact OE2-NH2 2.99Å; E75-R83 WeakPolarHBondContact OE1-CG 3.46Å; E75-R83 IonicContact OE1-CZ 3.57Å; E75-R83 IonicContact OE1-NE 2.9Å; E75-R83 PolarHBondContact OE1-NE 2.98Å; E75-R83 VanDerWaalsContact OE1-NE 3.08Å; E75-R83 IonicContact OE1-NH2 2.67Å; A79-R83 HydrophobicContact CB-CB 4.38Å; A79-R83 HydrophobicContact CB-CG 4.33Å; E80-R83 PolarHBondContact O-N 3.38Å; P81-R83 PolarHBondContact O-N 3.49Å; R83-R85 PolarHBondContact O-N 3.5Å; R83-H86 PolarHBondContact O-N 3.01Å; R83-L87 HydrophobicContact CG-CD1 4.21Å; R83-L87 HydrophobicContact CG-CG 4.43Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 2.83Å |
| 84 | R | 90.9 | Very high | 90.4 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 11% | 0.106 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 174.9 | -69.2 | -175.6 | -73.6 | 172.3 | 8.8 | 111.8 | L76 A79 E80 P81 L87 F88 I118 H121 D123 | L76-R84 HydrophobicContact CD2-CG 4.16Å; A79-R84 HydrophobicContact CB-CG 3.79Å; A79-R84 PolarHBondContact O-NE 3.08Å; E80-R84 PolarHBondContact O-N 3.09Å; P81-R84 PolarHBondContact O-N 3.26Å; R84-L87 PolarHBondContact O-N 3.21Å; R84-F88 WeakPolarHBondContact O-CB 3.37Å; R84-F88 PolarHBondContact O-N 3.49Å; R84-I118 WeakPolarHBondContact O-CG2 3.46Å; R84-H121 PolarHBondContact NH1-O 3.37Å; R84-D123 IonicContact CZ-OD1 2.67Å; R84-D123 IonicContact NH1-OD1 2.78Å; R84-D123 IonicContact NH2-OD1 3.45Å; R84-D123 PolarHBondContact NH2-OD1 2.92Å; R84-D123 IonicContact NH2-OD2 3.33Å |
| 85 | R | 90.8 | Very high | 90.8 | Very high | 119 Ų | 119 | 60.8 Ų | 60.8 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.3 | -71.6 | -177.4 | -165.8 | 141.4 | 1.8 | 112.6 | P81 Q82 R83 F88 Q89 D126 | P81-R85 WeakPolarHBondContact O-CG 3.32Å; P81-R85 PolarHBondContact O-N 3.44Å; Q82-R85 PolarHBondContact O-N 3.23Å; R83-R85 PolarHBondContact O-N 3.5Å; R85-F88 PolarHBondContact O-N 2.99Å; R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.32Å; R85-D126 IonicContact CZ-OD1 3.64Å; R85-D126 VanDerWaalsContact CZ-OD1 3.29Å; R85-D126 IonicContact CZ-OD2 3.89Å; R85-D126 IonicContact NE-OD1 3Å; R85-D126 PolarHBondContact NE-OD1 2.86Å; R85-D126 IonicContact NE-OD2 2.7Å; R85-D126 PolarHBondContact NE-OD2 3.28Å; R85-D126 IonicContact NH2-OD1 3.42Å; R85-D126 PolarHBondContact NH2-OD1 3.16Å; R85-D126 IonicContact NH2-OD2 2.75Å |
| 86 | H | 92.7 | Very high | 91.1 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 178.2 | -176.5 | 65.3 | 0 | 0 | 0 | 112.5 | Q82 R83 Q89 T90 | Q82-H86 PolarHBondContact O-N 3.05Å; R83-H86 PolarHBondContact O-N 3.01Å; H86-Q89 PolarHBondContact O-N 3.28Å; H86-T90 WeakPolarHBondContact O-CB 3.5Å; H86-T90 PolarHBondContact O-N 2.89Å; H86-T90 PolarHBondContact O-OG1 3.29Å |
| 87 | L | 92.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175.3 | -70.7 | 175.6 | 0 | 0 | 0 | 111 | I44 R83 R84 Q89 T90 I91 I118 | I44-L87 HydrophobicContact CD1-CD1 4.48Å; I44-L87 HydrophobicContact CD1-CD2 3.72Å; I44-L87 HydrophobicContact CG2-CD2 3.79Å; R83-L87 HydrophobicContact CG-CD1 4.21Å; R83-L87 HydrophobicContact CG-CG 4.43Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 2.83Å; R84-L87 PolarHBondContact O-N 3.21Å; L87-Q89 VanDerWaalsContact C-N 3.35Å; L87-Q89 PolarHBondContact O-N 3.08Å; L87-T90 PolarHBondContact O-N 3.47Å; L87-I91 WeakPolarHBondContact O-CG1 3.28Å; L87-I91 PolarHBondContact O-N 3.33Å; L87-I118 HydrophobicContact CB-CD1 4.16Å |
| 88 | F | 94.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.3 | -51.6 | 175.6 | 169.2 | -100.4 | 0 | 0 | 0 | 111.2 | R84 R85 T90 I91 F92 A115 I118 Y130 M133 | R84-F88 WeakPolarHBondContact O-CB 3.37Å; R84-F88 PolarHBondContact O-N 3.49Å; R85-F88 PolarHBondContact O-N 2.99Å; F88-T90 VanDerWaalsContact C-N 3.3Å; F88-T90 PolarHBondContact O-N 2.9Å; F88-I91 PolarHBondContact O-N 2.97Å; F88-F92 HydrophobicContact CE1-CB 4.37Å; F88-F92 HydrophobicContact CE2-CB 4.36Å; F88-F92 HydrophobicContact CE2-CD2 4.42Å; F88-F92 HydrophobicContact CZ-CB 4.12Å; F88-F92 AromaticContact CZ-CD2 3.95Å; F88-F92 HydrophobicContact CZ-CD2 3.95Å; F88-F92 HydrophobicContact CZ-CG 4.18Å; F88-F92 WeakPolarHBondContact O-CB 3.39Å; F88-F92 PolarHBondContact O-N 3.28Å; F88-A115 HydrophobicContact CD2-CB 4.35Å; F88-A115 HydrophobicContact CE2-CB 4.25Å; F88-I118 HydrophobicContact CB-CG2 3.86Å; F88-Y130 HydrophobicContact CE1-CD2 4.46Å; F88-Y130 AromaticContact CE2-CD2 3.5Å; F88-Y130 HydrophobicContact CE2-CD2 3.5Å; F88-Y130 VanDerWaalsContact CE2-CD2 3.5Å; F88-Y130 AromaticContact CE2-CE2 3.45Å; F88-Y130 HydrophobicContact CE2-CE2 3.45Å; F88-Y130 VanDerWaalsContact CE2-CE2 3.45Å; F88-Y130 AromaticContact CZ-CD2 3.4Å; F88-Y130 HydrophobicContact CZ-CD2 3.4Å; F88-Y130 VanDerWaalsContact CZ-CD2 3.4Å; F88-Y130 AromaticContact CZ-CE2 3.64Å; F88-Y130 HydrophobicContact CZ-CE2 3.64Å; F88-M133 HydrophobicContact CZ-CE 4.12Å |
| 89 | Q | 94 | Very high | 91.8 | Very high | 119 Ų | 119 | 54.6 Ų | 54.6 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.6 | -37.1 | -175.3 | -149 | 153.4 | 18.8 | 0 | 0 | 112 | R85 H86 L87 N93 | R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.32Å; H86-Q89 PolarHBondContact O-N 3.28Å; L87-Q89 VanDerWaalsContact C-N 3.35Å; L87-Q89 PolarHBondContact O-N 3.08Å; Q89-N93 WeakPolarHBondContact O-CB 3.21Å; Q89-N93 PolarHBondContact O-N 3.44Å; Q89-N93 PolarHBondContact O-ND2 2.95Å; Q89-N93 VanDerWaalsContact O-ND2 3.16Å |
| 90 | T | 92.8 | Very high | 91.9 | Very high | 45 Ų | 45 | 58.9 Ų | 58.9 | 28% | 0.276 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -50.7 | 175.6 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | H86 L87 F88 N93 L94 | H86-T90 WeakPolarHBondContact O-CB 3.5Å; H86-T90 PolarHBondContact O-N 2.89Å; H86-T90 PolarHBondContact O-OG1 3.29Å; L87-T90 PolarHBondContact O-N 3.47Å; F88-T90 VanDerWaalsContact C-N 3.3Å; F88-T90 PolarHBondContact O-N 2.9Å; T90-N93 PolarHBondContact O-N 2.91Å; T90-L94 WeakPolarHBondContact O-CB 3.4Å; T90-L94 PolarHBondContact O-N 2.77Å |
| 91 | I | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69 | -38.3 | -179.2 | -60.9 | -57.1 | 0 | 0 | 0 | 111.7 | L68 I72 L87 F88 L94 S95 L111 I114 A115 I118 | L68-I91 HydrophobicContact CD1-CD1 4.38Å; L68-I91 HydrophobicContact CD2-CD1 3.66Å; L68-I91 HydrophobicContact CG-CD1 4.25Å; I72-I91 HydrophobicContact CD1-CD1 3.87Å; I72-I91 HydrophobicContact CD1-CG1 3.9Å; L87-I91 WeakPolarHBondContact O-CG1 3.28Å; L87-I91 PolarHBondContact O-N 3.33Å; F88-I91 PolarHBondContact O-N 2.97Å; I91-L94 PolarHBondContact O-N 3.42Å; I91-S95 WeakPolarHBondContact O-CB 3.4Å; I91-S95 PolarHBondContact O-N 3.28Å; I91-S95 PolarHBondContact O-OG 2.95Å; I91-L111 WeakPolarHBondContact CG2-O 3.37Å; I91-I114 HydrophobicContact CG1-CG2 4.35Å; I91-I114 HydrophobicContact CG2-CB 4.21Å; I91-I114 HydrophobicContact CG2-CG2 4.08Å; I91-A115 HydrophobicContact CG2-CB 4.08Å; I91-I118 HydrophobicContact CB-CD1 4.39Å; I91-I118 HydrophobicContact CG1-CD1 4.04Å |
| 92 | F | 94.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 175.4 | 178.7 | -92.2 | 0 | 0 | 0 | 110.9 | F88 L94 S95 H96 M133 M137 F146 L150 | F88-F92 HydrophobicContact CE1-CB 4.37Å; F88-F92 HydrophobicContact CE2-CB 4.36Å; F88-F92 HydrophobicContact CE2-CD2 4.42Å; F88-F92 HydrophobicContact CZ-CB 4.12Å; F88-F92 AromaticContact CZ-CD2 3.95Å; F88-F92 HydrophobicContact CZ-CD2 3.95Å; F88-F92 HydrophobicContact CZ-CG 4.18Å; F88-F92 WeakPolarHBondContact O-CB 3.39Å; F88-F92 PolarHBondContact O-N 3.28Å; F92-L94 VanDerWaalsContact C-N 3.31Å; F92-L94 PolarHBondContact O-N 3.08Å; F92-S95 PolarHBondContact O-N 3.43Å; F92-S95 PolarHBondContact O-OG 2.99Å; F92-H96 PolarHBondContact O-N 3.49Å; F92-M133 HydrophobicContact CD2-CE 3.98Å; F92-M133 HydrophobicContact CE1-SD 4.36Å; F92-M133 HydrophobicContact CE2-CE 3.31Å; F92-M133 HydrophobicContact CE2-SD 4.15Å; F92-M133 HydrophobicContact CZ-CE 3.65Å; F92-M133 HydrophobicContact CZ-SD 3.91Å; F92-M137 HydrophobicContact CZ-CE 4.07Å; F92-M137 HydrophobicContact CZ-SD 3.84Å; F92-F146 AromaticContact CE2-CE1 3.83Å; F92-F146 HydrophobicContact CE2-CE1 3.83Å; F92-F146 HydrophobicContact CE2-CZ 4.36Å; F92-F146 AromaticContact CZ-CE1 3.92Å; F92-F146 HydrophobicContact CZ-CE1 3.92Å; F92-L150 HydrophobicContact CD2-CD2 4.08Å; F92-L150 HydrophobicContact CE2-CD2 3.56Å |
| 93 | N | 93.3 | Very high | 91.7 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 49% | 0.492 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.8 | -71 | -19.8 | 0 | 0 | 0 | 112 | Q89 T90 H96 S97 | Q89-N93 WeakPolarHBondContact O-CB 3.21Å; Q89-N93 PolarHBondContact O-N 3.44Å; Q89-N93 PolarHBondContact O-ND2 2.95Å; Q89-N93 VanDerWaalsContact O-ND2 3.16Å; T90-N93 PolarHBondContact O-N 2.91Å; N93-H96 PolarHBondContact O-N 3.42Å; N93-S97 WeakPolarHBondContact O-CB 3.43Å; N93-S97 PolarHBondContact O-N 3.37Å |
| 94 | L | 92.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.6 | -172.8 | 64.2 | 0 | 0 | 0 | 111 | L51 L52 T90 I91 F92 H96 S97 Y98 L111 | L51-L94 HydrophobicContact CB-CD1 4.31Å; L51-L94 HydrophobicContact CB-CD2 4.08Å; L51-L94 HydrophobicContact CD1-CD2 3.77Å; L52-L94 HydrophobicContact CD2-CD1 3.51Å; L52-L94 HydrophobicContact CG-CD1 3.8Å; T90-L94 WeakPolarHBondContact O-CB 3.4Å; T90-L94 PolarHBondContact O-N 2.77Å; I91-L94 PolarHBondContact O-N 3.42Å; F92-L94 VanDerWaalsContact C-N 3.31Å; F92-L94 PolarHBondContact O-N 3.08Å; L94-H96 VanDerWaalsContact C-N 3.32Å; L94-H96 PolarHBondContact O-N 3.34Å; L94-S97 PolarHBondContact O-N 3.48Å; L94-S97 PolarHBondContact O-OG 3.26Å; L94-Y98 HydrophobicContact CD1-CD2 3.96Å; L94-Y98 HydrophobicContact CD1-CE2 3.69Å; L94-Y98 HydrophobicContact CG-CD2 4.23Å; L94-Y98 HydrophobicContact CG-CE2 4.19Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 3.37Å; L94-L111 HydrophobicContact CD2-CD1 4.34Å; L94-L111 HydrophobicContact CD2-CD2 3.97Å; L94-L111 HydrophobicContact CG-CD1 4.12Å |
| 95 | S | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 178.3 | 75.3 | 0 | 0 | 0 | 0 | 112.4 | I91 F92 Y98 D99 F146 | I91-S95 WeakPolarHBondContact O-CB 3.4Å; I91-S95 PolarHBondContact O-N 3.28Å; I91-S95 PolarHBondContact O-OG 2.95Å; F92-S95 PolarHBondContact O-N 3.43Å; F92-S95 PolarHBondContact O-OG 2.99Å; S95-Y98 PolarHBondContact O-N 3.48Å; S95-D99 PolarHBondContact O-N 3.19Å; S95-F146 WeakPolarHBondContact OG-CZ 3.42Å |
| 96 | H | 93.4 | Very high | 91.3 | Very high | 72 Ų | 72 | 54 Ų | 54 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 176 | -177.7 | -93.3 | 0 | 0 | 0 | 111.6 | F92 N93 L94 Y98 D99 V100 F146 | F92-H96 PolarHBondContact O-N 3.49Å; N93-H96 PolarHBondContact O-N 3.42Å; L94-H96 VanDerWaalsContact C-N 3.32Å; L94-H96 PolarHBondContact O-N 3.34Å; H96-Y98 VanDerWaalsContact C-N 3.26Å; H96-Y98 PolarHBondContact O-N 2.97Å; H96-D99 PolarHBondContact O-N 2.72Å; H96-V100 WeakPolarHBondContact O-CG2 2.97Å; H96-V100 PolarHBondContact O-N 3.25Å; H96-F146 VanDerWaalsContact CA-CE2 3.42Å; H96-F146 HydrophobicContact CB-CE1 4.31Å; H96-F146 HydrophobicContact CB-CE2 3.98Å; H96-F146 HydrophobicContact CB-CZ 3.82Å; H96-F146 AromaticContact CD2-CD1 3.89Å; H96-F146 AromaticContact CD2-CG 3.92Å |
| 97 | S | 91.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 176.9 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | N93 L94 A101 | N93-S97 WeakPolarHBondContact O-CB 3.43Å; N93-S97 PolarHBondContact O-N 3.37Å; L94-S97 PolarHBondContact O-N 3.48Å; L94-S97 PolarHBondContact O-OG 3.26Å; S97-A101 WeakPolarHBondContact O-CB 3.31Å; S97-A101 PolarHBondContact O-N 3.3Å |
| 98 | Y | 91.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 177.9 | -95.3 | -122.6 | 0 | 0 | 0 | 112.6 | L51 I61 L94 S95 H96 A101 G102 K103 A107 L111 | L51-Y98 WeakPolarHBondContact CA-OH 3.48Å; L51-Y98 HydrophobicContact CB-CE2 4.36Å; L51-Y98 VanDerWaalsContact CB-OH 3.3Å; L51-Y98 WeakPolarHBondContact CB-OH 3.39Å; L51-Y98 WeakPolarHBondContact CD2-OH 3.47Å; L51-Y98 WeakPolarHBondContact O-CE2 3.46Å; L51-Y98 PolarHBondContact O-OH 2.83Å; I61-Y98 HydrophobicContact CG2-CE1 3.96Å; L94-Y98 HydrophobicContact CD1-CD2 3.96Å; L94-Y98 HydrophobicContact CD1-CE2 3.69Å; L94-Y98 HydrophobicContact CG-CD2 4.23Å; L94-Y98 HydrophobicContact CG-CE2 4.19Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 3.37Å; S95-Y98 PolarHBondContact O-N 3.48Å; H96-Y98 VanDerWaalsContact C-N 3.26Å; H96-Y98 PolarHBondContact O-N 2.97Å; Y98-A101 PolarHBondContact O-N 3.39Å; Y98-G102 PolarHBondContact O-N 3.39Å; Y98-K103 HydrophobicContact CD1-CB 3.62Å; Y98-K103 HydrophobicContact CD1-CG 3.8Å; Y98-K103 HydrophobicContact CE1-CB 4.29Å; Y98-K103 HydrophobicContact CE1-CG 4.23Å; Y98-K103 HydrophobicContact CG-CB 4.12Å; Y98-K103 HydrophobicContact CG-CG 4.02Å; Y98-K103 WeakPolarHBondContact O-CB 3.36Å; Y98-K103 PolarHBondContact O-N 3.46Å; Y98-A107 HydrophobicContact CD1-CB 4.43Å; Y98-A107 HydrophobicContact CE1-CB 4.49Å; Y98-L111 HydrophobicContact CD1-CD1 4Å; Y98-L111 HydrophobicContact CD2-CD1 4.34Å; Y98-L111 HydrophobicContact CE1-CD1 4.38Å; Y98-L111 HydrophobicContact CG-CD1 3.98Å |
| 99 | D | 90.5 | Very high | 91.3 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 19% | 0.187 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -44 | 177.3 | -161.3 | 54.1 | 0 | 0 | 0 | 110.9 | S95 H96 A101 G102 V108 F146 K149 | S95-D99 PolarHBondContact O-N 3.19Å; H96-D99 PolarHBondContact O-N 2.72Å; D99-A101 VanDerWaalsContact C-N 3.33Å; D99-A101 PolarHBondContact O-N 2.91Å; D99-G102 PolarHBondContact O-N 3.29Å; D99-G102 VanDerWaalsContact O-N 3.13Å; D99-V108 HydrophobicContact CB-CG1 3.97Å; D99-V108 HydrophobicContact CB-CG2 4.43Å; D99-F146 HydrophobicContact CB-CD2 3.73Å; D99-F146 HydrophobicContact CB-CE2 4.2Å; D99-K149 IonicContact OD1-NZ 3.97Å; D99-K149 PolarHBondContact OD1-NZ 2.89Å; D99-K149 IonicContact OD2-NZ 3.98Å; D99-K149 PolarHBondContact OD2-NZ 3.46Å |
| 100 | V | 89.1 | Confident | 91.3 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 65% | 0.648 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.9 | -38.3 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | H96 G102 | H96-V100 WeakPolarHBondContact O-CG2 2.97Å; H96-V100 PolarHBondContact O-N 3.25Å; V100-G102 PolarHBondContact O-N 3.29Å |
| 101 | A | 87.7 | Confident | 91.4 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 0.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S97 Y98 D99 K103 | S97-A101 WeakPolarHBondContact O-CB 3.31Å; S97-A101 PolarHBondContact O-N 3.3Å; Y98-A101 PolarHBondContact O-N 3.39Å; D99-A101 VanDerWaalsContact C-N 3.33Å; D99-A101 PolarHBondContact O-N 2.91Å; A101-K103 VanDerWaalsContact C-N 3.27Å; A101-K103 HydrophobicContact CB-CG 4.15Å; A101-K103 PolarHBondContact O-N 3.39Å |
| 102 | G | 85.2 | Confident | 91.5 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 66% | 0.66 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 28.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y98 D99 V100 | Y98-G102 PolarHBondContact O-N 3.39Å; D99-G102 PolarHBondContact O-N 3.29Å; D99-G102 VanDerWaalsContact O-N 3.13Å; V100-G102 PolarHBondContact O-N 3.29Å |
| 103 | K | 87.4 | Confident | 91.5 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 27% | 0.274 | 28% | 0.279 | S | S | . | . | trans | -66.9 | 160.3 | 176.1 | -64.9 | -69.3 | -173.1 | 177.9 | 0 | 110.3 | Y98 A101 I105 | Y98-K103 HydrophobicContact CD1-CB 3.62Å; Y98-K103 HydrophobicContact CD1-CG 3.8Å; Y98-K103 HydrophobicContact CE1-CB 4.29Å; Y98-K103 HydrophobicContact CE1-CG 4.23Å; Y98-K103 HydrophobicContact CG-CB 4.12Å; Y98-K103 HydrophobicContact CG-CG 4.02Å; Y98-K103 WeakPolarHBondContact O-CB 3.36Å; Y98-K103 PolarHBondContact O-N 3.46Å; A101-K103 VanDerWaalsContact C-N 3.27Å; A101-K103 HydrophobicContact CB-CG 4.15Å; A101-K103 PolarHBondContact O-N 3.39Å; K103-I105 PolarHBondContact O-N 3Å | ||
| 104 | P | 87.9 | Confident | 91.5 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 33% | 0.331 | 26% | 0.256 | S | S | . | . | trans | -53.7 | 132.4 | -175.2 | -30.5 | 39 | 0 | 0 | 0 | 113.7 | L58 C106 A107 V108 | L58-P104 HydrophobicContact CD1-CB 3.87Å; L58-P104 HydrophobicContact CD1-CG 3.94Å; P104-C106 PolarHBondContact O-N 2.72Å; P104-C106 VanDerWaalsContact O-N 3.12Å; P104-A107 WeakPolarHBondContact O-CB 3.39Å; P104-A107 PolarHBondContact O-N 2.8Å; P104-V108 PolarHBondContact O-N 3.33Å | ||
| 105 | I | 87.9 | Confident | 91.5 | Very high | 141 Ų | 141 | 43.8 Ų | 43.8 | 72% | 0.723 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -55.9 | -35.7 | -173.1 | -61.4 | 171.3 | 0 | 0 | 0 | 112.2 | K103 A107 V108 R109 | K103-I105 PolarHBondContact O-N 3Å; I105-A107 VanDerWaalsContact C-N 3.32Å; I105-A107 PolarHBondContact O-N 3.46Å; I105-V108 PolarHBondContact O-N 3.29Å; I105-R109 WeakPolarHBondContact O-CB 3.41Å; I105-R109 PolarHBondContact O-N 3.37Å |
| 106 | C | 90.5 | Very high | 91.5 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 178.1 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | P104 K110 | P104-C106 PolarHBondContact O-N 2.72Å; P104-C106 VanDerWaalsContact O-N 3.12Å; C106-K110 WeakPolarHBondContact O-CB 3.36Å; C106-K110 PolarHBondContact O-N 2.84Å; C106-K110 VanDerWaalsContact O-N 3.1Å |
| 107 | A | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I61 M62 I65 Y98 P104 I105 R109 K110 L111 | I61-A107 HydrophobicContact CG2-CB 3.76Å; M62-A107 HydrophobicContact SD-CB 4.03Å; I65-A107 HydrophobicContact CD1-CB 3.74Å; Y98-A107 HydrophobicContact CD1-CB 4.43Å; Y98-A107 HydrophobicContact CE1-CB 4.49Å; P104-A107 WeakPolarHBondContact O-CB 3.39Å; P104-A107 PolarHBondContact O-N 2.8Å; I105-A107 VanDerWaalsContact C-N 3.32Å; I105-A107 PolarHBondContact O-N 3.46Å; A107-R109 PolarHBondContact O-N 2.99Å; A107-K110 PolarHBondContact O-N 3.16Å; A107-L111 WeakPolarHBondContact O-CG 3.21Å; A107-L111 PolarHBondContact O-N 3.42Å |
| 108 | V | 93.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.6 | -51.6 | 175.2 | 180 | 0 | 0 | 0 | 0 | 110.4 | D99 P104 I105 K110 L111 M112 | D99-V108 HydrophobicContact CB-CG1 3.97Å; D99-V108 HydrophobicContact CB-CG2 4.43Å; P104-V108 PolarHBondContact O-N 3.33Å; I105-V108 PolarHBondContact O-N 3.29Å; V108-K110 VanDerWaalsContact C-N 3.25Å; V108-K110 PolarHBondContact O-N 2.9Å; V108-L111 PolarHBondContact O-N 3.4Å; V108-M112 HydrophobicContact CG1-CE 3.64Å; V108-M112 HydrophobicContact CG1-CG 4.48Å; V108-M112 HydrophobicContact CG1-SD 4.09Å; V108-M112 WeakPolarHBondContact O-CG 3.36Å; V108-M112 PolarHBondContact O-N 3.01Å |
| 109 | R | 94.4 | Very high | 91.4 | Very high | 128 Ų | 128 | 38.8 Ų | 38.8 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57 | -40 | 178.7 | -171.4 | -178.5 | -177.8 | 169.7 | -0.1 | 111.8 | I105 A107 M112 S113 V153 E156 | I105-R109 WeakPolarHBondContact O-CB 3.41Å; I105-R109 PolarHBondContact O-N 3.37Å; A107-R109 PolarHBondContact O-N 2.99Å; R109-M112 PolarHBondContact O-N 3.39Å; R109-S113 WeakPolarHBondContact O-CB 3.32Å; R109-S113 PolarHBondContact O-N 3.47Å; R109-V153 HydrophobicContact CG-CG2 3.64Å; R109-E156 IonicContact CZ-OE2 2.97Å; R109-E156 IonicContact NE-OE2 3.08Å; R109-E156 VanDerWaalsContact NH2-CD 3.29Å; R109-E156 IonicContact NH2-OE1 2.78Å; R109-E156 PolarHBondContact NH2-OE1 3.23Å; R109-E156 IonicContact NH2-OE2 3.85Å; R109-E156 PolarHBondContact NH2-OE2 3.03Å |
| 110 | K | 93.2 | Very high | 91.3 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 26% | 0.261 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.6 | -40.8 | -179.1 | -166.1 | 59.1 | 169.3 | 161.8 | 0 | 112.2 | I65 E69 C106 A107 V108 M112 S113 I114 | I65-K110 HydrophobicContact CG2-CB 3.95Å; I65-K110 HydrophobicContact CG2-CG 3.43Å; I65-K110 VanDerWaalsContact CG2-CG 3.43Å; E69-K110 VanDerWaalsContact CD-CE 3.47Å; E69-K110 WeakPolarHBondContact OE1-CE 3.45Å; E69-K110 IonicContact OE1-NZ 2.91Å; E69-K110 PolarHBondContact OE1-NZ 3.09Å; E69-K110 WeakPolarHBondContact OE2-CE 3.26Å; E69-K110 IonicContact OE2-NZ 3.14Å; E69-K110 PolarHBondContact OE2-NZ 3Å; C106-K110 WeakPolarHBondContact O-CB 3.36Å; C106-K110 PolarHBondContact O-N 2.84Å; C106-K110 VanDerWaalsContact O-N 3.1Å; A107-K110 PolarHBondContact O-N 3.16Å; V108-K110 VanDerWaalsContact C-N 3.25Å; V108-K110 PolarHBondContact O-N 2.9Å; K110-M112 VanDerWaalsContact C-N 3.34Å; K110-S113 WeakPolarHBondContact O-CB 3.44Å; K110-S113 PolarHBondContact O-N 3.43Å; K110-I114 WeakPolarHBondContact O-CG1 3.35Å; K110-I114 PolarHBondContact O-N 3.48Å |
| 111 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 172.6 | -69.4 | 170.7 | 0 | 0 | 0 | 111.8 | I65 L68 I91 L94 Y98 A107 V108 S113 I114 A115 | I65-L111 HydrophobicContact CD1-CD1 4.38Å; I65-L111 HydrophobicContact CD1-CD2 4.29Å; I65-L111 HydrophobicContact CD1-CG 4.02Å; I65-L111 HydrophobicContact CG1-CD2 4.08Å; I65-L111 HydrophobicContact CG1-CG 4.38Å; I65-L111 HydrophobicContact CG2-CD2 4.47Å; L68-L111 HydrophobicContact CD2-CD2 4.3Å; I91-L111 WeakPolarHBondContact CG2-O 3.37Å; L94-L111 HydrophobicContact CD2-CD1 4.34Å; L94-L111 HydrophobicContact CD2-CD2 3.97Å; L94-L111 HydrophobicContact CG-CD1 4.12Å; Y98-L111 HydrophobicContact CD1-CD1 4Å; Y98-L111 HydrophobicContact CD2-CD1 4.34Å; Y98-L111 HydrophobicContact CE1-CD1 4.38Å; Y98-L111 HydrophobicContact CG-CD1 3.98Å; A107-L111 WeakPolarHBondContact O-CG 3.21Å; A107-L111 PolarHBondContact O-N 3.42Å; V108-L111 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 2.92Å; L111-I114 PolarHBondContact O-N 2.68Å; L111-A115 PolarHBondContact O-N 3.43Å |
| 112 | M | 96.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 173.7 | -68.7 | 176.2 | 168.5 | 0 | 0 | 112 | V108 R109 K110 A115 A116 F146 K149 L150 V153 | V108-M112 HydrophobicContact CG1-CE 3.64Å; V108-M112 HydrophobicContact CG1-CG 4.48Å; V108-M112 HydrophobicContact CG1-SD 4.09Å; V108-M112 WeakPolarHBondContact O-CG 3.36Å; V108-M112 PolarHBondContact O-N 3.01Å; R109-M112 PolarHBondContact O-N 3.39Å; K110-M112 VanDerWaalsContact C-N 3.34Å; M112-A115 PolarHBondContact O-N 3.34Å; M112-A116 PolarHBondContact O-N 3.04Å; M112-F146 HydrophobicContact CE-CD2 3.46Å; M112-F146 VanDerWaalsContact CE-CD2 3.46Å; M112-F146 HydrophobicContact CE-CE2 3.24Å; M112-F146 HydrophobicContact CE-CG 4.29Å; M112-F146 HydrophobicContact CE-CZ 3.92Å; M112-K149 HydrophobicContact CE-CB 3.87Å; M112-K149 HydrophobicContact SD-CB 4.01Å; M112-L150 HydrophobicContact CB-CD1 3.76Å; M112-L150 HydrophobicContact CE-CB 4.31Å; M112-L150 HydrophobicContact CG-CD1 3.79Å; M112-L150 HydrophobicContact SD-CB 4.33Å; M112-L150 HydrophobicContact SD-CD1 4.48Å; M112-V153 HydrophobicContact CB-CB 4.14Å; M112-V153 HydrophobicContact CB-CG1 3.94Å; M112-V153 HydrophobicContact CB-CG2 4.3Å; M112-V153 HydrophobicContact SD-CG2 4.36Å |
| 113 | S | 94.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.3 | 161.5 | 0 | 0 | 0 | 0 | 111.6 | R109 K110 L111 A116 N117 E157 | R109-S113 WeakPolarHBondContact O-CB 3.32Å; R109-S113 PolarHBondContact O-N 3.47Å; K110-S113 WeakPolarHBondContact O-CB 3.44Å; K110-S113 PolarHBondContact O-N 3.43Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 2.92Å; S113-A116 PolarHBondContact O-N 2.91Å; S113-N117 WeakPolarHBondContact O-CB 3.31Å; S113-N117 PolarHBondContact O-N 3.01Å; S113-E157 VanDerWaalsContact OG-CD 3.32Å; S113-E157 PolarHBondContact OG-OE1 3.09Å |
| 114 | I | 93.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 173.6 | -63.5 | 166.4 | 0 | 0 | 0 | 110.5 | I65 E69 I72 I91 K110 L111 A116 N117 I118 | I65-I114 HydrophobicContact CG2-CD1 3.84Å; E69-I114 HydrophobicContact CB-CD1 3.75Å; E69-I114 HydrophobicContact CB-CG1 3.92Å; E69-I114 HydrophobicContact CG-CD1 4.41Å; E69-I114 HydrophobicContact CG-CG1 4.03Å; I72-I114 HydrophobicContact CD1-CG2 3.74Å; I72-I114 HydrophobicContact CG2-CG2 4.31Å; I91-I114 HydrophobicContact CG1-CG2 4.35Å; I91-I114 HydrophobicContact CG2-CB 4.21Å; I91-I114 HydrophobicContact CG2-CG2 4.08Å; K110-I114 WeakPolarHBondContact O-CG1 3.35Å; K110-I114 PolarHBondContact O-N 3.48Å; L111-I114 PolarHBondContact O-N 2.68Å; I114-A116 PolarHBondContact O-N 3.36Å; I114-N117 PolarHBondContact O-N 3.37Å; I114-I118 HydrophobicContact CG2-CD1 4.16Å; I114-I118 WeakPolarHBondContact O-CG1 3.42Å; I114-I118 PolarHBondContact O-N 2.91Å |
| 115 | A | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F88 I91 L111 M112 N117 I118 T119 | F88-A115 HydrophobicContact CD2-CB 4.35Å; F88-A115 HydrophobicContact CE2-CB 4.25Å; I91-A115 HydrophobicContact CG2-CB 4.08Å; L111-A115 PolarHBondContact O-N 3.43Å; M112-A115 PolarHBondContact O-N 3.34Å; A115-N117 VanDerWaalsContact C-N 3.32Å; A115-N117 PolarHBondContact O-N 2.94Å; A115-I118 PolarHBondContact O-N 3.42Å; A115-T119 PolarHBondContact O-N 2.84Å; A115-T119 VanDerWaalsContact O-N 3.12Å; A115-T119 PolarHBondContact O-OG1 3.35Å |
| 116 | A | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M112 S113 I114 T119 R120 E157 F158 | M112-A116 PolarHBondContact O-N 3.04Å; S113-A116 PolarHBondContact O-N 2.91Å; I114-A116 PolarHBondContact O-N 3.36Å; A116-T119 PolarHBondContact O-N 3.33Å; A116-R120 PolarHBondContact O-N 3.42Å; A116-E157 HydrophobicContact CB-CB 4.12Å; A116-E157 HydrophobicContact CB-CG 4.35Å; A116-F158 HydrophobicContact CB-CD2 4.49Å; A116-F158 HydrophobicContact CB-CE2 4.19Å; A116-F158 WeakPolarHBondContact O-CE2 3.41Å |
| 117 | N | 90 | Very high | 91.7 | Very high | 13 Ų | 13 | 22.7 Ų | 22.7 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 177.5 | -169.3 | 32.4 | 0 | 0 | 0 | 112.6 | S113 I114 A115 R120 H121 | S113-N117 WeakPolarHBondContact O-CB 3.31Å; S113-N117 PolarHBondContact O-N 3.01Å; I114-N117 PolarHBondContact O-N 3.37Å; A115-N117 VanDerWaalsContact C-N 3.32Å; A115-N117 PolarHBondContact O-N 2.94Å; N117-R120 PolarHBondContact O-N 2.89Å; N117-R120 PolarHBondContact OD1-NH2 3.13Å; N117-H121 PolarHBondContact O-N 2.97Å; N117-H121 PolarHBondContact O-ND1 3Å; N117-H121 PolarHBondContact OD1-CE1 3.41Å |
| 118 | I | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.2 | -51.2 | 172.3 | -64.9 | 164.2 | 0 | 0 | 0 | 109.3 | I72 L76 R84 L87 F88 I91 I114 A115 R120 H121 S122 | I72-I118 HydrophobicContact CD1-CD1 4.47Å; I72-I118 HydrophobicContact CG2-CD1 3.99Å; I72-I118 HydrophobicContact CG2-CG1 3.67Å; L76-I118 HydrophobicContact CD1-CG1 4.12Å; L76-I118 HydrophobicContact CD2-CB 4.18Å; L76-I118 HydrophobicContact CD2-CG1 4.09Å; L76-I118 HydrophobicContact CD2-CG2 3.96Å; R84-I118 WeakPolarHBondContact O-CG2 3.46Å; L87-I118 HydrophobicContact CB-CD1 4.16Å; F88-I118 HydrophobicContact CB-CG2 3.86Å; I91-I118 HydrophobicContact CB-CD1 4.39Å; I91-I118 HydrophobicContact CG1-CD1 4.04Å; I114-I118 HydrophobicContact CG2-CD1 4.16Å; I114-I118 WeakPolarHBondContact O-CG1 3.42Å; I114-I118 PolarHBondContact O-N 2.91Å; A115-I118 PolarHBondContact O-N 3.42Å; I118-R120 VanDerWaalsContact C-N 3.28Å; I118-R120 PolarHBondContact O-N 2.98Å; I118-H121 PolarHBondContact O-N 3.38Å; I118-S122 PolarHBondContact O-N 3.44Å; I118-S122 PolarHBondContact O-OG 3.34Å |
| 119 | T | 91.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -37.6 | 179.6 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | A115 A116 H121 S122 A127 Y130 F158 | A115-T119 PolarHBondContact O-N 2.84Å; A115-T119 VanDerWaalsContact O-N 3.12Å; A115-T119 PolarHBondContact O-OG1 3.35Å; A116-T119 PolarHBondContact O-N 3.33Å; T119-H121 PolarHBondContact O-N 3.13Å; T119-S122 VanDerWaalsContact O-CB 3.32Å; T119-S122 WeakPolarHBondContact O-CB 3.47Å; T119-S122 PolarHBondContact O-N 3.02Å; T119-A127 HydrophobicContact CG2-CB 4.02Å; T119-Y130 HydrophobicContact CG2-CD1 3.75Å; T119-Y130 HydrophobicContact CG2-CE1 4.49Å; T119-Y130 HydrophobicContact CG2-CG 3.74Å; T119-F158 HydrophobicContact CG2-CZ 4.09Å |
| 120 | R | 89.3 | Confident | 91.7 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -27.9 | 177 | -172.5 | 172.2 | 58.8 | -173 | -13.8 | 113.1 | A116 N117 I118 E157 F158 C164 L167 M175 | A116-R120 PolarHBondContact O-N 3.42Å; N117-R120 PolarHBondContact O-N 2.89Å; N117-R120 PolarHBondContact OD1-NH2 3.13Å; I118-R120 VanDerWaalsContact C-N 3.28Å; I118-R120 PolarHBondContact O-N 2.98Å; R120-E157 PolarHBondContact NH1-O 3Å; R120-F158 HydrophobicContact CB-CD1 4.44Å; R120-F158 HydrophobicContact CB-CE1 3.89Å; R120-F158 HydrophobicContact CB-CE2 4.19Å; R120-F158 HydrophobicContact CB-CZ 3.76Å; R120-F158 HydrophobicContact CG-CD1 4.29Å; R120-F158 HydrophobicContact CG-CE1 4.1Å; R120-F158 HydrophobicContact CG-CZ 4.46Å; R120-C164 VanDerWaalsContact CZ-SG 3.55Å; R120-C164 VanDerWaalsContact NH2-CB 3.28Å; R120-C164 PolarHBondContact NH2-SG 3.03Å; R120-C164 VanDerWaalsContact NH2-SG 3.38Å; R120-L167 HydrophobicContact CG-CD1 3.85Å; R120-M175 HydrophobicContact CG-CB 4.24Å; R120-M175 HydrophobicContact CG-CG 4.39Å |
| 121 | H | 89.1 | Confident | 91.8 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.046 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -82.8 | -19.8 | 173.5 | -72.1 | 74 | 0 | 0 | 0 | 112.4 | L76 R84 N117 I118 T119 T166 | L76-H121 HydrophobicContact CB-CB 4.34Å; L76-H121 HydrophobicContact CD2-CB 4.13Å; R84-H121 PolarHBondContact NH1-O 3.37Å; N117-H121 PolarHBondContact O-N 2.97Å; N117-H121 PolarHBondContact O-ND1 3Å; N117-H121 PolarHBondContact OD1-CE1 3.41Å; I118-H121 PolarHBondContact O-N 3.38Å; T119-H121 PolarHBondContact O-N 3.13Å; H121-T166 PolarHBondContact CE1-OG1 2.9Å; H121-T166 WeakPolarHBondContact NE2-CB 3.36Å; H121-T166 PolarHBondContact NE2-OG1 3.13Å |
| 122 | S | 88.6 | Confident | 91.8 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -71.5 | 174.8 | -179.5 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | I118 T119 R171 | I118-S122 PolarHBondContact O-N 3.44Å; I118-S122 PolarHBondContact O-OG 3.34Å; T119-S122 VanDerWaalsContact O-CB 3.32Å; T119-S122 WeakPolarHBondContact O-CB 3.47Å; T119-S122 PolarHBondContact O-N 3.02Å; S122-R171 PolarHBondContact O-NH2 3.37Å |
| 123 | D | 87.8 | Confident | 91.7 | Very high | 72 Ų | 72 | 28.7 Ų | 28.7 | 39% | 0.385 | 16% | 0.159 | S | C | . | . | trans | -77.9 | 162.4 | 178.8 | -53.2 | -12 | 0 | 0 | 0 | 110.1 | R84 A125 D126 A127 | R84-D123 IonicContact CZ-OD1 2.67Å; R84-D123 IonicContact NH1-OD1 2.78Å; R84-D123 IonicContact NH2-OD1 3.45Å; R84-D123 PolarHBondContact NH2-OD1 2.92Å; R84-D123 IonicContact NH2-OD2 3.33Å; D123-A125 VanDerWaalsContact C-N 3.27Å; D123-A125 PolarHBondContact O-N 3.26Å; D123-D126 PolarHBondContact O-N 3.13Å; D123-D126 VanDerWaalsContact O-N 3.15Å; D123-A127 PolarHBondContact O-N 3.39Å | ||
| 124 | E | 87.3 | Confident | 91.8 | Very high | 78 Ų | 78 | 28.4 Ų | 28.4 | 36% | 0.364 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.6 | -31.6 | -174.6 | -79.4 | 163.2 | -135.9 | 0 | 0 | 113.8 | A127 A128 R171 H174 M175 | E124-A127 PolarHBondContact O-N 2.95Å; E124-A128 WeakPolarHBondContact O-CB 3.22Å; E124-A128 PolarHBondContact O-N 3.12Å; E124-R171 IonicContact OE1-CZ 2.72Å; E124-R171 IonicContact OE1-NH1 3.75Å; E124-R171 PolarHBondContact OE1-NH1 3.36Å; E124-H174 VanDerWaalsContact CD-NE2 3.31Å; E124-H174 IonicContact OE1-CD2 3.57Å; E124-H174 PolarHBondContact OE1-CD2 2.9Å; E124-H174 IonicContact OE1-CE1 3.82Å; E124-H174 IonicContact OE1-NE2 2.65Å; E124-H174 PolarHBondContact OE1-NE2 3.36Å; E124-H174 IonicContact OE2-NE2 3.59Å; E124-M175 HydrophobicContact CG-CE 3.69Å |
| 125 | A | 89.8 | Confident | 91.8 | Very high | 71 Ų | 71 | 30.3 Ų | 30.3 | 59% | 0.587 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -63.5 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D123 A127 A128 E129 | D123-A125 VanDerWaalsContact C-N 3.27Å; D123-A125 PolarHBondContact O-N 3.26Å; A125-A127 VanDerWaalsContact C-N 3.35Å; A125-A128 PolarHBondContact O-N 3.44Å; A125-E129 PolarHBondContact O-N 3.48Å |
| 126 | D | 90.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 178.1 | -67 | -10.1 | 0 | 0 | 0 | 110.7 | R85 D123 E129 Y130 | R85-D126 IonicContact CZ-OD1 3.64Å; R85-D126 VanDerWaalsContact CZ-OD1 3.29Å; R85-D126 IonicContact CZ-OD2 3.89Å; R85-D126 IonicContact NE-OD1 3Å; R85-D126 PolarHBondContact NE-OD1 2.86Å; R85-D126 IonicContact NE-OD2 2.7Å; R85-D126 PolarHBondContact NE-OD2 3.28Å; R85-D126 IonicContact NH2-OD1 3.42Å; R85-D126 PolarHBondContact NH2-OD1 3.16Å; R85-D126 IonicContact NH2-OD2 2.75Å; D123-D126 PolarHBondContact O-N 3.13Å; D123-D126 VanDerWaalsContact O-N 3.15Å; D126-E129 PolarHBondContact O-N 3.35Å; D126-Y130 WeakPolarHBondContact O-CB 3.45Å; D126-Y130 PolarHBondContact O-N 3.07Å |
| 127 | A | 91.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T119 D123 E124 A125 Y130 F131 F178 | T119-A127 HydrophobicContact CG2-CB 4.02Å; D123-A127 PolarHBondContact O-N 3.39Å; E124-A127 PolarHBondContact O-N 2.95Å; A125-A127 VanDerWaalsContact C-N 3.35Å; A127-Y130 WeakPolarHBondContact O-CB 3.36Å; A127-Y130 PolarHBondContact O-N 3.42Å; A127-F131 WeakPolarHBondContact O-CD2 3.48Å; A127-F131 PolarHBondContact O-N 3.1Å; A127-F131 VanDerWaalsContact O-N 3.13Å; A127-F178 HydrophobicContact CB-CD1 4.45Å; A127-F178 HydrophobicContact CB-CE1 3.85Å |
| 128 | A | 92 | Very high | 92.2 | Very high | 31 Ų | 31 | 37.3 Ų | 37.3 | 26% | 0.256 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E124 A125 Y130 F131 L132 F178 | E124-A128 WeakPolarHBondContact O-CB 3.22Å; E124-A128 PolarHBondContact O-N 3.12Å; A125-A128 PolarHBondContact O-N 3.44Å; A128-Y130 VanDerWaalsContact C-N 3.29Å; A128-Y130 PolarHBondContact O-N 3.44Å; A128-F131 PolarHBondContact O-N 3.38Å; A128-L132 WeakPolarHBondContact O-CB 3.4Å; A128-L132 PolarHBondContact O-N 3.24Å; A128-F178 HydrophobicContact CB-CZ 4.02Å |
| 129 | E | 93.3 | Very high | 92.2 | Very high | 131 Ų | 131 | 41.4 Ų | 41.4 | 61% | 0.612 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.2 | -38.7 | 175.8 | -168.7 | 176.3 | -175.5 | 0 | 0 | 111.5 | A125 D126 L132 M133 | A125-E129 PolarHBondContact O-N 3.48Å; D126-E129 PolarHBondContact O-N 3.35Å; E129-L132 PolarHBondContact O-N 2.99Å; E129-M133 WeakPolarHBondContact O-CB 3.38Å; E129-M133 PolarHBondContact O-N 3.26Å |
| 130 | Y | 94.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 174.3 | 175.2 | -110.1 | 0 | 0 | 0 | 113.2 | F88 T119 D126 A127 A128 M133 M134 L150 S154 | F88-Y130 HydrophobicContact CE1-CD2 4.46Å; F88-Y130 AromaticContact CE2-CD2 3.5Å; F88-Y130 HydrophobicContact CE2-CD2 3.5Å; F88-Y130 VanDerWaalsContact CE2-CD2 3.5Å; F88-Y130 AromaticContact CE2-CE2 3.45Å; F88-Y130 HydrophobicContact CE2-CE2 3.45Å; F88-Y130 VanDerWaalsContact CE2-CE2 3.45Å; F88-Y130 AromaticContact CZ-CD2 3.4Å; F88-Y130 HydrophobicContact CZ-CD2 3.4Å; F88-Y130 VanDerWaalsContact CZ-CD2 3.4Å; F88-Y130 AromaticContact CZ-CE2 3.64Å; F88-Y130 HydrophobicContact CZ-CE2 3.64Å; T119-Y130 HydrophobicContact CG2-CD1 3.75Å; T119-Y130 HydrophobicContact CG2-CE1 4.49Å; T119-Y130 HydrophobicContact CG2-CG 3.74Å; D126-Y130 WeakPolarHBondContact O-CB 3.45Å; D126-Y130 PolarHBondContact O-N 3.07Å; A127-Y130 WeakPolarHBondContact O-CB 3.36Å; A127-Y130 PolarHBondContact O-N 3.42Å; A128-Y130 VanDerWaalsContact C-N 3.29Å; A128-Y130 PolarHBondContact O-N 3.44Å; Y130-M133 HydrophobicContact CD2-CE 3.99Å; Y130-M133 HydrophobicContact CE2-CE 4.15Å; Y130-M134 HydrophobicContact CD1-CE 3.61Å; Y130-M134 HydrophobicContact CE1-CE 3.26Å; Y130-M134 HydrophobicContact CE1-SD 4.04Å; Y130-M134 HydrophobicContact CE2-CE 4.45Å; Y130-M134 HydrophobicContact CE2-SD 4.47Å; Y130-M134 HydrophobicContact CG-CE 4.37Å; Y130-M134 PolarHBondContact O-N 3Å; Y130-M134 VanDerWaalsContact O-N 3.15Å; Y130-L150 HydrophobicContact CE2-CD2 4.24Å; Y130-L150 WeakPolarHBondContact OH-CD1 3.29Å; Y130-L150 WeakPolarHBondContact OH-CG 3.18Å; Y130-S154 PolarHBondContact OH-OG 3.32Å |
| 131 | F | 94.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.3 | -73.6 | -70.9 | 0 | 0 | 0 | 111.9 | A127 A128 M133 M134 L135 F178 A179 Q182 F186 | A127-F131 WeakPolarHBondContact O-CD2 3.48Å; A127-F131 PolarHBondContact O-N 3.1Å; A127-F131 VanDerWaalsContact O-N 3.13Å; A128-F131 PolarHBondContact O-N 3.38Å; F131-M133 PolarHBondContact O-N 3.26Å; F131-M134 HydrophobicContact CD1-CE 3.36Å; F131-M134 HydrophobicContact CE1-CE 3.74Å; F131-M134 HydrophobicContact CG-CE 4.13Å; F131-M134 PolarHBondContact O-N 3.23Å; F131-L135 PolarHBondContact O-N 3.27Å; F131-F178 AromaticContact CD2-CE1 3.92Å; F131-F178 HydrophobicContact CD2-CE1 3.92Å; F131-F178 HydrophobicContact CE2-CD1 4.25Å; F131-F178 AromaticContact CE2-CE1 3.95Å; F131-F178 HydrophobicContact CE2-CE1 3.95Å; F131-A179 HydrophobicContact CZ-CB 4.03Å; F131-Q182 HydrophobicContact CB-CB 4.45Å; F131-Q182 HydrophobicContact CB-CG 4.37Å; F131-Q182 HydrophobicContact CD1-CB 4.2Å; F131-Q182 HydrophobicContact CD2-CB 4.24Å; F131-Q182 HydrophobicContact CD2-CG 3.83Å; F131-Q182 HydrophobicContact CE2-CG 4.3Å; F131-Q182 HydrophobicContact CG-CB 4.05Å; F131-Q182 HydrophobicContact CG-CG 4.05Å; F131-F186 HydrophobicContact CB-CE2 4.26Å; F131-F186 HydrophobicContact CB-CZ 4.19Å; F131-F186 AromaticContact CD1-CE2 3.66Å; F131-F186 HydrophobicContact CD1-CE2 3.66Å; F131-F186 AromaticContact CD1-CZ 3.99Å; F131-F186 HydrophobicContact CD1-CZ 3.99Å; F131-F186 HydrophobicContact CG-CE2 4.37Å; F131-F186 WeakPolarHBondContact O-CZ 3.27Å |
| 132 | L | 94.2 | Very high | 92.2 | Very high | 99 Ų | 99 | 59 Ų | 59 | 52% | 0.518 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | 174 | -94.4 | 153.4 | 0 | 0 | 0 | 112.1 | A128 E129 M134 L135 E136 | A128-L132 WeakPolarHBondContact O-CB 3.4Å; A128-L132 PolarHBondContact O-N 3.24Å; E129-L132 PolarHBondContact O-N 2.99Å; L132-M134 VanDerWaalsContact C-N 3.33Å; L132-M134 PolarHBondContact O-N 2.99Å; L132-L135 WeakPolarHBondContact O-CB 3.41Å; L132-L135 PolarHBondContact O-N 3.2Å; L132-L135 VanDerWaalsContact O-N 3.08Å; L132-E136 PolarHBondContact O-N 2.97Å |
| 133 | M | 95.1 | Very high | 92.4 | Very high | 46 Ų | 46 | 60 Ų | 60 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 175.8 | 179.2 | -164.1 | 70.9 | 0 | 0 | 111.1 | F88 F92 E129 Y130 F131 L135 E136 M137 | F88-M133 HydrophobicContact CZ-CE 4.12Å; F92-M133 HydrophobicContact CD2-CE 3.98Å; F92-M133 HydrophobicContact CE1-SD 4.36Å; F92-M133 HydrophobicContact CE2-CE 3.31Å; F92-M133 HydrophobicContact CE2-SD 4.15Å; F92-M133 HydrophobicContact CZ-CE 3.65Å; F92-M133 HydrophobicContact CZ-SD 3.91Å; E129-M133 WeakPolarHBondContact O-CB 3.38Å; E129-M133 PolarHBondContact O-N 3.26Å; Y130-M133 HydrophobicContact CD2-CE 3.99Å; Y130-M133 HydrophobicContact CE2-CE 4.15Å; F131-M133 PolarHBondContact O-N 3.26Å; M133-L135 VanDerWaalsContact C-N 3.3Å; M133-L135 PolarHBondContact O-N 3.48Å; M133-E136 PolarHBondContact O-N 2.97Å; M133-M137 HydrophobicContact CE-SD 4.37Å; M133-M137 HydrophobicContact CG-SD 4.08Å; M133-M137 WeakPolarHBondContact O-CB 3.34Å; M133-M137 WeakPolarHBondContact O-CG 3.46Å; M133-M137 PolarHBondContact O-N 2.82Å; M133-M137 HydrophobicContact SD-SD 4.49Å |
| 134 | M | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176.2 | -74.7 | -169.9 | -68.7 | 0 | 0 | 112.1 | Y130 F131 L132 M137 I138 L150 L151 F186 | Y130-M134 HydrophobicContact CD1-CE 3.61Å; Y130-M134 HydrophobicContact CE1-CE 3.26Å; Y130-M134 HydrophobicContact CE1-SD 4.04Å; Y130-M134 HydrophobicContact CE2-CE 4.45Å; Y130-M134 HydrophobicContact CE2-SD 4.47Å; Y130-M134 HydrophobicContact CG-CE 4.37Å; Y130-M134 PolarHBondContact O-N 3Å; Y130-M134 VanDerWaalsContact O-N 3.15Å; F131-M134 HydrophobicContact CD1-CE 3.36Å; F131-M134 HydrophobicContact CE1-CE 3.74Å; F131-M134 HydrophobicContact CG-CE 4.13Å; F131-M134 PolarHBondContact O-N 3.23Å; L132-M134 VanDerWaalsContact C-N 3.33Å; L132-M134 PolarHBondContact O-N 2.99Å; M134-M137 PolarHBondContact O-N 3.06Å; M134-I138 VanDerWaalsContact O-CG1 3.25Å; M134-I138 WeakPolarHBondContact O-CG1 3.49Å; M134-I138 PolarHBondContact O-N 2.72Å; M134-L150 HydrophobicContact CG-CD2 3.98Å; M134-L150 HydrophobicContact CG-CG 4.47Å; M134-L150 HydrophobicContact SD-CB 4.38Å; M134-L150 HydrophobicContact SD-CD2 3.92Å; M134-L150 HydrophobicContact SD-CG 3.78Å; M134-L151 HydrophobicContact CE-CD1 4.41Å; M134-L151 HydrophobicContact SD-CB 4.28Å; M134-F186 HydrophobicContact CB-CE1 4.08Å; M134-F186 HydrophobicContact CB-CZ 4.16Å |
| 135 | L | 94.4 | Very high | 93 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 179.4 | -158.7 | 118.1 | 0 | 0 | 0 | 110.9 | F131 L132 M133 M137 I138 T139 Q185 F186 L189 | F131-L135 PolarHBondContact O-N 3.27Å; L132-L135 WeakPolarHBondContact O-CB 3.41Å; L132-L135 PolarHBondContact O-N 3.2Å; L132-L135 VanDerWaalsContact O-N 3.08Å; M133-L135 VanDerWaalsContact C-N 3.3Å; M133-L135 PolarHBondContact O-N 3.48Å; L135-M137 PolarHBondContact O-N 3.26Å; L135-I138 PolarHBondContact O-N 3.03Å; L135-T139 PolarHBondContact O-N 3.27Å; L135-Q185 HydrophobicContact CD1-CB 4.01Å; L135-F186 HydrophobicContact CB-CE1 3.95Å; L135-F186 HydrophobicContact CB-CZ 4.31Å; L135-F186 HydrophobicContact CD1-CD1 4.09Å; L135-F186 HydrophobicContact CD1-CE1 3.89Å; L135-F186 HydrophobicContact CD1-CZ 4.18Å; L135-F186 HydrophobicContact CG-CE1 4.32Å; L135-L189 HydrophobicContact CG-CD2 4.15Å |
| 136 | E | 94.7 | Very high | 93.3 | Very high | 129 Ų | 129 | 53.4 Ų | 53.4 | 60% | 0.603 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 175 | -69.8 | 179.4 | 179.4 | 0 | 0 | 111.5 | L132 M133 I138 T139 C140 | L132-E136 PolarHBondContact O-N 2.97Å; M133-E136 PolarHBondContact O-N 2.97Å; E136-I138 VanDerWaalsContact C-N 3.28Å; E136-I138 PolarHBondContact O-N 2.99Å; E136-T139 PolarHBondContact O-N 2.98Å; E136-T139 VanDerWaalsContact O-N 3.14Å; E136-T139 PolarHBondContact O-OG1 3.36Å; E136-C140 PolarHBondContact O-N 3.46Å |
| 137 | M | 95.2 | Very high | 93.5 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -30.9 | 179.6 | -70.5 | 178.2 | 72 | 0 | 0 | 113.4 | F92 M133 M134 L135 T139 C140 S143 R144 F146 A147 | F92-M137 HydrophobicContact CZ-CE 4.07Å; F92-M137 HydrophobicContact CZ-SD 3.84Å; M133-M137 HydrophobicContact CE-SD 4.37Å; M133-M137 HydrophobicContact CG-SD 4.08Å; M133-M137 WeakPolarHBondContact O-CB 3.34Å; M133-M137 WeakPolarHBondContact O-CG 3.46Å; M133-M137 PolarHBondContact O-N 2.82Å; M133-M137 HydrophobicContact SD-SD 4.49Å; M134-M137 PolarHBondContact O-N 3.06Å; L135-M137 PolarHBondContact O-N 3.26Å; M137-T139 VanDerWaalsContact C-N 3.35Å; M137-C140 PolarHBondContact O-N 3.44Å; M137-S143 PolarHBondContact O-OG 3Å; M137-R144 PolarHBondContact O-N 3.46Å; M137-F146 HydrophobicContact CE-CD1 3.63Å; M137-F146 HydrophobicContact CE-CE1 4.03Å; M137-A147 HydrophobicContact CB-CB 3.61Å; M137-A147 HydrophobicContact CE-CB 4.47Å |
| 138 | I | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.5 | -34.3 | 176.4 | -72.2 | 166.7 | 0 | 0 | 0 | 111.3 | M134 L135 E136 C140 R144 A147 I148 L151 F186 L189 L193 | M134-I138 VanDerWaalsContact O-CG1 3.25Å; M134-I138 WeakPolarHBondContact O-CG1 3.49Å; M134-I138 PolarHBondContact O-N 2.72Å; L135-I138 PolarHBondContact O-N 3.03Å; E136-I138 VanDerWaalsContact C-N 3.28Å; E136-I138 PolarHBondContact O-N 2.99Å; I138-C140 VanDerWaalsContact C-N 3.28Å; I138-C140 PolarHBondContact O-N 3.18Å; I138-R144 HydrophobicContact CG2-CG 4.4Å; I138-R144 WeakPolarHBondContact O-CG 3.31Å; I138-R144 PolarHBondContact O-NE 2.98Å; I138-A147 HydrophobicContact CG1-CB 3.66Å; I138-I148 HydrophobicContact CG1-CG1 4.21Å; I138-L151 HydrophobicContact CD1-CD2 3.96Å; I138-F186 HydrophobicContact CD1-CD1 3.68Å; I138-F186 HydrophobicContact CD1-CE1 3.87Å; I138-L189 HydrophobicContact CB-CD2 4.07Å; I138-L189 HydrophobicContact CG2-CD2 3.59Å; I138-L189 HydrophobicContact CG2-CG 4.1Å; I138-L193 HydrophobicContact CG2-CD1 3.7Å |
| 139 | T | 92.5 | Very high | 93.9 | Very high | 85 Ų | 85 | 54.6 Ų | 54.6 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -31.6 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | L135 E136 M137 L189 | L135-T139 PolarHBondContact O-N 3.27Å; E136-T139 PolarHBondContact O-N 2.98Å; E136-T139 VanDerWaalsContact O-N 3.14Å; E136-T139 PolarHBondContact O-OG1 3.36Å; M137-T139 VanDerWaalsContact C-N 3.35Å; T139-L189 HydrophobicContact CG2-CD1 4.42Å; T139-L189 HydrophobicContact CG2-CD2 4.39Å |
| 140 | C | 92.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -83.4 | 121.4 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 112 | E136 M137 I138 K142 S143 R144 | E136-C140 PolarHBondContact O-N 3.46Å; M137-C140 PolarHBondContact O-N 3.44Å; I138-C140 VanDerWaalsContact C-N 3.28Å; I138-C140 PolarHBondContact O-N 3.18Å; C140-K142 VanDerWaalsContact C-N 3.27Å; C140-K142 PolarHBondContact O-N 2.65Å; C140-S143 WeakPolarHBondContact CB-OG 2.85Å; C140-S143 PolarHBondContact O-N 3.28Å; C140-S143 PolarHBondContact O-OG 2.65Å; C140-R144 WeakPolarHBondContact O-CB 3.33Å; C140-R144 PolarHBondContact O-N 3.23Å |
| 141 | E | 87.8 | Confident | 94.1 | Very high | 126 Ų | 126 | 48 Ų | 48 | 59% | 0.589 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.8 | -173.1 | -162.9 | 170.7 | -155.8 | 0 | 0 | 114.3 | ||
| 142 | K | 89.6 | Confident | 94.1 | Very high | 199 Ų | 199 | 50.6 Ų | 50.6 | 87% | 0.865 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -40.2 | 179.7 | -68.4 | -175.4 | 178.6 | -179.5 | 0 | 113.2 | C140 | C140-K142 VanDerWaalsContact C-N 3.27Å; C140-K142 PolarHBondContact O-N 2.65Å |
| 143 | S | 92.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16.1 | -178.5 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | M137 C140 P145 F146 A147 | M137-S143 PolarHBondContact O-OG 3Å; C140-S143 WeakPolarHBondContact CB-OG 2.85Å; C140-S143 PolarHBondContact O-N 3.28Å; C140-S143 PolarHBondContact O-OG 2.65Å; S143-P145 VanDerWaalsContact C-CD 3.49Å; S143-F146 PolarHBondContact O-N 2.7Å; S143-A147 PolarHBondContact O-N 3.38Å |
| 144 | R | 94.6 | Very high | 94 | Very high | 23 Ų | 23 | 44 Ų | 44 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -50.5 | -46.8 | -175.7 | -174.9 | -172.8 | -56.7 | 150.7 | 7.8 | 113.8 | M137 I138 C140 F146 A147 I148 | M137-R144 PolarHBondContact O-N 3.46Å; I138-R144 HydrophobicContact CG2-CG 4.4Å; I138-R144 WeakPolarHBondContact O-CG 3.31Å; I138-R144 PolarHBondContact O-NE 2.98Å; C140-R144 WeakPolarHBondContact O-CB 3.33Å; C140-R144 PolarHBondContact O-N 3.23Å; R144-F146 PolarHBondContact O-N 3.31Å; R144-A147 PolarHBondContact O-N 3Å; R144-I148 HydrophobicContact CG-CD1 3.64Å; R144-I148 HydrophobicContact CG-CG1 4.14Å; R144-I148 WeakPolarHBondContact O-CG1 3.4Å; R144-I148 PolarHBondContact O-N 2.77Å |
| 145 | P | 93.9 | Very high | 93.9 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 34% | 0.344 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.4 | -43.7 | -177.4 | -23.4 | 34.8 | 0 | 0 | 0 | 112.9 | S143 K149 L248 | S143-P145 VanDerWaalsContact C-CD 3.49Å; P145-K149 VanDerWaalsContact O-CG 3.31Å; P145-K149 WeakPolarHBondContact O-CG 3.46Å; P145-K149 PolarHBondContact O-N 2.95Å; P145-L248 HydrophobicContact CB-CD2 4.1Å; P145-L248 WeakPolarHBondContact O-CD2 3.33Å |
| 146 | F | 94.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 176.4 | 175.1 | -94.4 | 0 | 0 | 0 | 111.1 | F92 S95 H96 D99 M112 M137 S143 R144 I148 K149 L150 | F92-F146 AromaticContact CE2-CE1 3.83Å; F92-F146 HydrophobicContact CE2-CE1 3.83Å; F92-F146 HydrophobicContact CE2-CZ 4.36Å; F92-F146 AromaticContact CZ-CE1 3.92Å; F92-F146 HydrophobicContact CZ-CE1 3.92Å; S95-F146 WeakPolarHBondContact OG-CZ 3.42Å; H96-F146 VanDerWaalsContact CA-CE2 3.42Å; H96-F146 HydrophobicContact CB-CE1 4.31Å; H96-F146 HydrophobicContact CB-CE2 3.98Å; H96-F146 HydrophobicContact CB-CZ 3.82Å; H96-F146 AromaticContact CD2-CD1 3.89Å; H96-F146 AromaticContact CD2-CG 3.92Å; D99-F146 HydrophobicContact CB-CD2 3.73Å; D99-F146 HydrophobicContact CB-CE2 4.2Å; M112-F146 HydrophobicContact CE-CD2 3.46Å; M112-F146 VanDerWaalsContact CE-CD2 3.46Å; M112-F146 HydrophobicContact CE-CE2 3.24Å; M112-F146 HydrophobicContact CE-CG 4.29Å; M112-F146 HydrophobicContact CE-CZ 3.92Å; M137-F146 HydrophobicContact CE-CD1 3.63Å; M137-F146 HydrophobicContact CE-CE1 4.03Å; S143-F146 PolarHBondContact O-N 2.7Å; R144-F146 PolarHBondContact O-N 3.31Å; F146-I148 PolarHBondContact O-N 3.06Å; F146-K149 PolarHBondContact O-N 3.44Å; F146-L150 HydrophobicContact CE1-CD2 4.17Å; F146-L150 WeakPolarHBondContact O-CB 3.3Å; F146-L150 PolarHBondContact O-N 3.21Å |
| 147 | A | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M137 I138 S143 R144 L150 L151 | M137-A147 HydrophobicContact CB-CB 3.61Å; M137-A147 HydrophobicContact CE-CB 4.47Å; I138-A147 HydrophobicContact CG1-CB 3.66Å; S143-A147 PolarHBondContact O-N 3.38Å; R144-A147 PolarHBondContact O-N 3Å; A147-L150 PolarHBondContact O-N 3.38Å; A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 PolarHBondContact O-N 3.15Å |
| 148 | I | 96.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.9 | -69.2 | 177.8 | 0 | 0 | 0 | 111.1 | I138 R144 F146 L150 L151 K152 L248 E249 C252 | I138-I148 HydrophobicContact CG1-CG1 4.21Å; R144-I148 HydrophobicContact CG-CD1 3.64Å; R144-I148 HydrophobicContact CG-CG1 4.14Å; R144-I148 WeakPolarHBondContact O-CG1 3.4Å; R144-I148 PolarHBondContact O-N 2.77Å; F146-I148 PolarHBondContact O-N 3.06Å; I148-L150 VanDerWaalsContact C-N 3.35Å; I148-L151 PolarHBondContact O-N 3.36Å; I148-K152 PolarHBondContact O-N 3.29Å; I148-L248 HydrophobicContact CB-CD2 3.61Å; I148-L248 HydrophobicContact CB-CG 4.23Å; I148-L248 HydrophobicContact CD1-CD2 4.16Å; I148-L248 HydrophobicContact CG1-CD2 4.42Å; I148-L248 HydrophobicContact CG2-CD2 3.68Å; I148-L248 HydrophobicContact CG2-CG 3.71Å; I148-E249 HydrophobicContact CD1-CG 3.66Å; I148-C252 HydrophobicContact CG2-CB 3.54Å |
| 149 | K | 95.4 | Very high | 92.7 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.1 | -68.7 | 168.7 | -172.2 | 168.9 | 0 | 111 | D99 M112 P145 F146 K152 V153 L248 | D99-K149 IonicContact OD1-NZ 3.97Å; D99-K149 PolarHBondContact OD1-NZ 2.89Å; D99-K149 IonicContact OD2-NZ 3.98Å; D99-K149 PolarHBondContact OD2-NZ 3.46Å; M112-K149 HydrophobicContact CE-CB 3.87Å; M112-K149 HydrophobicContact SD-CB 4.01Å; P145-K149 VanDerWaalsContact O-CG 3.31Å; P145-K149 WeakPolarHBondContact O-CG 3.46Å; P145-K149 PolarHBondContact O-N 2.95Å; F146-K149 PolarHBondContact O-N 3.44Å; K149-K152 PolarHBondContact O-N 3.43Å; K149-V153 WeakPolarHBondContact O-CG2 3.41Å; K149-V153 PolarHBondContact O-N 3.17Å; K149-V153 VanDerWaalsContact O-N 3.14Å; K149-L248 HydrophobicContact CG-CD1 4.03Å |
| 150 | L | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.4 | -178.7 | 63.7 | 0 | 0 | 0 | 111.4 | F92 M112 Y130 M134 F146 A147 I148 K152 V153 S154 | F92-L150 HydrophobicContact CD2-CD2 4.08Å; F92-L150 HydrophobicContact CE2-CD2 3.56Å; M112-L150 HydrophobicContact CB-CD1 3.76Å; M112-L150 HydrophobicContact CE-CB 4.31Å; M112-L150 HydrophobicContact CG-CD1 3.79Å; M112-L150 HydrophobicContact SD-CB 4.33Å; M112-L150 HydrophobicContact SD-CD1 4.48Å; Y130-L150 HydrophobicContact CE2-CD2 4.24Å; Y130-L150 WeakPolarHBondContact OH-CD1 3.29Å; Y130-L150 WeakPolarHBondContact OH-CG 3.18Å; M134-L150 HydrophobicContact CG-CD2 3.98Å; M134-L150 HydrophobicContact CG-CG 4.47Å; M134-L150 HydrophobicContact SD-CB 4.38Å; M134-L150 HydrophobicContact SD-CD2 3.92Å; M134-L150 HydrophobicContact SD-CG 3.78Å; F146-L150 HydrophobicContact CE1-CD2 4.17Å; F146-L150 WeakPolarHBondContact O-CB 3.3Å; F146-L150 PolarHBondContact O-N 3.21Å; A147-L150 PolarHBondContact O-N 3.38Å; I148-L150 VanDerWaalsContact C-N 3.35Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 3.19Å; L150-V153 PolarHBondContact O-N 2.94Å; L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.21Å; L150-S154 PolarHBondContact O-OG 3.12Å |
| 151 | L | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.2 | -47.9 | 176.7 | 175.2 | 64 | 0 | 0 | 0 | 111.1 | M134 I138 A147 I148 V153 S154 I155 F186 I190 | M134-L151 HydrophobicContact CE-CD1 4.41Å; M134-L151 HydrophobicContact SD-CB 4.28Å; I138-L151 HydrophobicContact CD1-CD2 3.96Å; A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 PolarHBondContact O-N 3.15Å; I148-L151 PolarHBondContact O-N 3.36Å; L151-V153 PolarHBondContact O-N 3.47Å; L151-S154 WeakPolarHBondContact O-CB 3.49Å; L151-S154 PolarHBondContact O-N 2.84Å; L151-I155 HydrophobicContact CD1-CD1 3.85Å; L151-I155 HydrophobicContact CD1-CG1 4.16Å; L151-I155 HydrophobicContact CG-CD1 3.86Å; L151-I155 WeakPolarHBondContact O-CG1 3.26Å; L151-I155 PolarHBondContact O-N 3Å; L151-F186 HydrophobicContact CD1-CD1 4.02Å; L151-F186 HydrophobicContact CD1-CD2 3.83Å; L151-F186 HydrophobicContact CD1-CE1 4.1Å; L151-F186 HydrophobicContact CD1-CE2 3.94Å; L151-F186 HydrophobicContact CD1-CG 3.86Å; L151-F186 HydrophobicContact CD1-CZ 4.05Å; L151-F186 HydrophobicContact CD2-CB 3.76Å; L151-F186 HydrophobicContact CD2-CD1 3.61Å; L151-F186 HydrophobicContact CD2-CD2 4.49Å; L151-F186 HydrophobicContact CD2-CE1 4.31Å; L151-F186 HydrophobicContact CD2-CG 3.71Å; L151-F186 HydrophobicContact CG-CD1 4.45Å; L151-F186 HydrophobicContact CG-CG 4.46Å; L151-I190 HydrophobicContact CD2-CD1 4.3Å |
| 152 | K | 94.2 | Very high | 89.8 | Confident | 58 Ų | 58 | 36 Ų | 36 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 179.1 | -175.8 | 176.2 | 176.8 | 177.8 | 0 | 111.8 | I148 K149 L150 S154 I155 E156 S251 T255 | I148-K152 PolarHBondContact O-N 3.29Å; K149-K152 PolarHBondContact O-N 3.43Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 3.19Å; K152-S154 VanDerWaalsContact C-N 3.28Å; K152-S154 PolarHBondContact O-N 3.03Å; K152-I155 PolarHBondContact O-N 3.49Å; K152-E156 WeakPolarHBondContact O-CG 3.31Å; K152-E156 PolarHBondContact O-N 3.27Å; K152-E156 VanDerWaalsContact O-N 3.12Å; K152-S251 PolarHBondContact NZ-OG 2.74Å; K152-T255 WeakPolarHBondContact CE-OG1 3.47Å; K152-T255 HydrophobicContact CG-CG2 4.19Å |
| 153 | V | 94.2 | Very high | 88.5 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 178.1 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | R109 M112 K149 L150 L151 E156 E157 | R109-V153 HydrophobicContact CG-CG2 3.64Å; M112-V153 HydrophobicContact CB-CB 4.14Å; M112-V153 HydrophobicContact CB-CG1 3.94Å; M112-V153 HydrophobicContact CB-CG2 4.3Å; M112-V153 HydrophobicContact SD-CG2 4.36Å; K149-V153 WeakPolarHBondContact O-CG2 3.41Å; K149-V153 PolarHBondContact O-N 3.17Å; K149-V153 VanDerWaalsContact O-N 3.14Å; L150-V153 PolarHBondContact O-N 2.94Å; L151-V153 PolarHBondContact O-N 3.47Å; V153-E156 PolarHBondContact O-N 3.3Å; V153-E157 HydrophobicContact CG1-CG 4.49Å; V153-E157 PolarHBondContact O-N 2.76Å |
| 154 | S | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | Y130 L150 L151 K152 E157 F158 | Y130-S154 PolarHBondContact OH-OG 3.32Å; L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.21Å; L150-S154 PolarHBondContact O-OG 3.12Å; L151-S154 WeakPolarHBondContact O-CB 3.49Å; L151-S154 PolarHBondContact O-N 2.84Å; K152-S154 VanDerWaalsContact C-N 3.28Å; K152-S154 PolarHBondContact O-N 3.03Å; S154-E157 PolarHBondContact O-N 3.24Å; S154-F158 WeakPolarHBondContact O-CB 3.4Å; S154-F158 VanDerWaalsContact O-CD2 3.25Å; S154-F158 WeakPolarHBondContact O-CD2 3.48Å; S154-F158 PolarHBondContact O-N 3.27Å |
| 155 | I | 92.5 | Very high | 86.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 177.8 | -65.5 | 162.7 | 0 | 0 | 0 | 110.6 | L151 K152 E157 F158 V159 T183 T255 L256 T259 | L151-I155 HydrophobicContact CD1-CD1 3.85Å; L151-I155 HydrophobicContact CD1-CG1 4.16Å; L151-I155 HydrophobicContact CG-CD1 3.86Å; L151-I155 WeakPolarHBondContact O-CG1 3.26Å; L151-I155 PolarHBondContact O-N 3Å; K152-I155 PolarHBondContact O-N 3.49Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.37Å; I155-F158 PolarHBondContact O-N 3.44Å; I155-V159 HydrophobicContact CG2-CG2 4.22Å; I155-V159 WeakPolarHBondContact O-CB 3.29Å; I155-V159 PolarHBondContact O-N 2.91Å; I155-T183 HydrophobicContact CD1-CG2 4.21Å; I155-T183 HydrophobicContact CG1-CG2 4.05Å; I155-T255 HydrophobicContact CB-CG2 4.08Å; I155-T255 HydrophobicContact CG2-CG2 3.85Å; I155-L256 HydrophobicContact CD1-CD2 3.38Å; I155-L256 HydrophobicContact CD1-CG 3.91Å; I155-T259 HydrophobicContact CG2-CG2 3.42Å; I155-T259 VanDerWaalsContact CG2-CG2 3.42Å |
| 156 | E | 90.3 | Very high | 85.5 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -58 | -43.2 | 176 | -69.5 | 171.6 | 176.2 | 0 | 0 | 111.4 | R109 K152 V153 E160 S161 T255 | R109-E156 IonicContact CZ-OE2 2.97Å; R109-E156 IonicContact NE-OE2 3.08Å; R109-E156 VanDerWaalsContact NH2-CD 3.29Å; R109-E156 IonicContact NH2-OE1 2.78Å; R109-E156 PolarHBondContact NH2-OE1 3.23Å; R109-E156 IonicContact NH2-OE2 3.85Å; R109-E156 PolarHBondContact NH2-OE2 3.03Å; K152-E156 WeakPolarHBondContact O-CG 3.31Å; K152-E156 PolarHBondContact O-N 3.27Å; K152-E156 VanDerWaalsContact O-N 3.12Å; V153-E156 PolarHBondContact O-N 3.3Å; E156-E160 CarbonylContact O-C 3.56Å; E156-E160 WeakPolarHBondContact O-CA 3.33Å; E156-E160 WeakPolarHBondContact O-CB 3.43Å; E156-E160 PolarHBondContact O-N 2.59Å; E156-E160 VanDerWaalsContact O-N 3.12Å; E156-S161 PolarHBondContact O-N 3.22Å; E156-T255 HydrophobicContact CG-CG2 4.29Å |
| 157 | E | 89 | Confident | 84.9 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -72.7 | -42 | 178.4 | -73.1 | -59.5 | 163 | 0 | 0 | 113.5 | S113 A116 R120 V153 S154 I155 S161 | S113-E157 VanDerWaalsContact OG-CD 3.32Å; S113-E157 PolarHBondContact OG-OE1 3.09Å; A116-E157 HydrophobicContact CB-CB 4.12Å; A116-E157 HydrophobicContact CB-CG 4.35Å; R120-E157 PolarHBondContact NH1-O 3Å; V153-E157 HydrophobicContact CG1-CG 4.49Å; V153-E157 PolarHBondContact O-N 2.76Å; S154-E157 PolarHBondContact O-N 3.24Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.37Å; E157-S161 WeakPolarHBondContact O-CB 3.44Å; E157-S161 WeakPolarHBondContact OE2-CB 3.36Å; E157-S161 PolarHBondContact OE2-OG 2.77Å; E157-S161 VanDerWaalsContact OE2-OG 3.06Å |
| 158 | F | 90.5 | Very high | 84.4 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -74.9 | -35.1 | -177.9 | -86 | -103.4 | 0 | 0 | 0 | 112.9 | A116 T119 R120 S154 I155 M175 A179 | A116-F158 HydrophobicContact CB-CD2 4.49Å; A116-F158 HydrophobicContact CB-CE2 4.19Å; A116-F158 WeakPolarHBondContact O-CE2 3.41Å; T119-F158 HydrophobicContact CG2-CZ 4.09Å; R120-F158 HydrophobicContact CB-CD1 4.44Å; R120-F158 HydrophobicContact CB-CE1 3.89Å; R120-F158 HydrophobicContact CB-CE2 4.19Å; R120-F158 HydrophobicContact CB-CZ 3.76Å; R120-F158 HydrophobicContact CG-CD1 4.29Å; R120-F158 HydrophobicContact CG-CE1 4.1Å; R120-F158 HydrophobicContact CG-CZ 4.46Å; S154-F158 WeakPolarHBondContact O-CB 3.4Å; S154-F158 VanDerWaalsContact O-CD2 3.25Å; S154-F158 WeakPolarHBondContact O-CD2 3.48Å; S154-F158 PolarHBondContact O-N 3.27Å; I155-F158 PolarHBondContact O-N 3.44Å; F158-M175 HydrophobicContact CD1-CB 4.44Å; F158-A179 HydrophobicContact CB-CB 3.6Å; F158-A179 HydrophobicContact CD1-CB 3.77Å; F158-A179 HydrophobicContact CG-CB 3.94Å |
| 159 | V | 84.2 | Confident | 83.9 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -108.6 | -41.9 | -167.5 | -171.4 | 0 | 0 | 0 | 0 | 113.1 | I155 K176 A179 V180 T259 | I155-V159 HydrophobicContact CG2-CG2 4.22Å; I155-V159 WeakPolarHBondContact O-CB 3.29Å; I155-V159 PolarHBondContact O-N 2.91Å; V159-K176 HydrophobicContact CG1-CD 4.5Å; V159-K176 HydrophobicContact CG1-CG 4.31Å; V159-K176 VanDerWaalsContact O-CE 3.27Å; V159-K176 WeakPolarHBondContact O-CE 3.49Å; V159-K176 PolarHBondContact O-NZ 3.25Å; V159-A179 HydrophobicContact CG2-CB 4.33Å; V159-V180 HydrophobicContact CG1-CG2 4.14Å; V159-V180 HydrophobicContact CG2-CG2 4.08Å; V159-T259 HydrophobicContact CB-CG2 4.09Å; V159-T259 HydrophobicContact CG1-CG2 3.77Å; V159-T259 HydrophobicContact CG2-CG2 4.2Å |
| 160 | E | 72.3 | Confident | 83.5 | Confident | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -97.4 | -26.9 | -171.2 | -61.4 | 176 | -153.3 | 0 | 0 | 112.9 | E156 N162 R258 | E156-E160 CarbonylContact O-C 3.56Å; E156-E160 WeakPolarHBondContact O-CA 3.33Å; E156-E160 WeakPolarHBondContact O-CB 3.43Å; E156-E160 PolarHBondContact O-N 2.59Å; E156-E160 VanDerWaalsContact O-N 3.12Å; E160-N162 PolarHBondContact O-N 2.96Å; E160-N162 VanDerWaalsContact O-N 3.16Å; E160-R258 IonicContact OE1-CZ 3.29Å; E160-R258 IonicContact OE1-NE 3.65Å; E160-R258 IonicContact OE1-NH1 2.98Å; E160-R258 PolarHBondContact OE1-NH1 2.95Å; E160-R258 IonicContact OE1-NH2 2.96Å; E160-R258 PolarHBondContact OE1-NH2 3.15Å; E160-R258 IonicContact OE2-CZ 3.22Å; E160-R258 IonicContact OE2-NH1 2.69Å; E160-R258 PolarHBondContact OE2-NH1 2.96Å; E160-R258 IonicContact OE2-NH2 2.77Å; E160-R258 PolarHBondContact OE2-NH2 2.86Å |
| 161 | S | 72.7 | Confident | 83.1 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -79.7 | 98.8 | -175.8 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | E156 E157 R163 | E156-S161 PolarHBondContact O-N 3.22Å; E157-S161 WeakPolarHBondContact O-CB 3.44Å; E157-S161 WeakPolarHBondContact OE2-CB 3.36Å; E157-S161 PolarHBondContact OE2-OG 2.77Å; E157-S161 VanDerWaalsContact OE2-OG 3.06Å; S161-R163 PolarHBondContact O-N 2.75Å; S161-R163 WeakPolarHBondContact OG-CB 3.42Å | ||
| 162 | N | 67.1 | Low | 82.7 | Confident | 133 Ų | 133 | 66.3 Ų | 66.3 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 6.4 | 163.2 | -71.5 | -16.5 | 0 | 0 | 0 | 112.8 | E160 C164 | E160-N162 PolarHBondContact O-N 2.96Å; E160-N162 VanDerWaalsContact O-N 3.16Å; N162-C164 VanDerWaalsContact C-N 3.3Å; N162-C164 PolarHBondContact O-N 2.83Å |
| 163 | R | 63.3 | Low | 82.4 | Confident | 216 Ų | 216 | 66.9 Ų | 66.9 | 82% | 0.815 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12.3 | -171.3 | -56.9 | -177.4 | -177 | -170.1 | 1.4 | 113.3 | S161 K165 | S161-R163 PolarHBondContact O-N 2.75Å; S161-R163 WeakPolarHBondContact OG-CB 3.42Å; R163-K165 PolarHBondContact O-N 2.92Å |
| 164 | C | 68.2 | Low | 82.3 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 8% | 0.081 | 33% | 0.329 | C | S | . | . | trans | -73.4 | 94.3 | -179.4 | -159.7 | 0 | 0 | 0 | 0 | 111.4 | R120 N162 T166 L172 | R120-C164 VanDerWaalsContact CZ-SG 3.55Å; R120-C164 VanDerWaalsContact NH2-CB 3.28Å; R120-C164 PolarHBondContact NH2-SG 3.03Å; R120-C164 VanDerWaalsContact NH2-SG 3.38Å; N162-C164 VanDerWaalsContact C-N 3.3Å; N162-C164 PolarHBondContact O-N 2.83Å; C164-T166 PolarHBondContact SG-OG1 3.01Å; C164-L172 HydrophobicContact CB-CD1 3.91Å | ||
| 165 | K | 70.9 | Confident | 82.1 | Confident | 201 Ų | 201 | 70.5 Ų | 70.5 | 87% | 0.874 | 33% | 0.329 | S | S | * | . | trans | -86.4 | -8.4 | 176.5 | -64.2 | -174.1 | 179.6 | -177.1 | 0 | 113.9 | R163 | R163-K165 PolarHBondContact O-N 2.92Š| ||
| 166 | T | 78.7 | Confident | 82 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -89.8 | -17.5 | -172.6 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | T73 P77 H121 C164 | T73-T166 HydrophobicContact CG2-CG2 3.62Å; P77-T166 HydrophobicContact CG-CG2 4.42Å; H121-T166 PolarHBondContact CE1-OG1 2.9Å; H121-T166 WeakPolarHBondContact NE2-CB 3.36Å; H121-T166 PolarHBondContact NE2-OG1 3.13Å; C164-T166 PolarHBondContact SG-OG1 3.01Å |
| 167 | L | 82.1 | Confident | 81.9 | Confident | 27 Ų | 27 | 75 Ų | 75 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -101.5 | 142.7 | 176.8 | -81 | 160.9 | 0 | 0 | 0 | 110.6 | R120 R171 | R120-L167 HydrophobicContact CG-CD1 3.85Å; L167-R171 HydrophobicContact CD2-CB 4.44Å; L167-R171 HydrophobicContact CD2-CG 3.92Å |
| 168 | P | 84.4 | Confident | 82 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | trans | -57.1 | 144.9 | 167.6 | -21.8 | 32.4 | 0 | 0 | 0 | 111.3 | E170 R171 L172 | P168-E170 VanDerWaalsContact C-N 3.28Å; P168-E170 PolarHBondContact O-N 3.2Å; P168-R171 PolarHBondContact O-N 3.26Å; P168-R171 VanDerWaalsContact O-N 3.13Å; P168-L172 PolarHBondContact O-N 2.89Å | ||
| 169 | Y | 86.8 | Confident | 82 | Confident | 168 Ų | 168 | 74.4 Ų | 74.4 | 66% | 0.659 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -53.8 | -42.2 | -176.8 | 177.7 | -99.5 | 0 | 0 | 0 | 113.1 | R171 L172 Q173 | Y169-R171 PolarHBondContact O-N 2.69Å; Y169-L172 WeakPolarHBondContact O-CB 3.22Å; Y169-L172 PolarHBondContact O-N 2.91Å; Y169-Q173 HydrophobicContact CD1-CG 4.2Å; Y169-Q173 HydrophobicContact CD2-CG 4.49Å; Y169-Q173 HydrophobicContact CE1-CG 3.74Å; Y169-Q173 HydrophobicContact CE2-CG 4.07Å; Y169-Q173 VanDerWaalsContact CE2-NE2 3.26Å; Y169-Q173 WeakPolarHBondContact O-CG 3.29Å; Y169-Q173 PolarHBondContact O-N 3.46Å; Y169-Q173 PolarHBondContact OH-NE2 2.98Å |
| 170 | E | 86.2 | Confident | 82.3 | Confident | 164 Ų | 164 | 75 Ų | 75 | 77% | 0.766 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 179.4 | -65.5 | 176.4 | 178.2 | 0 | 0 | 112.3 | P168 L172 Q173 H174 | P168-E170 VanDerWaalsContact C-N 3.28Å; P168-E170 PolarHBondContact O-N 3.2Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 2.89Å; E170-Q173 PolarHBondContact O-N 3.48Å; E170-H174 WeakPolarHBondContact O-CB 3.43Å; E170-H174 PolarHBondContact O-N 3.5Å |
| 171 | R | 87.1 | Confident | 83.1 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 27% | 0.268 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 177.2 | -173.6 | 63.4 | 176.4 | 170.4 | 5.9 | 111 | S122 E124 L167 P168 Y169 H174 M175 | S122-R171 PolarHBondContact O-NH2 3.37Å; E124-R171 IonicContact OE1-CZ 2.72Å; E124-R171 IonicContact OE1-NH1 3.75Å; E124-R171 PolarHBondContact OE1-NH1 3.36Å; L167-R171 HydrophobicContact CD2-CB 4.44Å; L167-R171 HydrophobicContact CD2-CG 3.92Å; P168-R171 PolarHBondContact O-N 3.26Å; P168-R171 VanDerWaalsContact O-N 3.13Å; Y169-R171 PolarHBondContact O-N 2.69Å; R171-H174 PolarHBondContact O-N 3.09Å; R171-M175 WeakPolarHBondContact O-CG 3.35Å; R171-M175 PolarHBondContact O-N 3.18Å |
| 172 | L | 87.8 | Confident | 84 | Confident | 19 Ų | 19 | 78.7 Ų | 78.7 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.9 | -174 | 67.4 | 0 | 0 | 0 | 111.6 | C164 P168 Y169 E170 H174 M175 K176 | C164-L172 HydrophobicContact CB-CD1 3.91Å; P168-L172 PolarHBondContact O-N 2.89Å; Y169-L172 WeakPolarHBondContact O-CB 3.22Å; Y169-L172 PolarHBondContact O-N 2.91Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 2.89Å; L172-H174 VanDerWaalsContact C-N 3.35Å; L172-M175 PolarHBondContact O-N 3.01Å; L172-K176 WeakPolarHBondContact O-CB 3.49Å; L172-K176 PolarHBondContact O-N 3.14Å |
| 173 | Q | 89 | Confident | 85.1 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.9 | -67.1 | -56 | -34.2 | 0 | 0 | 112.1 | Y169 E170 K176 A177 | Y169-Q173 HydrophobicContact CD1-CG 4.2Å; Y169-Q173 HydrophobicContact CD2-CG 4.49Å; Y169-Q173 HydrophobicContact CE1-CG 3.74Å; Y169-Q173 HydrophobicContact CE2-CG 4.07Å; Y169-Q173 VanDerWaalsContact CE2-NE2 3.26Å; Y169-Q173 WeakPolarHBondContact O-CG 3.29Å; Y169-Q173 PolarHBondContact O-N 3.46Å; Y169-Q173 PolarHBondContact OH-NE2 2.98Å; E170-Q173 PolarHBondContact O-N 3.48Å; Q173-K176 WeakPolarHBondContact O-CB 3.42Å; Q173-K176 PolarHBondContact O-N 2.97Å; Q173-A177 PolarHBondContact O-N 3.42Å |
| 174 | H | 90.6 | Very high | 86.3 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 39% | 0.389 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 176.6 | -173.9 | 62.4 | 0 | 0 | 0 | 112.3 | E124 E170 R171 L172 K176 A177 F178 | E124-H174 VanDerWaalsContact CD-NE2 3.31Å; E124-H174 IonicContact OE1-CD2 3.57Å; E124-H174 PolarHBondContact OE1-CD2 2.9Å; E124-H174 IonicContact OE1-CE1 3.82Å; E124-H174 IonicContact OE1-NE2 2.65Å; E124-H174 PolarHBondContact OE1-NE2 3.36Å; E124-H174 IonicContact OE2-NE2 3.59Å; E170-H174 WeakPolarHBondContact O-CB 3.43Å; E170-H174 PolarHBondContact O-N 3.5Å; R171-H174 PolarHBondContact O-N 3.09Å; L172-H174 VanDerWaalsContact C-N 3.35Å; H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.44Å; H174-A177 PolarHBondContact O-N 2.91Å; H174-F178 WeakPolarHBondContact O-CB 3.5Å; H174-F178 PolarHBondContact O-N 3.39Å |
| 175 | M | 89.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -35 | 175 | -70.2 | -60.1 | 93.9 | 0 | 0 | 112.6 | R120 E124 F158 R171 L172 A179 | R120-M175 HydrophobicContact CG-CB 4.24Å; R120-M175 HydrophobicContact CG-CG 4.39Å; E124-M175 HydrophobicContact CG-CE 3.69Å; F158-M175 HydrophobicContact CD1-CB 4.44Å; R171-M175 WeakPolarHBondContact O-CG 3.35Å; R171-M175 PolarHBondContact O-N 3.18Å; L172-M175 PolarHBondContact O-N 3.01Å; M175-A179 WeakPolarHBondContact O-CB 3.3Å; M175-A179 PolarHBondContact O-N 2.92Å |
| 176 | K | 90.3 | Very high | 88.5 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 30% | 0.296 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | 173 | 175 | 169.6 | 179.4 | 163.7 | 0 | 111.5 | V159 L172 Q173 H174 F178 A179 V180 | V159-K176 HydrophobicContact CG1-CD 4.5Å; V159-K176 HydrophobicContact CG1-CG 4.31Å; V159-K176 VanDerWaalsContact O-CE 3.27Å; V159-K176 WeakPolarHBondContact O-CE 3.49Å; V159-K176 PolarHBondContact O-NZ 3.25Å; L172-K176 WeakPolarHBondContact O-CB 3.49Å; L172-K176 PolarHBondContact O-N 3.14Å; Q173-K176 WeakPolarHBondContact O-CB 3.42Å; Q173-K176 PolarHBondContact O-N 2.97Å; H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.44Å; K176-F178 VanDerWaalsContact C-N 3.33Å; K176-F178 PolarHBondContact O-N 3.45Å; K176-A179 PolarHBondContact O-N 3.45Å; K176-V180 WeakPolarHBondContact O-CG2 3.38Å; K176-V180 PolarHBondContact O-N 3.27Å |
| 177 | A | 89.8 | Confident | 89.2 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q173 H174 V180 Q181 | Q173-A177 PolarHBondContact O-N 3.42Å; H174-A177 PolarHBondContact O-N 2.91Å; A177-V180 PolarHBondContact O-N 3.43Å; A177-Q181 PolarHBondContact O-N 3.29Å |
| 178 | F | 91.1 | Very high | 89.7 | Confident | 24 Ų | 24 | 57 Ų | 57 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 174.7 | 179.2 | -94.7 | 0 | 0 | 0 | 111.9 | A127 A128 F131 H174 K176 V180 Q181 Q182 | A127-F178 HydrophobicContact CB-CD1 4.45Å; A127-F178 HydrophobicContact CB-CE1 3.85Å; A128-F178 HydrophobicContact CB-CZ 4.02Å; F131-F178 AromaticContact CD2-CE1 3.92Å; F131-F178 HydrophobicContact CD2-CE1 3.92Å; F131-F178 HydrophobicContact CE2-CD1 4.25Å; F131-F178 AromaticContact CE2-CE1 3.95Å; F131-F178 HydrophobicContact CE2-CE1 3.95Å; H174-F178 WeakPolarHBondContact O-CB 3.5Å; H174-F178 PolarHBondContact O-N 3.39Å; K176-F178 VanDerWaalsContact C-N 3.33Å; K176-F178 PolarHBondContact O-N 3.45Å; F178-V180 PolarHBondContact O-N 2.93Å; F178-Q181 WeakPolarHBondContact O-CB 3.47Å; F178-Q181 PolarHBondContact O-N 3.31Å; F178-Q182 HydrophobicContact CD1-CG 4.46Å; F178-Q182 HydrophobicContact CE1-CG 4.07Å; F178-Q182 HydrophobicContact CZ-CG 4.27Å; F178-Q182 WeakPolarHBondContact O-CG 3.31Å; F178-Q182 PolarHBondContact O-N 2.93Å |
| 179 | A | 90.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F131 F158 V159 M175 K176 Q181 Q182 T183 | F131-A179 HydrophobicContact CZ-CB 4.03Å; F158-A179 HydrophobicContact CB-CB 3.6Å; F158-A179 HydrophobicContact CD1-CB 3.77Å; F158-A179 HydrophobicContact CG-CB 3.94Å; V159-A179 HydrophobicContact CG2-CB 4.33Å; M175-A179 WeakPolarHBondContact O-CB 3.3Å; M175-A179 PolarHBondContact O-N 2.92Å; K176-A179 PolarHBondContact O-N 3.45Å; A179-Q181 VanDerWaalsContact C-N 3.29Å; A179-Q181 PolarHBondContact O-N 2.99Å; A179-Q182 PolarHBondContact O-N 3.13Å; A179-Q182 VanDerWaalsContact O-N 3.1Å; A179-T183 VanDerWaalsContact O-CG2 3.27Å; A179-T183 WeakPolarHBondContact O-CG2 3.36Å; A179-T183 PolarHBondContact O-N 2.88Å; A179-T183 VanDerWaalsContact O-N 3.11Å |
| 180 | V | 89.6 | Confident | 90.6 | Very high | 28 Ų | 28 | 46 Ų | 46 | 17% | 0.17 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -43.8 | 175.4 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | V159 K176 A177 F178 Q182 T183 | V159-V180 HydrophobicContact CG1-CG2 4.14Å; V159-V180 HydrophobicContact CG2-CG2 4.08Å; K176-V180 WeakPolarHBondContact O-CG2 3.38Å; K176-V180 PolarHBondContact O-N 3.27Å; A177-V180 PolarHBondContact O-N 3.43Å; F178-V180 PolarHBondContact O-N 2.93Å; V180-Q182 VanDerWaalsContact C-N 3.28Å; V180-Q182 PolarHBondContact O-N 3.28Å; V180-T183 PolarHBondContact O-N 3.07Å; V180-T183 VanDerWaalsContact O-N 3.1Å; V180-T183 PolarHBondContact O-OG1 2.97Å |
| 181 | Q | 89.9 | Confident | 91 | Very high | 133 Ų | 133 | 38.2 Ų | 38.2 | 62% | 0.621 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -60.5 | -36.7 | 177.4 | -168.8 | -178.2 | 10.6 | 0 | 0 | 112.7 | A177 F178 A179 | A177-Q181 PolarHBondContact O-N 3.29Å; F178-Q181 WeakPolarHBondContact O-CB 3.47Å; F178-Q181 PolarHBondContact O-N 3.31Å; A179-Q181 VanDerWaalsContact C-N 3.29Å; A179-Q181 PolarHBondContact O-N 2.99Å |
| 182 | Q | 90.3 | Very high | 91.4 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 16% | 0.164 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.5 | -28.1 | 177.2 | -58.1 | -56.3 | -34.4 | 0 | 0 | 112.5 | F131 F178 A179 V180 S184 Q185 F186 | F131-Q182 HydrophobicContact CB-CB 4.45Å; F131-Q182 HydrophobicContact CB-CG 4.37Å; F131-Q182 HydrophobicContact CD1-CB 4.2Å; F131-Q182 HydrophobicContact CD2-CB 4.24Å; F131-Q182 HydrophobicContact CD2-CG 3.83Å; F131-Q182 HydrophobicContact CE2-CG 4.3Å; F131-Q182 HydrophobicContact CG-CB 4.05Å; F131-Q182 HydrophobicContact CG-CG 4.05Å; F178-Q182 HydrophobicContact CD1-CG 4.46Å; F178-Q182 HydrophobicContact CE1-CG 4.07Å; F178-Q182 HydrophobicContact CZ-CG 4.27Å; F178-Q182 WeakPolarHBondContact O-CG 3.31Å; F178-Q182 PolarHBondContact O-N 2.93Å; A179-Q182 PolarHBondContact O-N 3.13Å; A179-Q182 VanDerWaalsContact O-N 3.1Å; V180-Q182 VanDerWaalsContact C-N 3.28Å; V180-Q182 PolarHBondContact O-N 3.28Å; Q182-S184 VanDerWaalsContact C-N 3.28Å; Q182-S184 PolarHBondContact O-N 3.41Å; Q182-Q185 PolarHBondContact O-N 2.84Å; Q182-F186 HydrophobicContact CB-CE2 4.45Å; Q182-F186 WeakPolarHBondContact O-CD2 3.46Å |
| 183 | T | 90.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -29.6 | -174.3 | 62.5 | 0 | 0 | 0 | 0 | 114.7 | I155 A179 V180 Q185 F186 Y187 L256 V260 | I155-T183 HydrophobicContact CD1-CG2 4.21Å; I155-T183 HydrophobicContact CG1-CG2 4.05Å; A179-T183 VanDerWaalsContact O-CG2 3.27Å; A179-T183 WeakPolarHBondContact O-CG2 3.36Å; A179-T183 PolarHBondContact O-N 2.88Å; A179-T183 VanDerWaalsContact O-N 3.11Å; V180-T183 PolarHBondContact O-N 3.07Å; V180-T183 VanDerWaalsContact O-N 3.1Å; V180-T183 PolarHBondContact O-OG1 2.97Å; T183-Q185 VanDerWaalsContact C-N 3.29Å; T183-Q185 PolarHBondContact O-N 2.98Å; T183-F186 PolarHBondContact O-N 3.15Å; T183-Y187 PolarHBondContact O-N 2.71Å; T183-L256 HydrophobicContact CG2-CD2 4.2Å; T183-V260 WeakPolarHBondContact OG1-CG2 3.42Å |
| 184 | S | 88.3 | Confident | 92 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -36.9 | -179.3 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | Q182 Y187 S188 | Q182-S184 VanDerWaalsContact C-N 3.28Å; Q182-S184 PolarHBondContact O-N 3.41Å; S184-Y187 PolarHBondContact O-N 3.38Å; S184-S188 PolarHBondContact O-N 3.43Å; S184-S188 VanDerWaalsContact O-N 3.12Å; S184-S188 PolarHBondContact O-OG 3.21Å |
| 185 | Q | 91 | Very high | 92.2 | Very high | 110 Ų | 110 | 30.6 Ų | 30.6 | 51% | 0.514 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68 | -40.7 | 179.4 | -60.6 | -178.5 | 13.5 | 0 | 0 | 111.6 | L135 Q182 T183 Y187 S188 L189 | L135-Q185 HydrophobicContact CD1-CB 4.01Å; Q182-Q185 PolarHBondContact O-N 2.84Å; T183-Q185 VanDerWaalsContact C-N 3.29Å; T183-Q185 PolarHBondContact O-N 2.98Å; Q185-Y187 VanDerWaalsContact C-N 3.35Å; Q185-S188 PolarHBondContact O-N 2.77Å; Q185-L189 WeakPolarHBondContact O-CB 3.48Å; Q185-L189 PolarHBondContact O-N 3.15Å |
| 186 | F | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 175.8 | -66.4 | -74.1 | 0 | 0 | 0 | 112.1 | F131 M134 L135 I138 L151 Q182 T183 L189 I190 L256 | F131-F186 HydrophobicContact CB-CE2 4.26Å; F131-F186 HydrophobicContact CB-CZ 4.19Å; F131-F186 AromaticContact CD1-CE2 3.66Å; F131-F186 HydrophobicContact CD1-CE2 3.66Å; F131-F186 AromaticContact CD1-CZ 3.99Å; F131-F186 HydrophobicContact CD1-CZ 3.99Å; F131-F186 HydrophobicContact CG-CE2 4.37Å; F131-F186 WeakPolarHBondContact O-CZ 3.27Å; M134-F186 HydrophobicContact CB-CE1 4.08Å; M134-F186 HydrophobicContact CB-CZ 4.16Å; L135-F186 HydrophobicContact CB-CE1 3.95Å; L135-F186 HydrophobicContact CB-CZ 4.31Å; L135-F186 HydrophobicContact CD1-CD1 4.09Å; L135-F186 HydrophobicContact CD1-CE1 3.89Å; L135-F186 HydrophobicContact CD1-CZ 4.18Å; L135-F186 HydrophobicContact CG-CE1 4.32Å; I138-F186 HydrophobicContact CD1-CD1 3.68Å; I138-F186 HydrophobicContact CD1-CE1 3.87Å; L151-F186 HydrophobicContact CD1-CD1 4.02Å; L151-F186 HydrophobicContact CD1-CD2 3.83Å; L151-F186 HydrophobicContact CD1-CE1 4.1Å; L151-F186 HydrophobicContact CD1-CE2 3.94Å; L151-F186 HydrophobicContact CD1-CG 3.86Å; L151-F186 HydrophobicContact CD1-CZ 4.05Å; L151-F186 HydrophobicContact CD2-CB 3.76Å; L151-F186 HydrophobicContact CD2-CD1 3.61Å; L151-F186 HydrophobicContact CD2-CD2 4.49Å; L151-F186 HydrophobicContact CD2-CE1 4.31Å; L151-F186 HydrophobicContact CD2-CG 3.71Å; L151-F186 HydrophobicContact CG-CD1 4.45Å; L151-F186 HydrophobicContact CG-CG 4.46Å; Q182-F186 HydrophobicContact CB-CE2 4.45Å; Q182-F186 WeakPolarHBondContact O-CD2 3.46Å; T183-F186 PolarHBondContact O-N 3.15Å; F186-L189 PolarHBondContact O-N 3.06Å; F186-I190 WeakPolarHBondContact O-CG1 3.49Å; F186-I190 PolarHBondContact O-N 3.01Å; F186-L256 HydrophobicContact CB-CD1 4.32Å; F186-L256 HydrophobicContact CB-CD2 4.07Å |
