| 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 | 86.6 | Confident | 94.5 | Very high | 125 Ų | 125 | 46 Ų | 46 | 62% | 0.616 | 24% | 0.243 | S | C | * | . | 0 | -60 | 0 | -88.7 | -140.8 | -96.7 | 0 | 0 | 113.7 | D3 R41 | M1-D3 VanDerWaalsContact C-N 3.31Å; M1-R41 PolarHBondContact O-NH2 2.88Å; M1-R41 HydrophobicContact SD-CB 3.88Å; M1-R41 HydrophobicContact SD-CG 3.64Å | |||
| 2 | S | 92.4 | Very high | 94.7 | Very high | 70 Ų | 70 | 42.8 Ų | 42.8 | 49% | 0.49 | 23% | 0.227 | S | C | . | . | trans | -81.3 | -5.7 | 177.6 | 46.5 | 0 | 0 | 0 | 0 | 114.6 | E4 | S2-E4 WeakPolarHBondContact CB-OE1 3.29Å; S2-E4 PolarHBondContact O-N 2.66Å; S2-E4 PolarHBondContact OG-OE1 2.83Å | ||
| 3 | D | 92.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 62.1 | 14.7 | -174 | -125.1 | 31.6 | 0 | 0 | 0 | 115.2 | M1 I5 P44 R46 | M1-D3 VanDerWaalsContact C-N 3.31Å; D3-I5 PolarHBondContact O-N 3.11Å; D3-P44 HydrophobicContact CB-CB 4.16Å; D3-P44 VanDerWaalsContact OD1-CB 3.29Å; D3-P44 WeakPolarHBondContact OD1-CB 3.39Å; D3-P44 WeakPolarHBondContact OD1-CG 3.29Å; D3-R46 IonicContact OD1-CZ 3.14Å; D3-R46 IonicContact OD1-NE 2.71Å; D3-R46 IonicContact OD1-NH2 3.99Å; D3-R46 PolarHBondContact OD1-NH2 3.42Å; D3-R46 IonicContact OD2-CZ 3.13Å; D3-R46 IonicContact OD2-NE 2.67Å; D3-R46 PolarHBondContact OD2-NE 2.56Å; D3-R46 IonicContact OD2-NH2 2.64Å |
| 4 | E | 94.2 | Very high | 95 | Very high | 147 Ų | 147 | 36.8 Ų | 36.8 | 69% | 0.687 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -59.3 | -34.6 | 166.6 | -71 | 166.4 | -110.6 | 0 | 0 | 112.9 | S2 M90 | S2-E4 WeakPolarHBondContact CB-OE1 3.29Å; S2-E4 PolarHBondContact O-N 2.66Å; S2-E4 PolarHBondContact OG-OE1 2.83Å; E4-M90 WeakPolarHBondContact O-CE 3.2Å |
| 5 | I | 96.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 36% | 0.359 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -111.8 | 119.3 | 172 | -66.2 | 172 | 0 | 0 | 0 | 105.9 | D3 C7 L88 M90 Y91 | D3-I5 PolarHBondContact O-N 3.11Å; I5-C7 PolarHBondContact O-N 2.66Å; I5-L88 HydrophobicContact CG2-CB 4.4Å; I5-L88 HydrophobicContact CG2-CD1 4.08Å; I5-M90 HydrophobicContact CG2-CB 4.17Å; I5-Y91 HydrophobicContact CD1-CD2 4.45Å |
| 6 | Y | 97.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 33 Ų | 33 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | trans | -59.8 | 134.5 | 171.1 | 175.9 | -95 | 0 | 0 | 0 | 110.4 | P8 M90 L124 Y429 D430 H433 | Y6-P8 HydrophobicContact CE1-CB 4.17Å; Y6-M90 PolarHBondContact N-SD 3.09Å; Y6-M90 VanDerWaalsContact N-SD 3.41Å; Y6-L124 HydrophobicContact CD1-CD1 4.16Å; Y6-L124 HydrophobicContact CD1-CD2 4.11Å; Y6-L124 HydrophobicContact CE1-CD1 4.44Å; Y6-L124 HydrophobicContact CG-CD2 4.14Å; Y6-Y429 HydrophobicContact CD2-CG 4.23Å; Y6-D430 WeakPolarHBondContact CE2-OD1 3.42Å; Y6-D430 PolarHBondContact OH-OD1 2.91Å; Y6-H433 HydrophobicContact CE1-CB 3.6Å; Y6-H433 AromaticContact CE1-CG 3.56Å; Y6-H433 AromaticContact CE1-ND1 3.81Å | ||
| 7 | C | 97.2 | Very high | 95.4 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 8% | 0.081 | 17% | 0.165 | C | C | . | . | trans | -138.6 | 129.2 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 108 | I5 T12 R46 L88 | I5-C7 PolarHBondContact O-N 2.66Å; C7-T12 PolarHBondContact SG-OG1 3.25Å; C7-R46 PolarHBondContact O-NH1 2.99Å; C7-R46 PolarHBondContact O-NH2 3.14Å; C7-L88 HydrophobicContact CB-CD1 4Å | ||
| 8 | P | 96.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | trans | -72.7 | 159.8 | 179.2 | 33.1 | -36.8 | 0 | 0 | 0 | 110.9 | Y6 E10 T11 T12 | Y6-P8 HydrophobicContact CE1-CB 4.17Å; P8-E10 WeakPolarHBondContact CB-OE2 3.45Å; P8-E10 WeakPolarHBondContact CG-OE1 3.41Å; P8-E10 PolarHBondContact O-N 3.19Å; P8-T11 PolarHBondContact O-N 3.1Å; P8-T12 WeakPolarHBondContact O-CB 3.44Å; P8-T12 PolarHBondContact O-N 3.2Å; P8-T12 PolarHBondContact O-OG1 2.65Å | ||
| 9 | P | 95.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | -169.3 | -29.5 | 41 | 0 | 0 | 0 | 114.9 | T12 V13 V47 Y51 L417 | P9-T12 WeakPolarHBondContact O-CB 3.43Å; P9-T12 PolarHBondContact O-N 2.97Å; P9-V13 PolarHBondContact O-N 3.28Å; P9-V13 VanDerWaalsContact O-N 3.09Å; P9-V47 HydrophobicContact CB-CG1 3.99Å; P9-V47 HydrophobicContact CG-CG1 4.46Å; P9-Y51 HydrophobicContact CB-CE2 3.75Å; P9-Y51 HydrophobicContact CG-CE2 3.6Å; P9-Y51 WeakPolarHBondContact CG-OH 2.96Å; P9-L417 HydrophobicContact CB-CD1 3.97Å |
| 10 | E | 94.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 179.3 | 74.9 | -67.7 | 174.5 | 0 | 0 | 112 | P8 T12 V13 L14 L410 L413 N414 L417 K437 | P8-E10 WeakPolarHBondContact CB-OE2 3.45Å; P8-E10 WeakPolarHBondContact CG-OE1 3.41Å; P8-E10 PolarHBondContact O-N 3.19Å; E10-T12 VanDerWaalsContact C-N 3.26Å; E10-T12 PolarHBondContact O-N 2.77Å; E10-V13 PolarHBondContact O-N 3.02Å; E10-L14 PolarHBondContact O-N 2.92Å; E10-L14 VanDerWaalsContact O-N 3.15Å; E10-L410 HydrophobicContact CB-CD2 4.16Å; E10-L410 HydrophobicContact CG-CB 4.32Å; E10-L410 HydrophobicContact CG-CD2 4.12Å; E10-L413 HydrophobicContact CB-CD2 3.98Å; E10-L413 HydrophobicContact CB-CG 4.16Å; E10-N414 HydrophobicContact CB-CB 4.06Å; E10-N414 HydrophobicContact CG-CB 4.07Å; E10-L417 HydrophobicContact CB-CD1 4.49Å; E10-K437 IonicContact OE1-NZ 2.75Å; E10-K437 PolarHBondContact OE1-NZ 3.03Å |
| 11 | T | 96.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.2 | -30.7 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | P8 L14 L15 I84 L88 | P8-T11 PolarHBondContact O-N 3.1Å; T11-L14 PolarHBondContact O-N 3.08Å; T11-L15 HydrophobicContact CG2-CD1 4.04Å; T11-L15 HydrophobicContact CG2-CG 4.19Å; T11-L15 VanDerWaalsContact O-CB 3.31Å; T11-L15 WeakPolarHBondContact O-CB 3.01Å; T11-L15 VanDerWaalsContact O-CG 3.25Å; T11-L15 WeakPolarHBondContact O-CG 3.27Å; T11-L15 PolarHBondContact O-N 2.82Å; T11-I84 HydrophobicContact CG2-CG2 3.74Å; T11-L88 HydrophobicContact CG2-CD2 4.25Å |