| 187 | Y | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -54.5 | 175 | 174.8 | -102.1 | 0 | 0 | 0 | 111.1 | T183 S184 Q185 L189 I190 I191 L253 V257 V260 L265 L271 | T183-Y187 PolarHBondContact O-N 2.71Å; S184-Y187 PolarHBondContact O-N 3.38Å; Q185-Y187 VanDerWaalsContact C-N 3.35Å; Y187-L189 VanDerWaalsContact C-N 3.29Å; Y187-L189 PolarHBondContact O-N 2.93Å; Y187-I190 PolarHBondContact O-N 2.98Å; Y187-I191 HydrophobicContact CD1-CG1 4.44Å; Y187-I191 HydrophobicContact CD2-CG1 4.27Å; Y187-I191 HydrophobicContact CE1-CG1 4.19Å; Y187-I191 HydrophobicContact CE2-CD1 3.97Å; Y187-I191 HydrophobicContact CE2-CG1 3.98Å; Y187-I191 HydrophobicContact CG-CG1 4.49Å; Y187-I191 WeakPolarHBondContact O-CG1 3.35Å; Y187-I191 PolarHBondContact O-N 3.31Å; Y187-L253 HydrophobicContact CD2-CD2 3.58Å; Y187-L253 HydrophobicContact CE2-CD2 3.87Å; Y187-V257 HydrophobicContact CD2-CG2 4.39Å; Y187-V257 HydrophobicContact CE2-CG2 3.89Å; Y187-V260 HydrophobicContact CG-CG2 4.37Å; Y187-L265 HydrophobicContact CD1-CD2 4.29Å; Y187-L265 HydrophobicContact CD2-CD2 4.06Å; Y187-L265 HydrophobicContact CE1-CD2 3.88Å; Y187-L265 HydrophobicContact CE2-CD2 3.65Å; Y187-L265 HydrophobicContact CG-CD2 4.36Å; Y187-L271 WeakPolarHBondContact OH-CD2 3.47Å |
| 188 | S | 92 | Very high | 92.7 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 30% | 0.301 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.2 | -40.8 | 178 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | S184 Q185 I191 E192 | S184-S188 PolarHBondContact O-N 3.43Å; S184-S188 VanDerWaalsContact O-N 3.12Å; S184-S188 PolarHBondContact O-OG 3.21Å; Q185-S188 PolarHBondContact O-N 2.77Å; S188-I191 PolarHBondContact O-N 3.34Å; S188-E192 WeakPolarHBondContact O-CB 3.22Å; S188-E192 PolarHBondContact O-N 2.97Å |
| 189 | L | 94.5 | Very high | 92.6 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 178.7 | 179.5 | 60.8 | 0 | 0 | 0 | 112.6 | L135 I138 T139 Q185 F186 Y187 E192 L193 | L135-L189 HydrophobicContact CG-CD2 4.15Å; I138-L189 HydrophobicContact CB-CD2 4.07Å; I138-L189 HydrophobicContact CG2-CD2 3.59Å; I138-L189 HydrophobicContact CG2-CG 4.1Å; T139-L189 HydrophobicContact CG2-CD1 4.42Å; T139-L189 HydrophobicContact CG2-CD2 4.39Å; Q185-L189 WeakPolarHBondContact O-CB 3.48Å; Q185-L189 PolarHBondContact O-N 3.15Å; F186-L189 PolarHBondContact O-N 3.06Å; Y187-L189 VanDerWaalsContact C-N 3.29Å; Y187-L189 PolarHBondContact O-N 2.93Å; L189-E192 PolarHBondContact O-N 3.36Å; L189-L193 HydrophobicContact CG-CD1 4.47Å; L189-L193 WeakPolarHBondContact O-CG 3.14Å; L189-L193 PolarHBondContact O-N 3.42Å |
| 190 | I | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 179.7 | -66.5 | 178 | 0 | 0 | 0 | 110.6 | L151 F186 Y187 E192 L193 I194 E249 C252 L253 L256 | L151-I190 HydrophobicContact CD2-CD1 4.3Å; F186-I190 WeakPolarHBondContact O-CG1 3.49Å; F186-I190 PolarHBondContact O-N 3.01Å; Y187-I190 PolarHBondContact O-N 2.98Å; I190-E192 VanDerWaalsContact C-N 3.3Å; I190-E192 PolarHBondContact O-N 3.29Å; I190-L193 PolarHBondContact O-N 2.98Å; I190-I194 HydrophobicContact CG2-CD1 4.16Å; I190-I194 HydrophobicContact CG2-CG1 4.49Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.13Å; I190-E249 HydrophobicContact CG2-CB 3.85Å; I190-E249 HydrophobicContact CG2-CG 4.2Å; I190-C252 HydrophobicContact CD1-CB 4.01Å; I190-C252 VanDerWaalsContact CD1-SG 3.59Å; I190-L253 HydrophobicContact CB-CD2 4.1Å; I190-L253 HydrophobicContact CB-CG 4.45Å; I190-L253 HydrophobicContact CG2-CD1 4.07Å; I190-L253 HydrophobicContact CG2-CD2 3.87Å; I190-L253 HydrophobicContact CG2-CG 3.67Å; I190-L256 HydrophobicContact CD1-CD1 3.6Å |
| 191 | I | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 173.4 | -65.6 | -70.5 | 0 | 0 | 0 | 110.6 | Y187 S188 L193 I194 S195 P207 L253 I273 I274 | Y187-I191 HydrophobicContact CD1-CG1 4.44Å; Y187-I191 HydrophobicContact CD2-CG1 4.27Å; Y187-I191 HydrophobicContact CE1-CG1 4.19Å; Y187-I191 HydrophobicContact CE2-CD1 3.97Å; Y187-I191 HydrophobicContact CE2-CG1 3.98Å; Y187-I191 HydrophobicContact CG-CG1 4.49Å; Y187-I191 WeakPolarHBondContact O-CG1 3.35Å; Y187-I191 PolarHBondContact O-N 3.31Å; S188-I191 PolarHBondContact O-N 3.34Å; I191-L193 PolarHBondContact O-N 3.34Å; I191-I194 PolarHBondContact O-N 2.85Å; I191-S195 VanDerWaalsContact O-CB 3.3Å; I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 3.46Å; I191-P207 HydrophobicContact CG2-CG 4.49Å; I191-L253 HydrophobicContact CD1-CD1 3.78Å; I191-L253 HydrophobicContact CD1-CD2 3.97Å; I191-L253 HydrophobicContact CG1-CD2 4.16Å; I191-I273 HydrophobicContact CD1-CG2 3.29Å; I191-I273 HydrophobicContact CG1-CG2 4.47Å; I191-I273 HydrophobicContact CG2-CG2 4.05Å; I191-I274 HydrophobicContact CD1-CG1 4.35Å |
| 192 | E | 94.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 32.3 Ų | 32.3 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.4 | -42 | 176.1 | -170.2 | -173.6 | 157.9 | 0 | 0 | 112.2 | S188 L189 I190 S195 K196 Y206 | S188-E192 WeakPolarHBondContact O-CB 3.22Å; S188-E192 PolarHBondContact O-N 2.97Å; L189-E192 PolarHBondContact O-N 3.36Å; I190-E192 VanDerWaalsContact C-N 3.3Å; I190-E192 PolarHBondContact O-N 3.29Å; E192-S195 PolarHBondContact O-N 2.72Å; E192-K196 HydrophobicContact CG-CD 4.49Å; E192-K196 WeakPolarHBondContact O-CG 3.41Å; E192-K196 PolarHBondContact O-N 2.97Å; E192-K196 WeakPolarHBondContact OE1-CE 3.36Å; E192-K196 IonicContact OE1-NZ 3.18Å; E192-K196 PolarHBondContact OE1-NZ 3.26Å; E192-Y206 WeakPolarHBondContact CA-O 3.46Å |
| 193 | L | 95.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 32.7 Ų | 32.7 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 177.7 | -73.2 | 174.2 | 0 | 0 | 0 | 112.5 | I138 L189 I190 I191 K197 | I138-L193 HydrophobicContact CG2-CD1 3.7Å; L189-L193 HydrophobicContact CG-CD1 4.47Å; L189-L193 WeakPolarHBondContact O-CG 3.14Å; L189-L193 PolarHBondContact O-N 3.42Å; I190-L193 PolarHBondContact O-N 2.98Å; I191-L193 PolarHBondContact O-N 3.34Å; L193-K197 WeakPolarHBondContact O-CG 3.25Å; L193-K197 PolarHBondContact O-N 3.03Å; L193-K197 PolarHBondContact O-NZ 2.84Å |
| 194 | I | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.3 | -46 | 174.6 | -65.6 | 173.8 | 0 | 0 | 0 | 109.7 | I190 I191 K196 K197 L198 L246 E249 L250 L253 I273 L277 | I190-I194 HydrophobicContact CG2-CD1 4.16Å; I190-I194 HydrophobicContact CG2-CG1 4.49Å; I190-I194 WeakPolarHBondContact O-CG1 3.37Å; I190-I194 PolarHBondContact O-N 3.13Å; I191-I194 PolarHBondContact O-N 2.85Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-K196 PolarHBondContact O-N 3.5Å; I194-K197 PolarHBondContact O-N 3.3Å; I194-K197 VanDerWaalsContact O-N 3.11Å; I194-L198 HydrophobicContact CG2-CD1 4Å; I194-L198 PolarHBondContact O-N 3.13Å; I194-L246 HydrophobicContact CG1-CD2 4.28Å; I194-L246 HydrophobicContact CG2-CD2 4.07Å; I194-E249 HydrophobicContact CD1-CB 4.04Å; I194-E249 HydrophobicContact CG1-CB 4.02Å; I194-E249 VanDerWaalsContact CG1-OE2 3.31Å; I194-E249 WeakPolarHBondContact CG1-OE2 3.42Å; I194-L250 HydrophobicContact CD1-CD2 4.23Å; I194-L250 HydrophobicContact CD1-CG 4.3Å; I194-L253 HydrophobicContact CD1-CD1 3.45Å; I194-L253 VanDerWaalsContact CD1-CD1 3.45Å; I194-L253 HydrophobicContact CD1-CG 4.5Å; I194-I273 HydrophobicContact CB-CG1 4.43Å; I194-I273 HydrophobicContact CG2-CD1 4.24Å; I194-I273 HydrophobicContact CG2-CG1 3.7Å; I194-L277 HydrophobicContact CG2-CD1 3.97Å |
| 195 | S | 94.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 179.8 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | I191 E192 K197 L198 A199 A205 Y206 | I191-S195 VanDerWaalsContact O-CB 3.3Å; I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 3.46Å; E192-S195 PolarHBondContact O-N 2.72Å; S195-K197 VanDerWaalsContact C-N 3.35Å; S195-K197 PolarHBondContact O-N 3.14Å; S195-L198 CarbonylContact O-C 3.57Å; S195-L198 PolarHBondContact O-N 3.22Å; S195-A199 WeakPolarHBondContact O-CA 3.36Å; S195-A199 PolarHBondContact O-N 2.91Å; S195-A205 WeakPolarHBondContact OG-CA 3.36Å; S195-Y206 PolarHBondContact OG-N 3.36Å |
| 196 | K | 94 | Very high | 92.2 | Very high | 130 Ų | 130 | 31.4 Ų | 31.4 | 57% | 0.565 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.9 | -40.8 | 175.7 | -78.4 | 175.7 | -176.9 | 166.4 | 0 | 113.1 | E192 I194 L198 | E192-K196 HydrophobicContact CG-CD 4.49Å; E192-K196 WeakPolarHBondContact O-CG 3.41Å; E192-K196 PolarHBondContact O-N 2.97Å; E192-K196 WeakPolarHBondContact OE1-CE 3.36Å; E192-K196 IonicContact OE1-NZ 3.18Å; E192-K196 PolarHBondContact OE1-NZ 3.26Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-K196 PolarHBondContact O-N 3.5Å; K196-L198 PolarHBondContact O-N 3.01Å |
| 197 | K | 93.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68 | -26.8 | 179.2 | -65.9 | -178.3 | -161.6 | 78.3 | 0 | 112.6 | L193 I194 S195 N242 L246 E249 | L193-K197 WeakPolarHBondContact O-CG 3.25Å; L193-K197 PolarHBondContact O-N 3.03Å; L193-K197 PolarHBondContact O-NZ 2.84Å; I194-K197 PolarHBondContact O-N 3.3Å; I194-K197 VanDerWaalsContact O-N 3.11Å; S195-K197 VanDerWaalsContact C-N 3.35Å; S195-K197 PolarHBondContact O-N 3.14Å; K197-N242 HydrophobicContact CD-CB 3.97Å; K197-L246 HydrophobicContact CD-CD2 4.2Å; K197-L246 HydrophobicContact CD-CG 4.41Å; K197-E249 IonicContact NZ-OE1 2.71Å; K197-E249 PolarHBondContact NZ-OE1 3.49Å; K197-E249 IonicContact NZ-OE2 3.92Å; K197-E249 PolarHBondContact NZ-OE2 3.39Å |
| 198 | L | 91.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -110.4 | 9.1 | -175.6 | -60.6 | 175.6 | 0 | 0 | 0 | 113.4 | I194 S195 K196 A200 F201 L202 F235 L277 | I194-L198 HydrophobicContact CG2-CD1 4Å; I194-L198 PolarHBondContact O-N 3.13Å; S195-L198 CarbonylContact O-C 3.57Å; S195-L198 PolarHBondContact O-N 3.22Å; K196-L198 PolarHBondContact O-N 3.01Å; L198-A200 PolarHBondContact O-N 3.47Å; L198-F201 PolarHBondContact O-N 2.83Å; L198-L202 HydrophobicContact CB-CD1 3.92Å; L198-L202 HydrophobicContact CB-CG 4.25Å; L198-L202 WeakPolarHBondContact O-CG 3.32Å; L198-L202 PolarHBondContact O-N 3.25Å; L198-F235 HydrophobicContact CD2-CE2 4.17Å; L198-L277 HydrophobicContact CD1-CD1 4.41Å; L198-L277 HydrophobicContact CD1-CD2 3.71Å; L198-L277 HydrophobicContact CD1-CG 4.38Å |
| 199 | A | 91 | Very high | 91.2 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S195 F201 L202 | S195-A199 WeakPolarHBondContact O-CA 3.36Å; S195-A199 PolarHBondContact O-N 2.91Å; A199-F201 PolarHBondContact O-N 3.31Å; A199-L202 PolarHBondContact O-N 3.36Å |
| 200 | A | 88.9 | Confident | 90.5 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 74% | 0.744 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -18.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L198 | L198-A200 PolarHBondContact O-N 3.47Š|
| 201 | F | 89.7 | Confident | 89.7 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -12.9 | -176.1 | -50.7 | -76.6 | 0 | 0 | 0 | 112.8 | L198 A199 F224 V227 F235 A238 | L198-F201 PolarHBondContact O-N 2.83Å; A199-F201 PolarHBondContact O-N 3.31Å; F201-F224 HydrophobicContact CB-CE2 4Å; F201-F224 WeakPolarHBondContact O-CD2 3.46Å; F201-V227 HydrophobicContact CD1-CG1 4.23Å; F201-F235 HydrophobicContact CB-CD2 4.29Å; F201-F235 HydrophobicContact CD1-CB 4.16Å; F201-F235 HydrophobicContact CD1-CD2 4.09Å; F201-F235 AromaticContact CD2-CD2 3.81Å; F201-F235 HydrophobicContact CD2-CD2 3.81Å; F201-F235 HydrophobicContact CD2-CE2 4.49Å; F201-F235 HydrophobicContact CE1-CB 3.83Å; F201-F235 HydrophobicContact CE1-CD2 4.39Å; F201-F235 HydrophobicContact CE2-CD2 4.15Å; F201-F235 AromaticContact CG-CD2 3.79Å; F201-F235 HydrophobicContact CG-CD2 3.79Å; F201-F235 VanDerWaalsContact CZ-CA 3.46Å; F201-F235 HydrophobicContact CZ-CB 4.08Å; F201-F235 HydrophobicContact CZ-CD2 4.43Å; F201-A238 HydrophobicContact CE2-CB 3.65Å; F201-A238 HydrophobicContact CZ-CB 4.09Å |
| 202 | L | 88.8 | Confident | 89 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -95.4 | 147.6 | -175.6 | -63.8 | 169.7 | 0 | 0 | 0 | 110.9 | L198 A199 C204 Y206 I273 V276 | L198-L202 HydrophobicContact CB-CD1 3.92Å; L198-L202 HydrophobicContact CB-CG 4.25Å; L198-L202 WeakPolarHBondContact O-CG 3.32Å; L198-L202 PolarHBondContact O-N 3.25Å; A199-L202 PolarHBondContact O-N 3.36Å; L202-C204 WeakPolarHBondContact CB-O 3.5Å; L202-C204 PolarHBondContact O-N 3.41Å; L202-Y206 HydrophobicContact CD1-CD2 4.28Å; L202-Y206 HydrophobicContact CD1-CE2 4.37Å; L202-Y206 HydrophobicContact CD2-CE2 4.37Å; L202-I273 HydrophobicContact CD1-CD1 3.44Å; L202-I273 VanDerWaalsContact CD1-CD1 3.44Å; L202-I273 HydrophobicContact CD2-CD1 3.86Å; L202-I273 HydrophobicContact CG-CD1 4.3Å; L202-V276 HydrophobicContact CD2-CG1 3.93Å |
| 203 | P | 85.2 | Confident | 88.1 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -69.4 | -22.9 | 177.4 | 28 | -34.1 | 0 | 0 | 0 | 113.1 | F215 V220 | P203-F215 HydrophobicContact CG-CE2 4.31Å; P203-V220 HydrophobicContact CG-CB 4.44Å; P203-V220 HydrophobicContact CG-CG1 3.98Å; P203-V220 HydrophobicContact CG-CG2 4.09Å |
| 204 | C | 87.7 | Confident | 87.3 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -156 | 171.1 | 179 | 61.5 | 0 | 0 | 0 | 0 | 111.1 | L202 F215 | L202-C204 WeakPolarHBondContact CB-O 3.5Å; L202-C204 PolarHBondContact O-N 3.41Å; C204-F215 WeakPolarHBondContact SG-CZ 3.12Å |
| 205 | A | 89.9 | Confident | 86.9 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | trans | -84.8 | 140.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | S195 | S195-A205 WeakPolarHBondContact OG-CA 3.36Š| ||
| 206 | Y | 90.9 | Very high | 86.6 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -111.3 | 146.2 | 177.6 | -63 | -88.8 | 0 | 0 | 0 | 110.5 | E192 S195 L202 V208 F215 H269 H272 I273 | E192-Y206 WeakPolarHBondContact CA-O 3.46Å; S195-Y206 PolarHBondContact OG-N 3.36Å; L202-Y206 HydrophobicContact CD1-CD2 4.28Å; L202-Y206 HydrophobicContact CD1-CE2 4.37Å; L202-Y206 HydrophobicContact CD2-CE2 4.37Å; Y206-V208 HydrophobicContact CD1-CG2 3.55Å; Y206-V208 HydrophobicContact CE1-CG2 3.61Å; Y206-V208 HydrophobicContact CG-CG2 4.41Å; Y206-F215 HydrophobicContact CE1-CE1 4.34Å; Y206-F215 HydrophobicContact CE1-CZ 4.13Å; Y206-F215 WeakPolarHBondContact OH-CZ 3.36Å; Y206-H269 WeakPolarHBondContact CD1-O 3.43Å; Y206-H269 HydrophobicContact CE1-CB 4.27Å; Y206-H272 HydrophobicContact CD1-CB 4.16Å; Y206-H272 HydrophobicContact CE1-CB 3.37Å; Y206-H272 AromaticContact CE1-CG 3.89Å; Y206-H272 AromaticContact CE1-ND1 3.83Å; Y206-I273 HydrophobicContact CD2-CD1 4.37Å |
| 207 | P | 88.4 | Confident | 86.5 | Confident | 27 Ų | 27 | 59 Ų | 59 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | S | Bend | cis | -63.4 | 144.9 | -6.3 | -16.5 | 29.3 | 0 | 0 | 0 | 113 | I191 R209 D268 | I191-P207 HydrophobicContact CG2-CG 4.49Å; P207-R209 PolarHBondContact O-N 3.03Å; P207-D268 HydrophobicContact CB-CB 3.64Å |
| 208 | V | 87.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | trans | -77.7 | 114.6 | -174.3 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | Y206 E210 V211 F215 D268 H269 | Y206-V208 HydrophobicContact CD1-CG2 3.55Å; Y206-V208 HydrophobicContact CE1-CG2 3.61Å; Y206-V208 HydrophobicContact CG-CG2 4.41Å; V208-E210 VanDerWaalsContact CG1-O 3.26Å; V208-E210 WeakPolarHBondContact CG1-O 3.32Å; V208-V211 HydrophobicContact CG1-CG2 4.07Å; V208-F215 HydrophobicContact CG2-CE1 4.06Å; V208-F215 HydrophobicContact CG2-CZ 4.34Å; V208-D268 PolarHBondContact N-O 2.94Å; V208-H269 HydrophobicContact CB-CB 4.49Å; V208-H269 HydrophobicContact CG2-CB 4.02Å | ||
| 209 | R | 83.5 | Confident | 86.1 | Confident | 232 Ų | 232 | 60.5 Ų | 60.5 | 88% | 0.875 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -82.4 | -35.2 | 177.1 | -63.1 | -174.1 | -177.2 | -173.8 | 0.7 | 113.4 | P207 | P207-R209 PolarHBondContact O-N 3.03Š|
| 210 | E | 79.8 | Confident | 86.2 | Confident | 176 Ų | 176 | 57.8 Ų | 57.8 | 82% | 0.822 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -127.9 | 113.5 | 177.9 | -71 | -176 | 175.1 | 0 | 0 | 108.7 | V208 P212 | V208-E210 VanDerWaalsContact CG1-O 3.26Å; V208-E210 WeakPolarHBondContact CG1-O 3.32Å; E210-P212 WeakPolarHBondContact O-CD 3.38Å |
| 211 | V | 78.6 | Confident | 86.3 | Confident | 81 Ų | 81 | 53.6 Ų | 53.6 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 118.4 | -174.7 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | V208 F215 | V208-V211 HydrophobicContact CG1-CG2 4.07Å; V211-F215 HydrophobicContact CG1-CB 3.85Å; V211-F215 HydrophobicContact CG1-CD1 4.2Å; V211-F215 HydrophobicContact CG1-CG 4.39Å |
| 212 | P | 79.4 | Confident | 86.2 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -62 | 149.7 | 174.1 | -18.7 | 30.1 | 0 | 0 | 0 | 111.7 | E210 G214 F215 | E210-P212 WeakPolarHBondContact O-CD 3.38Å; P212-G214 PolarHBondContact O-N 3.25Å; P212-F215 HydrophobicContact CB-CB 4.14Å; P212-F215 HydrophobicContact CB-CD2 4.36Å; P212-F215 HydrophobicContact CG-CB 4.27Å; P212-F215 HydrophobicContact CG-CD2 3.87Å; P212-F215 HydrophobicContact CG-CG 4.22Å; P212-F215 WeakPolarHBondContact O-CB 3.44Å; P212-F215 PolarHBondContact O-N 3.15Å; P212-F215 VanDerWaalsContact O-N 3.14Å |
| 213 | P | 77.1 | Confident | 86.1 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 88% | 0.877 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 130.4 | 174.9 | 24.7 | -31.9 | 0 | 0 | 0 | 110.9 | F215 | P213-F215 VanDerWaalsContact C-N 3.28Å; P213-F215 PolarHBondContact O-N 2.98Å |
| 214 | G | 78.2 | Confident | 86.3 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 64% | 0.639 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 11.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P212 N216 S219 | P212-G214 PolarHBondContact O-N 3.25Å; G214-N216 PolarHBondContact O-N 2.98Å; G214-S219 PolarHBondContact O-OG 2.85Å |
| 215 | F | 86.9 | Confident | 86.1 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | trans | -70.8 | 109.1 | 176.9 | -166.5 | -101.5 | 0 | 0 | 0 | 110.7 | P203 C204 Y206 V208 V211 P212 P213 V220 H269 H272 | P203-F215 HydrophobicContact CG-CE2 4.31Å; C204-F215 WeakPolarHBondContact SG-CZ 3.12Å; Y206-F215 HydrophobicContact CE1-CE1 4.34Å; Y206-F215 HydrophobicContact CE1-CZ 4.13Å; Y206-F215 WeakPolarHBondContact OH-CZ 3.36Å; V208-F215 HydrophobicContact CG2-CE1 4.06Å; V208-F215 HydrophobicContact CG2-CZ 4.34Å; V211-F215 HydrophobicContact CG1-CB 3.85Å; V211-F215 HydrophobicContact CG1-CD1 4.2Å; V211-F215 HydrophobicContact CG1-CG 4.39Å; P212-F215 HydrophobicContact CB-CB 4.14Å; P212-F215 HydrophobicContact CB-CD2 4.36Å; P212-F215 HydrophobicContact CG-CB 4.27Å; P212-F215 HydrophobicContact CG-CD2 3.87Å; P212-F215 HydrophobicContact CG-CG 4.22Å; P212-F215 WeakPolarHBondContact O-CB 3.44Å; P212-F215 PolarHBondContact O-N 3.15Å; P212-F215 VanDerWaalsContact O-N 3.14Å; P213-F215 VanDerWaalsContact C-N 3.28Å; P213-F215 PolarHBondContact O-N 2.98Å; F215-V220 HydrophobicContact CD2-CG2 4.04Å; F215-V220 HydrophobicContact CE1-CG2 4.21Å; F215-V220 HydrophobicContact CE2-CG2 3.42Å; F215-V220 VanDerWaalsContact CE2-CG2 3.42Å; F215-V220 HydrophobicContact CZ-CG2 3.52Å; F215-H269 HydrophobicContact CE1-CB 4.09Å; F215-H269 AromaticContact CE1-CG 3.97Å; F215-H272 AromaticContact CE1-CE1 3.57Å; F215-H272 AromaticContact CE1-ND1 3.47Å; F215-H272 WeakPolarHBondContact CE1-ND1 3.35Å; F215-H272 AromaticContact CZ-ND1 3.81Å | ||
| 216 | N | 88.5 | Confident | 85.9 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | trans | -142.3 | 166.3 | 175.4 | 64.1 | 47.5 | 0 | 0 | 0 | 109.2 | G214 S218 S219 V220 E321 | G214-N216 PolarHBondContact O-N 2.98Å; N216-S218 VanDerWaalsContact C-N 3.26Å; N216-S218 PolarHBondContact O-N 2.86Å; N216-S218 WeakPolarHBondContact OD1-CB 3.31Å; N216-S218 PolarHBondContact OD1-N 3.11Å; N216-S218 VanDerWaalsContact OD1-N 3.1Å; N216-S219 PolarHBondContact N-OG 3.1Å; N216-S219 PolarHBondContact O-N 3.16Å; N216-S219 PolarHBondContact O-OG 2.67Å; N216-S219 PolarHBondContact OD1-N 3.21Å; N216-S219 PolarHBondContact OD1-OG 2.95Å; N216-V220 WeakPolarHBondContact O-CG2 3.27Å; N216-V220 PolarHBondContact O-N 2.98Å; N216-V220 VanDerWaalsContact O-N 3.15Å; N216-E321 VanDerWaalsContact CA-OE1 3.26Å; N216-E321 WeakPolarHBondContact CA-OE1 3.47Å; N216-E321 WeakPolarHBondContact CB-OE1 2.97Å | ||
| 217 | I | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -35.7 | -176.1 | -168.8 | 54.8 | 0 | 0 | 0 | 112.6 | S219 V220 L221 H272 Y275 E321 F324 F325 | I217-S219 PolarHBondContact O-N 3.12Å; I217-V220 HydrophobicContact CD1-CB 4.49Å; I217-V220 HydrophobicContact CD1-CG1 4.44Å; I217-V220 PolarHBondContact O-N 2.97Å; I217-L221 HydrophobicContact CD1-CD1 4.42Å; I217-L221 HydrophobicContact CD1-CD2 4.25Å; I217-L221 HydrophobicContact CD1-CG 4.03Å; I217-L221 HydrophobicContact CG1-CD1 3.96Å; I217-L221 HydrophobicContact CG1-CG 4.06Å; I217-L221 WeakPolarHBondContact O-CB 3.23Å; I217-L221 VanDerWaalsContact O-CG 3.22Å; I217-L221 WeakPolarHBondContact O-CG 3.38Å; I217-L221 PolarHBondContact O-N 2.89Å; I217-H272 HydrophobicContact CD1-CB 4.19Å; I217-Y275 HydrophobicContact CD1-CD2 3.84Å; I217-Y275 HydrophobicContact CD1-CG 4.17Å; I217-Y275 HydrophobicContact CG1-CD2 3.86Å; I217-Y275 HydrophobicContact CG1-CG 4.25Å; I217-E321 HydrophobicContact CB-CB 4.17Å; I217-E321 HydrophobicContact CG2-CB 3.62Å; I217-E321 HydrophobicContact CG2-CG 4.46Å; I217-E321 PolarHBondContact N-OE1 2.68Å; I217-F324 HydrophobicContact CG2-CB 3.53Å; I217-F325 HydrophobicContact CG1-CB 4.38Å; I217-F325 HydrophobicContact CG2-CB 4.49Å |
| 218 | S | 87.8 | Confident | 85.3 | Confident | 29 Ų | 29 | 63 Ų | 63 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | -178.7 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | N216 V220 L221 E222 | N216-S218 VanDerWaalsContact C-N 3.26Å; N216-S218 PolarHBondContact O-N 2.86Å; N216-S218 WeakPolarHBondContact OD1-CB 3.31Å; N216-S218 PolarHBondContact OD1-N 3.11Å; N216-S218 VanDerWaalsContact OD1-N 3.1Å; S218-V220 VanDerWaalsContact C-N 3.34Å; S218-L221 PolarHBondContact O-N 3.37Å; S218-E222 WeakPolarHBondContact O-CG 3.45Å; S218-E222 PolarHBondContact O-N 3.28Å |
| 219 | S | 89.5 | Confident | 85 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 178.6 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | G214 N216 I217 E222 Q223 | G214-S219 PolarHBondContact O-OG 2.85Å; N216-S219 PolarHBondContact N-OG 3.1Å; N216-S219 PolarHBondContact O-N 3.16Å; N216-S219 PolarHBondContact O-OG 2.67Å; N216-S219 PolarHBondContact OD1-N 3.21Å; N216-S219 PolarHBondContact OD1-OG 2.95Å; I217-S219 PolarHBondContact O-N 3.12Å; S219-E222 PolarHBondContact O-N 3.47Å; S219-Q223 WeakPolarHBondContact O-CB 3.37Å; S219-Q223 PolarHBondContact O-N 3.43Å |
| 220 | V | 92 | Very high | 85 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 173.5 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | P203 F215 N216 I217 S218 Q223 F224 V276 | P203-V220 HydrophobicContact CG-CB 4.44Å; P203-V220 HydrophobicContact CG-CG1 3.98Å; P203-V220 HydrophobicContact CG-CG2 4.09Å; F215-V220 HydrophobicContact CD2-CG2 4.04Å; F215-V220 HydrophobicContact CE1-CG2 4.21Å; F215-V220 HydrophobicContact CE2-CG2 3.42Å; F215-V220 VanDerWaalsContact CE2-CG2 3.42Å; F215-V220 HydrophobicContact CZ-CG2 3.52Å; N216-V220 WeakPolarHBondContact O-CG2 3.27Å; N216-V220 PolarHBondContact O-N 2.98Å; N216-V220 VanDerWaalsContact O-N 3.15Å; I217-V220 HydrophobicContact CD1-CB 4.49Å; I217-V220 HydrophobicContact CD1-CG1 4.44Å; I217-V220 PolarHBondContact O-N 2.97Å; S218-V220 VanDerWaalsContact C-N 3.34Å; V220-Q223 PolarHBondContact O-N 3.37Å; V220-F224 WeakPolarHBondContact O-CB 3.27Å; V220-F224 PolarHBondContact O-N 3Å; V220-V276 HydrophobicContact CG1-CG2 3.78Å |
| 221 | L | 90.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | -179.8 | -67.7 | 176.3 | 0 | 0 | 0 | 112.2 | I217 S218 F224 I225 V276 F279 F325 | I217-L221 HydrophobicContact CD1-CD1 4.42Å; I217-L221 HydrophobicContact CD1-CD2 4.25Å; I217-L221 HydrophobicContact CD1-CG 4.03Å; I217-L221 HydrophobicContact CG1-CD1 3.96Å; I217-L221 HydrophobicContact CG1-CG 4.06Å; I217-L221 WeakPolarHBondContact O-CB 3.23Å; I217-L221 VanDerWaalsContact O-CG 3.22Å; I217-L221 WeakPolarHBondContact O-CG 3.38Å; I217-L221 PolarHBondContact O-N 2.89Å; S218-L221 PolarHBondContact O-N 3.37Å; L221-F224 PolarHBondContact O-N 3.4Å; L221-I225 WeakPolarHBondContact O-CD1 3.04Å; L221-I225 VanDerWaalsContact O-CG1 3.29Å; L221-I225 WeakPolarHBondContact O-CG1 3.46Å; L221-I225 PolarHBondContact O-N 3.44Å; L221-V276 HydrophobicContact CD2-CG2 4.07Å; L221-F279 HydrophobicContact CB-CD1 4.36Å; L221-F279 HydrophobicContact CB-CE1 3.97Å; L221-F279 HydrophobicContact CB-CZ 4.3Å; L221-F279 HydrophobicContact CD1-CD2 4.16Å; L221-F279 HydrophobicContact CD1-CE2 4.17Å; L221-F279 HydrophobicContact CD1-CG 4.39Å; L221-F279 HydrophobicContact CD1-CZ 4.34Å; L221-F279 HydrophobicContact CD2-CB 3.83Å; L221-F279 HydrophobicContact CD2-CD1 3.69Å; L221-F279 HydrophobicContact CD2-CD2 4.33Å; L221-F279 HydrophobicContact CD2-CE1 4.17Å; L221-F279 HydrophobicContact CD2-CG 3.74Å; L221-F279 HydrophobicContact CG-CD1 4.42Å; L221-F279 HydrophobicContact CG-CE1 4.43Å; L221-F325 HydrophobicContact CD1-CD2 3.95Å |
| 222 | E | 87.5 | Confident | 85 | Confident | 138 Ų | 138 | 55.4 Ų | 55.4 | 65% | 0.645 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 175.8 | -78 | -179.5 | -178.3 | 0 | 0 | 111.7 | S218 S219 I225 S226 | S218-E222 WeakPolarHBondContact O-CG 3.45Å; S218-E222 PolarHBondContact O-N 3.28Å; S219-E222 PolarHBondContact O-N 3.47Å; E222-I225 PolarHBondContact O-N 3.33Å; E222-S226 PolarHBondContact O-N 2.91Å; E222-S226 VanDerWaalsContact O-N 3.11Å |
| 223 | Q | 88 | Confident | 85.1 | Confident | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.8 | -171.4 | 174.4 | 4.7 | 0 | 0 | 111.1 | S219 V220 I225 S226 V227 | S219-Q223 WeakPolarHBondContact O-CB 3.37Å; S219-Q223 PolarHBondContact O-N 3.43Å; V220-Q223 PolarHBondContact O-N 3.37Å; Q223-I225 PolarHBondContact O-N 3.02Å; Q223-S226 WeakPolarHBondContact O-CB 3.36Å; Q223-S226 PolarHBondContact O-N 3.33Å; Q223-V227 WeakPolarHBondContact O-CG2 3.32Å; Q223-V227 PolarHBondContact O-N 3.18Å |
| 224 | F | 88.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 178.9 | -177.6 | -111 | 0 | 0 | 0 | 112.1 | F201 V220 L221 S226 V227 L228 F235 V276 V280 | F201-F224 HydrophobicContact CB-CE2 4Å; F201-F224 WeakPolarHBondContact O-CD2 3.46Å; V220-F224 WeakPolarHBondContact O-CB 3.27Å; V220-F224 PolarHBondContact O-N 3Å; L221-F224 PolarHBondContact O-N 3.4Å; F224-S226 VanDerWaalsContact C-N 3.32Å; F224-S226 PolarHBondContact O-N 2.87Å; F224-V227 PolarHBondContact O-N 3.22Å; F224-L228 HydrophobicContact CD1-CD1 3.63Å; F224-L228 HydrophobicContact CE1-CD1 3.11Å; F224-L228 HydrophobicContact CE1-CG 4.13Å; F224-L228 HydrophobicContact CE2-CD1 4.32Å; F224-L228 HydrophobicContact CG-CD1 4.43Å; F224-L228 HydrophobicContact CZ-CD1 3.5Å; F224-L228 HydrophobicContact CZ-CG 4.09Å; F224-L228 WeakPolarHBondContact O-CB 3.32Å; F224-L228 PolarHBondContact O-N 2.66Å; F224-F235 HydrophobicContact CE2-CE2 4.36Å; F224-F235 AromaticContact CZ-CE2 3.96Å; F224-F235 HydrophobicContact CZ-CE2 3.96Å; F224-F235 HydrophobicContact CZ-CZ 4.21Å; F224-V276 HydrophobicContact CD1-CG1 3.65Å; F224-V276 HydrophobicContact CD2-CG1 3.77Å; F224-V276 HydrophobicContact CE1-CG1 3.43Å; F224-V276 VanDerWaalsContact CE1-CG1 3.43Å; F224-V276 HydrophobicContact CE2-CG1 3.6Å; F224-V276 HydrophobicContact CG-CG1 3.8Å; F224-V276 HydrophobicContact CZ-CG1 3.42Å; F224-V276 VanDerWaalsContact CZ-CG1 3.42Å; F224-V280 HydrophobicContact CE1-CG2 3.82Å; F224-V280 HydrophobicContact CZ-CG2 4.21Å |
| 225 | I | 83.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 174.2 | -69.8 | 157.2 | 0 | 0 | 0 | 110.9 | L221 E222 Q223 V227 L228 K229 F279 | L221-I225 WeakPolarHBondContact O-CD1 3.04Å; L221-I225 VanDerWaalsContact O-CG1 3.29Å; L221-I225 WeakPolarHBondContact O-CG1 3.46Å; L221-I225 PolarHBondContact O-N 3.44Å; E222-I225 PolarHBondContact O-N 3.33Å; Q223-I225 PolarHBondContact O-N 3.02Å; I225-V227 VanDerWaalsContact C-N 3.28Å; I225-V227 PolarHBondContact O-N 3.36Å; I225-L228 PolarHBondContact O-N 3.37Å; I225-K229 HydrophobicContact CG2-CD 3.76Å; I225-K229 VanDerWaalsContact CG2-CE 3.41Å; I225-K229 HydrophobicContact CG2-CG 4.1Å; I225-K229 WeakPolarHBondContact O-CB 3.41Å; I225-K229 WeakPolarHBondContact O-CG 3.24Å; I225-K229 PolarHBondContact O-N 3.42Å; I225-F279 HydrophobicContact CD1-CD1 4.48Å; I225-F279 HydrophobicContact CD1-CE1 3.31Å; I225-F279 HydrophobicContact CD1-CZ 3.71Å; I225-F279 HydrophobicContact CG1-CD1 4.22Å; I225-F279 HydrophobicContact CG1-CE1 3.44Å; I225-F279 VanDerWaalsContact CG1-CE1 3.44Å; I225-F279 HydrophobicContact CG1-CZ 4.31Å |
| 226 | S | 85.6 | Confident | 86.1 | Confident | 81 Ų | 81 | 51.5 Ų | 51.5 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.9 | -45.3 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | E222 Q223 F224 K229 A230 | E222-S226 PolarHBondContact O-N 2.91Å; E222-S226 VanDerWaalsContact O-N 3.11Å; Q223-S226 WeakPolarHBondContact O-CB 3.36Å; Q223-S226 PolarHBondContact O-N 3.33Å; F224-S226 VanDerWaalsContact C-N 3.32Å; F224-S226 PolarHBondContact O-N 2.87Å; S226-K229 PolarHBondContact O-N 2.91Å; S226-A230 PolarHBondContact O-N 3.01Å |
| 227 | V | 85.4 | Confident | 86.2 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | F201 Q223 F224 I225 K229 A230 T231 | F201-V227 HydrophobicContact CD1-CG1 4.23Å; Q223-V227 WeakPolarHBondContact O-CG2 3.32Å; Q223-V227 PolarHBondContact O-N 3.18Å; F224-V227 PolarHBondContact O-N 3.22Å; I225-V227 VanDerWaalsContact C-N 3.28Å; I225-V227 PolarHBondContact O-N 3.36Å; V227-K229 VanDerWaalsContact C-N 3.34Å; V227-K229 PolarHBondContact O-N 3.23Å; V227-A230 CarbonylContact O-C 3.51Å; V227-A230 PolarHBondContact O-N 3.4Å; V227-A230 VanDerWaalsContact O-N 3.09Å; V227-T231 WeakPolarHBondContact O-CB 3.49Å; V227-T231 PolarHBondContact O-N 3.22Å; V227-T231 PolarHBondContact O-OG1 2.96Å |
| 228 | L | 82.1 | Confident | 86.1 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 178 | -106.1 | 165.9 | 0 | 0 | 0 | 112.3 | F224 I225 A230 T231 N232 F235 V280 M289 | F224-L228 HydrophobicContact CD1-CD1 3.63Å; F224-L228 HydrophobicContact CE1-CD1 3.11Å; F224-L228 HydrophobicContact CE1-CG 4.13Å; F224-L228 HydrophobicContact CE2-CD1 4.32Å; F224-L228 HydrophobicContact CG-CD1 4.43Å; F224-L228 HydrophobicContact CZ-CD1 3.5Å; F224-L228 HydrophobicContact CZ-CG 4.09Å; F224-L228 WeakPolarHBondContact O-CB 3.32Å; F224-L228 PolarHBondContact O-N 2.66Å; I225-L228 PolarHBondContact O-N 3.37Å; L228-A230 PolarHBondContact O-N 3.14Å; L228-T231 CarbonylContact O-C 3.6Å; L228-T231 PolarHBondContact O-N 3.22Å; L228-N232 VanDerWaalsContact O-CA 3.28Å; L228-N232 WeakPolarHBondContact O-CA 3.42Å; L228-N232 WeakPolarHBondContact O-CB 3.28Å; L228-N232 PolarHBondContact O-N 3.02Å; L228-F235 HydrophobicContact CD2-CB 4Å; L228-F235 HydrophobicContact CD2-CD1 3.6Å; L228-F235 HydrophobicContact CD2-CD2 4.44Å; L228-F235 HydrophobicContact CD2-CE1 4.17Å; L228-F235 HydrophobicContact CD2-CG 3.74Å; L228-V280 HydrophobicContact CD1-CG2 4.2Å; L228-M289 HydrophobicContact CD2-CE 4.1Å |
| 229 | K | 81.4 | Confident | 86.3 | Confident | 143 Ų | 143 | 54 Ų | 54 | 62% | 0.622 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.3 | -35.6 | 177.2 | -76.1 | 176.9 | 178.4 | 171.5 | 0 | 111.8 | I225 S226 V227 | I225-K229 HydrophobicContact CG2-CD 3.76Å; I225-K229 VanDerWaalsContact CG2-CE 3.41Å; I225-K229 HydrophobicContact CG2-CG 4.1Å; I225-K229 WeakPolarHBondContact O-CB 3.41Å; I225-K229 WeakPolarHBondContact O-CG 3.24Å; I225-K229 PolarHBondContact O-N 3.42Å; S226-K229 PolarHBondContact O-N 2.91Å; V227-K229 VanDerWaalsContact C-N 3.34Å; V227-K229 PolarHBondContact O-N 3.23Å |
| 230 | A | 83.3 | Confident | 86.4 | Confident | 85 Ų | 85 | 58 Ų | 58 | 70% | 0.702 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -79.1 | -25.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S226 V227 L228 | S226-A230 PolarHBondContact O-N 3.01Å; V227-A230 CarbonylContact O-C 3.51Å; V227-A230 PolarHBondContact O-N 3.4Å; V227-A230 VanDerWaalsContact O-N 3.09Å; L228-A230 PolarHBondContact O-N 3.14Å |
| 231 | T | 81.3 | Confident | 86.4 | Confident | 47 Ų | 47 | 63.6 Ų | 63.6 | 29% | 0.288 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -132 | 23.4 | -165.4 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | V227 L228 D233 S234 F235 | V227-T231 WeakPolarHBondContact O-CB 3.49Å; V227-T231 PolarHBondContact O-N 3.22Å; V227-T231 PolarHBondContact O-OG1 2.96Å; L228-T231 CarbonylContact O-C 3.6Å; L228-T231 PolarHBondContact O-N 3.22Å; T231-D233 VanDerWaalsContact C-N 3.31Å; T231-D233 PolarHBondContact O-N 3.37Å; T231-D233 VanDerWaalsContact O-N 3.13Å; T231-S234 WeakPolarHBondContact CB-OG 3.44Å; T231-S234 PolarHBondContact O-N 3.25Å; T231-S234 PolarHBondContact O-OG 3.17Å; T231-F235 PolarHBondContact O-N 2.91Å |
| 232 | N | 77.2 | Confident | 86.6 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -50.7 | -46.3 | -169.8 | -165.4 | 19 | 0 | 0 | 0 | 113.8 | L228 S234 F235 A236 M289 | L228-N232 VanDerWaalsContact O-CA 3.28Å; L228-N232 WeakPolarHBondContact O-CA 3.42Å; L228-N232 WeakPolarHBondContact O-CB 3.28Å; L228-N232 PolarHBondContact O-N 3.02Å; N232-S234 VanDerWaalsContact C-N 3.35Å; N232-S234 PolarHBondContact O-N 3.28Å; N232-F235 PolarHBondContact O-N 3.13Å; N232-A236 WeakPolarHBondContact O-CB 3.31Å; N232-A236 PolarHBondContact O-N 3.39Å; N232-M289 PolarHBondContact OD1-SD 3.11Å; N232-M289 VanDerWaalsContact OD1-SD 3.37Å |
| 233 | D | 82.2 | Confident | 86.8 | Confident | 136 Ų | 136 | 61.5 Ų | 61.5 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.3 | -35.7 | 179.9 | -72.9 | -25.8 | 0 | 0 | 0 | 113.2 | T231 K237 | T231-D233 VanDerWaalsContact C-N 3.31Å; T231-D233 PolarHBondContact O-N 3.37Å; T231-D233 VanDerWaalsContact O-N 3.13Å; D233-K237 VanDerWaalsContact O-CB 3.29Å; D233-K237 WeakPolarHBondContact O-CB 3.37Å; D233-K237 PolarHBondContact O-N 3.29Å |
| 234 | S | 87.6 | Confident | 87 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76 | -34.2 | 178.7 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | T231 N232 K237 A238 | T231-S234 WeakPolarHBondContact CB-OG 3.44Å; T231-S234 PolarHBondContact O-N 3.25Å; T231-S234 PolarHBondContact O-OG 3.17Å; N232-S234 VanDerWaalsContact C-N 3.35Å; N232-S234 PolarHBondContact O-N 3.28Å; S234-K237 PolarHBondContact O-N 2.92Å; S234-A238 WeakPolarHBondContact O-CB 3.39Å; S234-A238 PolarHBondContact O-N 3.38Å |
| 235 | F | 88.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -51.4 | 170.3 | 179.7 | -98.7 | 0 | 0 | 0 | 111.1 | L198 F201 F224 L228 T231 N232 K237 A238 V239 V280 C293 | L198-F235 HydrophobicContact CD2-CE2 4.17Å; F201-F235 HydrophobicContact CB-CD2 4.29Å; F201-F235 HydrophobicContact CD1-CB 4.16Å; F201-F235 HydrophobicContact CD1-CD2 4.09Å; F201-F235 AromaticContact CD2-CD2 3.81Å; F201-F235 HydrophobicContact CD2-CD2 3.81Å; F201-F235 HydrophobicContact CD2-CE2 4.49Å; F201-F235 HydrophobicContact CE1-CB 3.83Å; F201-F235 HydrophobicContact CE1-CD2 4.39Å; F201-F235 HydrophobicContact CE2-CD2 4.15Å; F201-F235 AromaticContact CG-CD2 3.79Å; F201-F235 HydrophobicContact CG-CD2 3.79Å; F201-F235 VanDerWaalsContact CZ-CA 3.46Å; F201-F235 HydrophobicContact CZ-CB 4.08Å; F201-F235 HydrophobicContact CZ-CD2 4.43Å; F224-F235 HydrophobicContact CE2-CE2 4.36Å; F224-F235 AromaticContact CZ-CE2 3.96Å; F224-F235 HydrophobicContact CZ-CE2 3.96Å; F224-F235 HydrophobicContact CZ-CZ 4.21Å; L228-F235 HydrophobicContact CD2-CB 4Å; L228-F235 HydrophobicContact CD2-CD1 3.6Å; L228-F235 HydrophobicContact CD2-CD2 4.44Å; L228-F235 HydrophobicContact CD2-CE1 4.17Å; L228-F235 HydrophobicContact CD2-CG 3.74Å; T231-F235 PolarHBondContact O-N 2.91Å; N232-F235 PolarHBondContact O-N 3.13Å; F235-K237 PolarHBondContact O-N 2.88Å; F235-A238 WeakPolarHBondContact O-CB 3.44Å; F235-A238 PolarHBondContact O-N 3.12Å; F235-V239 HydrophobicContact CD1-CG2 4.24Å; F235-V239 HydrophobicContact CE1-CG2 3.79Å; F235-V239 HydrophobicContact CE2-CG2 4.23Å; F235-V239 HydrophobicContact CZ-CG2 3.78Å; F235-V239 WeakPolarHBondContact O-CG2 3.4Å; F235-V239 PolarHBondContact O-N 3.42Å; F235-V280 HydrophobicContact CE1-CG1 4.36Å; F235-V280 HydrophobicContact CE1-CG2 4.26Å; F235-V280 HydrophobicContact CZ-CG2 4.16Å; F235-C293 HydrophobicContact CE1-CB 4.44Å |
| 236 | A | 86.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N232 R240 D290 | N232-A236 WeakPolarHBondContact O-CB 3.31Å; N232-A236 PolarHBondContact O-N 3.39Å; A236-R240 WeakPolarHBondContact O-CB 3.4Å; A236-R240 WeakPolarHBondContact O-CG 3.32Å; A236-R240 PolarHBondContact O-N 2.85Å; A236-R240 PolarHBondContact O-NE 3.33Å; A236-D290 HydrophobicContact CB-CB 3.88Å |
| 237 | K | 89.5 | Confident | 88.3 | Confident | 127 Ų | 127 | 61.9 Ų | 61.9 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.7 | -43 | 173.6 | -171 | 176.5 | -178.1 | 178.5 | 0 | 112.4 | D233 S234 F235 V239 R240 N241 | D233-K237 VanDerWaalsContact O-CB 3.29Å; D233-K237 WeakPolarHBondContact O-CB 3.37Å; D233-K237 PolarHBondContact O-N 3.29Å; S234-K237 PolarHBondContact O-N 2.92Å; F235-K237 PolarHBondContact O-N 2.88Å; K237-V239 VanDerWaalsContact C-N 3.33Å; K237-V239 PolarHBondContact O-N 3.29Å; K237-R240 PolarHBondContact O-N 2.95Å; K237-N241 WeakPolarHBondContact O-CB 3.37Å; K237-N241 PolarHBondContact O-N 3.44Å; K237-N241 PolarHBondContact O-OD1 2.84Å |
| 238 | A | 91.2 | Very high | 88.7 | Confident | 18 Ų | 18 | 62 Ų | 62 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F201 S234 F235 N242 | F201-A238 HydrophobicContact CE2-CB 3.65Å; F201-A238 HydrophobicContact CZ-CB 4.09Å; S234-A238 WeakPolarHBondContact O-CB 3.39Å; S234-A238 PolarHBondContact O-N 3.38Å; F235-A238 WeakPolarHBondContact O-CB 3.44Å; F235-A238 PolarHBondContact O-N 3.12Å; A238-N242 PolarHBondContact O-N 2.67Å; A238-N242 PolarHBondContact O-ND2 3.31Å |
| 239 | V | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | F235 K237 N241 N242 F243 L246 I296 | F235-V239 HydrophobicContact CD1-CG2 4.24Å; F235-V239 HydrophobicContact CE1-CG2 3.79Å; F235-V239 HydrophobicContact CE2-CG2 4.23Å; F235-V239 HydrophobicContact CZ-CG2 3.78Å; F235-V239 WeakPolarHBondContact O-CG2 3.4Å; F235-V239 PolarHBondContact O-N 3.42Å; K237-V239 VanDerWaalsContact C-N 3.33Å; K237-V239 PolarHBondContact O-N 3.29Å; V239-N241 VanDerWaalsContact C-N 3.33Å; V239-N241 PolarHBondContact O-N 2.93Å; V239-N242 CarbonylContact O-C 3.55Å; V239-N242 PolarHBondContact O-N 3.18Å; V239-F243 WeakPolarHBondContact O-CA 3.37Å; V239-F243 PolarHBondContact O-N 3.29Å; V239-L246 HydrophobicContact CG1-CD1 4.47Å; V239-I296 HydrophobicContact CG1-CG1 3.81Å |
| 240 | R | 90.9 | Very high | 90 | Very high | 125 Ų | 125 | 54.8 Ų | 54.8 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58 | -43 | 178 | -79.3 | -175.6 | -68.6 | -149.9 | 4.2 | 113.1 | A236 K237 N242 F243 D290 T292 | A236-R240 WeakPolarHBondContact O-CB 3.4Å; A236-R240 WeakPolarHBondContact O-CG 3.32Å; A236-R240 PolarHBondContact O-N 2.85Å; A236-R240 PolarHBondContact O-NE 3.33Å; K237-R240 PolarHBondContact O-N 2.95Å; R240-N242 PolarHBondContact O-N 3.45Å; R240-F243 PolarHBondContact O-N 3.34Å; R240-D290 IonicContact CZ-OD2 3.46Å; R240-D290 IonicContact NE-OD2 2.65Å; R240-D290 IonicContact NH1-OD2 3.14Å; R240-D290 PolarHBondContact NH1-OD2 3.36Å; R240-T292 HydrophobicContact CG-CG2 3.93Å; R240-T292 VanDerWaalsContact CG-OG1 3.24Å; R240-T292 WeakPolarHBondContact CG-OG1 3.42Å |
| 241 | N | 93.1 | Very high | 90.6 | Very high | 119 Ų | 119 | 52.7 Ų | 52.7 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.8 | -23.9 | 179.3 | -71.3 | -6.5 | 0 | 0 | 0 | 113.1 | K237 V239 | K237-N241 WeakPolarHBondContact O-CB 3.37Å; K237-N241 PolarHBondContact O-N 3.44Å; K237-N241 PolarHBondContact O-OD1 2.84Å; V239-N241 VanDerWaalsContact C-N 3.33Å; V239-N241 PolarHBondContact O-N 2.93Å |
| 242 | N | 93.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 14.2 | -176.5 | -66.2 | -74.3 | 0 | 0 | 0 | 112.9 | K197 A238 V239 R240 D244 Q245 L246 | K197-N242 HydrophobicContact CD-CB 3.97Å; A238-N242 PolarHBondContact O-N 2.67Å; A238-N242 PolarHBondContact O-ND2 3.31Å; V239-N242 CarbonylContact O-C 3.55Å; V239-N242 PolarHBondContact O-N 3.18Å; R240-N242 PolarHBondContact O-N 3.45Å; N242-D244 PolarHBondContact O-N 2.96Å; N242-Q245 PolarHBondContact O-N 3.36Å; N242-L246 HydrophobicContact CB-CD1 3.89Å; N242-L246 HydrophobicContact CB-CG 4.06Å; N242-L246 WeakPolarHBondContact O-CB 3.33Å; N242-L246 WeakPolarHBondContact O-CG 3.34Å; N242-L246 PolarHBondContact O-N 2.71Å |
| 243 | F | 93.4 | Very high | 92.1 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 24% | 0.237 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -49.4 | -165.8 | -178.7 | -101 | 0 | 0 | 0 | 113.1 | V239 R240 Q245 L246 T247 T292 D295 I296 | V239-F243 WeakPolarHBondContact O-CA 3.37Å; V239-F243 PolarHBondContact O-N 3.29Å; R240-F243 PolarHBondContact O-N 3.34Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 2.99Å; F243-L246 PolarHBondContact O-N 3.49Å; F243-T247 VanDerWaalsContact O-CB 3.29Å; F243-T247 WeakPolarHBondContact O-CB 3.27Å; F243-T247 PolarHBondContact O-N 3.48Å; F243-T247 PolarHBondContact O-OG1 2.79Å; F243-T292 HydrophobicContact CD2-CG2 4.21Å; F243-T292 HydrophobicContact CE2-CG2 4.27Å; F243-D295 HydrophobicContact CE2-CB 3.99Å; F243-D295 HydrophobicContact CZ-CB 4.17Å; F243-I296 HydrophobicContact CD2-CD1 4.15Å; F243-I296 HydrophobicContact CD2-CG1 4.14Å; F243-I296 HydrophobicContact CE2-CD1 4.2Å; F243-I296 HydrophobicContact CE2-CG1 4.21Å |
| 244 | D | 91.9 | Very high | 92.5 | Very high | 134 Ų | 134 | 41.3 Ų | 41.3 | 72% | 0.717 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.8 | -41 | -178.9 | -63.5 | -33.3 | 0 | 0 | 0 | 111.9 | N242 L248 | N242-D244 PolarHBondContact O-N 2.96Å; D244-L248 WeakPolarHBondContact O-CB 3.49Å; D244-L248 PolarHBondContact O-N 3.32Å; D244-L248 VanDerWaalsContact O-N 3.15Å |
| 245 | Q | 92.7 | Very high | 92.8 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 24% | 0.243 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.6 | -47.3 | 178.9 | -65.6 | -173 | 3.4 | 0 | 0 | 111.2 | N242 F243 T247 L248 E249 | N242-Q245 PolarHBondContact O-N 3.36Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 2.99Å; Q245-T247 VanDerWaalsContact C-N 3.34Å; Q245-T247 PolarHBondContact O-N 3.33Å; Q245-L248 PolarHBondContact O-N 2.95Å; Q245-E249 WeakPolarHBondContact O-CB 3.47Å; Q245-E249 WeakPolarHBondContact O-CG 3.27Å; Q245-E249 PolarHBondContact O-N 3.14Å |
| 246 | L | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 179 | -73.2 | 170.7 | 0 | 0 | 0 | 111.7 | I194 K197 V239 N242 F243 L248 E249 L250 I296 | I194-L246 HydrophobicContact CG1-CD2 4.28Å; I194-L246 HydrophobicContact CG2-CD2 4.07Å; K197-L246 HydrophobicContact CD-CD2 4.2Å; K197-L246 HydrophobicContact CD-CG 4.41Å; V239-L246 HydrophobicContact CG1-CD1 4.47Å; N242-L246 HydrophobicContact CB-CD1 3.89Å; N242-L246 HydrophobicContact CB-CG 4.06Å; N242-L246 WeakPolarHBondContact O-CB 3.33Å; N242-L246 WeakPolarHBondContact O-CG 3.34Å; N242-L246 PolarHBondContact O-N 2.71Å; F243-L246 PolarHBondContact O-N 3.49Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.4Å; L246-E249 PolarHBondContact O-N 2.67Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 3.47Å; L246-I296 HydrophobicContact CB-CD1 3.68Å |
| 247 | T | 95.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 26% | 0.264 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59 | -47.3 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 110.8 | F243 Q245 S251 L299 | F243-T247 VanDerWaalsContact O-CB 3.29Å; F243-T247 WeakPolarHBondContact O-CB 3.27Å; F243-T247 PolarHBondContact O-N 3.48Å; F243-T247 PolarHBondContact O-OG1 2.79Å; Q245-T247 VanDerWaalsContact C-N 3.34Å; Q245-T247 PolarHBondContact O-N 3.33Å; T247-S251 VanDerWaalsContact O-CB 3.24Å; T247-S251 WeakPolarHBondContact O-CB 3.41Å; T247-S251 PolarHBondContact O-N 3.42Å; T247-L299 HydrophobicContact CG2-CD1 3.91Å |
| 248 | L | 94.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | -179.6 | -158.3 | 86.3 | 0 | 0 | 0 | 111.7 | P145 I148 K149 D244 Q245 L246 S251 C252 | P145-L248 HydrophobicContact CB-CD2 4.1Å; P145-L248 WeakPolarHBondContact O-CD2 3.33Å; I148-L248 HydrophobicContact CB-CD2 3.61Å; I148-L248 HydrophobicContact CB-CG 4.23Å; I148-L248 HydrophobicContact CD1-CD2 4.16Å; I148-L248 HydrophobicContact CG1-CD2 4.42Å; I148-L248 HydrophobicContact CG2-CD2 3.68Å; I148-L248 HydrophobicContact CG2-CG 3.71Å; K149-L248 HydrophobicContact CG-CD1 4.03Å; D244-L248 WeakPolarHBondContact O-CB 3.49Å; D244-L248 PolarHBondContact O-N 3.32Å; D244-L248 VanDerWaalsContact O-N 3.15Å; Q245-L248 PolarHBondContact O-N 2.95Å; L246-L248 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.4Å; L248-S251 PolarHBondContact O-N 3.46Å; L248-C252 WeakPolarHBondContact O-CB 3.37Å; L248-C252 PolarHBondContact O-N 3.33Å |
| 249 | E | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 179 | -74.2 | 168.2 | 179.3 | 0 | 0 | 111.7 | I148 I190 I194 K197 Q245 L246 C252 L253 | I148-E249 HydrophobicContact CD1-CG 3.66Å; I190-E249 HydrophobicContact CG2-CB 3.85Å; I190-E249 HydrophobicContact CG2-CG 4.2Å; I194-E249 HydrophobicContact CD1-CB 4.04Å; I194-E249 HydrophobicContact CG1-CB 4.02Å; I194-E249 VanDerWaalsContact CG1-OE2 3.31Å; I194-E249 WeakPolarHBondContact CG1-OE2 3.42Å; K197-E249 IonicContact NZ-OE1 2.71Å; K197-E249 PolarHBondContact NZ-OE1 3.49Å; K197-E249 IonicContact NZ-OE2 3.92Å; K197-E249 PolarHBondContact NZ-OE2 3.39Å; Q245-E249 WeakPolarHBondContact O-CB 3.47Å; Q245-E249 WeakPolarHBondContact O-CG 3.27Å; Q245-E249 PolarHBondContact O-N 3.14Å; L246-E249 PolarHBondContact O-N 2.67Å; E249-C252 WeakPolarHBondContact O-CB 3.35Å; E249-C252 PolarHBondContact O-N 3.45Å; E249-L253 WeakPolarHBondContact O-CG 3.42Å; E249-L253 PolarHBondContact O-N 3.25Å |
| 250 | L | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | 176.3 | -76.2 | 166.1 | 0 | 0 | 0 | 112.5 | I194 L246 C252 L253 G254 L277 I296 L299 A300 C303 | I194-L250 HydrophobicContact CD1-CD2 4.23Å; I194-L250 HydrophobicContact CD1-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 3.47Å; L250-C252 PolarHBondContact O-N 2.91Å; L250-L253 HydrophobicContact CD2-CD1 4.24Å; L250-L253 WeakPolarHBondContact O-CB 3.49Å; L250-L253 PolarHBondContact O-N 3.07Å; L250-L253 VanDerWaalsContact O-N 3.13Å; L250-G254 PolarHBondContact O-N 3.16Å; L250-L277 HydrophobicContact CD1-CD1 4.29Å; L250-L277 HydrophobicContact CD2-CD1 4.04Å; L250-I296 HydrophobicContact CD1-CB 4.49Å; L250-I296 HydrophobicContact CD1-CD1 4.29Å; L250-I296 HydrophobicContact CD1-CG2 3.65Å; L250-L299 HydrophobicContact CB-CB 3.98Å; L250-L299 HydrophobicContact CB-CD1 4.42Å; L250-L299 HydrophobicContact CD1-CB 4.2Å; L250-A300 HydrophobicContact CD2-CB 4.34Å; L250-C303 PolarHBondContact O-SG 2.82Å; L250-C303 VanDerWaalsContact O-SG 3.39Å |
| 251 | S | 94 | Very high | 92.7 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.5 | -35.9 | 174.7 | -167.6 | 0 | 0 | 0 | 0 | 112 | K152 T247 L248 T255 | K152-S251 PolarHBondContact NZ-OG 2.74Å; T247-S251 VanDerWaalsContact O-CB 3.24Å; T247-S251 WeakPolarHBondContact O-CB 3.41Å; T247-S251 PolarHBondContact O-N 3.42Å; L248-S251 PolarHBondContact O-N 3.46Å; S251-T255 PolarHBondContact O-OG1 2.84Å |
| 252 | C | 95 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -41.3 | 172.8 | -168.9 | 0 | 0 | 0 | 0 | 111.8 | I148 I190 L248 E249 L250 G254 T255 L256 | I148-C252 HydrophobicContact CG2-CB 3.54Å; I190-C252 HydrophobicContact CD1-CB 4.01Å; I190-C252 VanDerWaalsContact CD1-SG 3.59Å; L248-C252 WeakPolarHBondContact O-CB 3.37Å; L248-C252 PolarHBondContact O-N 3.33Å; E249-C252 WeakPolarHBondContact O-CB 3.35Å; E249-C252 PolarHBondContact O-N 3.45Å; L250-C252 PolarHBondContact O-N 2.91Å; C252-G254 VanDerWaalsContact C-N 3.31Å; C252-G254 PolarHBondContact O-N 2.95Å; C252-T255 WeakPolarHBondContact O-CB 3.48Å; C252-T255 PolarHBondContact O-N 2.89Å; C252-L256 PolarHBondContact O-N 3.39Å |
| 253 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | 175.5 | -78.7 | 178.5 | 0 | 0 | 0 | 112.2 | Y187 I190 I191 I194 E249 L250 T255 L256 V257 I274 | Y187-L253 HydrophobicContact CD2-CD2 3.58Å; Y187-L253 HydrophobicContact CE2-CD2 3.87Å; I190-L253 HydrophobicContact CB-CD2 4.1Å; I190-L253 HydrophobicContact CB-CG 4.45Å; I190-L253 HydrophobicContact CG2-CD1 4.07Å; I190-L253 HydrophobicContact CG2-CD2 3.87Å; I190-L253 HydrophobicContact CG2-CG 3.67Å; I191-L253 HydrophobicContact CD1-CD1 3.78Å; I191-L253 HydrophobicContact CD1-CD2 3.97Å; I191-L253 HydrophobicContact CG1-CD2 4.16Å; I194-L253 HydrophobicContact CD1-CD1 3.45Å; I194-L253 VanDerWaalsContact CD1-CD1 3.45Å; I194-L253 HydrophobicContact CD1-CG 4.5Å; E249-L253 WeakPolarHBondContact O-CG 3.42Å; E249-L253 PolarHBondContact O-N 3.25Å; L250-L253 HydrophobicContact CD2-CD1 4.24Å; L250-L253 WeakPolarHBondContact O-CB 3.49Å; L250-L253 PolarHBondContact O-N 3.07Å; L250-L253 VanDerWaalsContact O-N 3.13Å; L253-T255 PolarHBondContact O-N 3.41Å; L253-L256 HydrophobicContact CD2-CD1 4.33Å; L253-L256 PolarHBondContact O-N 3.3Å; L253-V257 VanDerWaalsContact O-CB 3.29Å; L253-V257 WeakPolarHBondContact O-CB 3.39Å; L253-V257 WeakPolarHBondContact O-CG2 3.49Å; L253-V257 PolarHBondContact O-N 2.94Å; L253-I274 HydrophobicContact CD1-CD1 4.5Å |
| 254 | G | 92.3 | Very high | 91 | Very high | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.2 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L250 C252 V257 R258 C303 Q306 | L250-G254 PolarHBondContact O-N 3.16Å; C252-G254 VanDerWaalsContact C-N 3.31Å; C252-G254 PolarHBondContact O-N 2.95Å; G254-V257 PolarHBondContact O-N 3.41Å; G254-R258 PolarHBondContact O-N 3.08Å; G254-C303 PolarHBondContact N-SG 3.12Å; G254-C303 VanDerWaalsContact N-SG 3.38Å; G254-Q306 PolarHBondContact O-OE1 3.23Å |
| 255 | T | 92.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 177.6 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | K152 I155 E156 S251 C252 L253 R258 | K152-T255 WeakPolarHBondContact CE-OG1 3.47Å; K152-T255 HydrophobicContact CG-CG2 4.19Å; I155-T255 HydrophobicContact CB-CG2 4.08Å; I155-T255 HydrophobicContact CG2-CG2 3.85Å; E156-T255 HydrophobicContact CG-CG2 4.29Å; S251-T255 PolarHBondContact O-OG1 2.84Å; C252-T255 WeakPolarHBondContact O-CB 3.48Å; C252-T255 PolarHBondContact O-N 2.89Å; L253-T255 PolarHBondContact O-N 3.41Å; T255-R258 PolarHBondContact O-N 3.26Å |
| 256 | L | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 178.2 | -74.5 | 163.6 | 0 | 0 | 0 | 112.7 | I155 T183 F186 I190 C252 L253 R258 T259 V260 | I155-L256 HydrophobicContact CD1-CD2 3.38Å; I155-L256 HydrophobicContact CD1-CG 3.91Å; T183-L256 HydrophobicContact CG2-CD2 4.2Å; F186-L256 HydrophobicContact CB-CD1 4.32Å; F186-L256 HydrophobicContact CB-CD2 4.07Å; I190-L256 HydrophobicContact CD1-CD1 3.6Å; C252-L256 PolarHBondContact O-N 3.39Å; L253-L256 HydrophobicContact CD2-CD1 4.33Å; L253-L256 PolarHBondContact O-N 3.3Å; L256-R258 PolarHBondContact O-N 3.4Å; L256-T259 PolarHBondContact O-N 3.28Å; L256-T259 PolarHBondContact O-OG1 2.94Å; L256-T259 VanDerWaalsContact O-OG1 3.11Å; L256-V260 HydrophobicContact CB-CG2 4.29Å; L256-V260 HydrophobicContact CD2-CG2 4.47Å; L256-V260 WeakPolarHBondContact O-CB 3.39Å; L256-V260 WeakPolarHBondContact O-CG2 3.46Å; L256-V260 PolarHBondContact O-N 3.34Å |
| 257 | V | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64 | -23.8 | -179.9 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | Y187 L253 G254 L265 I274 L307 R310 | Y187-V257 HydrophobicContact CD2-CG2 4.39Å; Y187-V257 HydrophobicContact CE2-CG2 3.89Å; L253-V257 VanDerWaalsContact O-CB 3.29Å; L253-V257 WeakPolarHBondContact O-CB 3.39Å; L253-V257 WeakPolarHBondContact O-CG2 3.49Å; L253-V257 PolarHBondContact O-N 2.94Å; G254-V257 PolarHBondContact O-N 3.41Å; V257-L265 HydrophobicContact CG1-CD1 4.39Å; V257-L265 HydrophobicContact CG2-CD2 4.16Å; V257-I274 HydrophobicContact CG2-CD1 4.11Å; V257-L307 HydrophobicContact CG1-CB 3.52Å; V257-L307 HydrophobicContact CG1-CD1 3.79Å; V257-L307 HydrophobicContact CG1-CG 3.94Å; V257-R310 VanDerWaalsContact O-CD 3.27Å; V257-R310 WeakPolarHBondContact O-CD 3.5Å; V257-R310 PolarHBondContact O-NH1 3.1Å |
| 258 | R | 88.3 | Confident | 89.1 | Confident | 78 Ų | 78 | 28.2 Ų | 28.2 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -73.8 | -22.6 | 170.7 | -70.4 | -171.9 | -67.6 | 140.2 | 8.9 | 114 | E160 G254 T255 L256 Q306 R310 | E160-R258 IonicContact OE1-CZ 3.29Å; E160-R258 IonicContact OE1-NE 3.65Å; E160-R258 IonicContact OE1-NH1 2.98Å; E160-R258 PolarHBondContact OE1-NH1 2.95Å; E160-R258 IonicContact OE1-NH2 2.96Å; E160-R258 PolarHBondContact OE1-NH2 3.15Å; E160-R258 IonicContact OE2-CZ 3.22Å; E160-R258 IonicContact OE2-NH1 2.69Å; E160-R258 PolarHBondContact OE2-NH1 2.96Å; E160-R258 IonicContact OE2-NH2 2.77Å; E160-R258 PolarHBondContact OE2-NH2 2.86Å; G254-R258 PolarHBondContact O-N 3.08Å; T255-R258 PolarHBondContact O-N 3.26Å; L256-R258 PolarHBondContact O-N 3.4Å; R258-Q306 HydrophobicContact CG-CB 3.85Å; R258-Q306 HydrophobicContact CG-CG 4.34Å; R258-R310 VanDerWaalsContact C-CZ 3.49Å; R258-R310 VanDerWaalsContact C-NH1 3.28Å; R258-R310 PolarHBondContact O-NE 3.49Å; R258-R310 VanDerWaalsContact O-NE 3.15Å; R258-R310 PolarHBondContact O-NH1 3.4Å; R258-R310 PolarHBondContact O-NH2 3.47Å |
| 259 | T | 88.5 | Confident | 88.8 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -111.2 | -42.1 | -171 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | I155 V159 L256 R310 | I155-T259 HydrophobicContact CG2-CG2 3.42Å; I155-T259 VanDerWaalsContact CG2-CG2 3.42Å; V159-T259 HydrophobicContact CB-CG2 4.09Å; V159-T259 HydrophobicContact CG1-CG2 3.77Å; V159-T259 HydrophobicContact CG2-CG2 4.2Å; L256-T259 PolarHBondContact O-N 3.28Å; L256-T259 PolarHBondContact O-OG1 2.94Å; L256-T259 VanDerWaalsContact O-OG1 3.11Å; T259-R310 PolarHBondContact O-NH2 3.26Å |
| 260 | V | 88.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -56.1 | 145.9 | -175.5 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | T183 Y187 L256 A262 L265 R310 | T183-V260 WeakPolarHBondContact OG1-CG2 3.42Å; Y187-V260 HydrophobicContact CG-CG2 4.37Å; L256-V260 HydrophobicContact CB-CG2 4.29Å; L256-V260 HydrophobicContact CD2-CG2 4.47Å; L256-V260 WeakPolarHBondContact O-CB 3.39Å; L256-V260 WeakPolarHBondContact O-CG2 3.46Å; L256-V260 PolarHBondContact O-N 3.34Å; V260-A262 PolarHBondContact O-N 2.87Å; V260-L265 HydrophobicContact CB-CD2 3.96Å; V260-L265 HydrophobicContact CB-CG 4.35Å; V260-L265 HydrophobicContact CG1-CD2 3.8Å; V260-L265 HydrophobicContact CG1-CG 4.01Å; V260-R310 VanDerWaalsContact O-CZ 3.24Å; V260-R310 PolarHBondContact O-NH1 3.05Å; V260-R310 PolarHBondContact O-NH2 2.84Å |
| 261 | E | 85.1 | Confident | 88.2 | Confident | 115 Ų | 115 | 28.1 Ų | 28.1 | 54% | 0.537 | 16% | 0.157 | S | C | . | . | trans | -61.9 | 138.3 | 177.1 | -66.4 | -174.3 | 168.1 | 0 | 0 | 112.1 | D263 S264 L265 | E261-D263 PolarHBondContact O-N 3.43Å; E261-D263 VanDerWaalsContact O-N 3.17Å; E261-S264 WeakPolarHBondContact O-CB 3.47Å; E261-S264 PolarHBondContact O-N 3.45Å; E261-L265 PolarHBondContact O-N 3.05Å | ||
| 262 | A | 81.6 | Confident | 88.2 | Confident | 17 Ų | 17 | 26.2 Ų | 26.2 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -34.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | V260 S264 L265 V266 W312 | V260-A262 PolarHBondContact O-N 2.87Å; A262-S264 VanDerWaalsContact C-N 3.34Å; A262-S264 PolarHBondContact O-N 3.23Å; A262-L265 WeakPolarHBondContact O-CB 3.5Å; A262-L265 PolarHBondContact O-N 2.94Å; A262-V266 PolarHBondContact O-N 3.3Å; A262-W312 HydrophobicContact CB-CD2 4.25Å; A262-W312 HydrophobicContact CB-CE3 4.23Å; A262-W312 HydrophobicContact CB-CZ3 4.42Å |
| 263 | D | 81.4 | Confident | 88.1 | Confident | 84 Ų | 84 | 26.1 Ų | 26.1 | 45% | 0.449 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.3 | -35.1 | 177.3 | -73.8 | -22.2 | 0 | 0 | 0 | 112.5 | E261 L265 G267 S316 | E261-D263 PolarHBondContact O-N 3.43Å; E261-D263 VanDerWaalsContact O-N 3.17Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-G267 PolarHBondContact O-N 2.92Å; D263-S316 PolarHBondContact OD1-OG 3.32Å |
| 264 | S | 82.8 | Confident | 88.1 | Confident | 45 Ų | 45 | 26.2 Ų | 26.2 | 32% | 0.315 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -71 | -29.8 | 174.8 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | E261 A262 G267 | E261-S264 WeakPolarHBondContact O-CB 3.47Å; E261-S264 PolarHBondContact O-N 3.45Å; A262-S264 VanDerWaalsContact C-N 3.34Å; A262-S264 PolarHBondContact O-N 3.23Å; S264-G267 PolarHBondContact O-N 3.46Å |
| 265 | L | 86 | Confident | 88.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 177 | -66.6 | 175.7 | 0 | 0 | 0 | 111.4 | Y187 V257 V260 E261 A262 D263 G267 L271 L307 W312 | Y187-L265 HydrophobicContact CD1-CD2 4.29Å; Y187-L265 HydrophobicContact CD2-CD2 4.06Å; Y187-L265 HydrophobicContact CE1-CD2 3.88Å; Y187-L265 HydrophobicContact CE2-CD2 3.65Å; Y187-L265 HydrophobicContact CG-CD2 4.36Å; V257-L265 HydrophobicContact CG1-CD1 4.39Å; V257-L265 HydrophobicContact CG2-CD2 4.16Å; V260-L265 HydrophobicContact CB-CD2 3.96Å; V260-L265 HydrophobicContact CB-CG 4.35Å; V260-L265 HydrophobicContact CG1-CD2 3.8Å; V260-L265 HydrophobicContact CG1-CG 4.01Å; E261-L265 PolarHBondContact O-N 3.05Å; A262-L265 WeakPolarHBondContact O-CB 3.5Å; A262-L265 PolarHBondContact O-N 2.94Å; D263-L265 VanDerWaalsContact C-N 3.34Å; L265-G267 VanDerWaalsContact C-N 3.34Å; L265-L271 HydrophobicContact CB-CD1 4.3Å; L265-L271 HydrophobicContact CB-CG 4.43Å; L265-L271 WeakPolarHBondContact O-CG 3.47Å; L265-L307 HydrophobicContact CD1-CD1 4.32Å; L265-W312 HydrophobicContact CD1-CZ2 4.29Å |
| 266 | V | 83.2 | Confident | 88.2 | Confident | 25 Ų | 25 | 26 Ų | 26 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -78.7 | -22.7 | -179.7 | -166.3 | 0 | 0 | 0 | 0 | 112 | A262 L271 W312 K319 | A262-V266 PolarHBondContact O-N 3.3Å; V266-L271 HydrophobicContact CG2-CD1 4.31Å; V266-W312 HydrophobicContact CG2-CH2 3.69Å; V266-W312 HydrophobicContact CG2-CZ3 3.41Å; V266-W312 VanDerWaalsContact CG2-CZ3 3.41Å; V266-K319 HydrophobicContact CG1-CB 3.63Å; V266-K319 WeakPolarHBondContact CG1-O 3.46Å |
| 267 | G | 81.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 26.1 Ų | 26.1 | 27% | 0.268 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -53.5 | 141.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D263 S264 L265 H269 S270 | D263-G267 PolarHBondContact O-N 2.92Å; S264-G267 PolarHBondContact O-N 3.46Å; L265-G267 VanDerWaalsContact C-N 3.34Å; G267-H269 PolarHBondContact O-N 3.27Å; G267-S270 PolarHBondContact O-N 3.36Å; G267-S270 VanDerWaalsContact O-N 3.13Å; G267-S270 PolarHBondContact O-OG 3.4Å |
| 268 | D | 83.2 | Confident | 88.1 | Confident | 99 Ų | 99 | 26.1 Ų | 26.1 | 53% | 0.529 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | 53.9 | 27.6 | 174.5 | -53 | -22.3 | 0 | 0 | 0 | 114.2 | P207 V208 S270 | P207-D268 HydrophobicContact CB-CB 3.64Å; V208-D268 PolarHBondContact N-O 2.94Å; D268-S270 PolarHBondContact O-N 3.5Å; D268-S270 VanDerWaalsContact O-N 3.07Å |
| 269 | H | 87.5 | Confident | 88.1 | Confident | 40 Ų | 40 | 22.6 Ų | 22.6 | 19% | 0.185 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | 53 | 27.3 | -177.3 | -58.3 | -78.2 | 0 | 0 | 0 | 114.2 | Y206 V208 F215 G267 L271 H272 E321 | Y206-H269 WeakPolarHBondContact CD1-O 3.43Å; Y206-H269 HydrophobicContact CE1-CB 4.27Å; V208-H269 HydrophobicContact CB-CB 4.49Å; V208-H269 HydrophobicContact CG2-CB 4.02Å; F215-H269 HydrophobicContact CE1-CB 4.09Å; F215-H269 AromaticContact CE1-CG 3.97Å; G267-H269 PolarHBondContact O-N 3.27Å; H269-L271 PolarHBondContact O-N 3.33Å; H269-L271 VanDerWaalsContact O-N 3.14Å; H269-H272 AromaticContact ND1-CE1 3.73Å; H269-H272 AromaticContact ND1-NE2 3.64Å; H269-H272 VanDerWaalsContact O-CB 3.29Å; H269-H272 WeakPolarHBondContact O-CB 3.43Å; H269-H272 PolarHBondContact O-N 2.97Å; H269-E321 IonicContact ND1-OE2 3.88Å |
| 270 | S | 88.5 | Confident | 88 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33 | -172.6 | -56.4 | 0 | 0 | 0 | 0 | 113 | G267 D268 H272 I273 | G267-S270 PolarHBondContact O-N 3.36Å; G267-S270 VanDerWaalsContact O-N 3.13Å; G267-S270 PolarHBondContact O-OG 3.4Å; D268-S270 PolarHBondContact O-N 3.5Å; D268-S270 VanDerWaalsContact O-N 3.07Å; S270-H272 PolarHBondContact O-N 3.4Å; S270-I273 WeakPolarHBondContact O-CG2 3.38Å |
| 271 | L | 91.9 | Very high | 87.5 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.2 | 177.8 | -73.8 | 171.8 | 0 | 0 | 0 | 114.4 | Y187 L265 V266 H269 I273 I274 Y275 L307 W312 | Y187-L271 WeakPolarHBondContact OH-CD2 3.47Å; L265-L271 HydrophobicContact CB-CD1 4.3Å; L265-L271 HydrophobicContact CB-CG 4.43Å; L265-L271 WeakPolarHBondContact O-CG 3.47Å; V266-L271 HydrophobicContact CG2-CD1 4.31Å; H269-L271 PolarHBondContact O-N 3.33Å; H269-L271 VanDerWaalsContact O-N 3.14Å; L271-I273 PolarHBondContact O-N 3.46Å; L271-I274 HydrophobicContact CD2-CD1 4.07Å; L271-I274 PolarHBondContact O-N 2.97Å; L271-Y275 HydrophobicContact CB-CD2 4.24Å; L271-Y275 HydrophobicContact CB-CE2 3.8Å; L271-Y275 WeakPolarHBondContact O-CD2 3.46Å; L271-Y275 PolarHBondContact O-N 2.9Å; L271-L307 HydrophobicContact CD1-CD1 3.93Å; L271-L307 HydrophobicContact CD2-CD1 3.39Å; L271-L307 HydrophobicContact CG-CD1 4.32Å; L271-W312 HydrophobicContact CD1-CH2 4.36Å |
| 272 | H | 93.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.9 | -36.3 | -179.1 | -77.1 | -160.1 | 0 | 0 | 0 | 112.2 | Y206 F215 I217 H269 S270 I274 Y275 V276 E321 | Y206-H272 HydrophobicContact CD1-CB 4.16Å; Y206-H272 HydrophobicContact CE1-CB 3.37Å; Y206-H272 AromaticContact CE1-CG 3.89Å; Y206-H272 AromaticContact CE1-ND1 3.83Å; F215-H272 AromaticContact CE1-CE1 3.57Å; F215-H272 AromaticContact CE1-ND1 3.47Å; F215-H272 WeakPolarHBondContact CE1-ND1 3.35Å; F215-H272 AromaticContact CZ-ND1 3.81Å; I217-H272 HydrophobicContact CD1-CB 4.19Å; H269-H272 AromaticContact ND1-CE1 3.73Å; H269-H272 AromaticContact ND1-NE2 3.64Å; H269-H272 VanDerWaalsContact O-CB 3.29Å; H269-H272 WeakPolarHBondContact O-CB 3.43Å; H269-H272 PolarHBondContact O-N 2.97Å; S270-H272 PolarHBondContact O-N 3.4Å; H272-I274 VanDerWaalsContact C-N 3.29Å; H272-I274 PolarHBondContact O-N 2.93Å; H272-Y275 PolarHBondContact O-N 3.26Å; H272-V276 WeakPolarHBondContact O-CB 3.45Å; H272-V276 WeakPolarHBondContact O-CG2 3.49Å; H272-V276 PolarHBondContact O-N 2.96Å; H272-E321 IonicContact CD2-OE2 2.61Å; H272-E321 IonicContact CE1-OE2 3.65Å; H272-E321 IonicContact NE2-OE1 3.8Å; H272-E321 IonicContact NE2-OE2 3.33Å; H272-E321 PolarHBondContact NE2-OE2 3.3Å |
| 273 | I | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 178.2 | -161.2 | 65.7 | 0 | 0 | 0 | 111.8 | I191 I194 L202 Y206 S270 L271 L277 | I191-I273 HydrophobicContact CD1-CG2 3.29Å; I191-I273 HydrophobicContact CG1-CG2 4.47Å; I191-I273 HydrophobicContact CG2-CG2 4.05Å; I194-I273 HydrophobicContact CB-CG1 4.43Å; I194-I273 HydrophobicContact CG2-CD1 4.24Å; I194-I273 HydrophobicContact CG2-CG1 3.7Å; L202-I273 HydrophobicContact CD1-CD1 3.44Å; L202-I273 VanDerWaalsContact CD1-CD1 3.44Å; L202-I273 HydrophobicContact CD2-CD1 3.86Å; L202-I273 HydrophobicContact CG-CD1 4.3Å; Y206-I273 HydrophobicContact CD2-CD1 4.37Å; S270-I273 WeakPolarHBondContact O-CG2 3.38Å; L271-I273 PolarHBondContact O-N 3.46Å; I273-L277 HydrophobicContact CG1-CD1 4.45Å; I273-L277 WeakPolarHBondContact O-CB 3.29Å; I273-L277 VanDerWaalsContact O-CG 3.32Å; I273-L277 WeakPolarHBondContact O-CG 3.16Å; I273-L277 PolarHBondContact O-N 3.29Å; I273-L277 VanDerWaalsContact O-N 3.09Å |
| 274 | I | 94.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.8 | -43.8 | 178.5 | -54.4 | -176.7 | 0 | 0 | 0 | 109.1 | I191 L253 V257 L271 H272 L277 A278 A300 C303 L304 | I191-I274 HydrophobicContact CD1-CG1 4.35Å; L253-I274 HydrophobicContact CD1-CD1 4.5Å; V257-I274 HydrophobicContact CG2-CD1 4.11Å; L271-I274 HydrophobicContact CD2-CD1 4.07Å; L271-I274 PolarHBondContact O-N 2.97Å; H272-I274 VanDerWaalsContact C-N 3.29Å; H272-I274 PolarHBondContact O-N 2.93Å; I274-L277 PolarHBondContact O-N 3.33Å; I274-A278 VanDerWaalsContact O-CB 3.28Å; I274-A278 WeakPolarHBondContact O-CB 3.49Å; I274-A278 PolarHBondContact O-N 3.21Å; I274-A300 HydrophobicContact CG2-CB 4.33Å; I274-A300 WeakPolarHBondContact CG2-O 3.43Å; I274-C303 HydrophobicContact CD1-CB 4.39Å; I274-C303 HydrophobicContact CG2-CB 3.86Å; I274-L304 HydrophobicContact CB-CD2 4.4Å; I274-L304 HydrophobicContact CG2-CD2 3.69Å; I274-L304 HydrophobicContact CG2-CG 3.86Å |
| 275 | Y | 93.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 174.6 | -68.6 | -42 | 0 | 0 | 0 | 111.8 | I217 L271 H272 L277 A278 F279 L304 F325 | I217-Y275 HydrophobicContact CD1-CD2 3.84Å; I217-Y275 HydrophobicContact CD1-CG 4.17Å; I217-Y275 HydrophobicContact CG1-CD2 3.86Å; I217-Y275 HydrophobicContact CG1-CG 4.25Å; L271-Y275 HydrophobicContact CB-CD2 4.24Å; L271-Y275 HydrophobicContact CB-CE2 3.8Å; L271-Y275 WeakPolarHBondContact O-CD2 3.46Å; L271-Y275 PolarHBondContact O-N 2.9Å; H272-Y275 PolarHBondContact O-N 3.26Å; Y275-L277 VanDerWaalsContact C-N 3.33Å; Y275-L277 PolarHBondContact O-N 2.69Å; Y275-A278 PolarHBondContact O-N 2.97Å; Y275-F279 VanDerWaalsContact O-CB 3.22Å; Y275-F279 WeakPolarHBondContact O-CB 3.36Å; Y275-F279 PolarHBondContact O-N 3.34Å; Y275-L304 HydrophobicContact CD1-CD1 3.86Å; Y275-L304 HydrophobicContact CD1-CD2 3.67Å; Y275-L304 HydrophobicContact CD1-CG 4.43Å; Y275-L304 HydrophobicContact CE1-CD1 4.19Å; Y275-L304 HydrophobicContact CE1-CD2 3.46Å; Y275-L304 VanDerWaalsContact CE1-CD2 3.46Å; Y275-L304 HydrophobicContact CE1-CG 4.48Å; Y275-F325 HydrophobicContact CD1-CB 4.05Å; Y275-F325 AromaticContact CD1-CD1 3.88Å; Y275-F325 HydrophobicContact CD1-CD1 3.88Å; Y275-F325 AromaticContact CD1-CD2 3.67Å; Y275-F325 HydrophobicContact CD1-CD2 3.67Å; Y275-F325 HydrophobicContact CD1-CE1 4.24Å; Y275-F325 HydrophobicContact CD1-CE2 4.06Å; Y275-F325 AromaticContact CD1-CG 3.57Å; Y275-F325 HydrophobicContact CD1-CG 3.57Å; Y275-F325 HydrophobicContact CD1-CZ 4.31Å; Y275-F325 HydrophobicContact CE1-CB 4.25Å; Y275-F325 HydrophobicContact CE1-CD1 4.14Å; Y275-F325 HydrophobicContact CE1-CG 4.07Å; Y275-F325 HydrophobicContact CG-CB 4.32Å; Y275-F325 AromaticContact CG-CD2 3.86Å; Y275-F325 HydrophobicContact CG-CD2 3.86Å; Y275-F325 HydrophobicContact CG-CE2 4.39Å; Y275-F325 HydrophobicContact CG-CG 4.07Å; Y275-F325 WeakPolarHBondContact O-CE2 3.36Å |
| 276 | V | 92.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 179.2 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | L202 V220 L221 F224 H272 F279 | L202-V276 HydrophobicContact CD2-CG1 3.93Å; V220-V276 HydrophobicContact CG1-CG2 3.78Å; L221-V276 HydrophobicContact CD2-CG2 4.07Å; F224-V276 HydrophobicContact CD1-CG1 3.65Å; F224-V276 HydrophobicContact CD2-CG1 3.77Å; F224-V276 HydrophobicContact CE1-CG1 3.43Å; F224-V276 VanDerWaalsContact CE1-CG1 3.43Å; F224-V276 HydrophobicContact CE2-CG1 3.6Å; F224-V276 HydrophobicContact CG-CG1 3.8Å; F224-V276 HydrophobicContact CZ-CG1 3.42Å; F224-V276 VanDerWaalsContact CZ-CG1 3.42Å; H272-V276 WeakPolarHBondContact O-CB 3.45Å; H272-V276 WeakPolarHBondContact O-CG2 3.49Å; H272-V276 PolarHBondContact O-N 2.96Å; V276-F279 WeakPolarHBondContact O-CB 3.21Å; V276-F279 PolarHBondContact O-N 3.16Å |
| 277 | L | 92.3 | Very high | 83 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.3 | -41.1 | 178.6 | -72.2 | 172.3 | 0 | 0 | 0 | 113 | I194 L198 L250 I273 I274 Y275 F279 V280 I296 S297 A300 | I194-L277 HydrophobicContact CG2-CD1 3.97Å; L198-L277 HydrophobicContact CD1-CD1 4.41Å; L198-L277 HydrophobicContact CD1-CD2 3.71Å; L198-L277 HydrophobicContact CD1-CG 4.38Å; L250-L277 HydrophobicContact CD1-CD1 4.29Å; L250-L277 HydrophobicContact CD2-CD1 4.04Å; I273-L277 HydrophobicContact CG1-CD1 4.45Å; I273-L277 WeakPolarHBondContact O-CB 3.29Å; I273-L277 VanDerWaalsContact O-CG 3.32Å; I273-L277 WeakPolarHBondContact O-CG 3.16Å; I273-L277 PolarHBondContact O-N 3.29Å; I273-L277 VanDerWaalsContact O-N 3.09Å; I274-L277 PolarHBondContact O-N 3.33Å; Y275-L277 VanDerWaalsContact C-N 3.33Å; Y275-L277 PolarHBondContact O-N 2.69Å; L277-F279 VanDerWaalsContact C-N 3.25Å; L277-F279 PolarHBondContact O-N 3.4Å; L277-V280 PolarHBondContact O-N 2.98Å; L277-I296 HydrophobicContact CD2-CG2 4.03Å; L277-S297 WeakPolarHBondContact O-CA 3.25Å; L277-S297 WeakPolarHBondContact O-CB 3.38Å; L277-S297 PolarHBondContact O-OG 3.37Å; L277-A300 HydrophobicContact CB-CB 3.67Å |
| 278 | A | 91.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I274 Y275 V280 G281 L282 S297 A300 V301 L304 F325 | I274-A278 VanDerWaalsContact O-CB 3.28Å; I274-A278 WeakPolarHBondContact O-CB 3.49Å; I274-A278 PolarHBondContact O-N 3.21Å; Y275-A278 PolarHBondContact O-N 2.97Å; A278-V280 VanDerWaalsContact C-N 3.28Å; A278-V280 PolarHBondContact O-N 2.93Å; A278-G281 PolarHBondContact O-N 3.35Å; A278-L282 HydrophobicContact CB-CD1 4.2Å; A278-L282 WeakPolarHBondContact O-CB 3.24Å; A278-L282 VanDerWaalsContact O-CG 3.28Å; A278-L282 WeakPolarHBondContact O-CG 3.21Å; A278-L282 PolarHBondContact O-N 3.29Å; A278-L282 VanDerWaalsContact O-N 3.16Å; A278-S297 WeakPolarHBondContact CA-OG 3.45Å; A278-S297 PolarHBondContact O-OG 2.98Å; A278-A300 HydrophobicContact CB-CB 3.98Å; A278-V301 HydrophobicContact CB-CG2 3.93Å; A278-L304 HydrophobicContact CB-CD1 3.61Å; A278-F325 HydrophobicContact CB-CZ 4.11Å |
| 279 | F | 88.9 | Confident | 80.9 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.4 | -31.7 | -177.5 | -166.3 | -121.8 | 0 | 0 | 0 | 113.6 | L221 I225 Y275 V276 L277 G281 L282 Q283 F325 V329 | L221-F279 HydrophobicContact CB-CD1 4.36Å; L221-F279 HydrophobicContact CB-CE1 3.97Å; L221-F279 HydrophobicContact CB-CZ 4.3Å; L221-F279 HydrophobicContact CD1-CD2 4.16Å; L221-F279 HydrophobicContact CD1-CE2 4.17Å; L221-F279 HydrophobicContact CD1-CG 4.39Å; L221-F279 HydrophobicContact CD1-CZ 4.34Å; L221-F279 HydrophobicContact CD2-CB 3.83Å; L221-F279 HydrophobicContact CD2-CD1 3.69Å; L221-F279 HydrophobicContact CD2-CD2 4.33Å; L221-F279 HydrophobicContact CD2-CE1 4.17Å; L221-F279 HydrophobicContact CD2-CG 3.74Å; L221-F279 HydrophobicContact CG-CD1 4.42Å; L221-F279 HydrophobicContact CG-CE1 4.43Å; I225-F279 HydrophobicContact CD1-CD1 4.48Å; I225-F279 HydrophobicContact CD1-CE1 3.31Å; I225-F279 HydrophobicContact CD1-CZ 3.71Å; I225-F279 HydrophobicContact CG1-CD1 4.22Å; I225-F279 HydrophobicContact CG1-CE1 3.44Å; I225-F279 VanDerWaalsContact CG1-CE1 3.44Å; I225-F279 HydrophobicContact CG1-CZ 4.31Å; Y275-F279 VanDerWaalsContact O-CB 3.22Å; Y275-F279 WeakPolarHBondContact O-CB 3.36Å; Y275-F279 PolarHBondContact O-N 3.34Å; V276-F279 WeakPolarHBondContact O-CB 3.21Å; V276-F279 PolarHBondContact O-N 3.16Å; L277-F279 VanDerWaalsContact C-N 3.25Å; L277-F279 PolarHBondContact O-N 3.4Å; F279-G281 VanDerWaalsContact C-N 3.27Å; F279-G281 PolarHBondContact O-N 3.28Å; F279-L282 PolarHBondContact O-N 3.2Å; F279-Q283 HydrophobicContact CD1-CG 4.18Å; F279-Q283 HydrophobicContact CE1-CG 4.06Å; F279-Q283 HydrophobicContact CE2-CG 4.45Å; F279-Q283 HydrophobicContact CG-CG 4.49Å; F279-Q283 HydrophobicContact CZ-CG 4.17Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.29Å; F279-Q283 WeakPolarHBondContact O-CG 3.32Å; F279-Q283 PolarHBondContact O-N 2.82Å; F279-Q283 VanDerWaalsContact O-N 3.07Å; F279-F325 HydrophobicContact CB-CE2 4.13Å; F279-F325 HydrophobicContact CD2-CE2 4.16Å; F279-V329 HydrophobicContact CD2-CG2 3.73Å; F279-V329 HydrophobicContact CE2-CB 4.49Å; F279-V329 HydrophobicContact CE2-CG2 3.9Å |
| 280 | V | 85 | Confident | 80.4 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.7 | -43.5 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | F224 L228 F235 L277 A278 M289 C293 | F224-V280 HydrophobicContact CE1-CG2 3.82Å; F224-V280 HydrophobicContact CZ-CG2 4.21Å; L228-V280 HydrophobicContact CD1-CG2 4.2Å; F235-V280 HydrophobicContact CE1-CG1 4.36Å; F235-V280 HydrophobicContact CE1-CG2 4.26Å; F235-V280 HydrophobicContact CZ-CG2 4.16Å; L277-V280 PolarHBondContact O-N 2.98Å; A278-V280 VanDerWaalsContact C-N 3.28Å; A278-V280 PolarHBondContact O-N 2.93Å; V280-M289 HydrophobicContact CG1-CE 4.4Å; V280-M289 HydrophobicContact CG1-CG 4.4Å; V280-C293 HydrophobicContact CG1-CB 4.24Å |
| 281 | G | 78.2 | Confident | 80 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -91.3 | -13.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A278 F279 S297 R362 | A278-G281 PolarHBondContact O-N 3.35Å; F279-G281 VanDerWaalsContact C-N 3.27Å; F279-G281 PolarHBondContact O-N 3.28Å; G281-S297 VanDerWaalsContact CA-OG 3.23Å; G281-S297 WeakPolarHBondContact CA-OG 3.46Å; G281-S297 PolarHBondContact N-OG 3.28Å; G281-R362 WeakPolarHBondContact O-CD 3.42Å; G281-R362 WeakPolarHBondContact O-CG 3.31Å |
| 282 | L | 81.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -97.4 | -7.1 | 179.8 | -68.3 | 172.4 | 0 | 0 | 0 | 114 | A278 F279 L284 V301 F325 V329 R362 N365 A366 L369 | A278-L282 HydrophobicContact CB-CD1 4.2Å; A278-L282 WeakPolarHBondContact O-CB 3.24Å; A278-L282 VanDerWaalsContact O-CG 3.28Å; A278-L282 WeakPolarHBondContact O-CG 3.21Å; A278-L282 PolarHBondContact O-N 3.29Å; A278-L282 VanDerWaalsContact O-N 3.16Å; F279-L282 PolarHBondContact O-N 3.2Å; L282-L284 WeakPolarHBondContact O-CG 3.43Å; L282-L284 PolarHBondContact O-N 3.31Å; L282-V301 HydrophobicContact CD1-CG2 3.8Å; L282-V301 HydrophobicContact CD2-CG2 4.15Å; L282-V301 HydrophobicContact CG-CG2 3.91Å; L282-F325 HydrophobicContact CD1-CE1 4.2Å; L282-F325 HydrophobicContact CD1-CZ 3.73Å; L282-V329 HydrophobicContact CB-CG1 4.12Å; L282-V329 HydrophobicContact CB-CG2 4.15Å; L282-V329 HydrophobicContact CD1-CG2 4.41Å; L282-R362 WeakPolarHBondContact CD2-O 3.47Å; L282-N365 HydrophobicContact CD2-CB 4.13Å; L282-A366 HydrophobicContact CD2-CB 3.98Å; L282-L369 HydrophobicContact CD1-CD1 3.82Å |
| 283 | Q | 77 | Confident | 79.4 | Confident | 17 Ų | 17 | 27 Ų | 27 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | trans | -61.4 | 109.2 | 171.3 | -77.5 | -114.5 | -63.3 | 0 | 0 | 110.9 | F279 T285 V286 | F279-Q283 HydrophobicContact CD1-CG 4.18Å; F279-Q283 HydrophobicContact CE1-CG 4.06Å; F279-Q283 HydrophobicContact CE2-CG 4.45Å; F279-Q283 HydrophobicContact CG-CG 4.49Å; F279-Q283 HydrophobicContact CZ-CG 4.17Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.29Å; F279-Q283 WeakPolarHBondContact O-CG 3.32Å; F279-Q283 PolarHBondContact O-N 2.82Å; F279-Q283 VanDerWaalsContact O-N 3.07Å; Q283-T285 VanDerWaalsContact C-N 3.34Å; Q283-T285 PolarHBondContact O-N 2.97Å; Q283-V286 HydrophobicContact CB-CB 4.43Å | ||
| 284 | L | 66.4 | Low | 78.9 | Confident | 26 Ų | 26 | 28.5 Ų | 28.5 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -78.2 | -17 | -172.7 | -59.5 | 177 | 0 | 0 | 0 | 113.9 | L282 F330 L333 F363 | L282-L284 WeakPolarHBondContact O-CG 3.43Å; L282-L284 PolarHBondContact O-N 3.31Å; L284-F330 HydrophobicContact CD1-CD1 4.4Å; L284-F330 HydrophobicContact CD1-CE1 4.46Å; L284-L333 HydrophobicContact CD1-CD1 3.5Å; L284-L333 VanDerWaalsContact CD1-CD1 3.5Å; L284-L333 HydrophobicContact CD1-CG 4.07Å; L284-F363 HydrophobicContact CD1-CD2 3.83Å; L284-F363 HydrophobicContact CD1-CE2 3.89Å; L284-F363 HydrophobicContact CD2-CB 4.37Å; L284-F363 HydrophobicContact CD2-CD2 3.77Å; L284-F363 HydrophobicContact CG-CD2 4.46Å |
| 285 | T | 61.8 | Low | 78.4 | Confident | 48 Ų | 48 | 30.8 Ų | 30.8 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -114.2 | -0.3 | -168.8 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | Q283 D332 A336 | Q283-T285 VanDerWaalsContact C-N 3.34Å; Q283-T285 PolarHBondContact O-N 2.97Å; T285-D332 HydrophobicContact CG2-CB 3.72Å; T285-D332 WeakPolarHBondContact CG2-O 3.1Å; T285-D332 WeakPolarHBondContact OG1-CB 3.44Å; T285-A336 HydrophobicContact CG2-CB 4.12Å |
| 286 | V | 60.3 | Low | 78.3 | Confident | 49 Ų | 49 | 30.8 Ų | 30.8 | 30% | 0.297 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -109.8 | 143.3 | -172 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | Q283 | Q283-V286 HydrophobicContact CB-CB 4.43Š|
| 287 | Q | 58.9 | Low | 78.1 | Confident | 166 Ų | 166 | 30.9 Ų | 30.9 | 78% | 0.776 | 17% | 0.173 | S | C | * | . | P | Polyproline II helix | trans | -53.9 | 163.5 | -176.7 | -93.6 | -164.8 | 4.6 | 0 | 0 | 115.3 | M289 | Q287-M289 PolarHBondContact O-N 3.14Å; Q287-M289 VanDerWaalsContact O-N 3.17Å |
| 288 | P | 54.2 | Low | 77.9 | Confident | 77 Ų | 77 | 34.9 Ų | 34.9 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -61.3 | 121.2 | -165.5 | 24.2 | -33.9 | 0 | 0 | 0 | 111.9 | ||
| 289 | M | 66.6 | Low | 77.9 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 155.7 | 171.3 | -68.5 | -64 | -158.1 | 0 | 0 | 110.6 | L228 N232 V280 Q287 L294 | L228-M289 HydrophobicContact CD2-CE 4.1Å; N232-M289 PolarHBondContact OD1-SD 3.11Å; N232-M289 VanDerWaalsContact OD1-SD 3.37Å; V280-M289 HydrophobicContact CG1-CE 4.4Å; V280-M289 HydrophobicContact CG1-CG 4.4Å; Q287-M289 PolarHBondContact O-N 3.14Å; Q287-M289 VanDerWaalsContact O-N 3.17Å; M289-L294 HydrophobicContact CB-CD2 4.28Å; M289-L294 HydrophobicContact CB-CG 4.45Å |
| 290 | D | 78.2 | Confident | 78.1 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -52.5 | 137.7 | 173.1 | -175.4 | -75 | 0 | 0 | 0 | 111 | A236 R240 T292 C293 L294 | A236-D290 HydrophobicContact CB-CB 3.88Å; R240-D290 IonicContact CZ-OD2 3.46Å; R240-D290 IonicContact NE-OD2 2.65Å; R240-D290 IonicContact NH1-OD2 3.14Å; R240-D290 PolarHBondContact NH1-OD2 3.36Å; D290-T292 PolarHBondContact O-N 2.93Å; D290-T292 WeakPolarHBondContact OD1-CB 3.36Å; D290-T292 PolarHBondContact OD1-N 3.25Å; D290-T292 PolarHBondContact OD1-OG1 3.47Å; D290-C293 WeakPolarHBondContact O-CB 3.31Å; D290-C293 PolarHBondContact O-N 3.28Å; D290-L294 PolarHBondContact O-N 2.96Å |