| 12 | T | 96.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 174.6 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | C7 P8 P9 E10 A16 M43 V47 | C7-T12 PolarHBondContact SG-OG1 3.25Å; P8-T12 WeakPolarHBondContact O-CB 3.44Å; P8-T12 PolarHBondContact O-N 3.2Å; P8-T12 PolarHBondContact O-OG1 2.65Å; P9-T12 WeakPolarHBondContact O-CB 3.43Å; P9-T12 PolarHBondContact O-N 2.97Å; E10-T12 VanDerWaalsContact C-N 3.26Å; E10-T12 PolarHBondContact O-N 2.77Å; T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 3.03Å; T12-M43 HydrophobicContact CG2-CB 3.58Å; T12-V47 HydrophobicContact CG2-CG1 4.3Å; T12-V47 HydrophobicContact CG2-CG2 4.38Å |
| 13 | V | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | P9 E10 A16 S17 W58 I62 L413 | P9-V13 PolarHBondContact O-N 3.28Å; P9-V13 VanDerWaalsContact O-N 3.09Å; E10-V13 PolarHBondContact O-N 3.02Å; V13-A16 WeakPolarHBondContact O-CB 3.43Å; V13-A16 PolarHBondContact O-N 2.85Å; V13-S17 PolarHBondContact O-N 3.34Å; V13-W58 HydrophobicContact CG2-CE3 4.02Å; V13-W58 HydrophobicContact CG2-CZ3 3.58Å; V13-I62 HydrophobicContact CG1-CG1 3.96Å; V13-L413 HydrophobicContact CB-CD2 3.86Å; V13-L413 HydrophobicContact CG1-CD2 3.9Å; V13-L413 HydrophobicContact CG2-CD2 4.31Å |
| 14 | L | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -47 | 179.1 | -179.3 | 59.4 | 0 | 0 | 0 | 111.6 | E10 T11 A16 S17 Y18 W65 I84 I406 L410 | E10-L14 PolarHBondContact O-N 2.92Å; E10-L14 VanDerWaalsContact O-N 3.15Å; T11-L14 PolarHBondContact O-N 3.08Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 2.88Å; L14-S17 PolarHBondContact O-N 3.21Å; L14-S17 VanDerWaalsContact O-N 3.14Å; L14-S17 PolarHBondContact O-OG 3.4Å; L14-Y18 HydrophobicContact CD1-CD2 4.08Å; L14-Y18 HydrophobicContact CD1-CE2 3.54Å; L14-Y18 HydrophobicContact CD2-CE2 4.34Å; L14-Y18 HydrophobicContact CG-CD2 4.09Å; L14-Y18 HydrophobicContact CG-CE2 3.74Å; L14-Y18 WeakPolarHBondContact O-CD2 3.31Å; L14-Y18 PolarHBondContact O-N 3.39Å; L14-Y18 VanDerWaalsContact O-N 3.13Å; L14-W65 HydrophobicContact CD1-CD2 4.06Å; L14-W65 HydrophobicContact CD1-CE3 3.58Å; L14-W65 HydrophobicContact CD1-CZ3 3.85Å; L14-I84 HydrophobicContact CD2-CD1 3.8Å; L14-I84 HydrophobicContact CG-CD1 4.19Å; L14-I406 HydrophobicContact CD2-CG2 3.7Å; L14-L410 HydrophobicContact CB-CD2 3.96Å; L14-L410 HydrophobicContact CD2-CD1 3.85Å; L14-L410 HydrophobicContact CD2-CD2 3.92Å; L14-L410 HydrophobicContact CD2-CG 4.13Å |
| 15 | L | 97.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 174.7 | -72.9 | 178 | 0 | 0 | 0 | 112.2 | T11 S17 Y18 A19 Y81 I84 A85 | T11-L15 HydrophobicContact CG2-CD1 4.04Å; T11-L15 HydrophobicContact CG2-CG 4.19Å; T11-L15 VanDerWaalsContact O-CB 3.31Å; T11-L15 WeakPolarHBondContact O-CB 3.01Å; T11-L15 VanDerWaalsContact O-CG 3.25Å; T11-L15 WeakPolarHBondContact O-CG 3.27Å; T11-L15 PolarHBondContact O-N 2.82Å; L15-S17 PolarHBondContact O-N 3.17Å; L15-Y18 PolarHBondContact O-N 2.95Å; L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 2.96Å; L15-Y81 HydrophobicContact CB-CD2 4.02Å; L15-Y81 HydrophobicContact CB-CE2 3.65Å; L15-Y81 HydrophobicContact CD2-CD1 4.17Å; L15-Y81 HydrophobicContact CD2-CD2 3.77Å; L15-Y81 HydrophobicContact CD2-CE1 4.34Å; L15-Y81 HydrophobicContact CD2-CE2 3.99Å; L15-Y81 HydrophobicContact CD2-CG 3.85Å; L15-Y81 VanDerWaalsContact CD2-O 3.31Å; L15-Y81 WeakPolarHBondContact CD2-O 3.36Å; L15-Y81 HydrophobicContact CG-CD2 4.48Å; L15-Y81 HydrophobicContact CG-CE2 4.29Å; L15-Y81 VanDerWaalsContact O-CD2 3.23Å; L15-Y81 WeakPolarHBondContact O-CD2 3.32Å; L15-Y81 WeakPolarHBondContact O-CE2 3.42Å; L15-I84 HydrophobicContact CD2-CB 4.01Å; L15-I84 HydrophobicContact CD2-CG2 3.99Å; L15-I84 HydrophobicContact CG-CG2 4.38Å; L15-A85 HydrophobicContact CD1-CB 4.3Å; L15-A85 HydrophobicContact CD2-CB 4.25Å |
| 16 | A | 97.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | T12 V13 L14 A19 M20 L42 I62 | T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 3.03Å; V13-A16 WeakPolarHBondContact O-CB 3.43Å; V13-A16 PolarHBondContact O-N 2.85Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 2.88Å; A16-A19 WeakPolarHBondContact O-CB 3.49Å; A16-A19 PolarHBondContact O-N 3.12Å; A16-M20 WeakPolarHBondContact O-CG 3.44Å; A16-M20 PolarHBondContact O-N 2.82Å; A16-L42 HydrophobicContact CB-CB 4.1Å; A16-I62 HydrophobicContact CB-CD1 3.82Å; A16-I62 HydrophobicContact CB-CG1 4.11Å; A16-I62 HydrophobicContact CB-CG2 4.11Å |
| 17 | S | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.8 | 74 | 0 | 0 | 0 | 0 | 113.1 | V13 L14 L15 M20 Q21 W65 H69 | V13-S17 PolarHBondContact O-N 3.34Å; L14-S17 PolarHBondContact O-N 3.21Å; L14-S17 VanDerWaalsContact O-N 3.14Å; L14-S17 PolarHBondContact O-OG 3.4Å; L15-S17 PolarHBondContact O-N 3.17Å; S17-M20 PolarHBondContact O-N 3.01Å; S17-Q21 PolarHBondContact O-N 2.57Å; S17-W65 WeakPolarHBondContact OG-CB 3.27Å; S17-H69 PolarHBondContact OG-NE2 3.39Å |
| 18 | Y | 97.6 | Very high | 96 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | 171.8 | -76.1 | -64.1 | 0 | 0 | 0 | 112.3 | L14 L15 M20 Q21 A22 H69 M72 A77 E80 I84 | L14-Y18 HydrophobicContact CD1-CD2 4.08Å; L14-Y18 HydrophobicContact CD1-CE2 3.54Å; L14-Y18 HydrophobicContact CD2-CE2 4.34Å; L14-Y18 HydrophobicContact CG-CD2 4.09Å; L14-Y18 HydrophobicContact CG-CE2 3.74Å; L14-Y18 WeakPolarHBondContact O-CD2 3.31Å; L14-Y18 PolarHBondContact O-N 3.39Å; L14-Y18 VanDerWaalsContact O-N 3.13Å; L15-Y18 PolarHBondContact O-N 2.95Å; Y18-M20 VanDerWaalsContact C-N 3.3Å; Y18-M20 PolarHBondContact O-N 2.95Å; Y18-Q21 PolarHBondContact O-N 3.48Å; Y18-A22 VanDerWaalsContact O-CB 3.28Å; Y18-A22 WeakPolarHBondContact O-CB 3.47Å; Y18-A22 PolarHBondContact O-N 2.99Å; Y18-H69 AromaticContact CD1-CE1 3.88Å; Y18-H69 AromaticContact CD1-NE2 3.79Å; Y18-H69 AromaticContact CE1-CE1 3.3Å; Y18-H69 WeakPolarHBondContact CE1-CE1 3.27Å; Y18-H69 AromaticContact CE1-ND1 3.47Å; Y18-H69 WeakPolarHBondContact CE1-ND1 3.41Å; Y18-H69 AromaticContact CE1-NE2 3.71Å; Y18-H69 AromaticContact CE2-CE1 3.91Å; Y18-H69 AromaticContact CZ-CE1 3.32Å; Y18-H69 AromaticContact CZ-ND1 3.87Å; Y18-H69 AromaticContact CZ-NE2 3.89Å; Y18-M72 HydrophobicContact CD1-SD 4.15Å; Y18-M72 HydrophobicContact CE1-CE 3.99Å; Y18-M72 HydrophobicContact CE1-SD 3.87Å; Y18-A77 HydrophobicContact CD1-CB 4.45Å; Y18-E80 HydrophobicContact CD1-CB 3.84Å; Y18-E80 HydrophobicContact CE1-CB 3.52Å; Y18-E80 HydrophobicContact CE1-CG 4.02Å; Y18-E80 HydrophobicContact CE2-CB 4.32Å; Y18-E80 HydrophobicContact CG-CB 4.37Å; Y18-I84 HydrophobicContact CD2-CD1 3.97Å; Y18-I84 HydrophobicContact CE2-CD1 3.42Å; Y18-I84 VanDerWaalsContact CE2-CD1 3.42Å |