| 291 | P | 80 | Confident | 78.4 | Confident | 69 Ų | 69 | 37 Ų | 37 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.2 | -33.5 | -177.2 | 21 | -32.5 | 0 | 0 | 0 | 113.2 | C293 L294 D295 | P291-C293 VanDerWaalsContact C-N 3.33Å; P291-C293 PolarHBondContact O-N 3.15Å; P291-L294 WeakPolarHBondContact O-CB 3.5Å; P291-L294 PolarHBondContact O-N 3.45Å; P291-L294 VanDerWaalsContact O-N 3.12Å; P291-D295 PolarHBondContact O-N 3.31Å |
| 292 | T | 84.9 | Confident | 78.9 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 17% | 0.172 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.7 | -34.5 | 178 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | R240 F243 D290 L294 D295 I296 | R240-T292 HydrophobicContact CG-CG2 3.93Å; R240-T292 VanDerWaalsContact CG-OG1 3.24Å; R240-T292 WeakPolarHBondContact CG-OG1 3.42Å; F243-T292 HydrophobicContact CD2-CG2 4.21Å; F243-T292 HydrophobicContact CE2-CG2 4.27Å; D290-T292 PolarHBondContact O-N 2.93Å; D290-T292 WeakPolarHBondContact OD1-CB 3.36Å; D290-T292 PolarHBondContact OD1-N 3.25Å; D290-T292 PolarHBondContact OD1-OG1 3.47Å; T292-L294 VanDerWaalsContact C-N 3.27Å; T292-L294 PolarHBondContact O-N 2.89Å; T292-D295 PolarHBondContact O-N 2.72Å; T292-I296 WeakPolarHBondContact O-CG1 3.43Å; T292-I296 PolarHBondContact O-N 2.89Å; T292-I296 VanDerWaalsContact O-N 3.16Å |
| 293 | C | 86.6 | Confident | 79.5 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -33.9 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | F235 V280 D290 P291 S297 | F235-C293 HydrophobicContact CE1-CB 4.44Å; V280-C293 HydrophobicContact CG1-CB 4.24Å; D290-C293 WeakPolarHBondContact O-CB 3.31Å; D290-C293 PolarHBondContact O-N 3.28Å; P291-C293 VanDerWaalsContact C-N 3.33Å; P291-C293 PolarHBondContact O-N 3.15Å; C293-S297 WeakPolarHBondContact O-CB 3.41Å; C293-S297 PolarHBondContact O-N 3.44Å |
| 294 | L | 83 | Confident | 80.1 | Confident | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.8 | -42.9 | 177.5 | -63.3 | 172.6 | 0 | 0 | 0 | 112.2 | M289 D290 P291 T292 I296 S297 E298 | M289-L294 HydrophobicContact CB-CD2 4.28Å; M289-L294 HydrophobicContact CB-CG 4.45Å; D290-L294 PolarHBondContact O-N 2.96Å; P291-L294 WeakPolarHBondContact O-CB 3.5Å; P291-L294 PolarHBondContact O-N 3.45Å; P291-L294 VanDerWaalsContact O-N 3.12Å; T292-L294 VanDerWaalsContact C-N 3.27Å; T292-L294 PolarHBondContact O-N 2.89Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 2.84Å; L294-S297 WeakPolarHBondContact O-CB 3.5Å; L294-S297 PolarHBondContact O-N 2.95Å; L294-S297 VanDerWaalsContact O-N 3.14Å; L294-E298 WeakPolarHBondContact O-CB 3.5Å; L294-E298 PolarHBondContact O-N 3.35Å |
| 295 | D | 84.6 | Confident | 81.2 | Confident | 49 Ų | 49 | 38.3 Ų | 38.3 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.6 | -71.8 | -35.9 | 0 | 0 | 0 | 111.1 | F243 P291 T292 S297 E298 L299 R357 | F243-D295 HydrophobicContact CE2-CB 3.99Å; F243-D295 HydrophobicContact CZ-CB 4.17Å; P291-D295 PolarHBondContact O-N 3.31Å; T292-D295 PolarHBondContact O-N 2.72Å; D295-S297 VanDerWaalsContact C-N 3.34Å; D295-S297 PolarHBondContact O-N 2.92Å; D295-E298 PolarHBondContact O-N 3.46Å; D295-L299 WeakPolarHBondContact O-CG 3.46Å; D295-L299 PolarHBondContact O-N 3.08Å; D295-L299 VanDerWaalsContact O-N 3.17Å; D295-R357 IonicContact OD1-NH1 3.71Å; D295-R357 PolarHBondContact OD1-NH1 3.35Å |
| 296 | I | 91 | Very high | 82.3 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 175.1 | -69 | -54.5 | 0 | 0 | 0 | 111.4 | V239 F243 L246 L250 L277 T292 L294 L299 A300 | V239-I296 HydrophobicContact CG1-CG1 3.81Å; F243-I296 HydrophobicContact CD2-CD1 4.15Å; F243-I296 HydrophobicContact CD2-CG1 4.14Å; F243-I296 HydrophobicContact CE2-CD1 4.2Å; F243-I296 HydrophobicContact CE2-CG1 4.21Å; L246-I296 HydrophobicContact CB-CD1 3.68Å; L250-I296 HydrophobicContact CD1-CB 4.49Å; L250-I296 HydrophobicContact CD1-CD1 4.29Å; L250-I296 HydrophobicContact CD1-CG2 3.65Å; L277-I296 HydrophobicContact CD2-CG2 4.03Å; T292-I296 WeakPolarHBondContact O-CG1 3.43Å; T292-I296 PolarHBondContact O-N 2.89Å; T292-I296 VanDerWaalsContact O-N 3.16Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 2.84Å; I296-L299 PolarHBondContact O-N 3.46Å; I296-A300 PolarHBondContact O-N 3.48Å; I296-A300 VanDerWaalsContact O-N 3.09Å |
| 297 | S | 89.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 177.5 | -164.7 | 0 | 0 | 0 | 0 | 112.4 | L277 A278 G281 C293 L294 D295 L299 A300 V301 | L277-S297 WeakPolarHBondContact O-CA 3.25Å; L277-S297 WeakPolarHBondContact O-CB 3.38Å; L277-S297 PolarHBondContact O-OG 3.37Å; A278-S297 WeakPolarHBondContact CA-OG 3.45Å; A278-S297 PolarHBondContact O-OG 2.98Å; G281-S297 VanDerWaalsContact CA-OG 3.23Å; G281-S297 WeakPolarHBondContact CA-OG 3.46Å; G281-S297 PolarHBondContact N-OG 3.28Å; C293-S297 WeakPolarHBondContact O-CB 3.41Å; C293-S297 PolarHBondContact O-N 3.44Å; L294-S297 WeakPolarHBondContact O-CB 3.5Å; L294-S297 PolarHBondContact O-N 2.95Å; L294-S297 VanDerWaalsContact O-N 3.14Å; D295-S297 VanDerWaalsContact C-N 3.34Å; D295-S297 PolarHBondContact O-N 2.92Å; S297-L299 VanDerWaalsContact C-N 3.32Å; S297-L299 PolarHBondContact O-N 3.02Å; S297-A300 WeakPolarHBondContact O-CB 3.31Å; S297-A300 PolarHBondContact O-N 3.25Å; S297-A300 VanDerWaalsContact O-N 3.12Å; S297-V301 WeakPolarHBondContact O-CG2 3.41Å; S297-V301 PolarHBondContact O-N 2.85Å |
| 298 | E | 87.8 | Confident | 84.6 | Confident | 87 Ų | 87 | 27.9 Ų | 27.9 | 41% | 0.407 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.2 | -39 | 177.5 | -170.9 | 169.4 | -158.4 | 0 | 0 | 111.8 | L294 D295 V301 S302 | L294-E298 WeakPolarHBondContact O-CB 3.5Å; L294-E298 PolarHBondContact O-N 3.35Å; D295-E298 PolarHBondContact O-N 3.46Å; E298-V301 PolarHBondContact O-N 3.09Å; E298-S302 PolarHBondContact O-N 3.23Å |
| 299 | L | 91 | Very high | 85.7 | Confident | 51 Ų | 51 | 30.7 Ų | 30.7 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 171.6 | -68.7 | 170.5 | 0 | 0 | 0 | 112 | T247 L250 D295 I296 S297 S302 C303 | T247-L299 HydrophobicContact CG2-CD1 3.91Å; L250-L299 HydrophobicContact CB-CB 3.98Å; L250-L299 HydrophobicContact CB-CD1 4.42Å; L250-L299 HydrophobicContact CD1-CB 4.2Å; D295-L299 WeakPolarHBondContact O-CG 3.46Å; D295-L299 PolarHBondContact O-N 3.08Å; D295-L299 VanDerWaalsContact O-N 3.17Å; I296-L299 PolarHBondContact O-N 3.46Å; S297-L299 VanDerWaalsContact C-N 3.32Å; S297-L299 PolarHBondContact O-N 3.02Å; L299-S302 WeakPolarHBondContact O-CB 3.44Å; L299-S302 PolarHBondContact O-N 3.04Å; L299-C303 PolarHBondContact O-N 3.15Å; L299-C303 PolarHBondContact O-SG 2.97Å |
| 300 | A | 93.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L250 I274 L277 A278 I296 S297 S302 C303 L304 | L250-A300 HydrophobicContact CD2-CB 4.34Å; I274-A300 HydrophobicContact CG2-CB 4.33Å; I274-A300 WeakPolarHBondContact CG2-O 3.43Å; L277-A300 HydrophobicContact CB-CB 3.67Å; A278-A300 HydrophobicContact CB-CB 3.98Å; I296-A300 PolarHBondContact O-N 3.48Å; I296-A300 VanDerWaalsContact O-N 3.09Å; S297-A300 WeakPolarHBondContact O-CB 3.31Å; S297-A300 PolarHBondContact O-N 3.25Å; S297-A300 VanDerWaalsContact O-N 3.12Å; A300-S302 VanDerWaalsContact C-N 3.34Å; A300-C303 WeakPolarHBondContact O-CB 3.25Å; A300-C303 PolarHBondContact O-N 3.25Å; A300-L304 PolarHBondContact O-N 2.84Å; A300-L304 VanDerWaalsContact O-N 3.1Å |
| 301 | V | 90.4 | Very high | 86.3 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 171.4 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | A278 L282 S297 E298 C303 L304 Q305 N365 L369 | A278-V301 HydrophobicContact CB-CG2 3.93Å; L282-V301 HydrophobicContact CD1-CG2 3.8Å; L282-V301 HydrophobicContact CD2-CG2 4.15Å; L282-V301 HydrophobicContact CG-CG2 3.91Å; S297-V301 WeakPolarHBondContact O-CG2 3.41Å; S297-V301 PolarHBondContact O-N 2.85Å; E298-V301 PolarHBondContact O-N 3.09Å; V301-C303 VanDerWaalsContact C-N 3.29Å; V301-C303 PolarHBondContact O-N 3.29Å; V301-L304 WeakPolarHBondContact O-CB 3.34Å; V301-L304 PolarHBondContact O-N 3Å; V301-L304 VanDerWaalsContact O-N 3.08Å; V301-Q305 HydrophobicContact CG1-CG 4.46Å; V301-Q305 WeakPolarHBondContact O-CG 3.32Å; V301-Q305 PolarHBondContact O-N 3.34Å; V301-N365 HydrophobicContact CG1-CB 3.75Å; V301-L369 HydrophobicContact CG1-CD1 4.31Å |
| 302 | S | 90 | Very high | 86.3 | Confident | 42 Ų | 42 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 176.3 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | E298 L299 A300 L304 Q305 Q306 | E298-S302 PolarHBondContact O-N 3.23Å; L299-S302 WeakPolarHBondContact O-CB 3.44Å; L299-S302 PolarHBondContact O-N 3.04Å; A300-S302 VanDerWaalsContact C-N 3.34Å; S302-L304 VanDerWaalsContact C-N 3.33Å; S302-L304 PolarHBondContact O-N 3.02Å; S302-Q305 PolarHBondContact O-N 2.82Å; S302-Q306 WeakPolarHBondContact O-CG 3.4Å; S302-Q306 PolarHBondContact O-N 3.44Å |
| 303 | C | 92.5 | Very high | 86.1 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 171.3 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | L250 G254 I274 L299 A300 V301 Q306 L307 | L250-C303 PolarHBondContact O-SG 2.82Å; L250-C303 VanDerWaalsContact O-SG 3.39Å; G254-C303 PolarHBondContact N-SG 3.12Å; G254-C303 VanDerWaalsContact N-SG 3.38Å; I274-C303 HydrophobicContact CD1-CB 4.39Å; I274-C303 HydrophobicContact CG2-CB 3.86Å; L299-C303 PolarHBondContact O-N 3.15Å; L299-C303 PolarHBondContact O-SG 2.97Å; A300-C303 WeakPolarHBondContact O-CB 3.25Å; A300-C303 PolarHBondContact O-N 3.25Å; V301-C303 VanDerWaalsContact C-N 3.29Å; V301-C303 PolarHBondContact O-N 3.29Å; C303-Q306 PolarHBondContact O-N 3.45Å; C303-L307 WeakPolarHBondContact O-CB 3.43Å; C303-L307 PolarHBondContact O-N 2.71Å |
| 304 | L | 91.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 177.5 | -64.4 | -179.4 | 0 | 0 | 0 | 112.4 | I274 Y275 A278 A300 V301 S302 L307 S308 F325 L369 | I274-L304 HydrophobicContact CB-CD2 4.4Å; I274-L304 HydrophobicContact CG2-CD2 3.69Å; I274-L304 HydrophobicContact CG2-CG 3.86Å; Y275-L304 HydrophobicContact CD1-CD1 3.86Å; Y275-L304 HydrophobicContact CD1-CD2 3.67Å; Y275-L304 HydrophobicContact CD1-CG 4.43Å; Y275-L304 HydrophobicContact CE1-CD1 4.19Å; Y275-L304 HydrophobicContact CE1-CD2 3.46Å; Y275-L304 VanDerWaalsContact CE1-CD2 3.46Å; Y275-L304 HydrophobicContact CE1-CG 4.48Å; A278-L304 HydrophobicContact CB-CD1 3.61Å; A300-L304 PolarHBondContact O-N 2.84Å; A300-L304 VanDerWaalsContact O-N 3.1Å; V301-L304 WeakPolarHBondContact O-CB 3.34Å; V301-L304 PolarHBondContact O-N 3Å; V301-L304 VanDerWaalsContact O-N 3.08Å; S302-L304 VanDerWaalsContact C-N 3.33Å; S302-L304 PolarHBondContact O-N 3.02Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 3.36Å; L304-S308 WeakPolarHBondContact O-CB 3.27Å; L304-S308 PolarHBondContact O-N 2.94Å; L304-S308 VanDerWaalsContact O-N 3.08Å; L304-S308 PolarHBondContact O-OG 3.3Å; L304-S308 VanDerWaalsContact O-OG 3.11Å; L304-F325 HydrophobicContact CD1-CE1 3.77Å; L304-F325 HydrophobicContact CD1-CZ 3.85Å; L304-L369 HydrophobicContact CB-CD1 4.37Å; L304-L369 HydrophobicContact CB-CD2 3.59Å; L304-L369 HydrophobicContact CD1-CD1 4.14Å |
| 305 | Q | 88 | Confident | 85.4 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -49.8 | 174.5 | -71.8 | 172.6 | -10.6 | 0 | 0 | 110.5 | V301 S302 L307 S308 E309 N365 L369 L372 | V301-Q305 HydrophobicContact CG1-CG 4.46Å; V301-Q305 WeakPolarHBondContact O-CG 3.32Å; V301-Q305 PolarHBondContact O-N 3.34Å; S302-Q305 PolarHBondContact O-N 2.82Å; Q305-L307 VanDerWaalsContact C-N 3.27Å; Q305-L307 PolarHBondContact O-N 2.89Å; Q305-S308 WeakPolarHBondContact CA-OG 3.27Å; Q305-S308 PolarHBondContact O-N 3.36Å; Q305-S308 PolarHBondContact O-OG 3.29Å; Q305-E309 PolarHBondContact O-N 2.92Å; Q305-E309 VanDerWaalsContact O-N 3.17Å; Q305-N365 PolarHBondContact NE2-OD1 2.92Å; Q305-L369 HydrophobicContact CG-CD2 3.73Å; Q305-L369 HydrophobicContact CG-CG 4.46Å; Q305-L372 HydrophobicContact CB-CD1 4.07Å; Q305-L372 HydrophobicContact CG-CD1 4.01Å |
| 306 | Q | 86.4 | Confident | 85.3 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -34.4 | 177 | -71.9 | 178.6 | -0.8 | 0 | 0 | 112.9 | G254 R258 S302 C303 S308 | G254-Q306 PolarHBondContact O-OE1 3.23Å; R258-Q306 HydrophobicContact CG-CB 3.85Å; R258-Q306 HydrophobicContact CG-CG 4.34Å; S302-Q306 WeakPolarHBondContact O-CG 3.4Å; S302-Q306 PolarHBondContact O-N 3.44Å; C303-Q306 PolarHBondContact O-N 3.45Å; Q306-S308 VanDerWaalsContact C-N 3.31Å |
| 307 | L | 86.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 173.6 | -173.2 | 141.7 | 0 | 0 | 0 | 112 | V257 L265 L271 C303 L304 Q305 R310 W312 F377 | V257-L307 HydrophobicContact CG1-CB 3.52Å; V257-L307 HydrophobicContact CG1-CD1 3.79Å; V257-L307 HydrophobicContact CG1-CG 3.94Å; L265-L307 HydrophobicContact CD1-CD1 4.32Å; L271-L307 HydrophobicContact CD1-CD1 3.93Å; L271-L307 HydrophobicContact CD2-CD1 3.39Å; L271-L307 HydrophobicContact CG-CD1 4.32Å; C303-L307 WeakPolarHBondContact O-CB 3.43Å; C303-L307 PolarHBondContact O-N 2.71Å; L304-L307 WeakPolarHBondContact O-CB 3.44Å; L304-L307 PolarHBondContact O-N 3.36Å; Q305-L307 VanDerWaalsContact C-N 3.27Å; Q305-L307 PolarHBondContact O-N 2.89Å; L307-R310 PolarHBondContact O-N 3.39Å; L307-W312 HydrophobicContact CD1-CH2 4.45Å; L307-W312 HydrophobicContact CD1-CZ2 3.97Å; L307-W312 HydrophobicContact CD2-CH2 4.13Å; L307-W312 HydrophobicContact CD2-CZ2 3.34Å; L307-W312 HydrophobicContact CG-CH2 4.48Å; L307-W312 HydrophobicContact CG-CZ2 3.59Å; L307-W312 PolarHBondContact O-NE1 3.38Å; L307-W312 VanDerWaalsContact O-NE1 3.11Å; L307-F377 HydrophobicContact CD2-CZ 4.12Å |
| 308 | S | 79.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -80.1 | -13.9 | -174.8 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | L304 Q305 Q306 R310 L372 C376 | L304-S308 WeakPolarHBondContact O-CB 3.27Å; L304-S308 PolarHBondContact O-N 2.94Å; L304-S308 VanDerWaalsContact O-N 3.08Å; L304-S308 PolarHBondContact O-OG 3.3Å; L304-S308 VanDerWaalsContact O-OG 3.11Å; Q305-S308 WeakPolarHBondContact CA-OG 3.27Å; Q305-S308 PolarHBondContact O-N 3.36Å; Q305-S308 PolarHBondContact O-OG 3.29Å; Q306-S308 VanDerWaalsContact C-N 3.31Å; S308-R310 PolarHBondContact O-N 3.42Å; S308-L372 WeakPolarHBondContact OG-CB 3.46Å; S308-L372 WeakPolarHBondContact OG-CD1 3.4Å; S308-C376 PolarHBondContact O-SG 3.01Å |
| 309 | E | 78.5 | Confident | 84.1 | Confident | 136 Ų | 136 | 56 Ų | 56 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8 | 171.3 | -70.8 | 171.7 | -178.3 | 0 | 0 | 113.3 | Q305 L372 | Q305-E309 PolarHBondContact O-N 2.92Å; Q305-E309 VanDerWaalsContact O-N 3.17Å; E309-L372 HydrophobicContact CG-CD2 4.33Å |
| 310 | R | 79.1 | Confident | 83.8 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -86.1 | 156.8 | -178 | -62.1 | -172.5 | 74.5 | 176.2 | -3 | 112.7 | V257 R258 T259 V260 L307 S308 W312 | V257-R310 VanDerWaalsContact O-CD 3.27Å; V257-R310 WeakPolarHBondContact O-CD 3.5Å; V257-R310 PolarHBondContact O-NH1 3.1Å; R258-R310 VanDerWaalsContact C-CZ 3.49Å; R258-R310 VanDerWaalsContact C-NH1 3.28Å; R258-R310 PolarHBondContact O-NE 3.49Å; R258-R310 VanDerWaalsContact O-NE 3.15Å; R258-R310 PolarHBondContact O-NH1 3.4Å; R258-R310 PolarHBondContact O-NH2 3.47Å; T259-R310 PolarHBondContact O-NH2 3.26Å; V260-R310 VanDerWaalsContact O-CZ 3.24Å; V260-R310 PolarHBondContact O-NH1 3.05Å; V260-R310 PolarHBondContact O-NH2 2.84Å; L307-R310 PolarHBondContact O-N 3.39Å; S308-R310 PolarHBondContact O-N 3.42Å; R310-W312 VanDerWaalsContact O-CD1 3.32Å |
| 311 | Q | 77.3 | Confident | 83.5 | Confident | 196 Ų | 196 | 55.2 Ų | 55.2 | 92% | 0.916 | 26% | 0.259 | S | S | * | . | trans | -80.8 | 125.4 | 164.6 | -69.2 | -172.6 | -3.5 | 0 | 0 | 110.7 | ||||
| 312 | W | 79.8 | Confident | 83.4 | Confident | 15 Ų | 15 | 55 Ų | 55 | 6% | 0.057 | 26% | 0.258 | C | S | . | . | trans | -105.5 | 138.5 | 179.8 | -76 | 63.9 | 0 | 0 | 0 | 111.9 | A262 L265 V266 L271 L307 R310 S316 V317 F377 K380 | A262-W312 HydrophobicContact CB-CD2 4.25Å; A262-W312 HydrophobicContact CB-CE3 4.23Å; A262-W312 HydrophobicContact CB-CZ3 4.42Å; L265-W312 HydrophobicContact CD1-CZ2 4.29Å; V266-W312 HydrophobicContact CG2-CH2 3.69Å; V266-W312 HydrophobicContact CG2-CZ3 3.41Å; V266-W312 VanDerWaalsContact CG2-CZ3 3.41Å; L271-W312 HydrophobicContact CD1-CH2 4.36Å; L307-W312 HydrophobicContact CD1-CH2 4.45Å; L307-W312 HydrophobicContact CD1-CZ2 3.97Å; L307-W312 HydrophobicContact CD2-CH2 4.13Å; L307-W312 HydrophobicContact CD2-CZ2 3.34Å; L307-W312 HydrophobicContact CG-CH2 4.48Å; L307-W312 HydrophobicContact CG-CZ2 3.59Å; L307-W312 PolarHBondContact O-NE1 3.38Å; L307-W312 VanDerWaalsContact O-NE1 3.11Å; R310-W312 VanDerWaalsContact O-CD1 3.32Å; W312-S316 VanDerWaalsContact CE3-CB 3.46Å; W312-V317 HydrophobicContact CB-CG2 3.33Å; W312-V317 HydrophobicContact CG-CG2 4.23Å; W312-F377 AromaticContact CD1-CZ 3.8Å; W312-F377 AromaticContact CD2-CE1 3.65Å; W312-F377 HydrophobicContact CD2-CE1 3.65Å; W312-F377 AromaticContact CD2-CZ 3.78Å; W312-F377 HydrophobicContact CD2-CZ 3.78Å; W312-F377 AromaticContact CE2-CZ 3.71Å; W312-F377 AromaticContact CE3-CE1 3.81Å; W312-F377 HydrophobicContact CE3-CE1 3.81Å; W312-F377 HydrophobicContact CE3-CZ 4.34Å; W312-F377 AromaticContact CG-CE1 3.91Å; W312-F377 HydrophobicContact CG-CE1 3.91Å; W312-F377 AromaticContact CG-CZ 3.96Å; W312-F377 HydrophobicContact CG-CZ 3.96Å; W312-F377 HydrophobicContact CZ2-CZ 4.34Å; W312-F377 HydrophobicContact CZ3-CE1 4.37Å; W312-F377 AromaticContact NE1-CZ 3.65Å; W312-K380 PolarHBondContact O-NZ 3.17Å | ||
| 313 | S | 80.4 | Confident | 83 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | trans | -63.9 | 153.4 | 169.1 | 94.5 | 0 | 0 | 0 | 0 | 110.1 | R315 S316 V317 | S313-R315 VanDerWaalsContact C-N 3.28Å; S313-R315 PolarHBondContact O-N 2.97Å; S313-S316 PolarHBondContact O-N 3.37Å; S313-S316 PolarHBondContact OG-N 3.47Å; S313-S316 PolarHBondContact OG-OG 3.11Å; S313-V317 WeakPolarHBondContact O-CG2 3.45Å; S313-V317 PolarHBondContact O-N 3.1Å | ||
| 314 | L | 76.9 | Confident | 82.7 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 51% | 0.508 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 179.7 | -175.9 | 66.8 | 0 | 0 | 0 | 111.8 | S316 V317 E318 K380 | L314-S316 PolarHBondContact O-N 3.21Å; L314-V317 PolarHBondContact O-N 3.1Å; L314-E318 WeakPolarHBondContact O-CG 3.38Å; L314-E318 PolarHBondContact O-N 3.22Å; L314-K380 HydrophobicContact CD1-CB 4.27Å; L314-K380 HydrophobicContact CD1-CD 4.05Å; L314-K380 HydrophobicContact CD1-CG 4.05Å |
| 315 | R | 79.5 | Confident | 82.7 | Confident | 185 Ų | 185 | 56.8 Ų | 56.8 | 70% | 0.698 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 178.8 | -69.6 | -178.3 | 178.2 | 174.6 | -0.3 | 112.5 | S313 V317 E318 K319 | S313-R315 VanDerWaalsContact C-N 3.28Å; S313-R315 PolarHBondContact O-N 2.97Å; R315-V317 VanDerWaalsContact C-N 3.34Å; R315-E318 PolarHBondContact O-N 3.18Å; R315-K319 WeakPolarHBondContact O-CG 3.31Å; R315-K319 PolarHBondContact O-N 3.31Å |
| 316 | S | 82.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 179.3 | -36.1 | 0 | 0 | 0 | 0 | 110.5 | D263 W312 S313 L314 K319 S320 | D263-S316 PolarHBondContact OD1-OG 3.32Å; W312-S316 VanDerWaalsContact CE3-CB 3.46Å; S313-S316 PolarHBondContact O-N 3.37Å; S313-S316 PolarHBondContact OG-N 3.47Å; S313-S316 PolarHBondContact OG-OG 3.11Å; L314-S316 PolarHBondContact O-N 3.21Å; S316-K319 PolarHBondContact O-N 3.02Å; S316-S320 PolarHBondContact O-N 3.45Å; S316-S320 VanDerWaalsContact O-N 3.09Å |
| 317 | V | 79.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 173.4 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | W312 S313 L314 R315 K319 S320 F377 K380 Q381 | W312-V317 HydrophobicContact CB-CG2 3.33Å; W312-V317 HydrophobicContact CG-CG2 4.23Å; S313-V317 WeakPolarHBondContact O-CG2 3.45Å; S313-V317 PolarHBondContact O-N 3.1Å; L314-V317 PolarHBondContact O-N 3.1Å; R315-V317 VanDerWaalsContact C-N 3.34Å; V317-K319 PolarHBondContact O-N 3.22Å; V317-S320 VanDerWaalsContact O-CB 3.28Å; V317-S320 WeakPolarHBondContact O-CB 3.33Å; V317-S320 PolarHBondContact O-N 3.32Å; V317-F377 HydrophobicContact CB-CD1 4.29Å; V317-F377 HydrophobicContact CG1-CB 4.5Å; V317-F377 HydrophobicContact CG1-CD1 3.92Å; V317-F377 HydrophobicContact CG2-CD1 3.91Å; V317-F377 HydrophobicContact CG2-CE1 4.15Å; V317-K380 HydrophobicContact CB-CD 4.09Å; V317-K380 HydrophobicContact CG1-CB 3.72Å; V317-K380 HydrophobicContact CG1-CD 3.96Å; V317-K380 HydrophobicContact CG2-CD 3.84Å; V317-Q381 HydrophobicContact CG1-CG 3.7Å; V317-Q381 PolarHBondContact O-NE2 3.33Å |
| 318 | E | 79.1 | Confident | 82.6 | Confident | 114 Ų | 114 | 54.7 Ų | 54.7 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.4 | -33.9 | -179.2 | -73.4 | 169.4 | 173.7 | 0 | 0 | 113.4 | L314 R315 | L314-E318 WeakPolarHBondContact O-CG 3.38Å; L314-E318 PolarHBondContact O-N 3.22Å; R315-E318 PolarHBondContact O-N 3.18Å |
| 319 | K | 83.3 | Confident | 82.9 | Confident | 140 Ų | 140 | 55 Ų | 55 | 61% | 0.609 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -81.6 | -15 | 175.9 | -65.9 | 179.1 | 178 | -177.3 | 0 | 113.9 | V266 R315 S316 V317 E321 | V266-K319 HydrophobicContact CG1-CB 3.63Å; V266-K319 WeakPolarHBondContact CG1-O 3.46Å; R315-K319 WeakPolarHBondContact O-CG 3.31Å; R315-K319 PolarHBondContact O-N 3.31Å; S316-K319 PolarHBondContact O-N 3.02Å; V317-K319 PolarHBondContact O-N 3.22Å; K319-E321 PolarHBondContact O-N 2.88Å |
| 320 | S | 85.4 | Confident | 83 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | trans | -68.7 | 126.3 | -179 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | S316 V317 M322 Q381 | S316-S320 PolarHBondContact O-N 3.45Å; S316-S320 VanDerWaalsContact O-N 3.09Å; V317-S320 VanDerWaalsContact O-CB 3.28Å; V317-S320 WeakPolarHBondContact O-CB 3.33Å; V317-S320 PolarHBondContact O-N 3.32Å; S320-M322 VanDerWaalsContact C-N 3.31Å; S320-M322 PolarHBondContact O-N 2.92Å; S320-M322 PolarHBondContact OG-N 3.09Å; S320-Q381 PolarHBondContact O-NE2 3.17Å; S320-Q381 VanDerWaalsContact O-NE2 3.09Å | ||
| 321 | E | 88.1 | Confident | 83.2 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | trans | -92.1 | 16.1 | 177.7 | -62.7 | 177 | 99.8 | 0 | 0 | 113.2 | N216 I217 H269 H272 K319 V323 F324 F325 | N216-E321 VanDerWaalsContact CA-OE1 3.26Å; N216-E321 WeakPolarHBondContact CA-OE1 3.47Å; N216-E321 WeakPolarHBondContact CB-OE1 2.97Å; I217-E321 HydrophobicContact CB-CB 4.17Å; I217-E321 HydrophobicContact CG2-CB 3.62Å; I217-E321 HydrophobicContact CG2-CG 4.46Å; I217-E321 PolarHBondContact N-OE1 2.68Å; H269-E321 IonicContact ND1-OE2 3.88Å; H272-E321 IonicContact CD2-OE2 2.61Å; H272-E321 IonicContact CE1-OE2 3.65Å; H272-E321 IonicContact NE2-OE1 3.8Å; H272-E321 IonicContact NE2-OE2 3.33Å; H272-E321 PolarHBondContact NE2-OE2 3.3Å; K319-E321 PolarHBondContact O-N 2.88Å; E321-V323 PolarHBondContact O-N 3.4Å; E321-F324 HydrophobicContact CB-CD2 4.21Å; E321-F324 HydrophobicContact CG-CD2 4.35Å; E321-F324 PolarHBondContact O-N 3.42Å; E321-F325 PolarHBondContact O-N 2.97Å | ||
| 322 | M | 87 | Confident | 82.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.9 | -33.3 | -178.3 | -169.3 | 174.4 | -175 | 0 | 0 | 112.8 | S320 F325 L326 L369 Y373 F377 | S320-M322 VanDerWaalsContact C-N 3.31Å; S320-M322 PolarHBondContact O-N 2.92Å; S320-M322 PolarHBondContact OG-N 3.09Å; M322-F325 PolarHBondContact O-N 3.33Å; M322-L326 HydrophobicContact CG-CD1 4.34Å; M322-L326 WeakPolarHBondContact O-CB 3.41Å; M322-L326 WeakPolarHBondContact O-CG 3.34Å; M322-L326 PolarHBondContact O-N 3.16Å; M322-L369 HydrophobicContact CE-CB 4.31Å; M322-L369 HydrophobicContact CE-CD2 4.2Å; M322-Y373 HydrophobicContact CG-CD2 4.35Å; M322-Y373 HydrophobicContact SD-CD2 4.35Å; M322-F377 HydrophobicContact SD-CD2 4.09Å; M322-F377 HydrophobicContact SD-CE2 3.85Å; M322-F377 HydrophobicContact SD-CZ 4.39Å |
| 323 | V | 83.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 174 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | E321 F325 L326 A327 Y373 I385 P386 | E321-V323 PolarHBondContact O-N 3.4Å; V323-F325 VanDerWaalsContact C-N 3.32Å; V323-L326 PolarHBondContact O-N 3.24Å; V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.47Å; V323-A327 PolarHBondContact O-N 2.9Å; V323-Y373 HydrophobicContact CB-CE2 4.46Å; V323-Y373 HydrophobicContact CG2-CD2 4.18Å; V323-Y373 HydrophobicContact CG2-CE1 4.2Å; V323-Y373 HydrophobicContact CG2-CE2 3.16Å; V323-Y373 WeakPolarHBondContact CG2-OH 3.5Å; V323-I385 HydrophobicContact CG1-CG1 4.49Å; V323-P386 HydrophobicContact CG1-CG 4.45Å |
| 324 | F | 86.2 | Confident | 81.9 | Confident | 80 Ų | 80 | 42.9 Ų | 42.9 | 35% | 0.351 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.2 | -39.4 | -178.7 | -62.4 | -61.5 | 0 | 0 | 0 | 110.4 | I217 E321 A327 S328 P386 | I217-F324 HydrophobicContact CG2-CB 3.53Å; E321-F324 HydrophobicContact CB-CD2 4.21Å; E321-F324 HydrophobicContact CG-CD2 4.35Å; E321-F324 PolarHBondContact O-N 3.42Å; F324-A327 PolarHBondContact O-N 3.3Å; F324-S328 PolarHBondContact O-N 3.43Å; F324-S328 PolarHBondContact O-OG 3.36Å; F324-P386 HydrophobicContact CD1-CG 4.39Å; F324-P386 HydrophobicContact CE1-CG 4.26Å |
| 325 | F | 90.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -52.2 | 170.4 | 168.8 | -102.6 | 0 | 0 | 0 | 112.1 | I217 L221 Y275 A278 F279 L282 L304 E321 M322 V323 A327 S328 V329 L369 | I217-F325 HydrophobicContact CG1-CB 4.38Å; I217-F325 HydrophobicContact CG2-CB 4.49Å; L221-F325 HydrophobicContact CD1-CD2 3.95Å; Y275-F325 HydrophobicContact CD1-CB 4.05Å; Y275-F325 AromaticContact CD1-CD1 3.88Å; Y275-F325 HydrophobicContact CD1-CD1 3.88Å; Y275-F325 AromaticContact CD1-CD2 3.67Å; Y275-F325 HydrophobicContact CD1-CD2 3.67Å; Y275-F325 HydrophobicContact CD1-CE1 4.24Å; Y275-F325 HydrophobicContact CD1-CE2 4.06Å; Y275-F325 AromaticContact CD1-CG 3.57Å; Y275-F325 HydrophobicContact CD1-CG 3.57Å; Y275-F325 HydrophobicContact CD1-CZ 4.31Å; Y275-F325 HydrophobicContact CE1-CB 4.25Å; Y275-F325 HydrophobicContact CE1-CD1 4.14Å; Y275-F325 HydrophobicContact CE1-CG 4.07Å; Y275-F325 HydrophobicContact CG-CB 4.32Å; Y275-F325 AromaticContact CG-CD2 3.86Å; Y275-F325 HydrophobicContact CG-CD2 3.86Å; Y275-F325 HydrophobicContact CG-CE2 4.39Å; Y275-F325 HydrophobicContact CG-CG 4.07Å; Y275-F325 WeakPolarHBondContact O-CE2 3.36Å; A278-F325 HydrophobicContact CB-CZ 4.11Å; F279-F325 HydrophobicContact CB-CE2 4.13Å; F279-F325 HydrophobicContact CD2-CE2 4.16Å; L282-F325 HydrophobicContact CD1-CE1 4.2Å; L282-F325 HydrophobicContact CD1-CZ 3.73Å; L304-F325 HydrophobicContact CD1-CE1 3.77Å; L304-F325 HydrophobicContact CD1-CZ 3.85Å; E321-F325 PolarHBondContact O-N 2.97Å; M322-F325 PolarHBondContact O-N 3.33Å; V323-F325 VanDerWaalsContact C-N 3.32Å; F325-A327 VanDerWaalsContact C-N 3.33Å; F325-A327 PolarHBondContact O-N 3.36Å; F325-S328 WeakPolarHBondContact O-CB 3.45Å; F325-S328 PolarHBondContact O-N 2.94Å; F325-V329 HydrophobicContact CE1-CG2 4.07Å; F325-V329 HydrophobicContact CE2-CG2 4.1Å; F325-V329 HydrophobicContact CZ-CG2 3.86Å; F325-V329 WeakPolarHBondContact O-CG2 3.3Å; F325-V329 PolarHBondContact O-N 3.17Å; F325-L369 HydrophobicContact CE1-CD1 4.31Å |
| 326 | L | 86.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 177.6 | -70.6 | 173.2 | 0 | 0 | 0 | 110.8 | M322 V323 S328 V329 F330 L369 L370 Y373 F389 | M322-L326 HydrophobicContact CG-CD1 4.34Å; M322-L326 WeakPolarHBondContact O-CB 3.41Å; M322-L326 WeakPolarHBondContact O-CG 3.34Å; M322-L326 PolarHBondContact O-N 3.16Å; V323-L326 PolarHBondContact O-N 3.24Å; L326-S328 VanDerWaalsContact C-N 3.27Å; L326-S328 PolarHBondContact O-N 3.4Å; L326-V329 WeakPolarHBondContact O-CB 3.49Å; L326-V329 PolarHBondContact O-N 3.32Å; L326-F330 HydrophobicContact CD2-CE2 4.27Å; L326-F330 VanDerWaalsContact O-CD2 3.22Å; L326-F330 WeakPolarHBondContact O-CD2 3.5Å; L326-F330 PolarHBondContact O-N 3.49Å; L326-L369 HydrophobicContact CD2-CB 4.09Å; L326-L370 HydrophobicContact CD1-CD1 4.37Å; L326-Y373 HydrophobicContact CD1-CD1 4.11Å; L326-Y373 HydrophobicContact CD1-CD2 4.31Å; L326-Y373 HydrophobicContact CD1-CG 3.73Å; L326-F389 HydrophobicContact CB-CE2 3.75Å; L326-F389 HydrophobicContact CB-CZ 3.93Å |
| 327 | A | 85.2 | Confident | 79.1 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V323 F324 F325 F330 S331 P386 F389 | V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.47Å; V323-A327 PolarHBondContact O-N 2.9Å; F324-A327 PolarHBondContact O-N 3.3Å; F325-A327 VanDerWaalsContact C-N 3.33Å; F325-A327 PolarHBondContact O-N 3.36Å; A327-F330 PolarHBondContact O-N 2.78Å; A327-S331 WeakPolarHBondContact O-CA 3.24Å; A327-S331 WeakPolarHBondContact O-CB 3.39Å; A327-S331 PolarHBondContact O-N 2.92Å; A327-P386 HydrophobicContact CB-CG 4.48Å; A327-F389 HydrophobicContact CB-CB 4.18Å; A327-F389 HydrophobicContact CB-CD2 4.07Å; A327-F389 HydrophobicContact CB-CG 4.39Å |
| 328 | S | 86.9 | Confident | 78.1 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 173.7 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | F324 F325 L326 F330 S331 | F324-S328 PolarHBondContact O-N 3.43Å; F324-S328 PolarHBondContact O-OG 3.36Å; F325-S328 WeakPolarHBondContact O-CB 3.45Å; F325-S328 PolarHBondContact O-N 2.94Å; L326-S328 VanDerWaalsContact C-N 3.27Å; L326-S328 PolarHBondContact O-N 3.4Å; S328-F330 VanDerWaalsContact C-N 3.31Å; S328-F330 PolarHBondContact O-N 3.4Å; S328-S331 PolarHBondContact O-N 3.42Å; S328-S331 PolarHBondContact O-OG 3.35Å |
| 329 | V | 85.5 | Confident | 76.9 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 111 | F279 L282 F325 L326 A366 | F279-V329 HydrophobicContact CD2-CG2 3.73Å; F279-V329 HydrophobicContact CE2-CB 4.49Å; F279-V329 HydrophobicContact CE2-CG2 3.9Å; L282-V329 HydrophobicContact CB-CG1 4.12Å; L282-V329 HydrophobicContact CB-CG2 4.15Å; L282-V329 HydrophobicContact CD1-CG2 4.41Å; F325-V329 HydrophobicContact CE1-CG2 4.07Å; F325-V329 HydrophobicContact CE2-CG2 4.1Å; F325-V329 HydrophobicContact CZ-CG2 3.86Å; F325-V329 WeakPolarHBondContact O-CG2 3.3Å; F325-V329 PolarHBondContact O-N 3.17Å; L326-V329 WeakPolarHBondContact O-CB 3.49Å; L326-V329 PolarHBondContact O-N 3.32Å; V329-A366 HydrophobicContact CG1-CB 4.25Å |
| 330 | F | 82 | Confident | 75.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -89.4 | -3.7 | -176.4 | -70.7 | -86.7 | 0 | 0 | 0 | 113.7 | L284 L326 A327 S328 D332 L333 F363 A366 L367 F389 N392 C396 | L284-F330 HydrophobicContact CD1-CD1 4.4Å; L284-F330 HydrophobicContact CD1-CE1 4.46Å; L326-F330 HydrophobicContact CD2-CE2 4.27Å; L326-F330 VanDerWaalsContact O-CD2 3.22Å; L326-F330 WeakPolarHBondContact O-CD2 3.5Å; L326-F330 PolarHBondContact O-N 3.49Å; A327-F330 PolarHBondContact O-N 2.78Å; S328-F330 VanDerWaalsContact C-N 3.31Å; S328-F330 PolarHBondContact O-N 3.4Å; F330-D332 PolarHBondContact O-N 3.41Å; F330-L333 HydrophobicContact CB-CD1 4.02Å; F330-L333 HydrophobicContact CD1-CD1 3.35Å; F330-L333 HydrophobicContact CE1-CD1 4.22Å; F330-L333 HydrophobicContact CG-CD1 4.11Å; F330-L333 PolarHBondContact O-N 2.84Å; F330-F363 HydrophobicContact CE1-CE2 4.06Å; F330-A366 HydrophobicContact CE2-CB 4.44Å; F330-A366 HydrophobicContact CZ-CB 3.96Å; F330-L367 HydrophobicContact CZ-CD2 4.48Å; F330-F389 AromaticContact CD2-CE2 3.87Å; F330-F389 HydrophobicContact CD2-CE2 3.87Å; F330-F389 HydrophobicContact CG-CE2 4.47Å; F330-N392 HydrophobicContact CB-CB 4.01Å; F330-N392 VanDerWaalsContact O-CG 3.24Å; F330-N392 PolarHBondContact O-ND2 2.9Å; F330-N392 VanDerWaalsContact O-ND2 3.08Å; F330-C396 VanDerWaalsContact CD1-SG 3.57Å |
| 331 | S | 81.9 | Confident | 74.2 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.4 | -169.8 | 65.3 | 0 | 0 | 0 | 0 | 114.8 | A327 S328 | A327-S331 WeakPolarHBondContact O-CA 3.24Å; A327-S331 WeakPolarHBondContact O-CB 3.39Å; A327-S331 PolarHBondContact O-N 2.92Å; S328-S331 PolarHBondContact O-N 3.42Å; S328-S331 PolarHBondContact O-OG 3.35Å |
| 332 | D | 71 | Confident | 72.3 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.2 | -174 | -80.8 | -38 | 0 | 0 | 0 | 114.4 | T285 F330 Q334 R335 | T285-D332 HydrophobicContact CG2-CB 3.72Å; T285-D332 WeakPolarHBondContact CG2-O 3.1Å; T285-D332 WeakPolarHBondContact OG1-CB 3.44Å; F330-D332 PolarHBondContact O-N 3.41Å; D332-Q334 VanDerWaalsContact C-N 3.32Å; D332-Q334 PolarHBondContact O-N 2.89Å; D332-R335 PolarHBondContact O-N 3.19Å; D332-R335 VanDerWaalsContact O-N 3.09Å; D332-R335 IonicContact OD1-CZ 2.67Å; D332-R335 IonicContact OD1-NH1 3.68Å; D332-R335 PolarHBondContact OD1-NH1 3.07Å |
| 333 | L | 70.8 | Confident | 70.6 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -60.7 | -35.3 | -174.6 | -106.4 | 135.5 | 0 | 0 | 0 | 114.6 | L284 F330 R335 A336 L340 V395 C396 K399 | L284-L333 HydrophobicContact CD1-CD1 3.5Å; L284-L333 VanDerWaalsContact CD1-CD1 3.5Å; L284-L333 HydrophobicContact CD1-CG 4.07Å; F330-L333 HydrophobicContact CB-CD1 4.02Å; F330-L333 HydrophobicContact CD1-CD1 3.35Å; F330-L333 HydrophobicContact CE1-CD1 4.22Å; F330-L333 HydrophobicContact CG-CD1 4.11Å; F330-L333 PolarHBondContact O-N 2.84Å; L333-R335 PolarHBondContact O-N 3.33Å; L333-A336 PolarHBondContact O-N 3.4Å; L333-L340 HydrophobicContact CD2-CD1 3.44Å; L333-L340 VanDerWaalsContact CD2-CD1 3.44Å; L333-L340 HydrophobicContact CD2-CD2 4.36Å; L333-L340 HydrophobicContact CD2-CG 4.07Å; L333-V395 HydrophobicContact CB-CG1 4.42Å; L333-C396 WeakPolarHBondContact CD1-SG 3.47Å; L333-K399 PolarHBondContact O-NZ 3.42Å |
| 334 | Q | 69.7 | Low | 69 | Low | 113 Ų | 113 | 44.8 Ų | 44.8 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.7 | -39.6 | 176.9 | -87.5 | -172.7 | -27.4 | 0 | 0 | 111.7 | D332 A336 H391 V395 K399 | D332-Q334 VanDerWaalsContact C-N 3.32Å; D332-Q334 PolarHBondContact O-N 2.89Å; Q334-A336 VanDerWaalsContact C-N 3.32Å; Q334-A336 PolarHBondContact O-N 2.9Å; Q334-H391 PolarHBondContact NE2-CD2 3.16Å; Q334-H391 PolarHBondContact NE2-NE2 2.97Å; Q334-V395 HydrophobicContact CG-CG2 4.01Å; Q334-K399 PolarHBondContact O-NZ 3.34Å |
| 335 | R | 67.9 | Low | 67.2 | Low | 201 Ų | 201 | 43.4 Ų | 43.4 | 76% | 0.758 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -77.4 | -13.8 | -174.7 | -63 | -176.7 | -173.3 | 131.4 | -3.4 | 113.9 | D332 L333 P337 | D332-R335 PolarHBondContact O-N 3.19Å; D332-R335 VanDerWaalsContact O-N 3.09Å; D332-R335 IonicContact OD1-CZ 2.67Å; D332-R335 IonicContact OD1-NH1 3.68Å; D332-R335 PolarHBondContact OD1-NH1 3.07Å; L333-R335 PolarHBondContact O-N 3.33Å; R335-P337 VanDerWaalsContact O-CD 3.26Å; R335-P337 WeakPolarHBondContact O-CD 3.36Å |
| 336 | A | 62.3 | Low | 65.1 | Low | 13 Ų | 13 | 46.4 Ų | 46.4 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | trans | -69 | 115.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T285 L333 Q334 Q338 L343 K399 | T285-A336 HydrophobicContact CG2-CB 4.12Å; L333-A336 PolarHBondContact O-N 3.4Å; Q334-A336 VanDerWaalsContact C-N 3.32Å; Q334-A336 PolarHBondContact O-N 2.9Å; A336-Q338 VanDerWaalsContact C-N 3.31Å; A336-Q338 PolarHBondContact O-N 3.2Å; A336-L343 HydrophobicContact CB-CD1 4.29Å; A336-K399 PolarHBondContact O-NZ 3.01Å | ||
| 337 | P | 50.1 | Low | 63.1 | Low | 129 Ų | 129 | 48.2 Ų | 48.2 | 84% | 0.838 | 26% | 0.262 | S | S | * | . | trans | -78.5 | -13.6 | -173.4 | 29.9 | -33.1 | 0 | 0 | 0 | 113.7 | R335 | R335-P337 VanDerWaalsContact O-CD 3.26Å; R335-P337 WeakPolarHBondContact O-CD 3.36Å | ||
| 338 | Q | 57.4 | Low | 61.2 | Low | 98 Ų | 98 | 51.6 Ų | 51.6 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -107.9 | 156.7 | -177.4 | -64.3 | -178.5 | -12.6 | 0 | 0 | 110.4 | A336 V342 | A336-Q338 VanDerWaalsContact C-N 3.31Å; A336-Q338 PolarHBondContact O-N 3.2Å; Q338-V342 HydrophobicContact CB-CB 4.1Å; Q338-V342 HydrophobicContact CB-CG1 4.1Å; Q338-V342 HydrophobicContact CG-CG1 4.35Å |
| 339 | S | 54.1 | Low | 59.2 | Low | 29 Ų | 29 | 56.2 Ų | 56.2 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -57.2 | 148 | 170.4 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | D341 V342 L343 | S339-D341 PolarHBondContact O-N 2.86Å; S339-D341 VanDerWaalsContact O-N 3.11Å; S339-V342 PolarHBondContact O-N 3.15Å; S339-V342 WeakPolarHBondContact OG-CG2 3.5Å; S339-V342 PolarHBondContact OG-N 2.74Å; S339-L343 PolarHBondContact O-N 3.4Å | ||
| 340 | L | 58.4 | Low | 57.3 | Low | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.4 | -32.7 | 177.8 | -98.7 | 138.4 | 0 | 0 | 0 | 111.7 | L333 L343 Q344 F363 K399 | L333-L340 HydrophobicContact CD2-CD1 3.44Å; L333-L340 VanDerWaalsContact CD2-CD1 3.44Å; L333-L340 HydrophobicContact CD2-CD2 4.36Å; L333-L340 HydrophobicContact CD2-CG 4.07Å; L340-L343 WeakPolarHBondContact O-CB 3.42Å; L340-L343 PolarHBondContact O-N 3.17Å; L340-Q344 PolarHBondContact O-N 3.39Å; L340-Q344 VanDerWaalsContact O-N 3.13Å; L340-F363 HydrophobicContact CD1-CE1 4.25Å; L340-F363 HydrophobicContact CD1-CE2 4.17Å; L340-F363 HydrophobicContact CD1-CZ 3.79Å; L340-F363 HydrophobicContact CD2-CD1 3.98Å; L340-F363 HydrophobicContact CD2-CD2 3.45Å; L340-F363 VanDerWaalsContact CD2-CD2 3.45Å; L340-F363 HydrophobicContact CD2-CE1 3.93Å; L340-F363 HydrophobicContact CD2-CE2 3.43Å; L340-F363 VanDerWaalsContact CD2-CE2 3.43Å; L340-F363 HydrophobicContact CD2-CG 3.75Å; L340-F363 HydrophobicContact CD2-CZ 3.69Å; L340-F363 HydrophobicContact CG-CE2 4.44Å; L340-F363 HydrophobicContact CG-CZ 4.33Å; L340-K399 HydrophobicContact CD1-CB 3.99Å |
| 341 | D | 53.1 | Low | 55.5 | Low | 14 Ų | 14 | 63.4 Ų | 63.4 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.7 | -30.1 | -179.6 | -53.5 | -28.3 | 0 | 0 | 0 | 112.3 | S339 Q344 S345 Q401 H402 | S339-D341 PolarHBondContact O-N 2.86Å; S339-D341 VanDerWaalsContact O-N 3.11Å; D341-Q344 WeakPolarHBondContact O-CB 3.46Å; D341-Q344 PolarHBondContact O-N 3.13Å; D341-Q344 PolarHBondContact OD1-OE1 3.42Å; D341-S345 WeakPolarHBondContact O-CB 3.42Å; D341-S345 PolarHBondContact O-N 2.85Å; D341-Q401 WeakPolarHBondContact OD2-CA 3.36Å; D341-Q401 WeakPolarHBondContact OD2-CB 3.35Å; D341-Q401 PolarHBondContact OD2-N 2.94Å; D341-H402 IonicContact OD1-CD2 2.66Å; D341-H402 PolarHBondContact OD1-CD2 3.07Å; D341-H402 IonicContact OD1-CG 3.4Å; D341-H402 IonicContact OD2-CD2 2.65Å; D341-H402 PolarHBondContact OD2-N 3.14Å |
| 342 | V | 50 | Low | 53.6 | Low | 53 Ų | 53 | 65.4 Ų | 65.4 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.5 | -39.3 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | Q338 S339 Q344 S345 V346 | Q338-V342 HydrophobicContact CB-CB 4.1Å; Q338-V342 HydrophobicContact CB-CG1 4.1Å; Q338-V342 HydrophobicContact CG-CG1 4.35Å; S339-V342 PolarHBondContact O-N 3.15Å; S339-V342 WeakPolarHBondContact OG-CG2 3.5Å; S339-V342 PolarHBondContact OG-N 2.74Å; V342-Q344 VanDerWaalsContact C-N 3.27Å; V342-Q344 PolarHBondContact O-N 2.96Å; V342-S345 WeakPolarHBondContact CA-OG 3.24Å; V342-S345 PolarHBondContact O-N 2.66Å; V342-S345 PolarHBondContact O-OG 3.21Å; V342-V346 HydrophobicContact CG1-CG2 4.15Å; V342-V346 WeakPolarHBondContact O-CB 3.47Å; V342-V346 VanDerWaalsContact O-CG2 3.27Å; V342-V346 WeakPolarHBondContact O-CG2 3.44Å; V342-V346 PolarHBondContact O-N 3.38Å |
| 343 | L | 49.6 | Very low | 52.2 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 171 | -83.6 | 161.7 | 0 | 0 | 0 | 111.8 | A336 S339 L340 L347 | A336-L343 HydrophobicContact CB-CD1 4.29Å; S339-L343 PolarHBondContact O-N 3.4Å; L340-L343 WeakPolarHBondContact O-CB 3.42Å; L340-L343 PolarHBondContact O-N 3.17Å; L343-L347 PolarHBondContact O-N 2.93Å |
| 344 | Q | 50.7 | Low | 51 | Low | 13 Ų | 13 | 73 Ų | 73 | 6% | 0.061 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 173.8 | -76.4 | 176.5 | -25.9 | 0 | 0 | 112.4 | L340 D341 V342 L347 I348 H402 | L340-Q344 PolarHBondContact O-N 3.39Å; L340-Q344 VanDerWaalsContact O-N 3.13Å; D341-Q344 WeakPolarHBondContact O-CB 3.46Å; D341-Q344 PolarHBondContact O-N 3.13Å; D341-Q344 PolarHBondContact OD1-OE1 3.42Å; V342-Q344 VanDerWaalsContact C-N 3.27Å; V342-Q344 PolarHBondContact O-N 2.96Å; Q344-L347 WeakPolarHBondContact O-CB 3.47Å; Q344-L347 PolarHBondContact O-N 3.33Å; Q344-I348 WeakPolarHBondContact O-CG1 3.32Å; Q344-I348 PolarHBondContact O-N 2.98Å; Q344-H402 PolarHBondContact OE1-CD2 3.09Å |
| 345 | S | 47.9 | Very low | 49.2 | Very low | 51 Ų | 51 | 77.4 Ų | 77.4 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | -178.8 | 72.5 | 0 | 0 | 0 | 0 | 112.7 | D341 V342 L347 I348 T349 | D341-S345 WeakPolarHBondContact O-CB 3.42Å; D341-S345 PolarHBondContact O-N 2.85Å; V342-S345 WeakPolarHBondContact CA-OG 3.24Å; V342-S345 PolarHBondContact O-N 2.66Å; V342-S345 PolarHBondContact O-OG 3.21Å; S345-L347 VanDerWaalsContact C-N 3.3Å; S345-L347 PolarHBondContact O-N 2.65Å; S345-I348 WeakPolarHBondContact O-CB 3.42Å; S345-I348 PolarHBondContact O-N 3.43Å; S345-I348 VanDerWaalsContact O-N 3.08Å; S345-T349 PolarHBondContact O-N 2.96Å; S345-T349 VanDerWaalsContact O-N 3.08Å; S345-T349 PolarHBondContact O-OG1 3.33Å |
| 346 | V | 46.4 | Very low | 47.9 | Very low | 63 Ų | 63 | 71.2 Ų | 71.2 | 38% | 0.382 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V342 I348 T349 I350 | V342-V346 HydrophobicContact CG1-CG2 4.15Å; V342-V346 WeakPolarHBondContact O-CB 3.47Å; V342-V346 VanDerWaalsContact O-CG2 3.27Å; V342-V346 WeakPolarHBondContact O-CG2 3.44Å; V342-V346 PolarHBondContact O-N 3.38Å; V346-I348 VanDerWaalsContact C-N 3.33Å; V346-T349 PolarHBondContact O-N 3.14Å; V346-I350 HydrophobicContact CG1-CD1 3.5Å; V346-I350 VanDerWaalsContact CG1-CD1 3.5Å; V346-I350 HydrophobicContact CG1-CG1 4.33Å; V346-I350 VanDerWaalsContact O-CG1 3.24Å; V346-I350 WeakPolarHBondContact O-CG1 3.44Å; V346-I350 PolarHBondContact O-N 2.96Å; V346-I350 VanDerWaalsContact O-N 3.14Å |
| 347 | L | 44.8 | Very low | 46.8 | Very low | 38 Ų | 38 | 78.5 Ų | 78.5 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 172.3 | -94.5 | 154.2 | 0 | 0 | 0 | 112.5 | L343 Q344 S345 L351 P359 | L343-L347 PolarHBondContact O-N 2.93Å; Q344-L347 WeakPolarHBondContact O-CB 3.47Å; Q344-L347 PolarHBondContact O-N 3.33Å; S345-L347 VanDerWaalsContact C-N 3.3Å; S345-L347 PolarHBondContact O-N 2.65Å; L347-L351 HydrophobicContact CD2-CD1 4.19Å; L347-L351 PolarHBondContact O-N 3.43Å; L347-P359 HydrophobicContact CB-CB 3.87Å; L347-P359 HydrophobicContact CB-CG 4.23Å |
| 348 | I | 45.7 | Very low | 46.4 | Very low | 87 Ų | 87 | 77.4 Ų | 77.4 | 45% | 0.446 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.1 | -64.7 | 167.3 | 0 | 0 | 0 | 110.6 | Q344 S345 V346 P359 | Q344-I348 WeakPolarHBondContact O-CG1 3.32Å; Q344-I348 PolarHBondContact O-N 2.98Å; S345-I348 WeakPolarHBondContact O-CB 3.42Å; S345-I348 PolarHBondContact O-N 3.43Å; S345-I348 VanDerWaalsContact O-N 3.08Å; V346-I348 VanDerWaalsContact C-N 3.33Å; I348-P359 HydrophobicContact CB-CG 4.5Å; I348-P359 HydrophobicContact CG1-CB 4.14Å; I348-P359 HydrophobicContact CG1-CG 3.62Å |
| 349 | T | 44.6 | Very low | 45.7 | Very low | 111 Ų | 111 | 74.2 Ų | 74.2 | 68% | 0.681 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -74.8 | -29.7 | -176.1 | -28.3 | 0 | 0 | 0 | 0 | 113.4 | S345 V346 | S345-T349 PolarHBondContact O-N 2.96Å; S345-T349 VanDerWaalsContact O-N 3.08Å; S345-T349 PolarHBondContact O-OG1 3.33Å; V346-T349 PolarHBondContact O-N 3.14Å |
| 350 | I | 44.8 | Very low | 45.5 | Very low | 112 Ų | 112 | 74.7 Ų | 74.7 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -85.5 | -20.3 | -176.3 | -61.9 | 169.8 | 0 | 0 | 0 | 112.5 | V346 P352 | V346-I350 HydrophobicContact CG1-CD1 3.5Å; V346-I350 VanDerWaalsContact CG1-CD1 3.5Å; V346-I350 HydrophobicContact CG1-CG1 4.33Å; V346-I350 VanDerWaalsContact O-CG1 3.24Å; V346-I350 WeakPolarHBondContact O-CG1 3.44Å; V346-I350 PolarHBondContact O-N 2.96Å; V346-I350 VanDerWaalsContact O-N 3.14Å; I350-P352 WeakPolarHBondContact O-CD 3.41Å |
| 351 | L | 43.8 | Very low | 45.7 | Very low | 46 Ų | 46 | 76 Ų | 76 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | trans | -117.1 | 68 | -178.4 | -80.2 | 153.4 | 0 | 0 | 0 | 112.9 | L347 T353 I354 | L347-L351 HydrophobicContact CD2-CD1 4.19Å; L347-L351 PolarHBondContact O-N 3.43Å; L351-T353 PolarHBondContact O-N 3.44Å; L351-T353 VanDerWaalsContact O-N 3.16Å; L351-I354 HydrophobicContact CB-CD1 4.22Å; L351-I354 HydrophobicContact CB-CG1 4.35Å; L351-I354 HydrophobicContact CD1-CD1 4.22Å; L351-I354 HydrophobicContact CD2-CD1 4.03Å; L351-I354 HydrophobicContact CD2-CG1 4.34Å; L351-I354 HydrophobicContact CG-CD1 4.39Å; L351-I354 PolarHBondContact O-N 3.38Å | ||
| 352 | P | 41.9 | Very low | 46.4 | Very low | 99 Ų | 99 | 77 Ų | 77 | 64% | 0.643 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.7 | 177.5 | 27.3 | -32.8 | 0 | 0 | 0 | 113.6 | I350 | I350-P352 WeakPolarHBondContact O-CD 3.41Š|
| 353 | T | 42.5 | Very low | 47.4 | Very low | 127 Ų | 127 | 74.9 Ų | 74.9 | 78% | 0.779 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.4 | 178.8 | 37.7 | 0 | 0 | 0 | 0 | 114.1 | L351 K355 | L351-T353 PolarHBondContact O-N 3.44Å; L351-T353 VanDerWaalsContact O-N 3.16Å; T353-K355 VanDerWaalsContact C-N 3.31Å; T353-K355 PolarHBondContact O-N 3.37Å |
| 354 | I | 44.3 | Very low | 48.4 | Very low | 69 Ų | 69 | 75.1 Ų | 75.1 | 35% | 0.354 | 41% | 0.413 | S | S | . | . | trans | -96.3 | 61.2 | 173.1 | -48.4 | 179.5 | 0 | 0 | 0 | 108.8 | L351 G356 R357 | L351-I354 HydrophobicContact CB-CD1 4.22Å; L351-I354 HydrophobicContact CB-CG1 4.35Å; L351-I354 HydrophobicContact CD1-CD1 4.22Å; L351-I354 HydrophobicContact CD2-CD1 4.03Å; L351-I354 HydrophobicContact CD2-CG1 4.34Å; L351-I354 HydrophobicContact CG-CD1 4.39Å; L351-I354 PolarHBondContact O-N 3.38Å; I354-G356 VanDerWaalsContact C-N 3.32Å; I354-G356 PolarHBondContact O-N 3.4Å; I354-R357 HydrophobicContact CG2-CB 3.67Å; I354-R357 WeakPolarHBondContact CG2-O 3.3Å | ||
| 355 | K | 33.3 | Very low | 49.6 | Very low | 205 Ų | 205 | 75.5 Ų | 75.5 | 89% | 0.891 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 93.6 | 166.4 | -87.3 | -177.6 | 173.6 | 179.7 | 0 | 108.4 | T353 | T353-K355 VanDerWaalsContact C-N 3.31Å; T353-K355 PolarHBondContact O-N 3.37Å |
| 356 | G | 40 | Very low | 51.1 | Low | 72 Ų | 72 | 73 Ų | 73 | 74% | 0.742 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.1 | 0.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | I354 | I354-G356 VanDerWaalsContact C-N 3.32Å; I354-G356 PolarHBondContact O-N 3.4Å |
| 357 | R | 38.6 | Very low | 52.6 | Low | 165 Ų | 165 | 70.1 Ų | 70.1 | 62% | 0.623 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -126.8 | 99.8 | 172.9 | -63 | -174.7 | -175.1 | 178.9 | 1.7 | 109.1 | D295 I354 | D295-R357 IonicContact OD1-NH1 3.71Å; D295-R357 PolarHBondContact OD1-NH1 3.35Å; I354-R357 HydrophobicContact CG2-CB 3.67Å; I354-R357 WeakPolarHBondContact CG2-O 3.3Å |
| 358 | L | 41.6 | Very low | 54.1 | Low | 106 Ų | 106 | 75.6 Ų | 75.6 | 56% | 0.555 | 40% | 0.398 | S | S | * | . | trans | -65.2 | 134 | -170.2 | -82.8 | 100.5 | 0 | 0 | 0 | 112.1 | N360 S361 | L358-N360 HydrophobicContact CB-CB 3.96Å; L358-N360 HydrophobicContact CD2-CB 4.42Å; L358-N360 VanDerWaalsContact CD2-ND2 3.33Å; L358-N360 WeakPolarHBondContact CD2-ND2 3.4Å; L358-N360 PolarHBondContact O-N 2.69Å; L358-S361 PolarHBondContact O-N 3.24Å; L358-S361 VanDerWaalsContact O-N 3.16Å | ||
| 359 | P | 43.7 | Very low | 55.9 | Low | 32 Ų | 32 | 71.4 Ų | 71.4 | 21% | 0.208 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -12.2 | 164.7 | -26.8 | 36.5 | 0 | 0 | 0 | 115 | L347 I348 S361 | L347-P359 HydrophobicContact CB-CB 3.87Å; L347-P359 HydrophobicContact CB-CG 4.23Å; I348-P359 HydrophobicContact CB-CG 4.5Å; I348-P359 HydrophobicContact CG1-CB 4.14Å; I348-P359 HydrophobicContact CG1-CG 3.62Å; P359-S361 PolarHBondContact O-N 3.3Å; P359-S361 VanDerWaalsContact O-N 3.09Å |
| 360 | N | 49.5 | Very low | 57.6 | Low | 39 Ų | 39 | 66.1 Ų | 66.1 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -21.1 | 170.3 | -69.1 | 4.1 | 0 | 0 | 0 | 113 | L358 R362 Q364 | L358-N360 HydrophobicContact CB-CB 3.96Å; L358-N360 HydrophobicContact CD2-CB 4.42Å; L358-N360 VanDerWaalsContact CD2-ND2 3.33Å; L358-N360 WeakPolarHBondContact CD2-ND2 3.4Å; L358-N360 PolarHBondContact O-N 2.69Å; N360-R362 PolarHBondContact O-N 3.47Å; N360-Q364 VanDerWaalsContact O-CB 3.28Å; N360-Q364 WeakPolarHBondContact O-CB 3.35Å; N360-Q364 VanDerWaalsContact O-CG 3.27Å; N360-Q364 WeakPolarHBondContact O-CG 3.5Å; N360-Q364 PolarHBondContact O-N 3.21Å |
| 361 | S | 62.1 | Low | 59.1 | Low | 38 Ų | 38 | 62.9 Ų | 62.9 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | -172.9 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | L358 P359 N365 | L358-S361 PolarHBondContact O-N 3.24Å; L358-S361 VanDerWaalsContact O-N 3.16Å; P359-S361 PolarHBondContact O-N 3.3Å; P359-S361 VanDerWaalsContact O-N 3.09Å; S361-N365 WeakPolarHBondContact O-CA 3.29Å; S361-N365 WeakPolarHBondContact O-CB 3.32Å; S361-N365 PolarHBondContact O-N 3.17Å; S361-N365 PolarHBondContact O-ND2 3.26Å |
| 362 | R | 69.6 | Low | 60.6 | Low | 35 Ų | 35 | 62 Ų | 62 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.5 | -54 | -170.6 | -63.4 | -179 | -175.6 | -174.8 | 16.3 | 112.9 | G281 L282 N360 N365 A366 | G281-R362 WeakPolarHBondContact O-CD 3.42Å; G281-R362 WeakPolarHBondContact O-CG 3.31Å; L282-R362 WeakPolarHBondContact CD2-O 3.47Å; N360-R362 PolarHBondContact O-N 3.47Å; R362-N365 PolarHBondContact O-N 2.91Å; R362-A366 PolarHBondContact O-N 3Å |
| 363 | F | 69.7 | Low | 62.3 | Low | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -40.6 | -179.9 | -169.6 | -121.6 | 0 | 0 | 0 | 111.4 | L284 F330 L340 N365 A366 L367 C396 T405 | L284-F363 HydrophobicContact CD1-CD2 3.83Å; L284-F363 HydrophobicContact CD1-CE2 3.89Å; L284-F363 HydrophobicContact CD2-CB 4.37Å; L284-F363 HydrophobicContact CD2-CD2 3.77Å; L284-F363 HydrophobicContact CG-CD2 4.46Å; F330-F363 HydrophobicContact CE1-CE2 4.06Å; L340-F363 HydrophobicContact CD1-CE1 4.25Å; L340-F363 HydrophobicContact CD1-CE2 4.17Å; L340-F363 HydrophobicContact CD1-CZ 3.79Å; L340-F363 HydrophobicContact CD2-CD1 3.98Å; L340-F363 HydrophobicContact CD2-CD2 3.45Å; L340-F363 VanDerWaalsContact CD2-CD2 3.45Å; L340-F363 HydrophobicContact CD2-CE1 3.93Å; L340-F363 HydrophobicContact CD2-CE2 3.43Å; L340-F363 VanDerWaalsContact CD2-CE2 3.43Å; L340-F363 HydrophobicContact CD2-CG 3.75Å; L340-F363 HydrophobicContact CD2-CZ 3.69Å; L340-F363 HydrophobicContact CG-CE2 4.44Å; L340-F363 HydrophobicContact CG-CZ 4.33Å; F363-N365 VanDerWaalsContact C-N 3.28Å; F363-N365 PolarHBondContact O-N 3.29Å; F363-A366 WeakPolarHBondContact O-CB 3.22Å; F363-A366 PolarHBondContact O-N 3.3Å; F363-L367 HydrophobicContact CD1-CD1 3.87Å; F363-L367 HydrophobicContact CD1-CG 4.36Å; F363-L367 HydrophobicContact CE1-CD1 3.59Å; F363-L367 HydrophobicContact CE1-CG 4.1Å; F363-L367 HydrophobicContact CE2-CG 4.47Å; F363-L367 HydrophobicContact CZ-CD1 4.08Å; F363-L367 HydrophobicContact CZ-CD2 4.19Å; F363-L367 HydrophobicContact CZ-CG 4.15Å; F363-L367 WeakPolarHBondContact O-CG 3.43Å; F363-L367 PolarHBondContact O-N 3.38Å; F363-C396 HydrophobicContact CZ-CB 4.27Å; F363-T405 HydrophobicContact CD1-CG2 3.5Å; F363-T405 HydrophobicContact CE1-CG2 3.19Å; F363-T405 HydrophobicContact CZ-CG2 4.41Å |
| 364 | Q | 71 | Confident | 63.8 | Low | 63 Ų | 63 | 51.3 Ų | 51.3 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 173.9 | -73 | -177.5 | -20.6 | 0 | 0 | 112 | N360 L367 R368 | N360-Q364 VanDerWaalsContact O-CB 3.28Å; N360-Q364 WeakPolarHBondContact O-CB 3.35Å; N360-Q364 VanDerWaalsContact O-CG 3.27Å; N360-Q364 WeakPolarHBondContact O-CG 3.5Å; N360-Q364 PolarHBondContact O-N 3.21Å; Q364-L367 PolarHBondContact O-N 3.49Å; Q364-R368 WeakPolarHBondContact O-CB 3.17Å; Q364-R368 PolarHBondContact O-N 2.78Å |
| 365 | N | 76.2 | Confident | 65.1 | Low | 20 Ų | 20 | 51.8 Ų | 51.8 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 174.8 | -78 | -22.6 | 0 | 0 | 0 | 111.6 | L282 V301 Q305 S361 R362 F363 L367 R368 L369 | L282-N365 HydrophobicContact CD2-CB 4.13Å; V301-N365 HydrophobicContact CG1-CB 3.75Å; Q305-N365 PolarHBondContact NE2-OD1 2.92Å; S361-N365 WeakPolarHBondContact O-CA 3.29Å; S361-N365 WeakPolarHBondContact O-CB 3.32Å; S361-N365 PolarHBondContact O-N 3.17Å; S361-N365 PolarHBondContact O-ND2 3.26Å; R362-N365 PolarHBondContact O-N 2.91Å; F363-N365 VanDerWaalsContact C-N 3.28Å; F363-N365 PolarHBondContact O-N 3.29Å; N365-L367 VanDerWaalsContact C-N 3.32Å; N365-L367 PolarHBondContact O-N 3.07Å; N365-R368 PolarHBondContact O-N 3.31Å; N365-L369 WeakPolarHBondContact O-CG 3.18Å; N365-L369 PolarHBondContact O-N 2.89Å |
| 366 | A | 80.1 | Confident | 66.8 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L282 V329 F330 R362 F363 L369 L370 | L282-A366 HydrophobicContact CD2-CB 3.98Å; V329-A366 HydrophobicContact CG1-CB 4.25Å; F330-A366 HydrophobicContact CE2-CB 4.44Å; F330-A366 HydrophobicContact CZ-CB 3.96Å; R362-A366 PolarHBondContact O-N 3Å; F363-A366 WeakPolarHBondContact O-CB 3.22Å; F363-A366 PolarHBondContact O-N 3.3Å; A366-L369 PolarHBondContact O-N 3.25Å; A366-L370 WeakPolarHBondContact O-CB 3.4Å; A366-L370 PolarHBondContact O-N 3.37Å |
| 367 | L | 76.5 | Confident | 68.2 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.6 | -37.6 | 176 | -70.6 | 179.1 | 0 | 0 | 0 | 112.7 | F330 F363 Q364 N365 L370 H371 T405 T408 F409 | F330-L367 HydrophobicContact CZ-CD2 4.48Å; F363-L367 HydrophobicContact CD1-CD1 3.87Å; F363-L367 HydrophobicContact CD1-CG 4.36Å; F363-L367 HydrophobicContact CE1-CD1 3.59Å; F363-L367 HydrophobicContact CE1-CG 4.1Å; F363-L367 HydrophobicContact CE2-CG 4.47Å; F363-L367 HydrophobicContact CZ-CD1 4.08Å; F363-L367 HydrophobicContact CZ-CD2 4.19Å; F363-L367 HydrophobicContact CZ-CG 4.15Å; F363-L367 WeakPolarHBondContact O-CG 3.43Å; F363-L367 PolarHBondContact O-N 3.38Å; Q364-L367 PolarHBondContact O-N 3.49Å; N365-L367 VanDerWaalsContact C-N 3.32Å; N365-L367 PolarHBondContact O-N 3.07Å; L367-L370 HydrophobicContact CD2-CD2 4.24Å; L367-L370 CarbonylContact O-C 3.58Å; L367-L370 WeakPolarHBondContact O-CB 3.46Å; L367-L370 PolarHBondContact O-N 2.97Å; L367-H371 WeakPolarHBondContact O-CB 3.35Å; L367-H371 PolarHBondContact O-N 3.49Å; L367-T405 HydrophobicContact CD1-CG2 3.66Å; L367-T408 HydrophobicContact CB-CG2 3.97Å; L367-F409 HydrophobicContact CD2-CD2 4.25Å |
| 368 | R | 77.2 | Confident | 69.8 | Low | 153 Ų | 153 | 32.6 Ų | 32.6 | 58% | 0.577 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -62.8 | -43.2 | 173.2 | -109.3 | 177 | 172.5 | 164.3 | -1.8 | 111.6 | Q364 N365 L370 H371 L372 | Q364-R368 WeakPolarHBondContact O-CB 3.17Å; Q364-R368 PolarHBondContact O-N 2.78Å; N365-R368 PolarHBondContact O-N 3.31Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 2.65Å; R368-H371 WeakPolarHBondContact O-CB 3.13Å; R368-H371 PolarHBondContact O-N 3.36Å; R368-L372 WeakPolarHBondContact O-CD1 3.47Å; R368-L372 VanDerWaalsContact O-CG 3.24Å; R368-L372 WeakPolarHBondContact O-CG 3.21Å; R368-L372 PolarHBondContact O-N 3.25Å |
| 369 | L | 82.7 | Confident | 71 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | 174.9 | -70.8 | 176.2 | 0 | 0 | 0 | 111.4 | L282 V301 L304 Q305 M322 F325 L326 N365 A366 Y373 | L282-L369 HydrophobicContact CD1-CD1 3.82Å; V301-L369 HydrophobicContact CG1-CD1 4.31Å; L304-L369 HydrophobicContact CB-CD1 4.37Å; L304-L369 HydrophobicContact CB-CD2 3.59Å; L304-L369 HydrophobicContact CD1-CD1 4.14Å; Q305-L369 HydrophobicContact CG-CD2 3.73Å; Q305-L369 HydrophobicContact CG-CG 4.46Å; M322-L369 HydrophobicContact CE-CB 4.31Å; M322-L369 HydrophobicContact CE-CD2 4.2Å; F325-L369 HydrophobicContact CE1-CD1 4.31Å; L326-L369 HydrophobicContact CD2-CB 4.09Å; N365-L369 WeakPolarHBondContact O-CG 3.18Å; N365-L369 PolarHBondContact O-N 2.89Å; A366-L369 PolarHBondContact O-N 3.25Å; L369-Y373 WeakPolarHBondContact O-CB 3.38Å; L369-Y373 PolarHBondContact O-N 3.15Å |
| 370 | L | 81 | Confident | 72.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 171.8 | -178 | 70.3 | 0 | 0 | 0 | 111.8 | L326 A366 L367 R368 Y373 A374 F389 | L326-L370 HydrophobicContact CD1-CD1 4.37Å; A366-L370 WeakPolarHBondContact O-CB 3.4Å; A366-L370 PolarHBondContact O-N 3.37Å; L367-L370 HydrophobicContact CD2-CD2 4.24Å; L367-L370 CarbonylContact O-C 3.58Å; L367-L370 WeakPolarHBondContact O-CB 3.46Å; L367-L370 PolarHBondContact O-N 2.97Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 2.65Å; L370-Y373 HydrophobicContact CD1-CD1 4.43Å; L370-Y373 WeakPolarHBondContact O-CB 3.18Å; L370-Y373 PolarHBondContact O-N 2.88Å; L370-A374 WeakPolarHBondContact O-CB 3.18Å; L370-A374 PolarHBondContact O-N 2.85Å; L370-F389 HydrophobicContact CD1-CE1 4.1Å; L370-F389 HydrophobicContact CD1-CE2 4.41Å; L370-F389 HydrophobicContact CD1-CZ 3.46Å; L370-F389 VanDerWaalsContact CD1-CZ 3.46Å |
| 371 | H | 76.6 | Confident | 73.5 | Confident | 43 Ų | 43 | 30.5 Ų | 30.5 | 20% | 0.199 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 176.8 | -172.7 | 72.1 | 0 | 0 | 0 | 111.5 | L367 R368 Y373 A374 N375 C412 | L367-H371 WeakPolarHBondContact O-CB 3.35Å; L367-H371 PolarHBondContact O-N 3.49Å; R368-H371 WeakPolarHBondContact O-CB 3.13Å; R368-H371 PolarHBondContact O-N 3.36Å; H371-Y373 VanDerWaalsContact C-N 3.31Å; H371-Y373 PolarHBondContact O-N 3.01Å; H371-A374 VanDerWaalsContact O-CB 3.31Å; H371-A374 WeakPolarHBondContact O-CB 3.33Å; H371-A374 PolarHBondContact O-N 3.28Å; H371-N375 PolarHBondContact CD2-ND2 3.46Å; H371-N375 VanDerWaalsContact CD2-ND2 3.33Å; H371-N375 PolarHBondContact NE2-ND2 3.04Å; H371-N375 PolarHBondContact O-N 2.99Å; H371-N375 PolarHBondContact O-ND2 3.33Å; H371-C412 WeakPolarHBondContact CA-SG 3.39Å; H371-C412 WeakPolarHBondContact CB-SG 3.36Å; H371-C412 PolarHBondContact N-SG 3.11Å; H371-C412 WeakPolarHBondContact ND1-CA 3.22Å; H371-C412 PolarHBondContact ND1-N 2.98Å |
| 372 | L | 74.5 | Confident | 74.1 | Confident | 29 Ų | 29 | 29 Ų | 29 | 15% | 0.152 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.3 | -35.2 | -180 | -63.3 | 161.2 | 0 | 0 | 0 | 111 | Q305 S308 E309 R368 N375 C376 | Q305-L372 HydrophobicContact CB-CD1 4.07Å; Q305-L372 HydrophobicContact CG-CD1 4.01Å; S308-L372 WeakPolarHBondContact OG-CB 3.46Å; S308-L372 WeakPolarHBondContact OG-CD1 3.4Å; E309-L372 HydrophobicContact CG-CD2 4.33Å; R368-L372 WeakPolarHBondContact O-CD1 3.47Å; R368-L372 VanDerWaalsContact O-CG 3.24Å; R368-L372 WeakPolarHBondContact O-CG 3.21Å; R368-L372 PolarHBondContact O-N 3.25Å; L372-N375 PolarHBondContact O-N 2.91Å; L372-C376 WeakPolarHBondContact O-CB 3.36Å; L372-C376 PolarHBondContact O-N 3.29Å; L372-C376 VanDerWaalsContact O-N 3.09Å |
| 373 | Y | 78.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 170.1 | 168.8 | -98 | 0 | 0 | 0 | 112.1 | M322 V323 L326 L369 L370 H371 N375 C376 F377 Y378 I385 | M322-Y373 HydrophobicContact CG-CD2 4.35Å; M322-Y373 HydrophobicContact SD-CD2 4.35Å; V323-Y373 HydrophobicContact CB-CE2 4.46Å; V323-Y373 HydrophobicContact CG2-CD2 4.18Å; V323-Y373 HydrophobicContact CG2-CE1 4.2Å; V323-Y373 HydrophobicContact CG2-CE2 3.16Å; V323-Y373 WeakPolarHBondContact CG2-OH 3.5Å; L326-Y373 HydrophobicContact CD1-CD1 4.11Å; L326-Y373 HydrophobicContact CD1-CD2 4.31Å; L326-Y373 HydrophobicContact CD1-CG 3.73Å; L369-Y373 WeakPolarHBondContact O-CB 3.38Å; L369-Y373 PolarHBondContact O-N 3.15Å; L370-Y373 HydrophobicContact CD1-CD1 4.43Å; L370-Y373 WeakPolarHBondContact O-CB 3.18Å; L370-Y373 PolarHBondContact O-N 2.88Å; H371-Y373 VanDerWaalsContact C-N 3.31Å; H371-Y373 PolarHBondContact O-N 3.01Å; Y373-N375 VanDerWaalsContact C-N 3.33Å; Y373-N375 PolarHBondContact O-N 2.66Å; Y373-C376 PolarHBondContact O-N 3.37Å; Y373-F377 HydrophobicContact CD2-CB 3.47Å; Y373-F377 VanDerWaalsContact CD2-CB 3.47Å; Y373-F377 HydrophobicContact CD2-CD2 4.17Å; Y373-F377 HydrophobicContact CD2-CG 4.06Å; Y373-F377 HydrophobicContact CE2-CB 3.34Å; Y373-F377 HydrophobicContact CE2-CG 4.29Å; Y373-F377 HydrophobicContact CG-CB 4.45Å; Y373-F377 PolarHBondContact O-N 3.11Å; Y373-Y378 AromaticContact CE1-CD2 3.78Å; Y373-Y378 HydrophobicContact CE1-CD2 3.78Å; Y373-Y378 HydrophobicContact CE1-CG 4.39Å; Y373-Y378 PolarHBondContact O-N 3.34Å; Y373-I385 WeakPolarHBondContact OH-CD1 3.48Å |
| 374 | A | 73 | Confident | 74.3 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -54.4 | -48 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L370 H371 Y378 M416 | L370-A374 WeakPolarHBondContact O-CB 3.18Å; L370-A374 PolarHBondContact O-N 2.85Å; H371-A374 VanDerWaalsContact O-CB 3.31Å; H371-A374 WeakPolarHBondContact O-CB 3.33Å; H371-A374 PolarHBondContact O-N 3.28Å; A374-Y378 WeakPolarHBondContact O-CB 3.41Å; A374-M416 HydrophobicContact CB-CG 3.23Å; A374-M416 HydrophobicContact CB-SD 3.87Å |
| 375 | N | 71.1 | Confident | 74.6 | Confident | 78 Ų | 78 | 35.7 Ų | 35.7 | 42% | 0.417 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -69.7 | -37.6 | -177.4 | -66.5 | -20.4 | 0 | 0 | 0 | 112.9 | H371 L372 Y373 S415 | H371-N375 PolarHBondContact CD2-ND2 3.46Å; H371-N375 VanDerWaalsContact CD2-ND2 3.33Å; H371-N375 PolarHBondContact NE2-ND2 3.04Å; H371-N375 PolarHBondContact O-N 2.99Å; H371-N375 PolarHBondContact O-ND2 3.33Å; L372-N375 PolarHBondContact O-N 2.91Å; Y373-N375 VanDerWaalsContact C-N 3.33Å; Y373-N375 PolarHBondContact O-N 2.66Å; N375-S415 WeakPolarHBondContact OD1-CB 3.38Å; N375-S415 PolarHBondContact OD1-OG 3.29Å |
| 376 | C | 69.3 | Low | 74.5 | Confident | 40 Ų | 40 | 36.8 Ų | 36.8 | 27% | 0.27 | 19% | 0.186 | S | C | . | . | I | π-helix | trans | -106.6 | -30.4 | -165.9 | -69 | 0 | 0 | 0 | 0 | 115.1 | S308 L372 Y373 | S308-C376 PolarHBondContact O-SG 3.01Å; L372-C376 WeakPolarHBondContact O-CB 3.36Å; L372-C376 PolarHBondContact O-N 3.29Å; L372-C376 VanDerWaalsContact O-N 3.09Å; Y373-C376 PolarHBondContact O-N 3.37Å |
| 377 | F | 70.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -120.2 | -35.4 | -168.9 | -62.5 | -92.3 | 0 | 0 | 0 | 112.8 | L307 W312 V317 M322 Y373 A379 K380 Q381 | L307-F377 HydrophobicContact CD2-CZ 4.12Å; W312-F377 AromaticContact CD1-CZ 3.8Å; W312-F377 AromaticContact CD2-CE1 3.65Å; W312-F377 HydrophobicContact CD2-CE1 3.65Å; W312-F377 AromaticContact CD2-CZ 3.78Å; W312-F377 HydrophobicContact CD2-CZ 3.78Å; W312-F377 AromaticContact CE2-CZ 3.71Å; W312-F377 AromaticContact CE3-CE1 3.81Å; W312-F377 HydrophobicContact CE3-CE1 3.81Å; W312-F377 HydrophobicContact CE3-CZ 4.34Å; W312-F377 AromaticContact CG-CE1 3.91Å; W312-F377 HydrophobicContact CG-CE1 3.91Å; W312-F377 AromaticContact CG-CZ 3.96Å; W312-F377 HydrophobicContact CG-CZ 3.96Å; W312-F377 HydrophobicContact CZ2-CZ 4.34Å; W312-F377 HydrophobicContact CZ3-CE1 4.37Å; W312-F377 AromaticContact NE1-CZ 3.65Å; V317-F377 HydrophobicContact CB-CD1 4.29Å; V317-F377 HydrophobicContact CG1-CB 4.5Å; V317-F377 HydrophobicContact CG1-CD1 3.92Å; V317-F377 HydrophobicContact CG2-CD1 3.91Å; V317-F377 HydrophobicContact CG2-CE1 4.15Å; M322-F377 HydrophobicContact SD-CD2 4.09Å; M322-F377 HydrophobicContact SD-CE2 3.85Å; M322-F377 HydrophobicContact SD-CZ 4.39Å; Y373-F377 HydrophobicContact CD2-CB 3.47Å; Y373-F377 VanDerWaalsContact CD2-CB 3.47Å; Y373-F377 HydrophobicContact CD2-CD2 4.17Å; Y373-F377 HydrophobicContact CD2-CG 4.06Å; Y373-F377 HydrophobicContact CE2-CB 3.34Å; Y373-F377 HydrophobicContact CE2-CG 4.29Å; Y373-F377 HydrophobicContact CG-CB 4.45Å; Y373-F377 PolarHBondContact O-N 3.11Å; F377-A379 PolarHBondContact O-N 3.32Å; F377-K380 PolarHBondContact O-N 3.02Å; F377-K380 VanDerWaalsContact O-N 3.12Å; F377-Q381 PolarHBondContact O-N 3Å |
| 378 | Y | 71.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -54.5 | -54.3 | -171.5 | -176.7 | -102.7 | 0 | 0 | 0 | 112.7 | Y373 A374 K380 Q381 V382 I385 M416 A419 V420 L439 | Y373-Y378 AromaticContact CE1-CD2 3.78Å; Y373-Y378 HydrophobicContact CE1-CD2 3.78Å; Y373-Y378 HydrophobicContact CE1-CG 4.39Å; Y373-Y378 PolarHBondContact O-N 3.34Å; A374-Y378 WeakPolarHBondContact O-CB 3.41Å; Y378-K380 PolarHBondContact O-N 3.49Å; Y378-Q381 CarbonylContact O-C 3.52Å; Y378-Q381 PolarHBondContact O-N 3.44Å; Y378-V382 HydrophobicContact CD1-CG2 3.88Å; Y378-V382 HydrophobicContact CE1-CG1 4.47Å; Y378-V382 HydrophobicContact CE1-CG2 3.8Å; Y378-V382 HydrophobicContact CG-CG2 4.32Å; Y378-V382 WeakPolarHBondContact O-CG2 3.42Å; Y378-V382 PolarHBondContact O-N 3.12Å; Y378-I385 HydrophobicContact CD2-CD1 3.14Å; Y378-I385 HydrophobicContact CE2-CD1 2.97Å; Y378-I385 HydrophobicContact CE2-CG1 4.47Å; Y378-I385 HydrophobicContact CG-CD1 4.3Å; Y378-M416 HydrophobicContact CD1-CB 3.77Å; Y378-M416 HydrophobicContact CD1-CE 4.45Å; Y378-M416 HydrophobicContact CD1-CG 3.96Å; Y378-M416 HydrophobicContact CD2-CE 3.34Å; Y378-M416 HydrophobicContact CD2-CG 4.29Å; Y378-M416 HydrophobicContact CE1-CB 3.65Å; Y378-M416 HydrophobicContact CE1-CE 4.26Å; Y378-M416 HydrophobicContact CE1-CG 4.19Å; Y378-M416 WeakPolarHBondContact CE1-O 3.46Å; Y378-M416 HydrophobicContact CE2-CE 3.09Å; Y378-M416 HydrophobicContact CG-CB 4.33Å; Y378-M416 HydrophobicContact CG-CE 4.03Å; Y378-M416 HydrophobicContact CG-CG 4.01Å; Y378-A419 HydrophobicContact CD1-CB 4.41Å; Y378-V420 HydrophobicContact CE1-CG2 3.5Å; Y378-L439 WeakPolarHBondContact OH-CD2 3.25Å |
| 379 | A | 66.3 | Low | 74.5 | Confident | 40 Ų | 40 | 35.5 Ų | 35.5 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -49 | -35.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F377 A419 R423 | F377-A379 PolarHBondContact O-N 3.32Å; A379-A419 HydrophobicContact CB-CB 3.64Å; A379-R423 PolarHBondContact O-NH1 3.24Å |
| 380 | K | 71.7 | Confident | 74.4 | Confident | 85 Ų | 85 | 35.8 Ų | 35.8 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -86.3 | -32.2 | -178.5 | -68.4 | 170 | 178.5 | 169.8 | 0 | 112.3 | W312 L314 V317 F377 Y378 | W312-K380 PolarHBondContact O-NZ 3.17Å; L314-K380 HydrophobicContact CD1-CB 4.27Å; L314-K380 HydrophobicContact CD1-CD 4.05Å; L314-K380 HydrophobicContact CD1-CG 4.05Å; V317-K380 HydrophobicContact CB-CD 4.09Å; V317-K380 HydrophobicContact CG1-CB 3.72Å; V317-K380 HydrophobicContact CG1-CD 3.96Å; V317-K380 HydrophobicContact CG2-CD 3.84Å; F377-K380 PolarHBondContact O-N 3.02Å; F377-K380 VanDerWaalsContact O-N 3.12Å; Y378-K380 PolarHBondContact O-N 3.49Å |
| 381 | Q | 75 | Confident | 74.3 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -104.9 | 6.1 | -174.7 | -69.5 | -168 | -25.8 | 0 | 0 | 115.5 | V317 S320 F377 Y378 E383 N384 | V317-Q381 HydrophobicContact CG1-CG 3.7Å; V317-Q381 PolarHBondContact O-NE2 3.33Å; S320-Q381 PolarHBondContact O-NE2 3.17Å; S320-Q381 VanDerWaalsContact O-NE2 3.09Å; F377-Q381 PolarHBondContact O-N 3Å; Y378-Q381 CarbonylContact O-C 3.52Å; Y378-Q381 PolarHBondContact O-N 3.44Å; Q381-E383 PolarHBondContact O-N 3.27Å; Q381-N384 WeakPolarHBondContact O-CB 3.29Å; Q381-N384 PolarHBondContact O-N 3.38Å |
| 382 | V | 73.6 | Confident | 74.5 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -46 | -42.1 | -173.1 | -173.3 | 0 | 0 | 0 | 0 | 113.6 | Y378 N384 I385 V420 | Y378-V382 HydrophobicContact CD1-CG2 3.88Å; Y378-V382 HydrophobicContact CE1-CG1 4.47Å; Y378-V382 HydrophobicContact CE1-CG2 3.8Å; Y378-V382 HydrophobicContact CG-CG2 4.32Å; Y378-V382 WeakPolarHBondContact O-CG2 3.42Å; Y378-V382 PolarHBondContact O-N 3.12Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 3.32Å; V382-I385 WeakPolarHBondContact O-CB 3.25Å; V382-I385 WeakPolarHBondContact O-CG1 3.41Å; V382-I385 PolarHBondContact O-N 2.88Å; V382-V420 HydrophobicContact CG1-CG2 4.23Å; V382-V420 HydrophobicContact CG2-CG2 4.25Å |
| 383 | E | 71.8 | Confident | 74.7 | Confident | 131 Ų | 131 | 37.1 Ų | 37.1 | 61% | 0.612 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -67.3 | -22.9 | -178.7 | -67 | 169.4 | -163.4 | 0 | 0 | 113.9 | Q381 R423 Y438 | Q381-E383 PolarHBondContact O-N 3.27Å; E383-R423 IonicContact OE1-CZ 2.75Å; E383-R423 IonicContact OE1-NH2 2.66Å; E383-R423 PolarHBondContact OE1-NH2 3.43Å; E383-R423 IonicContact OE2-NH2 3.03Å; E383-Y438 HydrophobicContact CG-CD1 4.39Å |
| 384 | N | 73.2 | Confident | 74.8 | Confident | 95 Ų | 95 | 38 Ų | 38 | 51% | 0.508 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -93.4 | 4.3 | -178.1 | -65 | -27.1 | 0 | 0 | 0 | 112.9 | Q381 V382 P386 | Q381-N384 WeakPolarHBondContact O-CB 3.29Å; Q381-N384 PolarHBondContact O-N 3.38Å; V382-N384 VanDerWaalsContact C-N 3.26Å; V382-N384 PolarHBondContact O-N 3.32Å; N384-P386 WeakPolarHBondContact O-CD 3.23Å |
| 385 | I | 75.8 | Confident | 75.2 | Confident | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | trans | -80.9 | 123.2 | -173 | -61.6 | 179.3 | 0 | 0 | 0 | 110 | V323 Y373 Y378 V382 S387 F389 L390 | V323-I385 HydrophobicContact CG1-CG1 4.49Å; Y373-I385 WeakPolarHBondContact OH-CD1 3.48Å; Y378-I385 HydrophobicContact CD2-CD1 3.14Å; Y378-I385 HydrophobicContact CE2-CD1 2.97Å; Y378-I385 HydrophobicContact CE2-CG1 4.47Å; Y378-I385 HydrophobicContact CG-CD1 4.3Å; V382-I385 WeakPolarHBondContact O-CB 3.25Å; V382-I385 WeakPolarHBondContact O-CG1 3.41Å; V382-I385 PolarHBondContact O-N 2.88Å; I385-S387 PolarHBondContact O-N 2.84Å; I385-F389 HydrophobicContact CG2-CB 4.41Å; I385-F389 HydrophobicContact CG2-CD1 3.69Å; I385-L390 HydrophobicContact CG2-CD1 4.4Å; I385-L390 HydrophobicContact CG2-CD2 4.01Å; I385-L390 HydrophobicContact CG2-CG 3.97Å | ||
| 386 | P | 75.2 | Confident | 75.5 | Confident | 43 Ų | 43 | 35.4 Ų | 35.4 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | trans | -61.4 | 133 | 177.2 | -20.5 | 31.5 | 0 | 0 | 0 | 110.9 | V323 F324 A327 N384 G388 F389 L390 | V323-P386 HydrophobicContact CG1-CG 4.45Å; F324-P386 HydrophobicContact CD1-CG 4.39Å; F324-P386 HydrophobicContact CE1-CG 4.26Å; A327-P386 HydrophobicContact CB-CG 4.48Å; N384-P386 WeakPolarHBondContact O-CD 3.23Å; P386-G388 PolarHBondContact O-N 2.8Å; P386-F389 HydrophobicContact CB-CB 4.35Å; P386-F389 VanDerWaalsContact O-CB 3.26Å; P386-F389 WeakPolarHBondContact O-CB 3.48Å; P386-F389 PolarHBondContact O-N 3.46Å; P386-L390 PolarHBondContact O-N 3.43Å | ||
| 387 | S | 75.3 | Confident | 76 | Confident | 87 Ų | 87 | 33.5 Ų | 33.5 | 61% | 0.608 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -56.5 | -35.9 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | I385 F389 L390 H391 | I385-S387 PolarHBondContact O-N 2.84Å; S387-F389 VanDerWaalsContact C-N 3.25Å; S387-F389 PolarHBondContact O-N 2.85Å; S387-L390 PolarHBondContact O-N 3.34Å; S387-H391 PolarHBondContact O-N 3.4Å |
| 388 | G | 77.1 | Confident | 76.4 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.3 | -32 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P386 H391 N392 | P386-G388 PolarHBondContact O-N 2.8Å; G388-H391 PolarHBondContact O-N 2.75Å; G388-N392 PolarHBondContact O-N 3.47Å; G388-N392 PolarHBondContact O-ND2 3.12Å |
| 389 | F | 80.6 | Confident | 76.6 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.7 | -46.2 | 175.9 | 178 | -116.5 | 0 | 0 | 0 | 111.5 | L326 A327 F330 L370 I385 P386 S387 H391 N392 Q393 | L326-F389 HydrophobicContact CB-CE2 3.75Å; L326-F389 HydrophobicContact CB-CZ 3.93Å; A327-F389 HydrophobicContact CB-CB 4.18Å; A327-F389 HydrophobicContact CB-CD2 4.07Å; A327-F389 HydrophobicContact CB-CG 4.39Å; F330-F389 AromaticContact CD2-CE2 3.87Å; F330-F389 HydrophobicContact CD2-CE2 3.87Å; F330-F389 HydrophobicContact CG-CE2 4.47Å; L370-F389 HydrophobicContact CD1-CE1 4.1Å; L370-F389 HydrophobicContact CD1-CE2 4.41Å; L370-F389 HydrophobicContact CD1-CZ 3.46Å; L370-F389 VanDerWaalsContact CD1-CZ 3.46Å; I385-F389 HydrophobicContact CG2-CB 4.41Å; I385-F389 HydrophobicContact CG2-CD1 3.69Å; P386-F389 HydrophobicContact CB-CB 4.35Å; P386-F389 VanDerWaalsContact O-CB 3.26Å; P386-F389 WeakPolarHBondContact O-CB 3.48Å; P386-F389 PolarHBondContact O-N 3.46Å; S387-F389 VanDerWaalsContact C-N 3.25Å; S387-F389 PolarHBondContact O-N 2.85Å; F389-H391 VanDerWaalsContact C-N 3.3Å; F389-H391 PolarHBondContact O-N 2.69Å; F389-N392 PolarHBondContact O-N 3.03Å; F389-N392 VanDerWaalsContact O-N 3.16Å; F389-Q393 WeakPolarHBondContact O-CG 3.48Å; F389-Q393 PolarHBondContact O-N 3.29Å; F389-Q393 VanDerWaalsContact O-N 3.08Å |
| 390 | L | 80.1 | Confident | 77 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 177.7 | -60.4 | 171 | 0 | 0 | 0 | 111 | I385 P386 S387 N392 Q393 L394 W413 P440 F443 | I385-L390 HydrophobicContact CG2-CD1 4.4Å; I385-L390 HydrophobicContact CG2-CD2 4.01Å; I385-L390 HydrophobicContact CG2-CG 3.97Å; P386-L390 PolarHBondContact O-N 3.43Å; S387-L390 PolarHBondContact O-N 3.34Å; L390-N392 PolarHBondContact O-N 3.45Å; L390-Q393 WeakPolarHBondContact O-CB 3.46Å; L390-Q393 PolarHBondContact O-N 3.45Å; L390-L394 PolarHBondContact O-N 3.21Å; L390-W413 HydrophobicContact CD2-CH2 3.7Å; L390-W413 HydrophobicContact CD2-CZ2 4.36Å; L390-P440 HydrophobicContact CD1-CG 3.46Å; L390-P440 VanDerWaalsContact CD1-CG 3.46Å; L390-F443 HydrophobicContact CB-CD2 4Å; L390-F443 HydrophobicContact CB-CE2 3.72Å; L390-F443 HydrophobicContact CB-CZ 4.36Å |
| 391 | H | 80.8 | Confident | 77 | Confident | 85 Ų | 85 | 40.7 Ų | 40.7 | 39% | 0.394 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.7 | -42 | 174.9 | -172.5 | 72.4 | 0 | 0 | 0 | 112.4 | Q334 S387 G388 F389 Q393 L394 V395 | Q334-H391 PolarHBondContact NE2-CD2 3.16Å; Q334-H391 PolarHBondContact NE2-NE2 2.97Å; S387-H391 PolarHBondContact O-N 3.4Å; G388-H391 PolarHBondContact O-N 2.75Å; F389-H391 VanDerWaalsContact C-N 3.3Å; F389-H391 PolarHBondContact O-N 2.69Å; H391-Q393 VanDerWaalsContact C-N 3.26Å; H391-Q393 PolarHBondContact O-N 3.06Å; H391-L394 WeakPolarHBondContact O-CB 3.48Å; H391-L394 PolarHBondContact O-N 2.85Å; H391-L394 VanDerWaalsContact O-N 3.14Å; H391-V395 WeakPolarHBondContact O-CG2 3.39Å; H391-V395 PolarHBondContact O-N 2.98Å; H391-V395 VanDerWaalsContact O-N 3.09Å |
| 392 | N | 79.4 | Confident | 76.9 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -30.6 | 176.8 | -68.5 | -26.1 | 0 | 0 | 0 | 112.7 | F330 G388 F389 L390 V395 C396 | F330-N392 HydrophobicContact CB-CB 4.01Å; F330-N392 VanDerWaalsContact O-CG 3.24Å; F330-N392 PolarHBondContact O-ND2 2.9Å; F330-N392 VanDerWaalsContact O-ND2 3.08Å; G388-N392 PolarHBondContact O-N 3.47Å; G388-N392 PolarHBondContact O-ND2 3.12Å; F389-N392 PolarHBondContact O-N 3.03Å; F389-N392 VanDerWaalsContact O-N 3.16Å; L390-N392 PolarHBondContact O-N 3.45Å; N392-V395 PolarHBondContact O-N 3.4Å; N392-C396 PolarHBondContact O-N 3.49Å |
| 393 | Q | 79.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 172.7 | -62.8 | -50.4 | -35.7 | 0 | 0 | 112.2 | F389 L390 H391 V395 C396 L397 F409 W413 | F389-Q393 WeakPolarHBondContact O-CG 3.48Å; F389-Q393 PolarHBondContact O-N 3.29Å; F389-Q393 VanDerWaalsContact O-N 3.08Å; L390-Q393 WeakPolarHBondContact O-CB 3.46Å; L390-Q393 PolarHBondContact O-N 3.45Å; H391-Q393 VanDerWaalsContact C-N 3.26Å; H391-Q393 PolarHBondContact O-N 3.06Å; Q393-V395 VanDerWaalsContact C-N 3.32Å; Q393-V395 PolarHBondContact O-N 2.89Å; Q393-C396 WeakPolarHBondContact O-CB 3.44Å; Q393-C396 PolarHBondContact O-N 3.16Å; Q393-L397 PolarHBondContact O-N 2.97Å; Q393-L397 VanDerWaalsContact O-N 3.11Å; Q393-F409 HydrophobicContact CB-CE2 3.99Å; Q393-F409 HydrophobicContact CB-CZ 4.24Å; Q393-F409 VanDerWaalsContact O-CE2 3.26Å; Q393-F409 WeakPolarHBondContact O-CE2 3.46Å; Q393-F409 VanDerWaalsContact O-CZ 3.28Å; Q393-F409 WeakPolarHBondContact O-CZ 3.34Å; Q393-W413 HydrophobicContact CB-CZ2 3.77Å; Q393-W413 HydrophobicContact CG-CZ2 4.04Å |
| 394 | L | 80.5 | Confident | 76.8 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 11% | 0.105 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 173.2 | -69 | 171.8 | 0 | 0 | 0 | 111.7 | L390 H391 C396 L397 D398 F443 A446 F447 | L390-L394 PolarHBondContact O-N 3.21Å; H391-L394 WeakPolarHBondContact O-CB 3.48Å; H391-L394 PolarHBondContact O-N 2.85Å; H391-L394 VanDerWaalsContact O-N 3.14Å; L394-C396 VanDerWaalsContact C-N 3.3Å; L394-C396 PolarHBondContact O-N 2.57Å; L394-L397 PolarHBondContact O-N 3.26Å; L394-D398 PolarHBondContact O-N 3.22Å; L394-F443 HydrophobicContact CD1-CD2 3.73Å; L394-F443 HydrophobicContact CD1-CE2 3.56Å; L394-F443 HydrophobicContact CD2-CE2 4.11Å; L394-F443 HydrophobicContact CD2-CZ 4.37Å; L394-F443 HydrophobicContact CG-CD2 4.34Å; L394-F443 HydrophobicContact CG-CE2 3.65Å; L394-F443 HydrophobicContact CG-CZ 4.33Å; L394-A446 HydrophobicContact CD1-CB 3.91Å; L394-F447 VanDerWaalsContact CD2-CA 3.49Å; L394-F447 HydrophobicContact CD2-CB 3.61Å; L394-F447 HydrophobicContact CD2-CD1 4.4Å; L394-F447 HydrophobicContact CD2-CD2 3.76Å; L394-F447 HydrophobicContact CD2-CG 3.66Å |
| 395 | V | 80.3 | Confident | 76.8 | Confident | 21 Ų | 21 | 41 Ų | 41 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 176 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | L333 Q334 H391 N392 Q393 D398 K399 | L333-V395 HydrophobicContact CB-CG1 4.42Å; Q334-V395 HydrophobicContact CG-CG2 4.01Å; H391-V395 WeakPolarHBondContact O-CG2 3.39Å; H391-V395 PolarHBondContact O-N 2.98Å; H391-V395 VanDerWaalsContact O-N 3.09Å; N392-V395 PolarHBondContact O-N 3.4Å; Q393-V395 VanDerWaalsContact C-N 3.32Å; Q393-V395 PolarHBondContact O-N 2.89Å; V395-D398 PolarHBondContact O-N 3.05Å; V395-K399 HydrophobicContact CG1-CD 3.79Å; V395-K399 HydrophobicContact CG1-CG 4.18Å; V395-K399 VanDerWaalsContact O-CB 3.31Å; V395-K399 WeakPolarHBondContact O-CB 3.32Å; V395-K399 WeakPolarHBondContact O-CG 3.24Å; V395-K399 PolarHBondContact O-N 2.66Å |
| 396 | C | 77.7 | Confident | 76.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -48 | 173.5 | -84.9 | 0 | 0 | 0 | 0 | 112.4 | F330 L333 F363 N392 Q393 L394 D398 S400 F409 | F330-C396 VanDerWaalsContact CD1-SG 3.57Å; L333-C396 WeakPolarHBondContact CD1-SG 3.47Å; F363-C396 HydrophobicContact CZ-CB 4.27Å; N392-C396 PolarHBondContact O-N 3.49Å; Q393-C396 WeakPolarHBondContact O-CB 3.44Å; Q393-C396 PolarHBondContact O-N 3.16Å; L394-C396 VanDerWaalsContact C-N 3.3Å; L394-C396 PolarHBondContact O-N 2.57Å; C396-D398 VanDerWaalsContact C-N 3.34Å; C396-D398 PolarHBondContact O-N 3.4Å; C396-S400 VanDerWaalsContact O-CB 3.32Å; C396-S400 WeakPolarHBondContact O-CB 3.47Å; C396-S400 PolarHBondContact O-N 3.27Å; C396-S400 PolarHBondContact O-OG 3.38Å; C396-F409 HydrophobicContact CB-CE2 4.34Å |
| 397 | L | 79.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -47.4 | 177.4 | 179.5 | 64.3 | 0 | 0 | 0 | 110.7 | Q393 L394 K399 S400 F409 F447 A450 L451 K454 | Q393-L397 PolarHBondContact O-N 2.97Å; Q393-L397 VanDerWaalsContact O-N 3.11Å; L394-L397 PolarHBondContact O-N 3.26Å; L397-K399 PolarHBondContact O-N 2.84Å; L397-S400 PolarHBondContact O-N 3.5Å; L397-S400 PolarHBondContact O-OG 3.06Å; L397-F409 HydrophobicContact CB-CD1 4.28Å; L397-F409 HydrophobicContact CB-CE1 3.74Å; L397-F409 HydrophobicContact CB-CZ 3.86Å; L397-F409 HydrophobicContact CD1-CD1 3.9Å; L397-F409 HydrophobicContact CD1-CE1 4.02Å; L397-F409 HydrophobicContact CD2-CE1 4.03Å; L397-F409 HydrophobicContact CG-CE1 4.15Å; L397-F447 HydrophobicContact CD2-CD2 4.03Å; L397-F447 HydrophobicContact CD2-CE2 3.69Å; L397-A450 HydrophobicContact CD2-CB 4.01Å; L397-L451 HydrophobicContact CD2-CD2 3.86Å; L397-L451 HydrophobicContact CD2-CG 4.16Å; L397-K454 HydrophobicContact CD1-CG 4.4Å; L397-K454 HydrophobicContact CG-CG 4.39Å; L397-K454 WeakPolarHBondContact O-CE 3.44Å; L397-K454 PolarHBondContact O-NZ 3.13Å; L397-K454 VanDerWaalsContact O-NZ 3.17Å |
| 398 | D | 79.6 | Confident | 77.2 | Confident | 89 Ų | 89 | 38.9 Ų | 38.9 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.6 | -41 | -176.1 | -158 | 38.2 | 0 | 0 | 0 | 111.8 | L394 V395 C396 K454 | L394-D398 PolarHBondContact O-N 3.22Å; V395-D398 PolarHBondContact O-N 3.05Å; C396-D398 VanDerWaalsContact C-N 3.34Å; C396-D398 PolarHBondContact O-N 3.4Å; D398-K454 PolarHBondContact O-NZ 2.91Å |
| 399 | K | 75.8 | Confident | 77.4 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -81.7 | -12.2 | -178.8 | -69.3 | -171.5 | 179.6 | -175.3 | 0 | 115.5 | L333 Q334 A336 L340 V395 L397 | L333-K399 PolarHBondContact O-NZ 3.42Å; Q334-K399 PolarHBondContact O-NZ 3.34Å; A336-K399 PolarHBondContact O-NZ 3.01Å; L340-K399 HydrophobicContact CD1-CB 3.99Å; V395-K399 HydrophobicContact CG1-CD 3.79Å; V395-K399 HydrophobicContact CG1-CG 4.18Å; V395-K399 VanDerWaalsContact O-CB 3.31Å; V395-K399 WeakPolarHBondContact O-CB 3.32Å; V395-K399 WeakPolarHBondContact O-CG 3.24Å; V395-K399 PolarHBondContact O-N 2.66Å; L397-K399 PolarHBondContact O-N 2.84Å |
| 400 | S | 74.7 | Confident | 77.6 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | trans | -87.4 | 132.6 | 179 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | C396 L397 C406 K454 | C396-S400 VanDerWaalsContact O-CB 3.32Å; C396-S400 WeakPolarHBondContact O-CB 3.47Å; C396-S400 PolarHBondContact O-N 3.27Å; C396-S400 PolarHBondContact O-OG 3.38Å; L397-S400 PolarHBondContact O-N 3.5Å; L397-S400 PolarHBondContact O-OG 3.06Å; S400-C406 PolarHBondContact OG-SG 2.98Å; S400-K454 PolarHBondContact O-NZ 3.25Å | ||
| 401 | Q | 71.9 | Confident | 77.7 | Confident | 138 Ų | 138 | 40.3 Ų | 40.3 | 65% | 0.645 | 20% | 0.199 | S | C | * | . | trans | -115.5 | -23.2 | 174.2 | -51.8 | -173.7 | -21.4 | 0 | 0 | 111.5 | D341 V403 | D341-Q401 WeakPolarHBondContact OD2-CA 3.36Å; D341-Q401 WeakPolarHBondContact OD2-CB 3.35Å; D341-Q401 PolarHBondContact OD2-N 2.94Å; Q401-V403 PolarHBondContact O-N 2.83Å | ||
| 402 | H | 72.1 | Confident | 77.7 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 44% | 0.44 | 18% | 0.18 | S | C | . | . | trans | -65.6 | 125.4 | 174.9 | -86.3 | -55.1 | 0 | 0 | 0 | 113.4 | D341 Q344 D404 T405 C406 | D341-H402 IonicContact OD1-CD2 2.66Å; D341-H402 PolarHBondContact OD1-CD2 3.07Å; D341-H402 IonicContact OD1-CG 3.4Å; D341-H402 IonicContact OD2-CD2 2.65Å; D341-H402 PolarHBondContact OD2-N 3.14Å; Q344-H402 PolarHBondContact OE1-CD2 3.09Å; H402-D404 PolarHBondContact O-N 2.88Å; H402-T405 WeakPolarHBondContact O-CB 3.29Å; H402-T405 PolarHBondContact O-N 3.43Å; H402-C406 PolarHBondContact O-N 2.97Å; H402-C406 PolarHBondContact O-SG 2.92Å; H402-C406 VanDerWaalsContact O-SG 3.4Å | ||
| 403 | V | 73.1 | Confident | 78 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 34% | 0.339 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -56.2 | -49.3 | -177.9 | 177 | 0 | 0 | 0 | 0 | 112.5 | Q401 T405 C406 R407 L479 | Q401-V403 PolarHBondContact O-N 2.83Å; V403-T405 VanDerWaalsContact C-N 3.27Å; V403-T405 PolarHBondContact O-N 3.26Å; V403-C406 PolarHBondContact O-N 3.21Å; V403-R407 WeakPolarHBondContact O-CB 3.29Å; V403-R407 PolarHBondContact O-N 2.9Å; V403-L479 HydrophobicContact CB-CD2 4.26Å; V403-L479 HydrophobicContact CG1-CB 4.14Å; V403-L479 HydrophobicContact CG1-CD2 3.86Å; V403-L479 HydrophobicContact CG2-CD2 4.46Å |
| 404 | D | 71.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 36.8 Ų | 36.8 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.9 | -36.8 | -178.6 | -69.1 | -32.7 | 0 | 0 | 0 | 112.9 | H402 R407 T408 | H402-D404 PolarHBondContact O-N 2.88Å; D404-R407 PolarHBondContact O-N 3.08Å; D404-R407 IonicContact OD1-NH1 2.7Å; D404-T408 PolarHBondContact O-N 3.41Å; D404-T408 PolarHBondContact O-OG1 3.37Å |
| 405 | T | 73.1 | Confident | 78.5 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -47.3 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | F363 L367 H402 V403 T408 F409 | F363-T405 HydrophobicContact CD1-CG2 3.5Å; F363-T405 HydrophobicContact CE1-CG2 3.19Å; F363-T405 HydrophobicContact CZ-CG2 4.41Å; L367-T405 HydrophobicContact CD1-CG2 3.66Å; H402-T405 WeakPolarHBondContact O-CB 3.29Å; H402-T405 PolarHBondContact O-N 3.43Å; V403-T405 VanDerWaalsContact C-N 3.27Å; V403-T405 PolarHBondContact O-N 3.26Å; T405-T408 PolarHBondContact O-N 3.42Å; T405-F409 WeakPolarHBondContact O-CB 3.44Å; T405-F409 PolarHBondContact O-N 2.83Å |
| 406 | C | 78 | Confident | 78.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | S400 H402 V403 F409 C410 F458 L479 | S400-C406 PolarHBondContact OG-SG 2.98Å; H402-C406 PolarHBondContact O-N 2.97Å; H402-C406 PolarHBondContact O-SG 2.92Å; H402-C406 VanDerWaalsContact O-SG 3.4Å; V403-C406 PolarHBondContact O-N 3.21Å; C406-F409 WeakPolarHBondContact O-CB 3.46Å; C406-F409 PolarHBondContact O-N 3.12Å; C406-C410 WeakPolarHBondContact O-CB 3.38Å; C406-C410 PolarHBondContact O-N 3.09Å; C406-C410 PolarHBondContact O-SG 3.29Å; C406-F458 HydrophobicContact CB-CE2 4.25Å; C406-F458 HydrophobicContact CB-CZ 3.91Å; C406-L479 HydrophobicContact CB-CD1 4.04Å; C406-L479 HydrophobicContact CB-CD2 3.66Å; C406-L479 HydrophobicContact CB-CG 4.47Å |
| 407 | R | 79.4 | Confident | 79 | Confident | 75 Ų | 75 | 36.5 Ų | 36.5 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.4 | -52.7 | 174.3 | -178.3 | -175.3 | -74.3 | 143 | -7.3 | 110.8 | V403 D404 F409 C410 E411 G477 L479 F482 | V403-R407 WeakPolarHBondContact O-CB 3.29Å; V403-R407 PolarHBondContact O-N 2.9Å; D404-R407 PolarHBondContact O-N 3.08Å; D404-R407 IonicContact OD1-NH1 2.7Å; R407-F409 VanDerWaalsContact C-N 3.27Å; R407-F409 PolarHBondContact O-N 3.44Å; R407-C410 PolarHBondContact O-N 3.21Å; R407-E411 WeakPolarHBondContact O-CG 3.49Å; R407-E411 PolarHBondContact O-N 3.47Å; R407-G477 PolarHBondContact NH2-O 2.85Å; R407-L479 HydrophobicContact CB-CD1 4.16Å; R407-F482 HydrophobicContact CG-CD2 4.26Å; R407-F482 HydrophobicContact CG-CE2 4.08Å |
| 408 | T | 76.4 | Confident | 79.3 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 18% | 0.184 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -44.2 | 178 | -50.5 | 0 | 0 | 0 | 0 | 110.6 | L367 D404 T405 C410 E411 C412 | L367-T408 HydrophobicContact CB-CG2 3.97Å; D404-T408 PolarHBondContact O-N 3.41Å; D404-T408 PolarHBondContact O-OG1 3.37Å; T405-T408 PolarHBondContact O-N 3.42Å; T408-C410 VanDerWaalsContact C-N 3.33Å; T408-C410 PolarHBondContact O-N 3.39Å; T408-E411 PolarHBondContact O-N 3.26Å; T408-C412 PolarHBondContact O-N 3.49Å; T408-C412 PolarHBondContact O-SG 2.69Å |
| 409 | F | 82.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 175.4 | 179.9 | -87.8 | 0 | 0 | 0 | 112.3 | L367 Q393 C396 L397 T405 C406 R407 C412 W413 F447 | L367-F409 HydrophobicContact CD2-CD2 4.25Å; Q393-F409 HydrophobicContact CB-CE2 3.99Å; Q393-F409 HydrophobicContact CB-CZ 4.24Å; Q393-F409 VanDerWaalsContact O-CE2 3.26Å; Q393-F409 WeakPolarHBondContact O-CE2 3.46Å; Q393-F409 VanDerWaalsContact O-CZ 3.28Å; Q393-F409 WeakPolarHBondContact O-CZ 3.34Å; C396-F409 HydrophobicContact CB-CE2 4.34Å; L397-F409 HydrophobicContact CB-CD1 4.28Å; L397-F409 HydrophobicContact CB-CE1 3.74Å; L397-F409 HydrophobicContact CB-CZ 3.86Å; L397-F409 HydrophobicContact CD1-CD1 3.9Å; L397-F409 HydrophobicContact CD1-CE1 4.02Å; L397-F409 HydrophobicContact CD2-CE1 4.03Å; L397-F409 HydrophobicContact CG-CE1 4.15Å; T405-F409 WeakPolarHBondContact O-CB 3.44Å; T405-F409 PolarHBondContact O-N 2.83Å; C406-F409 WeakPolarHBondContact O-CB 3.46Å; C406-F409 PolarHBondContact O-N 3.12Å; R407-F409 VanDerWaalsContact C-N 3.27Å; R407-F409 PolarHBondContact O-N 3.44Å; F409-C412 WeakPolarHBondContact O-CB 3.45Å; F409-C412 PolarHBondContact O-N 3.36Å; F409-W413 AromaticContact CD1-CD1 3.77Å; F409-W413 AromaticContact CE1-CD1 3.28Å; F409-W413 HydrophobicContact CE1-CG 4.24Å; F409-W413 AromaticContact CE1-NE1 3.63Å; F409-W413 AromaticContact CE2-CD1 3.62Å; F409-W413 AromaticContact CE2-NE1 3.33Å; F409-W413 VanDerWaalsContact CE2-NE1 3.33Å; F409-W413 AromaticContact CZ-CD1 3.23Å; F409-W413 HydrophobicContact CZ-CG 4.37Å; F409-W413 AromaticContact CZ-NE1 3.03Å; F409-W413 PolarHBondContact O-N 3.18Å; F409-W413 VanDerWaalsContact O-N 3.12Å; F409-F447 AromaticContact CE1-CE2 3.9Å; F409-F447 HydrophobicContact CE1-CE2 3.9Å; F409-F447 AromaticContact CE1-CZ 3.8Å; F409-F447 HydrophobicContact CE1-CZ 3.8Å; F409-F447 HydrophobicContact CZ-CE2 4.49Å; F409-F447 HydrophobicContact CZ-CZ 4.29Å |
| 410 | C | 83.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | -179.8 | -66.2 | 0 | 0 | 0 | 0 | 112 | C406 R407 T408 C412 W413 A414 F482 L486 | C406-C410 WeakPolarHBondContact O-CB 3.38Å; C406-C410 PolarHBondContact O-N 3.09Å; C406-C410 PolarHBondContact O-SG 3.29Å; R407-C410 PolarHBondContact O-N 3.21Å; T408-C410 VanDerWaalsContact C-N 3.33Å; T408-C410 PolarHBondContact O-N 3.39Å; C410-C412 VanDerWaalsContact C-N 3.34Å; C410-C412 PolarHBondContact O-N 2.94Å; C410-W413 PolarHBondContact O-N 3.41Å; C410-A414 WeakPolarHBondContact O-CB 3.34Å; C410-A414 PolarHBondContact O-N 3.11Å; C410-F482 HydrophobicContact CB-CB 3.96Å; C410-L486 HydrophobicContact CB-CD1 3.55Å; C410-L486 HydrophobicContact CB-CG 4.39Å; C410-L486 VanDerWaalsContact SG-CD1 3.58Å |
| 411 | E | 82.1 | Confident | 80.1 | Confident | 72 Ų | 72 | 34.9 Ų | 34.9 | 34% | 0.336 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 174.1 | -69.6 | 170.8 | -179.3 | 0 | 0 | 111.9 | R407 T408 W413 A414 S415 F482 | R407-E411 WeakPolarHBondContact O-CG 3.49Å; R407-E411 PolarHBondContact O-N 3.47Å; T408-E411 PolarHBondContact O-N 3.26Å; E411-W413 PolarHBondContact O-N 2.94Å; E411-A414 PolarHBondContact O-N 3.32Å; E411-S415 PolarHBondContact O-N 3.31Å; E411-S415 PolarHBondContact O-OG 3.45Å; E411-F482 HydrophobicContact CG-CE1 4.18Å |
| 412 | C | 80.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55 | -52 | 172.8 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | H371 T408 F409 C410 S415 M416 | H371-C412 WeakPolarHBondContact CA-SG 3.39Å; H371-C412 WeakPolarHBondContact CB-SG 3.36Å; H371-C412 PolarHBondContact N-SG 3.11Å; H371-C412 WeakPolarHBondContact ND1-CA 3.22Å; H371-C412 PolarHBondContact ND1-N 2.98Å; T408-C412 PolarHBondContact O-N 3.49Å; T408-C412 PolarHBondContact O-SG 2.69Å; F409-C412 WeakPolarHBondContact O-CB 3.45Å; F409-C412 PolarHBondContact O-N 3.36Å; C410-C412 VanDerWaalsContact C-N 3.34Å; C410-C412 PolarHBondContact O-N 2.94Å; C412-S415 PolarHBondContact O-N 3.45Å; C412-M416 VanDerWaalsContact O-CG 3.29Å; C412-M416 WeakPolarHBondContact O-CG 3.3Å; C412-M416 PolarHBondContact O-N 2.86Å; C412-M416 VanDerWaalsContact O-N 3.08Å |
| 413 | W | 86.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.6 | -28.9 | -174.3 | -86.4 | 101.1 | 0 | 0 | 0 | 113.4 | L390 Q393 F409 C410 E411 M416 L417 F443 F447 L486 | L390-W413 HydrophobicContact CD2-CH2 3.7Å; L390-W413 HydrophobicContact CD2-CZ2 4.36Å; Q393-W413 HydrophobicContact CB-CZ2 3.77Å; Q393-W413 HydrophobicContact CG-CZ2 4.04Å; F409-W413 AromaticContact CD1-CD1 3.77Å; F409-W413 AromaticContact CE1-CD1 3.28Å; F409-W413 HydrophobicContact CE1-CG 4.24Å; F409-W413 AromaticContact CE1-NE1 3.63Å; F409-W413 AromaticContact CE2-CD1 3.62Å; F409-W413 AromaticContact CE2-NE1 3.33Å; F409-W413 VanDerWaalsContact CE2-NE1 3.33Å; F409-W413 AromaticContact CZ-CD1 3.23Å; F409-W413 HydrophobicContact CZ-CG 4.37Å; F409-W413 AromaticContact CZ-NE1 3.03Å; F409-W413 PolarHBondContact O-N 3.18Å; F409-W413 VanDerWaalsContact O-N 3.12Å; C410-W413 PolarHBondContact O-N 3.41Å; E411-W413 PolarHBondContact O-N 2.94Å; W413-M416 HydrophobicContact CD2-CE 4.48Å; W413-M416 HydrophobicContact CD2-SD 3.92Å; W413-M416 HydrophobicContact CE3-CB 4.03Å; W413-M416 HydrophobicContact CE3-CE 4.24Å; W413-M416 HydrophobicContact CE3-SD 4.02Å; W413-M416 HydrophobicContact CG-SD 4.37Å; W413-M416 HydrophobicContact CH2-CE 4.04Å; W413-M416 HydrophobicContact CZ2-CE 4.24Å; W413-M416 HydrophobicContact CZ3-CE 4.03Å; W413-M416 HydrophobicContact CZ3-SD 4.41Å; W413-M416 PolarHBondContact O-N 3.17Å; W413-L417 HydrophobicContact CE3-CG 4.36Å; W413-L417 WeakPolarHBondContact O-CB 3.39Å; W413-L417 VanDerWaalsContact O-CG 3.27Å; W413-L417 WeakPolarHBondContact O-CG 3.39Å; W413-L417 PolarHBondContact O-N 3.05Å; W413-F443 AromaticContact CH2-CE1 3.63Å; W413-F443 HydrophobicContact CH2-CE1 3.63Å; W413-F443 HydrophobicContact CH2-CE2 4.37Å; W413-F443 AromaticContact CH2-CZ 3.3Å; W413-F443 HydrophobicContact CH2-CZ 3.3Å; W413-F443 HydrophobicContact CZ2-CE1 4.48Å; W413-F443 AromaticContact CZ2-CZ 3.77Å; W413-F443 HydrophobicContact CZ2-CZ 3.77Å; W413-F443 AromaticContact CZ3-CE1 3.87Å; W413-F443 HydrophobicContact CZ3-CE1 3.87Å; W413-F443 AromaticContact CZ3-CZ 3.99Å; W413-F443 HydrophobicContact CZ3-CZ 3.99Å; W413-F447 HydrophobicContact CB-CE1 4.17Å; W413-F447 HydrophobicContact CB-CZ 3.94Å; W413-F447 AromaticContact CD1-CZ 3.86Å; W413-F447 AromaticContact CD2-CE1 3.41Å; W413-F447 HydrophobicContact CD2-CE1 3.41Å; W413-F447 VanDerWaalsContact CD2-CE1 3.41Å; W413-F447 AromaticContact CD2-CZ 3.82Å; W413-F447 HydrophobicContact CD2-CZ 3.82Å; W413-F447 AromaticContact CE2-CE1 3.82Å; W413-F447 HydrophobicContact CE3-CD1 4.46Å; W413-F447 AromaticContact CE3-CE1 3.58Å; W413-F447 HydrophobicContact CE3-CE1 3.58Å; W413-F447 HydrophobicContact CE3-CZ 4.4Å; W413-F447 AromaticContact CG-CE1 3.7Å; W413-F447 HydrophobicContact CG-CE1 3.7Å; W413-F447 AromaticContact CG-CZ 3.59Å; W413-F447 HydrophobicContact CG-CZ 3.59Å; W413-F447 HydrophobicContact CH2-CE1 4.38Å; W413-F447 HydrophobicContact CZ2-CE1 4.29Å; W413-F447 HydrophobicContact CZ3-CE1 4.06Å; W413-L486 HydrophobicContact CB-CD1 4.46Å; W413-L486 HydrophobicContact CB-CD2 3.76Å |
| 414 | A | 87.4 | Confident | 81.1 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 21% | 0.207 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | C410 E411 M416 L417 D418 L486 L489 | C410-A414 WeakPolarHBondContact O-CB 3.34Å; C410-A414 PolarHBondContact O-N 3.11Å; E411-A414 PolarHBondContact O-N 3.32Å; A414-M416 VanDerWaalsContact C-N 3.34Å; A414-M416 PolarHBondContact O-N 3.1Å; A414-L417 PolarHBondContact O-N 3.24Å; A414-D418 PolarHBondContact O-N 3.34Å; A414-L486 HydrophobicContact CB-CD2 4.14Å; A414-L489 HydrophobicContact CB-CD1 3.95Å |
| 415 | S | 82.7 | Confident | 81.5 | Confident | 36 Ų | 36 | 30 Ų | 30 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | N375 E411 C412 A419 | N375-S415 WeakPolarHBondContact OD1-CB 3.38Å; N375-S415 PolarHBondContact OD1-OG 3.29Å; E411-S415 PolarHBondContact O-N 3.31Å; E411-S415 PolarHBondContact O-OG 3.45Å; C412-S415 PolarHBondContact O-N 3.45Å; S415-A419 WeakPolarHBondContact O-CB 3.32Å; S415-A419 PolarHBondContact O-N 2.97Å; S415-A419 VanDerWaalsContact O-N 3.12Å |
| 416 | M | 82.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 178.3 | -68.1 | 169.6 | 77.1 | 0 | 0 | 111.7 | A374 Y378 C412 W413 A414 A419 V420 | A374-M416 HydrophobicContact CB-CG 3.23Å; A374-M416 HydrophobicContact CB-SD 3.87Å; Y378-M416 HydrophobicContact CD1-CB 3.77Å; Y378-M416 HydrophobicContact CD1-CE 4.45Å; Y378-M416 HydrophobicContact CD1-CG 3.96Å; Y378-M416 HydrophobicContact CD2-CE 3.34Å; Y378-M416 HydrophobicContact CD2-CG 4.29Å; Y378-M416 HydrophobicContact CE1-CB 3.65Å; Y378-M416 HydrophobicContact CE1-CE 4.26Å; Y378-M416 HydrophobicContact CE1-CG 4.19Å; Y378-M416 WeakPolarHBondContact CE1-O 3.46Å; Y378-M416 HydrophobicContact CE2-CE 3.09Å; Y378-M416 HydrophobicContact CG-CB 4.33Å; Y378-M416 HydrophobicContact CG-CE 4.03Å; Y378-M416 HydrophobicContact CG-CG 4.01Å; C412-M416 VanDerWaalsContact O-CG 3.29Å; C412-M416 WeakPolarHBondContact O-CG 3.3Å; C412-M416 PolarHBondContact O-N 2.86Å; C412-M416 VanDerWaalsContact O-N 3.08Å; W413-M416 HydrophobicContact CD2-CE 4.48Å; W413-M416 HydrophobicContact CD2-SD 3.92Å; W413-M416 HydrophobicContact CE3-CB 4.03Å; W413-M416 HydrophobicContact CE3-CE 4.24Å; W413-M416 HydrophobicContact CE3-SD 4.02Å; W413-M416 HydrophobicContact CG-SD 4.37Å; W413-M416 HydrophobicContact CH2-CE 4.04Å; W413-M416 HydrophobicContact CZ2-CE 4.24Å; W413-M416 HydrophobicContact CZ3-CE 4.03Å; W413-M416 HydrophobicContact CZ3-SD 4.41Å; W413-M416 PolarHBondContact O-N 3.17Å; A414-M416 VanDerWaalsContact C-N 3.34Å; A414-M416 PolarHBondContact O-N 3.1Å; M416-A419 WeakPolarHBondContact O-CB 3.49Å; M416-A419 PolarHBondContact O-N 3.36Å; M416-V420 PolarHBondContact O-N 2.94Å |
| 417 | L | 86.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | -179.4 | -69.9 | 171.8 | 0 | 0 | 0 | 111.1 | W413 A414 A419 V420 I421 L439 L486 L489 L490 V493 | W413-L417 HydrophobicContact CE3-CG 4.36Å; W413-L417 WeakPolarHBondContact O-CB 3.39Å; W413-L417 VanDerWaalsContact O-CG 3.27Å; W413-L417 WeakPolarHBondContact O-CG 3.39Å; W413-L417 PolarHBondContact O-N 3.05Å; A414-L417 PolarHBondContact O-N 3.24Å; L417-A419 VanDerWaalsContact C-N 3.28Å; L417-A419 PolarHBondContact O-N 3.47Å; L417-V420 PolarHBondContact O-N 3.34Å; L417-V420 VanDerWaalsContact O-N 3.11Å; L417-I421 WeakPolarHBondContact O-CB 3.33Å; L417-I421 WeakPolarHBondContact O-CD1 3.35Å; L417-I421 WeakPolarHBondContact O-CG1 3.12Å; L417-I421 PolarHBondContact O-N 2.9Å; L417-L439 HydrophobicContact CD2-CD1 4.12Å; L417-L486 HydrophobicContact CD1-CD2 3.89Å; L417-L489 HydrophobicContact CB-CB 3.98Å; L417-L489 HydrophobicContact CB-CD1 4.36Å; L417-L489 HydrophobicContact CD1-CB 3.79Å; L417-L490 HydrophobicContact CD1-CD2 3.82Å; L417-L490 HydrophobicContact CD1-CG 3.85Å; L417-L490 HydrophobicContact CD2-CD2 3.85Å; L417-V493 HydrophobicContact CD2-CG2 4.14Å |
| 418 | D | 85.9 | Confident | 81 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 43% | 0.428 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 173.3 | -82.9 | -30.5 | 0 | 0 | 0 | 111.7 | A414 V420 I421 L422 L489 | A414-D418 PolarHBondContact O-N 3.34Å; D418-V420 PolarHBondContact O-N 3.16Å; D418-I421 PolarHBondContact O-N 2.86Å; D418-L422 VanDerWaalsContact O-CB 3.31Å; D418-L422 WeakPolarHBondContact O-CB 3.48Å; D418-L422 PolarHBondContact O-N 3.02Å; D418-L489 WeakPolarHBondContact OD1-CD2 3.44Å |
| 419 | A | 79.6 | Confident | 80.6 | Confident | 19 Ų | 19 | 39.1 Ų | 39.1 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y378 A379 S415 M416 L417 R423 | Y378-A419 HydrophobicContact CD1-CB 4.41Å; A379-A419 HydrophobicContact CB-CB 3.64Å; S415-A419 WeakPolarHBondContact O-CB 3.32Å; S415-A419 PolarHBondContact O-N 2.97Å; S415-A419 VanDerWaalsContact O-N 3.12Å; M416-A419 WeakPolarHBondContact O-CB 3.49Å; M416-A419 PolarHBondContact O-N 3.36Å; L417-A419 VanDerWaalsContact C-N 3.28Å; L417-A419 PolarHBondContact O-N 3.47Å; A419-R423 WeakPolarHBondContact O-CB 3.43Å; A419-R423 PolarHBondContact O-N 2.85Å |
| 420 | V | 82.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 176 | 163.5 | 0 | 0 | 0 | 0 | 111 | Y378 V382 M416 L417 D418 R423 M424 Y438 V493 | Y378-V420 HydrophobicContact CE1-CG2 3.5Å; V382-V420 HydrophobicContact CG1-CG2 4.23Å; V382-V420 HydrophobicContact CG2-CG2 4.25Å; M416-V420 PolarHBondContact O-N 2.94Å; L417-V420 PolarHBondContact O-N 3.34Å; L417-V420 VanDerWaalsContact O-N 3.11Å; D418-V420 PolarHBondContact O-N 3.16Å; V420-R423 PolarHBondContact O-N 2.91Å; V420-R423 VanDerWaalsContact O-N 3.16Å; V420-M424 HydrophobicContact CG1-CG 4.37Å; V420-M424 HydrophobicContact CG1-SD 3.86Å; V420-M424 WeakPolarHBondContact O-CG 3.47Å; V420-M424 PolarHBondContact O-N 2.69Å; V420-Y438 HydrophobicContact CG1-CD2 4.45Å; V420-V493 HydrophobicContact CG1-CG1 4.39Å; V420-V493 HydrophobicContact CG1-CG2 4.09Å |
| 421 | I | 85.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 179.2 | -68.3 | 161.4 | 0 | 0 | 0 | 110 | L417 D418 R423 M424 E425 L489 R492 V493 | L417-I421 WeakPolarHBondContact O-CB 3.33Å; L417-I421 WeakPolarHBondContact O-CD1 3.35Å; L417-I421 WeakPolarHBondContact O-CG1 3.12Å; L417-I421 PolarHBondContact O-N 2.9Å; D418-I421 PolarHBondContact O-N 2.86Å; I421-R423 VanDerWaalsContact C-N 3.26Å; I421-R423 PolarHBondContact O-N 3.29Å; I421-M424 WeakPolarHBondContact O-CB 3.33Å; I421-M424 PolarHBondContact O-N 3.39Å; I421-M424 VanDerWaalsContact O-N 3.11Å; I421-E425 HydrophobicContact CG2-CG 4.31Å; I421-E425 WeakPolarHBondContact CG2-OE1 3.42Å; I421-E425 WeakPolarHBondContact O-CG 3.49Å; I421-E425 PolarHBondContact O-N 3.42Å; I421-L489 HydrophobicContact CD1-CB 4.34Å; I421-L489 HydrophobicContact CD1-CD2 3.74Å; I421-R492 HydrophobicContact CD1-CB 3.78Å; I421-R492 HydrophobicContact CG1-CB 4.14Å; I421-R492 VanDerWaalsContact CG2-NH2 3.33Å; I421-V493 HydrophobicContact CD1-CG2 4.3Å; I421-V493 HydrophobicContact CG1-CG2 3.72Å |
| 422 | L | 82.1 | Confident | 76.8 | Confident | 110 Ų | 110 | 56.6 Ų | 56.6 | 58% | 0.576 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.7 | -40.9 | 176.2 | -176.2 | 68.1 | 0 | 0 | 0 | 111.4 | D418 T426 | D418-L422 VanDerWaalsContact O-CB 3.31Å; D418-L422 WeakPolarHBondContact O-CB 3.48Å; D418-L422 PolarHBondContact O-N 3.02Å; L422-T426 WeakPolarHBondContact O-CB 3.42Å; L422-T426 WeakPolarHBondContact O-CG2 3.24Å; L422-T426 PolarHBondContact O-N 3.36Å; L422-T426 PolarHBondContact O-OG1 3.07Å |
| 423 | R | 76.6 | Confident | 75.2 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 176.6 | -166.3 | 170.2 | 174.8 | 151.4 | -5.1 | 111.7 | A379 E383 A419 V420 I421 T426 V427 Y438 | A379-R423 PolarHBondContact O-NH1 3.24Å; E383-R423 IonicContact OE1-CZ 2.75Å; E383-R423 IonicContact OE1-NH2 2.66Å; E383-R423 PolarHBondContact OE1-NH2 3.43Å; E383-R423 IonicContact OE2-NH2 3.03Å; A419-R423 WeakPolarHBondContact O-CB 3.43Å; A419-R423 PolarHBondContact O-N 2.85Å; V420-R423 PolarHBondContact O-N 2.91Å; V420-R423 VanDerWaalsContact O-N 3.16Å; I421-R423 VanDerWaalsContact C-N 3.26Å; I421-R423 PolarHBondContact O-N 3.29Å; R423-T426 WeakPolarHBondContact CA-OG1 3.5Å; R423-T426 PolarHBondContact O-N 3.28Å; R423-T426 PolarHBondContact O-OG1 2.7Å; R423-V427 WeakPolarHBondContact O-CG2 3.37Å; R423-V427 PolarHBondContact O-N 3.23Å; R423-Y438 HydrophobicContact CB-CE2 4.3Å; R423-Y438 HydrophobicContact CG-CE2 4Å |
| 424 | M | 78.7 | Confident | 73.4 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 174.8 | -71.1 | 172.9 | 66.4 | 0 | 0 | 111.8 | V420 I421 T426 V427 A428 P435 Y438 V493 | V420-M424 HydrophobicContact CG1-CG 4.37Å; V420-M424 HydrophobicContact CG1-SD 3.86Å; V420-M424 WeakPolarHBondContact O-CG 3.47Å; V420-M424 PolarHBondContact O-N 2.69Å; I421-M424 WeakPolarHBondContact O-CB 3.33Å; I421-M424 PolarHBondContact O-N 3.39Å; I421-M424 VanDerWaalsContact O-N 3.11Å; M424-T426 PolarHBondContact O-N 3.08Å; M424-V427 PolarHBondContact O-N 3.44Å; M424-A428 WeakPolarHBondContact O-CB 3.27Å; M424-A428 PolarHBondContact O-N 3.11Å; M424-P435 HydrophobicContact CB-CB 4.48Å; M424-P435 HydrophobicContact CE-CB 4.01Å; M424-P435 HydrophobicContact CE-CG 4.4Å; M424-Y438 HydrophobicContact CG-CD2 3.65Å; M424-Y438 HydrophobicContact CG-CE2 3.68Å; M424-V493 HydrophobicContact SD-CB 4.49Å; M424-V493 HydrophobicContact SD-CG1 4Å; M424-V493 HydrophobicContact SD-CG2 4.42Å |
| 425 | E | 79.2 | Confident | 71.7 | Confident | 87 Ų | 87 | 70 Ų | 70 | 41% | 0.407 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 178.8 | -71.4 | 174.7 | 178.3 | 0 | 0 | 111.7 | I421 V427 N429 R492 | I421-E425 HydrophobicContact CG2-CG 4.31Å; I421-E425 WeakPolarHBondContact CG2-OE1 3.42Å; I421-E425 WeakPolarHBondContact O-CG 3.49Å; I421-E425 PolarHBondContact O-N 3.42Å; E425-V427 PolarHBondContact O-N 2.99Å; E425-N429 WeakPolarHBondContact O-CB 3.47Å; E425-N429 PolarHBondContact O-N 3.48Å; E425-N429 VanDerWaalsContact O-N 3.11Å; E425-N429 PolarHBondContact O-ND2 3.4Å; E425-R492 IonicContact OE1-CZ 3.33Å; E425-R492 IonicContact OE1-NH2 3.93Å; E425-R492 PolarHBondContact OE1-NH2 2.92Å |
| 426 | T | 77.2 | Confident | 70.4 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 177.1 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | L422 R423 M424 K430 | L422-T426 WeakPolarHBondContact O-CB 3.42Å; L422-T426 WeakPolarHBondContact O-CG2 3.24Å; L422-T426 PolarHBondContact O-N 3.36Å; L422-T426 PolarHBondContact O-OG1 3.07Å; R423-T426 WeakPolarHBondContact CA-OG1 3.5Å; R423-T426 PolarHBondContact O-N 3.28Å; R423-T426 PolarHBondContact O-OG1 2.7Å; M424-T426 PolarHBondContact O-N 3.08Å; T426-K430 WeakPolarHBondContact O-CG 3.37Å |
| 427 | V | 71.9 | Confident | 69.5 | Low | 44 Ų | 44 | 74.9 Ų | 74.9 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -77.1 | -42.5 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | R423 M424 E425 N429 K430 Q431 Y438 | R423-V427 WeakPolarHBondContact O-CG2 3.37Å; R423-V427 PolarHBondContact O-N 3.23Å; M424-V427 PolarHBondContact O-N 3.44Å; E425-V427 PolarHBondContact O-N 2.99Å; V427-N429 PolarHBondContact O-N 2.63Å; V427-K430 PolarHBondContact O-N 3.47Å; V427-Q431 PolarHBondContact O-N 3.23Å; V427-Y438 VanDerWaalsContact CG2-OH 3.32Å; V427-Y438 WeakPolarHBondContact CG2-OH 3.4Å |
| 428 | A | 70.8 | Confident | 68.8 | Low | 47 Ų | 47 | 77.2 Ų | 77.2 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.9 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | M424 K430 | M424-A428 WeakPolarHBondContact O-CB 3.27Å; M424-A428 PolarHBondContact O-N 3.11Å; A428-K430 VanDerWaalsContact C-N 3.31Å; A428-K430 PolarHBondContact O-N 3.25Å |
| 429 | N | 68.6 | Low | 68.5 | Low | 147 Ų | 147 | 73.7 Ų | 73.7 | 79% | 0.786 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.9 | 175.5 | -75.4 | -25.6 | 0 | 0 | 0 | 114.2 | E425 V427 | E425-N429 WeakPolarHBondContact O-CB 3.47Å; E425-N429 PolarHBondContact O-N 3.48Å; E425-N429 VanDerWaalsContact O-N 3.11Å; E425-N429 PolarHBondContact O-ND2 3.4Å; V427-N429 PolarHBondContact O-N 2.63Å |
| 430 | K | 65.7 | Low | 68.5 | Low | 173 Ų | 173 | 75.3 Ų | 75.3 | 75% | 0.752 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -29.2 | -177.5 | -76 | 178.6 | -178.9 | 177.2 | 0 | 113.6 | T426 V427 A428 | T426-K430 WeakPolarHBondContact O-CG 3.37Å; V427-K430 PolarHBondContact O-N 3.47Å; A428-K430 VanDerWaalsContact C-N 3.31Å; A428-K430 PolarHBondContact O-N 3.25Å |
| 431 | Q | 51.5 | Low | 68.4 | Low | 128 Ų | 128 | 84.8 Ų | 84.8 | 60% | 0.598 | 47% | 0.468 | S | S | * | . | trans | -139.3 | 130.5 | -176.1 | -66.2 | -178.6 | -5.9 | 0 | 0 | 109.2 | V427 A433 | V427-Q431 PolarHBondContact O-N 3.23Å; Q431-A433 HydrophobicContact CB-CB 4.3Å; Q431-A433 PolarHBondContact O-N 3.5Å | ||
| 432 | S | 51.5 | Low | 68.4 | Low | 141 Ų | 141 | 86.6 Ų | 86.6 | 99% | 0.986 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -67.3 | 26.6 | 169.8 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 433 | A | 45.8 | Very low | 68.7 | Low | 56 Ų | 56 | 82 Ų | 82 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -96.2 | 142.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q431 | Q431-A433 HydrophobicContact CB-CB 4.3Å; Q431-A433 PolarHBondContact O-N 3.5Å |
| 434 | Q | 49.6 | Very low | 69.2 | Low | 187 Ų | 187 | 79.4 Ų | 79.4 | 87% | 0.874 | 45% | 0.454 | S | S | * | . | trans | -53.7 | 136.3 | 177.8 | -77.1 | -179.6 | -26.1 | 0 | 0 | 110.5 | A436 | Q434-A436 PolarHBondContact O-N 3.21Š| ||
| 435 | P | 51.3 | Low | 69.8 | Low | 65 Ų | 65 | 79.7 Ų | 79.7 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | trans | -62.7 | 107.4 | 175.3 | 26.3 | -32.1 | 0 | 0 | 0 | 108.1 | M424 S437 | M424-P435 HydrophobicContact CB-CB 4.48Å; M424-P435 HydrophobicContact CE-CB 4.01Å; M424-P435 HydrophobicContact CE-CG 4.4Å; P435-S437 PolarHBondContact O-N 3.1Å | ||
| 436 | A | 55.8 | Low | 70.4 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | trans | -63.3 | 125.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q434 Y438 | Q434-A436 PolarHBondContact O-N 3.21Å; A436-Y438 PolarHBondContact O-N 3Å | ||
| 437 | S | 62.6 | Low | 71.1 | Confident | 64 Ų | 64 | 74.8 Ų | 74.8 | 45% | 0.448 | 44% | 0.441 | S | S | . | . | trans | -61.7 | 117.2 | 175.5 | 67.2 | 0 | 0 | 0 | 0 | 108 | P435 L439 | P435-S437 PolarHBondContact O-N 3.1Å; S437-L439 PolarHBondContact O-N 2.71Å; S437-L439 VanDerWaalsContact O-N 3.08Å; S437-L439 PolarHBondContact OG-O 2.99Å | ||
| 438 | Y | 72.6 | Confident | 72.1 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -67.5 | -5.6 | 177.5 | -66.8 | -80.5 | 0 | 0 | 0 | 113.1 | E383 V420 R423 M424 V427 A436 | E383-Y438 HydrophobicContact CG-CD1 4.39Å; V420-Y438 HydrophobicContact CG1-CD2 4.45Å; R423-Y438 HydrophobicContact CB-CE2 4.3Å; R423-Y438 HydrophobicContact CG-CE2 4Å; M424-Y438 HydrophobicContact CG-CD2 3.65Å; M424-Y438 HydrophobicContact CG-CE2 3.68Å; V427-Y438 VanDerWaalsContact CG2-OH 3.32Å; V427-Y438 WeakPolarHBondContact CG2-OH 3.4Å; A436-Y438 PolarHBondContact O-N 3Å |
| 439 | L | 79.8 | Confident | 73 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -98.9 | 148.1 | 176.6 | -64 | 173.6 | 0 | 0 | 0 | 110.5 | Y378 L417 S437 F443 V493 | Y378-L439 WeakPolarHBondContact OH-CD2 3.25Å; L417-L439 HydrophobicContact CD2-CD1 4.12Å; S437-L439 PolarHBondContact O-N 2.71Å; S437-L439 VanDerWaalsContact O-N 3.08Å; S437-L439 PolarHBondContact OG-O 2.99Å; L439-F443 HydrophobicContact CB-CD1 4.19Å; L439-F443 HydrophobicContact CD1-CD1 4Å; L439-F443 HydrophobicContact CD1-CE1 4.28Å; L439-F443 HydrophobicContact CD2-CD1 4.2Å; L439-F443 HydrophobicContact CD2-CE1 4.32Å; L439-F443 HydrophobicContact CG-CD1 4.36Å; L439-V493 HydrophobicContact CD1-CG1 4.11Å |
| 440 | P | 80.3 | Confident | 74.1 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 34% | 0.344 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 148.9 | 176.5 | -21.6 | 31 | 0 | 0 | 0 | 112.4 | L390 G442 F443 | L390-P440 HydrophobicContact CD1-CG 3.46Å; L390-P440 VanDerWaalsContact CD1-CG 3.46Å; P440-G442 PolarHBondContact O-N 3.48Å; P440-F443 HydrophobicContact CB-CB 4.33Å; P440-F443 WeakPolarHBondContact O-CB 3.49Å; P440-F443 PolarHBondContact O-N 2.89Å |
| 441 | E | 80.4 | Confident | 75.3 | Confident | 199 Ų | 199 | 58 Ų | 58 | 93% | 0.93 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 132.2 | 177.3 | -164.9 | 175.4 | -176.8 | 0 | 0 | 111.2 | F443 | E441-F443 PolarHBondContact O-N 3.4Š|
| 442 | G | 84.7 | Confident | 77.1 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -6.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | P440 A445 A446 | P440-G442 PolarHBondContact O-N 3.48Å; G442-A445 WeakPolarHBondContact O-CB 3.27Å; G442-A445 PolarHBondContact O-N 3.17Å; G442-A446 PolarHBondContact O-N 3.34Å |
| 443 | F | 87.5 | Confident | 78.8 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -49.7 | 178.9 | 176.2 | -97 | 0 | 0 | 0 | 112 | L390 L394 W413 L439 P440 E441 A445 A446 F447 | L390-F443 HydrophobicContact CB-CD2 4Å; L390-F443 HydrophobicContact CB-CE2 3.72Å; L390-F443 HydrophobicContact CB-CZ 4.36Å; L394-F443 HydrophobicContact CD1-CD2 3.73Å; L394-F443 HydrophobicContact CD1-CE2 3.56Å; L394-F443 HydrophobicContact CD2-CE2 4.11Å; L394-F443 HydrophobicContact CD2-CZ 4.37Å; L394-F443 HydrophobicContact CG-CD2 4.34Å; L394-F443 HydrophobicContact CG-CE2 3.65Å; L394-F443 HydrophobicContact CG-CZ 4.33Å; W413-F443 AromaticContact CH2-CE1 3.63Å; W413-F443 HydrophobicContact CH2-CE1 3.63Å; W413-F443 HydrophobicContact CH2-CE2 4.37Å; W413-F443 AromaticContact CH2-CZ 3.3Å; W413-F443 HydrophobicContact CH2-CZ 3.3Å; W413-F443 HydrophobicContact CZ2-CE1 4.48Å; W413-F443 AromaticContact CZ2-CZ 3.77Å; W413-F443 HydrophobicContact CZ2-CZ 3.77Å; W413-F443 AromaticContact CZ3-CE1 3.87Å; W413-F443 HydrophobicContact CZ3-CE1 3.87Å; W413-F443 AromaticContact CZ3-CZ 3.99Å; W413-F443 HydrophobicContact CZ3-CZ 3.99Å; L439-F443 HydrophobicContact CB-CD1 4.19Å; L439-F443 HydrophobicContact CD1-CD1 4Å; L439-F443 HydrophobicContact CD1-CE1 4.28Å; L439-F443 HydrophobicContact CD2-CD1 4.2Å; L439-F443 HydrophobicContact CD2-CE1 4.32Å; L439-F443 HydrophobicContact CG-CD1 4.36Å; P440-F443 HydrophobicContact CB-CB 4.33Å; P440-F443 WeakPolarHBondContact O-CB 3.49Å; P440-F443 PolarHBondContact O-N 2.89Å; E441-F443 PolarHBondContact O-N 3.4Å; F443-A445 PolarHBondContact O-N 3.08Å; F443-A446 PolarHBondContact O-N 3.08Å; F443-F447 HydrophobicContact CE1-CB 4.42Å; F443-F447 AromaticContact CE1-CD1 3.66Å; F443-F447 HydrophobicContact CE1-CD1 3.66Å; F443-F447 HydrophobicContact CE1-CE1 4.43Å; F443-F447 HydrophobicContact CE1-CG 4.47Å; F443-F447 HydrophobicContact CZ-CB 4.49Å; F443-F447 AromaticContact CZ-CD1 3.72Å; F443-F447 HydrophobicContact CZ-CD1 3.72Å; F443-F447 HydrophobicContact CZ-CE1 4.35Å; F443-F447 HydrophobicContact CZ-CG 4.38Å; F443-F447 WeakPolarHBondContact O-CB 3.1Å; F443-F447 PolarHBondContact O-N 3.22Å |
| 444 | C | 88.8 | Confident | 80.7 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.9 | -40.3 | 177.9 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | F447 G448 D494 Q498 | C444-F447 PolarHBondContact O-N 3.44Å; C444-G448 PolarHBondContact O-N 3.17Å; C444-D494 HydrophobicContact CB-CB 4.13Å; C444-Q498 VanDerWaalsContact C-NE2 3.27Å; C444-Q498 PolarHBondContact O-NE2 3.14Å |
| 445 | A | 91.2 | Very high | 82.5 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -50.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | G442 F443 F447 G448 L449 I501 | G442-A445 WeakPolarHBondContact O-CB 3.27Å; G442-A445 PolarHBondContact O-N 3.17Å; F443-A445 PolarHBondContact O-N 3.08Å; A445-F447 VanDerWaalsContact C-N 3.28Å; A445-F447 PolarHBondContact O-N 2.86Å; A445-G448 PolarHBondContact O-N 3.41Å; A445-L449 PolarHBondContact O-N 3.23Å; A445-L449 VanDerWaalsContact O-N 3.09Å; A445-I501 HydrophobicContact CB-CD1 3.69Å; A445-I501 WeakPolarHBondContact O-CD1 3.28Å |
| 446 | A | 91 | Very high | 83.8 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.7 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L394 G442 F443 A450 | L394-A446 HydrophobicContact CD1-CB 3.91Å; G442-A446 PolarHBondContact O-N 3.34Å; F443-A446 PolarHBondContact O-N 3.08Å; A446-A450 PolarHBondContact O-N 3.17Å; A446-A450 VanDerWaalsContact O-N 3.09Å |
| 447 | F | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -47.8 | 179.1 | -159.4 | 174.3 | 0 | 0 | 0 | 112 | L394 L397 F409 W413 F443 C444 A445 L449 A450 L451 L490 | L394-F447 VanDerWaalsContact CD2-CA 3.49Å; L394-F447 HydrophobicContact CD2-CB 3.61Å; L394-F447 HydrophobicContact CD2-CD1 4.4Å; L394-F447 HydrophobicContact CD2-CD2 3.76Å; L394-F447 HydrophobicContact CD2-CG 3.66Å; L397-F447 HydrophobicContact CD2-CD2 4.03Å; L397-F447 HydrophobicContact CD2-CE2 3.69Å; F409-F447 AromaticContact CE1-CE2 3.9Å; F409-F447 HydrophobicContact CE1-CE2 3.9Å; F409-F447 AromaticContact CE1-CZ 3.8Å; F409-F447 HydrophobicContact CE1-CZ 3.8Å; F409-F447 HydrophobicContact CZ-CE2 4.49Å; F409-F447 HydrophobicContact CZ-CZ 4.29Å; W413-F447 HydrophobicContact CB-CE1 4.17Å; W413-F447 HydrophobicContact CB-CZ 3.94Å; W413-F447 AromaticContact CD1-CZ 3.86Å; W413-F447 AromaticContact CD2-CE1 3.41Å; W413-F447 HydrophobicContact CD2-CE1 3.41Å; W413-F447 VanDerWaalsContact CD2-CE1 3.41Å; W413-F447 AromaticContact CD2-CZ 3.82Å; W413-F447 HydrophobicContact CD2-CZ 3.82Å; W413-F447 AromaticContact CE2-CE1 3.82Å; W413-F447 HydrophobicContact CE3-CD1 4.46Å; W413-F447 AromaticContact CE3-CE1 3.58Å; W413-F447 HydrophobicContact CE3-CE1 3.58Å; W413-F447 HydrophobicContact CE3-CZ 4.4Å; W413-F447 AromaticContact CG-CE1 3.7Å; W413-F447 HydrophobicContact CG-CE1 3.7Å; W413-F447 AromaticContact CG-CZ 3.59Å; W413-F447 HydrophobicContact CG-CZ 3.59Å; W413-F447 HydrophobicContact CH2-CE1 4.38Å; W413-F447 HydrophobicContact CZ2-CE1 4.29Å; W413-F447 HydrophobicContact CZ3-CE1 4.06Å; F443-F447 HydrophobicContact CE1-CB 4.42Å; F443-F447 AromaticContact CE1-CD1 3.66Å; F443-F447 HydrophobicContact CE1-CD1 3.66Å; F443-F447 HydrophobicContact CE1-CE1 4.43Å; F443-F447 HydrophobicContact CE1-CG 4.47Å; F443-F447 HydrophobicContact CZ-CB 4.49Å; F443-F447 AromaticContact CZ-CD1 3.72Å; F443-F447 HydrophobicContact CZ-CD1 3.72Å; F443-F447 HydrophobicContact CZ-CE1 4.35Å; F443-F447 HydrophobicContact CZ-CG 4.38Å; F443-F447 WeakPolarHBondContact O-CB 3.1Å; F443-F447 PolarHBondContact O-N 3.22Å; C444-F447 PolarHBondContact O-N 3.44Å; A445-F447 VanDerWaalsContact C-N 3.28Å; A445-F447 PolarHBondContact O-N 2.86Å; F447-L449 VanDerWaalsContact C-N 3.29Å; F447-L449 PolarHBondContact O-N 3.16Å; F447-A450 PolarHBondContact O-N 3.2Å; F447-A450 VanDerWaalsContact O-N 3.13Å; F447-L451 HydrophobicContact CD2-CD1 3.87Å; F447-L451 HydrophobicContact CD2-CG 3.89Å; F447-L451 HydrophobicContact CE2-CD1 3.76Å; F447-L451 HydrophobicContact CE2-CD2 4.05Å; F447-L451 HydrophobicContact CE2-CG 3.79Å; F447-L451 HydrophobicContact CZ-CD1 4.48Å; F447-L451 PolarHBondContact O-N 3.34Å; F447-L490 HydrophobicContact CB-CD1 3.96Å; F447-L490 HydrophobicContact CB-CD2 4.48Å; F447-L490 HydrophobicContact CD1-CD1 4.06Å; F447-L490 HydrophobicContact CD1-CD2 3.9Å; F447-L490 HydrophobicContact CD2-CD1 4.39Å; F447-L490 HydrophobicContact CG-CD1 3.9Å; F447-L490 HydrophobicContact CG-CD2 4.45Å |
| 448 | G | 92.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.1 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C444 A445 A450 L451 L452 Q498 | C444-G448 PolarHBondContact O-N 3.17Å; A445-G448 PolarHBondContact O-N 3.41Å; G448-A450 PolarHBondContact O-N 3.17Å; G448-L451 PolarHBondContact O-N 3.31Å; G448-L452 PolarHBondContact O-N 3.42Å; G448-Q498 VanDerWaalsContact CA-OE1 3.31Å |
| 449 | L | 91.4 | Very high | 85.8 | Confident | 47 Ų | 47 | 36.8 Ų | 36.8 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 177.1 | -175.6 | 63.5 | 0 | 0 | 0 | 112.7 | A445 F447 L452 R453 I501 | A445-L449 PolarHBondContact O-N 3.23Å; A445-L449 VanDerWaalsContact O-N 3.09Å; F447-L449 VanDerWaalsContact C-N 3.29Å; F447-L449 PolarHBondContact O-N 3.16Å; L449-L452 PolarHBondContact O-N 3.09Å; L449-R453 WeakPolarHBondContact O-CG 3.18Å; L449-R453 PolarHBondContact O-N 3.35Å; L449-I501 HydrophobicContact CB-CG2 4.17Å; L449-I501 HydrophobicContact CD1-CG2 4.02Å |
| 450 | A | 89.7 | Confident | 85.4 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L397 A446 F447 G448 R453 K454 | L397-A450 HydrophobicContact CD2-CB 4.01Å; A446-A450 PolarHBondContact O-N 3.17Å; A446-A450 VanDerWaalsContact O-N 3.09Å; F447-A450 PolarHBondContact O-N 3.2Å; F447-A450 VanDerWaalsContact O-N 3.13Å; G448-A450 PolarHBondContact O-N 3.17Å; A450-R453 PolarHBondContact O-N 3.41Å; A450-K454 WeakPolarHBondContact O-CG 3.47Å; A450-K454 PolarHBondContact O-N 3.33Å; A450-K454 VanDerWaalsContact O-N 3.1Å |
| 451 | L | 91.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.4 | -72.7 | 169.2 | 0 | 0 | 0 | 112.2 | L397 F447 G448 R453 K454 L455 C483 L486 L487 L490 | L397-L451 HydrophobicContact CD2-CD2 3.86Å; L397-L451 HydrophobicContact CD2-CG 4.16Å; F447-L451 HydrophobicContact CD2-CD1 3.87Å; F447-L451 HydrophobicContact CD2-CG 3.89Å; F447-L451 HydrophobicContact CE2-CD1 3.76Å; F447-L451 HydrophobicContact CE2-CD2 4.05Å; F447-L451 HydrophobicContact CE2-CG 3.79Å; F447-L451 HydrophobicContact CZ-CD1 4.48Å; F447-L451 PolarHBondContact O-N 3.34Å; G448-L451 PolarHBondContact O-N 3.31Å; L451-R453 VanDerWaalsContact C-N 3.33Å; L451-R453 PolarHBondContact O-N 2.93Å; L451-K454 PolarHBondContact O-N 3.01Å; L451-L455 WeakPolarHBondContact O-CB 3.38Å; L451-L455 PolarHBondContact O-N 2.58Å; L451-C483 HydrophobicContact CD2-CB 4.38Å; L451-L486 HydrophobicContact CD1-CB 3.69Å; L451-L486 HydrophobicContact CD1-CD1 4.25Å; L451-L486 HydrophobicContact CD2-CD1 3.93Å; L451-L487 HydrophobicContact CB-CD1 4.4Å; L451-L487 HydrophobicContact CB-CD2 4.18Å; L451-L487 HydrophobicContact CB-CG 4.08Å; L451-L487 HydrophobicContact CD1-CD2 4.36Å; L451-L487 HydrophobicContact CD1-CG 4.19Å; L451-L490 HydrophobicContact CD1-CD1 3.71Å |
| 452 | L | 90.4 | Very high | 83.5 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -43.2 | 175.8 | -90 | 157.2 | 0 | 0 | 0 | 112.6 | G448 L449 K454 L455 L487 I501 V502 E505 V550 A553 | G448-L452 PolarHBondContact O-N 3.42Å; L449-L452 PolarHBondContact O-N 3.09Å; L452-K454 VanDerWaalsContact C-N 3.33Å; L452-K454 PolarHBondContact O-N 3.41Å; L452-L455 PolarHBondContact O-N 3.07Å; L452-L487 HydrophobicContact CG-CD1 4.22Å; L452-I501 HydrophobicContact CD1-CG2 3.51Å; L452-V502 HydrophobicContact CD1-CG2 3.95Å; L452-E505 HydrophobicContact CD1-CG 4.4Å; L452-V550 HydrophobicContact CD2-CG2 4.26Å; L452-A553 HydrophobicContact CD2-CB 3.63Å |
| 453 | R | 86.2 | Confident | 82.4 | Confident | 150 Ų | 150 | 34 Ų | 34 | 57% | 0.566 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -65 | -38.4 | 176.8 | -71.4 | 175.1 | -178.2 | 170.8 | 1 | 112.1 | L449 A450 L451 | L449-R453 WeakPolarHBondContact O-CG 3.18Å; L449-R453 PolarHBondContact O-N 3.35Å; A450-R453 PolarHBondContact O-N 3.41Å; L451-R453 VanDerWaalsContact C-N 3.33Å; L451-R453 PolarHBondContact O-N 2.93Å |
| 454 | K | 85.8 | Confident | 80.7 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71 | -37.3 | 178.4 | -72.3 | -71.2 | 171.3 | 175.7 | 0 | 112.6 | L397 D398 S400 A450 L451 L452 A456 L457 F458 | L397-K454 HydrophobicContact CD1-CG 4.4Å; L397-K454 HydrophobicContact CG-CG 4.39Å; L397-K454 WeakPolarHBondContact O-CE 3.44Å; L397-K454 PolarHBondContact O-NZ 3.13Å; L397-K454 VanDerWaalsContact O-NZ 3.17Å; D398-K454 PolarHBondContact O-NZ 2.91Å; S400-K454 PolarHBondContact O-NZ 3.25Å; A450-K454 WeakPolarHBondContact O-CG 3.47Å; A450-K454 PolarHBondContact O-N 3.33Å; A450-K454 VanDerWaalsContact O-N 3.1Å; L451-K454 PolarHBondContact O-N 3.01Å; L452-K454 VanDerWaalsContact C-N 3.33Å; L452-K454 PolarHBondContact O-N 3.41Å; K454-A456 VanDerWaalsContact C-N 3.29Å; K454-A456 PolarHBondContact O-N 2.95Å; K454-L457 HydrophobicContact CD-CD1 4.41Å; K454-L457 WeakPolarHBondContact O-CB 3.48Å; K454-L457 PolarHBondContact O-N 3.49Å; K454-F458 HydrophobicContact CB-CD2 4.08Å; K454-F458 HydrophobicContact CB-CE2 3.63Å; K454-F458 HydrophobicContact CB-CZ 4.36Å; K454-F458 HydrophobicContact CD-CE2 4.07Å; K454-F458 HydrophobicContact CD-CZ 3.94Å; K454-F458 HydrophobicContact CG-CE2 4.28Å; K454-F458 WeakPolarHBondContact O-CD2 3.48Å; K454-F458 WeakPolarHBondContact O-CG 3.39Å; K454-F458 PolarHBondContact O-N 2.99Å |
| 455 | L | 87 | Confident | 78.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.3 | -45.7 | 178.1 | -177 | 66 | 0 | 0 | 0 | 111.8 | L451 L452 L457 F458 E459 F474 P480 C483 L484 C549 | L451-L455 WeakPolarHBondContact O-CB 3.38Å; L451-L455 PolarHBondContact O-N 2.58Å; L452-L455 PolarHBondContact O-N 3.07Å; L455-L457 VanDerWaalsContact C-N 3.3Å; L455-L457 PolarHBondContact O-N 3.31Å; L455-F458 PolarHBondContact O-N 3.22Å; L455-E459 PolarHBondContact O-N 2.9Å; L455-F474 HydrophobicContact CD1-CE2 4.16Å; L455-F474 HydrophobicContact CD1-CZ 4.2Å; L455-P480 HydrophobicContact CD1-CB 3.66Å; L455-P480 WeakPolarHBondContact CD1-O 3.4Å; L455-C483 HydrophobicContact CD1-CB 4.12Å; L455-L484 HydrophobicContact CD1-CD2 4.43Å; L455-L484 HydrophobicContact CD1-CG 4.19Å; L455-L484 HydrophobicContact CD2-CD2 3.65Å; L455-L484 HydrophobicContact CD2-CG 4.29Å; L455-C549 HydrophobicContact CD2-CB 3.81Å; L455-C549 WeakPolarHBondContact CD2-O 3.25Å; L455-C549 HydrophobicContact CG-CB 3.99Å |
| 456 | A | 78.8 | Confident | 76.2 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -31.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K454 Q546 | K454-A456 VanDerWaalsContact C-N 3.29Å; K454-A456 PolarHBondContact O-N 2.95Å; A456-Q546 HydrophobicContact CB-CG 4.22Å |
| 457 | L | 80.7 | Confident | 74.2 | Confident | 109 Ų | 109 | 54.9 Ų | 54.9 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -74.1 | -39.9 | 176.4 | -68.8 | 168.3 | 0 | 0 | 0 | 111.7 | K454 L455 V460 | K454-L457 HydrophobicContact CD-CD1 4.41Å; K454-L457 WeakPolarHBondContact O-CB 3.48Å; K454-L457 PolarHBondContact O-N 3.49Å; L455-L457 VanDerWaalsContact C-N 3.3Å; L455-L457 PolarHBondContact O-N 3.31Å; L457-V460 WeakPolarHBondContact O-CB 3.31Å; L457-V460 PolarHBondContact O-N 3.36Å |
| 458 | F | 77.7 | Confident | 72 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -78.8 | -27 | -176.8 | -61 | -42.6 | 0 | 0 | 0 | 113.6 | C406 K454 L455 V460 A461 D462 L479 P480 | C406-F458 HydrophobicContact CB-CE2 4.25Å; C406-F458 HydrophobicContact CB-CZ 3.91Å; K454-F458 HydrophobicContact CB-CD2 4.08Å; K454-F458 HydrophobicContact CB-CE2 3.63Å; K454-F458 HydrophobicContact CB-CZ 4.36Å; K454-F458 HydrophobicContact CD-CE2 4.07Å; K454-F458 HydrophobicContact CD-CZ 3.94Å; K454-F458 HydrophobicContact CG-CE2 4.28Å; K454-F458 WeakPolarHBondContact O-CD2 3.48Å; K454-F458 WeakPolarHBondContact O-CG 3.39Å; K454-F458 PolarHBondContact O-N 2.99Å; L455-F458 PolarHBondContact O-N 3.22Å; F458-V460 PolarHBondContact O-N 3.15Å; F458-A461 PolarHBondContact O-N 2.98Å; F458-A461 VanDerWaalsContact O-N 3.15Å; F458-D462 PolarHBondContact O-N 2.97Å; F458-D462 VanDerWaalsContact O-N 3.11Å; F458-L479 HydrophobicContact CB-CD2 4.46Å; F458-L479 HydrophobicContact CD1-CD2 3.64Å; F458-L479 HydrophobicContact CD2-CD2 3.46Å; F458-L479 VanDerWaalsContact CD2-CD2 3.46Å; F458-L479 HydrophobicContact CD2-CG 3.62Å; F458-L479 HydrophobicContact CE1-CD2 3.59Å; F458-L479 HydrophobicContact CE2-CD2 3.38Å; F458-L479 HydrophobicContact CE2-CG 3.84Å; F458-L479 HydrophobicContact CG-CD2 3.6Å; F458-L479 HydrophobicContact CG-CG 4Å; F458-L479 HydrophobicContact CZ-CD2 3.48Å; F458-L479 VanDerWaalsContact CZ-CD2 3.48Å; F458-L479 HydrophobicContact CZ-CG 4.43Å; F458-P480 HydrophobicContact CB-CG 3.86Å |
| 459 | E | 75.9 | Confident | 69.6 | Low | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.028 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -29.9 | 171.6 | -174.9 | 160.5 | 158 | 0 | 0 | 111.4 | L455 E463 F474 R545 R548 C549 K552 | L455-E459 PolarHBondContact O-N 2.9Å; E459-E463 WeakPolarHBondContact O-CB 3.44Å; E459-E463 VanDerWaalsContact O-CG 3.31Å; E459-E463 WeakPolarHBondContact O-CG 3.37Å; E459-E463 PolarHBondContact O-N 2.76Å; E459-F474 HydrophobicContact CB-CE1 4.41Å; E459-F474 HydrophobicContact CG-CE1 4.13Å; E459-F474 WeakPolarHBondContact OE2-CZ 3.48Å; E459-R545 HydrophobicContact CB-CG 4.45Å; E459-R545 HydrophobicContact CG-CG 4.27Å; E459-R548 IonicContact OE1-CZ 3.89Å; E459-R548 IonicContact OE1-NE 2.69Å; E459-R548 PolarHBondContact OE1-NE 3.25Å; E459-R548 IonicContact OE1-NH2 3.34Å; E459-R548 PolarHBondContact OE1-NH2 3.41Å; E459-C549 PolarHBondContact OE2-SG 2.93Å; E459-K552 IonicContact OE1-NZ 2.99Å; E459-K552 PolarHBondContact OE1-NZ 3.16Å; E459-K552 VanDerWaalsContact OE1-NZ 3.14Å; E459-K552 IonicContact OE2-NZ 2.65Å; E459-K552 PolarHBondContact OE2-NZ 3.47Å |
| 460 | V | 70.3 | Confident | 67.6 | Low | 47 Ų | 47 | 66.4 Ų | 66.4 | 29% | 0.285 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 174.2 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | L457 F458 D462 E463 D464 | L457-V460 WeakPolarHBondContact O-CB 3.31Å; L457-V460 PolarHBondContact O-N 3.36Å; F458-V460 PolarHBondContact O-N 3.15Å; V460-D462 VanDerWaalsContact C-N 3.28Å; V460-D462 PolarHBondContact O-N 2.9Å; V460-E463 PolarHBondContact O-N 2.87Å; V460-D464 PolarHBondContact O-N 3.47Å |
| 461 | A | 60.9 | Low | 65.9 | Low | 45 Ų | 45 | 67 Ų | 67 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -33 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F458 | F458-A461 PolarHBondContact O-N 2.98Å; F458-A461 VanDerWaalsContact O-N 3.15Å |
| 462 | D | 60.4 | Low | 64.2 | Low | 60 Ų | 60 | 74 Ų | 74 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -75.5 | -32.1 | 175.4 | -117.8 | 24 | 0 | 0 | 0 | 112.3 | F458 V460 D464 D465 S478 | F458-D462 PolarHBondContact O-N 2.97Å; F458-D462 VanDerWaalsContact O-N 3.11Å; V460-D462 VanDerWaalsContact C-N 3.28Å; V460-D462 PolarHBondContact O-N 2.9Å; D462-D464 VanDerWaalsContact C-N 3.3Å; D462-D465 PolarHBondContact O-N 2.78Å; D462-D465 VanDerWaalsContact O-O 3.06Å; D462-S478 VanDerWaalsContact OD2-CB 3.24Å; D462-S478 WeakPolarHBondContact OD2-CB 3.41Å |
| 463 | E | 61.7 | Low | 62.7 | Low | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.4 | -25.9 | 176 | -80.2 | 175.8 | 174 | 0 | 0 | 112.7 | E459 V460 R548 | E459-E463 WeakPolarHBondContact O-CB 3.44Å; E459-E463 VanDerWaalsContact O-CG 3.31Å; E459-E463 WeakPolarHBondContact O-CG 3.37Å; E459-E463 PolarHBondContact O-N 2.76Å; V460-E463 PolarHBondContact O-N 2.87Å; E463-R548 IonicContact OE1-CZ 2.86Å; E463-R548 IonicContact OE1-NH2 2.97Å; E463-R548 PolarHBondContact OE1-NH2 2.96Å; E463-R548 IonicContact OE2-NH2 3.89Å |
| 464 | D | 51.5 | Low | 61.2 | Low | 139 Ų | 139 | 69.9 Ų | 69.9 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -77.6 | -23.3 | 176.5 | -74.5 | -29.7 | 0 | 0 | 0 | 112.7 | V460 D462 | V460-D464 PolarHBondContact O-N 3.47Å; D462-D464 VanDerWaalsContact C-N 3.3Å |
| 465 | D | 43.7 | Very low | 59.8 | Low | 118 Ų | 118 | 73.3 Ų | 73.3 | 63% | 0.631 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -85.9 | 142.4 | 169.9 | -77.3 | -32.2 | 0 | 0 | 0 | 109.2 | D462 | D462-D465 PolarHBondContact O-N 2.78Å; D462-D465 VanDerWaalsContact O-O 3.06Å |
| 466 | E | 42.2 | Very low | 58.4 | Low | 187 Ų | 187 | 78.9 Ų | 78.9 | 87% | 0.874 | 43% | 0.428 | S | S | * | . | trans | -35.8 | 132.1 | -164.8 | -76.8 | -167.8 | 159.1 | 0 | 0 | 115.1 | A468 | E466-A468 PolarHBondContact O-N 2.95Š| ||
| 467 | P | 48.3 | Very low | 57.9 | Low | 88 Ų | 88 | 79.8 Ų | 79.8 | 57% | 0.571 | 44% | 0.439 | S | S | * | . | trans | -62.9 | 105.9 | -171.8 | 25 | -33.7 | 0 | 0 | 0 | 110.2 | E469 | P467-E469 PolarHBondContact O-N 3.19Š| ||
| 468 | A | 46.4 | Very low | 57.8 | Low | 38 Ų | 38 | 75 Ų | 75 | 31% | 0.314 | 42% | 0.415 | S | S | . | . | trans | -49.7 | 125.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E466 T470 K664 | E466-A468 PolarHBondContact O-N 2.95Å; A468-T470 PolarHBondContact O-N 3.38Å; A468-K664 WeakPolarHBondContact O-CE 3.48Å; A468-K664 PolarHBondContact O-NZ 3.15Å | ||
| 469 | E | 41.6 | Very low | 58 | Low | 176 Ų | 176 | 74.5 Ų | 74.5 | 82% | 0.822 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -68.9 | -13.5 | 174.5 | -68 | -171.6 | 158 | 0 | 0 | 111.4 | P467 | P467-E469 PolarHBondContact O-N 3.19Š|
| 470 | T | 48.5 | Very low | 58.5 | Low | 76 Ų | 76 | 74.2 Ų | 74.2 | 47% | 0.466 | 41% | 0.411 | S | S | . | . | trans | -90.3 | 134.3 | -178.5 | 35.4 | 0 | 0 | 0 | 0 | 112.6 | A468 E472 | A468-T470 PolarHBondContact O-N 3.38Å; T470-E472 VanDerWaalsContact C-N 3.31Å | ||
| 471 | I | 54.3 | Low | 59.1 | Low | 23 Ų | 23 | 75.7 Ų | 75.7 | 12% | 0.118 | 41% | 0.412 | C | S | . | . | trans | -85.3 | -2.4 | 178.8 | -73.8 | -177.8 | 0 | 0 | 0 | 113.6 | W473 L615 K664 Q667 A668 L671 | I471-W473 PolarHBondContact O-N 2.75Å; I471-L615 HydrophobicContact CG2-CD1 3.27Å; I471-L615 HydrophobicContact CG2-CD2 3.89Å; I471-L615 HydrophobicContact CG2-CG 4.15Å; I471-K664 HydrophobicContact CD1-CB 4.4Å; I471-K664 WeakPolarHBondContact CD1-O 3.5Å; I471-Q667 HydrophobicContact CD1-CB 3.36Å; I471-Q667 VanDerWaalsContact CD1-CD 3.46Å; I471-Q667 HydrophobicContact CD1-CG 3.5Å; I471-Q667 HydrophobicContact CG1-CB 4.48Å; I471-Q667 HydrophobicContact CG1-CG 4.3Å; I471-A668 HydrophobicContact CD1-CB 4.11Å; I471-A668 VanDerWaalsContact CD1-N 3.32Å; I471-L671 HydrophobicContact CB-CD1 4.49Å; I471-L671 HydrophobicContact CG2-CD1 4.09Å | ||
| 472 | E | 56.7 | Low | 60.4 | Low | 147 Ų | 147 | 75.3 Ų | 75.3 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -54.8 | 132.3 | 171.4 | -64.6 | -162 | 159.3 | 0 | 0 | 108.6 | T470 F474 | T470-E472 VanDerWaalsContact C-N 3.31Å; E472-F474 WeakPolarHBondContact O-CA 2.99Å; E472-F474 PolarHBondContact O-N 3.34Å |
| 473 | W | 58.6 | Low | 61.8 | Low | 54 Ų | 54 | 72.5 Ų | 72.5 | 21% | 0.205 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -45.1 | -35.7 | -162.1 | -69 | 79.2 | 0 | 0 | 0 | 113 | I471 I551 K552 C555 T612 L615 S619 | I471-W473 PolarHBondContact O-N 2.75Å; W473-I551 HydrophobicContact CH2-CG2 4.42Å; W473-K552 HydrophobicContact CE3-CB 3.38Å; W473-K552 HydrophobicContact CE3-CD 3.74Å; W473-K552 HydrophobicContact CE3-CG 3.33Å; W473-K552 HydrophobicContact CZ3-CB 3.53Å; W473-K552 HydrophobicContact CZ3-CD 4.33Å; W473-K552 HydrophobicContact CZ3-CG 3.47Å; W473-K552 VanDerWaalsContact CZ3-CG 3.47Å; W473-C555 HydrophobicContact CH2-CB 3.64Å; W473-C555 WeakPolarHBondContact CH2-SG 3.44Å; W473-C555 HydrophobicContact CZ2-CB 3.71Å; W473-C555 HydrophobicContact CZ3-CB 4.27Å; W473-T612 HydrophobicContact CE3-CG2 4.49Å; W473-T612 HydrophobicContact CH2-CG2 4.23Å; W473-T612 HydrophobicContact CZ3-CG2 3.64Å; W473-L615 HydrophobicContact CH2-CB 4.18Å; W473-L615 HydrophobicContact CZ2-CB 3.83Å; W473-S619 WeakPolarHBondContact CZ2-OG 3.32Å |
| 474 | F | 54 | Low | 63.1 | Low | 21 Ų | 21 | 68.2 Ų | 68.2 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -157.8 | 165.8 | 161 | -54.5 | -85 | 0 | 0 | 0 | 110.2 | L455 E459 E472 S478 P480 R481 L484 K552 | L455-F474 HydrophobicContact CD1-CE2 4.16Å; L455-F474 HydrophobicContact CD1-CZ 4.2Å; E459-F474 HydrophobicContact CB-CE1 4.41Å; E459-F474 HydrophobicContact CG-CE1 4.13Å; E459-F474 WeakPolarHBondContact OE2-CZ 3.48Å; E472-F474 WeakPolarHBondContact O-CA 2.99Å; E472-F474 PolarHBondContact O-N 3.34Å; F474-S478 WeakPolarHBondContact CB-OG 3.23Å; F474-P480 HydrophobicContact CD1-CB 3.51Å; F474-P480 HydrophobicContact CD1-CG 3.98Å; F474-P480 HydrophobicContact CD2-CB 3.68Å; F474-P480 HydrophobicContact CE1-CB 3.34Å; F474-P480 HydrophobicContact CE1-CG 3.85Å; F474-P480 HydrophobicContact CE2-CB 3.5Å; F474-P480 HydrophobicContact CG-CB 3.66Å; F474-P480 HydrophobicContact CG-CG 4.5Å; F474-P480 HydrophobicContact CZ-CB 3.32Å; F474-P480 HydrophobicContact CZ-CG 4.25Å; F474-R481 HydrophobicContact CB-CB 4.08Å; F474-L484 HydrophobicContact CD2-CD1 3.84Å; F474-L484 HydrophobicContact CE2-CD1 3.57Å; F474-L484 HydrophobicContact CE2-CG 4.3Å; F474-K552 HydrophobicContact CD2-CD 4.39Å; F474-K552 HydrophobicContact CE1-CD 4.37Å; F474-K552 HydrophobicContact CE2-CD 3.38Å; F474-K552 HydrophobicContact CZ-CD 3.38Å |
| 475 | D | 57.4 | Low | 64.9 | Low | 85 Ų | 85 | 65.2 Ų | 65.2 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -61.7 | 150.2 | 175.6 | -76.4 | -16.7 | 0 | 0 | 0 | 112.5 | G477 S478 | D475-G477 PolarHBondContact O-N 2.76Å; D475-S478 WeakPolarHBondContact O-CB 3.34Å; D475-S478 PolarHBondContact O-N 2.96Å; D475-S478 PolarHBondContact O-OG 3.38Å | ||
| 476 | S | 57.5 | Low | 67.1 | Low | 117 Ų | 117 | 59.7 Ų | 59.7 | 82% | 0.818 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -2.7 | -173.4 | 57.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 477 | G | 68 | Low | 69.5 | Low | 35 Ų | 35 | 50.8 Ų | 50.8 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 4.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | R407 D475 | R407-G477 PolarHBondContact NH2-O 2.85Å; D475-G477 PolarHBondContact O-N 2.76Å |
| 478 | S | 79 | Confident | 71.5 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | trans | -73.1 | 145.5 | -178.4 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | D462 F474 D475 R481 F482 | D462-S478 VanDerWaalsContact OD2-CB 3.24Å; D462-S478 WeakPolarHBondContact OD2-CB 3.41Å; F474-S478 WeakPolarHBondContact CB-OG 3.23Å; D475-S478 WeakPolarHBondContact O-CB 3.34Å; D475-S478 PolarHBondContact O-N 2.96Å; D475-S478 PolarHBondContact O-OG 3.38Å; S478-R481 WeakPolarHBondContact O-CB 3.47Å; S478-R481 PolarHBondContact O-N 3.16Å; S478-R481 VanDerWaalsContact OG-CB 3.25Å; S478-R481 WeakPolarHBondContact OG-CB 3.45Å; S478-R481 PolarHBondContact OG-N 3.04Å; S478-F482 WeakPolarHBondContact O-CD2 3.28Å; S478-F482 PolarHBondContact O-N 2.79Å | ||
| 479 | L | 82 | Confident | 73.6 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 179.1 | -175.8 | 59.4 | 0 | 0 | 0 | 113.6 | V403 C406 R407 F458 R481 F482 C483 | V403-L479 HydrophobicContact CB-CD2 4.26Å; V403-L479 HydrophobicContact CG1-CB 4.14Å; V403-L479 HydrophobicContact CG1-CD2 3.86Å; V403-L479 HydrophobicContact CG2-CD2 4.46Å; C406-L479 HydrophobicContact CB-CD1 4.04Å; C406-L479 HydrophobicContact CB-CD2 3.66Å; C406-L479 HydrophobicContact CB-CG 4.47Å; R407-L479 HydrophobicContact CB-CD1 4.16Å; F458-L479 HydrophobicContact CB-CD2 4.46Å; F458-L479 HydrophobicContact CD1-CD2 3.64Å; F458-L479 HydrophobicContact CD2-CD2 3.46Å; F458-L479 VanDerWaalsContact CD2-CD2 3.46Å; F458-L479 HydrophobicContact CD2-CG 3.62Å; F458-L479 HydrophobicContact CE1-CD2 3.59Å; F458-L479 HydrophobicContact CE2-CD2 3.38Å; F458-L479 HydrophobicContact CE2-CG 3.84Å; F458-L479 HydrophobicContact CG-CD2 3.6Å; F458-L479 HydrophobicContact CG-CG 4Å; F458-L479 HydrophobicContact CZ-CD2 3.48Å; F458-L479 VanDerWaalsContact CZ-CD2 3.48Å; F458-L479 HydrophobicContact CZ-CG 4.43Å; L479-R481 VanDerWaalsContact C-N 3.25Å; L479-R481 PolarHBondContact O-N 3.43Å; L479-F482 HydrophobicContact CD1-CB 4.48Å; L479-F482 PolarHBondContact O-N 3.3Å; L479-F482 VanDerWaalsContact O-N 3.16Å; L479-C483 PolarHBondContact O-N 3.31Å |
| 480 | P | 85.6 | Confident | 75.9 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.4 | -38.6 | 171.8 | -28.2 | 36.7 | 0 | 0 | 0 | 113.5 | L455 F458 F474 C483 L484 | L455-P480 HydrophobicContact CD1-CB 3.66Å; L455-P480 WeakPolarHBondContact CD1-O 3.4Å; F458-P480 HydrophobicContact CB-CG 3.86Å; F474-P480 HydrophobicContact CD1-CB 3.51Å; F474-P480 HydrophobicContact CD1-CG 3.98Å; F474-P480 HydrophobicContact CD2-CB 3.68Å; F474-P480 HydrophobicContact CE1-CB 3.34Å; F474-P480 HydrophobicContact CE1-CG 3.85Å; F474-P480 HydrophobicContact CE2-CB 3.5Å; F474-P480 HydrophobicContact CG-CB 3.66Å; F474-P480 HydrophobicContact CG-CG 4.5Å; F474-P480 HydrophobicContact CZ-CB 3.32Å; F474-P480 HydrophobicContact CZ-CG 4.25Å; P480-C483 PolarHBondContact O-N 3.39Å; P480-L484 PolarHBondContact O-N 3.06Å; P480-L484 VanDerWaalsContact O-N 3.08Å |
| 481 | R | 84.1 | Confident | 77.9 | Confident | 78 Ų | 78 | 35 Ų | 35 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 175 | -177.2 | 62.2 | -167 | 160.6 | 5.9 | 111.7 | F474 S478 L479 C483 L484 E485 | F474-R481 HydrophobicContact CB-CB 4.08Å; S478-R481 WeakPolarHBondContact O-CB 3.47Å; S478-R481 PolarHBondContact O-N 3.16Å; S478-R481 VanDerWaalsContact OG-CB 3.25Å; S478-R481 WeakPolarHBondContact OG-CB 3.45Å; S478-R481 PolarHBondContact OG-N 3.04Å; L479-R481 VanDerWaalsContact C-N 3.25Å; L479-R481 PolarHBondContact O-N 3.43Å; R481-C483 VanDerWaalsContact C-N 3.31Å; R481-C483 PolarHBondContact O-N 2.91Å; R481-L484 WeakPolarHBondContact O-CB 3.34Å; R481-L484 PolarHBondContact O-N 3.38Å; R481-L484 VanDerWaalsContact O-N 3.14Å; R481-E485 IonicContact CZ-OE1 3.35Å; R481-E485 VanDerWaalsContact CZ-OE1 3.24Å; R481-E485 IonicContact NE-OE1 3.47Å; R481-E485 PolarHBondContact NE-OE1 2.94Å; R481-E485 IonicContact NH2-OE1 2.69Å; R481-E485 PolarHBondContact NH2-OE1 3.45Å; R481-E485 WeakPolarHBondContact O-CG 3.28Å; R481-E485 PolarHBondContact O-N 3.48Å |
| 482 | F | 86.4 | Confident | 79.4 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 177.5 | -77 | -71.4 | 0 | 0 | 0 | 112.5 | R407 C410 E411 S478 L479 L484 E485 L486 | R407-F482 HydrophobicContact CG-CD2 4.26Å; R407-F482 HydrophobicContact CG-CE2 4.08Å; C410-F482 HydrophobicContact CB-CB 3.96Å; E411-F482 HydrophobicContact CG-CE1 4.18Å; S478-F482 WeakPolarHBondContact O-CD2 3.28Å; S478-F482 PolarHBondContact O-N 2.79Å; L479-F482 HydrophobicContact CD1-CB 4.48Å; L479-F482 PolarHBondContact O-N 3.3Å; L479-F482 VanDerWaalsContact O-N 3.16Å; F482-L484 VanDerWaalsContact C-N 3.34Å; F482-L484 PolarHBondContact O-N 2.89Å; F482-E485 PolarHBondContact O-N 2.82Å; F482-L486 PolarHBondContact O-N 3.29Å |
| 483 | C | 89.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 174.5 | -68.9 | 0 | 0 | 0 | 0 | 112 | L451 L455 L479 P480 R481 L487 | L451-C483 HydrophobicContact CD2-CB 4.38Å; L455-C483 HydrophobicContact CD1-CB 4.12Å; L479-C483 PolarHBondContact O-N 3.31Å; P480-C483 PolarHBondContact O-N 3.39Å; R481-C483 VanDerWaalsContact C-N 3.31Å; R481-C483 PolarHBondContact O-N 2.91Å; C483-L487 WeakPolarHBondContact O-CG 3.18Å; C483-L487 PolarHBondContact O-N 3.4Å |
| 484 | L | 89.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.6 | -75.3 | -174.3 | 0 | 0 | 0 | 112.9 | L455 F474 P480 R481 F482 L487 A488 K552 A553 | L455-L484 HydrophobicContact CD1-CD2 4.43Å; L455-L484 HydrophobicContact CD1-CG 4.19Å; L455-L484 HydrophobicContact CD2-CD2 3.65Å; L455-L484 HydrophobicContact CD2-CG 4.29Å; F474-L484 HydrophobicContact CD2-CD1 3.84Å; F474-L484 HydrophobicContact CE2-CD1 3.57Å; F474-L484 HydrophobicContact CE2-CG 4.3Å; P480-L484 PolarHBondContact O-N 3.06Å; P480-L484 VanDerWaalsContact O-N 3.08Å; R481-L484 WeakPolarHBondContact O-CB 3.34Å; R481-L484 PolarHBondContact O-N 3.38Å; R481-L484 VanDerWaalsContact O-N 3.14Å; F482-L484 VanDerWaalsContact C-N 3.34Å; F482-L484 PolarHBondContact O-N 2.89Å; L484-L487 HydrophobicContact CD2-CD1 4.38Å; L484-L487 PolarHBondContact O-N 3.4Å; L484-A488 PolarHBondContact O-N 3.3Å; L484-K552 HydrophobicContact CD1-CB 3.89Å; L484-K552 HydrophobicContact CD2-CB 4.12Å; L484-A553 HydrophobicContact CD2-CB 4.22Å |
| 485 | E | 89.1 | Confident | 83.7 | Confident | 76 Ų | 76 | 30.5 Ų | 30.5 | 36% | 0.355 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.8 | -42 | 176.2 | -73.2 | 178.3 | 176.2 | 0 | 0 | 111.6 | R481 F482 A488 L489 | R481-E485 IonicContact CZ-OE1 3.35Å; R481-E485 VanDerWaalsContact CZ-OE1 3.24Å; R481-E485 IonicContact NE-OE1 3.47Å; R481-E485 PolarHBondContact NE-OE1 2.94Å; R481-E485 IonicContact NH2-OE1 2.69Å; R481-E485 PolarHBondContact NH2-OE1 3.45Å; R481-E485 WeakPolarHBondContact O-CG 3.28Å; R481-E485 PolarHBondContact O-N 3.48Å; F482-E485 PolarHBondContact O-N 2.82Å; E485-A488 WeakPolarHBondContact O-CB 3.45Å; E485-A488 PolarHBondContact O-N 3.42Å; E485-L489 WeakPolarHBondContact O-CG 3.36Å; E485-L489 PolarHBondContact O-N 3.37Å |
| 486 | L | 91 | Very high | 85.1 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 172.8 | -81.4 | 177.8 | 0 | 0 | 0 | 113.3 | C410 W413 A414 L417 L451 F482 A488 L489 L490 | C410-L486 HydrophobicContact CB-CD1 3.55Å; C410-L486 HydrophobicContact CB-CG 4.39Å; C410-L486 VanDerWaalsContact SG-CD1 3.58Å; W413-L486 HydrophobicContact CB-CD1 4.46Å; W413-L486 HydrophobicContact CB-CD2 3.76Å; A414-L486 HydrophobicContact CB-CD2 4.14Å; L417-L486 HydrophobicContact CD1-CD2 3.89Å; L451-L486 HydrophobicContact CD1-CB 3.69Å; L451-L486 HydrophobicContact CD1-CD1 4.25Å; L451-L486 HydrophobicContact CD2-CD1 3.93Å; F482-L486 PolarHBondContact O-N 3.29Å; L486-A488 VanDerWaalsContact C-N 3.27Å; L486-A488 PolarHBondContact O-N 3.38Å; L486-L489 HydrophobicContact CD2-CD1 4.48Å; L486-L489 PolarHBondContact O-N 3.24Å; L486-L490 WeakPolarHBondContact O-CB 3.46Å; L486-L490 WeakPolarHBondContact O-CG 3.4Å; L486-L490 PolarHBondContact O-N 2.89Å |
| 487 | L | 91.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 174.4 | -80.4 | 166.6 | 0 | 0 | 0 | 111.1 | L451 L452 C483 L484 L490 A491 A553 | L451-L487 HydrophobicContact CB-CD1 4.4Å; L451-L487 HydrophobicContact CB-CD2 4.18Å; L451-L487 HydrophobicContact CB-CG 4.08Å; L451-L487 HydrophobicContact CD1-CD2 4.36Å; L451-L487 HydrophobicContact CD1-CG 4.19Å; L452-L487 HydrophobicContact CG-CD1 4.22Å; C483-L487 WeakPolarHBondContact O-CG 3.18Å; C483-L487 PolarHBondContact O-N 3.4Å; L484-L487 HydrophobicContact CD2-CD1 4.38Å; L484-L487 PolarHBondContact O-N 3.4Å; L487-L490 PolarHBondContact O-N 2.88Å; L487-A491 WeakPolarHBondContact O-CB 3.32Å; L487-A491 PolarHBondContact O-N 3.39Å; L487-A553 HydrophobicContact CD1-CB 4.11Å |
| 488 | A | 89.7 | Confident | 87.7 | Confident | 25 Ų | 25 | 24.6 Ų | 24.6 | 21% | 0.207 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L484 E485 L486 A491 R492 C556 | L484-A488 PolarHBondContact O-N 3.3Å; E485-A488 WeakPolarHBondContact O-CB 3.45Å; E485-A488 PolarHBondContact O-N 3.42Å; L486-A488 VanDerWaalsContact C-N 3.27Å; L486-A488 PolarHBondContact O-N 3.38Å; A488-A491 WeakPolarHBondContact O-CB 3.47Å; A488-A491 PolarHBondContact O-N 3.09Å; A488-R492 PolarHBondContact O-N 2.91Å; A488-C556 HydrophobicContact CB-CB 4.37Å |
| 489 | L | 90.9 | Very high | 88.3 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 11% | 0.11 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 175.3 | -69.7 | 173.4 | 0 | 0 | 0 | 111.9 | A414 L417 D418 I421 E485 L486 A491 R492 V493 | A414-L489 HydrophobicContact CB-CD1 3.95Å; L417-L489 HydrophobicContact CB-CB 3.98Å; L417-L489 HydrophobicContact CB-CD1 4.36Å; L417-L489 HydrophobicContact CD1-CB 3.79Å; D418-L489 WeakPolarHBondContact OD1-CD2 3.44Å; I421-L489 HydrophobicContact CD1-CB 4.34Å; I421-L489 HydrophobicContact CD1-CD2 3.74Å; E485-L489 WeakPolarHBondContact O-CG 3.36Å; E485-L489 PolarHBondContact O-N 3.37Å; L486-L489 HydrophobicContact CD2-CD1 4.48Å; L486-L489 PolarHBondContact O-N 3.24Å; L489-A491 PolarHBondContact O-N 3.48Å; L489-R492 WeakPolarHBondContact O-CB 3.4Å; L489-R492 PolarHBondContact O-N 2.65Å; L489-R492 VanDerWaalsContact O-N 3.13Å; L489-V493 PolarHBondContact O-N 3.27Å |
| 490 | L | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -36.2 | 173.5 | -74 | 172.6 | 0 | 0 | 0 | 111.7 | L417 F447 L451 L486 L487 R492 V493 D494 Q498 | L417-L490 HydrophobicContact CD1-CD2 3.82Å; L417-L490 HydrophobicContact CD1-CG 3.85Å; L417-L490 HydrophobicContact CD2-CD2 3.85Å; F447-L490 HydrophobicContact CB-CD1 3.96Å; F447-L490 HydrophobicContact CB-CD2 4.48Å; F447-L490 HydrophobicContact CD1-CD1 4.06Å; F447-L490 HydrophobicContact CD1-CD2 3.9Å; F447-L490 HydrophobicContact CD2-CD1 4.39Å; F447-L490 HydrophobicContact CG-CD1 3.9Å; F447-L490 HydrophobicContact CG-CD2 4.45Å; L451-L490 HydrophobicContact CD1-CD1 3.71Å; L486-L490 WeakPolarHBondContact O-CB 3.46Å; L486-L490 WeakPolarHBondContact O-CG 3.4Å; L486-L490 PolarHBondContact O-N 2.89Å; L487-L490 PolarHBondContact O-N 2.88Å; L490-R492 VanDerWaalsContact C-N 3.33Å; L490-V493 PolarHBondContact O-N 3.36Å; L490-V493 VanDerWaalsContact O-N 3.15Å; L490-D494 PolarHBondContact O-N 3.04Å; L490-Q498 HydrophobicContact CB-CG 3.98Å |
| 491 | A | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68 | -31.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L487 A488 L489 V493 I495 Q498 L557 P560 | L487-A491 WeakPolarHBondContact O-CB 3.32Å; L487-A491 PolarHBondContact O-N 3.39Å; A488-A491 WeakPolarHBondContact O-CB 3.47Å; A488-A491 PolarHBondContact O-N 3.09Å; L489-A491 PolarHBondContact O-N 3.48Å; A491-V493 VanDerWaalsContact C-N 3.27Å; A491-V493 PolarHBondContact O-N 3.32Å; A491-I495 HydrophobicContact CB-CD1 3.81Å; A491-I495 VanDerWaalsContact O-CA 3.26Å; A491-I495 WeakPolarHBondContact O-CA 3.35Å; A491-I495 WeakPolarHBondContact O-CB 3.32Å; A491-I495 PolarHBondContact O-N 2.68Å; A491-Q498 HydrophobicContact CB-CB 4.06Å; A491-Q498 HydrophobicContact CB-CG 3.96Å; A491-L557 HydrophobicContact CB-CD2 3.51Å; A491-P560 HydrophobicContact CB-CG 4.21Å |
| 492 | R | 86.5 | Confident | 89.6 | Confident | 96 Ų | 96 | 29.5 Ų | 29.5 | 36% | 0.362 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.2 | -28.3 | 170.7 | -69.1 | 179.5 | 67.7 | -171.2 | 3.1 | 112.7 | I421 E425 A488 L489 L490 P560 | I421-R492 HydrophobicContact CD1-CB 3.78Å; I421-R492 HydrophobicContact CG1-CB 4.14Å; I421-R492 VanDerWaalsContact CG2-NH2 3.33Å; E425-R492 IonicContact OE1-CZ 3.33Å; E425-R492 IonicContact OE1-NH2 3.93Å; E425-R492 PolarHBondContact OE1-NH2 2.92Å; A488-R492 PolarHBondContact O-N 2.91Å; L489-R492 WeakPolarHBondContact O-CB 3.4Å; L489-R492 PolarHBondContact O-N 2.65Å; L489-R492 VanDerWaalsContact O-N 3.13Å; L490-R492 VanDerWaalsContact C-N 3.33Å; R492-P560 HydrophobicContact CG-CB 4.08Å; R492-P560 HydrophobicContact CG-CG 3.9Å |
| 493 | V | 85.8 | Confident | 90 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -81.7 | -48.3 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | L417 V420 I421 M424 L439 L489 L490 A491 | L417-V493 HydrophobicContact CD2-CG2 4.14Å; V420-V493 HydrophobicContact CG1-CG1 4.39Å; V420-V493 HydrophobicContact CG1-CG2 4.09Å; I421-V493 HydrophobicContact CD1-CG2 4.3Å; I421-V493 HydrophobicContact CG1-CG2 3.72Å; M424-V493 HydrophobicContact SD-CB 4.49Å; M424-V493 HydrophobicContact SD-CG1 4Å; M424-V493 HydrophobicContact SD-CG2 4.42Å; L439-V493 HydrophobicContact CD1-CG1 4.11Å; L489-V493 PolarHBondContact O-N 3.27Å; L490-V493 PolarHBondContact O-N 3.36Å; L490-V493 VanDerWaalsContact O-N 3.15Å; A491-V493 VanDerWaalsContact C-N 3.27Å; A491-V493 PolarHBondContact O-N 3.32Å |
| 494 | D | 86.8 | Confident | 90.2 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 23% | 0.225 | 15% | 0.154 | C | C | . | . | trans | -146.6 | 85.2 | 179.3 | -177.9 | 1.2 | 0 | 0 | 0 | 111.5 | C444 L490 N496 S497 Q498 | C444-D494 HydrophobicContact CB-CB 4.13Å; L490-D494 PolarHBondContact O-N 3.04Å; D494-N496 VanDerWaalsContact C-N 3.27Å; D494-N496 PolarHBondContact O-N 2.97Å; D494-N496 PolarHBondContact OD1-N 3.23Å; D494-S497 PolarHBondContact OD1-N 3.11Å; D494-S497 VanDerWaalsContact OD1-N 3.13Å; D494-S497 WeakPolarHBondContact OD2-CB 3.44Å; D494-S497 PolarHBondContact OD2-OG 3.08Å; D494-Q498 WeakPolarHBondContact O-CG 3.49Å; D494-Q498 PolarHBondContact O-N 3.33Å | ||
| 495 | I | 85.9 | Confident | 90.5 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -33.3 | 180 | -170.6 | 60.4 | 0 | 0 | 0 | 112.7 | A491 Q498 W499 L557 F561 W564 | A491-I495 HydrophobicContact CB-CD1 3.81Å; A491-I495 VanDerWaalsContact O-CA 3.26Å; A491-I495 WeakPolarHBondContact O-CA 3.35Å; A491-I495 WeakPolarHBondContact O-CB 3.32Å; A491-I495 PolarHBondContact O-N 2.68Å; I495-Q498 PolarHBondContact O-N 2.92Å; I495-W499 WeakPolarHBondContact O-CB 3.39Å; I495-W499 PolarHBondContact O-N 3.34Å; I495-L557 HydrophobicContact CD1-CD2 4.45Å; I495-F561 HydrophobicContact CD1-CE1 3.78Å; I495-F561 HydrophobicContact CD1-CZ 4.02Å; I495-F561 HydrophobicContact CG1-CE1 3.8Å; I495-F561 HydrophobicContact CG1-CZ 4.45Å; I495-W564 HydrophobicContact CG2-CE3 3.97Å; I495-W564 HydrophobicContact CG2-CH2 3.82Å; I495-W564 HydrophobicContact CG2-CZ3 3.4Å |
| 496 | N | 86.7 | Confident | 90.8 | Very high | 81 Ų | 81 | 28 Ų | 28 | 43% | 0.433 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.7 | -46.5 | -175.6 | -73.3 | -46.8 | 0 | 0 | 0 | 110.6 | D494 H500 R572 | D494-N496 VanDerWaalsContact C-N 3.27Å; D494-N496 PolarHBondContact O-N 2.97Å; D494-N496 PolarHBondContact OD1-N 3.23Å; N496-H500 WeakPolarHBondContact O-CB 3.45Å; N496-H500 PolarHBondContact O-N 3.3Å; N496-R572 PolarHBondContact OD1-NH1 3.49Å |
| 497 | S | 89.2 | Confident | 91 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 21% | 0.21 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 175.1 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | D494 W499 H500 I501 | D494-S497 PolarHBondContact OD1-N 3.11Å; D494-S497 VanDerWaalsContact OD1-N 3.13Å; D494-S497 WeakPolarHBondContact OD2-CB 3.44Å; D494-S497 PolarHBondContact OD2-OG 3.08Å; S497-W499 PolarHBondContact O-N 2.82Å; S497-H500 PolarHBondContact O-N 3Å; S497-I501 WeakPolarHBondContact O-CD1 3.24Å; S497-I501 WeakPolarHBondContact O-CG1 3.13Å; S497-I501 PolarHBondContact O-N 2.99Å; S497-I501 VanDerWaalsContact O-N 3.1Å |
| 498 | Q | 91.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | -179.3 | -63.9 | -40.1 | -60.5 | 0 | 0 | 112.1 | C444 G448 L490 A491 D494 I495 H500 I501 V502 L557 | C444-Q498 VanDerWaalsContact C-NE2 3.27Å; C444-Q498 PolarHBondContact O-NE2 3.14Å; G448-Q498 VanDerWaalsContact CA-OE1 3.31Å; L490-Q498 HydrophobicContact CB-CG 3.98Å; A491-Q498 HydrophobicContact CB-CB 4.06Å; A491-Q498 HydrophobicContact CB-CG 3.96Å; D494-Q498 WeakPolarHBondContact O-CG 3.49Å; D494-Q498 PolarHBondContact O-N 3.33Å; I495-Q498 PolarHBondContact O-N 2.92Å; Q498-H500 PolarHBondContact O-N 3.38Å; Q498-I501 PolarHBondContact O-N 3.2Å; Q498-V502 WeakPolarHBondContact O-CB 3.08Å; Q498-V502 VanDerWaalsContact O-CG2 3.32Å; Q498-V502 WeakPolarHBondContact O-CG2 3.36Å; Q498-V502 PolarHBondContact O-N 3.22Å; Q498-L557 HydrophobicContact CB-CD2 4.18Å |
| 499 | W | 91.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 176.9 | -175.7 | -90.1 | 0 | 0 | 0 | 111.3 | I495 S497 I501 V502 M503 L557 F561 R572 F576 | I495-W499 WeakPolarHBondContact O-CB 3.39Å; I495-W499 PolarHBondContact O-N 3.34Å; S497-W499 PolarHBondContact O-N 2.82Å; W499-I501 VanDerWaalsContact C-N 3.29Å; W499-I501 PolarHBondContact O-N 2.97Å; W499-V502 PolarHBondContact O-N 3.47Å; W499-M503 HydrophobicContact CD2-CE 4.1Å; W499-M503 HydrophobicContact CD2-CG 3.94Å; W499-M503 HydrophobicContact CE3-CE 3.89Å; W499-M503 HydrophobicContact CG-CG 4.15Å; W499-M503 HydrophobicContact CH2-CE 3.51Å; W499-M503 HydrophobicContact CH2-SD 4.35Å; W499-M503 HydrophobicContact CZ2-CE 3.69Å; W499-M503 HydrophobicContact CZ2-CG 3.91Å; W499-M503 HydrophobicContact CZ2-SD 3.97Å; W499-M503 HydrophobicContact CZ3-CE 3.61Å; W499-M503 VanDerWaalsContact O-CB 3.26Å; W499-M503 WeakPolarHBondContact O-CB 3.49Å; W499-M503 WeakPolarHBondContact O-CG 3.42Å; W499-M503 PolarHBondContact O-N 3.38Å; W499-L557 HydrophobicContact CE3-CD1 3.79Å; W499-L557 HydrophobicContact CZ3-CD1 4.37Å; W499-F561 AromaticContact CE3-CZ 3.75Å; W499-F561 HydrophobicContact CE3-CZ 3.75Å; W499-F561 HydrophobicContact CZ3-CE2 4.06Å; W499-F561 AromaticContact CZ3-CZ 3.59Å; W499-F561 HydrophobicContact CZ3-CZ 3.59Å; W499-R572 HydrophobicContact CZ2-CB 3.76Å; W499-R572 WeakPolarHBondContact CZ2-O 3.34Å; W499-F576 HydrophobicContact CH2-CB 4.3Å; W499-F576 HydrophobicContact CZ2-CB 4.18Å |
| 500 | H | 92.4 | Very high | 91.5 | Very high | 147 Ų | 147 | 37.7 Ų | 37.7 | 68% | 0.681 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -59.9 | -40.5 | -179.9 | -174.3 | -66.3 | 0 | 0 | 0 | 111.9 | N496 S497 Q498 G504 | N496-H500 WeakPolarHBondContact O-CB 3.45Å; N496-H500 PolarHBondContact O-N 3.3Å; S497-H500 PolarHBondContact O-N 3Å; Q498-H500 PolarHBondContact O-N 3.38Å; H500-G504 PolarHBondContact O-N 3.1Å |
| 501 | I | 93.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -54.1 | 179.1 | -67.6 | 161.3 | 0 | 0 | 0 | 110.7 | A445 L449 L452 S497 Q498 W499 M503 G504 E505 | A445-I501 HydrophobicContact CB-CD1 3.69Å; A445-I501 WeakPolarHBondContact O-CD1 3.28Å; L449-I501 HydrophobicContact CB-CG2 4.17Å; L449-I501 HydrophobicContact CD1-CG2 4.02Å; L452-I501 HydrophobicContact CD1-CG2 3.51Å; S497-I501 WeakPolarHBondContact O-CD1 3.24Å; S497-I501 WeakPolarHBondContact O-CG1 3.13Å; S497-I501 PolarHBondContact O-N 2.99Å; S497-I501 VanDerWaalsContact O-N 3.1Å; Q498-I501 PolarHBondContact O-N 3.2Å; W499-I501 VanDerWaalsContact C-N 3.29Å; W499-I501 PolarHBondContact O-N 2.97Å; I501-M503 VanDerWaalsContact C-N 3.31Å; I501-M503 PolarHBondContact O-N 3.11Å; I501-G504 PolarHBondContact O-N 2.82Å; I501-E505 WeakPolarHBondContact O-CG 3.45Å; I501-E505 PolarHBondContact O-N 3.1Å |