| 19 | A | 97.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 25.7 Ų | 25.7 | 28% | 0.281 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64 | -35.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L15 A16 R23 Y81 | L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 2.96Å; A16-A19 WeakPolarHBondContact O-CB 3.49Å; A16-A19 PolarHBondContact O-N 3.12Å; A19-R23 WeakPolarHBondContact O-CB 2.82Å; A19-R23 PolarHBondContact O-N 3.46Å; A19-Y81 HydrophobicContact CB-CD2 4.37Å; A19-Y81 HydrophobicContact CB-CE2 4.29Å |
| 20 | M | 96.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.1 | -44.2 | 174.4 | -65.5 | -53.7 | 94.4 | 0 | 0 | 112.1 | A16 S17 Y18 A22 R23 Y24 L37 E40 L42 I62 W66 | A16-M20 WeakPolarHBondContact O-CG 3.44Å; A16-M20 PolarHBondContact O-N 2.82Å; S17-M20 PolarHBondContact O-N 3.01Å; Y18-M20 VanDerWaalsContact C-N 3.3Å; Y18-M20 PolarHBondContact O-N 2.95Å; M20-A22 VanDerWaalsContact C-N 3.34Å; M20-A22 PolarHBondContact O-N 3.42Å; M20-R23 PolarHBondContact O-N 3.14Å; M20-Y24 WeakPolarHBondContact O-CB 3.48Å; M20-Y24 PolarHBondContact O-N 3.12Å; M20-Y24 HydrophobicContact SD-CD2 3.94Å; M20-Y24 HydrophobicContact SD-CE2 3.86Å; M20-L37 HydrophobicContact CG-CD1 4.1Å; M20-L37 HydrophobicContact CG-CD2 4.18Å; M20-L37 HydrophobicContact SD-CD1 4.29Å; M20-L37 HydrophobicContact SD-CD2 3.44Å; M20-L37 WeakPolarHBondContact SD-CD2 3.49Å; M20-E40 HydrophobicContact SD-CG 4.38Å; M20-L42 HydrophobicContact CE-CD2 3.48Å; M20-L42 VanDerWaalsContact CE-CD2 3.48Å; M20-L42 HydrophobicContact CG-CD2 4.19Å; M20-L42 HydrophobicContact SD-CD2 3.74Å; M20-I62 HydrophobicContact CG-CG2 4.37Å; M20-W66 HydrophobicContact CB-CD2 3.6Å; M20-W66 HydrophobicContact CB-CE3 3.78Å; M20-W66 HydrophobicContact CB-CG 3.96Å; M20-W66 HydrophobicContact CB-CZ2 4.38Å; M20-W66 HydrophobicContact CB-CZ3 4.22Å; M20-W66 HydrophobicContact CG-CE3 4.28Å |
| 21 | Q | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 172.8 | -174.8 | 67.2 | 19.9 | 0 | 0 | 111.9 | S17 Y18 R23 A25 D26 W66 H69 M72 A77 | S17-Q21 PolarHBondContact O-N 2.57Å; Y18-Q21 PolarHBondContact O-N 3.48Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 3.09Å; Q21-A25 WeakPolarHBondContact O-CA 3.46Å; Q21-A25 PolarHBondContact O-N 3.49Å; Q21-A25 PolarHBondContact OE1-O 2.88Å; Q21-A25 VanDerWaalsContact OE1-O 3.06Å; Q21-D26 PolarHBondContact NE2-OD1 3.3Å; Q21-W66 VanDerWaalsContact OE1-NE1 3.14Å; Q21-H69 HydrophobicContact CB-CB 4.01Å; Q21-H69 VanDerWaalsContact CD-O 3.28Å; Q21-H69 HydrophobicContact CG-CB 3.76Å; Q21-H69 PolarHBondContact NE2-O 3Å; Q21-M72 HydrophobicContact CG-CB 4.11Å; Q21-M72 PolarHBondContact NE2-O 3.2Å; Q21-A77 HydrophobicContact CB-CB 3.85Å; Q21-A77 HydrophobicContact CG-CB 3.74Å |
| 22 | A | 96.5 | Very high | 95.1 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y18 M20 K74 A77 M78 | Y18-A22 VanDerWaalsContact O-CB 3.28Å; Y18-A22 WeakPolarHBondContact O-CB 3.47Å; Y18-A22 PolarHBondContact O-N 2.99Å; M20-A22 VanDerWaalsContact C-N 3.34Å; M20-A22 PolarHBondContact O-N 3.42Å; A22-K74 WeakPolarHBondContact O-CB 3.2Å; A22-K74 VanDerWaalsContact O-CD 3.23Å; A22-K74 WeakPolarHBondContact O-CD 3.36Å; A22-K74 VanDerWaalsContact O-CG 3.3Å; A22-K74 WeakPolarHBondContact O-CG 3.4Å; A22-A77 HydrophobicContact CB-CB 3.99Å; A22-M78 HydrophobicContact CB-CG 3.66Å |
| 23 | R | 95.1 | Very high | 94.9 | Very high | 131 Ų | 131 | 48.3 Ų | 48.3 | 49% | 0.494 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -82.6 | -51.4 | -178.1 | -174.5 | 164.3 | 175.7 | -179.7 | -18.6 | 112.9 | A19 M20 Q21 E40 K74 | A19-R23 WeakPolarHBondContact O-CB 2.82Å; A19-R23 PolarHBondContact O-N 3.46Å; M20-R23 PolarHBondContact O-N 3.14Å; Q21-R23 VanDerWaalsContact C-N 3.32Å; Q21-R23 PolarHBondContact O-N 3.09Å; R23-E40 IonicContact CZ-OE1 2.95Å; R23-E40 IonicContact CZ-OE2 2.67Å; R23-E40 IonicContact NE-OE1 2.68Å; R23-E40 IonicContact NH1-OE1 2.7Å; R23-E40 PolarHBondContact NH1-OE1 2.81Å; R23-E40 IonicContact NH1-OE2 3.79Å; R23-E40 PolarHBondContact NH1-OE2 3.35Å; R23-E40 IonicContact NH2-OE1 2.73Å; R23-E40 PolarHBondContact NH2-OE1 3.26Å; R23-E40 IonicContact NH2-OE2 3.09Å; R23-K74 PolarHBondContact O-NZ 3.41Å |
| 24 | Y | 94.6 | Very high | 94.6 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 28% | 0.275 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -104.4 | -7.1 | -168.1 | -64.9 | -72.2 | 0 | 0 | 0 | 114.4 | M20 F36 E40 W66 | M20-Y24 WeakPolarHBondContact O-CB 3.48Å; M20-Y24 PolarHBondContact O-N 3.12Å; M20-Y24 HydrophobicContact SD-CD2 3.94Å; M20-Y24 HydrophobicContact SD-CE2 3.86Å; Y24-F36 HydrophobicContact CD1-CE1 4.11Å; Y24-F36 AromaticContact CD1-CZ 3.76Å; Y24-F36 HydrophobicContact CD1-CZ 3.76Å; Y24-F36 HydrophobicContact CD2-CE1 4.15Å; Y24-F36 HydrophobicContact CE1-CE1 4.11Å; Y24-F36 AromaticContact CE1-CZ 3.65Å; Y24-F36 HydrophobicContact CE1-CZ 3.65Å; Y24-F36 HydrophobicContact CE2-CE1 4.16Å; Y24-F36 HydrophobicContact CG-CE1 4.13Å; Y24-F36 HydrophobicContact CG-CZ 4.24Å; Y24-E40 PolarHBondContact OH-OE1 2.8Å; Y24-W66 HydrophobicContact CD2-CH2 4.37Å; Y24-W66 HydrophobicContact CG-CH2 4.34Å; Y24-W66 HydrophobicContact CG-CZ2 4.48Å |
| 25 | A | 93.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | trans | 59.1 | -154.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q21 W66 | Q21-A25 WeakPolarHBondContact O-CA 3.46Å; Q21-A25 PolarHBondContact O-N 3.49Å; Q21-A25 PolarHBondContact OE1-O 2.88Å; Q21-A25 VanDerWaalsContact OE1-O 3.06Å; A25-W66 WeakPolarHBondContact O-CZ2 3.4Å; A25-W66 PolarHBondContact O-NE1 3.12Å | ||
| 26 | D | 94.1 | Very high | 94 | Very high | 40 Ų | 40 | 58.7 Ų | 58.7 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -56.5 | 137 | -170.4 | -64.5 | -0.4 | 0 | 0 | 0 | 113.1 | Q21 S28 R70 C71 R210 | Q21-D26 PolarHBondContact NE2-OD1 3.3Å; D26-S28 PolarHBondContact O-N 2.64Å; D26-R70 HydrophobicContact CB-CG 4.24Å; D26-C71 PolarHBondContact OD1-N 2.77Å; D26-C71 PolarHBondContact OD2-N 2.81Å; D26-R210 IonicContact OD1-NH2 2.89Å |
| 27 | F | 94.8 | Very high | 93.8 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 18% | 0.184 | 29% | 0.292 | C | S | . | . | trans | -66 | 123.2 | 174 | 177.8 | -104.7 | 0 | 0 | 0 | 111.9 | P29 H32 V63 W66 | F27-P29 HydrophobicContact CD1-CG 4.44Å; F27-P29 HydrophobicContact CE1-CB 4.43Å; F27-P29 HydrophobicContact CE1-CG 3.81Å; F27-P29 HydrophobicContact CZ-CG 4.45Å; F27-H32 HydrophobicContact CD2-CB 3.74Å; F27-H32 AromaticContact CD2-ND1 3.74Å; F27-H32 HydrophobicContact CE2-CB 3.5Å; F27-H32 WeakPolarHBondContact CE2-O 3.38Å; F27-V63 HydrophobicContact CD1-CG1 4.39Å; F27-V63 HydrophobicContact CD2-CG1 4.09Å; F27-V63 HydrophobicContact CE1-CG1 3.85Å; F27-V63 HydrophobicContact CE2-CG1 3.52Å; F27-V63 HydrophobicContact CE2-CG2 4.23Å; F27-V63 HydrophobicContact CG-CG1 4.5Å; F27-V63 HydrophobicContact CZ-CG1 3.4Å; F27-W66 HydrophobicContact CB-CD2 3.93Å; F27-W66 HydrophobicContact CB-CE3 4.4Å; F27-W66 HydrophobicContact CB-CG 4.17Å; F27-W66 HydrophobicContact CB-CZ2 4.29Å; F27-W66 HydrophobicContact CD2-CD2 4.12Å; F27-W66 AromaticContact CD2-CE3 3.71Å; F27-W66 HydrophobicContact CD2-CE3 3.71Å; F27-W66 HydrophobicContact CD2-CH2 4.11Å; F27-W66 HydrophobicContact CD2-CZ2 4.45Å; F27-W66 AromaticContact CD2-CZ3 3.73Å; F27-W66 HydrophobicContact CD2-CZ3 3.73Å; F27-W66 HydrophobicContact CE2-CZ3 4.4Å; F27-W66 HydrophobicContact CG-CD2 4.44Å; F27-W66 HydrophobicContact CG-CE3 4.45Å | ||
| 28 | S | 92.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | trans | -116.7 | 120.4 | 168.6 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | D26 E30 M31 H32 | D26-S28 PolarHBondContact O-N 2.64Å; S28-E30 PolarHBondContact O-N 2.88Å; S28-E30 VanDerWaalsContact O-N 3.16Å; S28-M31 PolarHBondContact O-N 3.21Å; S28-H32 PolarHBondContact N-ND1 3.12Å; S28-H32 WeakPolarHBondContact O-CB 3.49Å; S28-H32 PolarHBondContact O-N 3.11Å | ||
| 29 | P | 92 | Very high | 92.8 | Very high | 93 Ų | 93 | 70.2 Ų | 70.2 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.2 | 177.5 | -24.2 | 32.5 | 0 | 0 | 0 | 114.8 | F27 | F27-P29 HydrophobicContact CD1-CG 4.44Å; F27-P29 HydrophobicContact CE1-CB 4.43Å; F27-P29 HydrophobicContact CE1-CG 3.81Å; F27-P29 HydrophobicContact CZ-CG 4.45Å |
| 30 | E | 90.6 | Very high | 92.4 | Very high | 154 Ų | 154 | 70.5 Ų | 70.5 | 72% | 0.72 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -36.4 | -177.6 | -60 | -178.2 | 164.3 | 0 | 0 | 112.1 | S28 R33 | S28-E30 PolarHBondContact O-N 2.88Å; S28-E30 VanDerWaalsContact O-N 3.16Å; E30-R33 PolarHBondContact O-NE 3Å; E30-R33 VanDerWaalsContact O-NE 3.07Å |
| 31 | M | 89.4 | Confident | 92.1 | Very high | 137 Ų | 137 | 77.4 Ų | 77.4 | 68% | 0.675 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -47.7 | 179 | -54.4 | -171 | -155.5 | 0 | 0 | 111.6 | S28 R33 | S28-M31 PolarHBondContact O-N 3.21Å; M31-R33 PolarHBondContact O-N 3.16Å |
| 32 | H | 93.1 | Very high | 91.7 | Very high | 23 Ų | 23 | 78.8 Ų | 78.8 | 11% | 0.106 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -96.2 | 66.8 | -173 | -50.7 | 150.1 | 0 | 0 | 0 | 110.3 | F27 S28 F36 W66 | F27-H32 HydrophobicContact CD2-CB 3.74Å; F27-H32 AromaticContact CD2-ND1 3.74Å; F27-H32 HydrophobicContact CE2-CB 3.5Å; F27-H32 WeakPolarHBondContact CE2-O 3.38Å; S28-H32 PolarHBondContact N-ND1 3.12Å; S28-H32 WeakPolarHBondContact O-CB 3.49Å; S28-H32 PolarHBondContact O-N 3.11Å; H32-F36 HydrophobicContact CB-CD1 4.02Å; H32-F36 HydrophobicContact CB-CE1 4.36Å; H32-F36 HydrophobicContact CB-CG 4.25Å; H32-F36 AromaticContact CD2-CE1 3.56Å; H32-F36 AromaticContact CD2-CE2 3.78Å; H32-F36 AromaticContact CD2-CZ 3.4Å; H32-F36 WeakPolarHBondContact CD2-CZ 3.45Å; H32-F36 AromaticContact CG-CE1 3.99Å; H32-F36 AromaticContact NE2-CZ 3.91Å; H32-W66 HydrophobicContact CB-CH2 4.25Å; H32-W66 HydrophobicContact CB-CZ3 4.37Å; H32-W66 AromaticContact CE1-CH2 3.5Å; H32-W66 AromaticContact CE1-CZ2 3.59Å; H32-W66 AromaticContact CG-CH2 3.64Å; H32-W66 AromaticContact ND1-CH2 3.15Å; H32-W66 WeakPolarHBondContact ND1-CH2 3.47Å; H32-W66 AromaticContact ND1-CZ2 3.51Å; H32-W66 AromaticContact ND1-CZ3 3.98Å |
| 33 | R | 91.2 | Very high | 91.6 | Very high | 185 Ų | 185 | 78.6 Ų | 78.6 | 70% | 0.698 | 38% | 0.382 | S | S | * | . | trans | -70.2 | 161.1 | 179.2 | -54.4 | -179.8 | -168.9 | 179.3 | 2.9 | 110.8 | E30 M31 G35 F36 | E30-R33 PolarHBondContact O-NE 3Å; E30-R33 VanDerWaalsContact O-NE 3.07Å; M31-R33 PolarHBondContact O-N 3.16Å; R33-G35 PolarHBondContact O-N 2.86Å; R33-F36 WeakPolarHBondContact O-CB 3.38Å; R33-F36 PolarHBondContact O-N 2.67Å | ||
| 34 | K | 90.6 | Very high | 91.6 | Very high | 123 Ų | 123 | 72.6 Ų | 72.6 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 137.2 | 173.7 | -80.3 | -175.7 | 164.9 | -96.6 | 0 | 111.4 | E56 D60 | K34-E56 WeakPolarHBondContact CD-OE1 3.41Å; K34-E56 IonicContact NZ-OE1 2.7Å; K34-E56 PolarHBondContact NZ-OE1 2.8Å; K34-D60 WeakPolarHBondContact CE-OD1 3.47Å; K34-D60 IonicContact NZ-OD1 2.8Å; K34-D60 PolarHBondContact NZ-OD1 2.83Å; K34-D60 IonicContact NZ-OD2 3.57Å; K34-D60 PolarHBondContact NZ-OD2 3.46Å |
| 35 | G | 91.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 74 Ų | 74 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -3.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R33 L37 T38 E59 | R33-G35 PolarHBondContact O-N 2.86Å; G35-L37 VanDerWaalsContact C-N 3.26Å; G35-L37 PolarHBondContact O-N 2.95Å; G35-T38 WeakPolarHBondContact CA-OG1 3.22Å; G35-T38 WeakPolarHBondContact O-CB 2.91Å; G35-T38 PolarHBondContact O-N 2.93Å; G35-T38 PolarHBondContact O-OG1 2.91Å; G35-E59 WeakPolarHBondContact CA-OE2 3.15Å; G35-E59 PolarHBondContact N-OE1 3.38Å; G35-E59 PolarHBondContact N-OE2 2.92Å |