| 502 | V | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | -176.3 | 174 | 0 | 0 | 0 | 0 | 110.5 | L452 Q498 W499 E505 Y506 V550 A553 A554 L557 | L452-V502 HydrophobicContact CD1-CG2 3.95Å; Q498-V502 WeakPolarHBondContact O-CB 3.08Å; Q498-V502 VanDerWaalsContact O-CG2 3.32Å; Q498-V502 WeakPolarHBondContact O-CG2 3.36Å; Q498-V502 PolarHBondContact O-N 3.22Å; W499-V502 PolarHBondContact O-N 3.47Å; V502-E505 PolarHBondContact O-N 3.25Å; V502-Y506 WeakPolarHBondContact O-CB 3.48Å; V502-Y506 PolarHBondContact O-N 3.09Å; V502-V550 HydrophobicContact CG1-CG1 4.48Å; V502-A553 HydrophobicContact CG1-CB 4.19Å; V502-A553 HydrophobicContact CG2-CB 4.28Å; V502-A554 HydrophobicContact CG1-CB 3.84Å; V502-L557 HydrophobicContact CB-CD1 4.03Å; V502-L557 HydrophobicContact CG1-CD1 4.2Å; V502-L557 HydrophobicContact CG2-CD1 4.09Å |
| 503 | M | 94.4 | Very high | 92 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.5 | -37.2 | 178.9 | -63.8 | -58.5 | 145.6 | 0 | 0 | 112.7 | W499 I501 E505 Y506 E507 A554 F576 | W499-M503 HydrophobicContact CD2-CE 4.1Å; W499-M503 HydrophobicContact CD2-CG 3.94Å; W499-M503 HydrophobicContact CE3-CE 3.89Å; W499-M503 HydrophobicContact CG-CG 4.15Å; W499-M503 HydrophobicContact CH2-CE 3.51Å; W499-M503 HydrophobicContact CH2-SD 4.35Å; W499-M503 HydrophobicContact CZ2-CE 3.69Å; W499-M503 HydrophobicContact CZ2-CG 3.91Å; W499-M503 HydrophobicContact CZ2-SD 3.97Å; W499-M503 HydrophobicContact CZ3-CE 3.61Å; W499-M503 VanDerWaalsContact O-CB 3.26Å; W499-M503 WeakPolarHBondContact O-CB 3.49Å; W499-M503 WeakPolarHBondContact O-CG 3.42Å; W499-M503 PolarHBondContact O-N 3.38Å; I501-M503 VanDerWaalsContact C-N 3.31Å; I501-M503 PolarHBondContact O-N 3.11Å; M503-E505 VanDerWaalsContact C-N 3.31Å; M503-E505 PolarHBondContact O-N 2.85Å; M503-Y506 WeakPolarHBondContact O-CB 3.15Å; M503-Y506 PolarHBondContact O-N 3.44Å; M503-Y506 VanDerWaalsContact O-N 3.16Å; M503-E507 WeakPolarHBondContact O-CG 3.2Å; M503-E507 PolarHBondContact O-N 3Å; M503-A554 HydrophobicContact CE-CB 3.96Å; M503-F576 HydrophobicContact CE-CD1 4.49Å; M503-F576 HydrophobicContact CE-CD2 3.85Å; M503-F576 HydrophobicContact CE-CE2 4.17Å; M503-F576 HydrophobicContact CE-CG 4.01Å; M503-F576 HydrophobicContact SD-CB 4.03Å; M503-F576 HydrophobicContact SD-CD2 3.35Å; M503-F576 WeakPolarHBondContact SD-CD2 3.24Å; M503-F576 HydrophobicContact SD-CE2 4.02Å; M503-F576 HydrophobicContact SD-CG 3.83Å |
| 504 | G | 94.2 | Very high | 92.3 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | H500 I501 | H500-G504 PolarHBondContact O-N 3.1Å; I501-G504 PolarHBondContact O-N 2.82Å |
| 505 | E | 94.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.6 | -37.2 | 170.6 | -67.8 | -58.6 | 135.1 | 0 | 0 | 111.9 | L452 I501 V502 M503 R508 T509 V550 | L452-E505 HydrophobicContact CD1-CG 4.4Å; I501-E505 WeakPolarHBondContact O-CG 3.45Å; I501-E505 PolarHBondContact O-N 3.1Å; V502-E505 PolarHBondContact O-N 3.25Å; M503-E505 VanDerWaalsContact C-N 3.31Å; M503-E505 PolarHBondContact O-N 2.85Å; E505-R508 PolarHBondContact O-N 3.06Å; E505-R508 IonicContact OE1-CZ 2.69Å; E505-R508 IonicContact OE1-NH1 3.23Å; E505-R508 PolarHBondContact OE1-NH1 3.14Å; E505-R508 IonicContact OE1-NH2 3.51Å; E505-R508 PolarHBondContact OE1-NH2 3.28Å; E505-R508 IonicContact OE2-CZ 3.79Å; E505-R508 IonicContact OE2-NH1 3.36Å; E505-R508 PolarHBondContact OE2-NH1 3Å; E505-R508 IonicContact OE2-NH2 3.12Å; E505-T509 WeakPolarHBondContact O-CB 3Å; E505-T509 WeakPolarHBondContact O-CG2 3.41Å; E505-T509 PolarHBondContact O-N 2.9Å; E505-T509 PolarHBondContact O-OG1 3.22Å; E505-V550 HydrophobicContact CB-CG1 4.14Å; E505-V550 HydrophobicContact CB-CG2 4.01Å |
| 506 | Y | 95.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 179.4 | 176.9 | -96.1 | 0 | 0 | 0 | 111.3 | V502 M503 R508 T509 A510 Y547 V550 I551 F576 R579 H580 | V502-Y506 WeakPolarHBondContact O-CB 3.48Å; V502-Y506 PolarHBondContact O-N 3.09Å; M503-Y506 WeakPolarHBondContact O-CB 3.15Å; M503-Y506 PolarHBondContact O-N 3.44Å; M503-Y506 VanDerWaalsContact O-N 3.16Å; Y506-R508 VanDerWaalsContact C-N 3.28Å; Y506-R508 PolarHBondContact O-N 3.27Å; Y506-T509 PolarHBondContact O-N 3.48Å; Y506-T509 PolarHBondContact O-OG1 3.07Å; Y506-A510 HydrophobicContact CE1-CB 4.39Å; Y506-A510 WeakPolarHBondContact O-CB 3.4Å; Y506-A510 PolarHBondContact O-N 3.36Å; Y506-Y547 AromaticContact CD2-CE2 3.97Å; Y506-Y547 HydrophobicContact CD2-CE2 3.97Å; Y506-Y547 AromaticContact CE2-CE2 3.53Å; Y506-Y547 HydrophobicContact CE2-CE2 3.53Å; Y506-Y547 AromaticContact CE2-CZ 3.99Å; Y506-Y547 PolarHBondContact OH-OH 2.74Å; Y506-V550 VanDerWaalsContact CA-CG1 3.5Å; Y506-V550 HydrophobicContact CD2-CG1 4.31Å; Y506-I551 HydrophobicContact CD2-CG1 4.42Å; Y506-I551 HydrophobicContact CE2-CG1 4.05Å; Y506-F576 HydrophobicContact CD1-CD2 4.07Å; Y506-F576 HydrophobicContact CD1-CE2 4.01Å; Y506-F576 AromaticContact CD2-CE2 3.83Å; Y506-F576 HydrophobicContact CD2-CE2 3.83Å; Y506-F576 HydrophobicContact CE1-CD2 4.03Å; Y506-F576 AromaticContact CE1-CE2 3.91Å; Y506-F576 HydrophobicContact CE1-CE2 3.91Å; Y506-F576 AromaticContact CE2-CE2 3.73Å; Y506-F576 HydrophobicContact CE2-CE2 3.73Å; Y506-F576 HydrophobicContact CE2-CZ 4.46Å; Y506-F576 HydrophobicContact CG-CD2 4.4Å; Y506-F576 AromaticContact CG-CE2 3.97Å; Y506-F576 HydrophobicContact CG-CE2 3.97Å; Y506-F576 AromaticContact CZ-CE2 3.77Å; Y506-R579 HydrophobicContact CE1-CB 4.43Å; Y506-H580 VanDerWaalsContact OH-CA 3.27Å; Y506-H580 WeakPolarHBondContact OH-CA 3.48Å; Y506-H580 PolarHBondContact OH-ND1 3.45Å |
| 507 | E | 95.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 43.3 Ų | 43.3 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58 | -43 | 177.7 | -72 | 176 | -172.4 | 0 | 0 | 111.8 | M503 A511 R579 | M503-E507 WeakPolarHBondContact O-CG 3.2Å; M503-E507 PolarHBondContact O-N 3Å; E507-A511 WeakPolarHBondContact O-CB 3.42Å; E507-A511 PolarHBondContact O-N 3.38Å; E507-R579 VanDerWaalsContact CD-NH1 3.26Å; E507-R579 IonicContact OE1-CZ 2.68Å; E507-R579 IonicContact OE1-NH1 2.65Å; E507-R579 PolarHBondContact OE1-NH1 2.95Å; E507-R579 IonicContact OE1-NH2 3.56Å |
| 508 | R | 94.8 | Very high | 91.7 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 52% | 0.517 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.8 | -45.8 | -178.6 | -164.6 | -171.8 | -45 | 127.7 | 15.4 | 112.5 | E505 Y506 S512 | E505-R508 PolarHBondContact O-N 3.06Å; E505-R508 IonicContact OE1-CZ 2.69Å; E505-R508 IonicContact OE1-NH1 3.23Å; E505-R508 PolarHBondContact OE1-NH1 3.14Å; E505-R508 IonicContact OE1-NH2 3.51Å; E505-R508 PolarHBondContact OE1-NH2 3.28Å; E505-R508 IonicContact OE2-CZ 3.79Å; E505-R508 IonicContact OE2-NH1 3.36Å; E505-R508 PolarHBondContact OE2-NH1 3Å; E505-R508 IonicContact OE2-NH2 3.12Å; Y506-R508 VanDerWaalsContact C-N 3.28Å; Y506-R508 PolarHBondContact O-N 3.27Å; R508-S512 PolarHBondContact O-N 2.94Å; R508-S512 PolarHBondContact O-OG 3.28Å |
| 509 | T | 94 | Very high | 91 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.2 | -38.9 | -179.7 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | E505 Y506 S512 V513 Q546 V550 | E505-T509 WeakPolarHBondContact O-CB 3Å; E505-T509 WeakPolarHBondContact O-CG2 3.41Å; E505-T509 PolarHBondContact O-N 2.9Å; E505-T509 PolarHBondContact O-OG1 3.22Å; Y506-T509 PolarHBondContact O-N 3.48Å; Y506-T509 PolarHBondContact O-OG1 3.07Å; T509-S512 PolarHBondContact O-N 3.01Å; T509-V513 WeakPolarHBondContact O-CG2 3.29Å; T509-V513 PolarHBondContact O-N 3.34Å; T509-Q546 HydrophobicContact CG2-CB 4.13Å; T509-V550 HydrophobicContact CG2-CG2 4.28Å |
| 510 | A | 94.5 | Very high | 90.1 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y506 S512 V513 Q514 Y547 M583 | Y506-A510 HydrophobicContact CE1-CB 4.39Å; Y506-A510 WeakPolarHBondContact O-CB 3.4Å; Y506-A510 PolarHBondContact O-N 3.36Å; A510-S512 VanDerWaalsContact C-N 3.27Å; A510-S512 PolarHBondContact O-N 3.09Å; A510-V513 PolarHBondContact O-N 3.13Å; A510-Q514 VanDerWaalsContact O-CB 3.26Å; A510-Q514 WeakPolarHBondContact O-CB 3.45Å; A510-Q514 PolarHBondContact O-N 3.03Å; A510-Y547 HydrophobicContact CB-CD2 4.37Å; A510-Y547 HydrophobicContact CB-CE2 3.73Å; A510-M583 HydrophobicContact CB-CE 4.37Å; A510-M583 HydrophobicContact CB-CG 4.27Å; A510-M583 HydrophobicContact CB-SD 4.28Å |
| 511 | A | 94.2 | Very high | 89 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -35.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E507 R515 | E507-A511 WeakPolarHBondContact O-CB 3.42Å; E507-A511 PolarHBondContact O-N 3.38Å; A511-R515 PolarHBondContact O-N 3.01Å; A511-R515 VanDerWaalsContact O-N 3.16Å |
| 512 | S | 92.2 | Very high | 87.8 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -49.5 | 177.6 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | R508 T509 A510 Q514 R515 C516 | R508-S512 PolarHBondContact O-N 2.94Å; R508-S512 PolarHBondContact O-OG 3.28Å; T509-S512 PolarHBondContact O-N 3.01Å; A510-S512 VanDerWaalsContact C-N 3.27Å; A510-S512 PolarHBondContact O-N 3.09Å; S512-Q514 PolarHBondContact O-N 2.84Å; S512-R515 WeakPolarHBondContact O-CB 3.42Å; S512-R515 PolarHBondContact O-N 3.16Å; S512-R515 VanDerWaalsContact O-N 3.13Å; S512-C516 PolarHBondContact O-N 2.85Å |
| 513 | V | 91.1 | Very high | 86 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.2 | 169 | 0 | 0 | 0 | 0 | 111.8 | T509 A510 R515 C516 I517 Q543 L544 Y547 M583 | T509-V513 WeakPolarHBondContact O-CG2 3.29Å; T509-V513 PolarHBondContact O-N 3.34Å; A510-V513 PolarHBondContact O-N 3.13Å; V513-R515 VanDerWaalsContact C-N 3.27Å; V513-R515 PolarHBondContact O-N 3.07Å; V513-C516 PolarHBondContact O-N 3.35Å; V513-I517 HydrophobicContact CG1-CD1 3.6Å; V513-I517 HydrophobicContact CG1-CG1 4.19Å; V513-I517 WeakPolarHBondContact O-CB 3.26Å; V513-I517 WeakPolarHBondContact O-CG1 3.34Å; V513-I517 PolarHBondContact O-N 2.7Å; V513-Q543 HydrophobicContact CG2-CB 4.47Å; V513-L544 HydrophobicContact CG1-CD2 3.88Å; V513-L544 HydrophobicContact CG2-CD2 4.22Å; V513-Y547 HydrophobicContact CB-CD1 4.48Å; V513-Y547 HydrophobicContact CB-CG 4.47Å; V513-Y547 HydrophobicContact CG1-CD1 4.32Å; V513-Y547 HydrophobicContact CG2-CD1 4.17Å; V513-Y547 HydrophobicContact CG2-CG 3.91Å; V513-M583 HydrophobicContact CB-CE 4.33Å; V513-M583 HydrophobicContact CG1-CE 4.06Å |
| 514 | Q | 91.4 | Very high | 83.8 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 175 | 177 | 174.4 | 7 | 0 | 0 | 111.4 | A510 S512 V518 M583 L586 | A510-Q514 VanDerWaalsContact O-CB 3.26Å; A510-Q514 WeakPolarHBondContact O-CB 3.45Å; A510-Q514 PolarHBondContact O-N 3.03Å; S512-Q514 PolarHBondContact O-N 2.84Å; Q514-V518 WeakPolarHBondContact O-CA 3.42Å; Q514-V518 PolarHBondContact O-N 3.18Å; Q514-M583 HydrophobicContact CB-CE 4.33Å; Q514-M583 HydrophobicContact CB-SD 4.14Å; Q514-L586 HydrophobicContact CB-CD2 4.03Å; Q514-L586 HydrophobicContact CG-CD2 3.76Å |
| 515 | R | 88.5 | Confident | 81.1 | Confident | 144 Ų | 144 | 56.1 Ų | 56.1 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 176.2 | -169.4 | -174 | -56.1 | 126.2 | 5.8 | 111.8 | A511 S512 V513 I517 V518 E519 | A511-R515 PolarHBondContact O-N 3.01Å; A511-R515 VanDerWaalsContact O-N 3.16Å; S512-R515 WeakPolarHBondContact O-CB 3.42Å; S512-R515 PolarHBondContact O-N 3.16Å; S512-R515 VanDerWaalsContact O-N 3.13Å; V513-R515 VanDerWaalsContact C-N 3.27Å; V513-R515 PolarHBondContact O-N 3.07Å; R515-I517 PolarHBondContact O-N 2.57Å; R515-V518 WeakPolarHBondContact O-CA 3.48Å; R515-V518 PolarHBondContact O-N 2.91Å; R515-E519 WeakPolarHBondContact CD-OE1 3.44Å; R515-E519 HydrophobicContact CG-CG 4.46Å; R515-E519 VanDerWaalsContact CG-OE1 3.26Å; R515-E519 WeakPolarHBondContact CG-OE1 3.14Å; R515-E519 WeakPolarHBondContact O-CG 3.46Å; R515-E519 PolarHBondContact O-N 2.83Å |
| 516 | C | 84.5 | Confident | 78.6 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.4 | -73.4 | 0 | 0 | 0 | 0 | 112 | S512 V513 V518 E519 V520 V540 Q543 | S512-C516 PolarHBondContact O-N 2.85Å; V513-C516 PolarHBondContact O-N 3.35Å; C516-V518 VanDerWaalsContact C-N 3.3Å; C516-V518 PolarHBondContact O-N 3.24Å; C516-E519 PolarHBondContact O-N 2.98Å; C516-V520 VanDerWaalsContact O-CB 3.26Å; C516-V520 WeakPolarHBondContact O-CB 3.43Å; C516-V520 VanDerWaalsContact O-CG2 3.23Å; C516-V520 WeakPolarHBondContact O-CG2 3.45Å; C516-V520 PolarHBondContact O-N 2.93Å; C516-V540 HydrophobicContact CB-CG1 4.45Å; C516-V540 HydrophobicContact CB-CG2 4.49Å; C516-Q543 PolarHBondContact SG-OE1 3.4Å |
| 517 | I | 81.7 | Confident | 76.2 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 177 | -68.4 | 170.8 | 0 | 0 | 0 | 111 | V513 R515 F521 H522 L586 L587 S590 | V513-I517 HydrophobicContact CG1-CD1 3.6Å; V513-I517 HydrophobicContact CG1-CG1 4.19Å; V513-I517 WeakPolarHBondContact O-CB 3.26Å; V513-I517 WeakPolarHBondContact O-CG1 3.34Å; V513-I517 PolarHBondContact O-N 2.7Å; R515-I517 PolarHBondContact O-N 2.57Å; I517-F521 HydrophobicContact CB-CD2 4.33Å; I517-F521 HydrophobicContact CG1-CD2 4.39Å; I517-F521 HydrophobicContact CG2-CB 4.49Å; I517-F521 HydrophobicContact CG2-CD2 4.11Å; I517-F521 WeakPolarHBondContact O-CA 3.46Å; I517-F521 VanDerWaalsContact O-CB 3.3Å; I517-F521 WeakPolarHBondContact O-CB 3.47Å; I517-F521 PolarHBondContact O-N 3.36Å; I517-H522 PolarHBondContact O-ND1 3.48Å; I517-L586 HydrophobicContact CB-CD2 4.47Å; I517-L586 HydrophobicContact CD1-CD2 4.39Å; I517-L586 HydrophobicContact CG2-CD1 4.12Å; I517-L586 HydrophobicContact CG2-CD2 4.32Å; I517-L586 HydrophobicContact CG2-CG 4.05Å; I517-L587 HydrophobicContact CD1-CD2 3.46Å; I517-L587 VanDerWaalsContact CD1-CD2 3.46Å; I517-L587 HydrophobicContact CD1-CG 4.2Å; I517-S590 WeakPolarHBondContact CG2-OG 3.1Å |
| 518 | V | 81.2 | Confident | 74 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 42% | 0.424 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -28 | -76.4 | 158.1 | -167.6 | 0 | 0 | 0 | 0 | 114.8 | Q514 R515 C516 H522 S523 L586 | Q514-V518 WeakPolarHBondContact O-CA 3.42Å; Q514-V518 PolarHBondContact O-N 3.18Å; R515-V518 WeakPolarHBondContact O-CA 3.48Å; R515-V518 PolarHBondContact O-N 2.91Å; C516-V518 VanDerWaalsContact C-N 3.3Å; C516-V518 PolarHBondContact O-N 3.24Å; V518-H522 HydrophobicContact CG1-CB 4.23Å; V518-H522 HydrophobicContact CG2-CB 4.29Å; V518-H522 WeakPolarHBondContact O-CA 3.42Å; V518-H522 WeakPolarHBondContact O-CB 3.33Å; V518-H522 PolarHBondContact O-N 3.34Å; V518-S523 PolarHBondContact O-N 2.77Å; V518-L586 HydrophobicContact CG2-CD1 4.38Å |
| 519 | E | 77.7 | Confident | 71.8 | Confident | 114 Ų | 114 | 58.7 Ų | 58.7 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.8 | -43.9 | -167.9 | -69.7 | 167 | 176.9 | 0 | 0 | 111.3 | R515 C516 S523 | R515-E519 WeakPolarHBondContact CD-OE1 3.44Å; R515-E519 HydrophobicContact CG-CG 4.46Å; R515-E519 VanDerWaalsContact CG-OE1 3.26Å; R515-E519 WeakPolarHBondContact CG-OE1 3.14Å; R515-E519 WeakPolarHBondContact O-CG 3.46Å; R515-E519 PolarHBondContact O-N 2.83Å; C516-E519 PolarHBondContact O-N 2.98Å; E519-S523 WeakPolarHBondContact O-CB 3.27Å; E519-S523 PolarHBondContact O-OG 3.38Å |
| 520 | V | 71.9 | Confident | 69.8 | Low | 28 Ų | 28 | 65.7 Ų | 65.7 | 17% | 0.17 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -75.1 | -44.2 | -177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | C516 F529 M532 F602 | C516-V520 VanDerWaalsContact O-CB 3.26Å; C516-V520 WeakPolarHBondContact O-CB 3.43Å; C516-V520 VanDerWaalsContact O-CG2 3.23Å; C516-V520 WeakPolarHBondContact O-CG2 3.45Å; C516-V520 PolarHBondContact O-N 2.93Å; V520-F529 HydrophobicContact CG1-CE2 4.11Å; V520-M532 HydrophobicContact CG1-CE 4Å; V520-M532 HydrophobicContact CG2-CE 4.04Å; V520-F602 HydrophobicContact CG1-CE2 4.43Å |
| 521 | F | 68.5 | Low | 67.9 | Low | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.035 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -108.1 | -2.5 | -170.4 | -58.6 | -74.4 | 0 | 0 | 0 | 115.1 | I517 K594 I598 Y599 I606 | I517-F521 HydrophobicContact CB-CD2 4.33Å; I517-F521 HydrophobicContact CG1-CD2 4.39Å; I517-F521 HydrophobicContact CG2-CB 4.49Å; I517-F521 HydrophobicContact CG2-CD2 4.11Å; I517-F521 WeakPolarHBondContact O-CA 3.46Å; I517-F521 VanDerWaalsContact O-CB 3.3Å; I517-F521 WeakPolarHBondContact O-CB 3.47Å; I517-F521 PolarHBondContact O-N 3.36Å; F521-K594 HydrophobicContact CB-CD 4.25Å; F521-K594 HydrophobicContact CD1-CD 4.45Å; F521-K594 VanDerWaalsContact O-CD 3.22Å; F521-K594 WeakPolarHBondContact O-CD 3.34Å; F521-K594 WeakPolarHBondContact O-CE 3.48Å; F521-K594 PolarHBondContact O-NZ 3.5Å; F521-I598 HydrophobicContact CD1-CG2 4.14Å; F521-I598 HydrophobicContact CE1-CG2 3.89Å; F521-Y599 HydrophobicContact CD1-CE1 4.06Å; F521-Y599 AromaticContact CE1-CD1 3.96Å; F521-Y599 HydrophobicContact CE1-CD1 3.96Å; F521-Y599 AromaticContact CE1-CE1 3.43Å; F521-Y599 HydrophobicContact CE1-CE1 3.43Å; F521-Y599 VanDerWaalsContact CE1-CE1 3.43Å; F521-Y599 HydrophobicContact CZ-CD1 4.39Å; F521-Y599 HydrophobicContact CZ-CE1 4.05Å; F521-I606 HydrophobicContact CE1-CD1 4.26Å; F521-I606 HydrophobicContact CE2-CD1 3.64Å; F521-I606 HydrophobicContact CZ-CD1 3.3Å |
| 522 | H | 68.7 | Low | 66.5 | Low | 91 Ų | 91 | 70.6 Ų | 70.6 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -130.5 | -9.2 | 177.9 | -62.4 | 77.7 | 0 | 0 | 0 | 114.4 | I517 V518 G524 S590 | I517-H522 PolarHBondContact O-ND1 3.48Å; V518-H522 HydrophobicContact CG1-CB 4.23Å; V518-H522 HydrophobicContact CG2-CB 4.29Å; V518-H522 WeakPolarHBondContact O-CA 3.42Å; V518-H522 WeakPolarHBondContact O-CB 3.33Å; V518-H522 PolarHBondContact O-N 3.34Å; H522-G524 PolarHBondContact O-N 3.21Å; H522-G524 VanDerWaalsContact O-N 3.08Å; H522-S590 PolarHBondContact CE1-OG 3Å; H522-S590 VanDerWaalsContact CE1-OG 3.31Å |
| 523 | S | 57.9 | Low | 65.5 | Low | 47 Ų | 47 | 73.1 Ų | 73.1 | 33% | 0.329 | 42% | 0.422 | S | S | . | . | trans | -69.8 | 109.1 | 171.6 | 73.1 | 0 | 0 | 0 | 0 | 110 | V518 E519 A525 | V518-S523 PolarHBondContact O-N 2.77Å; E519-S523 WeakPolarHBondContact O-CB 3.27Å; E519-S523 PolarHBondContact O-OG 3.38Å; S523-A525 VanDerWaalsContact C-N 3.27Å; S523-A525 PolarHBondContact O-N 3.13Å | ||
| 524 | G | 47.3 | Very low | 64.9 | Low | 80 Ų | 80 | 78.2 Ų | 78.2 | 83% | 0.825 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -79.1 | 7.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H522 | H522-G524 PolarHBondContact O-N 3.21Å; H522-G524 VanDerWaalsContact O-N 3.08Å |
| 525 | A | 38.8 | Very low | 64.4 | Low | 101 Ų | 101 | 77 Ų | 77 | 84% | 0.835 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -164.9 | -8.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 119 | S523 | S523-A525 VanDerWaalsContact C-N 3.27Å; S523-A525 PolarHBondContact O-N 3.13Å |
| 526 | S | 41 | Very low | 64 | Low | 93 Ų | 93 | 74.1 Ų | 74.1 | 65% | 0.65 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -108.2 | -17.5 | -162.4 | 47.1 | 0 | 0 | 0 | 0 | 118.3 | ||
| 527 | V | 45.3 | Very low | 63.8 | Low | 86 Ų | 86 | 74.6 Ų | 74.6 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | trans | -147.2 | 114 | 167.4 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | F529 N531 | V527-F529 PolarHBondContact O-N 3.12Å; V527-N531 HydrophobicContact CG1-CB 3.84Å | ||
| 528 | P | 48.2 | Very low | 63.9 | Low | 86 Ų | 86 | 77 Ų | 77 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | trans | -62.6 | 133.3 | 167.7 | -3.4 | 16.8 | 0 | 0 | 0 | 107.9 | N530 N531 | P528-N530 PolarHBondContact O-N 3.2Å; P528-N531 PolarHBondContact O-N 3.27Å | ||
| 529 | F | 49.7 | Very low | 64.2 | Low | 63 Ų | 63 | 79.1 Ų | 79.1 | 28% | 0.276 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -45.4 | -24 | 178.8 | -152.2 | -87.9 | 0 | 0 | 0 | 114.3 | V520 V527 N531 M532 I598 F602 | V520-F529 HydrophobicContact CG1-CE2 4.11Å; V527-F529 PolarHBondContact O-N 3.12Å; F529-N531 PolarHBondContact O-N 3.28Å; F529-N531 VanDerWaalsContact O-N 3.11Å; F529-M532 HydrophobicContact CD2-CE 4.06Å; F529-M532 HydrophobicContact CE2-CE 3.94Å; F529-M532 HydrophobicContact CZ-CE 4.43Å; F529-M532 PolarHBondContact O-N 3.43Å; F529-I598 HydrophobicContact CD2-CG2 3.68Å; F529-I598 HydrophobicContact CE2-CG2 3.62Å; F529-I598 WeakPolarHBondContact CE2-O 3.44Å; F529-I598 WeakPolarHBondContact CZ-O 3.17Å; F529-F602 HydrophobicContact CE1-CE2 4.29Å; F529-F602 AromaticContact CE2-CD2 3.77Å; F529-F602 HydrophobicContact CE2-CD2 3.77Å; F529-F602 AromaticContact CE2-CE2 3.67Å; F529-F602 HydrophobicContact CE2-CE2 3.67Å; F529-F602 AromaticContact CZ-CD2 3.38Å; F529-F602 HydrophobicContact CZ-CD2 3.38Å; F529-F602 AromaticContact CZ-CE2 3.33Å; F529-F602 HydrophobicContact CZ-CE2 3.33Å |
| 530 | N | 51.3 | Low | 64.5 | Low | 155 Ų | 155 | 74.5 Ų | 74.5 | 83% | 0.829 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -63.9 | -5.6 | 173.9 | -70.2 | -4 | 0 | 0 | 0 | 115.5 | P528 | P528-N530 PolarHBondContact O-N 3.2Š|
| 531 | N | 55 | Low | 65.1 | Low | 114 Ų | 114 | 74.9 Ų | 74.9 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -114.7 | -0.8 | -178.6 | -72.8 | 0.7 | 0 | 0 | 0 | 114.9 | V527 P528 F529 D533 | V527-N531 HydrophobicContact CG1-CB 3.84Å; P528-N531 PolarHBondContact O-N 3.27Å; F529-N531 PolarHBondContact O-N 3.28Å; F529-N531 VanDerWaalsContact O-N 3.11Å; N531-D533 PolarHBondContact O-N 3.01Å |
| 532 | M | 64.5 | Low | 66 | Low | 44 Ų | 44 | 77.2 Ų | 77.2 | 22% | 0.217 | 48% | 0.475 | C | S | . | . | trans | -71.2 | 124.2 | 173.4 | -81.4 | -152.9 | -95.4 | 0 | 0 | 109.8 | V520 F529 E536 V537 F602 | V520-M532 HydrophobicContact CG1-CE 4Å; V520-M532 HydrophobicContact CG2-CE 4.04Å; F529-M532 HydrophobicContact CD2-CE 4.06Å; F529-M532 HydrophobicContact CE2-CE 3.94Å; F529-M532 HydrophobicContact CZ-CE 4.43Å; F529-M532 PolarHBondContact O-N 3.43Å; M532-E536 WeakPolarHBondContact CG-OE2 3.49Å; M532-E536 HydrophobicContact SD-CB 4.24Å; M532-V537 HydrophobicContact CB-CG2 4.23Å; M532-F602 HydrophobicContact CE-CE2 3.69Å; M532-F602 HydrophobicContact CE-CZ 4.05Å | ||
| 533 | D | 72 | Confident | 67.1 | Low | 85 Ų | 85 | 74.5 Ų | 74.5 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | trans | -74.3 | 156 | 174.1 | 46.6 | -36.5 | 0 | 0 | 0 | 111.3 | N531 S535 E536 V537 | N531-D533 PolarHBondContact O-N 3.01Å; D533-S535 PolarHBondContact O-N 3.11Å; D533-E536 PolarHBondContact O-N 3.17Å; D533-E536 WeakPolarHBondContact OD1-CG 2.87Å; D533-V537 PolarHBondContact O-N 3.15Å | ||
| 534 | S | 78.1 | Confident | 68.6 | Low | 108 Ų | 108 | 72.5 Ų | 72.5 | 76% | 0.755 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.4 | -25.8 | -175.7 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | A538 | S534-A538 WeakPolarHBondContact O-CB 3.38Å; S534-A538 PolarHBondContact O-N 3.41Å; S534-A538 VanDerWaalsContact O-N 3.1Å |
| 535 | S | 81.4 | Confident | 70.6 | Confident | 78 Ų | 78 | 70.6 Ų | 70.6 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | D533 A538 Q539 | D533-S535 PolarHBondContact O-N 3.11Å; S535-A538 PolarHBondContact O-N 3.27Å; S535-Q539 WeakPolarHBondContact O-CB 3.45Å; S535-Q539 PolarHBondContact O-N 3.13Å |
| 536 | E | 79.1 | Confident | 73 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 39% | 0.388 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 178.4 | -72.5 | -177.3 | 167.8 | 0 | 0 | 110.8 | M532 D533 Q539 V540 | M532-E536 WeakPolarHBondContact CG-OE2 3.49Å; M532-E536 HydrophobicContact SD-CB 4.24Å; D533-E536 PolarHBondContact O-N 3.17Å; D533-E536 WeakPolarHBondContact OD1-CG 2.87Å; E536-Q539 PolarHBondContact O-N 3.38Å; E536-V540 WeakPolarHBondContact O-CG2 3.28Å; E536-V540 PolarHBondContact O-N 3.41Å |
| 537 | V | 81 | Confident | 75.5 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.1 | -48 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | M532 D533 Q539 V540 N541 V601 F602 | M532-V537 HydrophobicContact CB-CG2 4.23Å; D533-V537 PolarHBondContact O-N 3.15Å; V537-Q539 VanDerWaalsContact C-N 3.29Å; V537-Q539 PolarHBondContact O-N 2.99Å; V537-V540 PolarHBondContact O-N 3.02Å; V537-N541 PolarHBondContact O-N 3.5Å; V537-V601 HydrophobicContact CG1-CB 4.48Å; V537-V601 HydrophobicContact CG1-CG1 3.55Å; V537-F602 HydrophobicContact CB-CE1 4.41Å; V537-F602 HydrophobicContact CB-CZ 4.24Å; V537-F602 HydrophobicContact CG1-CE1 3.82Å; V537-F602 HydrophobicContact CG1-CZ 3.99Å; V537-F602 HydrophobicContact CG2-CZ 4.08Å |
| 538 | A | 83.2 | Confident | 77.7 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | S534 S535 N541 D542 | S534-A538 WeakPolarHBondContact O-CB 3.38Å; S534-A538 PolarHBondContact O-N 3.41Å; S534-A538 VanDerWaalsContact O-N 3.1Å; S535-A538 PolarHBondContact O-N 3.27Å; A538-N541 PolarHBondContact O-N 3.3Å; A538-D542 WeakPolarHBondContact O-CB 3.24Å; A538-D542 PolarHBondContact O-N 2.97Å |
| 539 | Q | 86.9 | Confident | 79.7 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 177.6 | -173.9 | -179.1 | 9.3 | 0 | 0 | 112.1 | S535 E536 V537 D542 Q543 | S535-Q539 WeakPolarHBondContact O-CB 3.45Å; S535-Q539 PolarHBondContact O-N 3.13Å; E536-Q539 PolarHBondContact O-N 3.38Å; V537-Q539 VanDerWaalsContact C-N 3.29Å; V537-Q539 PolarHBondContact O-N 2.99Å; Q539-D542 PolarHBondContact O-N 3.4Å; Q539-Q543 WeakPolarHBondContact O-CG 3.35Å; Q539-Q543 PolarHBondContact O-N 2.83Å |
| 540 | V | 85 | Confident | 81.8 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | C516 E536 V537 D542 Q543 L544 F602 | C516-V540 HydrophobicContact CB-CG1 4.45Å; C516-V540 HydrophobicContact CB-CG2 4.49Å; E536-V540 WeakPolarHBondContact O-CG2 3.28Å; E536-V540 PolarHBondContact O-N 3.41Å; V537-V540 PolarHBondContact O-N 3.02Å; V540-D542 VanDerWaalsContact C-N 3.34Å; V540-D542 PolarHBondContact O-N 3.45Å; V540-Q543 PolarHBondContact O-N 3.24Å; V540-L544 HydrophobicContact CG1-CD1 4.22Å; V540-L544 WeakPolarHBondContact O-CG 3.42Å; V540-L544 PolarHBondContact O-N 3.14Å; V540-F602 HydrophobicContact CB-CE1 3.87Å; V540-F602 HydrophobicContact CB-CZ 4.26Å; V540-F602 HydrophobicContact CG1-CD1 4.19Å; V540-F602 HydrophobicContact CG1-CE1 3.79Å; V540-F602 HydrophobicContact CG1-CZ 4.28Å |
| 541 | N | 85 | Confident | 83.9 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 176.9 | -77.7 | -14.3 | 0 | 0 | 0 | 112.3 | V537 A538 L544 R545 F602 P605 | V537-N541 PolarHBondContact O-N 3.5Å; A538-N541 PolarHBondContact O-N 3.3Å; N541-L544 PolarHBondContact O-N 3.36Å; N541-R545 WeakPolarHBondContact O-CB 3.44Å; N541-R545 PolarHBondContact O-N 3.44Å; N541-F602 VanDerWaalsContact OD1-CD1 3.26Å; N541-F602 WeakPolarHBondContact OD1-CD1 3.5Å; N541-P605 WeakPolarHBondContact OD1-CG 3.34Å |
| 542 | D | 87.2 | Confident | 85.6 | Confident | 56 Ų | 56 | 42.3 Ų | 42.3 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64 | -41.1 | 176.1 | -170.6 | 46.9 | 0 | 0 | 0 | 111.9 | A538 Q539 V540 R545 Q546 | A538-D542 WeakPolarHBondContact O-CB 3.24Å; A538-D542 PolarHBondContact O-N 2.97Å; Q539-D542 PolarHBondContact O-N 3.4Å; V540-D542 VanDerWaalsContact C-N 3.34Å; V540-D542 PolarHBondContact O-N 3.45Å; D542-R545 PolarHBondContact O-N 3.47Å; D542-R545 IonicContact OD1-CZ 3.8Å; D542-R545 IonicContact OD1-NE 3.34Å; D542-R545 IonicContact OD1-NH2 3.11Å; D542-R545 PolarHBondContact OD1-NH2 3.18Å; D542-Q546 WeakPolarHBondContact O-CB 3.46Å; D542-Q546 VanDerWaalsContact O-CG 3.27Å; D542-Q546 WeakPolarHBondContact O-CG 3.39Å; D542-Q546 PolarHBondContact O-N 2.9Å; D542-Q546 PolarHBondContact OD2-NE2 2.99Å |
| 543 | Q | 90.5 | Very high | 86.9 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.9 | -71.6 | -176.7 | 24.5 | 0 | 0 | 112.8 | V513 C516 Q539 V540 R545 Q546 Y547 | V513-Q543 HydrophobicContact CG2-CB 4.47Å; C516-Q543 PolarHBondContact SG-OE1 3.4Å; Q539-Q543 WeakPolarHBondContact O-CG 3.35Å; Q539-Q543 PolarHBondContact O-N 2.83Å; V540-Q543 PolarHBondContact O-N 3.24Å; Q543-R545 VanDerWaalsContact C-N 3.33Å; Q543-Q546 PolarHBondContact O-N 2.8Å; Q543-Y547 WeakPolarHBondContact O-CB 3.48Å; Q543-Y547 PolarHBondContact O-N 3.31Å |
| 544 | L | 89.5 | Confident | 87.9 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 174.6 | -73.2 | 173.1 | 0 | 0 | 0 | 111.1 | V513 V540 N541 Y547 R548 P605 I606 T609 | V513-L544 HydrophobicContact CG1-CD2 3.88Å; V513-L544 HydrophobicContact CG2-CD2 4.22Å; V540-L544 HydrophobicContact CG1-CD1 4.22Å; V540-L544 WeakPolarHBondContact O-CG 3.42Å; V540-L544 PolarHBondContact O-N 3.14Å; N541-L544 PolarHBondContact O-N 3.36Å; L544-Y547 PolarHBondContact O-N 3.07Å; L544-R548 WeakPolarHBondContact O-CG 3.36Å; L544-R548 PolarHBondContact O-N 3.22Å; L544-P605 HydrophobicContact CD1-CB 3.91Å; L544-I606 HydrophobicContact CD1-CG1 4.02Å; L544-T609 HydrophobicContact CD2-CG2 4.25Å |
| 545 | R | 89.2 | Confident | 88.5 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 176.5 | 179.4 | 174.4 | 52.5 | -129.5 | -0.7 | 112.1 | E459 N541 D542 Q543 Y547 R548 C549 | E459-R545 HydrophobicContact CB-CG 4.45Å; E459-R545 HydrophobicContact CG-CG 4.27Å; N541-R545 WeakPolarHBondContact O-CB 3.44Å; N541-R545 PolarHBondContact O-N 3.44Å; D542-R545 PolarHBondContact O-N 3.47Å; D542-R545 IonicContact OD1-CZ 3.8Å; D542-R545 IonicContact OD1-NE 3.34Å; D542-R545 IonicContact OD1-NH2 3.11Å; D542-R545 PolarHBondContact OD1-NH2 3.18Å; Q543-R545 VanDerWaalsContact C-N 3.33Å; R545-Y547 VanDerWaalsContact C-N 3.25Å; R545-Y547 PolarHBondContact O-N 3.37Å; R545-R548 WeakPolarHBondContact O-CB 3.22Å; R545-R548 PolarHBondContact O-N 3.35Å; R545-R548 VanDerWaalsContact O-N 3.07Å; R545-C549 PolarHBondContact O-N 2.88Å; R545-C549 PolarHBondContact O-SG 2.88Å |
| 546 | Q | 90.6 | Very high | 88.8 | Confident | 70 Ų | 70 | 28.6 Ų | 28.6 | 33% | 0.327 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -56 | -43.4 | 176.5 | -72.8 | 174.6 | 18.1 | 0 | 0 | 111.4 | A456 T509 D542 Q543 C549 V550 | A456-Q546 HydrophobicContact CB-CG 4.22Å; T509-Q546 HydrophobicContact CG2-CB 4.13Å; D542-Q546 WeakPolarHBondContact O-CB 3.46Å; D542-Q546 VanDerWaalsContact O-CG 3.27Å; D542-Q546 WeakPolarHBondContact O-CG 3.39Å; D542-Q546 PolarHBondContact O-N 2.9Å; D542-Q546 PolarHBondContact OD2-NE2 2.99Å; Q543-Q546 PolarHBondContact O-N 2.8Å; Q546-C549 PolarHBondContact O-N 2.94Å; Q546-V550 VanDerWaalsContact O-CG2 3.28Å; Q546-V550 WeakPolarHBondContact O-CG2 3.37Å; Q546-V550 PolarHBondContact O-N 3.14Å |
| 547 | Y | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.4 | -176.7 | -120.6 | 0 | 0 | 0 | 112.5 | Y506 A510 V513 Q543 L544 R545 V550 I551 M583 L587 T609 | Y506-Y547 AromaticContact CD2-CE2 3.97Å; Y506-Y547 HydrophobicContact CD2-CE2 3.97Å; Y506-Y547 AromaticContact CE2-CE2 3.53Å; Y506-Y547 HydrophobicContact CE2-CE2 3.53Å; Y506-Y547 AromaticContact CE2-CZ 3.99Å; Y506-Y547 PolarHBondContact OH-OH 2.74Å; A510-Y547 HydrophobicContact CB-CD2 4.37Å; A510-Y547 HydrophobicContact CB-CE2 3.73Å; V513-Y547 HydrophobicContact CB-CD1 4.48Å; V513-Y547 HydrophobicContact CB-CG 4.47Å; V513-Y547 HydrophobicContact CG1-CD1 4.32Å; V513-Y547 HydrophobicContact CG2-CD1 4.17Å; V513-Y547 HydrophobicContact CG2-CG 3.91Å; Q543-Y547 WeakPolarHBondContact O-CB 3.48Å; Q543-Y547 PolarHBondContact O-N 3.31Å; L544-Y547 PolarHBondContact O-N 3.07Å; R545-Y547 VanDerWaalsContact C-N 3.25Å; R545-Y547 PolarHBondContact O-N 3.37Å; Y547-V550 PolarHBondContact O-N 3.38Å; Y547-I551 HydrophobicContact CD1-CD1 3.8Å; Y547-I551 HydrophobicContact CD2-CD1 4.44Å; Y547-I551 HydrophobicContact CE1-CD1 3.41Å; Y547-I551 VanDerWaalsContact CE1-CD1 3.41Å; Y547-I551 HydrophobicContact CE1-CG1 4.39Å; Y547-I551 HydrophobicContact CE2-CD1 4.1Å; Y547-I551 HydrophobicContact CE2-CG1 4.22Å; Y547-I551 HydrophobicContact CG-CD1 4.3Å; Y547-I551 WeakPolarHBondContact O-CG1 3.43Å; Y547-I551 PolarHBondContact O-N 2.93Å; Y547-M583 HydrophobicContact CE1-CE 4.23Å; Y547-M583 VanDerWaalsContact OH-CB 3.31Å; Y547-M583 WeakPolarHBondContact OH-CB 3.5Å; Y547-M583 WeakPolarHBondContact OH-CG 3.5Å; Y547-L587 HydrophobicContact CE1-CD1 4.49Å; Y547-T609 HydrophobicContact CD1-CG2 3.82Å; Y547-T609 HydrophobicContact CE1-CG2 4.29Å |
| 548 | R | 91.2 | Very high | 89.2 | Confident | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.8 | -56.8 | 171.9 | -71.8 | -167.5 | -55 | -90.1 | 12.1 | 110.8 | E459 E463 L544 R545 V550 I551 K552 T609 T612 | E459-R548 IonicContact OE1-CZ 3.89Å; E459-R548 IonicContact OE1-NE 2.69Å; E459-R548 PolarHBondContact OE1-NE 3.25Å; E459-R548 IonicContact OE1-NH2 3.34Å; E459-R548 PolarHBondContact OE1-NH2 3.41Å; E463-R548 IonicContact OE1-CZ 2.86Å; E463-R548 IonicContact OE1-NH2 2.97Å; E463-R548 PolarHBondContact OE1-NH2 2.96Å; E463-R548 IonicContact OE2-NH2 3.89Å; L544-R548 WeakPolarHBondContact O-CG 3.36Å; L544-R548 PolarHBondContact O-N 3.22Å; R545-R548 WeakPolarHBondContact O-CB 3.22Å; R545-R548 PolarHBondContact O-N 3.35Å; R545-R548 VanDerWaalsContact O-N 3.07Å; R548-V550 PolarHBondContact O-N 3.23Å; R548-I551 WeakPolarHBondContact O-CA 3.4Å; R548-I551 WeakPolarHBondContact O-CB 3.04Å; R548-I551 PolarHBondContact O-N 2.97Å; R548-K552 WeakPolarHBondContact O-CG 3.5Å; R548-K552 PolarHBondContact O-N 3.25Å; R548-T609 HydrophobicContact CG-CG2 4.14Å; R548-T609 WeakPolarHBondContact CG-OG1 3.4Å; R548-T609 PolarHBondContact NH1-OG1 3.47Å; R548-T612 HydrophobicContact CB-CG2 4.39Å |
| 549 | C | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.3 | -42.1 | -178 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | L455 E459 R545 Q546 K552 A553 | L455-C549 HydrophobicContact CD2-CB 3.81Å; L455-C549 WeakPolarHBondContact CD2-O 3.25Å; L455-C549 HydrophobicContact CG-CB 3.99Å; E459-C549 PolarHBondContact OE2-SG 2.93Å; R545-C549 PolarHBondContact O-N 2.88Å; R545-C549 PolarHBondContact O-SG 2.88Å; Q546-C549 PolarHBondContact O-N 2.94Å; C549-K552 WeakPolarHBondContact O-CB 3.2Å; C549-K552 PolarHBondContact O-N 3.32Å; C549-A553 PolarHBondContact O-N 3.12Å |
| 550 | V | 94.1 | Very high | 87.3 | Confident | 8 Ų | 8 | 20.1 Ų | 20.1 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.1 | -37.9 | 178.7 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | L452 V502 E505 Y506 T509 Q546 Y547 R548 K552 A553 A554 | L452-V550 HydrophobicContact CD2-CG2 4.26Å; V502-V550 HydrophobicContact CG1-CG1 4.48Å; E505-V550 HydrophobicContact CB-CG1 4.14Å; E505-V550 HydrophobicContact CB-CG2 4.01Å; Y506-V550 VanDerWaalsContact CA-CG1 3.5Å; Y506-V550 HydrophobicContact CD2-CG1 4.31Å; T509-V550 HydrophobicContact CG2-CG2 4.28Å; Q546-V550 VanDerWaalsContact O-CG2 3.28Å; Q546-V550 WeakPolarHBondContact O-CG2 3.37Å; Q546-V550 PolarHBondContact O-N 3.14Å; Y547-V550 PolarHBondContact O-N 3.38Å; R548-V550 PolarHBondContact O-N 3.23Å; V550-K552 VanDerWaalsContact C-N 3.31Å; V550-K552 PolarHBondContact O-N 3.34Å; V550-A553 PolarHBondContact O-N 2.85Å; V550-A554 WeakPolarHBondContact O-CB 3.38Å; V550-A554 PolarHBondContact O-N 3.3Å |
| 551 | I | 93.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 169.8 | -66.1 | 163.3 | 0 | 0 | 0 | 110.2 | W473 Y506 Y547 R548 A553 A554 C555 T612 C616 | W473-I551 HydrophobicContact CH2-CG2 4.42Å; Y506-I551 HydrophobicContact CD2-CG1 4.42Å; Y506-I551 HydrophobicContact CE2-CG1 4.05Å; Y547-I551 HydrophobicContact CD1-CD1 3.8Å; Y547-I551 HydrophobicContact CD2-CD1 4.44Å; Y547-I551 HydrophobicContact CE1-CD1 3.41Å; Y547-I551 VanDerWaalsContact CE1-CD1 3.41Å; Y547-I551 HydrophobicContact CE1-CG1 4.39Å; Y547-I551 HydrophobicContact CE2-CD1 4.1Å; Y547-I551 HydrophobicContact CE2-CG1 4.22Å; Y547-I551 HydrophobicContact CG-CD1 4.3Å; Y547-I551 WeakPolarHBondContact O-CG1 3.43Å; Y547-I551 PolarHBondContact O-N 2.93Å; R548-I551 WeakPolarHBondContact O-CA 3.4Å; R548-I551 WeakPolarHBondContact O-CB 3.04Å; R548-I551 PolarHBondContact O-N 2.97Å; I551-A553 VanDerWaalsContact C-N 3.33Å; I551-A553 PolarHBondContact O-N 3.33Å; I551-A554 PolarHBondContact O-N 3.21Å; I551-C555 PolarHBondContact O-N 2.8Å; I551-C555 PolarHBondContact O-SG 3.45Å; I551-T612 HydrophobicContact CB-CG2 3.97Å; I551-T612 HydrophobicContact CG2-CG2 3.81Å; I551-C616 HydrophobicContact CG2-CB 3.77Å |
| 552 | K | 91.9 | Very high | 84.3 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 176.4 | -42.2 | -164.1 | 167.5 | 155.3 | 0 | 111.3 | E459 W473 F474 L484 R548 C549 V550 A554 C555 C556 T612 | E459-K552 IonicContact OE1-NZ 2.99Å; E459-K552 PolarHBondContact OE1-NZ 3.16Å; E459-K552 VanDerWaalsContact OE1-NZ 3.14Å; E459-K552 IonicContact OE2-NZ 2.65Å; E459-K552 PolarHBondContact OE2-NZ 3.47Å; W473-K552 HydrophobicContact CE3-CB 3.38Å; W473-K552 HydrophobicContact CE3-CD 3.74Å; W473-K552 HydrophobicContact CE3-CG 3.33Å; W473-K552 HydrophobicContact CZ3-CB 3.53Å; W473-K552 HydrophobicContact CZ3-CD 4.33Å; W473-K552 HydrophobicContact CZ3-CG 3.47Å; W473-K552 VanDerWaalsContact CZ3-CG 3.47Å; F474-K552 HydrophobicContact CD2-CD 4.39Å; F474-K552 HydrophobicContact CE1-CD 4.37Å; F474-K552 HydrophobicContact CE2-CD 3.38Å; F474-K552 HydrophobicContact CZ-CD 3.38Å; L484-K552 HydrophobicContact CD1-CB 3.89Å; L484-K552 HydrophobicContact CD2-CB 4.12Å; R548-K552 WeakPolarHBondContact O-CG 3.5Å; R548-K552 PolarHBondContact O-N 3.25Å; C549-K552 WeakPolarHBondContact O-CB 3.2Å; C549-K552 PolarHBondContact O-N 3.32Å; V550-K552 VanDerWaalsContact C-N 3.31Å; V550-K552 PolarHBondContact O-N 3.34Å; K552-A554 PolarHBondContact O-N 3.05Å; K552-C555 WeakPolarHBondContact O-CB 3.48Å; K552-C555 PolarHBondContact O-N 3.05Å; K552-C556 PolarHBondContact O-N 3.16Å; K552-C556 VanDerWaalsContact O-N 3.12Å; K552-C556 PolarHBondContact O-SG 2.84Å; K552-C556 VanDerWaalsContact O-SG 3.38Å; K552-T612 HydrophobicContact CG-CG2 4.08Å |
| 553 | A | 92 | Very high | 82.5 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L452 L484 L487 V502 C549 V550 I551 C555 C556 L557 | L452-A553 HydrophobicContact CD2-CB 3.63Å; L484-A553 HydrophobicContact CD2-CB 4.22Å; L487-A553 HydrophobicContact CD1-CB 4.11Å; V502-A553 HydrophobicContact CG1-CB 4.19Å; V502-A553 HydrophobicContact CG2-CB 4.28Å; C549-A553 PolarHBondContact O-N 3.12Å; V550-A553 PolarHBondContact O-N 2.85Å; I551-A553 VanDerWaalsContact C-N 3.33Å; I551-A553 PolarHBondContact O-N 3.33Å; A553-C555 VanDerWaalsContact C-N 3.29Å; A553-C555 PolarHBondContact O-N 3.18Å; A553-C556 PolarHBondContact O-N 3.47Å; A553-C556 VanDerWaalsContact O-N 3.17Å; A553-L557 PolarHBondContact O-N 3Å |
| 554 | A | 92.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V502 M503 V550 I551 K552 C556 L557 F576 Y620 | V502-A554 HydrophobicContact CG1-CB 3.84Å; M503-A554 HydrophobicContact CE-CB 3.96Å; V550-A554 WeakPolarHBondContact O-CB 3.38Å; V550-A554 PolarHBondContact O-N 3.3Å; I551-A554 PolarHBondContact O-N 3.21Å; K552-A554 PolarHBondContact O-N 3.05Å; A554-C556 VanDerWaalsContact C-N 3.3Å; A554-C556 PolarHBondContact O-N 3.32Å; A554-L557 WeakPolarHBondContact O-CB 3.49Å; A554-L557 PolarHBondContact O-N 2.88Å; A554-F576 HydrophobicContact CB-CE2 4.18Å; A554-F576 HydrophobicContact CB-CZ 3.85Å; A554-Y620 PolarHBondContact O-OH 3.07Å |
| 555 | C | 90.9 | Very high | 78.8 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -31.4 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 113.3 | W473 I551 K552 A553 L557 T558 C616 | W473-C555 HydrophobicContact CH2-CB 3.64Å; W473-C555 WeakPolarHBondContact CH2-SG 3.44Å; W473-C555 HydrophobicContact CZ2-CB 3.71Å; W473-C555 HydrophobicContact CZ3-CB 4.27Å; I551-C555 PolarHBondContact O-N 2.8Å; I551-C555 PolarHBondContact O-SG 3.45Å; K552-C555 WeakPolarHBondContact O-CB 3.48Å; K552-C555 PolarHBondContact O-N 3.05Å; A553-C555 VanDerWaalsContact C-N 3.29Å; A553-C555 PolarHBondContact O-N 3.18Å; C555-L557 PolarHBondContact O-N 3.23Å; C555-T558 WeakPolarHBondContact O-CG2 3.47Å; C555-T558 PolarHBondContact O-N 3.44Å; C555-T558 PolarHBondContact O-OG1 2.65Å; C555-C616 VanDerWaalsContact SG-CA 3.55Å |
| 556 | C | 86.7 | Confident | 77 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 14% | 0.142 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.9 | -19.3 | 176.2 | -68.8 | 0 | 0 | 0 | 0 | 113.3 | A488 K552 A553 A554 T558 | A488-C556 HydrophobicContact CB-CB 4.37Å; K552-C556 PolarHBondContact O-N 3.16Å; K552-C556 VanDerWaalsContact O-N 3.12Å; K552-C556 PolarHBondContact O-SG 2.84Å; K552-C556 VanDerWaalsContact O-SG 3.38Å; A553-C556 PolarHBondContact O-N 3.47Å; A553-C556 VanDerWaalsContact O-N 3.17Å; A554-C556 VanDerWaalsContact C-N 3.3Å; A554-C556 PolarHBondContact O-N 3.32Å; C556-T558 PolarHBondContact O-N 3.3Å |
| 557 | L | 87.3 | Confident | 75.6 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.8 | 175 | -55.5 | -177 | 0 | 0 | 0 | 112.4 | A491 I495 Q498 W499 V502 A553 A554 C555 P560 F561 | A491-L557 HydrophobicContact CB-CD2 3.51Å; I495-L557 HydrophobicContact CD1-CD2 4.45Å; Q498-L557 HydrophobicContact CB-CD2 4.18Å; W499-L557 HydrophobicContact CE3-CD1 3.79Å; W499-L557 HydrophobicContact CZ3-CD1 4.37Å; V502-L557 HydrophobicContact CB-CD1 4.03Å; V502-L557 HydrophobicContact CG1-CD1 4.2Å; V502-L557 HydrophobicContact CG2-CD1 4.09Å; A553-L557 PolarHBondContact O-N 3Å; A554-L557 WeakPolarHBondContact O-CB 3.49Å; A554-L557 PolarHBondContact O-N 2.88Å; C555-L557 PolarHBondContact O-N 3.23Å; L557-P560 WeakPolarHBondContact O-CD 3.44Å; L557-F561 VanDerWaalsContact C-CE2 3.42Å; L557-F561 HydrophobicContact CB-CE2 4.12Å; L557-F561 HydrophobicContact CB-CZ 4.09Å; L557-F561 WeakPolarHBondContact O-CD2 3.45Å; L557-F561 WeakPolarHBondContact O-CE2 3.4Å; L557-F561 VanDerWaalsContact O-CZ 3.27Å; L557-F561 WeakPolarHBondContact O-CZ 3.41Å |
| 558 | T | 81.6 | Confident | 74.3 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 20% | 0.202 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -36.3 | -173.9 | 64 | 0 | 0 | 0 | 0 | 114.4 | C555 C556 F561 S619 Y620 | C555-T558 WeakPolarHBondContact O-CG2 3.47Å; C555-T558 PolarHBondContact O-N 3.44Å; C555-T558 PolarHBondContact O-OG1 2.65Å; C556-T558 PolarHBondContact O-N 3.3Å; T558-F561 VanDerWaalsContact CA-CD2 3.47Å; T558-F561 WeakPolarHBondContact O-CB 3.33Å; T558-F561 WeakPolarHBondContact O-CD2 3.46Å; T558-F561 PolarHBondContact O-N 3.25Å; T558-S619 PolarHBondContact OG1-O 3.42Å; T558-Y620 HydrophobicContact CG2-CD1 3.9Å; T558-Y620 HydrophobicContact CG2-CD2 3.59Å; T558-Y620 HydrophobicContact CG2-CE1 3.77Å; T558-Y620 HydrophobicContact CG2-CE2 3.44Å; T558-Y620 VanDerWaalsContact CG2-CE2 3.44Å; T558-Y620 HydrophobicContact CG2-CG 3.82Å |
| 559 | G | 70.5 | Confident | 73.4 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -62.4 | -46.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F561 | G559-F561 PolarHBondContact O-N 2.91Å; G559-F561 VanDerWaalsContact O-N 3.08Å |
| 560 | P | 59.1 | Low | 72.7 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 13% | 0.13 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -56.8 | -19.7 | 175.8 | -23.8 | 28 | 0 | 0 | 0 | 115.3 | A491 R492 L557 D562 | A491-P560 HydrophobicContact CB-CG 4.21Å; R492-P560 HydrophobicContact CG-CB 4.08Å; R492-P560 HydrophobicContact CG-CG 3.9Å; L557-P560 WeakPolarHBondContact O-CD 3.44Å; P560-D562 PolarHBondContact O-N 3.42Å |
| 561 | F | 55.8 | Low | 72.3 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -74.9 | -19.8 | -170 | -65.5 | -50.2 | 0 | 0 | 0 | 115.1 | I495 W499 L557 T558 G559 A563 W564 | I495-F561 HydrophobicContact CD1-CE1 3.78Å; I495-F561 HydrophobicContact CD1-CZ 4.02Å; I495-F561 HydrophobicContact CG1-CE1 3.8Å; I495-F561 HydrophobicContact CG1-CZ 4.45Å; W499-F561 AromaticContact CE3-CZ 3.75Å; W499-F561 HydrophobicContact CE3-CZ 3.75Å; W499-F561 HydrophobicContact CZ3-CE2 4.06Å; W499-F561 AromaticContact CZ3-CZ 3.59Å; W499-F561 HydrophobicContact CZ3-CZ 3.59Å; L557-F561 VanDerWaalsContact C-CE2 3.42Å; L557-F561 HydrophobicContact CB-CE2 4.12Å; L557-F561 HydrophobicContact CB-CZ 4.09Å; L557-F561 WeakPolarHBondContact O-CD2 3.45Å; L557-F561 WeakPolarHBondContact O-CE2 3.4Å; L557-F561 VanDerWaalsContact O-CZ 3.27Å; L557-F561 WeakPolarHBondContact O-CZ 3.41Å; T558-F561 VanDerWaalsContact CA-CD2 3.47Å; T558-F561 WeakPolarHBondContact O-CB 3.33Å; T558-F561 WeakPolarHBondContact O-CD2 3.46Å; T558-F561 PolarHBondContact O-N 3.25Å; G559-F561 PolarHBondContact O-N 2.91Å; G559-F561 VanDerWaalsContact O-N 3.08Å; F561-A563 PolarHBondContact O-N 3.01Å; F561-W564 PolarHBondContact O-N 2.87Å |
| 562 | D | 52 | Low | 71.9 | Confident | 143 Ų | 143 | 57.4 Ų | 57.4 | 77% | 0.765 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.8 | -10.8 | -178.1 | -71.9 | -21.6 | 0 | 0 | 0 | 113.4 | P560 | P560-D562 PolarHBondContact O-N 3.42Š|
| 563 | A | 49.7 | Very low | 71.7 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 72% | 0.719 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -107.8 | -0.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | F561 | F561-A563 PolarHBondContact O-N 3.01Š|
| 564 | W | 52.2 | Low | 71.6 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -121.6 | 146.3 | -162.5 | -66.4 | 52.3 | 0 | 0 | 0 | 114.9 | I495 F561 C566 | I495-W564 HydrophobicContact CG2-CE3 3.97Å; I495-W564 HydrophobicContact CG2-CH2 3.82Å; I495-W564 HydrophobicContact CG2-CZ3 3.4Å; F561-W564 PolarHBondContact O-N 2.87Å; W564-C566 PolarHBondContact O-N 3.45Å |
| 565 | N | 50 | Low | 71.5 | Confident | 154 Ų | 154 | 63.3 Ų | 63.3 | 82% | 0.824 | 36% | 0.359 | S | S | * | . | trans | -55.1 | 123.1 | -175.8 | -97.5 | -26.2 | 0 | 0 | 0 | 113.5 | G567 H569 | N565-G567 PolarHBondContact O-N 3.16Å; N565-H569 PolarHBondContact O-ND1 3.03Å | ||
| 566 | C | 51 | Low | 71.7 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 73% | 0.73 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.1 | -0.7 | -158 | -74.7 | 0 | 0 | 0 | 0 | 118.8 | W564 | W564-C566 PolarHBondContact O-N 3.45Å |
| 567 | G | 60.1 | Low | 72.1 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72.3 | -73.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N565 H569 F570 | N565-G567 PolarHBondContact O-N 3.16Å; G567-H569 PolarHBondContact O-N 2.62Å; G567-F570 PolarHBondContact O-N 2.92Å |
| 568 | D | 67.4 | Low | 72.4 | Confident | 124 Ų | 124 | 64.4 Ų | 64.4 | 66% | 0.663 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.2 | -25.3 | -175.6 | -67.1 | -15.7 | 0 | 0 | 0 | 113.3 | ||
| 569 | H | 70.7 | Confident | 73 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 17% | 0.171 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.9 | -33.9 | -179.5 | -65.5 | 88.4 | 0 | 0 | 0 | 112.5 | N565 G567 C573 | N565-H569 PolarHBondContact O-ND1 3.03Å; G567-H569 PolarHBondContact O-N 2.62Å; H569-C573 PolarHBondContact O-N 3.36Å; H569-C573 VanDerWaalsContact O-N 3.14Å; H569-C573 PolarHBondContact O-SG 3.02Å |
| 570 | F | 77.1 | Confident | 74.2 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -50.8 | 178.4 | 178.9 | -95.9 | 0 | 0 | 0 | 110.9 | G567 R572 C573 Y574 W623 C627 | G567-F570 PolarHBondContact O-N 2.92Å; F570-R572 PolarHBondContact O-N 2.78Å; F570-C573 PolarHBondContact O-N 3.47Å; F570-Y574 WeakPolarHBondContact O-CB 3.15Å; F570-Y574 PolarHBondContact O-N 2.92Å; F570-W623 HydrophobicContact CD2-CH2 4.38Å; F570-W623 AromaticContact CD2-CZ2 3.7Å; F570-W623 HydrophobicContact CD2-CZ2 3.7Å; F570-W623 HydrophobicContact CE2-CH2 4.28Å; F570-W623 HydrophobicContact CE2-CZ2 4.03Å; F570-W623 HydrophobicContact CG-CZ2 4.39Å; F570-C627 HydrophobicContact CD2-CB 4.45Å; F570-C627 VanDerWaalsContact CD2-SG 3.51Å; F570-C627 HydrophobicContact CE2-CB 3.82Å; F570-C627 WeakPolarHBondContact CE2-SG 3.43Å |
| 571 | E | 84.7 | Confident | 75.9 | Confident | 84 Ų | 84 | 64 Ų | 64 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | -177.8 | -63.6 | -55.2 | 153.8 | 0 | 0 | 112.3 | Y574 E575 R637 | E571-Y574 PolarHBondContact O-N 3.41Å; E571-E575 WeakPolarHBondContact O-CB 3.44Å; E571-E575 PolarHBondContact O-N 2.88Å; E571-R637 VanDerWaalsContact CD-NH1 3.3Å; E571-R637 IonicContact OE1-CZ 2.78Å; E571-R637 IonicContact OE1-NH1 3.77Å; E571-R637 PolarHBondContact OE1-NH1 3.4Å; E571-R637 IonicContact OE1-NH2 3.65Å; E571-R637 PolarHBondContact OE1-NH2 3.19Å; E571-R637 IonicContact OE2-CZ 2.92Å; E571-R637 IonicContact OE2-NH1 3.91Å; E571-R637 PolarHBondContact OE2-NH1 3.5Å; E571-R637 IonicContact OE2-NH2 2.66Å |
| 572 | R | 86.8 | Confident | 77.7 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 33% | 0.328 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | -179.9 | -69.6 | -179.8 | -174.9 | 177.2 | 4.2 | 112 | N496 W499 F570 Y574 E575 F576 | N496-R572 PolarHBondContact OD1-NH1 3.49Å; W499-R572 HydrophobicContact CZ2-CB 3.76Å; W499-R572 WeakPolarHBondContact CZ2-O 3.34Å; F570-R572 PolarHBondContact O-N 2.78Å; R572-Y574 VanDerWaalsContact C-N 3.35Å; R572-E575 PolarHBondContact O-N 3.47Å; R572-F576 PolarHBondContact O-N 3.22Å |
| 573 | C | 88 | Confident | 79.7 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 179.5 | -68 | 0 | 0 | 0 | 0 | 111.6 | H569 F570 F576 L577 Y620 W623 | H569-C573 PolarHBondContact O-N 3.36Å; H569-C573 VanDerWaalsContact O-N 3.14Å; H569-C573 PolarHBondContact O-SG 3.02Å; F570-C573 PolarHBondContact O-N 3.47Å; C573-F576 PolarHBondContact O-N 2.99Å; C573-L577 WeakPolarHBondContact O-CB 3.29Å; C573-L577 WeakPolarHBondContact O-CG 3.33Å; C573-L577 PolarHBondContact O-N 3.05Å; C573-Y620 HydrophobicContact CB-CE1 4.47Å; C573-W623 HydrophobicContact CB-CD2 4.05Å; C573-W623 VanDerWaalsContact CB-CE2 3.49Å; C573-W623 HydrophobicContact CB-CE3 4.43Å; C573-W623 HydrophobicContact CB-CH2 3.91Å; C573-W623 HydrophobicContact CB-CZ2 3.42Å; C573-W623 VanDerWaalsContact CB-CZ2 3.42Å; C573-W623 HydrophobicContact CB-CZ3 4.39Å |
| 574 | Y | 89.5 | Confident | 81.8 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.7 | 177.7 | -102.5 | 0 | 0 | 0 | 111.9 | F570 E571 R572 F576 L577 T578 E640 L644 | F570-Y574 WeakPolarHBondContact O-CB 3.15Å; F570-Y574 PolarHBondContact O-N 2.92Å; E571-Y574 PolarHBondContact O-N 3.41Å; R572-Y574 VanDerWaalsContact C-N 3.35Å; Y574-F576 PolarHBondContact O-N 3.44Å; Y574-L577 PolarHBondContact O-N 3.46Å; Y574-T578 WeakPolarHBondContact O-CB 3.45Å; Y574-T578 PolarHBondContact O-N 2.79Å; Y574-T578 PolarHBondContact O-OG1 3.42Å; Y574-E640 HydrophobicContact CE2-CB 3.89Å; Y574-E640 VanDerWaalsContact OH-CB 3.31Å; Y574-E640 WeakPolarHBondContact OH-CB 3.45Å; Y574-E640 VanDerWaalsContact OH-CG 3.31Å; Y574-E640 WeakPolarHBondContact OH-CG 3.31Å; Y574-E640 PolarHBondContact OH-OE2 3.02Å; Y574-L644 HydrophobicContact CD2-CD1 3.9Å; Y574-L644 HydrophobicContact CE2-CD1 3.99Å; Y574-L644 HydrophobicContact CE2-CG 4.49Å |
| 575 | E | 91.4 | Very high | 83.7 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.8 | -178 | 176.5 | -166.2 | 0 | 0 | 111.3 | E571 R572 T578 R579 | E571-E575 WeakPolarHBondContact O-CB 3.44Å; E571-E575 PolarHBondContact O-N 2.88Å; R572-E575 PolarHBondContact O-N 3.47Å; E575-T578 PolarHBondContact O-N 3.22Å; E575-R579 PolarHBondContact O-N 3.42Å; E575-R579 IonicContact OE1-CZ 3.04Å; E575-R579 IonicContact OE1-NE 3.17Å; E575-R579 IonicContact OE1-NH2 3.24Å; E575-R579 PolarHBondContact OE1-NH2 3.42Å |
| 576 | F | 94.1 | Very high | 85.5 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.2 | -52.5 | 175.7 | 166.6 | -107.9 | 0 | 0 | 0 | 111.9 | W499 M503 Y506 A554 R572 C573 Y574 T578 R579 H580 Y620 | W499-F576 HydrophobicContact CH2-CB 4.3Å; W499-F576 HydrophobicContact CZ2-CB 4.18Å; M503-F576 HydrophobicContact CE-CD1 4.49Å; M503-F576 HydrophobicContact CE-CD2 3.85Å; M503-F576 HydrophobicContact CE-CE2 4.17Å; M503-F576 HydrophobicContact CE-CG 4.01Å; M503-F576 HydrophobicContact SD-CB 4.03Å; M503-F576 HydrophobicContact SD-CD2 3.35Å; M503-F576 WeakPolarHBondContact SD-CD2 3.24Å; M503-F576 HydrophobicContact SD-CE2 4.02Å; M503-F576 HydrophobicContact SD-CG 3.83Å; Y506-F576 HydrophobicContact CD1-CD2 4.07Å; Y506-F576 HydrophobicContact CD1-CE2 4.01Å; Y506-F576 AromaticContact CD2-CE2 3.83Å; Y506-F576 HydrophobicContact CD2-CE2 3.83Å; Y506-F576 HydrophobicContact CE1-CD2 4.03Å; Y506-F576 AromaticContact CE1-CE2 3.91Å; Y506-F576 HydrophobicContact CE1-CE2 3.91Å; Y506-F576 AromaticContact CE2-CE2 3.73Å; Y506-F576 HydrophobicContact CE2-CE2 3.73Å; Y506-F576 HydrophobicContact CE2-CZ 4.46Å; Y506-F576 HydrophobicContact CG-CD2 4.4Å; Y506-F576 AromaticContact CG-CE2 3.97Å; Y506-F576 HydrophobicContact CG-CE2 3.97Å; Y506-F576 AromaticContact CZ-CE2 3.77Å; A554-F576 HydrophobicContact CB-CE2 4.18Å; A554-F576 HydrophobicContact CB-CZ 3.85Å; R572-F576 PolarHBondContact O-N 3.22Å; C573-F576 PolarHBondContact O-N 2.99Å; Y574-F576 PolarHBondContact O-N 3.44Å; F576-T578 VanDerWaalsContact C-N 3.29Å; F576-T578 PolarHBondContact O-N 2.94Å; F576-R579 PolarHBondContact O-N 3.31Å; F576-H580 WeakPolarHBondContact O-CB 3.37Å; F576-H580 PolarHBondContact O-N 2.95Å; F576-Y620 HydrophobicContact CD1-CE1 4.33Å; F576-Y620 HydrophobicContact CD1-CE2 4.22Å; F576-Y620 AromaticContact CD1-CZ 3.87Å; F576-Y620 HydrophobicContact CE1-CD2 4.29Å; F576-Y620 HydrophobicContact CE1-CE1 4.49Å; F576-Y620 AromaticContact CE1-CE2 3.57Å; F576-Y620 HydrophobicContact CE1-CE2 3.57Å; F576-Y620 AromaticContact CE1-CZ 3.68Å; F576-Y620 HydrophobicContact CZ-CE2 4.5Å |
| 577 | L | 94.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -30.6 | -176.9 | -78 | 170.8 | 0 | 0 | 0 | 112.9 | C573 Y574 H580 C581 Y620 W623 L624 L644 | C573-L577 WeakPolarHBondContact O-CB 3.29Å; C573-L577 WeakPolarHBondContact O-CG 3.33Å; C573-L577 PolarHBondContact O-N 3.05Å; Y574-L577 PolarHBondContact O-N 3.46Å; L577-H580 PolarHBondContact O-N 2.99Å; L577-C581 WeakPolarHBondContact O-CB 3.38Å; L577-C581 PolarHBondContact O-N 2.9Å; L577-C581 PolarHBondContact O-SG 3.16Å; L577-Y620 HydrophobicContact CD1-CD1 4Å; L577-Y620 HydrophobicContact CD1-CG 4.2Å; L577-Y620 HydrophobicContact CD2-CD2 4.35Å; L577-Y620 HydrophobicContact CD2-CG 4.12Å; L577-Y620 HydrophobicContact CG-CD1 4.41Å; L577-Y620 HydrophobicContact CG-CG 4.47Å; L577-W623 HydrophobicContact CD1-CE3 3.67Å; L577-W623 HydrophobicContact CD1-CH2 4.26Å; L577-W623 HydrophobicContact CD1-CZ3 3.33Å; L577-L624 HydrophobicContact CD1-CD1 4.41Å; L577-L624 HydrophobicContact CD1-CD2 4.11Å; L577-L624 HydrophobicContact CD1-CG 4.15Å; L577-L644 HydrophobicContact CB-CD1 4.24Å; L577-L644 HydrophobicContact CB-CD2 4.31Å |
| 578 | T | 94 | Very high | 88.6 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.9 | -49.8 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | Y574 E575 F576 H580 C581 E582 | Y574-T578 WeakPolarHBondContact O-CB 3.45Å; Y574-T578 PolarHBondContact O-N 2.79Å; Y574-T578 PolarHBondContact O-OG1 3.42Å; E575-T578 PolarHBondContact O-N 3.22Å; F576-T578 VanDerWaalsContact C-N 3.29Å; F576-T578 PolarHBondContact O-N 2.94Å; T578-H580 VanDerWaalsContact C-N 3.29Å; T578-H580 PolarHBondContact O-N 3.23Å; T578-C581 WeakPolarHBondContact O-CB 3.36Å; T578-C581 PolarHBondContact O-N 3.49Å; T578-E582 PolarHBondContact O-N 3.45Å |
| 579 | R | 94.2 | Very high | 89.4 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.4 | -35.6 | 175.1 | -65.7 | 175.9 | -174.8 | 174.2 | -2.1 | 111.9 | Y506 E507 E575 F576 C581 E582 M583 | Y506-R579 HydrophobicContact CE1-CB 4.43Å; E507-R579 VanDerWaalsContact CD-NH1 3.26Å; E507-R579 IonicContact OE1-CZ 2.68Å; E507-R579 IonicContact OE1-NH1 2.65Å; E507-R579 PolarHBondContact OE1-NH1 2.95Å; E507-R579 IonicContact OE1-NH2 3.56Å; E575-R579 PolarHBondContact O-N 3.42Å; E575-R579 IonicContact OE1-CZ 3.04Å; E575-R579 IonicContact OE1-NE 3.17Å; E575-R579 IonicContact OE1-NH2 3.24Å; E575-R579 PolarHBondContact OE1-NH2 3.42Å; F576-R579 PolarHBondContact O-N 3.31Å; R579-C581 VanDerWaalsContact C-N 3.33Å; R579-E582 PolarHBondContact O-N 3.44Å; R579-M583 PolarHBondContact O-N 3.45Å; R579-M583 VanDerWaalsContact O-N 3.13Å |
| 580 | H | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -36.4 | 175.1 | -165.2 | 68.5 | 0 | 0 | 0 | 112.8 | Y506 F576 L577 T578 M583 T584 A613 C616 F617 | Y506-H580 VanDerWaalsContact OH-CA 3.27Å; Y506-H580 WeakPolarHBondContact OH-CA 3.48Å; Y506-H580 PolarHBondContact OH-ND1 3.45Å; F576-H580 WeakPolarHBondContact O-CB 3.37Å; F576-H580 PolarHBondContact O-N 2.95Å; L577-H580 PolarHBondContact O-N 2.99Å; T578-H580 VanDerWaalsContact C-N 3.29Å; T578-H580 PolarHBondContact O-N 3.23Å; H580-M583 PolarHBondContact O-N 3.16Å; H580-T584 WeakPolarHBondContact O-CB 3.41Å; H580-T584 PolarHBondContact O-N 3.45Å; H580-T584 PolarHBondContact O-OG1 3.42Å; H580-A613 PolarHBondContact NE2-O 3.24Å; H580-C616 WeakPolarHBondContact NE2-CB 3.33Å; H580-F617 AromaticContact CD2-CE2 3.83Å; H580-F617 AromaticContact CD2-CZ 3.78Å |
| 581 | C | 95.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.054 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 172.8 | -74.9 | 0 | 0 | 0 | 0 | 111.8 | L577 T578 R579 M583 T584 L585 L644 T647 | L577-C581 WeakPolarHBondContact O-CB 3.38Å; L577-C581 PolarHBondContact O-N 2.9Å; L577-C581 PolarHBondContact O-SG 3.16Å; T578-C581 WeakPolarHBondContact O-CB 3.36Å; T578-C581 PolarHBondContact O-N 3.49Å; R579-C581 VanDerWaalsContact C-N 3.33Å; C581-M583 PolarHBondContact O-N 3.46Å; C581-T584 PolarHBondContact O-N 2.81Å; C581-L585 WeakPolarHBondContact O-CB 3.35Å; C581-L585 VanDerWaalsContact O-CG 3.31Å; C581-L585 WeakPolarHBondContact O-CG 3.22Å; C581-L585 PolarHBondContact O-N 3.32Å; C581-L644 HydrophobicContact CB-CD2 4.44Å; C581-L644 WeakPolarHBondContact SG-CD2 3.35Å; C581-T647 HydrophobicContact CB-CG2 3.91Å |
| 582 | E | 93.8 | Very high | 89.7 | Confident | 127 Ų | 127 | 40.7 Ų | 40.7 | 59% | 0.593 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -60.2 | -46.1 | 176.8 | -65.7 | 176.5 | 171.9 | 0 | 0 | 111.7 | T578 R579 L585 L586 | T578-E582 PolarHBondContact O-N 3.45Å; R579-E582 PolarHBondContact O-N 3.44Å; E582-L585 PolarHBondContact O-N 3.08Å; E582-L586 PolarHBondContact O-N 3.47Å |
| 583 | M | 94.6 | Very high | 89 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -40.7 | 176.8 | -72.1 | -59 | -63.4 | 0 | 0 | 112.5 | A510 V513 Q514 Y547 R579 H580 C581 L585 L586 L587 | A510-M583 HydrophobicContact CB-CE 4.37Å; A510-M583 HydrophobicContact CB-CG 4.27Å; A510-M583 HydrophobicContact CB-SD 4.28Å; V513-M583 HydrophobicContact CB-CE 4.33Å; V513-M583 HydrophobicContact CG1-CE 4.06Å; Q514-M583 HydrophobicContact CB-CE 4.33Å; Q514-M583 HydrophobicContact CB-SD 4.14Å; Y547-M583 HydrophobicContact CE1-CE 4.23Å; Y547-M583 VanDerWaalsContact OH-CB 3.31Å; Y547-M583 WeakPolarHBondContact OH-CB 3.5Å; Y547-M583 WeakPolarHBondContact OH-CG 3.5Å; R579-M583 PolarHBondContact O-N 3.45Å; R579-M583 VanDerWaalsContact O-N 3.13Å; H580-M583 PolarHBondContact O-N 3.16Å; C581-M583 PolarHBondContact O-N 3.46Å; M583-L585 VanDerWaalsContact C-N 3.34Å; M583-L585 PolarHBondContact O-N 3.47Å; M583-L586 HydrophobicContact CE-CD2 4.48Å; M583-L586 WeakPolarHBondContact O-CB 3.33Å; M583-L586 PolarHBondContact O-N 3.05Å; M583-L586 HydrophobicContact SD-CD2 4.37Å; M583-L587 WeakPolarHBondContact O-CB 3.34Å; M583-L587 WeakPolarHBondContact O-CG 3.18Å; M583-L587 PolarHBondContact O-N 3.44Å |
| 584 | T | 93.5 | Very high | 87.9 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | H580 C581 L587 T588 F617 A651 | H580-T584 WeakPolarHBondContact O-CB 3.41Å; H580-T584 PolarHBondContact O-N 3.45Å; H580-T584 PolarHBondContact O-OG1 3.42Å; C581-T584 PolarHBondContact O-N 2.81Å; T584-L587 PolarHBondContact O-N 3.24Å; T584-T588 WeakPolarHBondContact O-CB 3.49Å; T584-T588 PolarHBondContact O-N 3.48Å; T584-T588 PolarHBondContact O-OG1 2.89Å; T584-F617 HydrophobicContact CG2-CE2 3.95Å; T584-F617 WeakPolarHBondContact OG1-CE2 3.48Å; T584-A651 HydrophobicContact CG2-CB 3.78Å |
| 585 | L | 90.8 | Very high | 86.2 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.6 | -75.5 | 169.5 | 0 | 0 | 0 | 111.7 | C581 E582 M583 R589 T647 | C581-L585 WeakPolarHBondContact O-CB 3.35Å; C581-L585 VanDerWaalsContact O-CG 3.31Å; C581-L585 WeakPolarHBondContact O-CG 3.22Å; C581-L585 PolarHBondContact O-N 3.32Å; E582-L585 PolarHBondContact O-N 3.08Å; M583-L585 VanDerWaalsContact C-N 3.34Å; M583-L585 PolarHBondContact O-N 3.47Å; L585-R589 WeakPolarHBondContact O-CB 3.49Å; L585-R589 VanDerWaalsContact O-CG 3.25Å; L585-R589 WeakPolarHBondContact O-CG 3.16Å; L585-R589 PolarHBondContact O-N 3.46Å; L585-T647 HydrophobicContact CD1-CG2 3.84Å; L585-T647 HydrophobicContact CD2-CG2 3.88Å; L585-T647 HydrophobicContact CG-CG2 3.63Å |
| 586 | L | 89.4 | Confident | 84.5 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -52.6 | 175.4 | 177.8 | 66.1 | 0 | 0 | 0 | 110.8 | Q514 I517 V518 E582 M583 T588 R589 S590 | Q514-L586 HydrophobicContact CB-CD2 4.03Å; Q514-L586 HydrophobicContact CG-CD2 3.76Å; I517-L586 HydrophobicContact CB-CD2 4.47Å; I517-L586 HydrophobicContact CD1-CD2 4.39Å; I517-L586 HydrophobicContact CG2-CD1 4.12Å; I517-L586 HydrophobicContact CG2-CD2 4.32Å; I517-L586 HydrophobicContact CG2-CG 4.05Å; V518-L586 HydrophobicContact CG2-CD1 4.38Å; E582-L586 PolarHBondContact O-N 3.47Å; M583-L586 HydrophobicContact CE-CD2 4.48Å; M583-L586 WeakPolarHBondContact O-CB 3.33Å; M583-L586 PolarHBondContact O-N 3.05Å; M583-L586 HydrophobicContact SD-CD2 4.37Å; L586-T588 PolarHBondContact O-N 3.32Å; L586-R589 PolarHBondContact O-N 3.36Å; L586-S590 VanDerWaalsContact O-CB 3.3Å; L586-S590 WeakPolarHBondContact O-CB 3.29Å; L586-S590 PolarHBondContact O-N 3.15Å; L586-S590 PolarHBondContact O-OG 3.37Å |
| 587 | L | 88.7 | Confident | 82.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57 | -49.7 | 179.1 | -74.9 | 164.8 | 0 | 0 | 0 | 111.5 | I517 Y547 M583 T584 R589 S590 F591 T609 M610 A613 | I517-L587 HydrophobicContact CD1-CD2 3.46Å; I517-L587 VanDerWaalsContact CD1-CD2 3.46Å; I517-L587 HydrophobicContact CD1-CG 4.2Å; Y547-L587 HydrophobicContact CE1-CD1 4.49Å; M583-L587 WeakPolarHBondContact O-CB 3.34Å; M583-L587 WeakPolarHBondContact O-CG 3.18Å; M583-L587 PolarHBondContact O-N 3.44Å; T584-L587 PolarHBondContact O-N 3.24Å; L587-R589 PolarHBondContact O-N 3.11Å; L587-S590 PolarHBondContact O-N 3.12Å; L587-F591 WeakPolarHBondContact O-CB 3.31Å; L587-F591 PolarHBondContact O-N 3.42Å; L587-T609 HydrophobicContact CD1-CG2 4.38Å; L587-T609 HydrophobicContact CD2-CG2 4.39Å; L587-M610 HydrophobicContact CB-CG 4Å; L587-M610 HydrophobicContact CD2-CG 4.45Å; L587-A613 HydrophobicContact CD1-CB 4.17Å |
| 588 | T | 86.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | -179.2 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | T584 L586 S590 F591 F592 A654 | T584-T588 WeakPolarHBondContact O-CB 3.49Å; T584-T588 PolarHBondContact O-N 3.48Å; T584-T588 PolarHBondContact O-OG1 2.89Å; L586-T588 PolarHBondContact O-N 3.32Å; T588-S590 VanDerWaalsContact C-N 3.31Å; T588-S590 PolarHBondContact O-N 2.87Å; T588-F591 PolarHBondContact O-N 2.83Å; T588-F592 HydrophobicContact CG2-CD2 3.73Å; T588-F592 HydrophobicContact CG2-CE2 3.99Å; T588-F592 VanDerWaalsContact O-CD2 3.3Å; T588-F592 WeakPolarHBondContact O-CD2 3.39Å; T588-F592 PolarHBondContact O-N 2.89Å; T588-F592 VanDerWaalsContact O-N 3.11Å; T588-A654 HydrophobicContact CG2-CB 3.84Å |
| 589 | R | 83.2 | Confident | 79 | Confident | 157 Ų | 157 | 53 Ų | 53 | 59% | 0.592 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.4 | -39.7 | 177.1 | -74.8 | 175.3 | 179.7 | 177.1 | 2.2 | 111.8 | L585 L586 L587 F591 N593 | L585-R589 WeakPolarHBondContact O-CB 3.49Å; L585-R589 VanDerWaalsContact O-CG 3.25Å; L585-R589 WeakPolarHBondContact O-CG 3.16Å; L585-R589 PolarHBondContact O-N 3.46Å; L586-R589 PolarHBondContact O-N 3.36Å; L587-R589 PolarHBondContact O-N 3.11Å; R589-F591 VanDerWaalsContact C-N 3.33Å; R589-N593 WeakPolarHBondContact O-CB 3.44Å; R589-N593 PolarHBondContact O-N 3.44Å; R589-N593 PolarHBondContact O-ND2 2.86Å |
| 590 | S | 79.7 | Confident | 77.8 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.3 | -34.9 | -178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | I517 H522 L586 L587 T588 Y599 | I517-S590 WeakPolarHBondContact CG2-OG 3.1Å; H522-S590 PolarHBondContact CE1-OG 3Å; H522-S590 VanDerWaalsContact CE1-OG 3.31Å; L586-S590 VanDerWaalsContact O-CB 3.3Å; L586-S590 WeakPolarHBondContact O-CB 3.29Å; L586-S590 PolarHBondContact O-N 3.15Å; L586-S590 PolarHBondContact O-OG 3.37Å; L587-S590 PolarHBondContact O-N 3.12Å; T588-S590 VanDerWaalsContact C-N 3.31Å; T588-S590 PolarHBondContact O-N 2.87Å; S590-Y599 PolarHBondContact O-OH 2.67Å |
| 591 | F | 79.7 | Confident | 76.7 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.7 | -46.7 | -178.7 | -170.4 | -98.8 | 0 | 0 | 0 | 112.6 | L587 T588 R589 Y599 I606 V607 M610 L665 | L587-F591 WeakPolarHBondContact O-CB 3.31Å; L587-F591 PolarHBondContact O-N 3.42Å; T588-F591 PolarHBondContact O-N 2.83Å; R589-F591 VanDerWaalsContact C-N 3.33Å; F591-Y599 HydrophobicContact CD2-CE1 4.36Å; F591-Y599 PolarHBondContact O-OH 3.04Å; F591-I606 HydrophobicContact CD2-CG2 3.69Å; F591-I606 HydrophobicContact CE2-CG2 4.3Å; F591-V607 HydrophobicContact CE2-CG2 3.84Å; F591-V607 HydrophobicContact CZ-CG2 3.86Å; F591-M610 HydrophobicContact CB-CE 3.97Å; F591-M610 HydrophobicContact CB-SD 3.44Å; F591-M610 WeakPolarHBondContact CB-SD 3.41Å; F591-M610 HydrophobicContact CD1-CE 4.2Å; F591-M610 HydrophobicContact CD1-SD 4.05Å; F591-M610 HydrophobicContact CD2-SD 3.82Å; F591-M610 HydrophobicContact CG-CE 4.15Å; F591-M610 HydrophobicContact CG-SD 3.5Å; F591-M610 WeakPolarHBondContact CG-SD 3.42Å; F591-L665 HydrophobicContact CE1-CD2 4.22Å |
| 592 | F | 79.3 | Confident | 75.8 | Confident | 49 Ų | 49 | 56 Ų | 56 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -88.3 | -19.4 | -172.8 | -67.8 | -69.9 | 0 | 0 | 0 | 115.2 | T588 M610 A654 V655 D658 | T588-F592 HydrophobicContact CG2-CD2 3.73Å; T588-F592 HydrophobicContact CG2-CE2 3.99Å; T588-F592 VanDerWaalsContact O-CD2 3.3Å; T588-F592 WeakPolarHBondContact O-CD2 3.39Å; T588-F592 PolarHBondContact O-N 2.89Å; T588-F592 VanDerWaalsContact O-N 3.11Å; F592-M610 HydrophobicContact CE2-CE 3.9Å; F592-A654 HydrophobicContact CD2-CB 4.31Å; F592-A654 HydrophobicContact CE2-CB 4.33Å; F592-V655 HydrophobicContact CE2-CG2 3.84Å; F592-V655 HydrophobicContact CZ-CB 4.26Å; F592-V655 HydrophobicContact CZ-CG2 3.83Å; F592-D658 HydrophobicContact CE1-CB 4.13Å |
| 593 | N | 73.7 | Confident | 75.1 | Confident | 125 Ų | 125 | 53.6 Ų | 53.6 | 67% | 0.668 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.2 | -174.9 | -64.7 | -35.7 | 0 | 0 | 0 | 114.9 | R589 | R589-N593 WeakPolarHBondContact O-CB 3.44Å; R589-N593 PolarHBondContact O-N 3.44Å; R589-N593 PolarHBondContact O-ND2 2.86Å |
| 594 | K | 63.8 | Low | 74.5 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -124.5 | 151.6 | -174.7 | -84.9 | -150.1 | 150.1 | -170.1 | 0 | 114.7 | F521 T596 I598 Y599 | F521-K594 HydrophobicContact CB-CD 4.25Å; F521-K594 HydrophobicContact CD1-CD 4.45Å; F521-K594 VanDerWaalsContact O-CD 3.22Å; F521-K594 WeakPolarHBondContact O-CD 3.34Å; F521-K594 WeakPolarHBondContact O-CE 3.48Å; F521-K594 PolarHBondContact O-NZ 3.5Å; K594-T596 PolarHBondContact O-N 3.41Å; K594-I598 HydrophobicContact CD-CD1 4.18Å; K594-Y599 HydrophobicContact CB-CE2 4.43Å; K594-Y599 WeakPolarHBondContact CB-OH 3.22Å |
| 595 | P | 54.2 | Low | 73.9 | Confident | 84 Ų | 84 | 60 Ų | 60 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | trans | -63.5 | 132.7 | -178.3 | -13.1 | 26.8 | 0 | 0 | 0 | 110.4 | S597 I598 | P595-S597 PolarHBondContact O-N 2.66Å; P595-I598 PolarHBondContact O-N 2.95Å | ||
| 596 | T | 55.4 | Low | 73.6 | Confident | 112 Ų | 112 | 57.7 Ų | 57.7 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -51.1 | -15.9 | -177.2 | 30.4 | 0 | 0 | 0 | 0 | 115.3 | K594 I598 F661 | K594-T596 PolarHBondContact O-N 3.41Å; T596-I598 PolarHBondContact O-N 3.43Å; T596-F661 HydrophobicContact CG2-CZ 4.35Å |
| 597 | S | 52.7 | Low | 73.4 | Confident | 107 Ų | 107 | 56.5 Ų | 56.5 | 75% | 0.748 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -72 | -3.6 | -179 | 64.2 | 0 | 0 | 0 | 0 | 115.6 | P595 | P595-S597 PolarHBondContact O-N 2.66Š|
| 598 | I | 54.9 | Low | 73.3 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -99.7 | -13.9 | -174.8 | -57.6 | 173.4 | 0 | 0 | 0 | 112.1 | F521 F529 K594 P595 T596 | F521-I598 HydrophobicContact CD1-CG2 4.14Å; F521-I598 HydrophobicContact CE1-CG2 3.89Å; F529-I598 HydrophobicContact CD2-CG2 3.68Å; F529-I598 HydrophobicContact CE2-CG2 3.62Å; F529-I598 WeakPolarHBondContact CE2-O 3.44Å; F529-I598 WeakPolarHBondContact CZ-O 3.17Å; K594-I598 HydrophobicContact CD-CD1 4.18Å; P595-I598 PolarHBondContact O-N 2.95Å; T596-I598 PolarHBondContact O-N 3.43Å |
| 599 | Y | 60.1 | Low | 73.4 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | trans | -92.6 | -8.7 | -165.1 | -65 | -77 | 0 | 0 | 0 | 116.4 | F521 S590 F591 K594 V601 F602 E603 I606 | F521-Y599 HydrophobicContact CD1-CE1 4.06Å; F521-Y599 AromaticContact CE1-CD1 3.96Å; F521-Y599 HydrophobicContact CE1-CD1 3.96Å; F521-Y599 AromaticContact CE1-CE1 3.43Å; F521-Y599 HydrophobicContact CE1-CE1 3.43Å; F521-Y599 VanDerWaalsContact CE1-CE1 3.43Å; F521-Y599 HydrophobicContact CZ-CD1 4.39Å; F521-Y599 HydrophobicContact CZ-CE1 4.05Å; S590-Y599 PolarHBondContact O-OH 2.67Å; F591-Y599 HydrophobicContact CD2-CE1 4.36Å; F591-Y599 PolarHBondContact O-OH 3.04Å; K594-Y599 HydrophobicContact CB-CE2 4.43Å; K594-Y599 WeakPolarHBondContact CB-OH 3.22Å; Y599-V601 VanDerWaalsContact C-N 3.33Å; Y599-V601 PolarHBondContact O-N 3.21Å; Y599-F602 CarbonylContact O-C 3.38Å; Y599-F602 PolarHBondContact O-N 3.19Å; Y599-E603 WeakPolarHBondContact O-CA 3.32Å; Y599-E603 VanDerWaalsContact O-CB 3.3Å; Y599-E603 WeakPolarHBondContact O-CB 3.17Å; Y599-E603 PolarHBondContact O-N 3.14Å; Y599-I606 HydrophobicContact CD1-CD1 4.2Å; Y599-I606 HydrophobicContact CE1-CD1 4.29Å | ||
| 600 | G | 68.1 | Low | 73.7 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 72% | 0.722 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | -47.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 601 | V | 72.7 | Confident | 74.2 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -18.6 | -178.1 | -169.7 | 0 | 0 | 0 | 0 | 113.5 | V537 Y599 | V537-V601 HydrophobicContact CG1-CB 4.48Å; V537-V601 HydrophobicContact CG1-CG1 3.55Å; Y599-V601 VanDerWaalsContact C-N 3.33Å; Y599-V601 PolarHBondContact O-N 3.21Å |
| 602 | F | 77.2 | Confident | 74.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -4.8 | -176.8 | -60.7 | -58.5 | 0 | 0 | 0 | 113.8 | V520 F529 M532 V537 V540 N541 Y599 E604 P605 I606 | V520-F602 HydrophobicContact CG1-CE2 4.43Å; F529-F602 HydrophobicContact CE1-CE2 4.29Å; F529-F602 AromaticContact CE2-CD2 3.77Å; F529-F602 HydrophobicContact CE2-CD2 3.77Å; F529-F602 AromaticContact CE2-CE2 3.67Å; F529-F602 HydrophobicContact CE2-CE2 3.67Å; F529-F602 AromaticContact CZ-CD2 3.38Å; F529-F602 HydrophobicContact CZ-CD2 3.38Å; F529-F602 AromaticContact CZ-CE2 3.33Å; F529-F602 HydrophobicContact CZ-CE2 3.33Å; M532-F602 HydrophobicContact CE-CE2 3.69Å; M532-F602 HydrophobicContact CE-CZ 4.05Å; V537-F602 HydrophobicContact CB-CE1 4.41Å; V537-F602 HydrophobicContact CB-CZ 4.24Å; V537-F602 HydrophobicContact CG1-CE1 3.82Å; V537-F602 HydrophobicContact CG1-CZ 3.99Å; V537-F602 HydrophobicContact CG2-CZ 4.08Å; V540-F602 HydrophobicContact CB-CE1 3.87Å; V540-F602 HydrophobicContact CB-CZ 4.26Å; V540-F602 HydrophobicContact CG1-CD1 4.19Å; V540-F602 HydrophobicContact CG1-CE1 3.79Å; V540-F602 HydrophobicContact CG1-CZ 4.28Å; N541-F602 VanDerWaalsContact OD1-CD1 3.26Å; N541-F602 WeakPolarHBondContact OD1-CD1 3.5Å; Y599-F602 CarbonylContact O-C 3.38Å; Y599-F602 PolarHBondContact O-N 3.19Å; F602-E604 PolarHBondContact O-N 3.47Å; F602-P605 WeakPolarHBondContact O-CD 3.27Å; F602-I606 HydrophobicContact CB-CD1 3.7Å; F602-I606 HydrophobicContact CB-CG1 4.26Å; F602-I606 VanDerWaalsContact O-CB 3.32Å; F602-I606 WeakPolarHBondContact O-CB 3.5Å; F602-I606 WeakPolarHBondContact O-CD1 3.23Å; F602-I606 WeakPolarHBondContact O-CG1 3.44Å; F602-I606 PolarHBondContact O-N 2.95Å |
| 603 | E | 77.9 | Confident | 75.5 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.2 | -55.7 | -172.9 | -168.4 | 170.9 | 173.4 | 0 | 0 | 110.5 | Y599 I606 V607 | Y599-E603 WeakPolarHBondContact O-CA 3.32Å; Y599-E603 VanDerWaalsContact O-CB 3.3Å; Y599-E603 WeakPolarHBondContact O-CB 3.17Å; Y599-E603 PolarHBondContact O-N 3.14Å; E603-I606 PolarHBondContact O-N 3.45Å; E603-V607 HydrophobicContact CG-CG2 4.43Å; E603-V607 VanDerWaalsContact O-CB 3.24Å; E603-V607 WeakPolarHBondContact O-CB 3.41Å; E603-V607 WeakPolarHBondContact O-CG2 3.47Å; E603-V607 PolarHBondContact O-N 3.09Å |
| 604 | E | 81.9 | Confident | 76.4 | Confident | 124 Ų | 124 | 41 Ų | 41 | 58% | 0.579 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.8 | -51.4 | 178.7 | 173.7 | -176.7 | -146.2 | 0 | 0 | 112.8 | F602 I606 V607 S608 | F602-E604 PolarHBondContact O-N 3.47Å; E604-I606 VanDerWaalsContact C-N 3.26Å; E604-I606 PolarHBondContact O-N 3.17Å; E604-V607 PolarHBondContact O-N 2.95Å; E604-S608 WeakPolarHBondContact O-CB 3.37Å; E604-S608 PolarHBondContact O-N 3.33Å; E604-S608 PolarHBondContact O-OG 3.48Å |
| 605 | P | 82.4 | Confident | 77.8 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.2 | -40.3 | 176.5 | -29.5 | 33.8 | 0 | 0 | 0 | 113.9 | N541 L544 F602 T609 | N541-P605 WeakPolarHBondContact OD1-CG 3.34Å; L544-P605 HydrophobicContact CD1-CB 3.91Å; F602-P605 WeakPolarHBondContact O-CD 3.27Å; P605-T609 WeakPolarHBondContact O-CB 3.41Å; P605-T609 PolarHBondContact O-N 2.87Å; P605-T609 PolarHBondContact O-OG1 3.37Å |
| 606 | I | 84.2 | Confident | 79.7 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.7 | -44.3 | 178.6 | -68 | 168.9 | 0 | 0 | 0 | 110.6 | F521 L544 F591 Y599 F602 E603 E604 S608 T609 M610 | F521-I606 HydrophobicContact CE1-CD1 4.26Å; F521-I606 HydrophobicContact CE2-CD1 3.64Å; F521-I606 HydrophobicContact CZ-CD1 3.3Å; L544-I606 HydrophobicContact CD1-CG1 4.02Å; F591-I606 HydrophobicContact CD2-CG2 3.69Å; F591-I606 HydrophobicContact CE2-CG2 4.3Å; Y599-I606 HydrophobicContact CD1-CD1 4.2Å; Y599-I606 HydrophobicContact CE1-CD1 4.29Å; F602-I606 HydrophobicContact CB-CD1 3.7Å; F602-I606 HydrophobicContact CB-CG1 4.26Å; F602-I606 VanDerWaalsContact O-CB 3.32Å; F602-I606 WeakPolarHBondContact O-CB 3.5Å; F602-I606 WeakPolarHBondContact O-CD1 3.23Å; F602-I606 WeakPolarHBondContact O-CG1 3.44Å; F602-I606 PolarHBondContact O-N 2.95Å; E603-I606 PolarHBondContact O-N 3.45Å; E604-I606 VanDerWaalsContact C-N 3.26Å; E604-I606 PolarHBondContact O-N 3.17Å; I606-S608 VanDerWaalsContact C-N 3.35Å; I606-S608 PolarHBondContact O-N 3.2Å; I606-T609 PolarHBondContact O-N 3.45Å; I606-T609 VanDerWaalsContact O-N 3.13Å; I606-M610 HydrophobicContact CG2-CG 4.31Å; I606-M610 HydrophobicContact CG2-SD 4.04Å; I606-M610 WeakPolarHBondContact O-CB 3.44Å; I606-M610 WeakPolarHBondContact O-CG 3.32Å; I606-M610 PolarHBondContact O-N 3.27Å |
| 607 | V | 85 | Confident | 81.5 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.3 | -49.2 | 175.4 | 161.2 | 0 | 0 | 0 | 0 | 110.6 | F591 E603 E604 T609 M610 A611 C662 L665 | F591-V607 HydrophobicContact CE2-CG2 3.84Å; F591-V607 HydrophobicContact CZ-CG2 3.86Å; E603-V607 HydrophobicContact CG-CG2 4.43Å; E603-V607 VanDerWaalsContact O-CB 3.24Å; E603-V607 WeakPolarHBondContact O-CB 3.41Å; E603-V607 WeakPolarHBondContact O-CG2 3.47Å; E603-V607 PolarHBondContact O-N 3.09Å; E604-V607 PolarHBondContact O-N 2.95Å; V607-T609 VanDerWaalsContact C-N 3.29Å; V607-T609 PolarHBondContact O-N 2.95Å; V607-M610 PolarHBondContact O-N 3.46Å; V607-A611 WeakPolarHBondContact O-CB 3.45Å; V607-A611 PolarHBondContact O-N 3.21Å; V607-C662 HydrophobicContact CG1-CB 4.19Å; V607-L665 HydrophobicContact CG1-CB 4.17Å |
| 608 | S | 86.4 | Confident | 83.3 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 16% | 0.161 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | 176.9 | -67 | 0 | 0 | 0 | 0 | 111.9 | E604 I606 T612 | E604-S608 WeakPolarHBondContact O-CB 3.37Å; E604-S608 PolarHBondContact O-N 3.33Å; E604-S608 PolarHBondContact O-OG 3.48Å; I606-S608 VanDerWaalsContact C-N 3.35Å; I606-S608 PolarHBondContact O-N 3.2Å; S608-T612 WeakPolarHBondContact O-CB 3.13Å; S608-T612 PolarHBondContact O-N 3.46Å; S608-T612 PolarHBondContact O-OG1 3.31Å |
| 609 | T | 89.4 | Confident | 85 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.4 | -42.7 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | L544 Y547 R548 L587 P605 I606 V607 T612 A613 | L544-T609 HydrophobicContact CD2-CG2 4.25Å; Y547-T609 HydrophobicContact CD1-CG2 3.82Å; Y547-T609 HydrophobicContact CE1-CG2 4.29Å; R548-T609 HydrophobicContact CG-CG2 4.14Å; R548-T609 WeakPolarHBondContact CG-OG1 3.4Å; R548-T609 PolarHBondContact NH1-OG1 3.47Å; L587-T609 HydrophobicContact CD1-CG2 4.38Å; L587-T609 HydrophobicContact CD2-CG2 4.39Å; P605-T609 WeakPolarHBondContact O-CB 3.41Å; P605-T609 PolarHBondContact O-N 2.87Å; P605-T609 PolarHBondContact O-OG1 3.37Å; I606-T609 PolarHBondContact O-N 3.45Å; I606-T609 VanDerWaalsContact O-N 3.13Å; V607-T609 VanDerWaalsContact C-N 3.29Å; V607-T609 PolarHBondContact O-N 2.95Å; T609-T612 PolarHBondContact O-N 2.83Å; T609-A613 WeakPolarHBondContact O-CB 3.28Å; T609-A613 PolarHBondContact O-N 3.4Å |
| 610 | M | 89.6 | Confident | 86.5 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.6 | -75.4 | -178.1 | 66.4 | 0 | 0 | 112.1 | L587 F591 F592 I606 V607 T612 A613 L614 V655 L665 | L587-M610 HydrophobicContact CB-CG 4Å; L587-M610 HydrophobicContact CD2-CG 4.45Å; F591-M610 HydrophobicContact CB-CE 3.97Å; F591-M610 HydrophobicContact CB-SD 3.44Å; F591-M610 WeakPolarHBondContact CB-SD 3.41Å; F591-M610 HydrophobicContact CD1-CE 4.2Å; F591-M610 HydrophobicContact CD1-SD 4.05Å; F591-M610 HydrophobicContact CD2-SD 3.82Å; F591-M610 HydrophobicContact CG-CE 4.15Å; F591-M610 HydrophobicContact CG-SD 3.5Å; F591-M610 WeakPolarHBondContact CG-SD 3.42Å; F592-M610 HydrophobicContact CE2-CE 3.9Å; I606-M610 HydrophobicContact CG2-CG 4.31Å; I606-M610 HydrophobicContact CG2-SD 4.04Å; I606-M610 WeakPolarHBondContact O-CB 3.44Å; I606-M610 WeakPolarHBondContact O-CG 3.32Å; I606-M610 PolarHBondContact O-N 3.27Å; V607-M610 PolarHBondContact O-N 3.46Å; M610-T612 VanDerWaalsContact C-N 3.32Å; M610-T612 PolarHBondContact O-N 2.84Å; M610-A613 PolarHBondContact O-N 3.41Å; M610-L614 WeakPolarHBondContact O-CG 3.26Å; M610-L614 PolarHBondContact O-N 3.33Å; M610-V655 HydrophobicContact CE-CG2 4.44Å; M610-L665 HydrophobicContact CB-CD1 3.77Å; M610-L665 HydrophobicContact CE-CD2 4.41Å |