| 36 | F | 92 | Very high | 91.6 | Very high | 70 Ų | 70 | 73.9 Ų | 73.9 | 31% | 0.307 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -35.8 | 177.6 | 178.1 | -103.3 | 0 | 0 | 0 | 112.5 | Y24 H32 R33 E59 W66 | Y24-F36 HydrophobicContact CD1-CE1 4.11Å; Y24-F36 AromaticContact CD1-CZ 3.76Å; Y24-F36 HydrophobicContact CD1-CZ 3.76Å; Y24-F36 HydrophobicContact CD2-CE1 4.15Å; Y24-F36 HydrophobicContact CE1-CE1 4.11Å; Y24-F36 AromaticContact CE1-CZ 3.65Å; Y24-F36 HydrophobicContact CE1-CZ 3.65Å; Y24-F36 HydrophobicContact CE2-CE1 4.16Å; Y24-F36 HydrophobicContact CG-CE1 4.13Å; Y24-F36 HydrophobicContact CG-CZ 4.24Å; H32-F36 HydrophobicContact CB-CD1 4.02Å; H32-F36 HydrophobicContact CB-CE1 4.36Å; H32-F36 HydrophobicContact CB-CG 4.25Å; H32-F36 AromaticContact CD2-CE1 3.56Å; H32-F36 AromaticContact CD2-CE2 3.78Å; H32-F36 AromaticContact CD2-CZ 3.4Å; H32-F36 WeakPolarHBondContact CD2-CZ 3.45Å; H32-F36 AromaticContact CG-CE1 3.99Å; H32-F36 AromaticContact NE2-CZ 3.91Å; R33-F36 WeakPolarHBondContact O-CB 3.38Å; R33-F36 PolarHBondContact O-N 2.67Å; F36-E59 PolarHBondContact N-OE1 2.86Å; F36-E59 VanDerWaalsContact N-OE1 3.09Å; F36-W66 HydrophobicContact CD1-CH2 4.45Å; F36-W66 HydrophobicContact CD1-CZ3 4.38Å; F36-W66 AromaticContact CE1-CH2 4Å; F36-W66 HydrophobicContact CE1-CH2 4Å; F36-W66 HydrophobicContact CE1-CZ3 4.35Å |
| 37 | L | 92.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 3 | 179.9 | -56.7 | -172.6 | 0 | 0 | 0 | 114.4 | M20 G35 N39 E40 L42 E59 I62 V63 W66 | M20-L37 HydrophobicContact CG-CD1 4.1Å; M20-L37 HydrophobicContact CG-CD2 4.18Å; M20-L37 HydrophobicContact SD-CD1 4.29Å; M20-L37 HydrophobicContact SD-CD2 3.44Å; M20-L37 WeakPolarHBondContact SD-CD2 3.49Å; G35-L37 VanDerWaalsContact C-N 3.26Å; G35-L37 PolarHBondContact O-N 2.95Å; L37-N39 PolarHBondContact O-N 3.49Å; L37-N39 VanDerWaalsContact O-N 3.09Å; L37-E40 HydrophobicContact CD2-CG 4.37Å; L37-E40 WeakPolarHBondContact O-CB 3.44Å; L37-E40 PolarHBondContact O-N 2.87Å; L37-L42 HydrophobicContact CB-CD1 4.05Å; L37-L42 HydrophobicContact CD1-CD1 4.01Å; L37-E59 HydrophobicContact CB-CG 4.12Å; L37-E59 WeakPolarHBondContact CB-OE1 3.37Å; L37-E59 HydrophobicContact CD1-CG 4.2Å; L37-E59 HydrophobicContact CG-CG 4.24Å; L37-E59 PolarHBondContact N-OE1 3.3Å; L37-I62 HydrophobicContact CD1-CG2 4.17Å; L37-V63 HydrophobicContact CD1-CG2 4.19Å; L37-W66 HydrophobicContact CD2-CZ3 4.23Å |
| 38 | T | 88 | Confident | 91.6 | Very high | 101 Ų | 101 | 75.4 Ų | 75.4 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.7 | -177.5 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | G35 | G35-T38 WeakPolarHBondContact CA-OG1 3.22Å; G35-T38 WeakPolarHBondContact O-CB 2.91Å; G35-T38 PolarHBondContact O-N 2.93Å; G35-T38 PolarHBondContact O-OG1 2.91Å |
| 39 | N | 86.2 | Confident | 91.6 | Very high | 152 Ų | 152 | 78.7 Ų | 78.7 | 81% | 0.813 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -3.1 | -177.6 | -65.7 | -43.9 | 0 | 0 | 0 | 113.6 | L37 | L37-N39 PolarHBondContact O-N 3.49Å; L37-N39 VanDerWaalsContact O-N 3.09Å |
| 40 | E | 89.8 | Confident | 91.7 | Very high | 40 Ų | 40 | 74.4 Ų | 74.4 | 19% | 0.187 | 35% | 0.349 | C | S | . | . | trans | -89.2 | 131.4 | -176.2 | -73.6 | -59.3 | 130.3 | 0 | 0 | 112.4 | M20 R23 Y24 L37 L42 | M20-E40 HydrophobicContact SD-CG 4.38Å; R23-E40 IonicContact CZ-OE1 2.95Å; R23-E40 IonicContact CZ-OE2 2.67Å; R23-E40 IonicContact NE-OE1 2.68Å; R23-E40 IonicContact NH1-OE1 2.7Å; R23-E40 PolarHBondContact NH1-OE1 2.81Å; R23-E40 IonicContact NH1-OE2 3.79Å; R23-E40 PolarHBondContact NH1-OE2 3.35Å; R23-E40 IonicContact NH2-OE1 2.73Å; R23-E40 PolarHBondContact NH2-OE1 3.26Å; R23-E40 IonicContact NH2-OE2 3.09Å; Y24-E40 PolarHBondContact OH-OE1 2.8Å; L37-E40 HydrophobicContact CD2-CG 4.37Å; L37-E40 WeakPolarHBondContact O-CB 3.44Å; L37-E40 PolarHBondContact O-N 2.87Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 HydrophobicContact CB-CD2 3.69Å; E40-L42 HydrophobicContact CB-CG 3.95Å; E40-L42 PolarHBondContact O-N 2.83Å | ||
| 41 | R | 90.2 | Very high | 91.9 | Very high | 150 Ų | 150 | 67.5 Ų | 67.5 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | trans | -81.3 | 83.5 | 172.6 | -170.7 | -179.8 | 175.7 | 166.7 | 0.5 | 109.4 | M1 | M1-R41 PolarHBondContact O-NH2 2.88Å; M1-R41 HydrophobicContact SD-CB 3.88Å; M1-R41 HydrophobicContact SD-CG 3.64Å | ||
| 42 | L | 87.5 | Confident | 92.1 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | trans | -80.9 | -30.6 | -174.3 | -58.3 | 173.4 | 0 | 0 | 0 | 114 | A16 M20 L37 E40 I62 | A16-L42 HydrophobicContact CB-CB 4.1Å; M20-L42 HydrophobicContact CE-CD2 3.48Å; M20-L42 VanDerWaalsContact CE-CD2 3.48Å; M20-L42 HydrophobicContact CG-CD2 4.19Å; M20-L42 HydrophobicContact SD-CD2 3.74Å; L37-L42 HydrophobicContact CB-CD1 4.05Å; L37-L42 HydrophobicContact CD1-CD1 4.01Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 HydrophobicContact CB-CD2 3.69Å; E40-L42 HydrophobicContact CB-CG 3.95Å; E40-L42 PolarHBondContact O-N 2.83Å; L42-I62 HydrophobicContact CB-CD1 3.94Å; L42-I62 HydrophobicContact CD1-CD1 3.48Å; L42-I62 VanDerWaalsContact CD1-CD1 3.48Å; L42-I62 HydrophobicContact CG-CD1 4.27Å | ||
| 43 | M | 93.7 | Very high | 92.1 | Very high | 15 Ų | 15 | 67 Ų | 67 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -141.9 | 159.3 | -167.4 | 60.6 | -174.2 | 68.3 | 0 | 0 | 113.5 | T12 V47 R48 W58 I62 | T12-M43 HydrophobicContact CG2-CB 3.58Å; M43-V47 HydrophobicContact CB-CB 4.48Å; M43-V47 HydrophobicContact SD-CG1 4.31Å; M43-R48 HydrophobicContact CG-CB 4.42Å; M43-R48 HydrophobicContact SD-CB 4.05Å; M43-R48 HydrophobicContact SD-CG 4.16Å; M43-W58 HydrophobicContact CE-CB 3.89Å; M43-W58 HydrophobicContact CE-CD2 3.65Å; M43-W58 HydrophobicContact CE-CE3 3.76Å; M43-W58 HydrophobicContact CE-CG 3.76Å; M43-W58 HydrophobicContact CE-CZ3 4.45Å; M43-W58 HydrophobicContact SD-CD2 4.02Å; M43-W58 HydrophobicContact SD-CE3 4.47Å; M43-W58 HydrophobicContact SD-CG 4.21Å; M43-W58 HydrophobicContact SD-CZ2 4.43Å; M43-I62 HydrophobicContact CE-CD1 3.88Å |
| 44 | P | 95.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | trans | -61.8 | 153.7 | 167.1 | -16.6 | 30.9 | 0 | 0 | 0 | 112.1 | D3 R46 V47 R48 | D3-P44 HydrophobicContact CB-CB 4.16Å; D3-P44 VanDerWaalsContact OD1-CB 3.29Å; D3-P44 WeakPolarHBondContact OD1-CB 3.39Å; D3-P44 WeakPolarHBondContact OD1-CG 3.29Å; P44-R46 VanDerWaalsContact C-N 3.33Å; P44-R46 PolarHBondContact O-N 2.75Å; P44-V47 HydrophobicContact CB-CG2 4.37Å; P44-V47 HydrophobicContact CG-CG2 4.15Å; P44-V47 PolarHBondContact O-N 3.15Å; P44-R48 PolarHBondContact O-N 2.93Å | ||
| 45 | E | 93.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 177 | -156.9 | 112.9 | -99.4 | 0 | 0 | 111.8 | V47 R48 E49 | E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 2.9Å; E45-R48 WeakPolarHBondContact O-CA 3.4Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 2.84Å; E45-R48 IonicContact OE1-CZ 3.48Å; E45-R48 IonicContact OE1-NH1 3.69Å; E45-R48 PolarHBondContact OE1-NH1 2.71Å; E45-R48 IonicContact OE1-NH2 3.99Å; E45-R48 PolarHBondContact OE1-NH2 2.86Å; E45-E49 PolarHBondContact O-N 2.97Å |
| 46 | R | 95.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 62 Ų | 62 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -47.6 | -48.3 | 173.6 | 173.9 | -178.8 | 52.9 | 81.2 | 11.1 | 112.6 | D3 C7 P44 R48 E49 Q50 T427 D430 | D3-R46 IonicContact OD1-CZ 3.14Å; D3-R46 IonicContact OD1-NE 2.71Å; D3-R46 IonicContact OD1-NH2 3.99Å; D3-R46 PolarHBondContact OD1-NH2 3.42Å; D3-R46 IonicContact OD2-CZ 3.13Å; D3-R46 IonicContact OD2-NE 2.67Å; D3-R46 PolarHBondContact OD2-NE 2.56Å; D3-R46 IonicContact OD2-NH2 2.64Å; C7-R46 PolarHBondContact O-NH1 2.99Å; C7-R46 PolarHBondContact O-NH2 3.14Å; P44-R46 VanDerWaalsContact C-N 3.33Å; P44-R46 PolarHBondContact O-N 2.75Å; R46-R48 VanDerWaalsContact C-N 3.34Å; R46-E49 PolarHBondContact O-N 3.26Å; R46-Q50 VanDerWaalsContact O-CB 3.31Å; R46-Q50 WeakPolarHBondContact O-CB 3.48Å; R46-Q50 VanDerWaalsContact O-CG 3.23Å; R46-Q50 WeakPolarHBondContact O-CG 3.44Å; R46-Q50 PolarHBondContact O-N 3.42Å; R46-Q50 VanDerWaalsContact O-N 3.09Å; R46-T427 HydrophobicContact CG-CG2 3.88Å; R46-D430 IonicContact CZ-OD1 2.8Å; R46-D430 IonicContact NH1-OD1 3.92Å; R46-D430 PolarHBondContact NH1-OD1 3.49Å |
| 47 | V | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.5 | -36.6 | -178.7 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | P9 T12 M43 P44 E45 Y51 W58 | P9-V47 HydrophobicContact CB-CG1 3.99Å; P9-V47 HydrophobicContact CG-CG1 4.46Å; T12-V47 HydrophobicContact CG2-CG1 4.3Å; T12-V47 HydrophobicContact CG2-CG2 4.38Å; M43-V47 HydrophobicContact CB-CB 4.48Å; M43-V47 HydrophobicContact SD-CG1 4.31Å; P44-V47 HydrophobicContact CB-CG2 4.37Å; P44-V47 HydrophobicContact CG-CG2 4.15Å; P44-V47 PolarHBondContact O-N 3.15Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 2.9Å; V47-Y51 WeakPolarHBondContact O-CD2 3.29Å; V47-W58 HydrophobicContact CG1-CH2 3.94Å; V47-W58 HydrophobicContact CG1-CZ2 4.24Å; V47-W58 WeakPolarHBondContact O-CZ2 3.1Å |
| 48 | R | 92.8 | Very high | 92.4 | Very high | 114 Ų | 114 | 62.8 Ų | 62.8 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 177.5 | -154.5 | -162.9 | -45.2 | 122.3 | 11.3 | 112.3 | M43 P44 E45 R46 | M43-R48 HydrophobicContact CG-CB 4.42Å; M43-R48 HydrophobicContact SD-CB 4.05Å; M43-R48 HydrophobicContact SD-CG 4.16Å; P44-R48 PolarHBondContact O-N 2.93Å; E45-R48 WeakPolarHBondContact O-CA 3.4Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 2.84Å; E45-R48 IonicContact OE1-CZ 3.48Å; E45-R48 IonicContact OE1-NH1 3.69Å; E45-R48 PolarHBondContact OE1-NH1 2.71Å; E45-R48 IonicContact OE1-NH2 3.99Å; E45-R48 PolarHBondContact OE1-NH2 2.86Å; R46-R48 VanDerWaalsContact C-N 3.34Å |
| 49 | E | 92.5 | Very high | 92.8 | Very high | 98 Ų | 98 | 58.5 Ų | 58.5 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -77.1 | -23.7 | -178.7 | -72.6 | -167 | -156.9 | 0 | 0 | 114.2 | E45 R46 Y51 K425 | E45-E49 PolarHBondContact O-N 2.97Å; R46-E49 PolarHBondContact O-N 3.26Å; E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 2.74Å; E49-K425 HydrophobicContact CB-CD 4.45Å; E49-K425 IonicContact OE2-NZ 3.58Å; E49-K425 PolarHBondContact OE2-NZ 3.26Å |
| 50 | Q | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.3 | -175.8 | -86.7 | 179.3 | 6 | 0 | 0 | 115.4 | R46 R421 D422 K425 D430 | R46-Q50 VanDerWaalsContact O-CB 3.31Å; R46-Q50 WeakPolarHBondContact O-CB 3.48Å; R46-Q50 VanDerWaalsContact O-CG 3.23Å; R46-Q50 WeakPolarHBondContact O-CG 3.44Å; R46-Q50 PolarHBondContact O-N 3.42Å; R46-Q50 VanDerWaalsContact O-N 3.09Å; Q50-R421 CarbonylContact O-C 3.52Å; Q50-R421 WeakPolarHBondContact O-CA 3.23Å; Q50-R421 WeakPolarHBondContact O-CG 3.4Å; Q50-D422 PolarHBondContact O-N 3.01Å; Q50-K425 HydrophobicContact CB-CB 4.48Å; Q50-K425 HydrophobicContact CG-CB 3.79Å; Q50-K425 VanDerWaalsContact CG-O 3.22Å; Q50-K425 WeakPolarHBondContact CG-O 3.42Å; Q50-K425 PolarHBondContact NE2-O 3.34Å; Q50-D430 PolarHBondContact NE2-OD2 2.92Å; Q50-D430 PolarHBondContact OE1-OD1 3.47Å |
| 51 | Y | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -135 | 138.5 | -173.8 | -63.4 | -87.2 | 0 | 0 | 0 | 111.4 | P9 V47 E49 L53 W58 L417 M420 R421 | P9-Y51 HydrophobicContact CB-CE2 3.75Å; P9-Y51 HydrophobicContact CG-CE2 3.6Å; P9-Y51 WeakPolarHBondContact CG-OH 2.96Å; V47-Y51 WeakPolarHBondContact O-CD2 3.29Å; E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 2.74Å; Y51-L53 PolarHBondContact O-N 3Å; Y51-W58 HydrophobicContact CD2-CH2 4.05Å; Y51-W58 AromaticContact CD2-CZ2 3.9Å; Y51-W58 HydrophobicContact CD2-CZ2 3.9Å; Y51-W58 HydrophobicContact CG-CH2 4.35Å; Y51-W58 HydrophobicContact CG-CZ2 4.11Å; Y51-L417 HydrophobicContact CD1-CB 4.12Å; Y51-L417 WeakPolarHBondContact CD1-O 3.37Å; Y51-L417 VanDerWaalsContact CE1-C 3.45Å; Y51-L417 HydrophobicContact CE1-CB 3.72Å; Y51-L417 WeakPolarHBondContact CE1-O 3.33Å; Y51-M420 WeakPolarHBondContact CA-O 3.36Å; Y51-R421 HydrophobicContact CD1-CB 3.91Å; Y51-R421 HydrophobicContact CD1-CG 4.14Å; Y51-R421 HydrophobicContact CE1-CB 3.58Å; Y51-R421 HydrophobicContact CE1-CG 3.6Å; Y51-R421 PolarHBondContact OH-NE 3Å |
| 52 | K | 93.4 | Very high | 93.7 | Very high | 124 Ų | 124 | 47.5 Ų | 47.5 | 54% | 0.539 | 24% | 0.237 | S | C | . | . | trans | -80.2 | 57.6 | -179.5 | -68.3 | 169.3 | 178.2 | 158.9 | 0 | 110.3 | M420 D422 | K52-M420 HydrophobicContact CB-CE 4.29Å; K52-M420 PolarHBondContact N-O 2.83Å; K52-M420 WeakPolarHBondContact O-CE 3.42Å; K52-D422 VanDerWaalsContact CE-CG 3.41Å; K52-D422 WeakPolarHBondContact CE-OD2 3.46Å; K52-D422 IonicContact NZ-OD1 3.88Å; K52-D422 PolarHBondContact NZ-OD1 3.48Å; K52-D422 IonicContact NZ-OD2 3.83Å; K52-D422 PolarHBondContact NZ-OD2 3.33Å | ||