| 611 | A | 90.1 | Very high | 87.6 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 7% | 0.066 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V607 A613 L614 L615 L665 A668 | V607-A611 WeakPolarHBondContact O-CB 3.45Å; V607-A611 PolarHBondContact O-N 3.21Å; A611-A613 PolarHBondContact O-N 3.4Å; A611-L614 PolarHBondContact O-N 3.17Å; A611-L615 WeakPolarHBondContact O-CD1 3.44Å; A611-L615 VanDerWaalsContact O-CG 3.24Å; A611-L615 WeakPolarHBondContact O-CG 3.36Å; A611-L615 PolarHBondContact O-N 3.26Å; A611-L665 HydrophobicContact CB-CD1 4.31Å; A611-A668 HydrophobicContact CB-CB 3.75Å |
| 612 | T | 91.6 | Very high | 88.3 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 177.5 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | W473 R548 I551 K552 S608 T609 M610 L615 C616 | W473-T612 HydrophobicContact CE3-CG2 4.49Å; W473-T612 HydrophobicContact CH2-CG2 4.23Å; W473-T612 HydrophobicContact CZ3-CG2 3.64Å; R548-T612 HydrophobicContact CB-CG2 4.39Å; I551-T612 HydrophobicContact CB-CG2 3.97Å; I551-T612 HydrophobicContact CG2-CG2 3.81Å; K552-T612 HydrophobicContact CG-CG2 4.08Å; S608-T612 WeakPolarHBondContact O-CB 3.13Å; S608-T612 PolarHBondContact O-N 3.46Å; S608-T612 PolarHBondContact O-OG1 3.31Å; T609-T612 PolarHBondContact O-N 2.83Å; M610-T612 VanDerWaalsContact C-N 3.32Å; M610-T612 PolarHBondContact O-N 2.84Å; T612-L615 PolarHBondContact O-N 3.44Å; T612-C616 PolarHBondContact O-N 3.38Å; T612-C616 VanDerWaalsContact O-N 3.07Å |
| 613 | A | 93.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H580 L587 T609 M610 A611 L615 C616 | H580-A613 PolarHBondContact NE2-O 3.24Å; L587-A613 HydrophobicContact CD1-CB 4.17Å; T609-A613 WeakPolarHBondContact O-CB 3.28Å; T609-A613 PolarHBondContact O-N 3.4Å; M610-A613 PolarHBondContact O-N 3.41Å; A611-A613 PolarHBondContact O-N 3.4Å; A613-L615 PolarHBondContact O-N 2.7Å; A613-C616 VanDerWaalsContact O-CB 3.26Å; A613-C616 WeakPolarHBondContact O-CB 3.24Å; A613-C616 PolarHBondContact O-N 2.98Å |
| 614 | L | 93.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.7 | -70.4 | 174.9 | 0 | 0 | 0 | 112 | M610 A611 C616 F617 A651 V652 V655 L665 A669 T672 | M610-L614 WeakPolarHBondContact O-CG 3.26Å; M610-L614 PolarHBondContact O-N 3.33Å; A611-L614 PolarHBondContact O-N 3.17Å; L614-C616 PolarHBondContact O-N 3.11Å; L614-F617 WeakPolarHBondContact O-CB 3.45Å; L614-F617 PolarHBondContact O-N 3.23Å; L614-A651 HydrophobicContact CD2-CB 3.92Å; L614-V652 HydrophobicContact CD2-CG2 4.11Å; L614-V655 HydrophobicContact CD1-CG2 4.14Å; L614-L665 HydrophobicContact CD1-CD1 4.04Å; L614-A669 HydrophobicContact CD1-CB 4.1Å; L614-T672 VanDerWaalsContact O-CG2 3.3Å; L614-T672 WeakPolarHBondContact O-CG2 3.21Å; L614-T672 PolarHBondContact O-OG1 2.69Å |
| 615 | L | 92.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 17 Ų | 17 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.5 | -22.1 | 179.5 | -67.1 | 163.9 | 0 | 0 | 0 | 112.8 | I471 W473 A611 T612 A613 F617 R618 S619 A668 L671 | I471-L615 HydrophobicContact CG2-CD1 3.27Å; I471-L615 HydrophobicContact CG2-CD2 3.89Å; I471-L615 HydrophobicContact CG2-CG 4.15Å; W473-L615 HydrophobicContact CH2-CB 4.18Å; W473-L615 HydrophobicContact CZ2-CB 3.83Å; A611-L615 WeakPolarHBondContact O-CD1 3.44Å; A611-L615 VanDerWaalsContact O-CG 3.24Å; A611-L615 WeakPolarHBondContact O-CG 3.36Å; A611-L615 PolarHBondContact O-N 3.26Å; T612-L615 PolarHBondContact O-N 3.44Å; A613-L615 PolarHBondContact O-N 2.7Å; L615-F617 VanDerWaalsContact C-N 3.32Å; L615-F617 PolarHBondContact O-N 3.15Å; L615-R618 WeakPolarHBondContact O-CA 3.14Å; L615-R618 WeakPolarHBondContact O-CB 3.19Å; L615-R618 PolarHBondContact O-N 3.39Å; L615-R618 VanDerWaalsContact O-N 3.09Å; L615-S619 PolarHBondContact O-N 3Å; L615-S619 PolarHBondContact O-OG 3.32Å; L615-A668 HydrophobicContact CD1-CB 4.34Å; L615-A668 HydrophobicContact CD2-CB 4.32Å; L615-A668 HydrophobicContact CG-CB 4.1Å; L615-L671 HydrophobicContact CD2-CB 4.24Å; L615-L671 HydrophobicContact CD2-CD1 4.23Å |
| 616 | C | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 172 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | I551 C555 H580 T612 A613 L614 R618 S619 Y620 | I551-C616 HydrophobicContact CG2-CB 3.77Å; C555-C616 VanDerWaalsContact SG-CA 3.55Å; H580-C616 WeakPolarHBondContact NE2-CB 3.33Å; T612-C616 PolarHBondContact O-N 3.38Å; T612-C616 VanDerWaalsContact O-N 3.07Å; A613-C616 VanDerWaalsContact O-CB 3.26Å; A613-C616 WeakPolarHBondContact O-CB 3.24Å; A613-C616 PolarHBondContact O-N 2.98Å; L614-C616 PolarHBondContact O-N 3.11Å; C616-R618 PolarHBondContact O-N 3.25Å; C616-S619 PolarHBondContact O-N 2.97Å; C616-S619 VanDerWaalsContact O-N 3.1Å; C616-Y620 WeakPolarHBondContact O-CD2 3.31Å; C616-Y620 PolarHBondContact O-N 2.79Å |
| 617 | F | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -34.4 | 174 | -67.2 | -72.9 | 0 | 0 | 0 | 112.7 | H580 T584 L614 L615 S621 A648 T672 | H580-F617 AromaticContact CD2-CE2 3.83Å; H580-F617 AromaticContact CD2-CZ 3.78Å; T584-F617 HydrophobicContact CG2-CE2 3.95Å; T584-F617 WeakPolarHBondContact OG1-CE2 3.48Å; L614-F617 WeakPolarHBondContact O-CB 3.45Å; L614-F617 PolarHBondContact O-N 3.23Å; L615-F617 VanDerWaalsContact C-N 3.32Å; L615-F617 PolarHBondContact O-N 3.15Å; F617-S621 PolarHBondContact O-N 3.24Å; F617-S621 VanDerWaalsContact O-N 3.1Å; F617-A648 HydrophobicContact CB-CB 4.33Å; F617-A648 HydrophobicContact CD1-CB 3.72Å; F617-A648 HydrophobicContact CD2-CB 3.98Å; F617-A648 HydrophobicContact CE1-CB 3.93Å; F617-A648 HydrophobicContact CE2-CB 4.19Å; F617-A648 HydrophobicContact CG-CB 3.73Å; F617-A648 HydrophobicContact CZ-CB 4.16Å; F617-T672 HydrophobicContact CB-CG2 3.8Å |
| 618 | R | 91.7 | Very high | 90 | Very high | 98 Ų | 98 | 19.3 Ų | 19.3 | 37% | 0.37 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 173.2 | 156.9 | 169.3 | 178.4 | 136 | -7.8 | 111.2 | L615 C616 Y620 S621 L671 S675 | L615-R618 WeakPolarHBondContact O-CA 3.14Å; L615-R618 WeakPolarHBondContact O-CB 3.19Å; L615-R618 PolarHBondContact O-N 3.39Å; L615-R618 VanDerWaalsContact O-N 3.09Å; C616-R618 PolarHBondContact O-N 3.25Å; R618-Y620 VanDerWaalsContact C-N 3.26Å; R618-Y620 PolarHBondContact O-N 2.9Å; R618-S621 WeakPolarHBondContact O-CB 3.22Å; R618-S621 PolarHBondContact O-N 3.02Å; R618-S621 VanDerWaalsContact O-N 3.16Å; R618-S621 PolarHBondContact O-OG 2.97Å; R618-L671 VanDerWaalsContact NH1-CD2 3.26Å; R618-S675 WeakPolarHBondContact CG-OG 3.23Å |
| 619 | S | 89.3 | Confident | 89.9 | Confident | 22 Ų | 22 | 19.2 Ų | 19.2 | 15% | 0.154 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.5 | -60 | 0 | 0 | 0 | 0 | 112.6 | W473 T558 L615 C616 | W473-S619 WeakPolarHBondContact CZ2-OG 3.32Å; T558-S619 PolarHBondContact OG1-O 3.42Å; L615-S619 PolarHBondContact O-N 3Å; L615-S619 PolarHBondContact O-OG 3.32Å; C616-S619 PolarHBondContact O-N 2.97Å; C616-S619 VanDerWaalsContact O-N 3.1Å |
| 620 | Y | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.9 | 177.9 | -80 | -94.8 | 0 | 0 | 0 | 114.1 | A554 T558 C573 F576 L577 C616 R618 P622 W623 L624 | A554-Y620 PolarHBondContact O-OH 3.07Å; T558-Y620 HydrophobicContact CG2-CD1 3.9Å; T558-Y620 HydrophobicContact CG2-CD2 3.59Å; T558-Y620 HydrophobicContact CG2-CE1 3.77Å; T558-Y620 HydrophobicContact CG2-CE2 3.44Å; T558-Y620 VanDerWaalsContact CG2-CE2 3.44Å; T558-Y620 HydrophobicContact CG2-CG 3.82Å; C573-Y620 HydrophobicContact CB-CE1 4.47Å; F576-Y620 HydrophobicContact CD1-CE1 4.33Å; F576-Y620 HydrophobicContact CD1-CE2 4.22Å; F576-Y620 AromaticContact CD1-CZ 3.87Å; F576-Y620 HydrophobicContact CE1-CD2 4.29Å; F576-Y620 HydrophobicContact CE1-CE1 4.49Å; F576-Y620 AromaticContact CE1-CE2 3.57Å; F576-Y620 HydrophobicContact CE1-CE2 3.57Å; F576-Y620 AromaticContact CE1-CZ 3.68Å; F576-Y620 HydrophobicContact CZ-CE2 4.5Å; L577-Y620 HydrophobicContact CD1-CD1 4Å; L577-Y620 HydrophobicContact CD1-CG 4.2Å; L577-Y620 HydrophobicContact CD2-CD2 4.35Å; L577-Y620 HydrophobicContact CD2-CG 4.12Å; L577-Y620 HydrophobicContact CG-CD1 4.41Å; L577-Y620 HydrophobicContact CG-CG 4.47Å; C616-Y620 WeakPolarHBondContact O-CD2 3.31Å; C616-Y620 PolarHBondContact O-N 2.79Å; R618-Y620 VanDerWaalsContact C-N 3.26Å; R618-Y620 PolarHBondContact O-N 2.9Å; Y620-P622 VanDerWaalsContact C-CD 3.45Å; Y620-W623 PolarHBondContact O-N 3.14Å; Y620-L624 WeakPolarHBondContact O-CB 3.45Å; Y620-L624 PolarHBondContact O-N 3.03Å |
| 621 | S | 90.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 24 Ų | 24 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -35.8 | -177.9 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | F617 R618 S625 | F617-S621 PolarHBondContact O-N 3.24Å; F617-S621 VanDerWaalsContact O-N 3.1Å; R618-S621 WeakPolarHBondContact O-CB 3.22Å; R618-S621 PolarHBondContact O-N 3.02Å; R618-S621 VanDerWaalsContact O-N 3.16Å; R618-S621 PolarHBondContact O-OG 2.97Å; S621-S625 WeakPolarHBondContact O-CB 3.41Å; S621-S625 PolarHBondContact O-N 3.31Å |
| 622 | P | 87.8 | Confident | 89.1 | Confident | 62 Ų | 62 | 25.5 Ų | 25.5 | 40% | 0.403 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 175.1 | -21.2 | 34.8 | 0 | 0 | 0 | 112.1 | Y620 S625 S626 | Y620-P622 VanDerWaalsContact C-CD 3.45Å; P622-S625 WeakPolarHBondContact O-CB 3.19Å; P622-S625 PolarHBondContact O-N 3.32Å; P622-S626 PolarHBondContact O-N 3.2Å |
| 623 | W | 87.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 31.5 Ų | 31.5 | 16% | 0.163 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 175.7 | 176.9 | 87.1 | 0 | 0 | 0 | 111.4 | F570 C573 L577 Y620 S625 S626 C627 | F570-W623 HydrophobicContact CD2-CH2 4.38Å; F570-W623 AromaticContact CD2-CZ2 3.7Å; F570-W623 HydrophobicContact CD2-CZ2 3.7Å; F570-W623 HydrophobicContact CE2-CH2 4.28Å; F570-W623 HydrophobicContact CE2-CZ2 4.03Å; F570-W623 HydrophobicContact CG-CZ2 4.39Å; C573-W623 HydrophobicContact CB-CD2 4.05Å; C573-W623 VanDerWaalsContact CB-CE2 3.49Å; C573-W623 HydrophobicContact CB-CE3 4.43Å; C573-W623 HydrophobicContact CB-CH2 3.91Å; C573-W623 HydrophobicContact CB-CZ2 3.42Å; C573-W623 VanDerWaalsContact CB-CZ2 3.42Å; C573-W623 HydrophobicContact CB-CZ3 4.39Å; L577-W623 HydrophobicContact CD1-CE3 3.67Å; L577-W623 HydrophobicContact CD1-CH2 4.26Å; L577-W623 HydrophobicContact CD1-CZ3 3.33Å; Y620-W623 PolarHBondContact O-N 3.14Å; W623-S625 PolarHBondContact O-N 3.03Å; W623-S626 PolarHBondContact O-N 2.83Å; W623-C627 WeakPolarHBondContact CZ2-SG 3.32Å; W623-C627 PolarHBondContact O-N 3.06Å; W623-C627 PolarHBondContact O-SG 2.7Å |
| 624 | L | 89 | Confident | 88.3 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -33.8 | 177.3 | -81.9 | 171.5 | 0 | 0 | 0 | 112.3 | L577 Y620 Y628 L644 I680 | L577-L624 HydrophobicContact CD1-CD1 4.41Å; L577-L624 HydrophobicContact CD1-CD2 4.11Å; L577-L624 HydrophobicContact CD1-CG 4.15Å; Y620-L624 WeakPolarHBondContact O-CB 3.45Å; Y620-L624 PolarHBondContact O-N 3.03Å; L624-Y628 WeakPolarHBondContact O-CB 3.4Å; L624-Y628 PolarHBondContact O-N 3.49Å; L624-L644 HydrophobicContact CD2-CB 4.45Å; L624-L644 HydrophobicContact CD2-CD1 4.01Å; L624-I680 HydrophobicContact CB-CD1 3.65Å; L624-I680 HydrophobicContact CB-CG1 4.15Å; L624-I680 HydrophobicContact CD1-CD1 4.03Å; L624-I680 HydrophobicContact CG-CD1 4.47Å |
| 625 | S | 88.8 | Confident | 87.7 | Confident | 20 Ų | 20 | 37 Ų | 37 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -49.5 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | S621 P622 W623 Y628 A629 T679 | S621-S625 WeakPolarHBondContact O-CB 3.41Å; S621-S625 PolarHBondContact O-N 3.31Å; P622-S625 WeakPolarHBondContact O-CB 3.19Å; P622-S625 PolarHBondContact O-N 3.32Å; W623-S625 PolarHBondContact O-N 3.03Å; S625-Y628 PolarHBondContact O-N 3.4Å; S625-A629 WeakPolarHBondContact O-CB 3.43Å; S625-A629 PolarHBondContact O-N 3Å; S625-T679 PolarHBondContact OG-O 2.96Å |
| 626 | S | 86 | Confident | 87.1 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 111 | P622 W623 Y628 A629 D630 | P622-S626 PolarHBondContact O-N 3.2Å; W623-S626 PolarHBondContact O-N 2.83Å; S626-Y628 PolarHBondContact O-N 3.22Å; S626-A629 PolarHBondContact O-N 3.47Å; S626-D630 PolarHBondContact O-N 3.41Å |
| 627 | C | 84.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 178.3 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | F570 W623 A631 | F570-C627 HydrophobicContact CD2-CB 4.45Å; F570-C627 VanDerWaalsContact CD2-SG 3.51Å; F570-C627 HydrophobicContact CE2-CB 3.82Å; F570-C627 WeakPolarHBondContact CE2-SG 3.43Å; W623-C627 WeakPolarHBondContact CZ2-SG 3.32Å; W623-C627 PolarHBondContact O-N 3.06Å; W623-C627 PolarHBondContact O-SG 2.7Å; C627-A631 WeakPolarHBondContact O-CB 3.47Å; C627-A631 PolarHBondContact O-N 2.84Å |
| 628 | Y | 87.7 | Confident | 86.2 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 177.2 | -173.1 | -89.1 | 0 | 0 | 0 | 110.9 | L624 S625 S626 D630 A631 Q632 V641 V645 I680 P682 S684 F685 | L624-Y628 WeakPolarHBondContact O-CB 3.4Å; L624-Y628 PolarHBondContact O-N 3.49Å; S625-Y628 PolarHBondContact O-N 3.4Å; S626-Y628 PolarHBondContact O-N 3.22Å; Y628-D630 PolarHBondContact O-N 3.09Å; Y628-A631 PolarHBondContact O-N 3.46Å; Y628-Q632 HydrophobicContact CD1-CG 3.94Å; Y628-Q632 HydrophobicContact CE1-CG 3.55Å; Y628-Q632 WeakPolarHBondContact O-CG 3.29Å; Y628-Q632 PolarHBondContact O-N 3.1Å; Y628-Q632 PolarHBondContact OH-NE2 2.82Å; Y628-Q632 VanDerWaalsContact OH-NE2 3.1Å; Y628-V641 HydrophobicContact CD2-CG1 3.97Å; Y628-V645 HydrophobicContact CD2-CG2 4.32Å; Y628-I680 HydrophobicContact CD1-CG2 4.28Å; Y628-I680 HydrophobicContact CD2-CG2 4.44Å; Y628-I680 HydrophobicContact CG-CG2 3.95Å; Y628-P682 HydrophobicContact CE1-CB 4.11Å; Y628-P682 HydrophobicContact CE2-CB 4.03Å; Y628-S684 PolarHBondContact OH-OG 3.29Å; Y628-F685 HydrophobicContact CE2-CE1 4.49Å |
| 629 | A | 85 | Confident | 86.1 | Confident | 20 Ų | 20 | 50 Ų | 50 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S625 S626 Q632 Q633 N729 | S625-A629 WeakPolarHBondContact O-CB 3.43Å; S625-A629 PolarHBondContact O-N 3Å; S626-A629 PolarHBondContact O-N 3.47Å; A629-Q632 PolarHBondContact O-N 3.46Å; A629-Q633 WeakPolarHBondContact O-CG 3.38Å; A629-Q633 PolarHBondContact O-N 3.06Å; A629-Q633 VanDerWaalsContact O-N 3.1Å; A629-N729 WeakPolarHBondContact CA-ND2 3.4Å; A629-N729 PolarHBondContact O-ND2 3.45Å; A629-N729 VanDerWaalsContact O-ND2 3.15Å |
| 630 | D | 84.1 | Confident | 86.1 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 178.2 | -70.7 | -11.6 | 0 | 0 | 0 | 112.2 | S626 Y628 Q632 Q633 S634 | S626-D630 PolarHBondContact O-N 3.41Å; Y628-D630 PolarHBondContact O-N 3.09Å; D630-Q632 VanDerWaalsContact C-N 3.35Å; D630-Q632 PolarHBondContact O-N 2.83Å; D630-Q633 PolarHBondContact O-N 2.94Å; D630-S634 VanDerWaalsContact O-CB 3.32Å; D630-S634 WeakPolarHBondContact O-CB 3.45Å; D630-S634 PolarHBondContact O-N 2.97Å; D630-S634 PolarHBondContact O-OG 2.96Å |
| 631 | A | 85.8 | Confident | 86 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C627 Y628 G635 N636 V641 | C627-A631 WeakPolarHBondContact O-CB 3.47Å; C627-A631 PolarHBondContact O-N 2.84Å; Y628-A631 PolarHBondContact O-N 3.46Å; A631-G635 VanDerWaalsContact O-CA 3.29Å; A631-G635 WeakPolarHBondContact O-CA 3.41Å; A631-G635 PolarHBondContact O-N 3.32Å; A631-N636 WeakPolarHBondContact CA-O 3.37Å; A631-N636 WeakPolarHBondContact CB-O 3.45Å; A631-V641 HydrophobicContact CB-CB 4.5Å; A631-V641 HydrophobicContact CB-CG2 4.15Å |
| 632 | Q | 83.1 | Confident | 86 | Confident | 40 Ų | 40 | 53 Ų | 53 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 173.7 | -69.7 | -54.1 | -32.2 | 0 | 0 | 111.9 | Y628 A629 D630 N638 | Y628-Q632 HydrophobicContact CD1-CG 3.94Å; Y628-Q632 HydrophobicContact CE1-CG 3.55Å; Y628-Q632 WeakPolarHBondContact O-CG 3.29Å; Y628-Q632 PolarHBondContact O-N 3.1Å; Y628-Q632 PolarHBondContact OH-NE2 2.82Å; Y628-Q632 VanDerWaalsContact OH-NE2 3.1Å; A629-Q632 PolarHBondContact O-N 3.46Å; D630-Q632 VanDerWaalsContact C-N 3.35Å; D630-Q632 PolarHBondContact O-N 2.83Å; Q632-N638 PolarHBondContact NE2-ND2 3.45Å; Q632-N638 PolarHBondContact NE2-OD1 3.48Å; Q632-N638 PolarHBondContact OE1-ND2 3.4Å |
| 633 | Q | 83.4 | Confident | 86.2 | Confident | 137 Ų | 137 | 55.1 Ų | 55.1 | 64% | 0.64 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -70.1 | -41.4 | -178.6 | -71.6 | -177.7 | 8 | 0 | 0 | 112.5 | A629 D630 N729 | A629-Q633 WeakPolarHBondContact O-CG 3.38Å; A629-Q633 PolarHBondContact O-N 3.06Å; A629-Q633 VanDerWaalsContact O-N 3.1Å; D630-Q633 PolarHBondContact O-N 2.94Å; Q633-N729 PolarHBondContact NE2-OD1 3.45Å |
| 634 | S | 84 | Confident | 86.4 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -86.4 | -20.3 | -176.8 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | D630 N636 | D630-S634 VanDerWaalsContact O-CB 3.32Å; D630-S634 WeakPolarHBondContact O-CB 3.45Å; D630-S634 PolarHBondContact O-N 2.97Å; D630-S634 PolarHBondContact O-OG 2.96Å; S634-N636 PolarHBondContact O-N 3.08Å; S634-N636 PolarHBondContact OG-N 3.3Å |
| 635 | G | 80.5 | Confident | 86.7 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | trans | 73.2 | -11.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A631 | A631-G635 VanDerWaalsContact O-CA 3.29Å; A631-G635 WeakPolarHBondContact O-CA 3.41Å; A631-G635 PolarHBondContact O-N 3.32Å | ||
| 636 | N | 81.6 | Confident | 87 | Confident | 120 Ų | 120 | 53.4 Ų | 53.4 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 137.7 | 179.3 | -78.6 | -25.5 | 0 | 0 | 0 | 111 | A631 S634 N638 | A631-N636 WeakPolarHBondContact CA-O 3.37Å; A631-N636 WeakPolarHBondContact CB-O 3.45Å; S634-N636 PolarHBondContact O-N 3.08Å; S634-N636 PolarHBondContact OG-N 3.3Å; N636-N638 PolarHBondContact O-N 3.11Å |
| 637 | R | 81.8 | Confident | 87.3 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 16.1 | 178.8 | -59.1 | -170.6 | -176.1 | -159.6 | 12.2 | 115.5 | E571 V639 E640 V641 | E571-R637 VanDerWaalsContact CD-NH1 3.3Å; E571-R637 IonicContact OE1-CZ 2.78Å; E571-R637 IonicContact OE1-NH1 3.77Å; E571-R637 PolarHBondContact OE1-NH1 3.4Å; E571-R637 IonicContact OE1-NH2 3.65Å; E571-R637 PolarHBondContact OE1-NH2 3.19Å; E571-R637 IonicContact OE2-CZ 2.92Å; E571-R637 IonicContact OE2-NH1 3.91Å; E571-R637 PolarHBondContact OE2-NH1 3.5Å; E571-R637 IonicContact OE2-NH2 2.66Å; R637-V639 PolarHBondContact O-N 3.48Å; R637-E640 HydrophobicContact CB-CB 4.27Å; R637-E640 VanDerWaalsContact CD-OE2 3.27Å; R637-E640 WeakPolarHBondContact CD-OE2 3.47Å; R637-E640 WeakPolarHBondContact CG-OE2 3.48Å; R637-E640 IonicContact NE-OE2 2.63Å; R637-E640 WeakPolarHBondContact O-CB 3.47Å; R637-E640 PolarHBondContact O-N 2.88Å; R637-V641 PolarHBondContact O-N 3.4Å |
| 638 | N | 86.4 | Confident | 87.8 | Confident | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.219 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.7 | -40.5 | 179.5 | -168 | -8.4 | 0 | 0 | 0 | 111.8 | Q632 N636 S642 | Q632-N638 PolarHBondContact NE2-ND2 3.45Å; Q632-N638 PolarHBondContact NE2-OD1 3.48Å; Q632-N638 PolarHBondContact OE1-ND2 3.4Å; N636-N638 PolarHBondContact O-N 3.11Å; N638-S642 WeakPolarHBondContact O-CB 3.24Å; N638-S642 PolarHBondContact O-N 2.88Å; N638-S642 PolarHBondContact O-OG 3.28Å; N638-S642 PolarHBondContact OD1-OG 3.47Å |
| 639 | V | 88.6 | Confident | 88.2 | Confident | 126 Ų | 126 | 49.7 Ų | 49.7 | 76% | 0.764 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 176 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | R637 L643 | R637-V639 PolarHBondContact O-N 3.48Å; V639-L643 WeakPolarHBondContact O-CB 3.41Å; V639-L643 PolarHBondContact O-N 3.36Å |
| 640 | E | 89.2 | Confident | 88.6 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -50.5 | -177.7 | -71.3 | 171.9 | -158.4 | 0 | 0 | 111.7 | Y574 R637 S642 L643 L644 | Y574-E640 HydrophobicContact CE2-CB 3.89Å; Y574-E640 VanDerWaalsContact OH-CB 3.31Å; Y574-E640 WeakPolarHBondContact OH-CB 3.45Å; Y574-E640 VanDerWaalsContact OH-CG 3.31Å; Y574-E640 WeakPolarHBondContact OH-CG 3.31Å; Y574-E640 PolarHBondContact OH-OE2 3.02Å; R637-E640 HydrophobicContact CB-CB 4.27Å; R637-E640 VanDerWaalsContact CD-OE2 3.27Å; R637-E640 WeakPolarHBondContact CD-OE2 3.47Å; R637-E640 WeakPolarHBondContact CG-OE2 3.48Å; R637-E640 IonicContact NE-OE2 2.63Å; R637-E640 WeakPolarHBondContact O-CB 3.47Å; R637-E640 PolarHBondContact O-N 2.88Å; E640-S642 VanDerWaalsContact C-N 3.33Å; E640-S642 PolarHBondContact O-N 2.84Å; E640-L643 WeakPolarHBondContact O-CB 3.42Å; E640-L643 PolarHBondContact O-N 3.5Å; E640-L643 VanDerWaalsContact O-N 3.13Å; E640-L644 PolarHBondContact O-N 3.12Å |
| 641 | V | 89.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | Y628 A631 R637 L643 L644 V645 | Y628-V641 HydrophobicContact CD2-CG1 3.97Å; A631-V641 HydrophobicContact CB-CB 4.5Å; A631-V641 HydrophobicContact CB-CG2 4.15Å; R637-V641 PolarHBondContact O-N 3.4Å; V641-L643 VanDerWaalsContact C-N 3.25Å; V641-L643 PolarHBondContact O-N 3.34Å; V641-L644 PolarHBondContact O-N 2.91Å; V641-V645 WeakPolarHBondContact O-CG2 3.48Å; V641-V645 PolarHBondContact O-N 3Å; V641-V645 VanDerWaalsContact O-N 3.17Å |
| 642 | S | 90.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -30.9 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | N638 E640 S646 | N638-S642 WeakPolarHBondContact O-CB 3.24Å; N638-S642 PolarHBondContact O-N 2.88Å; N638-S642 PolarHBondContact O-OG 3.28Å; N638-S642 PolarHBondContact OD1-OG 3.47Å; E640-S642 VanDerWaalsContact C-N 3.33Å; E640-S642 PolarHBondContact O-N 2.84Å; S642-S646 VanDerWaalsContact O-CB 3.26Å; S642-S646 WeakPolarHBondContact O-CB 3.29Å; S642-S646 PolarHBondContact O-N 3.14Å; S642-S646 PolarHBondContact O-OG 3.49Å |
| 643 | L | 92 | Very high | 90 | Very high | 106 Ų | 106 | 46 Ų | 46 | 56% | 0.555 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.2 | -42.1 | 174.6 | -174.7 | 63 | 0 | 0 | 0 | 111.8 | V639 E640 V641 S646 T647 | V639-L643 WeakPolarHBondContact O-CB 3.41Å; V639-L643 PolarHBondContact O-N 3.36Å; E640-L643 WeakPolarHBondContact O-CB 3.42Å; E640-L643 PolarHBondContact O-N 3.5Å; E640-L643 VanDerWaalsContact O-N 3.13Å; V641-L643 VanDerWaalsContact C-N 3.25Å; V641-L643 PolarHBondContact O-N 3.34Å; L643-S646 WeakPolarHBondContact CA-OG 3.39Å; L643-S646 PolarHBondContact O-OG 2.99Å; L643-S646 VanDerWaalsContact O-OG 3.07Å; L643-T647 VanDerWaalsContact O-CB 3.26Å; L643-T647 WeakPolarHBondContact O-CB 3.29Å; L643-T647 PolarHBondContact O-N 3.01Å; L643-T647 PolarHBondContact O-OG1 2.93Å |
| 644 | L | 93.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 175.8 | -60.9 | 177.7 | 0 | 0 | 0 | 110.8 | Y574 L577 C581 L624 E640 V641 T647 A648 | Y574-L644 HydrophobicContact CD2-CD1 3.9Å; Y574-L644 HydrophobicContact CE2-CD1 3.99Å; Y574-L644 HydrophobicContact CE2-CG 4.49Å; L577-L644 HydrophobicContact CB-CD1 4.24Å; L577-L644 HydrophobicContact CB-CD2 4.31Å; C581-L644 HydrophobicContact CB-CD2 4.44Å; C581-L644 WeakPolarHBondContact SG-CD2 3.35Å; L624-L644 HydrophobicContact CD2-CB 4.45Å; L624-L644 HydrophobicContact CD2-CD1 4.01Å; E640-L644 PolarHBondContact O-N 3.12Å; V641-L644 PolarHBondContact O-N 2.91Å; L644-T647 PolarHBondContact O-N 3.41Å; L644-A648 PolarHBondContact O-N 3.44Å; L644-A648 VanDerWaalsContact O-N 3.11Å |
| 645 | V | 94.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | -179.6 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | Y628 V641 T647 A648 L649 I676 I680 P682 F685 | Y628-V645 HydrophobicContact CD2-CG2 4.32Å; V641-V645 WeakPolarHBondContact O-CG2 3.48Å; V641-V645 PolarHBondContact O-N 3Å; V641-V645 VanDerWaalsContact O-N 3.17Å; V645-T647 VanDerWaalsContact C-N 3.34Å; V645-T647 PolarHBondContact O-N 3.29Å; V645-A648 PolarHBondContact O-N 3.45Å; V645-L649 HydrophobicContact CG1-CD1 4.07Å; V645-L649 WeakPolarHBondContact O-CG 3.33Å; V645-L649 PolarHBondContact O-N 3.07Å; V645-I676 HydrophobicContact CG1-CG2 3.84Å; V645-I680 HydrophobicContact CG2-CD1 4.33Å; V645-I680 HydrophobicContact CG2-CG2 4.34Å; V645-P682 HydrophobicContact CG1-CB 4.09Å; V645-P682 HydrophobicContact CG1-CG 3.85Å; V645-F685 HydrophobicContact CB-CZ 4.13Å; V645-F685 HydrophobicContact CG1-CZ 3.86Å |
| 646 | S | 94.2 | Very high | 91.1 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -35.8 | 179.5 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | S642 L643 L649 N650 | S642-S646 VanDerWaalsContact O-CB 3.26Å; S642-S646 WeakPolarHBondContact O-CB 3.29Å; S642-S646 PolarHBondContact O-N 3.14Å; S642-S646 PolarHBondContact O-OG 3.49Å; L643-S646 WeakPolarHBondContact CA-OG 3.39Å; L643-S646 PolarHBondContact O-OG 2.99Å; L643-S646 VanDerWaalsContact O-OG 3.07Å; S646-L649 PolarHBondContact O-N 3.31Å; S646-N650 WeakPolarHBondContact O-CB 3.35Å; S646-N650 PolarHBondContact O-N 2.95Å; S646-N650 PolarHBondContact O-ND2 3.35Å; S646-N650 VanDerWaalsContact O-ND2 3.11Å |
| 647 | T | 93.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | C581 L585 L643 L644 V645 L649 N650 A651 | C581-T647 HydrophobicContact CB-CG2 3.91Å; L585-T647 HydrophobicContact CD1-CG2 3.84Å; L585-T647 HydrophobicContact CD2-CG2 3.88Å; L585-T647 HydrophobicContact CG-CG2 3.63Å; L643-T647 VanDerWaalsContact O-CB 3.26Å; L643-T647 WeakPolarHBondContact O-CB 3.29Å; L643-T647 PolarHBondContact O-N 3.01Å; L643-T647 PolarHBondContact O-OG1 2.93Å; L644-T647 PolarHBondContact O-N 3.41Å; V645-T647 VanDerWaalsContact C-N 3.34Å; V645-T647 PolarHBondContact O-N 3.29Å; T647-L649 PolarHBondContact O-N 3.12Å; T647-N650 PolarHBondContact O-N 3.17Å; T647-A651 PolarHBondContact O-N 3.18Å |
| 648 | A | 94.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | F617 L644 V645 N650 A651 V652 I676 | F617-A648 HydrophobicContact CB-CB 4.33Å; F617-A648 HydrophobicContact CD1-CB 3.72Å; F617-A648 HydrophobicContact CD2-CB 3.98Å; F617-A648 HydrophobicContact CE1-CB 3.93Å; F617-A648 HydrophobicContact CE2-CB 4.19Å; F617-A648 HydrophobicContact CG-CB 3.73Å; F617-A648 HydrophobicContact CZ-CB 4.16Å; L644-A648 PolarHBondContact O-N 3.44Å; L644-A648 VanDerWaalsContact O-N 3.11Å; V645-A648 PolarHBondContact O-N 3.45Å; A648-N650 PolarHBondContact O-N 2.81Å; A648-A651 PolarHBondContact O-N 2.9Å; A648-V652 VanDerWaalsContact O-CG2 3.31Å; A648-V652 WeakPolarHBondContact O-CG2 3.37Å; A648-V652 PolarHBondContact O-N 2.98Å; A648-I676 HydrophobicContact CB-CD1 3.54Å |
| 649 | L | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 176 | -71.2 | 175 | 0 | 0 | 0 | 112.8 | V645 S646 T647 V652 T653 L673 I676 L677 V686 M689 I692 | V645-L649 HydrophobicContact CG1-CD1 4.07Å; V645-L649 WeakPolarHBondContact O-CG 3.33Å; V645-L649 PolarHBondContact O-N 3.07Å; S646-L649 PolarHBondContact O-N 3.31Å; T647-L649 PolarHBondContact O-N 3.12Å; L649-V652 PolarHBondContact O-N 3.49Å; L649-T653 WeakPolarHBondContact O-CB 3.33Å; L649-T653 VanDerWaalsContact O-CG2 3.26Å; L649-T653 WeakPolarHBondContact O-CG2 3.45Å; L649-T653 PolarHBondContact O-N 3.35Å; L649-T653 PolarHBondContact O-OG1 2.86Å; L649-L673 HydrophobicContact CD2-CD1 3.81Å; L649-I676 HydrophobicContact CD1-CG2 4.13Å; L649-I676 HydrophobicContact CD2-CB 4.14Å; L649-I676 HydrophobicContact CD2-CD1 4.09Å; L649-I676 HydrophobicContact CD2-CG2 3.71Å; L649-I676 HydrophobicContact CG-CD1 4.32Å; L649-I676 HydrophobicContact CG-CG2 3.91Å; L649-L677 HydrophobicContact CD2-CD2 4.41Å; L649-V686 HydrophobicContact CD1-CG1 4.13Å; L649-V686 HydrophobicContact CD1-CG2 3.77Å; L649-M689 HydrophobicContact CB-CE 3.88Å; L649-M689 HydrophobicContact CB-SD 4.18Å; L649-M689 HydrophobicContact CD1-SD 3.86Å; L649-I692 HydrophobicContact CD2-CD1 4.19Å |
| 650 | N | 94.1 | Very high | 88.3 | Confident | 77 Ų | 77 | 37.6 Ų | 37.6 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65 | -41.2 | 174.9 | -77 | -32.9 | 0 | 0 | 0 | 111.7 | S646 T647 A648 T653 A654 M689 | S646-N650 WeakPolarHBondContact O-CB 3.35Å; S646-N650 PolarHBondContact O-N 2.95Å; S646-N650 PolarHBondContact O-ND2 3.35Å; S646-N650 VanDerWaalsContact O-ND2 3.11Å; T647-N650 PolarHBondContact O-N 3.17Å; A648-N650 PolarHBondContact O-N 2.81Å; N650-T653 WeakPolarHBondContact CA-OG1 3.42Å; N650-T653 PolarHBondContact O-OG1 3.49Å; N650-A654 WeakPolarHBondContact O-CB 3.22Å; N650-A654 PolarHBondContact O-N 3.03Å; N650-M689 WeakPolarHBondContact OD1-CE 3.46Å |
| 651 | A | 93.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T584 L614 T647 A648 T653 A654 V655 | T584-A651 HydrophobicContact CG2-CB 3.78Å; L614-A651 HydrophobicContact CD2-CB 3.92Å; T647-A651 PolarHBondContact O-N 3.18Å; A648-A651 PolarHBondContact O-N 2.9Å; A651-T653 PolarHBondContact O-N 3.45Å; A651-A654 WeakPolarHBondContact O-CB 3.44Å; A651-A654 PolarHBondContact O-N 3.27Å; A651-V655 WeakPolarHBondContact O-CG2 3.36Å; A651-V655 PolarHBondContact O-N 3.15Å; A651-V655 VanDerWaalsContact O-N 3.1Å |
| 652 | V | 94.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 176.1 | 165.2 | 0 | 0 | 0 | 0 | 111.8 | L614 A648 L649 A654 V655 L656 A669 T672 L673 | L614-V652 HydrophobicContact CD2-CG2 4.11Å; A648-V652 VanDerWaalsContact O-CG2 3.31Å; A648-V652 WeakPolarHBondContact O-CG2 3.37Å; A648-V652 PolarHBondContact O-N 2.98Å; L649-V652 PolarHBondContact O-N 3.49Å; V652-A654 VanDerWaalsContact C-N 3.32Å; V652-A654 PolarHBondContact O-N 3.39Å; V652-V655 PolarHBondContact O-N 2.86Å; V652-L656 HydrophobicContact CG1-CD1 3.94Å; V652-L656 WeakPolarHBondContact O-CG 3.45Å; V652-L656 PolarHBondContact O-N 3.5Å; V652-A669 HydrophobicContact CG1-CB 4.3Å; V652-A669 WeakPolarHBondContact CG1-O 3.24Å; V652-T672 HydrophobicContact CG2-CG2 3.86Å; V652-L673 HydrophobicContact CG1-CB 3.8Å; V652-L673 HydrophobicContact CG1-CD1 3.91Å; V652-L673 HydrophobicContact CG1-CG 4.3Å |
| 653 | T | 93.4 | Very high | 85.1 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -26.5 | -178.9 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | L649 N650 A651 R657 I692 L695 | L649-T653 WeakPolarHBondContact O-CB 3.33Å; L649-T653 VanDerWaalsContact O-CG2 3.26Å; L649-T653 WeakPolarHBondContact O-CG2 3.45Å; L649-T653 PolarHBondContact O-N 3.35Å; L649-T653 PolarHBondContact O-OG1 2.86Å; N650-T653 WeakPolarHBondContact CA-OG1 3.42Å; N650-T653 PolarHBondContact O-OG1 3.49Å; A651-T653 PolarHBondContact O-N 3.45Å; T653-R657 WeakPolarHBondContact O-CB 3.22Å; T653-R657 PolarHBondContact O-N 3.49Å; T653-I692 HydrophobicContact CG2-CD1 3.73Å; T653-I692 HydrophobicContact CG2-CG1 4.35Å; T653-L695 HydrophobicContact CG2-CD2 4.47Å |
| 654 | A | 90.9 | Very high | 84.6 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 21% | 0.207 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T588 F592 N650 A651 V652 R657 | T588-A654 HydrophobicContact CG2-CB 3.84Å; F592-A654 HydrophobicContact CD2-CB 4.31Å; F592-A654 HydrophobicContact CE2-CB 4.33Å; N650-A654 WeakPolarHBondContact O-CB 3.22Å; N650-A654 PolarHBondContact O-N 3.03Å; A651-A654 WeakPolarHBondContact O-CB 3.44Å; A651-A654 PolarHBondContact O-N 3.27Å; V652-A654 VanDerWaalsContact C-N 3.32Å; V652-A654 PolarHBondContact O-N 3.39Å; A654-R657 WeakPolarHBondContact O-CB 3.48Å; A654-R657 PolarHBondContact O-N 3.23Å |
| 655 | V | 90 | Very high | 84.2 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 112.2 | F592 M610 L614 A651 V652 R657 D658 L665 A669 | F592-V655 HydrophobicContact CE2-CG2 3.84Å; F592-V655 HydrophobicContact CZ-CB 4.26Å; F592-V655 HydrophobicContact CZ-CG2 3.83Å; M610-V655 HydrophobicContact CE-CG2 4.44Å; L614-V655 HydrophobicContact CD1-CG2 4.14Å; A651-V655 WeakPolarHBondContact O-CG2 3.36Å; A651-V655 PolarHBondContact O-N 3.15Å; A651-V655 VanDerWaalsContact O-N 3.1Å; V652-V655 PolarHBondContact O-N 2.86Å; V655-R657 PolarHBondContact O-N 2.95Å; V655-D658 PolarHBondContact O-N 2.85Å; V655-L665 HydrophobicContact CG1-CD2 4.13Å; V655-L665 HydrophobicContact CG1-CG 3.69Å; V655-L665 HydrophobicContact CG2-CD1 4.34Å; V655-L665 HydrophobicContact CG2-CD2 4.18Å; V655-L665 HydrophobicContact CG2-CG 4.16Å; V655-A669 HydrophobicContact CB-CB 4.03Å; V655-A669 HydrophobicContact CG1-CB 3.68Å |
| 656 | L | 90.7 | Very high | 84 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.3 | -22.6 | -175.6 | -66.4 | 174.3 | 0 | 0 | 0 | 112.8 | V652 D658 S659 A669 V670 L673 L695 Y704 L715 | V652-L656 HydrophobicContact CG1-CD1 3.94Å; V652-L656 WeakPolarHBondContact O-CG 3.45Å; V652-L656 PolarHBondContact O-N 3.5Å; L656-D658 VanDerWaalsContact C-N 3.31Å; L656-D658 PolarHBondContact O-N 3.27Å; L656-S659 WeakPolarHBondContact O-CB 3.41Å; L656-S659 PolarHBondContact O-N 2.76Å; L656-A669 HydrophobicContact CD2-CB 4.2Å; L656-A669 HydrophobicContact CG-CB 4.18Å; L656-V670 HydrophobicContact CD2-CG2 3.94Å; L656-L673 HydrophobicContact CD1-CD2 4.3Å; L656-L695 HydrophobicContact CB-CD1 3.97Å; L656-L695 HydrophobicContact CD1-CD1 3.79Å; L656-L695 HydrophobicContact CD1-CD2 4.19Å; L656-Y704 HydrophobicContact CB-CE1 4.29Å; L656-Y704 WeakPolarHBondContact O-CE1 3.4Å; L656-Y704 PolarHBondContact O-OH 3.46Å; L656-L715 HydrophobicContact CD1-CD1 4.14Å |
| 657 | R | 86.6 | Confident | 83.8 | Confident | 136 Ų | 136 | 40.6 Ų | 40.6 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 177.1 | -170.7 | -178 | -57.1 | -173.8 | 4.1 | 112.3 | T653 A654 V655 S659 | T653-R657 WeakPolarHBondContact O-CB 3.22Å; T653-R657 PolarHBondContact O-N 3.49Å; A654-R657 WeakPolarHBondContact O-CB 3.48Å; A654-R657 PolarHBondContact O-N 3.23Å; V655-R657 PolarHBondContact O-N 2.95Å; R657-S659 PolarHBondContact O-N 3.31Å |
| 658 | D | 75.9 | Confident | 83.6 | Confident | 77 Ų | 77 | 40.1 Ų | 40.1 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 48.8 | 178.3 | -83 | -32 | 0 | 0 | 0 | 111.1 | F592 V655 L656 Q660 F661 | F592-D658 HydrophobicContact CE1-CB 4.13Å; V655-D658 PolarHBondContact O-N 2.85Å; L656-D658 VanDerWaalsContact C-N 3.31Å; L656-D658 PolarHBondContact O-N 3.27Å; D658-Q660 PolarHBondContact O-N 3.32Å; D658-F661 HydrophobicContact CB-CD2 4.11Å; D658-F661 PolarHBondContact O-N 2.96Å |
| 659 | S | 57.5 | Low | 83.6 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -0.8 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 116.6 | L656 R657 F661 | L656-S659 WeakPolarHBondContact O-CB 3.41Å; L656-S659 PolarHBondContact O-N 2.76Å; R657-S659 PolarHBondContact O-N 3.31Å; S659-F661 PolarHBondContact O-N 3.32Å |
| 660 | Q | 60.2 | Low | 83.5 | Confident | 188 Ų | 188 | 40.1 Ų | 40.1 | 88% | 0.879 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.8 | 168.4 | -63.3 | -172.6 | -1.9 | 0 | 0 | 112.9 | D658 | D658-Q660 PolarHBondContact O-N 3.32Š|
| 661 | F | 57.1 | Low | 83.4 | Confident | 78 Ų | 78 | 38.1 Ų | 38.1 | 34% | 0.342 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -102.3 | 128.1 | -175.7 | -75.2 | -88.3 | 0 | 0 | 0 | 113.2 | T596 D658 S659 | T596-F661 HydrophobicContact CG2-CZ 4.35Å; D658-F661 HydrophobicContact CB-CD2 4.11Å; D658-F661 PolarHBondContact O-N 2.96Å; S659-F661 PolarHBondContact O-N 3.32Å |
| 662 | C | 66.4 | Low | 83.5 | Confident | 58 Ų | 58 | 38 Ų | 38 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | trans | 36.7 | 113.3 | 163.7 | -166.4 | 0 | 0 | 0 | 0 | 118.2 | V607 K664 L665 A666 | V607-C662 HydrophobicContact CG1-CB 4.19Å; C662-K664 PolarHBondContact O-N 2.89Å; C662-K664 VanDerWaalsContact O-N 3.12Å; C662-L665 PolarHBondContact O-N 3.1Å; C662-L665 VanDerWaalsContact O-N 3.13Å; C662-A666 PolarHBondContact O-N 3.26Å | ||
| 663 | G | 77.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 38 Ų | 38 | 40% | 0.402 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -53.2 | -35.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q667 | G663-Q667 WeakPolarHBondContact O-CB 3.42Å; G663-Q667 PolarHBondContact O-N 3.16Å |
| 664 | K | 80.8 | Confident | 83.7 | Confident | 59 Ų | 59 | 42 Ų | 42 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64 | -48.7 | 178.1 | -68.3 | -175.4 | 178.5 | -176.5 | 0 | 111.9 | A468 I471 C662 A666 Q667 A668 | A468-K664 WeakPolarHBondContact O-CE 3.48Å; A468-K664 PolarHBondContact O-NZ 3.15Å; I471-K664 HydrophobicContact CD1-CB 4.4Å; I471-K664 WeakPolarHBondContact CD1-O 3.5Å; C662-K664 PolarHBondContact O-N 2.89Å; C662-K664 VanDerWaalsContact O-N 3.12Å; K664-A666 VanDerWaalsContact C-N 3.35Å; K664-A666 PolarHBondContact O-N 3.49Å; K664-Q667 PolarHBondContact O-N 2.68Å; K664-A668 PolarHBondContact O-N 3.33Å |
| 665 | L | 86.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | -178.7 | -172 | 58.9 | 0 | 0 | 0 | 111.8 | F591 V607 M610 A611 L614 V655 C662 A668 A669 | F591-L665 HydrophobicContact CE1-CD2 4.22Å; V607-L665 HydrophobicContact CG1-CB 4.17Å; M610-L665 HydrophobicContact CB-CD1 3.77Å; M610-L665 HydrophobicContact CE-CD2 4.41Å; A611-L665 HydrophobicContact CB-CD1 4.31Å; L614-L665 HydrophobicContact CD1-CD1 4.04Å; V655-L665 HydrophobicContact CG1-CD2 4.13Å; V655-L665 HydrophobicContact CG1-CG 3.69Å; V655-L665 HydrophobicContact CG2-CD1 4.34Å; V655-L665 HydrophobicContact CG2-CD2 4.18Å; V655-L665 HydrophobicContact CG2-CG 4.16Å; C662-L665 PolarHBondContact O-N 3.1Å; C662-L665 VanDerWaalsContact O-N 3.13Å; L665-A668 PolarHBondContact O-N 3.06Å; L665-A669 WeakPolarHBondContact O-CB 3.46Å; L665-A669 PolarHBondContact O-N 3.49Å |
| 666 | A | 89.2 | Confident | 84.1 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C662 K664 A669 V670 L707 | C662-A666 PolarHBondContact O-N 3.26Å; K664-A666 VanDerWaalsContact C-N 3.35Å; K664-A666 PolarHBondContact O-N 3.49Å; A666-A669 PolarHBondContact O-N 3.05Å; A666-V670 WeakPolarHBondContact O-CG2 3.43Å; A666-V670 PolarHBondContact O-N 3.44Å; A666-L707 HydrophobicContact CB-CD2 4.32Å |
| 667 | Q | 90.1 | Very high | 84.3 | Confident | 48 Ų | 48 | 41 Ų | 41 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 177.7 | 178.9 | -170.2 | 16 | 0 | 0 | 111.4 | I471 G663 K664 A669 V670 L671 I711 | I471-Q667 HydrophobicContact CD1-CB 3.36Å; I471-Q667 VanDerWaalsContact CD1-CD 3.46Å; I471-Q667 HydrophobicContact CD1-CG 3.5Å; I471-Q667 HydrophobicContact CG1-CB 4.48Å; I471-Q667 HydrophobicContact CG1-CG 4.3Å; G663-Q667 WeakPolarHBondContact O-CB 3.42Å; G663-Q667 PolarHBondContact O-N 3.16Å; K664-Q667 PolarHBondContact O-N 2.68Å; Q667-A669 VanDerWaalsContact C-N 3.33Å; Q667-A669 PolarHBondContact O-N 2.7Å; Q667-V670 PolarHBondContact O-N 2.84Å; Q667-L671 HydrophobicContact CG-CD1 3.99Å; Q667-L671 HydrophobicContact CG-CG 4.32Å; Q667-L671 WeakPolarHBondContact O-CB 3.34Å; Q667-L671 VanDerWaalsContact O-CG 3.22Å; Q667-L671 WeakPolarHBondContact O-CG 3.49Å; Q667-L671 PolarHBondContact O-N 3.05Å; Q667-I711 HydrophobicContact CB-CD1 3.65Å; Q667-I711 HydrophobicContact CB-CG1 3.79Å; Q667-I711 HydrophobicContact CB-CG2 4.49Å; Q667-I711 HydrophobicContact CG-CD1 4.45Å; Q667-I711 HydrophobicContact CG-CG1 4.13Å |
| 668 | A | 90.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I471 A611 L615 K664 L665 V670 L671 T672 | I471-A668 HydrophobicContact CD1-CB 4.11Å; I471-A668 VanDerWaalsContact CD1-N 3.32Å; A611-A668 HydrophobicContact CB-CB 3.75Å; L615-A668 HydrophobicContact CD1-CB 4.34Å; L615-A668 HydrophobicContact CD2-CB 4.32Å; L615-A668 HydrophobicContact CG-CB 4.1Å; K664-A668 PolarHBondContact O-N 3.33Å; L665-A668 PolarHBondContact O-N 3.06Å; A668-V670 PolarHBondContact O-N 2.8Å; A668-L671 PolarHBondContact O-N 2.99Å; A668-T672 WeakPolarHBondContact O-CB 3.37Å; A668-T672 PolarHBondContact O-N 3.48Å; A668-T672 PolarHBondContact O-OG1 3.36Å; A668-T672 VanDerWaalsContact O-OG1 3.06Å |
| 669 | A | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L614 V652 V655 L656 L665 A666 Q667 T672 L673 | L614-A669 HydrophobicContact CD1-CB 4.1Å; V652-A669 HydrophobicContact CG1-CB 4.3Å; V652-A669 WeakPolarHBondContact CG1-O 3.24Å; V655-A669 HydrophobicContact CB-CB 4.03Å; V655-A669 HydrophobicContact CG1-CB 3.68Å; L656-A669 HydrophobicContact CD2-CB 4.2Å; L656-A669 HydrophobicContact CG-CB 4.18Å; L665-A669 WeakPolarHBondContact O-CB 3.46Å; L665-A669 PolarHBondContact O-N 3.49Å; A666-A669 PolarHBondContact O-N 3.05Å; Q667-A669 VanDerWaalsContact C-N 3.33Å; Q667-A669 PolarHBondContact O-N 2.7Å; A669-T672 PolarHBondContact O-N 3.37Å; A669-L673 VanDerWaalsContact O-CB 3.31Å; A669-L673 WeakPolarHBondContact O-CB 3.45Å; A669-L673 PolarHBondContact O-N 2.91Å |
| 670 | V | 93.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | L656 A666 Q667 A668 T672 L673 R674 I711 A714 L715 | L656-V670 HydrophobicContact CD2-CG2 3.94Å; A666-V670 WeakPolarHBondContact O-CG2 3.43Å; A666-V670 PolarHBondContact O-N 3.44Å; Q667-V670 PolarHBondContact O-N 2.84Å; A668-V670 PolarHBondContact O-N 2.8Å; V670-T672 VanDerWaalsContact C-N 3.34Å; V670-T672 PolarHBondContact O-N 3.03Å; V670-L673 WeakPolarHBondContact O-CB 3.27Å; V670-L673 PolarHBondContact O-N 3.04Å; V670-R674 WeakPolarHBondContact O-CB 3.34Å; V670-R674 PolarHBondContact O-N 3.4Å; V670-I711 HydrophobicContact CB-CG2 4.3Å; V670-I711 HydrophobicContact CG2-CG2 3.77Å; V670-A714 HydrophobicContact CG1-CB 3.67Å; V670-L715 HydrophobicContact CG1-CB 4.06Å; V670-L715 HydrophobicContact CG2-CB 3.95Å; V670-L715 HydrophobicContact CG2-CD1 4.33Å |
| 671 | L | 93.7 | Very high | 88.4 | Confident | 36 Ų | 36 | 25.3 Ų | 25.3 | 19% | 0.188 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 178 | -69.3 | 174.1 | 0 | 0 | 0 | 111.5 | I471 L615 R618 Q667 A668 S675 | I471-L671 HydrophobicContact CB-CD1 4.49Å; I471-L671 HydrophobicContact CG2-CD1 4.09Å; L615-L671 HydrophobicContact CD2-CB 4.24Å; L615-L671 HydrophobicContact CD2-CD1 4.23Å; R618-L671 VanDerWaalsContact NH1-CD2 3.26Å; Q667-L671 HydrophobicContact CG-CD1 3.99Å; Q667-L671 HydrophobicContact CG-CG 4.32Å; Q667-L671 WeakPolarHBondContact O-CB 3.34Å; Q667-L671 VanDerWaalsContact O-CG 3.22Å; Q667-L671 WeakPolarHBondContact O-CG 3.49Å; Q667-L671 PolarHBondContact O-N 3.05Å; A668-L671 PolarHBondContact O-N 2.99Å; L671-S675 PolarHBondContact O-N 3.11Å; L671-S675 VanDerWaalsContact O-N 3.12Å; L671-S675 PolarHBondContact O-OG 3.27Å |
| 672 | T | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.6 | -43.3 | 174.3 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | L614 F617 V652 A668 A669 V670 R674 S675 I676 | L614-T672 VanDerWaalsContact O-CG2 3.3Å; L614-T672 WeakPolarHBondContact O-CG2 3.21Å; L614-T672 PolarHBondContact O-OG1 2.69Å; F617-T672 HydrophobicContact CB-CG2 3.8Å; V652-T672 HydrophobicContact CG2-CG2 3.86Å; A668-T672 WeakPolarHBondContact O-CB 3.37Å; A668-T672 PolarHBondContact O-N 3.48Å; A668-T672 PolarHBondContact O-OG1 3.36Å; A668-T672 VanDerWaalsContact O-OG1 3.06Å; A669-T672 PolarHBondContact O-N 3.37Å; V670-T672 VanDerWaalsContact C-N 3.34Å; V670-T672 PolarHBondContact O-N 3.03Å; T672-R674 VanDerWaalsContact C-N 3.3Å; T672-R674 PolarHBondContact O-N 2.75Å; T672-S675 PolarHBondContact O-N 3.36Å; T672-I676 HydrophobicContact CG2-CD1 3.82Å; T672-I676 HydrophobicContact CG2-CG1 4.48Å; T672-I676 WeakPolarHBondContact O-CG1 3.46Å; T672-I676 PolarHBondContact O-N 3.2Å |
| 673 | L | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.6 | -49.1 | 173.6 | -173.8 | 66.6 | 0 | 0 | 0 | 110.7 | L649 V652 L656 A669 V670 S675 I676 L677 I692 L695 L715 L719 | L649-L673 HydrophobicContact CD2-CD1 3.81Å; V652-L673 HydrophobicContact CG1-CB 3.8Å; V652-L673 HydrophobicContact CG1-CD1 3.91Å; V652-L673 HydrophobicContact CG1-CG 4.3Å; L656-L673 HydrophobicContact CD1-CD2 4.3Å; A669-L673 VanDerWaalsContact O-CB 3.31Å; A669-L673 WeakPolarHBondContact O-CB 3.45Å; A669-L673 PolarHBondContact O-N 2.91Å; V670-L673 WeakPolarHBondContact O-CB 3.27Å; V670-L673 PolarHBondContact O-N 3.04Å; L673-S675 PolarHBondContact O-N 2.94Å; L673-I676 PolarHBondContact O-N 3.18Å; L673-L677 HydrophobicContact CD1-CD1 3.76Å; L673-L677 HydrophobicContact CD1-CG 3.92Å; L673-L677 HydrophobicContact CD2-CD1 4.3Å; L673-L677 HydrophobicContact CG-CD1 3.76Å; L673-L677 HydrophobicContact CG-CG 4.13Å; L673-L677 WeakPolarHBondContact O-CB 3.38Å; L673-L677 WeakPolarHBondContact O-CG 3.28Å; L673-L677 PolarHBondContact O-N 3.03Å; L673-I692 HydrophobicContact CD1-CD1 4.25Å; L673-L695 HydrophobicContact CD1-CD2 4.37Å; L673-L695 HydrophobicContact CD2-CD2 3.69Å; L673-L715 HydrophobicContact CD2-CD1 3.59Å; L673-L719 HydrophobicContact CD2-CD2 4.32Å |
| 674 | R | 95.4 | Very high | 90.6 | Very high | 90 Ų | 90 | 21.9 Ų | 21.9 | 34% | 0.34 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 179.5 | -175.2 | 177.4 | 177.7 | 114.3 | -4.3 | 111.3 | V670 T672 I676 L677 L678 S718 | V670-R674 WeakPolarHBondContact O-CB 3.34Å; V670-R674 PolarHBondContact O-N 3.4Å; T672-R674 VanDerWaalsContact C-N 3.3Å; T672-R674 PolarHBondContact O-N 2.75Å; R674-I676 PolarHBondContact O-N 2.89Å; R674-L677 PolarHBondContact O-N 3.5Å; R674-L678 HydrophobicContact CG-CD1 3.76Å; R674-L678 HydrophobicContact CG-CG 4.25Å; R674-L678 VanDerWaalsContact O-CB 3.24Å; R674-L678 WeakPolarHBondContact O-CB 3.46Å; R674-L678 WeakPolarHBondContact O-CG 3.43Å; R674-L678 PolarHBondContact O-N 3.03Å; R674-S718 VanDerWaalsContact CB-OG 3.24Å; R674-S718 WeakPolarHBondContact CB-OG 3.49Å; R674-S718 VanDerWaalsContact CG-OG 3.29Å; R674-S718 WeakPolarHBondContact CG-OG 3.4Å |
| 675 | S | 94.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 20.9 Ų | 20.9 | 8% | 0.084 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.3 | -73 | 0 | 0 | 0 | 0 | 111.9 | R618 L671 T672 L673 T679 I680 | R618-S675 WeakPolarHBondContact CG-OG 3.23Å; L671-S675 PolarHBondContact O-N 3.11Å; L671-S675 VanDerWaalsContact O-N 3.12Å; L671-S675 PolarHBondContact O-OG 3.27Å; T672-S675 PolarHBondContact O-N 3.36Å; L673-S675 PolarHBondContact O-N 2.94Å; S675-T679 WeakPolarHBondContact O-CA 3.19Å; S675-T679 WeakPolarHBondContact O-CB 3.45Å; S675-T679 PolarHBondContact O-N 3.07Å; S675-T679 PolarHBondContact O-OG1 3.41Å; S675-I680 PolarHBondContact O-N 2.78Å |
| 676 | I | 95.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -66.8 | -50.5 | 179 | -63.8 | 166.2 | 0 | 0 | 0 | 110.9 | V645 A648 L649 T672 L673 R674 I680 R681 P682 | V645-I676 HydrophobicContact CG1-CG2 3.84Å; A648-I676 HydrophobicContact CB-CD1 3.54Å; L649-I676 HydrophobicContact CD1-CG2 4.13Å; L649-I676 HydrophobicContact CD2-CB 4.14Å; L649-I676 HydrophobicContact CD2-CD1 4.09Å; L649-I676 HydrophobicContact CD2-CG2 3.71Å; L649-I676 HydrophobicContact CG-CD1 4.32Å; L649-I676 HydrophobicContact CG-CG2 3.91Å; T672-I676 HydrophobicContact CG2-CD1 3.82Å; T672-I676 HydrophobicContact CG2-CG1 4.48Å; T672-I676 WeakPolarHBondContact O-CG1 3.46Å; T672-I676 PolarHBondContact O-N 3.2Å; L673-I676 PolarHBondContact O-N 3.18Å; R674-I676 PolarHBondContact O-N 2.89Å; I676-I680 HydrophobicContact CB-CD1 4.44Å; I676-I680 HydrophobicContact CG1-CD1 4.24Å; I676-I680 HydrophobicContact CG2-CD1 4.33Å; I676-I680 WeakPolarHBondContact O-CB 3.42Å; I676-I680 PolarHBondContact O-N 3.37Å; I676-R681 PolarHBondContact O-N 2.91Å; I676-P682 HydrophobicContact CG2-CG 4.36Å; I676-P682 WeakPolarHBondContact O-CD 3.48Å |
| 677 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -68.6 | -37.9 | -175.4 | -67.8 | -172.2 | 0 | 0 | 0 | 112.6 | L649 L673 R674 R681 V686 L719 Y722 | L649-L677 HydrophobicContact CD2-CD2 4.41Å; L673-L677 HydrophobicContact CD1-CD1 3.76Å; L673-L677 HydrophobicContact CD1-CG 3.92Å; L673-L677 HydrophobicContact CD2-CD1 4.3Å; L673-L677 HydrophobicContact CG-CD1 3.76Å; L673-L677 HydrophobicContact CG-CG 4.13Å; L673-L677 WeakPolarHBondContact O-CB 3.38Å; L673-L677 WeakPolarHBondContact O-CG 3.28Å; L673-L677 PolarHBondContact O-N 3.03Å; R674-L677 PolarHBondContact O-N 3.5Å; L677-R681 WeakPolarHBondContact O-CA 3.38Å; L677-R681 WeakPolarHBondContact O-CG 3.41Å; L677-V686 HydrophobicContact CD2-CG1 3.88Å; L677-L719 HydrophobicContact CD1-CD2 4.18Å; L677-Y722 HydrophobicContact CB-CD2 3.99Å; L677-Y722 HydrophobicContact CB-CG 4.23Å; L677-Y722 HydrophobicContact CD1-CG 4.41Å; L677-Y722 HydrophobicContact CD2-CD1 4.46Å; L677-Y722 HydrophobicContact CD2-CD2 3.95Å; L677-Y722 HydrophobicContact CD2-CE2 4.17Å; L677-Y722 HydrophobicContact CD2-CG 4.08Å; L677-Y722 HydrophobicContact CG-CD2 4.47Å; L677-Y722 HydrophobicContact CG-CG 4.48Å; L677-Y722 WeakPolarHBondContact O-CD2 3.37Å |
| 678 | L | 93 | Very high | 91.2 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 12% | 0.12 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -102.2 | -27.7 | -170.4 | -52.5 | -170.2 | 0 | 0 | 0 | 114 | R674 R681 N721 L725 | R674-L678 HydrophobicContact CG-CD1 3.76Å; R674-L678 HydrophobicContact CG-CG 4.25Å; R674-L678 VanDerWaalsContact O-CB 3.24Å; R674-L678 WeakPolarHBondContact O-CB 3.46Å; R674-L678 WeakPolarHBondContact O-CG 3.43Å; R674-L678 PolarHBondContact O-N 3.03Å; L678-R681 WeakPolarHBondContact O-CG 3.35Å; L678-R681 PolarHBondContact O-NE 2.88Å; L678-N721 HydrophobicContact CD1-CB 4.27Å; L678-N721 HydrophobicContact CD2-CB 3.59Å; L678-L725 HydrophobicContact CD2-CD1 4.1Å |
| 679 | T | 91.4 | Very high | 91.4 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 32% | 0.319 | 13% | 0.134 | S | C | . | . | I | π-helix | trans | -93.3 | -47.4 | 177 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | S625 S675 Y728 | S625-T679 PolarHBondContact OG-O 2.96Å; S675-T679 WeakPolarHBondContact O-CA 3.19Å; S675-T679 WeakPolarHBondContact O-CB 3.45Å; S675-T679 PolarHBondContact O-N 3.07Å; S675-T679 PolarHBondContact O-OG1 3.41Å; T679-Y728 WeakPolarHBondContact O-CE2 3.19Å |
| 680 | I | 91.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -80.9 | -36.3 | 179.5 | -53.8 | 172.1 | 0 | 0 | 0 | 111.1 | L624 Y628 V645 S675 I676 | L624-I680 HydrophobicContact CB-CD1 3.65Å; L624-I680 HydrophobicContact CB-CG1 4.15Å; L624-I680 HydrophobicContact CD1-CD1 4.03Å; L624-I680 HydrophobicContact CG-CD1 4.47Å; Y628-I680 HydrophobicContact CD1-CG2 4.28Å; Y628-I680 HydrophobicContact CD2-CG2 4.44Å; Y628-I680 HydrophobicContact CG-CG2 3.95Å; V645-I680 HydrophobicContact CG2-CD1 4.33Å; V645-I680 HydrophobicContact CG2-CG2 4.34Å; S675-I680 PolarHBondContact O-N 2.78Å; I676-I680 HydrophobicContact CB-CD1 4.44Å; I676-I680 HydrophobicContact CG1-CD1 4.24Å; I676-I680 HydrophobicContact CG2-CD1 4.33Å; I676-I680 WeakPolarHBondContact O-CB 3.42Å; I676-I680 PolarHBondContact O-N 3.37Å |
| 681 | R | 90.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | trans | 47.8 | 52.3 | -177.3 | -53.8 | -171.8 | -175 | -174.7 | 1.4 | 114.5 | I676 L677 L678 H683 P726 Y728 E791 | I676-R681 PolarHBondContact O-N 2.91Å; L677-R681 WeakPolarHBondContact O-CA 3.38Å; L677-R681 WeakPolarHBondContact O-CG 3.41Å; L678-R681 WeakPolarHBondContact O-CG 3.35Å; L678-R681 PolarHBondContact O-NE 2.88Å; R681-H683 PolarHBondContact O-N 3.12Å; R681-P726 WeakPolarHBondContact CD-O 3.42Å; R681-P726 PolarHBondContact NH1-O 3.25Å; R681-Y728 HydrophobicContact CB-CD2 3.73Å; R681-Y728 HydrophobicContact CB-CE2 3.89Å; R681-Y728 VanDerWaalsContact CD-CE2 3.48Å; R681-Y728 HydrophobicContact CG-CD2 4Å; R681-Y728 HydrophobicContact CG-CE2 3.61Å; R681-Y728 PolarHBondContact NE-OH 3.09Å; R681-E791 IonicContact NH2-OE1 3.82Å | ||
| 682 | P | 89.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -65.5 | 131.1 | 179.1 | 29.9 | -38.2 | 0 | 0 | 0 | 111.4 | Y628 V645 I676 V686 Y722 | Y628-P682 HydrophobicContact CE1-CB 4.11Å; Y628-P682 HydrophobicContact CE2-CB 4.03Å; V645-P682 HydrophobicContact CG1-CB 4.09Å; V645-P682 HydrophobicContact CG1-CG 3.85Å; I676-P682 HydrophobicContact CG2-CG 4.36Å; I676-P682 WeakPolarHBondContact O-CD 3.48Å; P682-V686 HydrophobicContact CB-CG2 3.78Å; P682-V686 HydrophobicContact CG-CG2 3.41Å; P682-V686 VanDerWaalsContact CG-CG2 3.41Å; P682-Y722 PolarHBondContact O-OH 3.33Å | ||
| 683 | H | 84 | Confident | 91.5 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 15% | 0.153 | 18% | 0.181 | C | C | . | . | trans | -111.2 | -25.5 | -172.6 | 62.9 | -94.1 | 0 | 0 | 0 | 116.3 | R681 F685 W727 Y728 | R681-H683 PolarHBondContact O-N 3.12Å; H683-F685 PolarHBondContact O-N 3.34Å; H683-W727 HydrophobicContact CB-CB 3.79Å; H683-W727 HydrophobicContact CB-CD2 3.27Å; H683-W727 HydrophobicContact CB-CE3 3.19Å; H683-W727 HydrophobicContact CB-CG 3.59Å; H683-W727 HydrophobicContact CB-CH2 4.27Å; H683-W727 HydrophobicContact CB-CZ2 4.39Å; H683-W727 HydrophobicContact CB-CZ3 3.72Å; H683-Y728 PolarHBondContact ND1-O 3.06Å | ||
| 684 | S | 72.9 | Confident | 91.4 | Very high | 70 Ų | 70 | 35 Ų | 35 | 49% | 0.49 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -76.1 | -23 | -166 | 51.1 | 0 | 0 | 0 | 0 | 115.2 | Y628 | Y628-S684 PolarHBondContact OH-OG 3.29Š|
| 685 | F | 87.5 | Confident | 91.3 | Very high | 38 Ų | 38 | 30.9 Ų | 30.9 | 17% | 0.167 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -141 | -12.5 | -172.7 | 66.8 | -91.2 | 0 | 0 | 0 | 115.4 | Y628 V645 H683 L687 S688 M689 | Y628-F685 HydrophobicContact CE2-CE1 4.49Å; V645-F685 HydrophobicContact CB-CZ 4.13Å; V645-F685 HydrophobicContact CG1-CZ 3.86Å; H683-F685 PolarHBondContact O-N 3.34Å; F685-L687 PolarHBondContact O-N 2.94Å; F685-S688 PolarHBondContact O-N 3.1Å; F685-S688 VanDerWaalsContact O-N 3.1Å; F685-S688 PolarHBondContact O-OG 3.41Å; F685-M689 HydrophobicContact CD2-CG 3.85Å; F685-M689 HydrophobicContact CD2-SD 3.6Å; F685-M689 HydrophobicContact CE2-CG 4.41Å; F685-M689 HydrophobicContact CE2-SD 3.55Å; F685-M689 VanDerWaalsContact CE2-SD 3.55Å; F685-M689 WeakPolarHBondContact O-CG 2.97Å; F685-M689 PolarHBondContact O-N 3.2Å |
| 686 | V | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -66.8 | -41.5 | -166.3 | 171.6 | 0 | 0 | 0 | 0 | 112.9 | L649 L677 P682 S688 M689 I692 Y722 | L649-V686 HydrophobicContact CD1-CG1 4.13Å; L649-V686 HydrophobicContact CD1-CG2 3.77Å; L677-V686 HydrophobicContact CD2-CG1 3.88Å; P682-V686 HydrophobicContact CB-CG2 3.78Å; P682-V686 HydrophobicContact CG-CG2 3.41Å; P682-V686 VanDerWaalsContact CG-CG2 3.41Å; V686-S688 PolarHBondContact O-N 3.01Å; V686-M689 WeakPolarHBondContact O-CB 3.32Å; V686-M689 PolarHBondContact O-N 2.9Å; V686-I692 HydrophobicContact CG1-CG1 4.13Å; V686-I692 HydrophobicContact CG1-CG2 4.26Å; V686-I692 WeakPolarHBondContact O-CB 3.46Å; V686-Y722 WeakPolarHBondContact CB-OH 3.05Å; V686-Y722 HydrophobicContact CG1-CE1 4.14Å |
| 687 | L | 90.6 | Very high | 91.4 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -71.7 | -17.1 | 176.7 | -66.4 | 179.2 | 0 | 0 | 0 | 113.5 | F685 Q693 Y696 Y722 L723 W727 R740 | F685-L687 PolarHBondContact O-N 2.94Å; L687-Q693 WeakPolarHBondContact O-CG 3.36Å; L687-Q693 PolarHBondContact O-NE2 2.87Å; L687-Y696 HydrophobicContact CD2-CE2 3.87Å; L687-Y722 HydrophobicContact CD2-CD1 4.27Å; L687-Y722 HydrophobicContact CD2-CE1 3.76Å; L687-Y722 HydrophobicContact CG-CE1 3.95Å; L687-L723 HydrophobicContact CD2-CD2 4.12Å; L687-W727 HydrophobicContact CD1-CH2 4.01Å; L687-W727 HydrophobicContact CD1-CZ2 3.85Å; L687-W727 HydrophobicContact CG-CZ2 4.44Å; L687-R740 HydrophobicContact CD1-CG 3.79Å |
| 688 | S | 90.4 | Very high | 91.3 | Very high | 76 Ų | 76 | 40 Ų | 40 | 53% | 0.531 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -90.4 | -8 | 174.5 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | F685 V686 N690 | F685-S688 PolarHBondContact O-N 3.1Å; F685-S688 VanDerWaalsContact O-N 3.1Å; F685-S688 PolarHBondContact O-OG 3.41Å; V686-S688 PolarHBondContact O-N 3.01Å; S688-N690 PolarHBondContact O-N 3.38Å |
| 689 | M | 94.4 | Very high | 91.3 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | trans | -69.4 | 124.7 | 175.2 | -67.5 | 179.9 | 73.1 | 0 | 0 | 111.4 | L649 N650 F685 V686 G691 I692 Q693 | L649-M689 HydrophobicContact CB-CE 3.88Å; L649-M689 HydrophobicContact CB-SD 4.18Å; L649-M689 HydrophobicContact CD1-SD 3.86Å; N650-M689 WeakPolarHBondContact OD1-CE 3.46Å; F685-M689 HydrophobicContact CD2-CG 3.85Å; F685-M689 HydrophobicContact CD2-SD 3.6Å; F685-M689 HydrophobicContact CE2-CG 4.41Å; F685-M689 HydrophobicContact CE2-SD 3.55Å; F685-M689 VanDerWaalsContact CE2-SD 3.55Å; F685-M689 WeakPolarHBondContact O-CG 2.97Å; F685-M689 PolarHBondContact O-N 3.2Å; V686-M689 WeakPolarHBondContact O-CB 3.32Å; V686-M689 PolarHBondContact O-N 2.9Å; M689-G691 PolarHBondContact O-N 2.96Å; M689-G691 VanDerWaalsContact O-N 3.15Å; M689-I692 HydrophobicContact CB-CB 4.19Å; M689-I692 HydrophobicContact CB-CG1 4Å; M689-I692 PolarHBondContact O-N 2.72Å; M689-I692 HydrophobicContact SD-CG1 4.38Å; M689-Q693 PolarHBondContact O-N 2.91Å | ||
| 690 | N | 94.2 | Very high | 91.5 | Very high | 132 Ų | 132 | 37.7 Ų | 37.7 | 71% | 0.706 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -52.3 | -39.7 | 177.3 | -68.4 | -24.1 | 0 | 0 | 0 | 113.1 | S688 S694 | S688-N690 PolarHBondContact O-N 3.38Å; N690-S694 VanDerWaalsContact O-CB 3.28Å; N690-S694 WeakPolarHBondContact O-CB 3.26Å; N690-S694 PolarHBondContact O-N 3.39Å |
| 691 | G | 92.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | M689 S694 L695 | M689-G691 PolarHBondContact O-N 2.96Å; M689-G691 VanDerWaalsContact O-N 3.15Å; G691-S694 PolarHBondContact O-N 2.93Å; G691-L695 WeakPolarHBondContact O-CB 3.1Å; G691-L695 PolarHBondContact O-N 3.38Å |
| 692 | I | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.8 | -42 | 179.5 | -62.5 | -65.2 | 0 | 0 | 0 | 111.1 | L649 T653 L673 V686 M689 S694 L695 Y696 | L649-I692 HydrophobicContact CD2-CD1 4.19Å; T653-I692 HydrophobicContact CG2-CD1 3.73Å; T653-I692 HydrophobicContact CG2-CG1 4.35Å; L673-I692 HydrophobicContact CD1-CD1 4.25Å; V686-I692 HydrophobicContact CG1-CG1 4.13Å; V686-I692 HydrophobicContact CG1-CG2 4.26Å; V686-I692 WeakPolarHBondContact O-CB 3.46Å; M689-I692 HydrophobicContact CB-CB 4.19Å; M689-I692 HydrophobicContact CB-CG1 4Å; M689-I692 PolarHBondContact O-N 2.72Å; M689-I692 HydrophobicContact SD-CG1 4.38Å; I692-S694 VanDerWaalsContact C-N 3.3Å; I692-S694 PolarHBondContact O-N 3.46Å; I692-L695 WeakPolarHBondContact O-CB 3.31Å; I692-L695 PolarHBondContact O-N 2.91Å; I692-L695 VanDerWaalsContact O-N 3.1Å; I692-Y696 HydrophobicContact CG2-CD2 3.86Å; I692-Y696 HydrophobicContact CG2-CE2 3.63Å; I692-Y696 VanDerWaalsContact O-CD2 3.29Å; I692-Y696 WeakPolarHBondContact O-CD2 3.4Å; I692-Y696 PolarHBondContact O-N 3.39Å |
| 693 | Q | 94.7 | Very high | 91.4 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 173.8 | -68.3 | -175.7 | -7.8 | 0 | 0 | 111.8 | L687 M689 L695 Y696 R697 | L687-Q693 WeakPolarHBondContact O-CG 3.36Å; L687-Q693 PolarHBondContact O-NE2 2.87Å; M689-Q693 PolarHBondContact O-N 2.91Å; Q693-L695 VanDerWaalsContact C-N 3.32Å; Q693-Y696 PolarHBondContact O-N 2.94Å; Q693-R697 WeakPolarHBondContact O-CB 3.22Å; Q693-R697 PolarHBondContact O-N 2.7Å |
| 694 | S | 94.1 | Very high | 91.6 | Very high | 30 Ų | 30 | 45 Ų | 45 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 173.2 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | N690 G691 I692 R697 Q698 | N690-S694 VanDerWaalsContact O-CB 3.28Å; N690-S694 WeakPolarHBondContact O-CB 3.26Å; N690-S694 PolarHBondContact O-N 3.39Å; G691-S694 PolarHBondContact O-N 2.93Å; I692-S694 VanDerWaalsContact C-N 3.3Å; I692-S694 PolarHBondContact O-N 3.46Å; S694-R697 PolarHBondContact O-N 2.79Å; S694-Q698 WeakPolarHBondContact O-CB 3.45Å; S694-Q698 VanDerWaalsContact O-CG 3.23Å; S694-Q698 WeakPolarHBondContact O-CG 3.37Å; S694-Q698 PolarHBondContact O-N 3.34Å |
| 695 | L | 94.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 179.6 | -172.1 | 66.5 | 0 | 0 | 0 | 111.9 | T653 L656 L673 G691 I692 Q693 S699 Y704 L715 L719 | T653-L695 HydrophobicContact CG2-CD2 4.47Å; L656-L695 HydrophobicContact CB-CD1 3.97Å; L656-L695 HydrophobicContact CD1-CD1 3.79Å; L656-L695 HydrophobicContact CD1-CD2 4.19Å; L673-L695 HydrophobicContact CD1-CD2 4.37Å; L673-L695 HydrophobicContact CD2-CD2 3.69Å; G691-L695 WeakPolarHBondContact O-CB 3.1Å; G691-L695 PolarHBondContact O-N 3.38Å; I692-L695 WeakPolarHBondContact O-CB 3.31Å; I692-L695 PolarHBondContact O-N 2.91Å; I692-L695 VanDerWaalsContact O-N 3.1Å; Q693-L695 VanDerWaalsContact C-N 3.32Å; L695-S699 WeakPolarHBondContact O-CB 3.3Å; L695-S699 PolarHBondContact O-N 3.33Å; L695-S699 PolarHBondContact O-OG 3.38Å; L695-Y704 HydrophobicContact CD1-CE2 3.78Å; L695-Y704 VanDerWaalsContact CD1-OH 3.22Å; L695-Y704 WeakPolarHBondContact CD1-OH 3.3Å; L695-L715 HydrophobicContact CD1-CD1 4.44Å; L695-L715 HydrophobicContact CD2-CD1 4.35Å; L695-L719 HydrophobicContact CD2-CD1 4.45Å; L695-L719 HydrophobicContact CD2-CD2 3.84Å; L695-L719 HydrophobicContact CG-CD1 4.23Å; L695-L719 HydrophobicContact CG-CD2 4.33Å |
| 696 | Y | 95.7 | Very high | 92 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 172.4 | -81.1 | -70.9 | 0 | 0 | 0 | 111.7 | L687 I692 Q693 Q698 S699 I700 L719 L723 V743 L747 | L687-Y696 HydrophobicContact CD2-CE2 3.87Å; I692-Y696 HydrophobicContact CG2-CD2 3.86Å; I692-Y696 HydrophobicContact CG2-CE2 3.63Å; I692-Y696 VanDerWaalsContact O-CD2 3.29Å; I692-Y696 WeakPolarHBondContact O-CD2 3.4Å; I692-Y696 PolarHBondContact O-N 3.39Å; Q693-Y696 PolarHBondContact O-N 2.94Å; Y696-Q698 PolarHBondContact O-N 3.01Å; Y696-S699 PolarHBondContact O-N 2.95Å; Y696-I700 WeakPolarHBondContact O-CD1 2.99Å; Y696-I700 VanDerWaalsContact O-CG1 3.29Å; Y696-I700 WeakPolarHBondContact O-CG1 3.45Å; Y696-I700 PolarHBondContact O-N 3.04Å; Y696-L719 HydrophobicContact CD1-CB 4.5Å; Y696-L719 HydrophobicContact CE1-CB 3.8Å; Y696-L719 HydrophobicContact CE1-CD2 4.03Å; Y696-L719 HydrophobicContact CE1-CG 4.38Å; Y696-L719 HydrophobicContact CE2-CD2 4.27Å; Y696-L719 PolarHBondContact OH-O 3.01Å; Y696-L723 HydrophobicContact CD1-CD1 4.36Å; Y696-L723 HydrophobicContact CE1-CD1 3.55Å; Y696-L723 HydrophobicContact CE1-CD2 4.3Å; Y696-L723 HydrophobicContact CE1-CG 3.98Å; Y696-L723 WeakPolarHBondContact OH-CG 3.32Å; Y696-V743 HydrophobicContact CD1-CG1 4.06Å; Y696-V743 HydrophobicContact CE1-CG1 4.41Å; Y696-V743 HydrophobicContact CG-CG1 4.34Å; Y696-L747 HydrophobicContact CD1-CD2 4.33Å; Y696-L747 HydrophobicContact CE1-CD2 4.17Å |
| 697 | R | 95.1 | Very high | 91.8 | Very high | 155 Ų | 155 | 50.8 Ų | 50.8 | 59% | 0.585 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.1 | -49 | 178.7 | -175.1 | -179.1 | -67.6 | 132 | 0.5 | 111.4 | Q693 S694 S699 I700 D701 | Q693-R697 WeakPolarHBondContact O-CB 3.22Å; Q693-R697 PolarHBondContact O-N 2.7Å; S694-R697 PolarHBondContact O-N 2.79Å; R697-S699 VanDerWaalsContact C-N 3.31Å; R697-S699 PolarHBondContact O-N 3.13Å; R697-I700 CarbonylContact O-C 3.6Å; R697-I700 WeakPolarHBondContact O-CB 3.22Å; R697-I700 PolarHBondContact O-N 2.64Å; R697-I700 VanDerWaalsContact O-N 3.14Å; R697-D701 WeakPolarHBondContact CG-OD2 3.21Å; R697-D701 WeakPolarHBondContact O-CB 3.26Å; R697-D701 PolarHBondContact O-N 3.38Å |
| 698 | Q | 92.9 | Very high | 91.6 | Very high | 37 Ų | 37 | 52.5 Ų | 52.5 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 179 | -72.8 | 171.2 | -23.1 | 0 | 0 | 113.1 | S694 Y696 D701 G702 L703 Y704 | S694-Q698 WeakPolarHBondContact O-CB 3.45Å; S694-Q698 VanDerWaalsContact O-CG 3.23Å; S694-Q698 WeakPolarHBondContact O-CG 3.37Å; S694-Q698 PolarHBondContact O-N 3.34Å; Y696-Q698 PolarHBondContact O-N 3.01Å; Q698-D701 PolarHBondContact O-N 3.42Å; Q698-G702 PolarHBondContact O-N 3.43Å; Q698-G702 VanDerWaalsContact O-N 3.14Å; Q698-L703 HydrophobicContact CB-CB 4.1Å; Q698-L703 HydrophobicContact CB-CD2 3.95Å; Q698-L703 HydrophobicContact CG-CD2 3.86Å; Q698-L703 WeakPolarHBondContact O-CB 3.32Å; Q698-L703 PolarHBondContact O-N 2.98Å; Q698-Y704 HydrophobicContact CB-CE2 3.68Å; Q698-Y704 PolarHBondContact OE1-OH 3Å |
| 699 | S | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 173.1 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | L695 Y696 R697 G702 Y704 L719 | L695-S699 WeakPolarHBondContact O-CB 3.3Å; L695-S699 PolarHBondContact O-N 3.33Å; L695-S699 PolarHBondContact O-OG 3.38Å; Y696-S699 PolarHBondContact O-N 2.95Å; R697-S699 VanDerWaalsContact C-N 3.31Å; R697-S699 PolarHBondContact O-N 3.13Å; S699-G702 PolarHBondContact O-N 2.72Å; S699-Y704 WeakPolarHBondContact OG-CD2 3.45Å; S699-L719 WeakPolarHBondContact OG-CD1 3.08Å |
| 700 | I | 94.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 58 Ų | 58 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 174.9 | -68.3 | 161.2 | 0 | 0 | 0 | 111.4 | Y696 R697 G702 Q746 L747 S750 | Y696-I700 WeakPolarHBondContact O-CD1 2.99Å; Y696-I700 VanDerWaalsContact O-CG1 3.29Å; Y696-I700 WeakPolarHBondContact O-CG1 3.45Å; Y696-I700 PolarHBondContact O-N 3.04Å; R697-I700 CarbonylContact O-C 3.6Å; R697-I700 WeakPolarHBondContact O-CB 3.22Å; R697-I700 PolarHBondContact O-N 2.64Å; R697-I700 VanDerWaalsContact O-N 3.14Å; I700-G702 PolarHBondContact O-N 3.1Å; I700-Q746 HydrophobicContact CD1-CB 4.42Å; I700-Q746 HydrophobicContact CD1-CG 3.9Å; I700-Q746 HydrophobicContact CG1-CG 4.33Å; I700-Q746 HydrophobicContact CG2-CG 4.14Å; I700-L747 HydrophobicContact CG1-CB 4.5Å; I700-L747 HydrophobicContact CG1-CD1 4.16Å; I700-S750 PolarHBondContact O-OG 3.41Å |
| 701 | D | 91.6 | Very high | 90.9 | Very high | 119 Ų | 119 | 52.3 Ų | 52.3 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -5.2 | 178.2 | -63.7 | -21.8 | 0 | 0 | 0 | 112.6 | R697 Q698 | R697-D701 WeakPolarHBondContact CG-OD2 3.21Å; R697-D701 WeakPolarHBondContact O-CB 3.26Å; R697-D701 PolarHBondContact O-N 3.38Å; Q698-D701 PolarHBondContact O-N 3.42Å |
| 702 | G | 89 | Confident | 90.8 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 16.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q698 S699 I700 Y704 K705 | Q698-G702 PolarHBondContact O-N 3.43Å; Q698-G702 VanDerWaalsContact O-N 3.14Å; S699-G702 PolarHBondContact O-N 2.72Å; I700-G702 PolarHBondContact O-N 3.1Å; G702-Y704 PolarHBondContact O-N 3.27Å; G702-K705 WeakPolarHBondContact O-CB 3.5Å; G702-K705 WeakPolarHBondContact O-CG 3.44Å; G702-K705 PolarHBondContact O-N 3.28Å; G702-K705 VanDerWaalsContact O-N 3.16Å |
| 703 | L | 88.6 | Confident | 90.6 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 40% | 0.403 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -56.6 | -37.7 | -179.8 | -173 | 70 | 0 | 0 | 0 | 112.2 | Q698 K705 | Q698-L703 HydrophobicContact CB-CB 4.1Å; Q698-L703 HydrophobicContact CB-CD2 3.95Å; Q698-L703 HydrophobicContact CG-CD2 3.86Å; Q698-L703 WeakPolarHBondContact O-CB 3.32Å; Q698-L703 PolarHBondContact O-N 2.98Å; L703-K705 VanDerWaalsContact C-N 3.27Å; L703-K705 PolarHBondContact O-N 3.47Å |
| 704 | Y | 89.6 | Confident | 90.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -83.9 | 6.2 | -175.5 | -59.2 | -64.5 | 0 | 0 | 0 | 114.2 | L656 L695 Q698 S699 G702 C706 L707 R712 L715 | L656-Y704 HydrophobicContact CB-CE1 4.29Å; L656-Y704 WeakPolarHBondContact O-CE1 3.4Å; L656-Y704 PolarHBondContact O-OH 3.46Å; L695-Y704 HydrophobicContact CD1-CE2 3.78Å; L695-Y704 VanDerWaalsContact CD1-OH 3.22Å; L695-Y704 WeakPolarHBondContact CD1-OH 3.3Å; Q698-Y704 HydrophobicContact CB-CE2 3.68Å; Q698-Y704 PolarHBondContact OE1-OH 3Å; S699-Y704 WeakPolarHBondContact OG-CD2 3.45Å; G702-Y704 PolarHBondContact O-N 3.27Å; Y704-C706 PolarHBondContact O-N 3.36Å; Y704-L707 HydrophobicContact CD1-CD1 3.69Å; Y704-L707 HydrophobicContact CD1-CG 4.29Å; Y704-L707 HydrophobicContact CG-CD1 4.23Å; Y704-L707 PolarHBondContact O-N 3Å; Y704-R712 VanDerWaalsContact O-CD 3.25Å; Y704-R712 WeakPolarHBondContact O-CD 3.41Å; Y704-R712 WeakPolarHBondContact O-CG 3.49Å; Y704-L715 HydrophobicContact CD1-CD2 4.02Å; Y704-L715 HydrophobicContact CD2-CD2 3.79Å; Y704-L715 HydrophobicContact CE1-CD2 4.41Å; Y704-L715 HydrophobicContact CE2-CD2 4.26Å; Y704-L715 HydrophobicContact CG-CD2 3.69Å |
| 705 | K | 85.3 | Confident | 90.5 | Very high | 92 Ų | 92 | 49 Ų | 49 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -60.6 | -25.5 | 175.3 | -74.7 | -171.5 | 179 | -163.8 | 0 | 112.7 | G702 L703 R712 D754 | G702-K705 WeakPolarHBondContact O-CB 3.5Å; G702-K705 WeakPolarHBondContact O-CG 3.44Å; G702-K705 PolarHBondContact O-N 3.28Å; G702-K705 VanDerWaalsContact O-N 3.16Å; L703-K705 VanDerWaalsContact C-N 3.27Å; L703-K705 PolarHBondContact O-N 3.47Å; K705-R712 PolarHBondContact O-NH1 3.1Å; K705-D754 IonicContact NZ-OD2 3.21Å; K705-D754 PolarHBondContact NZ-OD2 3.46Å |
| 706 | C | 83.5 | Confident | 90.6 | Very high | 125 Ų | 125 | 49.1 Ų | 49.1 | 85% | 0.845 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -80.6 | -11.5 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | Y704 | Y704-C706 PolarHBondContact O-N 3.36Š|
| 707 | L | 86.3 | Confident | 90.6 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -69.9 | 150.2 | 177 | -70.4 | -179.8 | 0 | 0 | 0 | 111.2 | A666 Y704 I711 R712 L715 | A666-L707 HydrophobicContact CB-CD2 4.32Å; Y704-L707 HydrophobicContact CD1-CD1 3.69Å; Y704-L707 HydrophobicContact CD1-CG 4.29Å; Y704-L707 HydrophobicContact CG-CD1 4.23Å; Y704-L707 PolarHBondContact O-N 3Å; L707-I711 HydrophobicContact CD1-CG2 4.22Å; L707-R712 HydrophobicContact CB-CB 4.07Å; L707-L715 HydrophobicContact CD1-CD2 4.35Å |
| 708 | P | 87.2 | Confident | 90.6 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 47% | 0.468 | 23% | 0.232 | S | C | . | . | trans | -50.3 | 143.4 | 168.3 | -27.1 | 35 | 0 | 0 | 0 | 111.9 | D710 I711 R712 | P708-D710 VanDerWaalsContact C-N 3.31Å; P708-D710 PolarHBondContact O-N 3.07Å; P708-I711 HydrophobicContact CB-CD1 4.08Å; P708-I711 HydrophobicContact CB-CG1 4.31Å; P708-I711 HydrophobicContact CG-CD1 3.9Å; P708-I711 PolarHBondContact O-N 2.93Å; P708-I711 VanDerWaalsContact O-N 3.15Å; P708-R712 WeakPolarHBondContact O-CB 3.32Å; P708-R712 PolarHBondContact O-N 2.85Å | ||
| 709 | D | 87.5 | Confident | 90.8 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 43% | 0.428 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.7 | -41.5 | -168.4 | -73.6 | -16 | 0 | 0 | 0 | 112.5 | I711 R712 N713 | D709-I711 PolarHBondContact O-N 3.28Å; D709-R712 PolarHBondContact O-N 2.94Å; D709-R712 IonicContact OD1-CZ 2.97Å; D709-R712 IonicContact OD1-NH1 3.47Å; D709-R712 PolarHBondContact OD1-NH1 2.83Å; D709-R712 IonicContact OD1-NH2 3.25Å; D709-R712 PolarHBondContact OD1-NH2 3.17Å; D709-N713 VanDerWaalsContact O-CB 3.23Å; D709-N713 WeakPolarHBondContact O-CB 3.4Å; D709-N713 PolarHBondContact O-N 2.75Å; D709-N713 PolarHBondContact O-ND2 2.92Å; D709-N713 PolarHBondContact O-OD1 3.35Å |
| 710 | D | 85.9 | Confident | 90.9 | Very high | 133 Ų | 133 | 39.4 Ų | 39.4 | 71% | 0.711 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.3 | -43.8 | 179.8 | -61 | -32.2 | 0 | 0 | 0 | 112.5 | P708 A714 | P708-D710 VanDerWaalsContact C-N 3.31Å; P708-D710 PolarHBondContact O-N 3.07Å; D710-A714 VanDerWaalsContact O-CB 3.31Å; D710-A714 WeakPolarHBondContact O-CB 3.46Å; D710-A714 PolarHBondContact O-N 3.29Å |
| 711 | I | 89.3 | Confident | 90.8 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -46.6 | 178.9 | -56.2 | 175.2 | 0 | 0 | 0 | 109.7 | Q667 V670 L707 P708 D709 N713 A714 L715 | Q667-I711 HydrophobicContact CB-CD1 3.65Å; Q667-I711 HydrophobicContact CB-CG1 3.79Å; Q667-I711 HydrophobicContact CB-CG2 4.49Å; Q667-I711 HydrophobicContact CG-CD1 4.45Å; Q667-I711 HydrophobicContact CG-CG1 4.13Å; V670-I711 HydrophobicContact CB-CG2 4.3Å; V670-I711 HydrophobicContact CG2-CG2 3.77Å; L707-I711 HydrophobicContact CD1-CG2 4.22Å; P708-I711 HydrophobicContact CB-CD1 4.08Å; P708-I711 HydrophobicContact CB-CG1 4.31Å; P708-I711 HydrophobicContact CG-CD1 3.9Å; P708-I711 PolarHBondContact O-N 2.93Å; P708-I711 VanDerWaalsContact O-N 3.15Å; D709-I711 PolarHBondContact O-N 3.28Å; I711-N713 PolarHBondContact O-N 3.43Å; I711-A714 PolarHBondContact O-N 3.2Å; I711-L715 WeakPolarHBondContact O-CB 3.47Å; I711-L715 PolarHBondContact O-N 3.45Å |
| 712 | R | 90.9 | Very high | 91 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 179.5 | -171.9 | -178.7 | 69.6 | -132.2 | -6.2 | 111.1 | Y704 K705 L707 P708 D709 L715 Y716 | Y704-R712 VanDerWaalsContact O-CD 3.25Å; Y704-R712 WeakPolarHBondContact O-CD 3.41Å; Y704-R712 WeakPolarHBondContact O-CG 3.49Å; K705-R712 PolarHBondContact O-NH1 3.1Å; L707-R712 HydrophobicContact CB-CB 4.07Å; P708-R712 WeakPolarHBondContact O-CB 3.32Å; P708-R712 PolarHBondContact O-N 2.85Å; D709-R712 PolarHBondContact O-N 2.94Å; D709-R712 IonicContact OD1-CZ 2.97Å; D709-R712 IonicContact OD1-NH1 3.47Å; D709-R712 PolarHBondContact OD1-NH1 2.83Å; D709-R712 IonicContact OD1-NH2 3.25Å; D709-R712 PolarHBondContact OD1-NH2 3.17Å; R712-L715 PolarHBondContact O-N 3.49Å; R712-Y716 HydrophobicContact CG-CD2 3.92Å; R712-Y716 HydrophobicContact CG-CE1 4.49Å; R712-Y716 HydrophobicContact CG-CE2 3.4Å; R712-Y716 VanDerWaalsContact CG-CE2 3.4Å; R712-Y716 PolarHBondContact O-N 3.18Å |
| 713 | N | 92.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 32 Ų | 32 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 179.8 | -67.1 | -11.6 | 0 | 0 | 0 | 110.7 | D709 I711 L715 Y716 V717 L780 | D709-N713 VanDerWaalsContact O-CB 3.23Å; D709-N713 WeakPolarHBondContact O-CB 3.4Å; D709-N713 PolarHBondContact O-N 2.75Å; D709-N713 PolarHBondContact O-ND2 2.92Å; D709-N713 PolarHBondContact O-OD1 3.35Å; I711-N713 PolarHBondContact O-N 3.43Å; N713-L715 VanDerWaalsContact C-N 3.33Å; N713-L715 PolarHBondContact O-N 2.95Å; N713-Y716 PolarHBondContact O-N 3.42Å; N713-V717 WeakPolarHBondContact O-CB 3.42Å; N713-V717 WeakPolarHBondContact O-CG2 3.45Å; N713-V717 PolarHBondContact O-N 3.32Å; N713-L780 HydrophobicContact CB-CD1 4.29Å |
| 714 | A | 92.2 | Very high | 91.4 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V670 D710 I711 S718 | V670-A714 HydrophobicContact CG1-CB 3.67Å; D710-A714 VanDerWaalsContact O-CB 3.31Å; D710-A714 WeakPolarHBondContact O-CB 3.46Å; D710-A714 PolarHBondContact O-N 3.29Å; I711-A714 PolarHBondContact O-N 3.2Å; A714-S718 WeakPolarHBondContact O-CB 3.37Å; A714-S718 PolarHBondContact O-N 3.22Å; A714-S718 PolarHBondContact O-OG 3.48Å |
| 715 | L | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -54.6 | 175.6 | 174 | 61.6 | 0 | 0 | 0 | 111.1 | L656 V670 L673 L695 Y704 L707 I711 R712 N713 V717 S718 L719 | L656-L715 HydrophobicContact CD1-CD1 4.14Å; V670-L715 HydrophobicContact CG1-CB 4.06Å; V670-L715 HydrophobicContact CG2-CB 3.95Å; V670-L715 HydrophobicContact CG2-CD1 4.33Å; L673-L715 HydrophobicContact CD2-CD1 3.59Å; L695-L715 HydrophobicContact CD1-CD1 4.44Å; L695-L715 HydrophobicContact CD2-CD1 4.35Å; Y704-L715 HydrophobicContact CD1-CD2 4.02Å; Y704-L715 HydrophobicContact CD2-CD2 3.79Å; Y704-L715 HydrophobicContact CE1-CD2 4.41Å; Y704-L715 HydrophobicContact CE2-CD2 4.26Å; Y704-L715 HydrophobicContact CG-CD2 3.69Å; L707-L715 HydrophobicContact CD1-CD2 4.35Å; I711-L715 WeakPolarHBondContact O-CB 3.47Å; I711-L715 PolarHBondContact O-N 3.45Å; R712-L715 PolarHBondContact O-N 3.49Å; N713-L715 VanDerWaalsContact C-N 3.33Å; N713-L715 PolarHBondContact O-N 2.95Å; L715-V717 PolarHBondContact O-N 3.09Å; L715-S718 PolarHBondContact O-N 2.78Å; L715-S718 VanDerWaalsContact O-N 3.16Å; L715-L719 HydrophobicContact CD1-CD1 3.9Å; L715-L719 HydrophobicContact CD1-CG 4.18Å; L715-L719 HydrophobicContact CG-CD1 4.15Å; L715-L719 WeakPolarHBondContact O-CG 3.26Å; L715-L719 PolarHBondContact O-N 2.92Å |
| 716 | Y | 95.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | -177.4 | -67.2 | -20.7 | 0 | 0 | 0 | 112.5 | R712 N713 S718 L719 A720 I751 L780 | R712-Y716 HydrophobicContact CG-CD2 3.92Å; R712-Y716 HydrophobicContact CG-CE1 4.49Å; R712-Y716 HydrophobicContact CG-CE2 3.4Å; R712-Y716 VanDerWaalsContact CG-CE2 3.4Å; R712-Y716 PolarHBondContact O-N 3.18Å; N713-Y716 PolarHBondContact O-N 3.42Å; Y716-S718 VanDerWaalsContact C-N 3.31Å; Y716-S718 PolarHBondContact O-N 3.31Å; Y716-L719 PolarHBondContact O-N 3.41Å; Y716-A720 WeakPolarHBondContact O-CB 3.44Å; Y716-A720 PolarHBondContact O-N 3.42Å; Y716-I751 HydrophobicContact CD1-CG2 4.05Å; Y716-I751 HydrophobicContact CD2-CB 4.08Å; Y716-I751 HydrophobicContact CD2-CD1 4.3Å; Y716-I751 HydrophobicContact CD2-CG2 3.97Å; Y716-I751 HydrophobicContact CE1-CG2 3.99Å; Y716-I751 HydrophobicContact CE2-CB 4.06Å; Y716-I751 HydrophobicContact CE2-CG2 3.87Å; Y716-I751 HydrophobicContact CG-CD1 4.25Å; Y716-I751 HydrophobicContact CG-CG2 4.06Å; Y716-L780 HydrophobicContact CD2-CD1 4.22Å; Y716-L780 HydrophobicContact CD2-CD2 3.88Å |
| 717 | V | 95.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 175 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | N713 L715 N721 L780 A783 L784 | N713-V717 WeakPolarHBondContact O-CB 3.42Å; N713-V717 WeakPolarHBondContact O-CG2 3.45Å; N713-V717 PolarHBondContact O-N 3.32Å; L715-V717 PolarHBondContact O-N 3.09Å; V717-N721 WeakPolarHBondContact CG1-ND2 3.49Å; V717-N721 WeakPolarHBondContact O-CB 3.44Å; V717-N721 PolarHBondContact O-N 3.31Å; V717-N721 PolarHBondContact O-ND2 3.26Å; V717-L780 HydrophobicContact CG2-CD1 4.23Å; V717-A783 HydrophobicContact CG2-CB 3.71Å; V717-L784 HydrophobicContact CB-CD2 4.46Å; V717-L784 HydrophobicContact CG2-CD2 4Å; V717-L784 HydrophobicContact CG2-CG 4.08Å |