| 53 | L | 93.2 | Very high | 94.1 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | trans | -122.7 | 136.1 | -177.1 | -66.7 | 175.2 | 0 | 0 | 0 | 110.2 | Y51 Q57 W58 K61 L417 M420 | Y51-L53 PolarHBondContact O-N 3Å; L53-Q57 HydrophobicContact CB-CB 4.28Å; L53-Q57 HydrophobicContact CD2-CB 4.12Å; L53-W58 HydrophobicContact CB-CG 4.49Å; L53-W58 HydrophobicContact CD1-CD2 4.14Å; L53-W58 HydrophobicContact CD1-CE3 4.35Å; L53-W58 HydrophobicContact CD1-CH2 4.18Å; L53-W58 HydrophobicContact CD1-CZ2 3.96Å; L53-W58 HydrophobicContact CD1-CZ3 4.36Å; L53-K61 HydrophobicContact CD1-CD 4.3Å; L53-L417 HydrophobicContact CD1-CD2 3.72Å; L53-M420 HydrophobicContact CD2-CB 4.28Å; L53-M420 HydrophobicContact CD2-CE 4.45Å; L53-M420 HydrophobicContact CD2-CG 4.07Å; L53-M420 HydrophobicContact CG-CB 4.3Å | ||
| 54 | S | 92.3 | Very high | 94.2 | Very high | 53 Ų | 53 | 49 Ų | 49 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | trans | -70.8 | 164.3 | 172.4 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | E56 Q57 W58 | S54-E56 PolarHBondContact O-N 2.9Å; S54-E56 PolarHBondContact OG-N 2.79Å; S54-Q57 PolarHBondContact O-N 2.72Å; S54-Q57 VanDerWaalsContact O-N 3.16Å; S54-Q57 WeakPolarHBondContact OG-CG 3.43Å; S54-Q57 PolarHBondContact OG-N 3.4Å; S54-Q57 VanDerWaalsContact OG-N 3.07Å; S54-W58 PolarHBondContact O-N 3.49Å | ||
| 55 | A | 91.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 69% | 0.686 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.8 | -37.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W58 E59 | A55-W58 PolarHBondContact O-N 3.23Å; A55-E59 WeakPolarHBondContact O-CB 3.25Å; A55-E59 PolarHBondContact O-N 2.91Å |
| 56 | E | 92.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 44.8 Ų | 44.8 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -40 | 175.5 | -171.2 | -172 | 169.9 | 0 | 0 | 112.2 | K34 S54 W58 E59 D60 | K34-E56 WeakPolarHBondContact CD-OE1 3.41Å; K34-E56 IonicContact NZ-OE1 2.7Å; K34-E56 PolarHBondContact NZ-OE1 2.8Å; S54-E56 PolarHBondContact O-N 2.9Å; S54-E56 PolarHBondContact OG-N 2.79Å; E56-W58 VanDerWaalsContact C-N 3.3Å; E56-W58 PolarHBondContact O-N 3.34Å; E56-E59 PolarHBondContact O-N 3.01Å; E56-D60 PolarHBondContact O-N 2.89Å |
| 57 | Q | 94 | Very high | 94.4 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69 | -29.7 | 176.1 | -70.9 | 173.9 | -53.6 | 0 | 0 | 112.5 | L53 S54 K61 | L53-Q57 HydrophobicContact CB-CB 4.28Å; L53-Q57 HydrophobicContact CD2-CB 4.12Å; S54-Q57 PolarHBondContact O-N 2.72Å; S54-Q57 VanDerWaalsContact O-N 3.16Å; S54-Q57 WeakPolarHBondContact OG-CG 3.43Å; S54-Q57 PolarHBondContact OG-N 3.4Å; S54-Q57 VanDerWaalsContact OG-N 3.07Å; Q57-K61 VanDerWaalsContact O-CG 3.32Å; Q57-K61 WeakPolarHBondContact O-CG 3.17Å; Q57-K61 PolarHBondContact O-N 3.26Å |
| 58 | W | 94.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.5 | -40.4 | 169.4 | -79.9 | 119.9 | 0 | 0 | 0 | 112.2 | V13 M43 V47 Y51 L53 S54 A55 E56 K61 I62 L417 | V13-W58 HydrophobicContact CG2-CE3 4.02Å; V13-W58 HydrophobicContact CG2-CZ3 3.58Å; M43-W58 HydrophobicContact CE-CB 3.89Å; M43-W58 HydrophobicContact CE-CD2 3.65Å; M43-W58 HydrophobicContact CE-CE3 3.76Å; M43-W58 HydrophobicContact CE-CG 3.76Å; M43-W58 HydrophobicContact CE-CZ3 4.45Å; M43-W58 HydrophobicContact SD-CD2 4.02Å; M43-W58 HydrophobicContact SD-CE3 4.47Å; M43-W58 HydrophobicContact SD-CG 4.21Å; M43-W58 HydrophobicContact SD-CZ2 4.43Å; V47-W58 HydrophobicContact CG1-CH2 3.94Å; V47-W58 HydrophobicContact CG1-CZ2 4.24Å; V47-W58 WeakPolarHBondContact O-CZ2 3.1Å; Y51-W58 HydrophobicContact CD2-CH2 4.05Å; Y51-W58 AromaticContact CD2-CZ2 3.9Å; Y51-W58 HydrophobicContact CD2-CZ2 3.9Å; Y51-W58 HydrophobicContact CG-CH2 4.35Å; Y51-W58 HydrophobicContact CG-CZ2 4.11Å; L53-W58 HydrophobicContact CB-CG 4.49Å; L53-W58 HydrophobicContact CD1-CD2 4.14Å; L53-W58 HydrophobicContact CD1-CE3 4.35Å; L53-W58 HydrophobicContact CD1-CH2 4.18Å; L53-W58 HydrophobicContact CD1-CZ2 3.96Å; L53-W58 HydrophobicContact CD1-CZ3 4.36Å; S54-W58 PolarHBondContact O-N 3.49Å; A55-W58 PolarHBondContact O-N 3.23Å; E56-W58 VanDerWaalsContact C-N 3.3Å; E56-W58 PolarHBondContact O-N 3.34Å; W58-K61 HydrophobicContact CE3-CD 4.47Å; W58-K61 PolarHBondContact O-N 3.49Å; W58-I62 WeakPolarHBondContact O-CG1 3.22Å; W58-I62 PolarHBondContact O-N 3.39Å; W58-L417 HydrophobicContact CH2-CD1 4.39Å; W58-L417 HydrophobicContact CH2-CD2 3.74Å; W58-L417 HydrophobicContact CZ3-CD1 4.37Å; W58-L417 HydrophobicContact CZ3-CD2 3.71Å |
| 59 | E | 94.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 173.4 | 179 | 172.5 | -141.1 | 0 | 0 | 111 | G35 F36 L37 A55 E56 K61 I62 V63 | G35-E59 WeakPolarHBondContact CA-OE2 3.15Å; G35-E59 PolarHBondContact N-OE1 3.38Å; G35-E59 PolarHBondContact N-OE2 2.92Å; F36-E59 PolarHBondContact N-OE1 2.86Å; F36-E59 VanDerWaalsContact N-OE1 3.09Å; L37-E59 HydrophobicContact CB-CG 4.12Å; L37-E59 WeakPolarHBondContact CB-OE1 3.37Å; L37-E59 HydrophobicContact CD1-CG 4.2Å; L37-E59 HydrophobicContact CG-CG 4.24Å; L37-E59 PolarHBondContact N-OE1 3.3Å; A55-E59 WeakPolarHBondContact O-CB 3.25Å; A55-E59 PolarHBondContact O-N 2.91Å; E56-E59 PolarHBondContact O-N 3.01Å; E59-K61 VanDerWaalsContact C-N 3.28Å; E59-K61 PolarHBondContact O-N 3.35Å; E59-I62 PolarHBondContact O-N 3.3Å; E59-V63 HydrophobicContact CG-CG2 4.02Å; E59-V63 WeakPolarHBondContact O-CB 3.34Å; E59-V63 VanDerWaalsContact O-CG2 3.31Å; E59-V63 WeakPolarHBondContact O-CG2 3.46Å; E59-V63 PolarHBondContact O-N 2.69Å |
| 60 | D | 94.8 | Very high | 94.3 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.3 | -41.5 | 177.3 | -76.3 | -15.5 | 0 | 0 | 0 | 112 | K34 E56 A64 | K34-D60 WeakPolarHBondContact CE-OD1 3.47Å; K34-D60 IonicContact NZ-OD1 2.8Å; K34-D60 PolarHBondContact NZ-OD1 2.83Å; K34-D60 IonicContact NZ-OD2 3.57Å; K34-D60 PolarHBondContact NZ-OD2 3.46Å; E56-D60 PolarHBondContact O-N 2.89Å; D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 2.88Å |