| 718 | S | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 179.6 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | R674 A714 L715 Y716 Y722 | R674-S718 VanDerWaalsContact CB-OG 3.24Å; R674-S718 WeakPolarHBondContact CB-OG 3.49Å; R674-S718 VanDerWaalsContact CG-OG 3.29Å; R674-S718 WeakPolarHBondContact CG-OG 3.4Å; A714-S718 WeakPolarHBondContact O-CB 3.37Å; A714-S718 PolarHBondContact O-N 3.22Å; A714-S718 PolarHBondContact O-OG 3.48Å; L715-S718 PolarHBondContact O-N 2.78Å; L715-S718 VanDerWaalsContact O-N 3.16Å; Y716-S718 VanDerWaalsContact C-N 3.31Å; Y716-S718 PolarHBondContact O-N 3.31Å; S718-Y722 WeakPolarHBondContact O-CB 3.43Å; S718-Y722 PolarHBondContact O-N 2.96Å; S718-Y722 VanDerWaalsContact O-N 3.15Å |
| 719 | L | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.5 | -47.7 | 177.1 | -68.2 | 175.8 | 0 | 0 | 0 | 111.7 | L673 L677 L695 Y696 S699 L715 Y716 N721 Y722 L723 L747 | L673-L719 HydrophobicContact CD2-CD2 4.32Å; L677-L719 HydrophobicContact CD1-CD2 4.18Å; L695-L719 HydrophobicContact CD2-CD1 4.45Å; L695-L719 HydrophobicContact CD2-CD2 3.84Å; L695-L719 HydrophobicContact CG-CD1 4.23Å; L695-L719 HydrophobicContact CG-CD2 4.33Å; Y696-L719 HydrophobicContact CD1-CB 4.5Å; Y696-L719 HydrophobicContact CE1-CB 3.8Å; Y696-L719 HydrophobicContact CE1-CD2 4.03Å; Y696-L719 HydrophobicContact CE1-CG 4.38Å; Y696-L719 HydrophobicContact CE2-CD2 4.27Å; Y696-L719 PolarHBondContact OH-O 3.01Å; S699-L719 WeakPolarHBondContact OG-CD1 3.08Å; L715-L719 HydrophobicContact CD1-CD1 3.9Å; L715-L719 HydrophobicContact CD1-CG 4.18Å; L715-L719 HydrophobicContact CG-CD1 4.15Å; L715-L719 WeakPolarHBondContact O-CG 3.26Å; L715-L719 PolarHBondContact O-N 2.92Å; Y716-L719 PolarHBondContact O-N 3.41Å; L719-N721 PolarHBondContact O-N 3.23Å; L719-Y722 PolarHBondContact O-N 3.16Å; L719-L723 PolarHBondContact O-N 2.84Å; L719-L747 HydrophobicContact CB-CD2 3.96Å |
| 720 | A | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y716 Y722 L723 I724 Y744 L747 I748 L784 | Y716-A720 WeakPolarHBondContact O-CB 3.44Å; Y716-A720 PolarHBondContact O-N 3.42Å; A720-Y722 PolarHBondContact O-N 2.9Å; A720-L723 PolarHBondContact O-N 3.49Å; A720-L723 VanDerWaalsContact O-N 3.16Å; A720-I724 PolarHBondContact O-N 2.96Å; A720-Y744 HydrophobicContact CB-CD2 4.31Å; A720-Y744 HydrophobicContact CB-CE2 3.97Å; A720-L747 HydrophobicContact CB-CD2 4.31Å; A720-I748 HydrophobicContact CB-CD1 4.11Å; A720-L784 HydrophobicContact CB-CD2 3.46Å; A720-L784 VanDerWaalsContact CB-CD2 3.46Å |
| 721 | N | 94.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | -177.5 | -75.5 | -3.8 | 0 | 0 | 0 | 112.7 | L678 V717 L719 L723 I724 L725 S787 | L678-N721 HydrophobicContact CD1-CB 4.27Å; L678-N721 HydrophobicContact CD2-CB 3.59Å; V717-N721 WeakPolarHBondContact CG1-ND2 3.49Å; V717-N721 WeakPolarHBondContact O-CB 3.44Å; V717-N721 PolarHBondContact O-N 3.31Å; V717-N721 PolarHBondContact O-ND2 3.26Å; L719-N721 PolarHBondContact O-N 3.23Å; N721-L723 PolarHBondContact O-N 3.07Å; N721-L723 VanDerWaalsContact O-N 3.15Å; N721-I724 PolarHBondContact O-N 3.21Å; N721-I724 VanDerWaalsContact O-N 3.11Å; N721-L725 HydrophobicContact CB-CD1 3.79Å; N721-L725 HydrophobicContact CB-CG 4.24Å; N721-L725 VanDerWaalsContact O-CB 3.23Å; N721-L725 WeakPolarHBondContact O-CB 3.49Å; N721-L725 WeakPolarHBondContact O-CG 3.28Å; N721-L725 PolarHBondContact O-N 3.44Å; N721-S787 WeakPolarHBondContact ND2-CB 3.5Å; N721-S787 PolarHBondContact ND2-OG 2.91Å; N721-S787 PolarHBondContact OD1-OG 3.45Å; N721-S787 VanDerWaalsContact OD1-OG 3.1Å |
| 722 | Y | 94.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -28.8 | 176.3 | -178.7 | -101.5 | 0 | 0 | 0 | 112.6 | L677 P682 V686 L687 S718 L719 A720 W727 R740 | L677-Y722 HydrophobicContact CB-CD2 3.99Å; L677-Y722 HydrophobicContact CB-CG 4.23Å; L677-Y722 HydrophobicContact CD1-CG 4.41Å; L677-Y722 HydrophobicContact CD2-CD1 4.46Å; L677-Y722 HydrophobicContact CD2-CD2 3.95Å; L677-Y722 HydrophobicContact CD2-CE2 4.17Å; L677-Y722 HydrophobicContact CD2-CG 4.08Å; L677-Y722 HydrophobicContact CG-CD2 4.47Å; L677-Y722 HydrophobicContact CG-CG 4.48Å; L677-Y722 WeakPolarHBondContact O-CD2 3.37Å; P682-Y722 PolarHBondContact O-OH 3.33Å; V686-Y722 WeakPolarHBondContact CB-OH 3.05Å; V686-Y722 HydrophobicContact CG1-CE1 4.14Å; L687-Y722 HydrophobicContact CD2-CD1 4.27Å; L687-Y722 HydrophobicContact CD2-CE1 3.76Å; L687-Y722 HydrophobicContact CG-CE1 3.95Å; S718-Y722 WeakPolarHBondContact O-CB 3.43Å; S718-Y722 PolarHBondContact O-N 2.96Å; S718-Y722 VanDerWaalsContact O-N 3.15Å; L719-Y722 PolarHBondContact O-N 3.16Å; A720-Y722 PolarHBondContact O-N 2.9Å; Y722-W727 HydrophobicContact CE1-CZ2 4.18Å; Y722-W727 AromaticContact CE1-NE1 3.98Å; Y722-W727 AromaticContact CE2-NE1 3.42Å; Y722-W727 AromaticContact CZ-CE2 3.92Å; Y722-W727 AromaticContact CZ-CZ2 3.99Å; Y722-W727 AromaticContact CZ-NE1 3.37Å; Y722-R740 PolarHBondContact O-NH2 3.33Å |
| 723 | L | 93.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.4 | -25 | 178.1 | -64.2 | 174 | 0 | 0 | 0 | 114.1 | L687 Y696 L719 A720 N721 R740 V743 Y744 | L687-L723 HydrophobicContact CD2-CD2 4.12Å; Y696-L723 HydrophobicContact CD1-CD1 4.36Å; Y696-L723 HydrophobicContact CE1-CD1 3.55Å; Y696-L723 HydrophobicContact CE1-CD2 4.3Å; Y696-L723 HydrophobicContact CE1-CG 3.98Å; Y696-L723 WeakPolarHBondContact OH-CG 3.32Å; L719-L723 PolarHBondContact O-N 2.84Å; A720-L723 PolarHBondContact O-N 3.49Å; A720-L723 VanDerWaalsContact O-N 3.16Å; N721-L723 PolarHBondContact O-N 3.07Å; N721-L723 VanDerWaalsContact O-N 3.15Å; L723-R740 VanDerWaalsContact C-NH2 3.32Å; L723-R740 HydrophobicContact CD2-CB 4.29Å; L723-R740 HydrophobicContact CD2-CG 4.37Å; L723-R740 PolarHBondContact O-NE 3.48Å; L723-R740 PolarHBondContact O-NH2 3.43Å; L723-R740 VanDerWaalsContact O-NH2 3.16Å; L723-V743 HydrophobicContact CD1-CB 4.09Å; L723-V743 HydrophobicContact CD1-CG1 3.79Å; L723-V743 HydrophobicContact CD2-CB 4.44Å; L723-V743 HydrophobicContact CD2-CG1 4.38Å; L723-Y744 HydrophobicContact CB-CD2 4.31Å |
| 724 | I | 92 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -110.8 | -18.2 | -174.4 | 63.3 | 175 | 0 | 0 | 0 | 114.3 | A720 N721 W737 Y744 I788 T795 T798 C799 | A720-I724 PolarHBondContact O-N 2.96Å; N721-I724 PolarHBondContact O-N 3.21Å; N721-I724 VanDerWaalsContact O-N 3.11Å; I724-W737 WeakPolarHBondContact O-CH2 3.37Å; I724-W737 WeakPolarHBondContact O-CZ3 3.31Å; I724-Y744 HydrophobicContact CD1-CE2 3.96Å; I724-Y744 HydrophobicContact CG1-CE2 4.41Å; I724-Y744 HydrophobicContact CG2-CD1 3.82Å; I724-Y744 HydrophobicContact CG2-CD2 3.39Å; I724-Y744 HydrophobicContact CG2-CE1 3.95Å; I724-Y744 HydrophobicContact CG2-CE2 3.51Å; I724-Y744 HydrophobicContact CG2-CG 3.54Å; I724-I788 HydrophobicContact CD1-CD1 4.43Å; I724-I788 HydrophobicContact CD1-CG2 3.81Å; I724-T795 HydrophobicContact CB-CG2 4.38Å; I724-T795 HydrophobicContact CD1-CG2 4.25Å; I724-T795 HydrophobicContact CG1-CG2 4.15Å; I724-T795 WeakPolarHBondContact O-CG2 3.38Å; I724-T798 HydrophobicContact CG2-CG2 3.89Å; I724-C799 HydrophobicContact CD1-CB 4.38Å |
| 725 | L | 91.2 | Very high | 89.5 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -80.9 | 139.3 | 178.3 | -69.5 | 176.6 | 0 | 0 | 0 | 111.3 | L678 N721 W727 R740 I788 E791 T795 | L678-L725 HydrophobicContact CD2-CD1 4.1Å; N721-L725 HydrophobicContact CB-CD1 3.79Å; N721-L725 HydrophobicContact CB-CG 4.24Å; N721-L725 VanDerWaalsContact O-CB 3.23Å; N721-L725 WeakPolarHBondContact O-CB 3.49Å; N721-L725 WeakPolarHBondContact O-CG 3.28Å; N721-L725 PolarHBondContact O-N 3.44Å; L725-W727 PolarHBondContact O-N 2.67Å; L725-R740 PolarHBondContact O-NH2 3.24Å; L725-I788 HydrophobicContact CD2-CG2 4.38Å; L725-E791 HydrophobicContact CD2-CB 4.44Å; L725-E791 HydrophobicContact CD2-CG 3.57Å; L725-E791 WeakPolarHBondContact CD2-OE1 3.48Å; L725-T795 HydrophobicContact CD2-CG2 3.97Å |
| 726 | P | 87.9 | Confident | 89.2 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 135.4 | 176.6 | 27.1 | -33.7 | 0 | 0 | 0 | 110.4 | R681 W737 | R681-P726 WeakPolarHBondContact CD-O 3.42Å; R681-P726 PolarHBondContact NH1-O 3.25Å; P726-W737 HydrophobicContact CB-CH2 4.47Å; P726-W737 HydrophobicContact CB-CZ2 4.32Å |
| 727 | W | 87.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 143.5 | 171 | -63.4 | -30.9 | 0 | 0 | 0 | 110.6 | H683 L687 Y722 L725 A730 E734 Q735 E736 R740 | H683-W727 HydrophobicContact CB-CB 3.79Å; H683-W727 HydrophobicContact CB-CD2 3.27Å; H683-W727 HydrophobicContact CB-CE3 3.19Å; H683-W727 HydrophobicContact CB-CG 3.59Å; H683-W727 HydrophobicContact CB-CH2 4.27Å; H683-W727 HydrophobicContact CB-CZ2 4.39Å; H683-W727 HydrophobicContact CB-CZ3 3.72Å; L687-W727 HydrophobicContact CD1-CH2 4.01Å; L687-W727 HydrophobicContact CD1-CZ2 3.85Å; L687-W727 HydrophobicContact CG-CZ2 4.44Å; Y722-W727 HydrophobicContact CE1-CZ2 4.18Å; Y722-W727 AromaticContact CE1-NE1 3.98Å; Y722-W727 AromaticContact CE2-NE1 3.42Å; Y722-W727 AromaticContact CZ-CE2 3.92Å; Y722-W727 AromaticContact CZ-CZ2 3.99Å; Y722-W727 AromaticContact CZ-NE1 3.37Å; L725-W727 PolarHBondContact O-N 2.67Å; W727-A730 HydrophobicContact CB-CB 4.12Å; W727-E734 WeakPolarHBondContact CZ3-O 3.26Å; W727-Q735 PolarHBondContact O-NE2 3.15Å; W727-E736 HydrophobicContact CH2-CB 4.25Å; W727-E736 HydrophobicContact CH2-CG 4.47Å; W727-E736 HydrophobicContact CZ3-CB 4.09Å; W727-E736 HydrophobicContact CZ3-CG 4.07Å; W727-R740 HydrophobicContact CZ2-CG 4.47Å |
| 728 | Y | 82.9 | Confident | 88.3 | Confident | 99 Ų | 99 | 43 Ų | 43 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 141.7 | 176.9 | -61 | -56.6 | 0 | 0 | 0 | 110.7 | T679 R681 H683 A730 | T679-Y728 WeakPolarHBondContact O-CE2 3.19Å; R681-Y728 HydrophobicContact CB-CD2 3.73Å; R681-Y728 HydrophobicContact CB-CE2 3.89Å; R681-Y728 VanDerWaalsContact CD-CE2 3.48Å; R681-Y728 HydrophobicContact CG-CD2 4Å; R681-Y728 HydrophobicContact CG-CE2 3.61Å; R681-Y728 PolarHBondContact NE-OH 3.09Å; H683-Y728 PolarHBondContact ND1-O 3.06Å; Y728-A730 PolarHBondContact O-N 2.89Å |
| 729 | N | 81.6 | Confident | 87.9 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 2.8 | 178.9 | -57.5 | -32.7 | 0 | 0 | 0 | 116.8 | A629 Q633 | A629-N729 WeakPolarHBondContact CA-ND2 3.4Å; A629-N729 PolarHBondContact O-ND2 3.45Å; A629-N729 VanDerWaalsContact O-ND2 3.15Å; Q633-N729 PolarHBondContact NE2-OD1 3.45Å |
| 730 | A | 83.9 | Confident | 87.6 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | trans | -95.6 | 135.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | W727 Y728 E734 Q735 | W727-A730 HydrophobicContact CB-CB 4.12Å; Y728-A730 PolarHBondContact O-N 2.89Å; A730-E734 WeakPolarHBondContact CA-OE2 3.31Å; A730-E734 HydrophobicContact CB-CB 3.85Å; A730-Q735 HydrophobicContact CB-CG 4.27Å; A730-Q735 PolarHBondContact O-NE2 2.98Å | ||
| 731 | V | 81.2 | Confident | 87.3 | Confident | 117 Ų | 117 | 52.2 Ų | 52.2 | 71% | 0.709 | 28% | 0.275 | S | S | * | . | trans | -128.3 | 141.7 | -180 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | E733 E734 | V731-E733 PolarHBondContact O-N 3.32Å; V731-E734 PolarHBondContact N-OE2 3.24Å; V731-E734 PolarHBondContact O-N 2.88Å | ||
| 732 | G | 81.8 | Confident | 87.2 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | 63.9 | -119.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E734 Q735 | G732-E734 VanDerWaalsContact C-N 3.29Å; G732-E734 PolarHBondContact O-N 3.49Å; G732-Q735 WeakPolarHBondContact O-CB 3.49Å; G732-Q735 PolarHBondContact O-N 2.95Å |
| 733 | E | 82.1 | Confident | 87.2 | Confident | 167 Ų | 167 | 57.5 Ų | 57.5 | 78% | 0.78 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -66.5 | -27.2 | -179.2 | -68 | -64.8 | 149.3 | 0 | 0 | 113 | V731 Q735 E736 | V731-E733 PolarHBondContact O-N 3.32Å; E733-Q735 PolarHBondContact O-N 3.25Å; E733-Q735 VanDerWaalsContact O-N 3.11Å; E733-E736 PolarHBondContact O-N 3.19Å |
| 734 | E | 83.7 | Confident | 87.2 | Confident | 112 Ų | 112 | 57.5 Ų | 57.5 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -63.6 | -18.3 | 178.4 | -64.1 | 175.4 | 164.9 | 0 | 0 | 113 | W727 A730 V731 G732 E736 | W727-E734 WeakPolarHBondContact CZ3-O 3.26Å; A730-E734 WeakPolarHBondContact CA-OE2 3.31Å; A730-E734 HydrophobicContact CB-CB 3.85Å; V731-E734 PolarHBondContact N-OE2 3.24Å; V731-E734 PolarHBondContact O-N 2.88Å; G732-E734 VanDerWaalsContact C-N 3.29Å; G732-E734 PolarHBondContact O-N 3.49Å; E734-E736 PolarHBondContact O-N 3.5Å |
| 735 | Q | 87.1 | Confident | 87.2 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -75 | -12.9 | 174 | -70.4 | -73.5 | -15.3 | 0 | 0 | 112.8 | W727 A730 G732 E733 W737 R740 | W727-Q735 PolarHBondContact O-NE2 3.15Å; A730-Q735 HydrophobicContact CB-CG 4.27Å; A730-Q735 PolarHBondContact O-NE2 2.98Å; G732-Q735 WeakPolarHBondContact O-CB 3.49Å; G732-Q735 PolarHBondContact O-N 2.95Å; E733-Q735 PolarHBondContact O-N 3.25Å; E733-Q735 VanDerWaalsContact O-N 3.11Å; Q735-W737 HydrophobicContact CB-CD2 4.07Å; Q735-W737 HydrophobicContact CB-CG 4.12Å; Q735-W737 HydrophobicContact CB-CZ2 4.02Å; Q735-W737 HydrophobicContact CG-CZ2 4.16Å; Q735-W737 PolarHBondContact O-N 3.34Å; Q735-W737 VanDerWaalsContact O-N 3.09Å; Q735-R740 WeakPolarHBondContact O-CD 3.23Å; Q735-R740 PolarHBondContact O-NH1 3.09Å |
| 736 | E | 87.7 | Confident | 87.4 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | trans | 51.5 | 35.5 | 177 | -58.7 | -171.7 | 157.6 | 0 | 0 | 114.1 | W727 E733 E734 S738 Q739 R740 | W727-E736 HydrophobicContact CH2-CB 4.25Å; W727-E736 HydrophobicContact CH2-CG 4.47Å; W727-E736 HydrophobicContact CZ3-CB 4.09Å; W727-E736 HydrophobicContact CZ3-CG 4.07Å; E733-E736 PolarHBondContact O-N 3.19Å; E734-E736 PolarHBondContact O-N 3.5Å; E736-S738 PolarHBondContact O-N 2.98Å; E736-S738 VanDerWaalsContact O-N 3.08Å; E736-Q739 HydrophobicContact CB-CB 4.5Å; E736-Q739 PolarHBondContact O-N 2.97Å; E736-R740 WeakPolarHBondContact O-CG 3.26Å; E736-R740 PolarHBondContact O-N 3.26Å | ||
| 737 | W | 87.2 | Confident | 87.7 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.4 | -32.8 | -177.7 | -65.3 | 120.5 | 0 | 0 | 0 | 112.9 | I724 P726 Q735 Q739 R740 K741 V794 | I724-W737 WeakPolarHBondContact O-CH2 3.37Å; I724-W737 WeakPolarHBondContact O-CZ3 3.31Å; P726-W737 HydrophobicContact CB-CH2 4.47Å; P726-W737 HydrophobicContact CB-CZ2 4.32Å; Q735-W737 HydrophobicContact CB-CD2 4.07Å; Q735-W737 HydrophobicContact CB-CG 4.12Å; Q735-W737 HydrophobicContact CB-CZ2 4.02Å; Q735-W737 HydrophobicContact CG-CZ2 4.16Å; Q735-W737 PolarHBondContact O-N 3.34Å; Q735-W737 VanDerWaalsContact O-N 3.09Å; W737-Q739 VanDerWaalsContact C-N 3.31Å; W737-Q739 PolarHBondContact O-N 2.97Å; W737-R740 PolarHBondContact O-N 3.11Å; W737-K741 VanDerWaalsContact O-CB 3.32Å; W737-K741 WeakPolarHBondContact O-CB 3.18Å; W737-K741 WeakPolarHBondContact O-CG 3.46Å; W737-K741 PolarHBondContact O-N 2.96Å; W737-V794 HydrophobicContact CZ2-CG1 4.33Å |
| 738 | S | 86.4 | Confident | 88.1 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 62% | 0.615 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64 | -32.5 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | E736 P742 | E736-S738 PolarHBondContact O-N 2.98Å; E736-S738 VanDerWaalsContact O-N 3.08Å; S738-P742 WeakPolarHBondContact O-CD 3.42Å; S738-P742 WeakPolarHBondContact O-CG 3.46Å |
| 739 | Q | 87 | Confident | 88.5 | Confident | 117 Ų | 117 | 64.3 Ų | 64.3 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -87 | -35.9 | 177.9 | -58.6 | -175.5 | 34 | 0 | 0 | 111.8 | E736 W737 P742 V743 | E736-Q739 HydrophobicContact CB-CB 4.5Å; E736-Q739 PolarHBondContact O-N 2.97Å; W737-Q739 VanDerWaalsContact C-N 3.31Å; W737-Q739 PolarHBondContact O-N 2.97Å; Q739-P742 WeakPolarHBondContact O-CD 3.3Å; Q739-V743 WeakPolarHBondContact O-CG2 3.45Å |
| 740 | R | 90.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77.3 | -38.7 | -174.2 | -66.5 | 163.9 | 65.2 | -173.5 | 2.6 | 113.4 | L687 Y722 L723 L725 W727 Q735 E736 W737 V743 Y744 | L687-R740 HydrophobicContact CD1-CG 3.79Å; Y722-R740 PolarHBondContact O-NH2 3.33Å; L723-R740 VanDerWaalsContact C-NH2 3.32Å; L723-R740 HydrophobicContact CD2-CB 4.29Å; L723-R740 HydrophobicContact CD2-CG 4.37Å; L723-R740 PolarHBondContact O-NE 3.48Å; L723-R740 PolarHBondContact O-NH2 3.43Å; L723-R740 VanDerWaalsContact O-NH2 3.16Å; L725-R740 PolarHBondContact O-NH2 3.24Å; W727-R740 HydrophobicContact CZ2-CG 4.47Å; Q735-R740 WeakPolarHBondContact O-CD 3.23Å; Q735-R740 PolarHBondContact O-NH1 3.09Å; E736-R740 WeakPolarHBondContact O-CG 3.26Å; E736-R740 PolarHBondContact O-N 3.26Å; W737-R740 PolarHBondContact O-N 3.11Å; R740-V743 PolarHBondContact O-N 3.39Å; R740-Y744 PolarHBondContact O-N 3.3Å |
| 741 | K | 89.5 | Confident | 89.6 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | -177.8 | -75.7 | -177.8 | 178.7 | -163.9 | 0 | 113.7 | W737 V743 Y744 E745 T798 | W737-K741 VanDerWaalsContact O-CB 3.32Å; W737-K741 WeakPolarHBondContact O-CB 3.18Å; W737-K741 WeakPolarHBondContact O-CG 3.46Å; W737-K741 PolarHBondContact O-N 2.96Å; K741-V743 VanDerWaalsContact C-N 3.31Å; K741-V743 PolarHBondContact O-N 3.08Å; K741-Y744 WeakPolarHBondContact O-CB 3.28Å; K741-Y744 PolarHBondContact O-N 2.78Å; K741-E745 WeakPolarHBondContact O-CB 3.26Å; K741-E745 PolarHBondContact O-N 2.94Å; K741-T798 HydrophobicContact CD-CG2 4.07Å; K741-T798 VanDerWaalsContact CE-OG1 3.27Å; K741-T798 WeakPolarHBondContact CE-OG1 3.5Å; K741-T798 HydrophobicContact CG-CG2 3.64Å |
| 742 | P | 92 | Very high | 90.1 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 177.3 | -24.4 | 34.4 | 0 | 0 | 0 | 113.1 | S738 Q739 E745 Q746 | S738-P742 WeakPolarHBondContact O-CD 3.42Å; S738-P742 WeakPolarHBondContact O-CG 3.46Å; Q739-P742 WeakPolarHBondContact O-CD 3.3Å; P742-E745 PolarHBondContact O-N 2.9Å; P742-Q746 WeakPolarHBondContact O-CB 3.19Å; P742-Q746 PolarHBondContact O-N 3.24Å |
| 743 | V | 93.3 | Very high | 90.6 | Very high | 48 Ų | 48 | 57 Ų | 57 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | Y696 L723 Q739 R740 K741 Q746 L747 | Y696-V743 HydrophobicContact CD1-CG1 4.06Å; Y696-V743 HydrophobicContact CE1-CG1 4.41Å; Y696-V743 HydrophobicContact CG-CG1 4.34Å; L723-V743 HydrophobicContact CD1-CB 4.09Å; L723-V743 HydrophobicContact CD1-CG1 3.79Å; L723-V743 HydrophobicContact CD2-CB 4.44Å; L723-V743 HydrophobicContact CD2-CG1 4.38Å; Q739-V743 WeakPolarHBondContact O-CG2 3.45Å; R740-V743 PolarHBondContact O-N 3.39Å; K741-V743 VanDerWaalsContact C-N 3.31Å; K741-V743 PolarHBondContact O-N 3.08Å; V743-Q746 PolarHBondContact O-N 3.36Å; V743-L747 WeakPolarHBondContact O-CB 3.46Å; V743-L747 PolarHBondContact O-N 3.27Å |
| 744 | Y | 93.9 | Very high | 91 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 176 | 174.3 | -101.5 | 0 | 0 | 0 | 111.1 | A720 L723 I724 R740 K741 Q746 L747 I748 V802 | A720-Y744 HydrophobicContact CB-CD2 4.31Å; A720-Y744 HydrophobicContact CB-CE2 3.97Å; L723-Y744 HydrophobicContact CB-CD2 4.31Å; I724-Y744 HydrophobicContact CD1-CE2 3.96Å; I724-Y744 HydrophobicContact CG1-CE2 4.41Å; I724-Y744 HydrophobicContact CG2-CD1 3.82Å; I724-Y744 HydrophobicContact CG2-CD2 3.39Å; I724-Y744 HydrophobicContact CG2-CE1 3.95Å; I724-Y744 HydrophobicContact CG2-CE2 3.51Å; I724-Y744 HydrophobicContact CG2-CG 3.54Å; R740-Y744 PolarHBondContact O-N 3.3Å; K741-Y744 WeakPolarHBondContact O-CB 3.28Å; K741-Y744 PolarHBondContact O-N 2.78Å; Y744-Q746 VanDerWaalsContact C-N 3.34Å; Y744-Q746 PolarHBondContact O-N 2.96Å; Y744-L747 PolarHBondContact O-N 3.1Å; Y744-I748 HydrophobicContact CD1-CG1 4.33Å; Y744-I748 HydrophobicContact CD2-CD1 4.49Å; Y744-I748 HydrophobicContact CD2-CG1 4.05Å; Y744-I748 HydrophobicContact CE1-CG1 3.95Å; Y744-I748 HydrophobicContact CE2-CD1 3.88Å; Y744-I748 HydrophobicContact CE2-CG1 3.66Å; Y744-I748 HydrophobicContact CG-CG1 4.37Å; Y744-I748 WeakPolarHBondContact O-CG1 3.38Å; Y744-I748 PolarHBondContact O-N 2.97Å; Y744-V802 HydrophobicContact CD1-CB 4.46Å; Y744-V802 HydrophobicContact CD1-CG2 3.71Å; Y744-V802 HydrophobicContact CE1-CB 3.96Å; Y744-V802 HydrophobicContact CE1-CG1 4.46Å; Y744-V802 HydrophobicContact CE1-CG2 3.68Å |
| 745 | E | 93.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 178 | -175.2 | 177.9 | -179.1 | 0 | 0 | 111.9 | K741 P742 R749 V802 | K741-E745 WeakPolarHBondContact O-CB 3.26Å; K741-E745 PolarHBondContact O-N 2.94Å; P742-E745 PolarHBondContact O-N 2.9Å; E745-R749 VanDerWaalsContact CD-NH1 3.27Å; E745-R749 VanDerWaalsContact CG-NH1 3.3Å; E745-R749 WeakPolarHBondContact O-CB 3.38Å; E745-R749 WeakPolarHBondContact O-CG 3.36Å; E745-R749 PolarHBondContact O-N 3.29Å; E745-R749 IonicContact OE1-CZ 3.02Å; E745-R749 IonicContact OE1-NH1 3.4Å; E745-R749 PolarHBondContact OE1-NH1 3.1Å; E745-R749 IonicContact OE1-NH2 3.86Å; E745-R749 PolarHBondContact OE1-NH2 3.46Å; E745-V802 HydrophobicContact CB-CG2 3.93Å; E745-V802 HydrophobicContact CG-CG2 4.06Å |
| 746 | Q | 94.3 | Very high | 91.5 | Very high | 112 Ų | 112 | 48.6 Ų | 48.6 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.5 | -172.1 | 178.3 | 10 | 0 | 0 | 112.2 | I700 P742 V743 Y744 S750 | I700-Q746 HydrophobicContact CD1-CB 4.42Å; I700-Q746 HydrophobicContact CD1-CG 3.9Å; I700-Q746 HydrophobicContact CG1-CG 4.33Å; I700-Q746 HydrophobicContact CG2-CG 4.14Å; P742-Q746 WeakPolarHBondContact O-CB 3.19Å; P742-Q746 PolarHBondContact O-N 3.24Å; V743-Q746 PolarHBondContact O-N 3.36Å; Y744-Q746 VanDerWaalsContact C-N 3.34Å; Y744-Q746 PolarHBondContact O-N 2.96Å; Q746-S750 WeakPolarHBondContact O-CB 3.47Å; Q746-S750 PolarHBondContact O-N 3.07Å |
| 747 | L | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -52.9 | 178.3 | 179.6 | 67 | 0 | 0 | 0 | 111.1 | Y696 I700 L719 A720 V743 Y744 R749 S750 I751 | Y696-L747 HydrophobicContact CD1-CD2 4.33Å; Y696-L747 HydrophobicContact CE1-CD2 4.17Å; I700-L747 HydrophobicContact CG1-CB 4.5Å; I700-L747 HydrophobicContact CG1-CD1 4.16Å; L719-L747 HydrophobicContact CB-CD2 3.96Å; A720-L747 HydrophobicContact CB-CD2 4.31Å; V743-L747 WeakPolarHBondContact O-CB 3.46Å; V743-L747 PolarHBondContact O-N 3.27Å; Y744-L747 PolarHBondContact O-N 3.1Å; L747-R749 PolarHBondContact O-N 3.09Å; L747-S750 PolarHBondContact O-N 3.29Å; L747-S750 VanDerWaalsContact O-N 3.16Å; L747-I751 HydrophobicContact CD1-CG2 3.94Å; L747-I751 HydrophobicContact CG-CG2 4.45Å; L747-I751 WeakPolarHBondContact O-CG1 3.46Å; L747-I751 WeakPolarHBondContact O-CG2 3.35Å; L747-I751 PolarHBondContact O-N 3.4Å |
| 748 | I | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | -178.4 | -64.2 | -55.2 | 0 | 0 | 0 | 111.2 | A720 Y744 S750 I751 L752 L784 V802 M803 | A720-I748 HydrophobicContact CB-CD1 4.11Å; Y744-I748 HydrophobicContact CD1-CG1 4.33Å; Y744-I748 HydrophobicContact CD2-CD1 4.49Å; Y744-I748 HydrophobicContact CD2-CG1 4.05Å; Y744-I748 HydrophobicContact CE1-CG1 3.95Å; Y744-I748 HydrophobicContact CE2-CD1 3.88Å; Y744-I748 HydrophobicContact CE2-CG1 3.66Å; Y744-I748 HydrophobicContact CG-CG1 4.37Å; Y744-I748 WeakPolarHBondContact O-CG1 3.38Å; Y744-I748 PolarHBondContact O-N 2.97Å; I748-S750 VanDerWaalsContact C-N 3.29Å; I748-S750 PolarHBondContact O-N 3.38Å; I748-I751 HydrophobicContact CD1-CD1 3.93Å; I748-L752 HydrophobicContact CG2-CD1 4.02Å; I748-L752 WeakPolarHBondContact O-CB 3.44Å; I748-L752 PolarHBondContact O-N 3.21Å; I748-L752 VanDerWaalsContact O-N 3.09Å; I748-L784 HydrophobicContact CD1-CD1 3.93Å; I748-L784 HydrophobicContact CD1-CD2 4.26Å; I748-V802 HydrophobicContact CB-CG1 3.91Å; I748-V802 HydrophobicContact CG1-CG1 4.48Å; I748-V802 HydrophobicContact CG2-CG1 3.73Å; I748-M803 HydrophobicContact CG2-CE 3.89Å; I748-M803 HydrophobicContact CG2-SD 4.39Å |
| 749 | R | 92.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 42.6 Ų | 42.6 | 44% | 0.438 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 176.5 | -77.8 | -161.9 | -177.3 | 111.5 | 11 | 112.9 | E745 L747 A753 F756 | E745-R749 VanDerWaalsContact CD-NH1 3.27Å; E745-R749 VanDerWaalsContact CG-NH1 3.3Å; E745-R749 WeakPolarHBondContact O-CB 3.38Å; E745-R749 WeakPolarHBondContact O-CG 3.36Å; E745-R749 PolarHBondContact O-N 3.29Å; E745-R749 IonicContact OE1-CZ 3.02Å; E745-R749 IonicContact OE1-NH1 3.4Å; E745-R749 PolarHBondContact OE1-NH1 3.1Å; E745-R749 IonicContact OE1-NH2 3.86Å; E745-R749 PolarHBondContact OE1-NH2 3.46Å; L747-R749 PolarHBondContact O-N 3.09Å; R749-A753 VanDerWaalsContact O-CA 3.24Å; R749-A753 WeakPolarHBondContact O-CA 3.45Å; R749-A753 WeakPolarHBondContact O-CB 3.45Å; R749-A753 PolarHBondContact O-N 3.49Å; R749-A753 VanDerWaalsContact O-N 3.07Å; R749-F756 HydrophobicContact CG-CE2 4.36Å |
| 750 | S | 94.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.3 | -51.3 | 178.4 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | I700 Q746 L747 I748 L752 A753 | I700-S750 PolarHBondContact O-OG 3.41Å; Q746-S750 WeakPolarHBondContact O-CB 3.47Å; Q746-S750 PolarHBondContact O-N 3.07Å; L747-S750 PolarHBondContact O-N 3.29Å; L747-S750 VanDerWaalsContact O-N 3.16Å; I748-S750 VanDerWaalsContact C-N 3.29Å; I748-S750 PolarHBondContact O-N 3.38Å; S750-L752 PolarHBondContact O-N 3.17Å; S750-A753 VanDerWaalsContact O-CB 3.25Å; S750-A753 WeakPolarHBondContact O-CB 3.32Å; S750-A753 PolarHBondContact O-N 3.12Å; S750-A753 VanDerWaalsContact O-N 3.07Å |
| 751 | I | 94 | Very high | 91.1 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -25.4 | -175.7 | 70 | -175.3 | 0 | 0 | 0 | 112.3 | Y716 L747 I748 L780 L784 | Y716-I751 HydrophobicContact CD1-CG2 4.05Å; Y716-I751 HydrophobicContact CD2-CB 4.08Å; Y716-I751 HydrophobicContact CD2-CD1 4.3Å; Y716-I751 HydrophobicContact CD2-CG2 3.97Å; Y716-I751 HydrophobicContact CE1-CG2 3.99Å; Y716-I751 HydrophobicContact CE2-CB 4.06Å; Y716-I751 HydrophobicContact CE2-CG2 3.87Å; Y716-I751 HydrophobicContact CG-CD1 4.25Å; Y716-I751 HydrophobicContact CG-CG2 4.06Å; L747-I751 HydrophobicContact CD1-CG2 3.94Å; L747-I751 HydrophobicContact CG-CG2 4.45Å; L747-I751 WeakPolarHBondContact O-CG1 3.46Å; L747-I751 WeakPolarHBondContact O-CG2 3.35Å; L747-I751 PolarHBondContact O-N 3.4Å; I748-I751 HydrophobicContact CD1-CD1 3.93Å; I751-L780 HydrophobicContact CB-CD2 4.48Å; I751-L780 HydrophobicContact CD1-CD2 4.16Å; I751-L780 HydrophobicContact CG1-CD2 4.26Å; I751-L784 HydrophobicContact CD1-CD1 4.43Å |
| 752 | L | 92.7 | Very high | 90 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 16.1 | 175.2 | -57.4 | -178.5 | 0 | 0 | 0 | 113.2 | I748 S750 D754 Y755 F756 L780 I781 M803 | I748-L752 HydrophobicContact CG2-CD1 4.02Å; I748-L752 WeakPolarHBondContact O-CB 3.44Å; I748-L752 PolarHBondContact O-N 3.21Å; I748-L752 VanDerWaalsContact O-N 3.09Å; S750-L752 PolarHBondContact O-N 3.17Å; L752-D754 VanDerWaalsContact C-N 3.27Å; L752-D754 PolarHBondContact O-N 3.2Å; L752-Y755 WeakPolarHBondContact O-CB 3.46Å; L752-Y755 PolarHBondContact O-N 3.34Å; L752-F756 HydrophobicContact CB-CD2 3.88Å; L752-F756 HydrophobicContact CB-CE2 3.78Å; L752-F756 HydrophobicContact CD1-CE2 4.45Å; L752-F756 VanDerWaalsContact O-CD2 3.32Å; L752-F756 WeakPolarHBondContact O-CD2 3.48Å; L752-F756 PolarHBondContact O-N 3.46Å; L752-L780 HydrophobicContact CD2-CD2 3.9Å; L752-L780 HydrophobicContact CD2-CG 4.42Å; L752-I781 HydrophobicContact CD1-CD1 4.45Å; L752-I781 HydrophobicContact CD1-CG1 3.85Å; L752-I781 HydrophobicContact CD2-CD1 4.2Å; L752-I781 HydrophobicContact CD2-CG1 3.79Å; L752-M803 HydrophobicContact CD1-CE 4.49Å |
| 753 | A | 91.9 | Very high | 88.8 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.8 | -42.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R749 S750 Y755 F756 A757 | R749-A753 VanDerWaalsContact O-CA 3.24Å; R749-A753 WeakPolarHBondContact O-CA 3.45Å; R749-A753 WeakPolarHBondContact O-CB 3.45Å; R749-A753 PolarHBondContact O-N 3.49Å; R749-A753 VanDerWaalsContact O-N 3.07Å; S750-A753 VanDerWaalsContact O-CB 3.25Å; S750-A753 WeakPolarHBondContact O-CB 3.32Å; S750-A753 PolarHBondContact O-N 3.12Å; S750-A753 VanDerWaalsContact O-N 3.07Å; A753-Y755 VanDerWaalsContact C-N 3.31Å; A753-Y755 PolarHBondContact O-N 3.48Å; A753-F756 PolarHBondContact O-N 3.14Å; A753-A757 WeakPolarHBondContact O-CB 3.4Å; A753-A757 PolarHBondContact O-N 3.24Å |
| 754 | D | 90.4 | Very high | 87.7 | Confident | 91 Ų | 91 | 53.2 Ų | 53.2 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 179.7 | -57.9 | -35.1 | 0 | 0 | 0 | 111.1 | K705 L752 V758 V773 | K705-D754 IonicContact NZ-OD2 3.21Å; K705-D754 PolarHBondContact NZ-OD2 3.46Å; L752-D754 VanDerWaalsContact C-N 3.27Å; L752-D754 PolarHBondContact O-N 3.2Å; D754-V758 WeakPolarHBondContact O-CG2 3.08Å; D754-V758 PolarHBondContact O-N 3.08Å; D754-V773 HydrophobicContact CB-CG1 3.9Å |
| 755 | Y | 90.9 | Very high | 87 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 175.3 | -171.2 | -83.7 | 0 | 0 | 0 | 111.8 | L752 A753 A757 V758 V759 I774 A777 I781 F806 T810 L830 | L752-Y755 WeakPolarHBondContact O-CB 3.46Å; L752-Y755 PolarHBondContact O-N 3.34Å; A753-Y755 VanDerWaalsContact C-N 3.31Å; A753-Y755 PolarHBondContact O-N 3.48Å; Y755-A757 VanDerWaalsContact C-N 3.28Å; Y755-A757 PolarHBondContact O-N 3.16Å; Y755-V758 WeakPolarHBondContact O-CB 3.35Å; Y755-V758 PolarHBondContact O-N 3.03Å; Y755-V758 VanDerWaalsContact O-N 3.11Å; Y755-V759 HydrophobicContact CD1-CG2 3.77Å; Y755-V759 HydrophobicContact CE1-CG2 3.4Å; Y755-V759 VanDerWaalsContact CE1-CG2 3.4Å; Y755-V759 PolarHBondContact O-N 3.19Å; Y755-I774 HydrophobicContact CD2-CG1 4.38Å; Y755-I774 HydrophobicContact CE2-CB 4.44Å; Y755-I774 HydrophobicContact CE2-CG1 3.97Å; Y755-I774 HydrophobicContact CE2-CG2 4.42Å; Y755-A777 HydrophobicContact CD2-CB 3.76Å; Y755-A777 HydrophobicContact CG-CB 4.28Å; Y755-I781 HydrophobicContact CD2-CD1 4.46Å; Y755-F806 AromaticContact CD1-CD2 3.64Å; Y755-F806 HydrophobicContact CD1-CD2 3.64Å; Y755-F806 AromaticContact CD1-CE2 3.53Å; Y755-F806 HydrophobicContact CD1-CE2 3.53Å; Y755-F806 AromaticContact CE1-CD2 3.31Å; Y755-F806 HydrophobicContact CE1-CD2 3.31Å; Y755-F806 AromaticContact CE1-CE2 3.02Å; Y755-F806 HydrophobicContact CE1-CE2 3.02Å; Y755-F806 HydrophobicContact CE1-CG 4.45Å; Y755-F806 AromaticContact CE1-CZ 3.99Å; Y755-F806 HydrophobicContact CE1-CZ 3.99Å; Y755-F806 HydrophobicContact CE2-CE2 4.19Å; Y755-F806 HydrophobicContact CG-CE2 4.3Å; Y755-F806 AromaticContact CZ-CE2 3.39Å; Y755-F806 AromaticContact CZ-CZ 3.98Å; Y755-T810 WeakPolarHBondContact OH-CB 3.27Å; Y755-T810 WeakPolarHBondContact OH-CG2 3.33Å; Y755-T810 PolarHBondContact OH-OG1 3.27Å; Y755-L830 HydrophobicContact CE2-CD1 4.48Å |
| 756 | F | 89.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.7 | -78.9 | -61.8 | 0 | 0 | 0 | 111.8 | R749 L752 A753 V758 V759 D760 F806 | R749-F756 HydrophobicContact CG-CE2 4.36Å; L752-F756 HydrophobicContact CB-CD2 3.88Å; L752-F756 HydrophobicContact CB-CE2 3.78Å; L752-F756 HydrophobicContact CD1-CE2 4.45Å; L752-F756 VanDerWaalsContact O-CD2 3.32Å; L752-F756 WeakPolarHBondContact O-CD2 3.48Å; L752-F756 PolarHBondContact O-N 3.46Å; A753-F756 PolarHBondContact O-N 3.14Å; F756-V758 VanDerWaalsContact C-N 3.29Å; F756-V758 PolarHBondContact O-N 3.42Å; F756-V759 WeakPolarHBondContact O-CB 3.44Å; F756-V759 PolarHBondContact O-N 2.97Å; F756-V759 VanDerWaalsContact O-N 3.14Å; F756-D760 WeakPolarHBondContact O-CB 3.38Å; F756-D760 VanDerWaalsContact O-CG 3.29Å; F756-D760 PolarHBondContact O-N 3.4Å; F756-F806 HydrophobicContact CE1-CB 4.19Å; F756-F806 HydrophobicContact CZ-CB 4.47Å |
| 757 | A | 89 | Confident | 86.3 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 49% | 0.488 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A753 Y755 A761 | A753-A757 WeakPolarHBondContact O-CB 3.4Å; A753-A757 PolarHBondContact O-N 3.24Å; Y755-A757 VanDerWaalsContact C-N 3.28Å; Y755-A757 PolarHBondContact O-N 3.16Å; A757-A761 WeakPolarHBondContact O-CB 3.43Å; A757-A761 PolarHBondContact O-N 2.55Å |
| 758 | V | 89.2 | Confident | 85.9 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 174.6 | 176 | 0 | 0 | 0 | 0 | 111.4 | D754 Y755 F756 A770 V773 L813 | D754-V758 WeakPolarHBondContact O-CG2 3.08Å; D754-V758 PolarHBondContact O-N 3.08Å; Y755-V758 WeakPolarHBondContact O-CB 3.35Å; Y755-V758 PolarHBondContact O-N 3.03Å; Y755-V758 VanDerWaalsContact O-N 3.11Å; F756-V758 VanDerWaalsContact C-N 3.29Å; F756-V758 PolarHBondContact O-N 3.42Å; V758-A770 HydrophobicContact CG1-CB 3.92Å; V758-V773 HydrophobicContact CG2-CB 4.28Å; V758-V773 HydrophobicContact CG2-CG1 4.05Å; V758-L813 HydrophobicContact CG1-CD1 3.98Å; V758-L813 HydrophobicContact CG1-CD2 3.97Å |
| 759 | V | 87 | Confident | 85.5 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.6 | -50.7 | 175.9 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | Y755 F756 A761 E762 G809 L813 | Y755-V759 HydrophobicContact CD1-CG2 3.77Å; Y755-V759 HydrophobicContact CE1-CG2 3.4Å; Y755-V759 VanDerWaalsContact CE1-CG2 3.4Å; Y755-V759 PolarHBondContact O-N 3.19Å; F756-V759 WeakPolarHBondContact O-CB 3.44Å; F756-V759 PolarHBondContact O-N 2.97Å; F756-V759 VanDerWaalsContact O-N 3.14Å; V759-A761 PolarHBondContact O-N 3.17Å; V759-E762 WeakPolarHBondContact O-CG 3.4Å; V759-E762 PolarHBondContact O-N 3.27Å; V759-G809 VanDerWaalsContact CG1-CA 3.45Å; V759-L813 HydrophobicContact CG2-CD1 3.97Å |
| 760 | D | 84.4 | Confident | 85.4 | Confident | 121 Ų | 121 | 60.7 Ų | 60.7 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.7 | -24.8 | -174.7 | -68.8 | -21.5 | 0 | 0 | 0 | 112.7 | F756 E762 | F756-D760 WeakPolarHBondContact O-CB 3.38Å; F756-D760 VanDerWaalsContact O-CG 3.29Å; F756-D760 PolarHBondContact O-N 3.4Å; D760-E762 PolarHBondContact O-N 3.39Å |
| 761 | A | 82.5 | Confident | 85.1 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -0.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A757 V759 Q763 S764 V765 | A757-A761 WeakPolarHBondContact O-CB 3.43Å; A757-A761 PolarHBondContact O-N 2.55Å; V759-A761 PolarHBondContact O-N 3.17Å; A761-Q763 PolarHBondContact O-N 3.4Å; A761-S764 WeakPolarHBondContact CB-OG 3.43Å; A761-S764 PolarHBondContact O-N 2.95Å; A761-S764 PolarHBondContact O-OG 2.98Å; A761-V765 HydrophobicContact CB-CG2 3.56Å |
| 762 | E | 65.4 | Low | 85 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 8.3 | 77.2 | 173.2 | -64.2 | -168.6 | 167.9 | 0 | 0 | 114.5 | V759 D760 | V759-E762 WeakPolarHBondContact O-CG 3.4Å; V759-E762 PolarHBondContact O-N 3.27Å; D760-E762 PolarHBondContact O-N 3.39Å |
| 763 | Q | 68.1 | Low | 84.9 | Confident | 165 Ų | 165 | 64.2 Ų | 64.2 | 77% | 0.771 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.7 | -9.6 | 175.3 | -55.6 | 164.1 | 19.5 | 0 | 0 | 117.7 | A761 L816 | A761-Q763 PolarHBondContact O-N 3.4Å; Q763-L816 HydrophobicContact CB-CD1 4.45Å; Q763-L816 HydrophobicContact CG-CD1 4.19Å |
| 764 | S | 68.8 | Low | 84.9 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | trans | -92.4 | -13.2 | -174.5 | 61.5 | 0 | 0 | 0 | 0 | 115.9 | A761 | A761-S764 WeakPolarHBondContact CB-OG 3.43Å; A761-S764 PolarHBondContact O-N 2.95Å; A761-S764 PolarHBondContact O-OG 2.98Å | ||
| 765 | V | 80.3 | Confident | 84.8 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 22% | 0.218 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -93.5 | 122.4 | -174.1 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | A761 M769 A770 Y817 | A761-V765 HydrophobicContact CB-CG2 3.56Å; V765-M769 HydrophobicContact CG1-CB 3.92Å; V765-A770 HydrophobicContact CG1-CB 3.95Å; V765-Y817 PolarHBondContact O-OH 3.16Å |
| 766 | P | 85.3 | Confident | 84.7 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | trans | -59.9 | 143.6 | 172.6 | -22.9 | 33.7 | 0 | 0 | 0 | 111.7 | E768 M769 A770 | P766-E768 PolarHBondContact O-N 3.36Å; P766-E768 VanDerWaalsContact O-N 3.16Å; P766-M769 PolarHBondContact O-N 3.23Å; P766-A770 PolarHBondContact O-N 3.43Å; P766-A770 VanDerWaalsContact O-N 3.11Å | ||
| 767 | Y | 86.6 | Confident | 84.8 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 22% | 0.22 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -49.6 | -43 | 178.7 | 161.4 | -97.5 | 0 | 0 | 0 | 113 | M769 A770 A771 Y817 H820 D822 C823 | Y767-M769 PolarHBondContact O-N 3.35Å; Y767-M769 VanDerWaalsContact O-N 3.12Å; Y767-A770 PolarHBondContact O-N 3.07Å; Y767-A770 VanDerWaalsContact O-N 3.1Å; Y767-A771 HydrophobicContact CD2-CB 3.97Å; Y767-A771 HydrophobicContact CE2-CB 3.59Å; Y767-A771 WeakPolarHBondContact O-CB 3.33Å; Y767-A771 PolarHBondContact O-N 3.27Å; Y767-Y817 HydrophobicContact CD2-CD1 4.18Å; Y767-H820 AromaticContact CD1-CE1 3.67Å; Y767-H820 AromaticContact CD1-ND1 3.82Å; Y767-H820 AromaticContact CD1-NE2 3.9Å; Y767-H820 HydrophobicContact CD2-CB 3.74Å; Y767-H820 AromaticContact CD2-CD2 3.36Å; Y767-H820 WeakPolarHBondContact CD2-CD2 3.38Å; Y767-H820 AromaticContact CD2-CG 3.43Å; Y767-H820 VanDerWaalsContact CD2-CG 3.43Å; Y767-H820 AromaticContact CD2-ND1 3.97Å; Y767-H820 AromaticContact CD2-NE2 3.9Å; Y767-H820 AromaticContact CE1-CE1 3.97Å; Y767-H820 AromaticContact CE1-ND1 3.69Å; Y767-H820 HydrophobicContact CE2-CB 3.26Å; Y767-H820 AromaticContact CE2-CD2 3.83Å; Y767-H820 AromaticContact CE2-CG 3.36Å; Y767-H820 AromaticContact CE2-ND1 3.81Å; Y767-H820 AromaticContact CG-CD2 3.54Å; Y767-H820 AromaticContact CG-CE1 3.79Å; Y767-H820 AromaticContact CG-CG 3.81Å; Y767-H820 AromaticContact CG-ND1 3.96Å; Y767-H820 AromaticContact CG-NE2 3.54Å; Y767-H820 AromaticContact CZ-CG 3.71Å; Y767-H820 AromaticContact CZ-ND1 3.66Å; Y767-D822 PolarHBondContact OH-OD1 2.93Å; Y767-D822 PolarHBondContact OH-OD2 3.33Å; Y767-C823 HydrophobicContact CD2-CB 4.48Å; Y767-C823 HydrophobicContact CE2-CB 3.84Å |
| 768 | E | 86.5 | Confident | 84.8 | Confident | 153 Ų | 153 | 64.9 Ų | 64.9 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58 | -28.9 | -179.2 | -63.9 | 173.8 | 178.8 | 0 | 0 | 113.1 | P766 P772 | P766-E768 PolarHBondContact O-N 3.36Å; P766-E768 VanDerWaalsContact O-N 3.16Å; E768-P772 VanDerWaalsContact O-CD 3.27Å; E768-P772 WeakPolarHBondContact O-CD 3.26Å; E768-P772 WeakPolarHBondContact O-CG 3.48Å |
| 769 | M | 87.4 | Confident | 84.9 | Confident | 129 Ų | 129 | 67.8 Ų | 67.8 | 64% | 0.635 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -91 | -34.1 | 178.1 | -64.6 | -70.1 | 161.4 | 0 | 0 | 111.8 | V765 P766 Y767 | V765-M769 HydrophobicContact CG1-CB 3.92Å; P766-M769 PolarHBondContact O-N 3.23Å; Y767-M769 PolarHBondContact O-N 3.35Å; Y767-M769 VanDerWaalsContact O-N 3.12Å |
| 770 | A | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -79.6 | -39.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V758 V765 P766 Y767 V773 I774 Y817 | V758-A770 HydrophobicContact CG1-CB 3.92Å; V765-A770 HydrophobicContact CG1-CB 3.95Å; P766-A770 PolarHBondContact O-N 3.43Å; P766-A770 VanDerWaalsContact O-N 3.11Å; Y767-A770 PolarHBondContact O-N 3.07Å; Y767-A770 VanDerWaalsContact O-N 3.1Å; A770-V773 WeakPolarHBondContact O-CB 3.37Å; A770-V773 PolarHBondContact O-N 3.44Å; A770-V773 VanDerWaalsContact O-N 3.16Å; A770-I774 HydrophobicContact CB-CD1 4.35Å; A770-I774 WeakPolarHBondContact O-CG1 3.09Å; A770-I774 PolarHBondContact O-N 3.24Å; A770-Y817 HydrophobicContact CB-CE1 4.38Å; A770-Y817 HydrophobicContact CB-CE2 3.88Å; A770-Y817 WeakPolarHBondContact CB-OH 3.42Å |
| 771 | A | 89.6 | Confident | 85.6 | Confident | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y767 V773 I774 K775 | Y767-A771 HydrophobicContact CD2-CB 3.97Å; Y767-A771 HydrophobicContact CE2-CB 3.59Å; Y767-A771 WeakPolarHBondContact O-CB 3.33Å; Y767-A771 PolarHBondContact O-N 3.27Å; A771-V773 VanDerWaalsContact C-N 3.3Å; A771-V773 PolarHBondContact O-N 3.35Å; A771-I774 PolarHBondContact O-N 3.49Å; A771-K775 WeakPolarHBondContact O-CB 3.38Å; A771-K775 WeakPolarHBondContact O-CG 3.45Å; A771-K775 PolarHBondContact O-N 3.44Å |
| 772 | P | 91 | Very high | 86 | Confident | 79 Ų | 79 | 61.6 Ų | 61.6 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 175.9 | -22 | 33.6 | 0 | 0 | 0 | 112.7 | E768 K776 | E768-P772 VanDerWaalsContact O-CD 3.27Å; E768-P772 WeakPolarHBondContact O-CD 3.26Å; E768-P772 WeakPolarHBondContact O-CG 3.48Å; P772-K776 WeakPolarHBondContact O-CB 3.36Å; P772-K776 PolarHBondContact O-N 2.93Å |
| 773 | V | 91.6 | Very high | 87.3 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 178.2 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | D754 V758 A770 A771 K776 A777 | D754-V773 HydrophobicContact CB-CG1 3.9Å; V758-V773 HydrophobicContact CG2-CB 4.28Å; V758-V773 HydrophobicContact CG2-CG1 4.05Å; A770-V773 WeakPolarHBondContact O-CB 3.37Å; A770-V773 PolarHBondContact O-N 3.44Å; A770-V773 VanDerWaalsContact O-N 3.16Å; A771-V773 VanDerWaalsContact C-N 3.3Å; A771-V773 PolarHBondContact O-N 3.35Å; V773-K776 PolarHBondContact O-N 2.83Å; V773-A777 VanDerWaalsContact O-CB 3.3Å; V773-A777 WeakPolarHBondContact O-CB 3.36Å; V773-A777 PolarHBondContact O-N 3.22Å |
| 774 | I | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 178.4 | -67.1 | 164.4 | 0 | 0 | 0 | 110.4 | Y755 A770 A771 K776 A777 A778 L813 Y817 C823 L827 | Y755-I774 HydrophobicContact CD2-CG1 4.38Å; Y755-I774 HydrophobicContact CE2-CB 4.44Å; Y755-I774 HydrophobicContact CE2-CG1 3.97Å; Y755-I774 HydrophobicContact CE2-CG2 4.42Å; A770-I774 HydrophobicContact CB-CD1 4.35Å; A770-I774 WeakPolarHBondContact O-CG1 3.09Å; A770-I774 PolarHBondContact O-N 3.24Å; A771-I774 PolarHBondContact O-N 3.49Å; I774-K776 VanDerWaalsContact C-N 3.3Å; I774-K776 PolarHBondContact O-N 3.2Å; I774-A777 PolarHBondContact O-N 2.92Å; I774-A778 WeakPolarHBondContact O-CB 3.34Å; I774-A778 PolarHBondContact O-N 3.32Å; I774-L813 HydrophobicContact CD1-CD1 4.28Å; I774-Y817 HydrophobicContact CD1-CD2 4.15Å; I774-Y817 HydrophobicContact CD1-CE2 3.92Å; I774-C823 VanDerWaalsContact CD1-SG 3.52Å; I774-L827 HydrophobicContact CD1-CD2 4.32Å; I774-L827 HydrophobicContact CG2-CD2 3.87Å; I774-L827 HydrophobicContact CG2-CG 4.16Å |
| 775 | K | 89.2 | Confident | 89.6 | Confident | 94 Ų | 94 | 45.2 Ų | 45.2 | 41% | 0.409 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.8 | -36.9 | -179.8 | -72 | -177.6 | -177.7 | -179.1 | 0 | 112.5 | A771 P779 D822 | A771-K775 WeakPolarHBondContact O-CB 3.38Å; A771-K775 WeakPolarHBondContact O-CG 3.45Å; A771-K775 PolarHBondContact O-N 3.44Å; K775-P779 VanDerWaalsContact O-CD 3.24Å; K775-P779 WeakPolarHBondContact O-CD 3.45Å; K775-D822 WeakPolarHBondContact CE-OD2 3.41Å; K775-D822 IonicContact NZ-OD2 3.9Å; K775-D822 PolarHBondContact NZ-OD2 3.03Å |
| 776 | K | 88.5 | Confident | 90.2 | Very high | 118 Ų | 118 | 46.1 Ų | 46.1 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.3 | -37.9 | 177.2 | -173.4 | 174 | -177 | 176.2 | 0 | 112.8 | P772 V773 I774 | P772-K776 WeakPolarHBondContact O-CB 3.36Å; P772-K776 PolarHBondContact O-N 2.93Å; V773-K776 PolarHBondContact O-N 2.83Å; I774-K776 VanDerWaalsContact C-N 3.3Å; I774-K776 PolarHBondContact O-N 3.2Å |
| 777 | A | 90.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77 | -30.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y755 V773 I774 L780 I781 | Y755-A777 HydrophobicContact CD2-CB 3.76Å; Y755-A777 HydrophobicContact CG-CB 4.28Å; V773-A777 VanDerWaalsContact O-CB 3.3Å; V773-A777 WeakPolarHBondContact O-CB 3.36Å; V773-A777 PolarHBondContact O-N 3.22Å; I774-A777 PolarHBondContact O-N 2.92Å; A777-L780 PolarHBondContact O-N 2.9Å; A777-I781 HydrophobicContact CB-CD1 3.94Å; A777-I781 WeakPolarHBondContact O-CD1 3.45Å; A777-I781 WeakPolarHBondContact O-CG1 3.42Å; A777-I781 PolarHBondContact O-N 3.37Å |
| 778 | A | 89.9 | Confident | 90.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I774 L780 I781 V782 L830 | I774-A778 WeakPolarHBondContact O-CB 3.34Å; I774-A778 PolarHBondContact O-N 3.32Å; A778-L780 VanDerWaalsContact C-N 3.29Å; A778-L780 PolarHBondContact O-N 3.32Å; A778-I781 PolarHBondContact O-N 3.33Å; A778-I781 VanDerWaalsContact O-N 3.15Å; A778-V782 WeakPolarHBondContact O-CG2 3.5Å; A778-V782 PolarHBondContact O-N 3.39Å; A778-L830 HydrophobicContact CB-CD1 3.86Å; A778-L830 HydrophobicContact CB-CD2 4.08Å; A778-L830 HydrophobicContact CB-CG 4Å |
| 779 | P | 91.1 | Very high | 90.7 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 47% | 0.468 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.3 | -36.7 | -179.6 | -24.4 | 34.6 | 0 | 0 | 0 | 113.4 | K775 A783 | K775-P779 VanDerWaalsContact O-CD 3.24Å; K775-P779 WeakPolarHBondContact O-CD 3.45Å; P779-A783 VanDerWaalsContact O-CB 3.29Å; P779-A783 WeakPolarHBondContact O-CB 3.39Å; P779-A783 PolarHBondContact O-N 3.24Å |
| 780 | L | 92.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 177.5 | 173.7 | 59.2 | 0 | 0 | 0 | 111.2 | N713 Y716 V717 I751 L752 A777 A778 A783 L784 | N713-L780 HydrophobicContact CB-CD1 4.29Å; Y716-L780 HydrophobicContact CD2-CD1 4.22Å; Y716-L780 HydrophobicContact CD2-CD2 3.88Å; V717-L780 HydrophobicContact CG2-CD1 4.23Å; I751-L780 HydrophobicContact CB-CD2 4.48Å; I751-L780 HydrophobicContact CD1-CD2 4.16Å; I751-L780 HydrophobicContact CG1-CD2 4.26Å; L752-L780 HydrophobicContact CD2-CD2 3.9Å; L752-L780 HydrophobicContact CD2-CG 4.42Å; A777-L780 PolarHBondContact O-N 2.9Å; A778-L780 VanDerWaalsContact C-N 3.29Å; A778-L780 PolarHBondContact O-N 3.32Å; L780-A783 PolarHBondContact O-N 3.03Å; L780-L784 HydrophobicContact CD1-CD1 4.24Å; L780-L784 HydrophobicContact CD1-CG 4.3Å; L780-L784 HydrophobicContact CG-CD1 4.17Å; L780-L784 VanDerWaalsContact O-CG 3.29Å; L780-L784 WeakPolarHBondContact O-CG 3.4Å; L780-L784 PolarHBondContact O-N 3.08Å |
| 781 | I | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | -179.8 | -62.8 | 152 | 0 | 0 | 0 | 110.4 | L752 Y755 A777 A778 A783 L784 L785 F806 L830 | L752-I781 HydrophobicContact CD1-CD1 4.45Å; L752-I781 HydrophobicContact CD1-CG1 3.85Å; L752-I781 HydrophobicContact CD2-CD1 4.2Å; L752-I781 HydrophobicContact CD2-CG1 3.79Å; Y755-I781 HydrophobicContact CD2-CD1 4.46Å; A777-I781 HydrophobicContact CB-CD1 3.94Å; A777-I781 WeakPolarHBondContact O-CD1 3.45Å; A777-I781 WeakPolarHBondContact O-CG1 3.42Å; A777-I781 PolarHBondContact O-N 3.37Å; A778-I781 PolarHBondContact O-N 3.33Å; A778-I781 VanDerWaalsContact O-N 3.15Å; I781-A783 VanDerWaalsContact C-N 3.35Å; I781-A783 PolarHBondContact O-N 2.97Å; I781-L784 PolarHBondContact O-N 3.3Å; I781-L785 HydrophobicContact CG2-CD1 3.91Å; I781-L785 HydrophobicContact CG2-CG 4.45Å; I781-L785 WeakPolarHBondContact O-CG 3.49Å; I781-L785 PolarHBondContact O-N 3.08Å; I781-F806 HydrophobicContact CB-CZ 4.44Å; I781-F806 HydrophobicContact CD1-CD2 4.4Å; I781-F806 HydrophobicContact CD1-CE2 3.33Å; I781-F806 HydrophobicContact CD1-CZ 3.62Å; I781-F806 HydrophobicContact CG1-CE2 4.11Å; I781-F806 HydrophobicContact CG1-CZ 4.28Å; I781-F806 HydrophobicContact CG2-CE1 3.91Å; I781-F806 HydrophobicContact CG2-CE2 4.24Å; I781-F806 HydrophobicContact CG2-CZ 3.67Å; I781-L830 HydrophobicContact CB-CD2 3.6Å; I781-L830 HydrophobicContact CD1-CD1 4.47Å; I781-L830 HydrophobicContact CD1-CD2 4.09Å; I781-L830 HydrophobicContact CG1-CD2 4.48Å; I781-L830 HydrophobicContact CG2-CD2 3.61Å |
| 782 | V | 91.9 | Very high | 90.4 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | A778 L784 L785 D786 L830 H833 | A778-V782 WeakPolarHBondContact O-CG2 3.5Å; A778-V782 PolarHBondContact O-N 3.39Å; V782-L784 VanDerWaalsContact C-N 3.31Å; V782-L784 PolarHBondContact O-N 3.13Å; V782-L785 PolarHBondContact O-N 3.48Å; V782-L785 VanDerWaalsContact O-N 3.11Å; V782-D786 WeakPolarHBondContact O-CB 3.4Å; V782-D786 PolarHBondContact O-N 3.02Å; V782-L830 HydrophobicContact CG2-CD2 3.96Å; V782-H833 HydrophobicContact CG2-CB 4.49Å |
| 783 | A | 92 | Very high | 90 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -36 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | V717 P779 L780 I781 S787 | V717-A783 HydrophobicContact CG2-CB 3.71Å; P779-A783 VanDerWaalsContact O-CB 3.29Å; P779-A783 WeakPolarHBondContact O-CB 3.39Å; P779-A783 PolarHBondContact O-N 3.24Å; L780-A783 PolarHBondContact O-N 3.03Å; I781-A783 VanDerWaalsContact C-N 3.35Å; I781-A783 PolarHBondContact O-N 2.97Å; A783-S787 VanDerWaalsContact O-CB 3.32Å; A783-S787 WeakPolarHBondContact O-CB 3.48Å; A783-S787 PolarHBondContact O-N 3.23Å; A783-S787 PolarHBondContact O-OG 2.9Å |
| 784 | L | 93.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 173.3 | -73.8 | 166.6 | 0 | 0 | 0 | 111.5 | V717 A720 I748 I751 L780 I781 V782 S787 M803 | V717-L784 HydrophobicContact CB-CD2 4.46Å; V717-L784 HydrophobicContact CG2-CD2 4Å; V717-L784 HydrophobicContact CG2-CG 4.08Å; A720-L784 HydrophobicContact CB-CD2 3.46Å; A720-L784 VanDerWaalsContact CB-CD2 3.46Å; I748-L784 HydrophobicContact CD1-CD1 3.93Å; I748-L784 HydrophobicContact CD1-CD2 4.26Å; I751-L784 HydrophobicContact CD1-CD1 4.43Å; L780-L784 HydrophobicContact CD1-CD1 4.24Å; L780-L784 HydrophobicContact CD1-CG 4.3Å; L780-L784 HydrophobicContact CG-CD1 4.17Å; L780-L784 VanDerWaalsContact O-CG 3.29Å; L780-L784 WeakPolarHBondContact O-CG 3.4Å; L780-L784 PolarHBondContact O-N 3.08Å; I781-L784 PolarHBondContact O-N 3.3Å; V782-L784 VanDerWaalsContact C-N 3.31Å; V782-L784 PolarHBondContact O-N 3.13Å; L784-S787 PolarHBondContact O-OG 3.27Å; L784-M803 HydrophobicContact CD1-CE 4.25Å |
| 785 | L | 92.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.1 | -42.6 | -178.1 | -70.2 | 168.9 | 0 | 0 | 0 | 112.9 | I781 V782 S787 I788 E789 H833 L834 T837 L838 | I781-L785 HydrophobicContact CG2-CD1 3.91Å; I781-L785 HydrophobicContact CG2-CG 4.45Å; I781-L785 WeakPolarHBondContact O-CG 3.49Å; I781-L785 PolarHBondContact O-N 3.08Å; V782-L785 PolarHBondContact O-N 3.48Å; V782-L785 VanDerWaalsContact O-N 3.11Å; L785-S787 VanDerWaalsContact C-N 3.26Å; L785-S787 PolarHBondContact O-N 3.47Å; L785-I788 WeakPolarHBondContact O-CG1 3.35Å; L785-I788 PolarHBondContact O-N 3.31Å; L785-E789 PolarHBondContact O-N 3.32Å; L785-H833 HydrophobicContact CD1-CB 4.1Å; L785-L834 HydrophobicContact CD1-CB 4.03Å; L785-T837 HydrophobicContact CD2-CG2 4.36Å; L785-T837 WeakPolarHBondContact O-CG2 3.5Å; L785-T837 PolarHBondContact O-OG1 3.14Å; L785-L838 HydrophobicContact CD2-CD1 4.03Å; L785-L838 HydrophobicContact CD2-CG 4.46Å |
| 786 | D | 91.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -35.7 | -178.7 | -78.5 | -1 | 0 | 0 | 0 | 111.6 | V782 I788 E789 H833 R836 | V782-D786 WeakPolarHBondContact O-CB 3.4Å; V782-D786 PolarHBondContact O-N 3.02Å; D786-I788 PolarHBondContact O-N 3.11Å; D786-I788 VanDerWaalsContact O-N 3.1Å; D786-E789 PolarHBondContact O-N 3.49Å; D786-H833 IonicContact OD1-CE1 3.64Å; D786-H833 PolarHBondContact OD1-CE1 2.88Å; D786-H833 IonicContact OD1-CG 2.67Å; D786-H833 IonicContact OD1-ND1 3.95Å; D786-H833 PolarHBondContact OD1-ND1 3.02Å; D786-H833 IonicContact OD2-CE1 2.72Å; D786-H833 PolarHBondContact OD2-CE1 3.46Å; D786-H833 IonicContact OD2-ND1 2.98Å; D786-H833 PolarHBondContact OD2-ND1 3.4Å; D786-R836 IonicContact OD1-CZ 2.74Å; D786-R836 IonicContact OD1-NH2 3.71Å; D786-R836 PolarHBondContact OD1-NH2 3.09Å; D786-R836 IonicContact OD2-NH2 2.71Å; D786-R836 PolarHBondContact OD2-NH2 3.17Å |
| 787 | S | 89.8 | Confident | 89.5 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.6 | -178.1 | 72.5 | 0 | 0 | 0 | 0 | 114.7 | N721 A783 L784 L785 | N721-S787 WeakPolarHBondContact ND2-CB 3.5Å; N721-S787 PolarHBondContact ND2-OG 2.91Å; N721-S787 PolarHBondContact OD1-OG 3.45Å; N721-S787 VanDerWaalsContact OD1-OG 3.1Å; A783-S787 VanDerWaalsContact O-CB 3.32Å; A783-S787 WeakPolarHBondContact O-CB 3.48Å; A783-S787 PolarHBondContact O-N 3.23Å; A783-S787 PolarHBondContact O-OG 2.9Å; L784-S787 PolarHBondContact O-OG 3.27Å; L785-S787 VanDerWaalsContact C-N 3.26Å; L785-S787 PolarHBondContact O-N 3.47Å |
| 788 | I | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 11 | 177.2 | 64.7 | 164.1 | 0 | 0 | 0 | 113.7 | I724 L725 L785 D786 N790 E791 T795 K796 C799 T837 | I724-I788 HydrophobicContact CD1-CD1 4.43Å; I724-I788 HydrophobicContact CD1-CG2 3.81Å; L725-I788 HydrophobicContact CD2-CG2 4.38Å; L785-I788 WeakPolarHBondContact O-CG1 3.35Å; L785-I788 PolarHBondContact O-N 3.31Å; D786-I788 PolarHBondContact O-N 3.11Å; D786-I788 VanDerWaalsContact O-N 3.1Å; I788-N790 VanDerWaalsContact C-N 3.28Å; I788-N790 PolarHBondContact O-N 3.38Å; I788-E791 HydrophobicContact CB-CB 4.24Å; I788-E791 HydrophobicContact CB-CG 4.25Å; I788-E791 WeakPolarHBondContact O-CB 3.36Å; I788-E791 PolarHBondContact O-N 2.88Å; I788-E791 VanDerWaalsContact O-N 3.16Å; I788-T795 HydrophobicContact CB-CG2 4.21Å; I788-T795 HydrophobicContact CG2-CG2 3.93Å; I788-K796 WeakPolarHBondContact O-CE 3.43Å; I788-C799 HydrophobicContact CD1-CB 3.52Å; I788-C799 VanDerWaalsContact CD1-SG 3.51Å; I788-T837 HydrophobicContact CD1-CG2 3.93Å; I788-T837 HydrophobicContact CG1-CG2 3.61Å |
| 789 | E | 88.5 | Confident | 89.2 | Confident | 48 Ų | 48 | 43 Ų | 43 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -42.4 | -175.7 | -175 | 179.4 | 166.8 | 0 | 0 | 112.4 | L785 D786 K796 R836 | L785-E789 PolarHBondContact O-N 3.32Å; D786-E789 PolarHBondContact O-N 3.49Å; E789-K796 WeakPolarHBondContact O-CE 3.36Å; E789-K796 PolarHBondContact O-NZ 2.84Å; E789-R836 VanDerWaalsContact CD-NE 3.3Å; E789-R836 HydrophobicContact CG-CG 4.3Å; E789-R836 WeakPolarHBondContact OE1-CD 3.2Å; E789-R836 VanDerWaalsContact OE1-CG 3.22Å; E789-R836 WeakPolarHBondContact OE1-CG 3.44Å; E789-R836 IonicContact OE1-CZ 2.69Å; E789-R836 IonicContact OE1-NE 2.66Å; E789-R836 PolarHBondContact OE1-NE 2.89Å; E789-R836 IonicContact OE2-CZ 3.67Å; E789-R836 IonicContact OE2-NE 3.57Å; E789-R836 PolarHBondContact OE2-NE 2.81Å; E789-R836 IonicContact OE2-NH1 3.92Å; E789-R836 IonicContact OE2-NH2 2.84Å; E789-R836 PolarHBondContact OE2-NH2 3.24Å |
| 790 | N | 87 | Confident | 89.2 | Confident | 157 Ų | 157 | 41.5 Ų | 41.5 | 84% | 0.84 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 11.6 | -177.4 | -64.9 | -44.7 | 0 | 0 | 0 | 113.8 | I788 | I788-N790 VanDerWaalsContact C-N 3.28Å; I788-N790 PolarHBondContact O-N 3.38Å |
| 791 | E | 88.3 | Confident | 88.8 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -88.8 | 166.9 | -174.4 | -72 | -71.5 | 171.6 | 0 | 0 | 113.6 | R681 L725 I788 T795 K796 | R681-E791 IonicContact NH2-OE1 3.82Å; L725-E791 HydrophobicContact CD2-CB 4.44Å; L725-E791 HydrophobicContact CD2-CG 3.57Å; L725-E791 WeakPolarHBondContact CD2-OE1 3.48Å; I788-E791 HydrophobicContact CB-CB 4.24Å; I788-E791 HydrophobicContact CB-CG 4.25Å; I788-E791 WeakPolarHBondContact O-CB 3.36Å; I788-E791 PolarHBondContact O-N 2.88Å; I788-E791 VanDerWaalsContact O-N 3.16Å; E791-T795 HydrophobicContact CB-CG2 3.93Å; E791-T795 HydrophobicContact CG-CG2 4.48Å; E791-K796 WeakPolarHBondContact O-CE 3.35Å |
| 792 | S | 84.2 | Confident | 88.3 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | trans | -59.6 | 159.1 | -176 | 80.7 | 0 | 0 | 0 | 0 | 114 | V794 T795 K796 | S792-V794 PolarHBondContact O-N 2.75Å; S792-V794 PolarHBondContact OG-N 2.95Å; S792-T795 WeakPolarHBondContact O-CB 3.32Å; S792-T795 PolarHBondContact O-N 3.44Å; S792-T795 PolarHBondContact OG-N 2.85Å; S792-T795 PolarHBondContact OG-OG1 3.11Å; S792-K796 PolarHBondContact O-N 3.29Å; S792-K796 VanDerWaalsContact O-N 3.09Å | ||
| 793 | A | 82.9 | Confident | 88 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 60% | 0.603 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59 | -28.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R797 | A793-R797 VanDerWaalsContact O-CB 3.26Å; A793-R797 WeakPolarHBondContact O-CB 3.44Å; A793-R797 PolarHBondContact O-N 3.16Å |
| 794 | V | 82.6 | Confident | 87.7 | Confident | 77 Ų | 77 | 49.7 Ų | 49.7 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.7 | -46.3 | 178 | 178 | 0 | 0 | 0 | 0 | 110.7 | W737 S792 R797 T798 | W737-V794 HydrophobicContact CZ2-CG1 4.33Å; S792-V794 PolarHBondContact O-N 2.75Å; S792-V794 PolarHBondContact OG-N 2.95Å; V794-R797 PolarHBondContact O-N 2.82Å; V794-T798 PolarHBondContact O-N 3.49Å; V794-T798 VanDerWaalsContact O-N 3.07Å; V794-T798 PolarHBondContact O-OG1 3.11Å |
| 795 | T | 88.6 | Confident | 87 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.8 | -53 | 174.2 | -50.4 | 0 | 0 | 0 | 0 | 110.2 | I724 L725 I788 E791 S792 R797 T798 C799 | I724-T795 HydrophobicContact CB-CG2 4.38Å; I724-T795 HydrophobicContact CD1-CG2 4.25Å; I724-T795 HydrophobicContact CG1-CG2 4.15Å; I724-T795 WeakPolarHBondContact O-CG2 3.38Å; L725-T795 HydrophobicContact CD2-CG2 3.97Å; I788-T795 HydrophobicContact CB-CG2 4.21Å; I788-T795 HydrophobicContact CG2-CG2 3.93Å; E791-T795 HydrophobicContact CB-CG2 3.93Å; E791-T795 HydrophobicContact CG-CG2 4.48Å; S792-T795 WeakPolarHBondContact O-CB 3.32Å; S792-T795 PolarHBondContact O-N 3.44Å; S792-T795 PolarHBondContact OG-N 2.85Å; S792-T795 PolarHBondContact OG-OG1 3.11Å; T795-R797 VanDerWaalsContact C-N 3.33Å; T795-R797 PolarHBondContact O-N 3Å; T795-T798 PolarHBondContact O-N 3.43Å; T795-C799 PolarHBondContact O-N 3.47Å |
| 796 | K | 90.5 | Very high | 86.5 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | -178.7 | -68.3 | -174.1 | 175.9 | -158.1 | 0 | 112.8 | I788 E789 E791 S792 C799 Y800 T837 L838 | I788-K796 WeakPolarHBondContact O-CE 3.43Å; E789-K796 WeakPolarHBondContact O-CE 3.36Å; E789-K796 PolarHBondContact O-NZ 2.84Å; E791-K796 WeakPolarHBondContact O-CE 3.35Å; S792-K796 PolarHBondContact O-N 3.29Å; S792-K796 VanDerWaalsContact O-N 3.09Å; K796-C799 PolarHBondContact O-N 2.9Å; K796-Y800 WeakPolarHBondContact O-CB 3.42Å; K796-Y800 PolarHBondContact O-N 3.05Å; K796-T837 WeakPolarHBondContact CD-O 3.14Å; K796-T837 WeakPolarHBondContact CE-O 3.34Å; K796-T837 PolarHBondContact NZ-O 3.48Å; K796-T837 VanDerWaalsContact NZ-O 3.08Å; K796-L838 HydrophobicContact CB-CD2 3.84Å; K796-L838 HydrophobicContact CG-CD2 4.23Å; K796-L838 WeakPolarHBondContact O-CD2 3.26Å |
| 797 | R | 87.7 | Confident | 86.2 | Confident | 170 Ų | 170 | 51.9 Ų | 51.9 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 177.3 | -168.6 | 171 | -167 | 158.9 | 3.1 | 111.9 | A793 V794 T795 Y800 D801 | A793-R797 VanDerWaalsContact O-CB 3.26Å; A793-R797 WeakPolarHBondContact O-CB 3.44Å; A793-R797 PolarHBondContact O-N 3.16Å; V794-R797 PolarHBondContact O-N 2.82Å; T795-R797 VanDerWaalsContact C-N 3.33Å; T795-R797 PolarHBondContact O-N 3Å; R797-Y800 WeakPolarHBondContact O-CB 3.44Å; R797-Y800 PolarHBondContact O-N 3.23Å; R797-D801 VanDerWaalsContact O-CG 3.26Å; R797-D801 PolarHBondContact O-N 3.44Å |
| 798 | T | 83.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.7 | -56 | 0 | 0 | 0 | 0 | 111.8 | I724 K741 V794 T795 D801 | I724-T798 HydrophobicContact CG2-CG2 3.89Å; K741-T798 HydrophobicContact CD-CG2 4.07Å; K741-T798 VanDerWaalsContact CE-OG1 3.27Å; K741-T798 WeakPolarHBondContact CE-OG1 3.5Å; K741-T798 HydrophobicContact CG-CG2 3.64Å; V794-T798 PolarHBondContact O-N 3.49Å; V794-T798 VanDerWaalsContact O-N 3.07Å; V794-T798 PolarHBondContact O-OG1 3.11Å; T795-T798 PolarHBondContact O-N 3.43Å; T798-D801 PolarHBondContact O-N 3.27Å |
| 799 | C | 90.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 172.6 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | I724 I788 T795 K796 D801 V802 M803 | I724-C799 HydrophobicContact CD1-CB 4.38Å; I788-C799 HydrophobicContact CD1-CB 3.52Å; I788-C799 VanDerWaalsContact CD1-SG 3.51Å; T795-C799 PolarHBondContact O-N 3.47Å; K796-C799 PolarHBondContact O-N 2.9Å; C799-D801 PolarHBondContact O-N 3.31Å; C799-V802 PolarHBondContact O-N 2.92Å; C799-M803 WeakPolarHBondContact O-CB 3.36Å; C799-M803 WeakPolarHBondContact O-CG 3.39Å; C799-M803 PolarHBondContact O-N 2.81Å |
| 800 | Y | 90.5 | Very high | 85.8 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 178.6 | 172.3 | -102.3 | 0 | 0 | 0 | 113.4 | K796 R797 V802 M803 R804 Q841 F842 | K796-Y800 WeakPolarHBondContact O-CB 3.42Å; K796-Y800 PolarHBondContact O-N 3.05Å; R797-Y800 WeakPolarHBondContact O-CB 3.44Å; R797-Y800 PolarHBondContact O-N 3.23Å; Y800-V802 PolarHBondContact O-N 3.26Å; Y800-V802 VanDerWaalsContact O-N 3.11Å; Y800-M803 PolarHBondContact O-N 3.46Å; Y800-M803 VanDerWaalsContact O-N 3.16Å; Y800-R804 HydrophobicContact CD2-CB 4.39Å; Y800-R804 HydrophobicContact CE1-CB 4.44Å; Y800-R804 HydrophobicContact CE2-CB 3.95Å; Y800-R804 HydrophobicContact CE2-CG 4.1Å; Y800-R804 WeakPolarHBondContact O-CB 3.44Å; Y800-R804 PolarHBondContact O-N 3.11Å; Y800-Q841 HydrophobicContact CD1-CB 3.99Å; Y800-Q841 HydrophobicContact CD2-CB 3.54Å; Y800-Q841 HydrophobicContact CE1-CB 4.43Å; Y800-Q841 HydrophobicContact CE2-CB 4.07Å; Y800-Q841 HydrophobicContact CG-CB 3.49Å; Y800-Q841 VanDerWaalsContact CG-CB 3.49Å; Y800-Q841 HydrophobicContact CG-CG 4.15Å; Y800-Q841 PolarHBondContact OH-O 2.71Å; Y800-F842 AromaticContact CD2-CD2 3.92Å; Y800-F842 HydrophobicContact CD2-CD2 3.92Å; Y800-F842 AromaticContact CD2-CE2 3.75Å; Y800-F842 HydrophobicContact CD2-CE2 3.75Å; Y800-F842 HydrophobicContact CD2-CG 4.43Å; Y800-F842 HydrophobicContact CD2-CZ 4.15Å; Y800-F842 AromaticContact CE2-CD1 3.98Å; Y800-F842 HydrophobicContact CE2-CD1 3.98Å; Y800-F842 AromaticContact CE2-CD2 3.84Å; Y800-F842 HydrophobicContact CE2-CD2 3.84Å; Y800-F842 HydrophobicContact CE2-CE1 4.03Å; Y800-F842 AromaticContact CE2-CE2 3.88Å; Y800-F842 HydrophobicContact CE2-CE2 3.88Å; Y800-F842 AromaticContact CE2-CG 3.89Å; Y800-F842 HydrophobicContact CE2-CG 3.89Å; Y800-F842 AromaticContact CE2-CZ 3.98Å; Y800-F842 HydrophobicContact CE2-CZ 3.98Å |
| 801 | D | 85.1 | Confident | 85.9 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56 | -32.5 | -179 | -69.1 | -23.9 | 0 | 0 | 0 | 111.7 | R797 T798 C799 | R797-D801 VanDerWaalsContact O-CG 3.26Å; R797-D801 PolarHBondContact O-N 3.44Å; T798-D801 PolarHBondContact O-N 3.27Å; C799-D801 PolarHBondContact O-N 3.31Å |
| 802 | V | 81.9 | Confident | 86 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -88.9 | -41.8 | 175.7 | -175.3 | 0 | 0 | 0 | 0 | 112 | Y744 E745 I748 C799 Y800 R804 | Y744-V802 HydrophobicContact CD1-CB 4.46Å; Y744-V802 HydrophobicContact CD1-CG2 3.71Å; Y744-V802 HydrophobicContact CE1-CB 3.96Å; Y744-V802 HydrophobicContact CE1-CG1 4.46Å; Y744-V802 HydrophobicContact CE1-CG2 3.68Å; E745-V802 HydrophobicContact CB-CG2 3.93Å; E745-V802 HydrophobicContact CG-CG2 4.06Å; I748-V802 HydrophobicContact CB-CG1 3.91Å; I748-V802 HydrophobicContact CG1-CG1 4.48Å; I748-V802 HydrophobicContact CG2-CG1 3.73Å; C799-V802 PolarHBondContact O-N 2.92Å; Y800-V802 PolarHBondContact O-N 3.26Å; Y800-V802 VanDerWaalsContact O-N 3.11Å; V802-R804 PolarHBondContact O-N 2.92Å |
| 803 | M | 84.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -81 | -8.4 | -174.3 | -67 | -63.3 | -174.1 | 0 | 0 | 114.9 | I748 L752 L784 C799 Y800 L805 F806 G807 L838 | I748-M803 HydrophobicContact CG2-CE 3.89Å; I748-M803 HydrophobicContact CG2-SD 4.39Å; L752-M803 HydrophobicContact CD1-CE 4.49Å; L784-M803 HydrophobicContact CD1-CE 4.25Å; C799-M803 WeakPolarHBondContact O-CB 3.36Å; C799-M803 WeakPolarHBondContact O-CG 3.39Å; C799-M803 PolarHBondContact O-N 2.81Å; Y800-M803 PolarHBondContact O-N 3.46Å; Y800-M803 VanDerWaalsContact O-N 3.16Å; M803-L805 VanDerWaalsContact C-N 3.33Å; M803-L805 PolarHBondContact O-N 3.41Å; M803-F806 VanDerWaalsContact O-CB 3.3Å; M803-F806 WeakPolarHBondContact O-CB 3.3Å; M803-F806 PolarHBondContact O-N 2.99Å; M803-F806 VanDerWaalsContact O-N 3.14Å; M803-F806 HydrophobicContact SD-CB 4.38Å; M803-F806 HydrophobicContact SD-CG 4.47Å; M803-G807 PolarHBondContact O-N 3.24Å; M803-L838 HydrophobicContact CB-CD1 4.36Å |
| 804 | R | 85.8 | Confident | 86.5 | Confident | 125 Ų | 125 | 40 Ų | 40 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.4 | -43 | -179.1 | 177.9 | -175.3 | 178.1 | -152.7 | -0.7 | 113.1 | Y800 V802 F806 K808 | Y800-R804 HydrophobicContact CD2-CB 4.39Å; Y800-R804 HydrophobicContact CE1-CB 4.44Å; Y800-R804 HydrophobicContact CE2-CB 3.95Å; Y800-R804 HydrophobicContact CE2-CG 4.1Å; Y800-R804 WeakPolarHBondContact O-CB 3.44Å; Y800-R804 PolarHBondContact O-N 3.11Å; V802-R804 PolarHBondContact O-N 2.92Å; R804-F806 VanDerWaalsContact C-N 3.33Å; R804-K808 PolarHBondContact O-N 3.4Å |
| 805 | L | 78.5 | Confident | 86.7 | Confident | 107 Ų | 107 | 40 Ų | 40 | 56% | 0.56 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -66.7 | -39.4 | 178.5 | -67.8 | 172.6 | 0 | 0 | 0 | 110.8 | M803 G809 | M803-L805 VanDerWaalsContact C-N 3.33Å; M803-L805 PolarHBondContact O-N 3.41Å; L805-G809 PolarHBondContact O-N 3.02Å |
| 806 | F | 82.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -51 | 174.7 | 172.8 | -86.5 | 0 | 0 | 0 | 111.7 | Y755 F756 I781 M803 R804 K808 G809 T810 L830 L834 | Y755-F806 AromaticContact CD1-CD2 3.64Å; Y755-F806 HydrophobicContact CD1-CD2 3.64Å; Y755-F806 AromaticContact CD1-CE2 3.53Å; Y755-F806 HydrophobicContact CD1-CE2 3.53Å; Y755-F806 AromaticContact CE1-CD2 3.31Å; Y755-F806 HydrophobicContact CE1-CD2 3.31Å; Y755-F806 AromaticContact CE1-CE2 3.02Å; Y755-F806 HydrophobicContact CE1-CE2 3.02Å; Y755-F806 HydrophobicContact CE1-CG 4.45Å; Y755-F806 AromaticContact CE1-CZ 3.99Å; Y755-F806 HydrophobicContact CE1-CZ 3.99Å; Y755-F806 HydrophobicContact CE2-CE2 4.19Å; Y755-F806 HydrophobicContact CG-CE2 4.3Å; Y755-F806 AromaticContact CZ-CE2 3.39Å; Y755-F806 AromaticContact CZ-CZ 3.98Å; F756-F806 HydrophobicContact CE1-CB 4.19Å; F756-F806 HydrophobicContact CZ-CB 4.47Å; I781-F806 HydrophobicContact CB-CZ 4.44Å; I781-F806 HydrophobicContact CD1-CD2 4.4Å; I781-F806 HydrophobicContact CD1-CE2 3.33Å; I781-F806 HydrophobicContact CD1-CZ 3.62Å; I781-F806 HydrophobicContact CG1-CE2 4.11Å; I781-F806 HydrophobicContact CG1-CZ 4.28Å; I781-F806 HydrophobicContact CG2-CE1 3.91Å; I781-F806 HydrophobicContact CG2-CE2 4.24Å; I781-F806 HydrophobicContact CG2-CZ 3.67Å; M803-F806 VanDerWaalsContact O-CB 3.3Å; M803-F806 WeakPolarHBondContact O-CB 3.3Å; M803-F806 PolarHBondContact O-N 2.99Å; M803-F806 VanDerWaalsContact O-N 3.14Å; M803-F806 HydrophobicContact SD-CB 4.38Å; M803-F806 HydrophobicContact SD-CG 4.47Å; R804-F806 VanDerWaalsContact C-N 3.33Å; F806-K808 VanDerWaalsContact C-N 3.35Å; F806-K808 PolarHBondContact O-N 3.26Å; F806-G809 PolarHBondContact O-N 3.33Å; F806-G809 VanDerWaalsContact O-N 3.15Å; F806-T810 WeakPolarHBondContact CE1-OG1 3.35Å; F806-T810 VanDerWaalsContact CZ-OG1 3.31Å; F806-T810 WeakPolarHBondContact CZ-OG1 3.48Å; F806-T810 WeakPolarHBondContact O-CB 3.46Å; F806-T810 PolarHBondContact O-N 3.39Å; F806-T810 PolarHBondContact O-OG1 3Å; F806-L830 HydrophobicContact CZ-CD1 4.22Å; F806-L830 HydrophobicContact CZ-CD2 4.26Å; F806-L834 HydrophobicContact CD1-CD1 3.77Å; F806-L834 HydrophobicContact CE1-CD1 3.94Å |
| 807 | G | 84.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M803 L811 | M803-G807 PolarHBondContact O-N 3.24Å; G807-L811 PolarHBondContact O-N 3.02Å |
| 808 | K | 84.6 | Confident | 86.3 | Confident | 107 Ų | 107 | 39 Ų | 39 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -69.3 | -39.9 | 174.9 | -71 | -171 | 172.4 | -163.9 | 0 | 112.6 | R804 F806 L811 S812 | R804-K808 PolarHBondContact O-N 3.4Å; F806-K808 VanDerWaalsContact C-N 3.35Å; F806-K808 PolarHBondContact O-N 3.26Å; K808-L811 PolarHBondContact O-N 2.96Å; K808-S812 PolarHBondContact O-N 3.44Å; K808-S812 VanDerWaalsContact O-N 3.13Å; K808-S812 PolarHBondContact O-OG 3.11Å |
| 809 | G | 87.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V759 L805 F806 L811 S812 L813 | V759-G809 VanDerWaalsContact CG1-CA 3.45Å; L805-G809 PolarHBondContact O-N 3.02Å; F806-G809 PolarHBondContact O-N 3.33Å; F806-G809 VanDerWaalsContact O-N 3.15Å; G809-L811 VanDerWaalsContact C-N 3.29Å; G809-L811 PolarHBondContact O-N 3Å; G809-S812 CarbonylContact O-C 3.45Å; G809-S812 WeakPolarHBondContact O-CA 3.48Å; G809-S812 WeakPolarHBondContact O-CB 3.4Å; G809-S812 PolarHBondContact O-N 3.18Å; G809-L813 WeakPolarHBondContact O-CG 3.28Å; G809-L813 PolarHBondContact O-N 3.24Å |
| 810 | T | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | 178.6 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | Y755 F806 S812 L813 L814 L827 L830 L831 | Y755-T810 WeakPolarHBondContact OH-CB 3.27Å; Y755-T810 WeakPolarHBondContact OH-CG2 3.33Å; Y755-T810 PolarHBondContact OH-OG1 3.27Å; F806-T810 WeakPolarHBondContact CE1-OG1 3.35Å; F806-T810 VanDerWaalsContact CZ-OG1 3.31Å; F806-T810 WeakPolarHBondContact CZ-OG1 3.48Å; F806-T810 WeakPolarHBondContact O-CB 3.46Å; F806-T810 PolarHBondContact O-N 3.39Å; F806-T810 PolarHBondContact O-OG1 3Å; T810-S812 VanDerWaalsContact C-N 3.32Å; T810-S812 PolarHBondContact O-N 2.63Å; T810-L813 PolarHBondContact O-N 3.41Å; T810-L814 PolarHBondContact O-N 3.44Å; T810-L827 HydrophobicContact CG2-CB 4.47Å; T810-L827 HydrophobicContact CG2-CD2 3.78Å; T810-L830 HydrophobicContact CG2-CB 4.26Å; T810-L831 HydrophobicContact CG2-CD1 4.26Å; T810-L831 HydrophobicContact CG2-CD2 4.07Å; T810-L831 HydrophobicContact CG2-CG 3.83Å |
| 811 | L | 89.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 174.2 | -176.3 | 59.4 | 0 | 0 | 0 | 112.3 | G807 K808 G809 L814 V815 L831 F846 Q849 L850 T853 | G807-L811 PolarHBondContact O-N 3.02Å; K808-L811 PolarHBondContact O-N 2.96Å; G809-L811 VanDerWaalsContact C-N 3.29Å; G809-L811 PolarHBondContact O-N 3Å; L811-L814 HydrophobicContact CD1-CD2 4.39Å; L811-L814 WeakPolarHBondContact O-CB 3.37Å; L811-L814 PolarHBondContact O-N 2.95Å; L811-V815 PolarHBondContact O-N 3.2Å; L811-L831 HydrophobicContact CD1-CD1 4.47Å; L811-F846 HydrophobicContact CB-CE2 4.42Å; L811-F846 HydrophobicContact CD2-CD2 4.43Å; L811-F846 HydrophobicContact CD2-CE2 3.99Å; L811-Q849 HydrophobicContact CD2-CB 4.12Å; L811-Q849 HydrophobicContact CD2-CG 3.78Å; L811-L850 HydrophobicContact CD1-CB 4.3Å; L811-L850 HydrophobicContact CD1-CD1 3.71Å; L811-T853 HydrophobicContact CD1-CG2 4.01Å |
| 812 | S | 88.6 | Confident | 85.5 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 37% | 0.371 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.8 | -38.7 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | K808 G809 T810 L814 V815 L816 | K808-S812 PolarHBondContact O-N 3.44Å; K808-S812 VanDerWaalsContact O-N 3.13Å; K808-S812 PolarHBondContact O-OG 3.11Å; G809-S812 CarbonylContact O-C 3.45Å; G809-S812 WeakPolarHBondContact O-CA 3.48Å; G809-S812 WeakPolarHBondContact O-CB 3.4Å; G809-S812 PolarHBondContact O-N 3.18Å; T810-S812 VanDerWaalsContact C-N 3.32Å; T810-S812 PolarHBondContact O-N 2.63Å; S812-L814 VanDerWaalsContact C-N 3.32Å; S812-L814 PolarHBondContact O-N 2.95Å; S812-V815 PolarHBondContact O-N 2.83Å; S812-L816 PolarHBondContact O-N 3.46Å; S812-L816 VanDerWaalsContact O-N 3.09Å |
| 813 | L | 89.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -35.1 | 173.7 | -63.5 | 179.8 | 0 | 0 | 0 | 112.3 | V758 V759 I774 G809 T810 V815 L816 Y817 L827 | V758-L813 HydrophobicContact CG1-CD1 3.98Å; V758-L813 HydrophobicContact CG1-CD2 3.97Å; V759-L813 HydrophobicContact CG2-CD1 3.97Å; I774-L813 HydrophobicContact CD1-CD1 4.28Å; G809-L813 WeakPolarHBondContact O-CG 3.28Å; G809-L813 PolarHBondContact O-N 3.24Å; T810-L813 PolarHBondContact O-N 3.41Å; L813-V815 VanDerWaalsContact C-N 3.29Å; L813-V815 PolarHBondContact O-N 2.91Å; L813-L816 HydrophobicContact CD2-CD2 4.42Å; L813-L816 PolarHBondContact O-N 3.38Å; L813-Y817 HydrophobicContact CB-CD2 4.27Å; L813-Y817 HydrophobicContact CB-CE2 4.3Å; L813-Y817 HydrophobicContact CD2-CE2 3.93Å; L813-Y817 WeakPolarHBondContact O-CD2 3.14Å; L813-Y817 PolarHBondContact O-N 2.95Å; L813-L827 HydrophobicContact CB-CD1 4.05Å; L813-L827 HydrophobicContact CB-CD2 4.16Å; L813-L827 HydrophobicContact CD1-CD2 4.46Å |
| 814 | L | 88.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 175.5 | -177.3 | 68.8 | 0 | 0 | 0 | 111.4 | T810 L811 S812 K818 V824 L827 L828 L831 L850 T853 L854 | T810-L814 PolarHBondContact O-N 3.44Å; L811-L814 HydrophobicContact CD1-CD2 4.39Å; L811-L814 WeakPolarHBondContact O-CB 3.37Å; L811-L814 PolarHBondContact O-N 2.95Å; S812-L814 VanDerWaalsContact C-N 3.32Å; S812-L814 PolarHBondContact O-N 2.95Å; L814-K818 PolarHBondContact O-N 3.48Å; L814-V824 HydrophobicContact CD1-CB 4.36Å; L814-V824 HydrophobicContact CD1-CG1 3.91Å; L814-V824 HydrophobicContact CD1-CG2 4.34Å; L814-L827 HydrophobicContact CB-CD1 4.46Å; L814-L827 HydrophobicContact CD1-CB 4.08Å; L814-L828 HydrophobicContact CD1-CD2 3.98Å; L814-L828 HydrophobicContact CD1-CG 3.98Å; L814-L828 HydrophobicContact CD2-CD2 3.71Å; L814-L831 HydrophobicContact CD2-CD1 3.84Å; L814-L850 HydrophobicContact CD2-CD1 4.46Å; L814-T853 HydrophobicContact CD2-CG2 3.98Å; L814-T853 HydrophobicContact CG-CG2 4.42Å; L814-L854 HydrophobicContact CD2-CD2 4.45Å |
| 815 | V | 86.7 | Confident | 85.9 | Confident | 79 Ų | 79 | 40.4 Ų | 40.4 | 48% | 0.479 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 111 | L811 S812 L813 T853 | L811-V815 PolarHBondContact O-N 3.2Å; S812-V815 PolarHBondContact O-N 2.83Å; L813-V815 VanDerWaalsContact C-N 3.29Å; L813-V815 PolarHBondContact O-N 2.91Å; V815-T853 HydrophobicContact CG2-CG2 3.57Å |
| 816 | L | 86.9 | Confident | 86.4 | Confident | 68 Ų | 68 | 36.1 Ų | 36.1 | 36% | 0.356 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.7 | -44.9 | -177 | -174 | 63.9 | 0 | 0 | 0 | 112.6 | Q763 S812 L813 | Q763-L816 HydrophobicContact CB-CD1 4.45Å; Q763-L816 HydrophobicContact CG-CD1 4.19Å; S812-L816 PolarHBondContact O-N 3.46Å; S812-L816 VanDerWaalsContact O-N 3.09Å; L813-L816 HydrophobicContact CD2-CD2 4.42Å; L813-L816 PolarHBondContact O-N 3.38Å |
| 817 | Y | 87.1 | Confident | 86.8 | Confident | 11 Ų | 11 | 36 Ų | 36 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 22.1 | -175.5 | -56 | -54 | 0 | 0 | 0 | 113.9 | V765 Y767 A770 I774 L813 Q819 H820 V824 L827 | V765-Y817 PolarHBondContact O-OH 3.16Å; Y767-Y817 HydrophobicContact CD2-CD1 4.18Å; A770-Y817 HydrophobicContact CB-CE1 4.38Å; A770-Y817 HydrophobicContact CB-CE2 3.88Å; A770-Y817 WeakPolarHBondContact CB-OH 3.42Å; I774-Y817 HydrophobicContact CD1-CD2 4.15Å; I774-Y817 HydrophobicContact CD1-CE2 3.92Å; L813-Y817 HydrophobicContact CB-CD2 4.27Å; L813-Y817 HydrophobicContact CB-CE2 4.3Å; L813-Y817 HydrophobicContact CD2-CE2 3.93Å; L813-Y817 WeakPolarHBondContact O-CD2 3.14Å; L813-Y817 PolarHBondContact O-N 2.95Å; Y817-Q819 PolarHBondContact O-N 3.45Å; Y817-H820 PolarHBondContact O-N 2.91Å; Y817-V824 WeakPolarHBondContact O-CG2 3.42Å; Y817-L827 HydrophobicContact CD2-CD1 4.4Å |
| 818 | K | 84.5 | Confident | 87 | Confident | 103 Ų | 103 | 36 Ų | 36 | 45% | 0.448 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -21.7 | -177.9 | 68.7 | -179.2 | -178.7 | -179.2 | 0 | 115.4 | L814 L857 | L814-K818 PolarHBondContact O-N 3.48Å; K818-L857 HydrophobicContact CB-CD1 3.93Å |
| 819 | Q | 83.3 | Confident | 87.2 | Confident | 126 Ų | 126 | 34.5 Ų | 34.5 | 59% | 0.589 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.7 | 179.8 | -54.1 | -167.7 | -47.5 | 0 | 0 | 113.2 | Y817 D862 | Y817-Q819 PolarHBondContact O-N 3.45Å; Q819-D862 WeakPolarHBondContact CG-OD2 3.34Å |
| 820 | H | 86.4 | Confident | 87.3 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 31% | 0.306 | 18% | 0.175 | S | C | . | . | trans | -113.8 | 93 | -175.9 | -59.5 | -75.3 | 0 | 0 | 0 | 110.9 | Y767 Y817 D822 C823 V824 | Y767-H820 AromaticContact CD1-CE1 3.67Å; Y767-H820 AromaticContact CD1-ND1 3.82Å; Y767-H820 AromaticContact CD1-NE2 3.9Å; Y767-H820 HydrophobicContact CD2-CB 3.74Å; Y767-H820 AromaticContact CD2-CD2 3.36Å; Y767-H820 WeakPolarHBondContact CD2-CD2 3.38Å; Y767-H820 AromaticContact CD2-CG 3.43Å; Y767-H820 VanDerWaalsContact CD2-CG 3.43Å; Y767-H820 AromaticContact CD2-ND1 3.97Å; Y767-H820 AromaticContact CD2-NE2 3.9Å; Y767-H820 AromaticContact CE1-CE1 3.97Å; Y767-H820 AromaticContact CE1-ND1 3.69Å; Y767-H820 HydrophobicContact CE2-CB 3.26Å; Y767-H820 AromaticContact CE2-CD2 3.83Å; Y767-H820 AromaticContact CE2-CG 3.36Å; Y767-H820 AromaticContact CE2-ND1 3.81Å; Y767-H820 AromaticContact CG-CD2 3.54Å; Y767-H820 AromaticContact CG-CE1 3.79Å; Y767-H820 AromaticContact CG-CG 3.81Å; Y767-H820 AromaticContact CG-ND1 3.96Å; Y767-H820 AromaticContact CG-NE2 3.54Å; Y767-H820 AromaticContact CZ-CG 3.71Å; Y767-H820 AromaticContact CZ-ND1 3.66Å; Y817-H820 PolarHBondContact O-N 2.91Å; H820-D822 VanDerWaalsContact C-N 3.26Å; H820-D822 PolarHBondContact O-N 2.86Å; H820-C823 HydrophobicContact CB-CB 4.42Å; H820-C823 PolarHBondContact O-N 2.99Å; H820-C823 VanDerWaalsContact O-N 3.13Å; H820-V824 WeakPolarHBondContact O-CG2 3.48Å; H820-V824 PolarHBondContact O-N 2.7Å | ||
| 821 | L | 82.7 | Confident | 87.3 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -32.2 | -170.5 | -65.4 | -179.8 | 0 | 0 | 0 | 114.1 | V824 Q825 F863 E873 A874 V877 | L821-V824 PolarHBondContact O-N 2.99Å; L821-Q825 PolarHBondContact O-N 3.39Å; L821-F863 HydrophobicContact CD2-CB 4.34Å; L821-F863 HydrophobicContact CD2-CD2 4.01Å; L821-E873 HydrophobicContact CB-CB 4.15Å; L821-A874 HydrophobicContact CD1-CB 3.89Å; L821-V877 HydrophobicContact CB-CG2 4.39Å; L821-V877 VanDerWaalsContact O-CG2 3.29Å; L821-V877 WeakPolarHBondContact O-CG2 3.36Å |
| 822 | D | 81.4 | Confident | 87.3 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 178.4 | 69.9 | -40.8 | 0 | 0 | 0 | 112.9 | Y767 K775 H820 | Y767-D822 PolarHBondContact OH-OD1 2.93Å; Y767-D822 PolarHBondContact OH-OD2 3.33Å; K775-D822 WeakPolarHBondContact CE-OD2 3.41Å; K775-D822 IonicContact NZ-OD2 3.9Å; K775-D822 PolarHBondContact NZ-OD2 3.03Å; H820-D822 VanDerWaalsContact C-N 3.26Å; H820-D822 PolarHBondContact O-N 2.86Å |
| 823 | C | 85.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -79.1 | -36.1 | 174.8 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | Y767 I774 H820 Q825 S826 L827 | Y767-C823 HydrophobicContact CD2-CB 4.48Å; Y767-C823 HydrophobicContact CE2-CB 3.84Å; I774-C823 VanDerWaalsContact CD1-SG 3.52Å; H820-C823 HydrophobicContact CB-CB 4.42Å; H820-C823 PolarHBondContact O-N 2.99Å; H820-C823 VanDerWaalsContact O-N 3.13Å; C823-Q825 VanDerWaalsContact C-N 3.28Å; C823-Q825 PolarHBondContact O-N 3.15Å; C823-S826 PolarHBondContact O-N 3.18Å; C823-L827 WeakPolarHBondContact O-CB 3.41Å; C823-L827 VanDerWaalsContact O-CG 3.24Å; C823-L827 WeakPolarHBondContact O-CG 3.32Å; C823-L827 PolarHBondContact O-N 3.41Å |
| 824 | V | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 173.2 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | L814 Y817 H820 L821 L827 L828 L857 V877 | L814-V824 HydrophobicContact CD1-CB 4.36Å; L814-V824 HydrophobicContact CD1-CG1 3.91Å; L814-V824 HydrophobicContact CD1-CG2 4.34Å; Y817-V824 WeakPolarHBondContact O-CG2 3.42Å; H820-V824 WeakPolarHBondContact O-CG2 3.48Å; H820-V824 PolarHBondContact O-N 2.7Å; L821-V824 PolarHBondContact O-N 2.99Å; V824-L827 PolarHBondContact O-N 3.37Å; V824-L828 HydrophobicContact CG1-CD1 3.8Å; V824-L828 HydrophobicContact CG1-CG 4.16Å; V824-L828 WeakPolarHBondContact O-CB 3.38Å; V824-L828 VanDerWaalsContact O-CG 3.28Å; V824-L828 WeakPolarHBondContact O-CG 3.49Å; V824-L828 PolarHBondContact O-N 3Å; V824-L857 HydrophobicContact CG1-CD1 4.15Å; V824-L857 HydrophobicContact CG1-CD2 3.67Å; V824-L857 HydrophobicContact CG2-CD1 4.33Å; V824-V877 HydrophobicContact CB-CG2 4.34Å; V824-V877 HydrophobicContact CG1-CG1 3.83Å; V824-V877 HydrophobicContact CG1-CG2 3.98Å |
| 825 | Q | 87.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 33.3 Ų | 33.3 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55.3 | -56 | 176.3 | -177.4 | -174.8 | -14.4 | 0 | 0 | 111.4 | L821 C823 L827 L828 E829 S876 V877 | L821-Q825 PolarHBondContact O-N 3.39Å; C823-Q825 VanDerWaalsContact C-N 3.28Å; C823-Q825 PolarHBondContact O-N 3.15Å; Q825-L827 VanDerWaalsContact C-N 3.3Å; Q825-L827 PolarHBondContact O-N 3.38Å; Q825-L828 PolarHBondContact O-N 3.46Å; Q825-E829 WeakPolarHBondContact O-CB 3.45Å; Q825-E829 PolarHBondContact O-N 3.27Å; Q825-S876 VanDerWaalsContact CD-CB 3.5Å; Q825-V877 HydrophobicContact CB-CG2 3.83Å |
| 826 | S | 88.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 12% | 0.119 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -37.2 | -179.1 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | C823 L830 | C823-S826 PolarHBondContact O-N 3.18Å; S826-L830 VanDerWaalsContact O-CG 3.25Å; S826-L830 WeakPolarHBondContact O-CG 3.41Å; S826-L830 PolarHBondContact O-N 3.49Å; S826-L830 VanDerWaalsContact O-N 3.08Å |
| 827 | L | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.8 | -39.6 | 177.4 | -68.3 | 169.9 | 0 | 0 | 0 | 112.2 | I774 T810 L813 L814 Y817 C823 V824 Q825 L830 L831 | I774-L827 HydrophobicContact CD1-CD2 4.32Å; I774-L827 HydrophobicContact CG2-CD2 3.87Å; I774-L827 HydrophobicContact CG2-CG 4.16Å; T810-L827 HydrophobicContact CG2-CB 4.47Å; T810-L827 HydrophobicContact CG2-CD2 3.78Å; L813-L827 HydrophobicContact CB-CD1 4.05Å; L813-L827 HydrophobicContact CB-CD2 4.16Å; L813-L827 HydrophobicContact CD1-CD2 4.46Å; L814-L827 HydrophobicContact CB-CD1 4.46Å; L814-L827 HydrophobicContact CD1-CB 4.08Å; Y817-L827 HydrophobicContact CD2-CD1 4.4Å; C823-L827 WeakPolarHBondContact O-CB 3.41Å; C823-L827 VanDerWaalsContact O-CG 3.24Å; C823-L827 WeakPolarHBondContact O-CG 3.32Å; C823-L827 PolarHBondContact O-N 3.41Å; V824-L827 PolarHBondContact O-N 3.37Å; Q825-L827 VanDerWaalsContact C-N 3.3Å; Q825-L827 PolarHBondContact O-N 3.38Å; L827-L830 PolarHBondContact O-N 2.82Å; L827-L831 WeakPolarHBondContact O-CD1 3Å; L827-L831 VanDerWaalsContact O-CG 3.31Å; L827-L831 WeakPolarHBondContact O-CG 3.43Å; L827-L831 PolarHBondContact O-N 3.2Å |
| 828 | L | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.8 | -73.9 | 178.6 | 0 | 0 | 0 | 112 | L814 V824 Q825 L830 L831 S832 L854 L857 V877 C880 | L814-L828 HydrophobicContact CD1-CD2 3.98Å; L814-L828 HydrophobicContact CD1-CG 3.98Å; L814-L828 HydrophobicContact CD2-CD2 3.71Å; V824-L828 HydrophobicContact CG1-CD1 3.8Å; V824-L828 HydrophobicContact CG1-CG 4.16Å; V824-L828 WeakPolarHBondContact O-CB 3.38Å; V824-L828 VanDerWaalsContact O-CG 3.28Å; V824-L828 WeakPolarHBondContact O-CG 3.49Å; V824-L828 PolarHBondContact O-N 3Å; Q825-L828 PolarHBondContact O-N 3.46Å; L828-L830 VanDerWaalsContact C-N 3.34Å; L828-L831 PolarHBondContact O-N 2.89Å; L828-S832 WeakPolarHBondContact O-CB 3.47Å; L828-S832 PolarHBondContact O-N 3.09Å; L828-L854 HydrophobicContact CD2-CD2 3.34Å; L828-L857 HydrophobicContact CD1-CD2 4.09Å; L828-V877 HydrophobicContact CD1-CG1 3.8Å; L828-C880 HydrophobicContact CB-CB 3.85Å; L828-C880 HydrophobicContact CD1-CB 4.41Å |
| 829 | E | 88.9 | Confident | 87.7 | Confident | 75 Ų | 75 | 24.8 Ų | 24.8 | 35% | 0.35 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -56.9 | -50.5 | 173.2 | -173.1 | 174.3 | -170.4 | 0 | 0 | 110.1 | Q825 L831 S832 H833 | Q825-E829 WeakPolarHBondContact O-CB 3.45Å; Q825-E829 PolarHBondContact O-N 3.27Å; E829-L831 VanDerWaalsContact C-N 3.34Å; E829-L831 PolarHBondContact O-N 3.48Å; E829-S832 WeakPolarHBondContact O-CB 3.44Å; E829-S832 PolarHBondContact O-N 2.81Å; E829-S832 VanDerWaalsContact O-N 3.09Å; E829-H833 PolarHBondContact O-CD2 2.87Å; E829-H833 VanDerWaalsContact O-CD2 3.23Å; E829-H833 PolarHBondContact O-N 3.28Å |
| 830 | L | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 175.9 | -74.4 | 169.2 | 0 | 0 | 0 | 113.3 | Y755 A778 I781 V782 F806 T810 S826 L827 L828 S832 L834 | Y755-L830 HydrophobicContact CE2-CD1 4.48Å; A778-L830 HydrophobicContact CB-CD1 3.86Å; A778-L830 HydrophobicContact CB-CD2 4.08Å; A778-L830 HydrophobicContact CB-CG 4Å; I781-L830 HydrophobicContact CB-CD2 3.6Å; I781-L830 HydrophobicContact CD1-CD1 4.47Å; I781-L830 HydrophobicContact CD1-CD2 4.09Å; I781-L830 HydrophobicContact CG1-CD2 4.48Å; I781-L830 HydrophobicContact CG2-CD2 3.61Å; V782-L830 HydrophobicContact CG2-CD2 3.96Å; F806-L830 HydrophobicContact CZ-CD1 4.22Å; F806-L830 HydrophobicContact CZ-CD2 4.26Å; T810-L830 HydrophobicContact CG2-CB 4.26Å; S826-L830 VanDerWaalsContact O-CG 3.25Å; S826-L830 WeakPolarHBondContact O-CG 3.41Å; S826-L830 PolarHBondContact O-N 3.49Å; S826-L830 VanDerWaalsContact O-N 3.08Å; L827-L830 PolarHBondContact O-N 2.82Å; L828-L830 VanDerWaalsContact C-N 3.34Å; L830-S832 VanDerWaalsContact C-N 3.33Å; L830-L834 VanDerWaalsContact O-CB 3.22Å; L830-L834 WeakPolarHBondContact O-CB 3.46Å; L830-L834 PolarHBondContact O-N 3.17Å |
| 831 | L | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -35.2 | 178.1 | -72.5 | 164 | 0 | 0 | 0 | 112 | T810 L811 L814 L827 L828 E829 L834 L835 F846 L850 | T810-L831 HydrophobicContact CG2-CD1 4.26Å; T810-L831 HydrophobicContact CG2-CD2 4.07Å; T810-L831 HydrophobicContact CG2-CG 3.83Å; L811-L831 HydrophobicContact CD1-CD1 4.47Å; L814-L831 HydrophobicContact CD2-CD1 3.84Å; L827-L831 WeakPolarHBondContact O-CD1 3Å; L827-L831 VanDerWaalsContact O-CG 3.31Å; L827-L831 WeakPolarHBondContact O-CG 3.43Å; L827-L831 PolarHBondContact O-N 3.2Å; L828-L831 PolarHBondContact O-N 2.89Å; E829-L831 VanDerWaalsContact C-N 3.34Å; E829-L831 PolarHBondContact O-N 3.48Å; L831-L834 PolarHBondContact O-N 3.28Å; L831-L835 WeakPolarHBondContact O-CG 3.08Å; L831-L835 PolarHBondContact O-N 3.13Å; L831-F846 HydrophobicContact CD2-CZ 4.12Å; L831-L850 HydrophobicContact CB-CD2 4.44Å; L831-L850 HydrophobicContact CD1-CD1 3.95Å |
| 832 | S | 88.4 | Confident | 88 | Confident | 9 Ų | 9 | 22.4 Ų | 22.4 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -52.7 | 175.7 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | L828 E829 L830 L834 L835 R836 S883 | L828-S832 WeakPolarHBondContact O-CB 3.47Å; L828-S832 PolarHBondContact O-N 3.09Å; E829-S832 WeakPolarHBondContact O-CB 3.44Å; E829-S832 PolarHBondContact O-N 2.81Å; E829-S832 VanDerWaalsContact O-N 3.09Å; L830-S832 VanDerWaalsContact C-N 3.33Å; S832-L834 VanDerWaalsContact C-N 3.3Å; S832-L834 PolarHBondContact O-N 3.33Å; S832-L835 PolarHBondContact O-N 3.4Å; S832-R836 WeakPolarHBondContact O-CB 3.35Å; S832-R836 PolarHBondContact O-N 3.34Å; S832-S883 PolarHBondContact OG-OG 3.09Å |
| 833 | H | 90.3 | Very high | 88.2 | Confident | 28 Ų | 28 | 21.6 Ų | 21.6 | 13% | 0.13 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 177.4 | -76.8 | -86.8 | 0 | 0 | 0 | 111.9 | V782 L785 D786 E829 R836 T837 | V782-H833 HydrophobicContact CG2-CB 4.49Å; L785-H833 HydrophobicContact CD1-CB 4.1Å; D786-H833 IonicContact OD1-CE1 3.64Å; D786-H833 PolarHBondContact OD1-CE1 2.88Å; D786-H833 IonicContact OD1-CG 2.67Å; D786-H833 IonicContact OD1-ND1 3.95Å; D786-H833 PolarHBondContact OD1-ND1 3.02Å; D786-H833 IonicContact OD2-CE1 2.72Å; D786-H833 PolarHBondContact OD2-CE1 3.46Å; D786-H833 IonicContact OD2-ND1 2.98Å; D786-H833 PolarHBondContact OD2-ND1 3.4Å; E829-H833 PolarHBondContact O-CD2 2.87Å; E829-H833 VanDerWaalsContact O-CD2 3.23Å; E829-H833 PolarHBondContact O-N 3.28Å; H833-R836 PolarHBondContact CE1-NH2 3.4Å; H833-R836 PolarHBondContact ND1-NH2 3.11Å; H833-R836 PolarHBondContact O-N 3.44Å; H833-T837 WeakPolarHBondContact O-CB 3.47Å; H833-T837 PolarHBondContact O-N 3.18Å; H833-T837 PolarHBondContact O-OG1 3.44Å |
| 834 | L | 90.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 177.5 | -178.8 | 151.3 | 0 | 0 | 0 | 112 | L785 F806 L830 L831 S832 L838 F842 F846 | L785-L834 HydrophobicContact CD1-CB 4.03Å; F806-L834 HydrophobicContact CD1-CD1 3.77Å; F806-L834 HydrophobicContact CE1-CD1 3.94Å; L830-L834 VanDerWaalsContact O-CB 3.22Å; L830-L834 WeakPolarHBondContact O-CB 3.46Å; L830-L834 PolarHBondContact O-N 3.17Å; L831-L834 PolarHBondContact O-N 3.28Å; S832-L834 VanDerWaalsContact C-N 3.3Å; S832-L834 PolarHBondContact O-N 3.33Å; L834-L838 WeakPolarHBondContact O-CA 3.27Å; L834-L838 WeakPolarHBondContact O-CB 2.79Å; L834-L838 PolarHBondContact O-N 3.09Å; L834-F842 HydrophobicContact CD1-CE2 3.99Å; L834-F842 HydrophobicContact CD1-CZ 3.92Å; L834-F842 HydrophobicContact CD2-CD2 3.56Å; L834-F842 HydrophobicContact CD2-CE1 4.34Å; L834-F842 HydrophobicContact CD2-CE2 3.3Å; L834-F842 HydrophobicContact CD2-CG 4.2Å; L834-F842 HydrophobicContact CD2-CZ 3.74Å; L834-F842 HydrophobicContact CG-CD2 4.39Å; L834-F842 HydrophobicContact CG-CE2 3.73Å; L834-F842 HydrophobicContact CG-CZ 4.15Å; L834-F846 HydrophobicContact CD2-CE1 4.01Å; L834-F846 HydrophobicContact CD2-CZ 4.36Å |
| 835 | L | 86.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -50.8 | 172.9 | -74.7 | 177.4 | 0 | 0 | 0 | 110.9 | L831 S832 T837 L838 I839 F846 L850 V884 T887 I888 Q891 | L831-L835 WeakPolarHBondContact O-CG 3.08Å; L831-L835 PolarHBondContact O-N 3.13Å; S832-L835 PolarHBondContact O-N 3.4Å; L835-T837 PolarHBondContact O-N 3.07Å; L835-T837 VanDerWaalsContact O-N 3.07Å; L835-L838 PolarHBondContact O-N 2.82Å; L835-I839 HydrophobicContact CD2-CB 4.4Å; L835-I839 HydrophobicContact CD2-CD1 4.28Å; L835-I839 HydrophobicContact CD2-CG1 4.03Å; L835-I839 WeakPolarHBondContact O-CA 3.38Å; L835-I839 WeakPolarHBondContact O-CB 3.48Å; L835-I839 PolarHBondContact O-N 3.1Å; L835-F846 HydrophobicContact CD2-CD1 4.35Å; L835-F846 HydrophobicContact CD2-CE1 4.24Å; L835-L850 HydrophobicContact CD1-CD2 3.48Å; L835-L850 VanDerWaalsContact CD1-CD2 3.48Å; L835-L850 HydrophobicContact CG-CD2 4.15Å; L835-V884 HydrophobicContact CD1-CG1 3.83Å; L835-T887 HydrophobicContact CB-CG2 4.1Å; L835-I888 HydrophobicContact CD1-CD1 4.23Å; L835-I888 HydrophobicContact CD1-CG1 3.96Å; L835-Q891 PolarHBondContact O-OE1 2.92Å |
| 836 | R | 87.7 | Confident | 88.2 | Confident | 75 Ų | 75 | 28.1 Ų | 28.1 | 28% | 0.283 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -52.9 | -38 | -178.3 | -171.6 | 174.3 | 70.9 | 172.9 | 2.3 | 112 | D786 E789 S832 H833 T887 Q891 | D786-R836 IonicContact OD1-CZ 2.74Å; D786-R836 IonicContact OD1-NH2 3.71Å; D786-R836 PolarHBondContact OD1-NH2 3.09Å; D786-R836 IonicContact OD2-NH2 2.71Å; D786-R836 PolarHBondContact OD2-NH2 3.17Å; E789-R836 VanDerWaalsContact CD-NE 3.3Å; E789-R836 HydrophobicContact CG-CG 4.3Å; E789-R836 WeakPolarHBondContact OE1-CD 3.2Å; E789-R836 VanDerWaalsContact OE1-CG 3.22Å; E789-R836 WeakPolarHBondContact OE1-CG 3.44Å; E789-R836 IonicContact OE1-CZ 2.69Å; E789-R836 IonicContact OE1-NE 2.66Å; E789-R836 PolarHBondContact OE1-NE 2.89Å; E789-R836 IonicContact OE2-CZ 3.67Å; E789-R836 IonicContact OE2-NE 3.57Å; E789-R836 PolarHBondContact OE2-NE 2.81Å; E789-R836 IonicContact OE2-NH1 3.92Å; E789-R836 IonicContact OE2-NH2 2.84Å; E789-R836 PolarHBondContact OE2-NH2 3.24Å; S832-R836 WeakPolarHBondContact O-CB 3.35Å; S832-R836 PolarHBondContact O-N 3.34Å; H833-R836 PolarHBondContact CE1-NH2 3.4Å; H833-R836 PolarHBondContact ND1-NH2 3.11Å; H833-R836 PolarHBondContact O-N 3.44Å; R836-T887 HydrophobicContact CB-CG2 3.93Å; R836-Q891 PolarHBondContact O-NE2 3.39Å; R836-Q891 PolarHBondContact O-OE1 3Å |
| 837 | T | 88.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -88 | -42.9 | -179.1 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | L785 I788 K796 H833 L835 | L785-T837 HydrophobicContact CD2-CG2 4.36Å; L785-T837 WeakPolarHBondContact O-CG2 3.5Å; L785-T837 PolarHBondContact O-OG1 3.14Å; I788-T837 HydrophobicContact CD1-CG2 3.93Å; I788-T837 HydrophobicContact CG1-CG2 3.61Å; K796-T837 WeakPolarHBondContact CD-O 3.14Å; K796-T837 WeakPolarHBondContact CE-O 3.34Å; K796-T837 PolarHBondContact NZ-O 3.48Å; K796-T837 VanDerWaalsContact NZ-O 3.08Å; H833-T837 WeakPolarHBondContact O-CB 3.47Å; H833-T837 PolarHBondContact O-N 3.18Å; H833-T837 PolarHBondContact O-OG1 3.44Å; L835-T837 PolarHBondContact O-N 3.07Å; L835-T837 VanDerWaalsContact O-N 3.07Å |
| 838 | L | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -124.6 | 15.7 | -164.5 | -59.1 | 177.8 | 0 | 0 | 0 | 115.4 | L785 K796 M803 L834 L835 M840 Q841 F842 | L785-L838 HydrophobicContact CD2-CD1 4.03Å; L785-L838 HydrophobicContact CD2-CG 4.46Å; K796-L838 HydrophobicContact CB-CD2 3.84Å; K796-L838 HydrophobicContact CG-CD2 4.23Å; K796-L838 WeakPolarHBondContact O-CD2 3.26Å; M803-L838 HydrophobicContact CB-CD1 4.36Å; L834-L838 WeakPolarHBondContact O-CA 3.27Å; L834-L838 WeakPolarHBondContact O-CB 2.79Å; L834-L838 PolarHBondContact O-N 3.09Å; L835-L838 PolarHBondContact O-N 2.82Å; L838-M840 PolarHBondContact O-N 2.9Å; L838-M840 VanDerWaalsContact O-N 3.1Å; L838-Q841 PolarHBondContact O-N 3.29Å; L838-Q841 PolarHBondContact O-OE1 3.2Å; L838-F842 HydrophobicContact CB-CD2 3.95Å; L838-F842 HydrophobicContact CB-CE2 4.07Å; L838-F842 HydrophobicContact CD1-CE2 4.24Å; L838-F842 PolarHBondContact O-N 3.35Å; L838-F842 VanDerWaalsContact O-N 3.17Å |
| 839 | I | 86.6 | Confident | 87.7 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -51.3 | -40.5 | -176.9 | -166.2 | 162.7 | 0 | 0 | 0 | 113 | L835 Q841 F842 G843 Q891 F896 | L835-I839 HydrophobicContact CD2-CB 4.4Å; L835-I839 HydrophobicContact CD2-CD1 4.28Å; L835-I839 HydrophobicContact CD2-CG1 4.03Å; L835-I839 WeakPolarHBondContact O-CA 3.38Å; L835-I839 WeakPolarHBondContact O-CB 3.48Å; L835-I839 PolarHBondContact O-N 3.1Å; I839-Q841 VanDerWaalsContact C-N 3.26Å; I839-Q841 PolarHBondContact O-N 3.41Å; I839-F842 PolarHBondContact O-N 2.86Å; I839-G843 PolarHBondContact O-N 3.15Å; I839-Q891 HydrophobicContact CD1-CB 4.44Å; I839-Q891 HydrophobicContact CG2-CB 4.13Å; I839-F896 HydrophobicContact CD1-CD1 4.31Å; I839-F896 HydrophobicContact CD1-CE1 4.11Å; I839-F896 HydrophobicContact CD1-CZ 4.5Å; I839-F896 HydrophobicContact CG1-CD1 4.36Å; I839-F896 HydrophobicContact CG1-CE1 3.67Å; I839-F896 HydrophobicContact CG1-CZ 3.77Å |
| 840 | M | 84.5 | Confident | 87.6 | Confident | 99 Ų | 99 | 32.7 Ų | 32.7 | 49% | 0.488 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67 | -29.3 | -176.5 | -65.9 | -60.5 | -63.7 | 0 | 0 | 112.5 | L838 F896 | L838-M840 PolarHBondContact O-N 2.9Å; L838-M840 VanDerWaalsContact O-N 3.1Å; M840-F896 HydrophobicContact CE-CE2 4.49Å; M840-F896 HydrophobicContact SD-CD2 4.36Å; M840-F896 HydrophobicContact SD-CE2 3.61Å; M840-F896 HydrophobicContact SD-CZ 4.48Å |
| 841 | Q | 87.8 | Confident | 87.2 | Confident | 47 Ų | 47 | 33 Ų | 33 | 22% | 0.22 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -84.9 | -36.6 | -178.6 | -68 | 73.4 | 12.3 | 0 | 0 | 111.7 | Y800 L838 I839 | Y800-Q841 HydrophobicContact CD1-CB 3.99Å; Y800-Q841 HydrophobicContact CD2-CB 3.54Å; Y800-Q841 HydrophobicContact CE1-CB 4.43Å; Y800-Q841 HydrophobicContact CE2-CB 4.07Å; Y800-Q841 HydrophobicContact CG-CB 3.49Å; Y800-Q841 VanDerWaalsContact CG-CB 3.49Å; Y800-Q841 HydrophobicContact CG-CG 4.15Å; Y800-Q841 PolarHBondContact OH-O 2.71Å; L838-Q841 PolarHBondContact O-N 3.29Å; L838-Q841 PolarHBondContact O-OE1 3.2Å; I839-Q841 VanDerWaalsContact C-N 3.26Å; I839-Q841 PolarHBondContact O-N 3.41Å |
| 842 | F | 86.7 | Confident | 86.9 | Confident | 20 Ų | 20 | 36 Ų | 36 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.9 | -34.8 | 174.2 | -85.3 | -83.9 | 0 | 0 | 0 | 112.8 | Y800 L834 L838 I839 F846 | Y800-F842 AromaticContact CD2-CD2 3.92Å; Y800-F842 HydrophobicContact CD2-CD2 3.92Å; Y800-F842 AromaticContact CD2-CE2 3.75Å; Y800-F842 HydrophobicContact CD2-CE2 3.75Å; Y800-F842 HydrophobicContact CD2-CG 4.43Å; Y800-F842 HydrophobicContact CD2-CZ 4.15Å; Y800-F842 AromaticContact CE2-CD1 3.98Å; Y800-F842 HydrophobicContact CE2-CD1 3.98Å; Y800-F842 AromaticContact CE2-CD2 3.84Å; Y800-F842 HydrophobicContact CE2-CD2 3.84Å; Y800-F842 HydrophobicContact CE2-CE1 4.03Å; Y800-F842 AromaticContact CE2-CE2 3.88Å; Y800-F842 HydrophobicContact CE2-CE2 3.88Å; Y800-F842 AromaticContact CE2-CG 3.89Å; Y800-F842 HydrophobicContact CE2-CG 3.89Å; Y800-F842 AromaticContact CE2-CZ 3.98Å; Y800-F842 HydrophobicContact CE2-CZ 3.98Å; L834-F842 HydrophobicContact CD1-CE2 3.99Å; L834-F842 HydrophobicContact CD1-CZ 3.92Å; L834-F842 HydrophobicContact CD2-CD2 3.56Å; L834-F842 HydrophobicContact CD2-CE1 4.34Å; L834-F842 HydrophobicContact CD2-CE2 3.3Å; L834-F842 HydrophobicContact CD2-CG 4.2Å; L834-F842 HydrophobicContact CD2-CZ 3.74Å; L834-F842 HydrophobicContact CG-CD2 4.39Å; L834-F842 HydrophobicContact CG-CE2 3.73Å; L834-F842 HydrophobicContact CG-CZ 4.15Å; L838-F842 HydrophobicContact CB-CD2 3.95Å; L838-F842 HydrophobicContact CB-CE2 4.07Å; L838-F842 HydrophobicContact CD1-CE2 4.24Å; L838-F842 PolarHBondContact O-N 3.35Å; L838-F842 VanDerWaalsContact O-N 3.17Å; I839-F842 PolarHBondContact O-N 2.86Å; F842-F846 HydrophobicContact CB-CB 4.06Å; F842-F846 HydrophobicContact CB-CD1 3.71Å; F842-F846 HydrophobicContact CB-CE1 4.45Å; F842-F846 HydrophobicContact CB-CG 4.02Å; F842-F846 HydrophobicContact CD1-CB 4.27Å; F842-F846 AromaticContact CD1-CD1 3.71Å; F842-F846 HydrophobicContact CD1-CD1 3.71Å; F842-F846 AromaticContact CD1-CD2 3.85Å; F842-F846 HydrophobicContact CD1-CD2 3.85Å; F842-F846 AromaticContact CD1-CE1 3.95Å; F842-F846 HydrophobicContact CD1-CE1 3.95Å; F842-F846 HydrophobicContact CD1-CE2 4.08Å; F842-F846 AromaticContact CD1-CG 3.65Å; F842-F846 HydrophobicContact CD1-CG 3.65Å; F842-F846 HydrophobicContact CD1-CZ 4.12Å; F842-F846 HydrophobicContact CE1-CD2 4.39Å; F842-F846 HydrophobicContact CE1-CE1 4.46Å; F842-F846 HydrophobicContact CE1-CE2 4.23Å; F842-F846 HydrophobicContact CE1-CZ 4.27Å; F842-F846 AromaticContact CG-CD1 3.86Å; F842-F846 HydrophobicContact CG-CD1 3.86Å; F842-F846 HydrophobicContact CG-CE1 4.18Å; F842-F846 HydrophobicContact CG-CG 4.17Å |
| 843 | G | 86.6 | Confident | 86.8 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | 78.5 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I839 D845 F846 T847 | I839-G843 PolarHBondContact O-N 3.15Å; G843-D845 PolarHBondContact O-N 3.38Å; G843-F846 PolarHBondContact O-N 3.3Å; G843-T847 PolarHBondContact O-N 2.82Å; G843-T847 PolarHBondContact O-OG1 3.4Å |
| 844 | V | 85 | Confident | 86.4 | Confident | 40 Ų | 40 | 35.2 Ų | 35.2 | 24% | 0.242 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | -169 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | F846 T847 K848 K895 F896 L899 | V844-F846 PolarHBondContact O-N 3.1Å; V844-T847 PolarHBondContact O-N 3.41Å; V844-K848 WeakPolarHBondContact O-CB 3.39Å; V844-K848 PolarHBondContact O-N 3Å; V844-K895 HydrophobicContact CG2-CB 4.43Å; V844-F896 HydrophobicContact CG2-CD1 4.03Å; V844-F896 HydrophobicContact CG2-CE1 4Å; V844-F896 HydrophobicContact CG2-CG 4.35Å; V844-F896 HydrophobicContact CG2-CZ 4.3Å; V844-L899 HydrophobicContact CG1-CD1 3.8Å; V844-L899 HydrophobicContact CG1-CD2 3.93Å; V844-L899 HydrophobicContact CG1-CG 3.82Å |
| 845 | D | 86.6 | Confident | 85.9 | Confident | 140 Ų | 140 | 39.3 Ų | 39.3 | 75% | 0.749 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -64.5 | -40.3 | -176.3 | -61.9 | -36.9 | 0 | 0 | 0 | 112.4 | G843 K848 Q849 | G843-D845 PolarHBondContact O-N 3.38Å; D845-K848 PolarHBondContact O-N 3.19Å; D845-Q849 PolarHBondContact O-N 3.23Å |
| 846 | F | 88.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 176.2 | 176.5 | -96.9 | 0 | 0 | 0 | 111.1 | L811 L831 L834 L835 F842 G843 V844 K848 Q849 L850 | L811-F846 HydrophobicContact CB-CE2 4.42Å; L811-F846 HydrophobicContact CD2-CD2 4.43Å; L811-F846 HydrophobicContact CD2-CE2 3.99Å; L831-F846 HydrophobicContact CD2-CZ 4.12Å; L834-F846 HydrophobicContact CD2-CE1 4.01Å; L834-F846 HydrophobicContact CD2-CZ 4.36Å; L835-F846 HydrophobicContact CD2-CD1 4.35Å; L835-F846 HydrophobicContact CD2-CE1 4.24Å; F842-F846 HydrophobicContact CB-CB 4.06Å; F842-F846 HydrophobicContact CB-CD1 3.71Å; F842-F846 HydrophobicContact CB-CE1 4.45Å; F842-F846 HydrophobicContact CB-CG 4.02Å; F842-F846 HydrophobicContact CD1-CB 4.27Å; F842-F846 AromaticContact CD1-CD1 3.71Å; F842-F846 HydrophobicContact CD1-CD1 3.71Å; F842-F846 AromaticContact CD1-CD2 3.85Å; F842-F846 HydrophobicContact CD1-CD2 3.85Å; F842-F846 AromaticContact CD1-CE1 3.95Å; F842-F846 HydrophobicContact CD1-CE1 3.95Å; F842-F846 HydrophobicContact CD1-CE2 4.08Å; F842-F846 AromaticContact CD1-CG 3.65Å; F842-F846 HydrophobicContact CD1-CG 3.65Å; F842-F846 HydrophobicContact CD1-CZ 4.12Å; F842-F846 HydrophobicContact CE1-CD2 4.39Å; F842-F846 HydrophobicContact CE1-CE1 4.46Å; F842-F846 HydrophobicContact CE1-CE2 4.23Å; F842-F846 HydrophobicContact CE1-CZ 4.27Å; F842-F846 AromaticContact CG-CD1 3.86Å; F842-F846 HydrophobicContact CG-CD1 3.86Å; F842-F846 HydrophobicContact CG-CE1 4.18Å; F842-F846 HydrophobicContact CG-CG 4.17Å; G843-F846 PolarHBondContact O-N 3.3Å; V844-F846 PolarHBondContact O-N 3.1Å; F846-K848 PolarHBondContact O-N 3.26Å; F846-Q849 PolarHBondContact O-N 3.03Å; F846-Q849 VanDerWaalsContact O-N 3.15Å; F846-L850 PolarHBondContact O-N 3.08Å |
| 847 | T | 85 | Confident | 85.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 177.5 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | G843 V844 L850 S851 I888 L899 | G843-T847 PolarHBondContact O-N 2.82Å; G843-T847 PolarHBondContact O-OG1 3.4Å; V844-T847 PolarHBondContact O-N 3.41Å; T847-L850 PolarHBondContact O-N 3.45Å; T847-S851 PolarHBondContact O-N 3.48Å; T847-I888 HydrophobicContact CG2-CB 4.39Å; T847-I888 HydrophobicContact CG2-CD1 3.55Å; T847-I888 HydrophobicContact CG2-CG1 3.6Å; T847-I888 HydrophobicContact CG2-CG2 3.9Å; T847-L899 HydrophobicContact CG2-CD1 3.74Å |
| 848 | K | 84.6 | Confident | 84.7 | Confident | 83 Ų | 83 | 41 Ų | 41 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 173.3 | -172.2 | 170.1 | -175 | 152 | 0 | 112.5 | V844 D845 F846 L850 S851 C852 L899 E902 | V844-K848 WeakPolarHBondContact O-CB 3.39Å; V844-K848 PolarHBondContact O-N 3Å; D845-K848 PolarHBondContact O-N 3.19Å; F846-K848 PolarHBondContact O-N 3.26Å; K848-L850 VanDerWaalsContact C-N 3.27Å; K848-L850 PolarHBondContact O-N 3.27Å; K848-S851 WeakPolarHBondContact CA-OG 2.74Å; K848-S851 PolarHBondContact O-N 3.15Å; K848-S851 PolarHBondContact O-OG 3.25Å; K848-C852 PolarHBondContact O-N 2.94Å; K848-C852 PolarHBondContact O-SG 3.37Å; K848-C852 VanDerWaalsContact O-SG 3.36Å; K848-L899 HydrophobicContact CB-CD2 3.84Å; K848-L899 HydrophobicContact CD-CD2 4.23Å; K848-L899 HydrophobicContact CG-CD2 4.11Å; K848-E902 VanDerWaalsContact CE-OE1 3.27Å; K848-E902 WeakPolarHBondContact CE-OE1 3.35Å; K848-E902 VanDerWaalsContact CE-OE2 3.31Å; K848-E902 WeakPolarHBondContact CE-OE2 3.46Å; K848-E902 IonicContact NZ-OE1 3.63Å; K848-E902 PolarHBondContact NZ-OE1 3.14Å; K848-E902 IonicContact NZ-OE2 3.56Å |
| 849 | Q | 88.1 | Confident | 84.1 | Confident | 105 Ų | 105 | 44.5 Ų | 44.5 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.9 | -168.2 | -174.8 | -7.2 | 0 | 0 | 111.4 | L811 D845 F846 C852 T853 | L811-Q849 HydrophobicContact CD2-CB 4.12Å; L811-Q849 HydrophobicContact CD2-CG 3.78Å; D845-Q849 PolarHBondContact O-N 3.23Å; F846-Q849 PolarHBondContact O-N 3.03Å; F846-Q849 VanDerWaalsContact O-N 3.15Å; Q849-C852 PolarHBondContact O-N 3.23Å; Q849-T853 WeakPolarHBondContact O-CB 3.22Å; Q849-T853 PolarHBondContact O-N 3.39Å; Q849-T853 PolarHBondContact O-OG1 3.07Å |
| 850 | L | 87.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 174.5 | 175.3 | 57.6 | 0 | 0 | 0 | 111.5 | L811 L814 L831 L835 F846 T847 K848 C852 T853 L854 V884 | L811-L850 HydrophobicContact CD1-CB 4.3Å; L811-L850 HydrophobicContact CD1-CD1 3.71Å; L814-L850 HydrophobicContact CD2-CD1 4.46Å; L831-L850 HydrophobicContact CB-CD2 4.44Å; L831-L850 HydrophobicContact CD1-CD1 3.95Å; L835-L850 HydrophobicContact CD1-CD2 3.48Å; L835-L850 VanDerWaalsContact CD1-CD2 3.48Å; L835-L850 HydrophobicContact CG-CD2 4.15Å; F846-L850 PolarHBondContact O-N 3.08Å; T847-L850 PolarHBondContact O-N 3.45Å; K848-L850 VanDerWaalsContact C-N 3.27Å; K848-L850 PolarHBondContact O-N 3.27Å; L850-C852 VanDerWaalsContact C-N 3.29Å; L850-C852 PolarHBondContact O-N 3.05Å; L850-T853 WeakPolarHBondContact O-CB 3.37Å; L850-T853 PolarHBondContact O-N 3.31Å; L850-T853 VanDerWaalsContact O-N 3.07Å; L850-L854 HydrophobicContact CD1-CD1 4.34Å; L850-L854 HydrophobicContact CD1-CD2 4.17Å; L850-L854 HydrophobicContact CD1-CG 3.93Å; L850-L854 HydrophobicContact CG-CD1 4.32Å; L850-L854 HydrophobicContact CG-CG 4.32Å; L850-L854 WeakPolarHBondContact O-CB 3.26Å; L850-L854 VanDerWaalsContact O-CG 3.27Å; L850-L854 WeakPolarHBondContact O-CG 3.13Å; L850-L854 PolarHBondContact O-N 2.97Å; L850-V884 HydrophobicContact CD2-CG1 3.98Å; L850-V884 HydrophobicContact CG-CG1 4.43Å |
| 851 | S | 81.9 | Confident | 83.2 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 178.2 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | T847 K848 F855 | T847-S851 PolarHBondContact O-N 3.48Å; K848-S851 WeakPolarHBondContact CA-OG 2.74Å; K848-S851 PolarHBondContact O-N 3.15Å; K848-S851 PolarHBondContact O-OG 3.25Å; S851-F855 PolarHBondContact O-N 2.94Å |
| 852 | C | 84.1 | Confident | 82.5 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 172 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | K848 Q849 L850 L854 F855 D856 | K848-C852 PolarHBondContact O-N 2.94Å; K848-C852 PolarHBondContact O-SG 3.37Å; K848-C852 VanDerWaalsContact O-SG 3.36Å; Q849-C852 PolarHBondContact O-N 3.23Å; L850-C852 VanDerWaalsContact C-N 3.29Å; L850-C852 PolarHBondContact O-N 3.05Å; C852-L854 VanDerWaalsContact C-N 3.3Å; C852-L854 PolarHBondContact O-N 2.9Å; C852-F855 VanDerWaalsContact O-CB 3.29Å; C852-F855 WeakPolarHBondContact O-CB 3.35Å; C852-F855 PolarHBondContact O-N 2.98Å; C852-F855 VanDerWaalsContact O-N 3.15Å; C852-D856 PolarHBondContact O-N 2.82Å |
| 853 | T | 85 | Confident | 82 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | L811 L814 V815 Q849 L850 D856 L857 | L811-T853 HydrophobicContact CD1-CG2 4.01Å; L814-T853 HydrophobicContact CD2-CG2 3.98Å; L814-T853 HydrophobicContact CG-CG2 4.42Å; V815-T853 HydrophobicContact CG2-CG2 3.57Å; Q849-T853 WeakPolarHBondContact O-CB 3.22Å; Q849-T853 PolarHBondContact O-N 3.39Å; Q849-T853 PolarHBondContact O-OG1 3.07Å; L850-T853 WeakPolarHBondContact O-CB 3.37Å; L850-T853 PolarHBondContact O-N 3.31Å; L850-T853 VanDerWaalsContact O-N 3.07Å; T853-D856 PolarHBondContact O-N 2.98Å; T853-L857 PolarHBondContact O-N 2.64Å |
| 854 | L | 82.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 173.3 | -75.3 | -168.9 | 0 | 0 | 0 | 111.6 | L814 L828 L850 C852 D856 L857 C858 F881 V884 L885 L906 | L814-L854 HydrophobicContact CD2-CD2 4.45Å; L828-L854 HydrophobicContact CD2-CD2 3.34Å; L850-L854 HydrophobicContact CD1-CD1 4.34Å; L850-L854 HydrophobicContact CD1-CD2 4.17Å; L850-L854 HydrophobicContact CD1-CG 3.93Å; L850-L854 HydrophobicContact CG-CD1 4.32Å; L850-L854 HydrophobicContact CG-CG 4.32Å; L850-L854 WeakPolarHBondContact O-CB 3.26Å; L850-L854 VanDerWaalsContact O-CG 3.27Å; L850-L854 WeakPolarHBondContact O-CG 3.13Å; L850-L854 PolarHBondContact O-N 2.97Å; C852-L854 VanDerWaalsContact C-N 3.3Å; C852-L854 PolarHBondContact O-N 2.9Å; L854-D856 VanDerWaalsContact C-N 3.32Å; L854-D856 PolarHBondContact O-N 3.38Å; L854-L857 PolarHBondContact O-N 3.31Å; L854-C858 WeakPolarHBondContact O-CB 3.23Å; L854-C858 PolarHBondContact O-N 3.25Å; L854-F881 HydrophobicContact CB-CD2 4.21Å; L854-F881 HydrophobicContact CB-CE2 3.3Å; L854-F881 HydrophobicContact CB-CZ 3.52Å; L854-F881 HydrophobicContact CD1-CD2 4.35Å; L854-F881 HydrophobicContact CD1-CE2 4.13Å; L854-F881 HydrophobicContact CD1-CZ 4.32Å; L854-F881 HydrophobicContact CD2-CD2 3.68Å; L854-F881 HydrophobicContact CD2-CE2 3.63Å; L854-F881 HydrophobicContact CG-CD2 4.27Å; L854-F881 HydrophobicContact CG-CE2 3.83Å; L854-F881 HydrophobicContact CG-CZ 4.31Å; L854-F881 WeakPolarHBondContact O-CE2 3.26Å; L854-F881 WeakPolarHBondContact O-CZ 3.42Å; L854-V884 HydrophobicContact CD1-CB 4.27Å; L854-V884 HydrophobicContact CD1-CG1 3.68Å; L854-L885 HydrophobicContact CD1-CD2 4.01Å; L854-L906 HydrophobicContact CB-CD2 4.47Å |
| 855 | F | 81 | Confident | 81 | Confident | 87 Ų | 87 | 46.8 Ų | 46.8 | 38% | 0.382 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56 | -48.8 | 172.8 | -173.7 | -79.8 | 0 | 0 | 0 | 111.3 | S851 C852 L857 C858 T859 L906 P910 | S851-F855 PolarHBondContact O-N 2.94Å; C852-F855 VanDerWaalsContact O-CB 3.29Å; C852-F855 WeakPolarHBondContact O-CB 3.35Å; C852-F855 PolarHBondContact O-N 2.98Å; C852-F855 VanDerWaalsContact O-N 3.15Å; F855-L857 PolarHBondContact O-N 3.28Å; F855-C858 PolarHBondContact O-N 3.46Å; F855-T859 HydrophobicContact CD1-CG2 4.32Å; F855-T859 HydrophobicContact CE1-CG2 4Å; F855-T859 PolarHBondContact O-N 3.48Å; F855-L906 HydrophobicContact CB-CD1 3.77Å; F855-L906 HydrophobicContact CD2-CD1 3.49Å; F855-L906 VanDerWaalsContact CD2-CD1 3.49Å; F855-L906 HydrophobicContact CE2-CD1 4.45Å; F855-L906 HydrophobicContact CG-CD1 3.97Å; F855-P910 HydrophobicContact CD2-CG 3.73Å; F855-P910 HydrophobicContact CE2-CG 3.21Å; F855-P910 HydrophobicContact CZ-CG 3.68Å |
| 856 | D | 82.4 | Confident | 80.5 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.9 | -43 | -179.6 | -68.3 | -19.8 | 0 | 0 | 0 | 111.8 | C852 T853 L854 C858 T859 S860 | C852-D856 PolarHBondContact O-N 2.82Å; T853-D856 PolarHBondContact O-N 2.98Å; L854-D856 VanDerWaalsContact C-N 3.32Å; L854-D856 PolarHBondContact O-N 3.38Å; D856-C858 PolarHBondContact O-N 2.61Å; D856-T859 PolarHBondContact O-N 2.92Å; D856-T859 PolarHBondContact O-OG1 2.91Å; D856-S860 PolarHBondContact O-N 2.89Å |
| 857 | L | 81.2 | Confident | 79.8 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 176 | -171.6 | 77.3 | 0 | 0 | 0 | 111.8 | K818 V824 L828 T853 L854 F855 T859 S860 V877 | K818-L857 HydrophobicContact CB-CD1 3.93Å; V824-L857 HydrophobicContact CG1-CD1 4.15Å; V824-L857 HydrophobicContact CG1-CD2 3.67Å; V824-L857 HydrophobicContact CG2-CD1 4.33Å; L828-L857 HydrophobicContact CD1-CD2 4.09Å; T853-L857 PolarHBondContact O-N 2.64Å; L854-L857 PolarHBondContact O-N 3.31Å; F855-L857 PolarHBondContact O-N 3.28Å; L857-T859 PolarHBondContact O-N 2.85Å; L857-S860 VanDerWaalsContact O-CB 3.3Å; L857-S860 WeakPolarHBondContact O-CB 3.04Å; L857-S860 PolarHBondContact O-N 2.85Å; L857-S860 PolarHBondContact O-OG 3.34Å; L857-V877 HydrophobicContact CD2-CG1 4.36Å |
| 858 | C | 73.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -20.2 | 176.6 | -93.9 | 0 | 0 | 0 | 0 | 113.6 | L854 F855 D856 F864 F881 P910 | L854-C858 WeakPolarHBondContact O-CB 3.23Å; L854-C858 PolarHBondContact O-N 3.25Å; F855-C858 PolarHBondContact O-N 3.46Å; D856-C858 PolarHBondContact O-N 2.61Å; C858-F864 WeakPolarHBondContact O-CE2 3.31Å; C858-F881 HydrophobicContact CB-CE2 4.45Å; C858-F881 HydrophobicContact CB-CZ 4.29Å; C858-F881 WeakPolarHBondContact SG-CE2 3.21Å; C858-F881 WeakPolarHBondContact SG-CZ 3.3Å; C858-P910 HydrophobicContact CB-CB 4.41Å |
| 859 | T | 76.1 | Confident | 78.8 | Confident | 74 Ų | 74 | 45.2 Ų | 45.2 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -3.5 | 175.9 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | F855 D856 L857 | F855-T859 HydrophobicContact CD1-CG2 4.32Å; F855-T859 HydrophobicContact CE1-CG2 4Å; F855-T859 PolarHBondContact O-N 3.48Å; D856-T859 PolarHBondContact O-N 2.92Å; D856-T859 PolarHBondContact O-OG1 2.91Å; L857-T859 PolarHBondContact O-N 2.85Å |
| 860 | S | 79.3 | Confident | 78.1 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 12% | 0.119 | 26% | 0.264 | C | S | . | . | trans | -71.5 | 137.7 | -178.6 | 73 | 0 | 0 | 0 | 0 | 112.5 | D856 L857 D862 F863 F864 | D856-S860 PolarHBondContact O-N 2.89Å; L857-S860 VanDerWaalsContact O-CB 3.3Å; L857-S860 WeakPolarHBondContact O-CB 3.04Å; L857-S860 PolarHBondContact O-N 2.85Å; L857-S860 PolarHBondContact O-OG 3.34Å; S860-D862 PolarHBondContact O-N 2.6Å; S860-F863 PolarHBondContact O-N 3.44Å; S860-F863 VanDerWaalsContact OG-CB 3.31Å; S860-F863 WeakPolarHBondContact OG-CB 3.25Å; S860-F864 VanDerWaalsContact O-CD2 3.31Å; S860-F864 WeakPolarHBondContact O-CD2 3.33Å; S860-F864 PolarHBondContact O-N 3.43Å | ||
| 861 | T | 73.2 | Confident | 77.6 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 66% | 0.656 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.8 | -34.4 | 179.4 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | F864 S865 | T861-F864 PolarHBondContact O-N 3.23Å; T861-S865 WeakPolarHBondContact O-CB 3.46Å; T861-S865 PolarHBondContact O-N 2.96Å; T861-S865 PolarHBondContact O-OG 3Å |
| 862 | D | 73.3 | Confident | 77.5 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | -174.8 | -54.1 | -33.6 | 0 | 0 | 0 | 110.9 | Q819 S860 F864 S865 G866 | Q819-D862 WeakPolarHBondContact CG-OD2 3.34Å; S860-D862 PolarHBondContact O-N 2.6Å; D862-F864 PolarHBondContact O-N 2.83Å; D862-S865 PolarHBondContact O-N 2.9Å; D862-S865 PolarHBondContact O-OG 2.95Å; D862-G866 PolarHBondContact O-N 3.28Å |
| 863 | F | 76.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | 173.4 | -179.4 | -114.8 | 0 | 0 | 0 | 112.3 | L821 S860 S865 G866 L867 V877 L878 | L821-F863 HydrophobicContact CD2-CB 4.34Å; L821-F863 HydrophobicContact CD2-CD2 4.01Å; S860-F863 PolarHBondContact O-N 3.44Å; S860-F863 VanDerWaalsContact OG-CB 3.31Å; S860-F863 WeakPolarHBondContact OG-CB 3.25Å; F863-S865 PolarHBondContact O-N 3.13Å; F863-G866 PolarHBondContact O-N 3.36Å; F863-L867 HydrophobicContact CD1-CD1 3.91Å; F863-L867 HydrophobicContact CE1-CD1 3.43Å; F863-L867 VanDerWaalsContact CE1-CD1 3.43Å; F863-L867 HydrophobicContact CE1-CG 4.38Å; F863-L867 HydrophobicContact CE2-CD1 4.13Å; F863-L867 HydrophobicContact CE2-CG 4.25Å; F863-L867 HydrophobicContact CG-CD1 4.46Å; F863-L867 HydrophobicContact CZ-CD1 3.57Å; F863-L867 HydrophobicContact CZ-CD2 4.49Å; F863-L867 HydrophobicContact CZ-CG 4.15Å; F863-L867 WeakPolarHBondContact O-CG 3.34Å; F863-L867 PolarHBondContact O-N 2.9Å; F863-V877 HydrophobicContact CD2-CG1 3.93Å; F863-V877 HydrophobicContact CE2-CB 4.04Å; F863-V877 HydrophobicContact CE2-CG1 3.53Å; F863-V877 HydrophobicContact CZ-CG1 4.45Å; F863-L878 HydrophobicContact CZ-CB 4.15Å; F863-L878 HydrophobicContact CZ-CD1 4.16Å |
| 864 | F | 75.2 | Confident | 76.9 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.7 | -88.3 | -76.8 | 0 | 0 | 0 | 112.7 | C858 S860 T861 D862 L867 Q868 A914 K917 | C858-F864 WeakPolarHBondContact O-CE2 3.31Å; S860-F864 VanDerWaalsContact O-CD2 3.31Å; S860-F864 WeakPolarHBondContact O-CD2 3.33Å; S860-F864 PolarHBondContact O-N 3.43Å; T861-F864 PolarHBondContact O-N 3.23Å; D862-F864 PolarHBondContact O-N 2.83Å; F864-L867 PolarHBondContact O-N 3.36Å; F864-Q868 WeakPolarHBondContact O-CG 3.49Å; F864-Q868 PolarHBondContact O-N 3.38Å; F864-A914 HydrophobicContact CD1-CB 4.37Å; F864-A914 HydrophobicContact CE1-CB 3.53Å; F864-A914 HydrophobicContact CZ-CB 3.73Å; F864-K917 HydrophobicContact CE1-CD 4.32Å |
| 865 | S | 76.5 | Confident | 76.8 | Confident | 62 Ų | 62 | 58 Ų | 58 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 178.4 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | T861 D862 F863 Q868 A869 | T861-S865 WeakPolarHBondContact O-CB 3.46Å; T861-S865 PolarHBondContact O-N 2.96Å; T861-S865 PolarHBondContact O-OG 3Å; D862-S865 PolarHBondContact O-N 2.9Å; D862-S865 PolarHBondContact O-OG 2.95Å; F863-S865 PolarHBondContact O-N 3.13Å; S865-Q868 PolarHBondContact O-N 2.82Å; S865-A869 WeakPolarHBondContact O-CB 3.48Å; S865-A869 PolarHBondContact O-N 3.22Å; S865-A869 VanDerWaalsContact O-N 3.08Å |
| 866 | G | 74.9 | Confident | 76.9 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D862 F863 D870 T871 | D862-G866 PolarHBondContact O-N 3.28Å; F863-G866 PolarHBondContact O-N 3.36Å; G866-D870 PolarHBondContact O-N 2.89Å; G866-T871 PolarHBondContact O-N 3.4Å; G866-T871 VanDerWaalsContact O-N 3.16Å; G866-T871 PolarHBondContact O-OG1 2.82Å |
| 867 | L | 74.7 | Confident | 77 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 174.4 | -76.7 | 173.1 | 0 | 0 | 0 | 112.7 | F863 F864 A869 D870 A874 L878 V918 | F863-L867 HydrophobicContact CD1-CD1 3.91Å; F863-L867 HydrophobicContact CE1-CD1 3.43Å; F863-L867 VanDerWaalsContact CE1-CD1 3.43Å; F863-L867 HydrophobicContact CE1-CG 4.38Å; F863-L867 HydrophobicContact CE2-CD1 4.13Å; F863-L867 HydrophobicContact CE2-CG 4.25Å; F863-L867 HydrophobicContact CG-CD1 4.46Å; F863-L867 HydrophobicContact CZ-CD1 3.57Å; F863-L867 HydrophobicContact CZ-CD2 4.49Å; F863-L867 HydrophobicContact CZ-CG 4.15Å; F863-L867 WeakPolarHBondContact O-CG 3.34Å; F863-L867 PolarHBondContact O-N 2.9Å; F864-L867 PolarHBondContact O-N 3.36Å; L867-A869 VanDerWaalsContact C-N 3.29Å; L867-A869 PolarHBondContact O-N 2.92Å; L867-D870 PolarHBondContact O-N 3.32Å; L867-A874 HydrophobicContact CD2-CB 4.02Å; L867-A874 HydrophobicContact CG-CB 4.06Å; L867-L878 HydrophobicContact CD2-CD2 4.33Å; L867-V918 HydrophobicContact CB-CG2 3.74Å; L867-V918 WeakPolarHBondContact O-CG1 3.45Å |
| 868 | Q | 74.4 | Confident | 77.1 | Confident | 114 Ų | 114 | 51.5 Ų | 51.5 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -31.9 | 175.6 | -77.5 | -178.3 | -13.6 | 0 | 0 | 112.6 | F864 S865 D870 | F864-Q868 WeakPolarHBondContact O-CG 3.49Å; F864-Q868 PolarHBondContact O-N 3.38Å; S865-Q868 PolarHBondContact O-N 2.82Å; Q868-D870 VanDerWaalsContact C-N 3.27Å |
| 869 | A | 74 | Confident | 77.6 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 1.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S865 L867 T871 | S865-A869 WeakPolarHBondContact O-CB 3.48Å; S865-A869 PolarHBondContact O-N 3.22Å; S865-A869 VanDerWaalsContact O-N 3.08Å; L867-A869 VanDerWaalsContact C-N 3.29Å; L867-A869 PolarHBondContact O-N 2.92Å; A869-T871 VanDerWaalsContact C-N 3.25Å; A869-T871 HydrophobicContact CB-CG2 4.03Å; A869-T871 PolarHBondContact O-N 3.48Å |
| 870 | D | 73.1 | Confident | 77.8 | Confident | 110 Ų | 110 | 55.1 Ų | 55.1 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 43.5 | -177.4 | -160.4 | 21.8 | 0 | 0 | 0 | 113.3 | G866 L867 Q868 | G866-D870 PolarHBondContact O-N 2.89Å; L867-D870 PolarHBondContact O-N 3.32Å; Q868-D870 VanDerWaalsContact C-N 3.27Å |
| 871 | T | 77.5 | Confident | 78 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | trans | -75.4 | 140.2 | 177.2 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | G866 A869 E873 A874 T875 | G866-T871 PolarHBondContact O-N 3.4Å; G866-T871 VanDerWaalsContact O-N 3.16Å; G866-T871 PolarHBondContact O-OG1 2.82Å; A869-T871 VanDerWaalsContact C-N 3.25Å; A869-T871 HydrophobicContact CB-CG2 4.03Å; A869-T871 PolarHBondContact O-N 3.48Å; T871-E873 PolarHBondContact O-N 2.77Å; T871-A874 PolarHBondContact O-N 3.13Å; T871-A874 VanDerWaalsContact OG1-CB 3.27Å; T871-A874 WeakPolarHBondContact OG1-CB 3.31Å; T871-T875 PolarHBondContact O-N 3.49Å; T871-T875 PolarHBondContact O-OG1 3.23Å | ||
| 872 | K | 80 | Confident | 78.5 | Confident | 172 Ų | 172 | 52.3 Ų | 52.3 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -57.7 | -39.1 | -179.9 | -71.1 | -174.6 | 177.8 | -177.6 | 0 | 111.4 | T875 S876 | K872-T875 PolarHBondContact O-N 3.36Å; K872-S876 WeakPolarHBondContact O-CB 3.09Å; K872-S876 PolarHBondContact O-N 2.65Å; K872-S876 PolarHBondContact O-OG 3.2Å; K872-S876 VanDerWaalsContact O-OG 3.14Å |
| 873 | E | 77.5 | Confident | 79 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | -178.5 | -61 | 75.3 | -168.1 | 0 | 0 | 111.5 | L821 T871 T875 S876 V877 | L821-E873 HydrophobicContact CB-CB 4.15Å; T871-E873 PolarHBondContact O-N 2.77Å; E873-T875 PolarHBondContact O-N 3.4Å; E873-S876 PolarHBondContact O-N 2.95Å; E873-V877 WeakPolarHBondContact O-CB 3.47Å; E873-V877 WeakPolarHBondContact O-CG2 3.5Å; E873-V877 PolarHBondContact O-N 2.74Å |
| 874 | A | 78.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L821 L867 T871 V877 L878 | L821-A874 HydrophobicContact CD1-CB 3.89Å; L867-A874 HydrophobicContact CD2-CB 4.02Å; L867-A874 HydrophobicContact CG-CB 4.06Å; T871-A874 PolarHBondContact O-N 3.13Å; T871-A874 VanDerWaalsContact OG1-CB 3.27Å; T871-A874 WeakPolarHBondContact OG1-CB 3.31Å; A874-V877 PolarHBondContact O-N 3.11Å; A874-L878 PolarHBondContact O-N 3.35Å |
| 875 | T | 80.7 | Confident | 79.7 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 176 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | T871 K872 E873 V877 L878 E879 | T871-T875 PolarHBondContact O-N 3.49Å; T871-T875 PolarHBondContact O-OG1 3.23Å; K872-T875 PolarHBondContact O-N 3.36Å; E873-T875 PolarHBondContact O-N 3.4Å; T875-V877 PolarHBondContact O-N 2.74Å; T875-L878 WeakPolarHBondContact O-CB 3.42Å; T875-L878 PolarHBondContact O-N 3.19Å; T875-L878 VanDerWaalsContact O-N 3.13Å; T875-E879 WeakPolarHBondContact O-CG 3.43Å; T875-E879 PolarHBondContact O-N 2.86Å |
| 876 | S | 82 | Confident | 80.1 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.6 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | Q825 K872 E873 L878 E879 C880 | Q825-S876 VanDerWaalsContact CD-CB 3.5Å; K872-S876 WeakPolarHBondContact O-CB 3.09Å; K872-S876 PolarHBondContact O-N 2.65Å; K872-S876 PolarHBondContact O-OG 3.2Å; K872-S876 VanDerWaalsContact O-OG 3.14Å; E873-S876 PolarHBondContact O-N 2.95Å; S876-L878 VanDerWaalsContact C-N 3.31Å; S876-L878 PolarHBondContact O-N 2.85Å; S876-E879 PolarHBondContact O-N 2.94Å; S876-C880 PolarHBondContact O-N 3.45Å; S876-C880 PolarHBondContact O-SG 3.26Å |
| 877 | V | 83.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 171.7 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | L821 V824 Q825 L828 L857 F863 E873 A874 T875 C880 F881 | L821-V877 HydrophobicContact CB-CG2 4.39Å; L821-V877 VanDerWaalsContact O-CG2 3.29Å; L821-V877 WeakPolarHBondContact O-CG2 3.36Å; V824-V877 HydrophobicContact CB-CG2 4.34Å; V824-V877 HydrophobicContact CG1-CG1 3.83Å; V824-V877 HydrophobicContact CG1-CG2 3.98Å; Q825-V877 HydrophobicContact CB-CG2 3.83Å; L828-V877 HydrophobicContact CD1-CG1 3.8Å; L857-V877 HydrophobicContact CD2-CG1 4.36Å; F863-V877 HydrophobicContact CD2-CG1 3.93Å; F863-V877 HydrophobicContact CE2-CB 4.04Å; F863-V877 HydrophobicContact CE2-CG1 3.53Å; F863-V877 HydrophobicContact CZ-CG1 4.45Å; E873-V877 WeakPolarHBondContact O-CB 3.47Å; E873-V877 WeakPolarHBondContact O-CG2 3.5Å; E873-V877 PolarHBondContact O-N 2.74Å; A874-V877 PolarHBondContact O-N 3.11Å; T875-V877 PolarHBondContact O-N 2.74Å; V877-C880 PolarHBondContact O-N 3.32Å; V877-F881 VanDerWaalsContact O-CB 3.3Å; V877-F881 WeakPolarHBondContact O-CB 3.26Å; V877-F881 PolarHBondContact O-N 3.23Å |
| 878 | L | 83.5 | Confident | 80.5 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.6 | -179.4 | 67.4 | 0 | 0 | 0 | 111.9 | F863 L867 A874 T875 S876 F881 V882 L911 V915 | F863-L878 HydrophobicContact CZ-CB 4.15Å; F863-L878 HydrophobicContact CZ-CD1 4.16Å; L867-L878 HydrophobicContact CD2-CD2 4.33Å; A874-L878 PolarHBondContact O-N 3.35Å; T875-L878 WeakPolarHBondContact O-CB 3.42Å; T875-L878 PolarHBondContact O-N 3.19Å; T875-L878 VanDerWaalsContact O-N 3.13Å; S876-L878 VanDerWaalsContact C-N 3.31Å; S876-L878 PolarHBondContact O-N 2.85Å; L878-F881 VanDerWaalsContact O-CB 3.31Å; L878-F881 WeakPolarHBondContact O-CB 3.27Å; L878-F881 PolarHBondContact O-N 3.4Å; L878-V882 WeakPolarHBondContact O-CG2 3.44Å; L878-V882 PolarHBondContact O-N 3.34Å; L878-L911 HydrophobicContact CD1-CD1 3.43Å; L878-L911 VanDerWaalsContact CD1-CD1 3.43Å; L878-L911 HydrophobicContact CD1-CG 4.36Å; L878-V915 HydrophobicContact CD2-CG2 4.03Å |
| 879 | E | 84.1 | Confident | 80.8 | Confident | 129 Ų | 129 | 48.1 Ų | 48.1 | 60% | 0.603 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.4 | -46.4 | 176 | -71.4 | 176 | 168.9 | 0 | 0 | 111.6 | T875 S876 F881 V882 S883 | T875-E879 WeakPolarHBondContact O-CG 3.43Å; T875-E879 PolarHBondContact O-N 2.86Å; S876-E879 PolarHBondContact O-N 2.94Å; E879-F881 VanDerWaalsContact C-N 3.28Å; E879-F881 PolarHBondContact O-N 2.98Å; E879-V882 PolarHBondContact O-N 3.16Å; E879-S883 WeakPolarHBondContact O-CB 3.36Å; E879-S883 PolarHBondContact O-N 2.85Å |
| 880 | C | 81.4 | Confident | 81 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 174.8 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | L828 S876 V877 S883 V884 | L828-C880 HydrophobicContact CB-CB 3.85Å; L828-C880 HydrophobicContact CD1-CB 4.41Å; S876-C880 PolarHBondContact O-N 3.45Å; S876-C880 PolarHBondContact O-SG 3.26Å; V877-C880 PolarHBondContact O-N 3.32Å; C880-S883 WeakPolarHBondContact O-CB 3.44Å; C880-S883 PolarHBondContact O-N 3.39Å; C880-V884 WeakPolarHBondContact O-CG2 3.4Å; C880-V884 PolarHBondContact O-N 2.95Å |
| 881 | F | 83.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 176.2 | -167 | -83.1 | 0 | 0 | 0 | 112.1 | L854 C858 V877 L878 E879 S883 V884 L885 L906 L911 | L854-F881 HydrophobicContact CB-CD2 4.21Å; L854-F881 HydrophobicContact CB-CE2 3.3Å; L854-F881 HydrophobicContact CB-CZ 3.52Å; L854-F881 HydrophobicContact CD1-CD2 4.35Å; L854-F881 HydrophobicContact CD1-CE2 4.13Å; L854-F881 HydrophobicContact CD1-CZ 4.32Å; L854-F881 HydrophobicContact CD2-CD2 3.68Å; L854-F881 HydrophobicContact CD2-CE2 3.63Å; L854-F881 HydrophobicContact CG-CD2 4.27Å; L854-F881 HydrophobicContact CG-CE2 3.83Å; L854-F881 HydrophobicContact CG-CZ 4.31Å; L854-F881 WeakPolarHBondContact O-CE2 3.26Å; L854-F881 WeakPolarHBondContact O-CZ 3.42Å; C858-F881 HydrophobicContact CB-CE2 4.45Å; C858-F881 HydrophobicContact CB-CZ 4.29Å; C858-F881 WeakPolarHBondContact SG-CE2 3.21Å; C858-F881 WeakPolarHBondContact SG-CZ 3.3Å; V877-F881 VanDerWaalsContact O-CB 3.3Å; V877-F881 WeakPolarHBondContact O-CB 3.26Å; V877-F881 PolarHBondContact O-N 3.23Å; L878-F881 VanDerWaalsContact O-CB 3.31Å; L878-F881 WeakPolarHBondContact O-CB 3.27Å; L878-F881 PolarHBondContact O-N 3.4Å; E879-F881 VanDerWaalsContact C-N 3.28Å; E879-F881 PolarHBondContact O-N 2.98Å; F881-S883 VanDerWaalsContact C-N 3.29Å; F881-S883 PolarHBondContact O-N 3.38Å; F881-V884 PolarHBondContact O-N 2.93Å; F881-L885 HydrophobicContact CD1-CD1 3.87Å; F881-L885 HydrophobicContact CD1-CG 4.24Å; F881-L885 HydrophobicContact CE1-CD1 3.52Å; F881-L885 HydrophobicContact CE1-CG 4.13Å; F881-L885 WeakPolarHBondContact O-CG 3.4Å; F881-L885 PolarHBondContact O-N 3.23Å; F881-L885 VanDerWaalsContact O-N 3.07Å; F881-L906 HydrophobicContact CE1-CD2 4Å; F881-L906 HydrophobicContact CE1-CG 4.31Å; F881-L906 HydrophobicContact CZ-CD1 4.18Å; F881-L906 HydrophobicContact CZ-CD2 3.87Å; F881-L906 HydrophobicContact CZ-CG 4.3Å; F881-L911 HydrophobicContact CD1-CD1 3.87Å; F881-L911 HydrophobicContact CD1-CD2 4.28Å; F881-L911 HydrophobicContact CE1-CD1 3.91Å; F881-L911 HydrophobicContact CE1-CD2 4.3Å |
| 882 | V | 84 | Confident | 79.8 | Confident | 65 Ų | 65 | 48.2 Ų | 48.2 | 39% | 0.394 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 177.3 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L878 E879 L885 S886 L911 | L878-V882 WeakPolarHBondContact O-CG2 3.44Å; L878-V882 PolarHBondContact O-N 3.34Å; E879-V882 PolarHBondContact O-N 3.16Å; V882-L885 PolarHBondContact O-N 3.2Å; V882-S886 VanDerWaalsContact O-CB 3.27Å; V882-S886 WeakPolarHBondContact O-CB 3.47Å; V882-S886 PolarHBondContact O-N 3.07Å; V882-S886 PolarHBondContact O-OG 2.83Å; V882-L911 HydrophobicContact CG2-CD2 4.16Å |
| 883 | S | 84.1 | Confident | 79.1 | Confident | 54 Ų | 54 | 42 Ų | 42 | 38% | 0.378 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 112 | S832 E879 C880 F881 S886 T887 | S832-S883 PolarHBondContact OG-OG 3.09Å; E879-S883 WeakPolarHBondContact O-CB 3.36Å; E879-S883 PolarHBondContact O-N 2.85Å; C880-S883 WeakPolarHBondContact O-CB 3.44Å; C880-S883 PolarHBondContact O-N 3.39Å; F881-S883 VanDerWaalsContact C-N 3.29Å; F881-S883 PolarHBondContact O-N 3.38Å; S883-S886 PolarHBondContact O-N 3.17Å; S883-T887 WeakPolarHBondContact O-CB 3.4Å; S883-T887 PolarHBondContact O-N 3.24Å; S883-T887 PolarHBondContact O-OG1 3.33Å |
| 884 | V | 82.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | L835 L850 L854 C880 F881 S886 T887 I888 | L835-V884 HydrophobicContact CD1-CG1 3.83Å; L850-V884 HydrophobicContact CD2-CG1 3.98Å; L850-V884 HydrophobicContact CG-CG1 4.43Å; L854-V884 HydrophobicContact CD1-CB 4.27Å; L854-V884 HydrophobicContact CD1-CG1 3.68Å; C880-V884 WeakPolarHBondContact O-CG2 3.4Å; C880-V884 PolarHBondContact O-N 2.95Å; F881-V884 PolarHBondContact O-N 2.93Å; V884-S886 VanDerWaalsContact C-N 3.35Å; V884-S886 PolarHBondContact O-N 3.37Å; V884-T887 WeakPolarHBondContact O-CB 3.32Å; V884-T887 PolarHBondContact O-N 2.88Å; V884-I888 HydrophobicContact CG1-CD1 4.29Å; V884-I888 WeakPolarHBondContact O-CG1 3.44Å; V884-I888 PolarHBondContact O-N 3.32Å; V884-I888 VanDerWaalsContact O-N 3.1Å |
| 885 | L | 83.2 | Confident | 78.3 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 179.1 | -66 | -174.2 | 0 | 0 | 0 | 112.5 | L854 F881 V882 T887 I888 V889 V903 L906 V907 | L854-L885 HydrophobicContact CD1-CD2 4.01Å; F881-L885 HydrophobicContact CD1-CD1 3.87Å; F881-L885 HydrophobicContact CD1-CG 4.24Å; F881-L885 HydrophobicContact CE1-CD1 3.52Å; F881-L885 HydrophobicContact CE1-CG 4.13Å; F881-L885 WeakPolarHBondContact O-CG 3.4Å; F881-L885 PolarHBondContact O-N 3.23Å; F881-L885 VanDerWaalsContact O-N 3.07Å; V882-L885 PolarHBondContact O-N 3.2Å; L885-T887 VanDerWaalsContact C-N 3.31Å; L885-T887 PolarHBondContact O-N 2.89Å; L885-I888 HydrophobicContact CD2-CD1 4.35Å; L885-I888 WeakPolarHBondContact O-CB 3.35Å; L885-I888 PolarHBondContact O-N 3.44Å; L885-V889 WeakPolarHBondContact O-CG2 3.21Å; L885-V889 PolarHBondContact O-N 3.36Å; L885-V903 HydrophobicContact CB-CG1 4.28Å; L885-V903 HydrophobicContact CD2-CG1 4.17Å; L885-V903 HydrophobicContact CD2-CG2 4.49Å; L885-L906 HydrophobicContact CD1-CD2 3.83Å; L885-L906 HydrophobicContact CD1-CG 4.34Å; L885-L906 HydrophobicContact CD2-CD2 3.82Å; L885-L906 HydrophobicContact CG-CD2 4.43Å; L885-V907 HydrophobicContact CD1-CG2 3.66Å |
| 886 | S | 84.4 | Confident | 78.1 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.6 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | V882 S883 V884 I888 V889 V890 | V882-S886 VanDerWaalsContact O-CB 3.27Å; V882-S886 WeakPolarHBondContact O-CB 3.47Å; V882-S886 PolarHBondContact O-N 3.07Å; V882-S886 PolarHBondContact O-OG 2.83Å; S883-S886 PolarHBondContact O-N 3.17Å; V884-S886 VanDerWaalsContact C-N 3.35Å; V884-S886 PolarHBondContact O-N 3.37Å; S886-I888 VanDerWaalsContact C-N 3.31Å; S886-I888 PolarHBondContact O-N 3.1Å; S886-V889 PolarHBondContact O-N 2.9Å; S886-V890 WeakPolarHBondContact O-CB 3.26Å; S886-V890 VanDerWaalsContact O-CG2 3.31Å; S886-V890 WeakPolarHBondContact O-CG2 3.4Å; S886-V890 PolarHBondContact O-N 3.25Å |
| 887 | T | 80.3 | Confident | 77.8 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L835 R836 S883 V884 L885 V889 Q891 | L835-T887 HydrophobicContact CB-CG2 4.1Å; R836-T887 HydrophobicContact CB-CG2 3.93Å; S883-T887 WeakPolarHBondContact O-CB 3.4Å; S883-T887 PolarHBondContact O-N 3.24Å; S883-T887 PolarHBondContact O-OG1 3.33Å; V884-T887 WeakPolarHBondContact O-CB 3.32Å; V884-T887 PolarHBondContact O-N 2.88Å; L885-T887 VanDerWaalsContact C-N 3.31Å; L885-T887 PolarHBondContact O-N 2.89Å; T887-V889 VanDerWaalsContact C-N 3.35Å; T887-V889 PolarHBondContact O-N 3.42Å; T887-Q891 HydrophobicContact CG2-CG 4.45Å; T887-Q891 WeakPolarHBondContact O-CB 3.48Å; T887-Q891 WeakPolarHBondContact O-CG 3.11Å; T887-Q891 PolarHBondContact O-N 2.94Å |
| 888 | I | 79 | Confident | 77.6 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 175.6 | -64 | 167.7 | 0 | 0 | 0 | 110.4 | L835 T847 V884 L885 S886 T892 V903 | L835-I888 HydrophobicContact CD1-CD1 4.23Å; L835-I888 HydrophobicContact CD1-CG1 3.96Å; T847-I888 HydrophobicContact CG2-CB 4.39Å; T847-I888 HydrophobicContact CG2-CD1 3.55Å; T847-I888 HydrophobicContact CG2-CG1 3.6Å; T847-I888 HydrophobicContact CG2-CG2 3.9Å; V884-I888 HydrophobicContact CG1-CD1 4.29Å; V884-I888 WeakPolarHBondContact O-CG1 3.44Å; V884-I888 PolarHBondContact O-N 3.32Å; V884-I888 VanDerWaalsContact O-N 3.1Å; L885-I888 HydrophobicContact CD2-CD1 4.35Å; L885-I888 WeakPolarHBondContact O-CB 3.35Å; L885-I888 PolarHBondContact O-N 3.44Å; S886-I888 VanDerWaalsContact C-N 3.31Å; S886-I888 PolarHBondContact O-N 3.1Å; I888-T892 WeakPolarHBondContact O-CG2 3.11Å; I888-V903 HydrophobicContact CG2-CG2 4.18Å |
| 889 | V | 79.5 | Confident | 77.3 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 38% | 0.382 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | -178.8 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | L885 S886 T887 T892 V903 | L885-V889 WeakPolarHBondContact O-CG2 3.21Å; L885-V889 PolarHBondContact O-N 3.36Å; S886-V889 PolarHBondContact O-N 2.9Å; T887-V889 VanDerWaalsContact C-N 3.35Å; T887-V889 PolarHBondContact O-N 3.42Å; V889-T892 PolarHBondContact O-OG1 3.5Å; V889-V903 HydrophobicContact CG2-CG1 4.01Å |
| 890 | V | 77.6 | Confident | 77.2 | Confident | 123 Ų | 123 | 48 Ų | 48 | 75% | 0.745 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.1 | -37.5 | -177 | 172 | 0 | 0 | 0 | 0 | 111.4 | S886 T892 | S886-V890 WeakPolarHBondContact O-CB 3.26Å; S886-V890 VanDerWaalsContact O-CG2 3.31Å; S886-V890 WeakPolarHBondContact O-CG2 3.4Å; S886-V890 PolarHBondContact O-N 3.25Å; V890-T892 VanDerWaalsContact C-N 3.34Å; V890-T892 PolarHBondContact O-N 3.34Å |
| 891 | Q | 66.9 | Low | 77.3 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 11.2 | -175.4 | -62.9 | -164 | -20.2 | 0 | 0 | 114.3 | L835 R836 I839 T887 S893 | L835-Q891 PolarHBondContact O-OE1 2.92Å; R836-Q891 PolarHBondContact O-NE2 3.39Å; R836-Q891 PolarHBondContact O-OE1 3Å; I839-Q891 HydrophobicContact CD1-CB 4.44Å; I839-Q891 HydrophobicContact CG2-CB 4.13Å; T887-Q891 HydrophobicContact CG2-CG 4.45Å; T887-Q891 WeakPolarHBondContact O-CB 3.48Å; T887-Q891 WeakPolarHBondContact O-CG 3.11Å; T887-Q891 PolarHBondContact O-N 2.94Å; Q891-S893 PolarHBondContact O-N 3.02Å |
| 892 | T | 60.2 | Low | 77 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | trans | -69.5 | 95 | -178.8 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | I888 V889 V890 F896 L900 | I888-T892 WeakPolarHBondContact O-CG2 3.11Å; V889-T892 PolarHBondContact O-OG1 3.5Å; V890-T892 VanDerWaalsContact C-N 3.34Å; V890-T892 PolarHBondContact O-N 3.34Å; T892-F896 HydrophobicContact CG2-CB 3.48Å; T892-F896 VanDerWaalsContact CG2-CB 3.48Å; T892-L900 HydrophobicContact CG2-CD1 3.72Å | ||
| 893 | S | 65.6 | Low | 76.9 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | trans | -57.6 | 162 | 148.7 | 66.9 | 0 | 0 | 0 | 0 | 109.7 | Q891 K895 F896 | Q891-S893 PolarHBondContact O-N 3.02Å; S893-K895 PolarHBondContact O-N 3.13Å; S893-F896 PolarHBondContact O-N 3.36Å; S893-F896 WeakPolarHBondContact OG-CD2 3.21Å | ||
| 894 | S | 68.1 | Low | 76.8 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -27 | -177.6 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | S897 | S894-S897 WeakPolarHBondContact O-CB 3.14Å; S894-S897 PolarHBondContact O-OG 2.93Å |
| 895 | K | 70.9 | Confident | 76.9 | Confident | 146 Ų | 146 | 55.4 Ų | 55.4 | 64% | 0.635 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -35.2 | 176.1 | -63.5 | -177.6 | 178 | -178.9 | 0 | 114.4 | V844 S893 S898 | V844-K895 HydrophobicContact CG2-CB 4.43Å; S893-K895 PolarHBondContact O-N 3.13Å; K895-S898 PolarHBondContact O-OG 3.22Å |
| 896 | F | 75.7 | Confident | 76.8 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -7 | -178.1 | -65.9 | -92.8 | 0 | 0 | 0 | 113.2 | I839 M840 V844 T892 S893 S898 L899 | I839-F896 HydrophobicContact CD1-CD1 4.31Å; I839-F896 HydrophobicContact CD1-CE1 4.11Å; I839-F896 HydrophobicContact CD1-CZ 4.5Å; I839-F896 HydrophobicContact CG1-CD1 4.36Å; I839-F896 HydrophobicContact CG1-CE1 3.67Å; I839-F896 HydrophobicContact CG1-CZ 3.77Å; M840-F896 HydrophobicContact CE-CE2 4.49Å; M840-F896 HydrophobicContact SD-CD2 4.36Å; M840-F896 HydrophobicContact SD-CE2 3.61Å; M840-F896 HydrophobicContact SD-CZ 4.48Å; V844-F896 HydrophobicContact CG2-CD1 4.03Å; V844-F896 HydrophobicContact CG2-CE1 4Å; V844-F896 HydrophobicContact CG2-CG 4.35Å; V844-F896 HydrophobicContact CG2-CZ 4.3Å; T892-F896 HydrophobicContact CG2-CB 3.48Å; T892-F896 VanDerWaalsContact CG2-CB 3.48Å; S893-F896 PolarHBondContact O-N 3.36Å; S893-F896 WeakPolarHBondContact OG-CD2 3.21Å; F896-S898 PolarHBondContact O-N 2.75Å; F896-S898 VanDerWaalsContact O-N 3.09Å; F896-L899 HydrophobicContact CD1-CD1 4.05Å; F896-L899 WeakPolarHBondContact O-CB 3.4Å; F896-L899 PolarHBondContact O-N 2.95Å |
| 897 | S | 76.4 | Confident | 76.6 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 46% | 0.462 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -55.1 | -28.1 | 175.6 | 67 | 0 | 0 | 0 | 0 | 113.4 | S894 L899 L900 | S894-S897 WeakPolarHBondContact O-CB 3.14Å; S894-S897 PolarHBondContact O-OG 2.93Å; S897-L899 PolarHBondContact O-N 3.45Å; S897-L900 PolarHBondContact O-N 3.42Å |
| 898 | S | 78.8 | Confident | 76.7 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -65.2 | -20.8 | 176.5 | 58.9 | 0 | 0 | 0 | 0 | 114 | K895 F896 | K895-S898 PolarHBondContact O-OG 3.22Å; F896-S898 PolarHBondContact O-N 2.75Å; F896-S898 VanDerWaalsContact O-N 3.09Å |
| 899 | L | 78 | Confident | 76.9 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -90.5 | -16.1 | 179.9 | -62.4 | 177.6 | 0 | 0 | 0 | 113.3 | V844 T847 K848 F896 S897 E902 V903 | V844-L899 HydrophobicContact CG1-CD1 3.8Å; V844-L899 HydrophobicContact CG1-CD2 3.93Å; V844-L899 HydrophobicContact CG1-CG 3.82Å; T847-L899 HydrophobicContact CG2-CD1 3.74Å; K848-L899 HydrophobicContact CB-CD2 3.84Å; K848-L899 HydrophobicContact CD-CD2 4.23Å; K848-L899 HydrophobicContact CG-CD2 4.11Å; F896-L899 HydrophobicContact CD1-CD1 4.05Å; F896-L899 WeakPolarHBondContact O-CB 3.4Å; F896-L899 PolarHBondContact O-N 2.95Å; S897-L899 PolarHBondContact O-N 3.45Å; L899-E902 PolarHBondContact O-N 3.44Å; L899-E902 VanDerWaalsContact O-N 3.14Å; L899-V903 WeakPolarHBondContact O-CG2 3.32Å; L899-V903 PolarHBondContact O-N 3.46Å |
| 900 | L | 80.8 | Confident | 76.7 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.4 | -44.9 | -179 | -95 | 103.2 | 0 | 0 | 0 | 113.3 | T892 S897 E902 V903 V904 | T892-L900 HydrophobicContact CG2-CD1 3.72Å; S897-L900 PolarHBondContact O-N 3.42Å; L900-E902 VanDerWaalsContact C-N 3.26Å; L900-E902 PolarHBondContact O-N 3.39Å; L900-V903 PolarHBondContact O-N 2.81Å; L900-V904 WeakPolarHBondContact O-CB 3.43Å; L900-V904 VanDerWaalsContact O-CG2 3.23Å; L900-V904 WeakPolarHBondContact O-CG2 3.47Å; L900-V904 PolarHBondContact O-N 2.9Å |
| 901 | P | 83.4 | Confident | 76.7 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.4 | -38.4 | 178.8 | -25.3 | 35.1 | 0 | 0 | 0 | 113 | A905 | P901-A905 WeakPolarHBondContact O-CB 3.4Å; P901-A905 PolarHBondContact O-N 3.49Å |
| 902 | E | 78.3 | Confident | 77.4 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.6 | -43.1 | 178.8 | -64.5 | -179.8 | 178.3 | 0 | 0 | 111.2 | K848 L899 L900 A905 L906 | K848-E902 VanDerWaalsContact CE-OE1 3.27Å; K848-E902 WeakPolarHBondContact CE-OE1 3.35Å; K848-E902 VanDerWaalsContact CE-OE2 3.31Å; K848-E902 WeakPolarHBondContact CE-OE2 3.46Å; K848-E902 IonicContact NZ-OE1 3.63Å; K848-E902 PolarHBondContact NZ-OE1 3.14Å; K848-E902 IonicContact NZ-OE2 3.56Å; L899-E902 PolarHBondContact O-N 3.44Å; L899-E902 VanDerWaalsContact O-N 3.14Å; L900-E902 VanDerWaalsContact C-N 3.26Å; L900-E902 PolarHBondContact O-N 3.39Å; E902-A905 PolarHBondContact O-N 3.44Å; E902-L906 WeakPolarHBondContact O-CB 3.26Å; E902-L906 PolarHBondContact O-N 3.13Å |
| 903 | V | 81 | Confident | 78.3 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L885 I888 V889 L899 L900 A905 L906 V907 | L885-V903 HydrophobicContact CB-CG1 4.28Å; L885-V903 HydrophobicContact CD2-CG1 4.17Å; L885-V903 HydrophobicContact CD2-CG2 4.49Å; I888-V903 HydrophobicContact CG2-CG2 4.18Å; V889-V903 HydrophobicContact CG2-CG1 4.01Å; L899-V903 WeakPolarHBondContact O-CG2 3.32Å; L899-V903 PolarHBondContact O-N 3.46Å; L900-V903 PolarHBondContact O-N 2.81Å; V903-A905 PolarHBondContact O-N 2.57Å; V903-L906 WeakPolarHBondContact O-CB 3.49Å; V903-L906 PolarHBondContact O-N 3.23Å; V903-V907 HydrophobicContact CG1-CG2 4.5Å; V903-V907 WeakPolarHBondContact O-CG2 3.35Å; V903-V907 PolarHBondContact O-N 3.37Å |
| 904 | V | 82.7 | Confident | 78.6 | Confident | 70 Ų | 70 | 56.2 Ų | 56.2 | 42% | 0.424 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | L900 L906 V907 I908 | L900-V904 WeakPolarHBondContact O-CB 3.43Å; L900-V904 VanDerWaalsContact O-CG2 3.23Å; L900-V904 WeakPolarHBondContact O-CG2 3.47Å; L900-V904 PolarHBondContact O-N 2.9Å; V904-L906 VanDerWaalsContact C-N 3.32Å; V904-L906 PolarHBondContact O-N 3.04Å; V904-V907 PolarHBondContact O-N 2.75Å; V904-I908 HydrophobicContact CG1-CD1 3.53Å; V904-I908 HydrophobicContact CG1-CG1 4.21Å; V904-I908 WeakPolarHBondContact O-CB 3.47Å; V904-I908 WeakPolarHBondContact O-CG1 3.2Å; V904-I908 PolarHBondContact O-N 3.41Å |
| 905 | A | 83.4 | Confident | 78.9 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 51% | 0.512 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P901 E902 V903 G909 | P901-A905 WeakPolarHBondContact O-CB 3.4Å; P901-A905 PolarHBondContact O-N 3.49Å; E902-A905 PolarHBondContact O-N 3.44Å; V903-A905 PolarHBondContact O-N 2.57Å; A905-G909 WeakPolarHBondContact O-CA 3.42Å; A905-G909 PolarHBondContact O-N 2.92Å |
| 906 | L | 81.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 174.8 | 173.5 | 65.4 | 0 | 0 | 0 | 112.3 | L854 F855 F881 L885 E902 V903 V904 P910 L911 | L854-L906 HydrophobicContact CB-CD2 4.47Å; F855-L906 HydrophobicContact CB-CD1 3.77Å; F855-L906 HydrophobicContact CD2-CD1 3.49Å; F855-L906 VanDerWaalsContact CD2-CD1 3.49Å; F855-L906 HydrophobicContact CE2-CD1 4.45Å; F855-L906 HydrophobicContact CG-CD1 3.97Å; F881-L906 HydrophobicContact CE1-CD2 4Å; F881-L906 HydrophobicContact CE1-CG 4.31Å; F881-L906 HydrophobicContact CZ-CD1 4.18Å; F881-L906 HydrophobicContact CZ-CD2 3.87Å; F881-L906 HydrophobicContact CZ-CG 4.3Å; L885-L906 HydrophobicContact CD1-CD2 3.83Å; L885-L906 HydrophobicContact CD1-CG 4.34Å; L885-L906 HydrophobicContact CD2-CD2 3.82Å; L885-L906 HydrophobicContact CG-CD2 4.43Å; E902-L906 WeakPolarHBondContact O-CB 3.26Å; E902-L906 PolarHBondContact O-N 3.13Å; V903-L906 WeakPolarHBondContact O-CB 3.49Å; V903-L906 PolarHBondContact O-N 3.23Å; V904-L906 VanDerWaalsContact C-N 3.32Å; V904-L906 PolarHBondContact O-N 3.04Å; L906-P910 HydrophobicContact CD1-CB 4.45Å; L906-P910 HydrophobicContact CD1-CG 4.19Å; L906-P910 VanDerWaalsContact O-CD 3.29Å; L906-P910 WeakPolarHBondContact O-CD 3.26Å; L906-L911 WeakPolarHBondContact O-CB 3.34Å; L906-L911 PolarHBondContact O-N 3.1Å |
| 907 | V | 81.6 | Confident | 79 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -69.6 | -50.5 | -179.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L885 V903 V904 G909 L911 F912 | L885-V907 HydrophobicContact CD1-CG2 3.66Å; V903-V907 HydrophobicContact CG1-CG2 4.5Å; V903-V907 WeakPolarHBondContact O-CG2 3.35Å; V903-V907 PolarHBondContact O-N 3.37Å; V904-V907 PolarHBondContact O-N 2.75Å; V907-G909 VanDerWaalsContact C-N 3.33Å; V907-G909 PolarHBondContact O-N 3.3Å; V907-L911 HydrophobicContact CG2-CD2 4.34Å; V907-F912 VanDerWaalsContact O-CB 3.31Å; V907-F912 WeakPolarHBondContact O-CB 3.39Å; V907-F912 PolarHBondContact O-N 3.4Å |
| 908 | I | 81.9 | Confident | 78.6 | Confident | 117 Ų | 117 | 57.2 Ų | 57.2 | 60% | 0.6 | 31% | 0.314 | S | S | * | . | I | π-helix | trans | -72.3 | -29.2 | -176.7 | -63.8 | 178.7 | 0 | 0 | 0 | 111.6 | V904 F912 | V904-I908 HydrophobicContact CG1-CD1 3.53Å; V904-I908 HydrophobicContact CG1-CG1 4.21Å; V904-I908 WeakPolarHBondContact O-CB 3.47Å; V904-I908 WeakPolarHBondContact O-CG1 3.2Å; V904-I908 PolarHBondContact O-N 3.41Å; I908-F912 WeakPolarHBondContact O-CB 3.43Å |
| 909 | G | 81.9 | Confident | 78.1 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -89.5 | -99.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A905 V907 L911 N913 | A905-G909 WeakPolarHBondContact O-CA 3.42Å; A905-G909 PolarHBondContact O-N 2.92Å; V907-G909 VanDerWaalsContact C-N 3.33Å; V907-G909 PolarHBondContact O-N 3.3Å; G909-L911 PolarHBondContact O-N 2.8Å; G909-N913 VanDerWaalsContact O-CB 3.31Å; G909-N913 WeakPolarHBondContact O-CB 3.32Å; G909-N913 VanDerWaalsContact O-CG 3.28Å; G909-N913 PolarHBondContact O-N 2.95Å; G909-N913 VanDerWaalsContact O-N 3.13Å; G909-N913 PolarHBondContact O-ND2 3.49Å |
| 910 | P | 77.1 | Confident | 77.6 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -55.9 | -46.8 | -173.2 | -22.6 | 27 | 0 | 0 | 0 | 114.4 | F855 C858 L906 N913 A914 | F855-P910 HydrophobicContact CD2-CG 3.73Å; F855-P910 HydrophobicContact CE2-CG 3.21Å; F855-P910 HydrophobicContact CZ-CG 3.68Å; C858-P910 HydrophobicContact CB-CB 4.41Å; L906-P910 HydrophobicContact CD1-CB 4.45Å; L906-P910 HydrophobicContact CD1-CG 4.19Å; L906-P910 VanDerWaalsContact O-CD 3.29Å; L906-P910 WeakPolarHBondContact O-CD 3.26Å; P910-N913 PolarHBondContact O-N 3.23Å; P910-A914 WeakPolarHBondContact O-CB 3.35Å; P910-A914 PolarHBondContact O-N 3.35Å |
| 911 | L | 77.6 | Confident | 76.6 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -68.8 | -49.8 | -171.9 | -168 | 71.6 | 0 | 0 | 0 | 111.8 | L878 F881 V882 L906 V907 G909 N913 A914 V915 | L878-L911 HydrophobicContact CD1-CD1 3.43Å; L878-L911 VanDerWaalsContact CD1-CD1 3.43Å; L878-L911 HydrophobicContact CD1-CG 4.36Å; F881-L911 HydrophobicContact CD1-CD1 3.87Å; F881-L911 HydrophobicContact CD1-CD2 4.28Å; F881-L911 HydrophobicContact CE1-CD1 3.91Å; F881-L911 HydrophobicContact CE1-CD2 4.3Å; V882-L911 HydrophobicContact CG2-CD2 4.16Å; L906-L911 WeakPolarHBondContact O-CB 3.34Å; L906-L911 PolarHBondContact O-N 3.1Å; V907-L911 HydrophobicContact CG2-CD2 4.34Å; G909-L911 PolarHBondContact O-N 2.8Å; L911-N913 VanDerWaalsContact C-N 3.29Å; L911-N913 PolarHBondContact O-N 3.37Å; L911-A914 WeakPolarHBondContact O-CB 3.32Å; L911-A914 PolarHBondContact O-N 3.47Å; L911-A914 VanDerWaalsContact O-N 3.09Å; L911-V915 PolarHBondContact O-N 2.9Å; L911-V915 VanDerWaalsContact O-N 3.09Å |
| 912 | F | 81.1 | Confident | 75.4 | Confident | 122 Ų | 122 | 58.8 Ų | 58.8 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 175.4 | -178.6 | -99.4 | 0 | 0 | 0 | 111.7 | V907 I908 A914 V915 R916 | V907-F912 VanDerWaalsContact O-CB 3.31Å; V907-F912 WeakPolarHBondContact O-CB 3.39Å; V907-F912 PolarHBondContact O-N 3.4Å; I908-F912 WeakPolarHBondContact O-CB 3.43Å; F912-A914 VanDerWaalsContact C-N 3.29Å; F912-A914 PolarHBondContact O-N 2.73Å; F912-V915 PolarHBondContact O-N 2.85Å; F912-R916 VanDerWaalsContact O-CB 3.26Å; F912-R916 WeakPolarHBondContact O-CB 3.41Å; F912-R916 PolarHBondContact O-N 3.23Å |
| 913 | N | 77.8 | Confident | 74.4 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -33.4 | 176.6 | -76.4 | -42.5 | 0 | 0 | 0 | 112.6 | G909 P910 L911 K917 | G909-N913 VanDerWaalsContact O-CB 3.31Å; G909-N913 WeakPolarHBondContact O-CB 3.32Å; G909-N913 VanDerWaalsContact O-CG 3.28Å; G909-N913 PolarHBondContact O-N 2.95Å; G909-N913 VanDerWaalsContact O-N 3.13Å; G909-N913 PolarHBondContact O-ND2 3.49Å; P910-N913 PolarHBondContact O-N 3.23Å; L911-N913 VanDerWaalsContact C-N 3.29Å; L911-N913 PolarHBondContact O-N 3.37Å; N913-K917 WeakPolarHBondContact O-CB 3.27Å; N913-K917 VanDerWaalsContact O-CG 3.29Å; N913-K917 WeakPolarHBondContact O-CG 3.31Å; N913-K917 PolarHBondContact O-N 3.08Å |
| 914 | A | 72.9 | Confident | 73.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -51.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F864 P910 L911 F912 R916 K917 V918 | F864-A914 HydrophobicContact CD1-CB 4.37Å; F864-A914 HydrophobicContact CE1-CB 3.53Å; F864-A914 HydrophobicContact CZ-CB 3.73Å; P910-A914 WeakPolarHBondContact O-CB 3.35Å; P910-A914 PolarHBondContact O-N 3.35Å; L911-A914 WeakPolarHBondContact O-CB 3.32Å; L911-A914 PolarHBondContact O-N 3.47Å; L911-A914 VanDerWaalsContact O-N 3.09Å; F912-A914 VanDerWaalsContact C-N 3.29Å; F912-A914 PolarHBondContact O-N 2.73Å; A914-R916 VanDerWaalsContact C-N 3.35Å; A914-R916 PolarHBondContact O-N 3.3Å; A914-K917 PolarHBondContact O-N 3.41Å; A914-V918 WeakPolarHBondContact O-CG2 3.31Å; A914-V918 PolarHBondContact O-N 3.19Å |
| 915 | V | 75.3 | Confident | 71.9 | Confident | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | L878 L911 F912 K917 V918 S919 | L878-V915 HydrophobicContact CD2-CG2 4.03Å; L911-V915 PolarHBondContact O-N 2.9Å; L911-V915 VanDerWaalsContact O-N 3.09Å; F912-V915 PolarHBondContact O-N 2.85Å; V915-K917 PolarHBondContact O-N 2.93Å; V915-V918 PolarHBondContact O-N 3.35Å; V915-S919 PolarHBondContact O-N 2.61Å |
| 916 | R | 77.6 | Confident | 70.3 | Confident | 133 Ų | 133 | 68.4 Ų | 68.4 | 50% | 0.502 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 179.3 | -166.5 | -175.2 | 79.9 | 162.7 | 3.3 | 112.5 | F912 A914 V918 S919 L920 | F912-R916 VanDerWaalsContact O-CB 3.26Å; F912-R916 WeakPolarHBondContact O-CB 3.41Å; F912-R916 PolarHBondContact O-N 3.23Å; A914-R916 VanDerWaalsContact C-N 3.35Å; A914-R916 PolarHBondContact O-N 3.3Å; R916-V918 VanDerWaalsContact C-N 3.31Å; R916-V918 PolarHBondContact O-N 3.05Å; R916-S919 PolarHBondContact O-N 3.2Å; R916-L920 HydrophobicContact CG-CD1 4.04Å; R916-L920 WeakPolarHBondContact O-CB 3.2Å; R916-L920 WeakPolarHBondContact O-CG 3.43Å; R916-L920 PolarHBondContact O-N 3.45Å |
| 917 | K | 70.8 | Confident | 68.8 | Low | 117 Ų | 117 | 74.5 Ų | 74.5 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 179 | -81.3 | 178.7 | 179.1 | -178.5 | 0 | 112 | F864 N913 A914 V915 A921 | F864-K917 HydrophobicContact CE1-CD 4.32Å; N913-K917 WeakPolarHBondContact O-CB 3.27Å; N913-K917 VanDerWaalsContact O-CG 3.29Å; N913-K917 WeakPolarHBondContact O-CG 3.31Å; N913-K917 PolarHBondContact O-N 3.08Å; A914-K917 PolarHBondContact O-N 3.41Å; V915-K917 PolarHBondContact O-N 2.93Å; K917-A921 WeakPolarHBondContact O-CB 3.39Å; K917-A921 PolarHBondContact O-N 3.16Å |
| 918 | V | 68 | Low | 67.3 | Low | 20 Ų | 20 | 78 Ų | 78 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69 | -46 | 177 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | L867 A914 V915 R916 L920 A921 L922 | L867-V918 HydrophobicContact CB-CG2 3.74Å; L867-V918 WeakPolarHBondContact O-CG1 3.45Å; A914-V918 WeakPolarHBondContact O-CG2 3.31Å; A914-V918 PolarHBondContact O-N 3.19Å; V915-V918 PolarHBondContact O-N 3.35Å; R916-V918 VanDerWaalsContact C-N 3.31Å; R916-V918 PolarHBondContact O-N 3.05Å; V918-L920 VanDerWaalsContact C-N 3.33Å; V918-L920 PolarHBondContact O-N 2.7Å; V918-A921 PolarHBondContact O-N 3.06Å; V918-A921 VanDerWaalsContact O-N 3.12Å; V918-L922 HydrophobicContact CG1-CD1 4.02Å; V918-L922 WeakPolarHBondContact O-CG 3.29Å; V918-L922 PolarHBondContact O-N 3.48Å |
| 919 | S | 67.6 | Low | 65.7 | Low | 62 Ų | 62 | 82.6 Ų | 82.6 | 43% | 0.434 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 176.2 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | V915 R916 L922 L923 | V915-S919 PolarHBondContact O-N 2.61Å; R916-S919 PolarHBondContact O-N 3.2Å; S919-L922 PolarHBondContact O-N 3.05Å; S919-L923 WeakPolarHBondContact O-CB 3.45Å; S919-L923 PolarHBondContact O-N 2.74Å |
| 920 | L | 66.5 | Low | 63.4 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 175 | -76.1 | 162.8 | 0 | 0 | 0 | 112.9 | R916 V918 N924 | R916-L920 HydrophobicContact CG-CD1 4.04Å; R916-L920 WeakPolarHBondContact O-CB 3.2Å; R916-L920 WeakPolarHBondContact O-CG 3.43Å; R916-L920 PolarHBondContact O-N 3.45Å; V918-L920 VanDerWaalsContact C-N 3.33Å; V918-L920 PolarHBondContact O-N 2.7Å; L920-N924 PolarHBondContact O-N 3Å; L920-N924 VanDerWaalsContact O-N 3.08Å; L920-N924 PolarHBondContact O-ND2 2.86Å |
| 921 | A | 60.4 | Low | 62.7 | Low | 34 Ų | 34 | 95.5 Ų | 95.5 | 28% | 0.281 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | K917 V918 N924 L925 | K917-A921 WeakPolarHBondContact O-CB 3.39Å; K917-A921 PolarHBondContact O-N 3.16Å; V918-A921 PolarHBondContact O-N 3.06Å; V918-A921 VanDerWaalsContact O-N 3.12Å; A921-N924 PolarHBondContact O-N 3.34Å; A921-L925 PolarHBondContact O-N 3.4Å; A921-L925 VanDerWaalsContact O-N 3.12Å |
| 922 | L | 57.6 | Low | 62 | Low | 76 Ų | 76 | 99.8 Ų | 99.8 | 40% | 0.398 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 175.5 | -69.5 | 167.9 | 0 | 0 | 0 | 112.2 | V918 S919 L925 Q926 | V918-L922 HydrophobicContact CG1-CD1 4.02Å; V918-L922 WeakPolarHBondContact O-CG 3.29Å; V918-L922 PolarHBondContact O-N 3.48Å; S919-L922 PolarHBondContact O-N 3.05Å; L922-L925 PolarHBondContact O-N 3.04Å; L922-Q926 PolarHBondContact O-N 2.86Å |
| 923 | L | 58.7 | Low | 60.9 | Low | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 173.6 | -89 | 156.1 | 0 | 0 | 0 | 112.5 | S919 L925 Q926 Q927 | S919-L923 WeakPolarHBondContact O-CB 3.45Å; S919-L923 PolarHBondContact O-N 2.74Å; L923-L925 VanDerWaalsContact C-N 3.31Å; L923-L925 PolarHBondContact O-N 3.23Å; L923-Q926 PolarHBondContact O-N 2.97Å; L923-Q927 PolarHBondContact O-N 3.25Å; L923-Q927 VanDerWaalsContact O-N 3.11Å |
| 924 | N | 57.3 | Low | 59.9 | Low | 92 Ų | 92 | 100.6 Ų | 100.6 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.1 | -26.7 | 176.7 | -73.1 | -20.9 | 0 | 0 | 0 | 113 | L920 A921 N928 | L920-N924 PolarHBondContact O-N 3Å; L920-N924 VanDerWaalsContact O-N 3.08Å; L920-N924 PolarHBondContact O-ND2 2.86Å; A921-N924 PolarHBondContact O-N 3.34Å; N924-N928 PolarHBondContact O-ND2 2.97Å |
| 925 | L | 52.8 | Low | 59.1 | Low | 103 Ų | 103 | 106.9 Ų | 106.9 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.2 | -36.1 | 172.7 | -78.7 | 163.4 | 0 | 0 | 0 | 111.8 | A921 L922 L923 N928 Y929 | A921-L925 PolarHBondContact O-N 3.4Å; A921-L925 VanDerWaalsContact O-N 3.12Å; L922-L925 PolarHBondContact O-N 3.04Å; L923-L925 VanDerWaalsContact C-N 3.31Å; L923-L925 PolarHBondContact O-N 3.23Å; L925-N928 PolarHBondContact O-N 3.17Å; L925-Y929 PolarHBondContact O-N 2.98Å |
| 926 | Q | 49.9 | Very low | 58 | Low | 133 Ų | 133 | 109.2 Ų | 109.2 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.8 | -38.9 | 174.2 | -75.6 | -177.3 | -31.3 | 0 | 0 | 112.4 | L922 L923 N928 Y929 E930 | L922-Q926 PolarHBondContact O-N 2.86Å; L923-Q926 PolarHBondContact O-N 2.97Å; Q926-N928 PolarHBondContact O-N 3.31Å; Q926-Y929 PolarHBondContact O-N 2.67Å; Q926-Y929 VanDerWaalsContact O-N 3.16Å; Q926-E930 PolarHBondContact O-N 2.63Å |
| 927 | Q | 51.3 | Low | 56.6 | Low | 133 Ų | 133 | 107.5 Ų | 107.5 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -12.8 | 176.3 | -73.8 | -173.1 | -12.6 | 0 | 0 | 115.1 | L923 | L923-Q927 PolarHBondContact O-N 3.25Å; L923-Q927 VanDerWaalsContact O-N 3.11Å |
| 928 | N | 49.8 | Very low | 55.5 | Low | 135 Ų | 135 | 106.8 Ų | 106.8 | 72% | 0.722 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -3.3 | 173.3 | -75.8 | -57.7 | 0 | 0 | 0 | 112.8 | N924 L925 Q926 | N924-N928 PolarHBondContact O-ND2 2.97Å; L925-N928 PolarHBondContact O-N 3.17Å; Q926-N928 PolarHBondContact O-N 3.31Å |
| 929 | Y | 47.2 | Very low | 54.5 | Low | 213 Ų | 213 | 114 Ų | 114 | 84% | 0.835 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -11.6 | 176 | -96.2 | -84.2 | 0 | 0 | 0 | 113.5 | L925 Q926 | L925-Y929 PolarHBondContact O-N 2.98Å; Q926-Y929 PolarHBondContact O-N 2.67Å; Q926-Y929 VanDerWaalsContact O-N 3.16Å |
| 930 | E | 34.6 | Very low | 53.3 | Low | 221 Ų | 221 | 118.7 Ų | 118.7 | 100% | 1.033 | 58% | 0.583 | S | S | * | * | trans | -86.2 | 0 | 157.8 | -70.1 | -175 | 162.4 | 0 | 0 | 110.2 | Q926 | Q926-E930 PolarHBondContact O-N 2.63Š|
Retrieved 930 of 930 residues in 2339 ms
(Link to these results)