| 61 | K | 95.2 | Very high | 94 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 176.2 | -76 | 176.7 | -177.5 | -62.2 | 0 | 112.9 | L53 Q57 W58 E59 L413 D416 L417 | L53-K61 HydrophobicContact CD1-CD 4.3Å; Q57-K61 VanDerWaalsContact O-CG 3.32Å; Q57-K61 WeakPolarHBondContact O-CG 3.17Å; Q57-K61 PolarHBondContact O-N 3.26Å; W58-K61 HydrophobicContact CE3-CD 4.47Å; W58-K61 PolarHBondContact O-N 3.49Å; E59-K61 VanDerWaalsContact C-N 3.28Å; E59-K61 PolarHBondContact O-N 3.35Å; K61-L413 HydrophobicContact CD-CD1 4.49Å; K61-D416 IonicContact NZ-OD2 3.65Å; K61-D416 PolarHBondContact NZ-OD2 2.69Å; K61-L417 HydrophobicContact CD-CD2 4.04Å |
| 62 | I | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.3 | -39.5 | 179.2 | -69.2 | 166.8 | 0 | 0 | 0 | 111 | V13 A16 M20 L37 L42 M43 W58 E59 A64 W65 W66 | V13-I62 HydrophobicContact CG1-CG1 3.96Å; A16-I62 HydrophobicContact CB-CD1 3.82Å; A16-I62 HydrophobicContact CB-CG1 4.11Å; A16-I62 HydrophobicContact CB-CG2 4.11Å; M20-I62 HydrophobicContact CG-CG2 4.37Å; L37-I62 HydrophobicContact CD1-CG2 4.17Å; L42-I62 HydrophobicContact CB-CD1 3.94Å; L42-I62 HydrophobicContact CD1-CD1 3.48Å; L42-I62 VanDerWaalsContact CD1-CD1 3.48Å; L42-I62 HydrophobicContact CG-CD1 4.27Å; M43-I62 HydrophobicContact CE-CD1 3.88Å; W58-I62 WeakPolarHBondContact O-CG1 3.22Å; W58-I62 PolarHBondContact O-N 3.39Å; E59-I62 PolarHBondContact O-N 3.3Å; I62-A64 VanDerWaalsContact C-N 3.35Å; I62-W65 PolarHBondContact O-N 3.17Å; I62-W66 WeakPolarHBondContact O-CB 3.17Å; I62-W66 PolarHBondContact O-N 3.45Å |
| 63 | V | 96.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 176.1 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | F27 L37 E59 W65 W66 S67 | F27-V63 HydrophobicContact CD1-CG1 4.39Å; F27-V63 HydrophobicContact CD2-CG1 4.09Å; F27-V63 HydrophobicContact CE1-CG1 3.85Å; F27-V63 HydrophobicContact CE2-CG1 3.52Å; F27-V63 HydrophobicContact CE2-CG2 4.23Å; F27-V63 HydrophobicContact CG-CG1 4.5Å; F27-V63 HydrophobicContact CZ-CG1 3.4Å; L37-V63 HydrophobicContact CD1-CG2 4.19Å; E59-V63 HydrophobicContact CG-CG2 4.02Å; E59-V63 WeakPolarHBondContact O-CB 3.34Å; E59-V63 VanDerWaalsContact O-CG2 3.31Å; E59-V63 WeakPolarHBondContact O-CG2 3.46Å; E59-V63 PolarHBondContact O-N 2.69Å; V63-W65 PolarHBondContact O-N 2.98Å; V63-W66 HydrophobicContact CG2-CE3 4.38Å; V63-W66 PolarHBondContact O-N 3.27Å; V63-S67 WeakPolarHBondContact O-CB 3.31Å; V63-S67 PolarHBondContact O-N 2.82Å |
| 64 | A | 95.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.3 | -52.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D60 I62 S67 | D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 2.88Å; I62-A64 VanDerWaalsContact C-N 3.35Å; A64-S67 PolarHBondContact O-N 2.94Å; A64-S67 PolarHBondContact O-OG 3.35Å |
| 65 | W | 95.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 56 Ų | 56 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 175.8 | -74.2 | 95.9 | 0 | 0 | 0 | 113.2 | L14 S17 I62 V63 S67 E68 H69 R409 L410 | L14-W65 HydrophobicContact CD1-CD2 4.06Å; L14-W65 HydrophobicContact CD1-CE3 3.58Å; L14-W65 HydrophobicContact CD1-CZ3 3.85Å; S17-W65 WeakPolarHBondContact OG-CB 3.27Å; I62-W65 PolarHBondContact O-N 3.17Å; V63-W65 PolarHBondContact O-N 2.98Å; W65-S67 VanDerWaalsContact C-N 3.3Å; W65-S67 PolarHBondContact O-N 3.21Å; W65-E68 PolarHBondContact O-N 3Å; W65-H69 PolarHBondContact O-CD2 3.33Å; W65-H69 PolarHBondContact O-NE2 3.19Å; W65-R409 HydrophobicContact CH2-CB 3.6Å; W65-R409 HydrophobicContact CZ2-CB 4.03Å; W65-L410 HydrophobicContact CH2-CD2 4.45Å; W65-L410 HydrophobicContact CH2-CG 4.4Å; W65-L410 HydrophobicContact CZ2-CD2 4.26Å |
| 66 | W | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 178.2 | 178.3 | 20.3 | 0 | 0 | 0 | 111.9 | M20 Q21 Y24 A25 F27 H32 F36 L37 I62 V63 E68 H69 | M20-W66 HydrophobicContact CB-CD2 3.6Å; M20-W66 HydrophobicContact CB-CE3 3.78Å; M20-W66 HydrophobicContact CB-CG 3.96Å; M20-W66 HydrophobicContact CB-CZ2 4.38Å; M20-W66 HydrophobicContact CB-CZ3 4.22Å; M20-W66 HydrophobicContact CG-CE3 4.28Å; Q21-W66 VanDerWaalsContact OE1-NE1 3.14Å; Y24-W66 HydrophobicContact CD2-CH2 4.37Å; Y24-W66 HydrophobicContact CG-CH2 4.34Å; Y24-W66 HydrophobicContact CG-CZ2 4.48Å; A25-W66 WeakPolarHBondContact O-CZ2 3.4Å; A25-W66 PolarHBondContact O-NE1 3.12Å; F27-W66 HydrophobicContact CB-CD2 3.93Å; F27-W66 HydrophobicContact CB-CE3 4.4Å; F27-W66 HydrophobicContact CB-CG 4.17Å; F27-W66 HydrophobicContact CB-CZ2 4.29Å; F27-W66 HydrophobicContact CD2-CD2 4.12Å; F27-W66 AromaticContact CD2-CE3 3.71Å; F27-W66 HydrophobicContact CD2-CE3 3.71Å; F27-W66 HydrophobicContact CD2-CH2 4.11Å; F27-W66 HydrophobicContact CD2-CZ2 4.45Å; F27-W66 AromaticContact CD2-CZ3 3.73Å; F27-W66 HydrophobicContact CD2-CZ3 3.73Å; F27-W66 HydrophobicContact CE2-CZ3 4.4Å; F27-W66 HydrophobicContact CG-CD2 4.44Å; F27-W66 HydrophobicContact CG-CE3 4.45Å; H32-W66 HydrophobicContact CB-CH2 4.25Å; H32-W66 HydrophobicContact CB-CZ3 4.37Å; H32-W66 AromaticContact CE1-CH2 3.5Å; H32-W66 AromaticContact CE1-CZ2 3.59Å; H32-W66 AromaticContact CG-CH2 3.64Å; H32-W66 AromaticContact ND1-CH2 3.15Å; H32-W66 WeakPolarHBondContact ND1-CH2 3.47Å; H32-W66 AromaticContact ND1-CZ2 3.51Å; H32-W66 AromaticContact ND1-CZ3 3.98Å; F36-W66 HydrophobicContact CD1-CH2 4.45Å; F36-W66 HydrophobicContact CD1-CZ3 4.38Å; F36-W66 AromaticContact CE1-CH2 4Å; F36-W66 HydrophobicContact CE1-CH2 4Å; F36-W66 HydrophobicContact CE1-CZ3 4.35Å; L37-W66 HydrophobicContact CD2-CZ3 4.23Å; I62-W66 WeakPolarHBondContact O-CB 3.17Å; I62-W66 PolarHBondContact O-N 3.45Å; V63-W66 HydrophobicContact CG2-CE3 4.38Å; V63-W66 PolarHBondContact O-N 3.27Å; W66-E68 PolarHBondContact O-N 3.49Å; W66-E68 VanDerWaalsContact O-N 3.1Å; W66-H69 PolarHBondContact O-N 3.31Å; W66-H69 VanDerWaalsContact O-N 3.13Å |
| 67 | S | 95.4 | Very high | 94.2 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -59.8 | -21.9 | 177.3 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | V63 A64 W65 | V63-S67 WeakPolarHBondContact O-CB 3.31Å; V63-S67 PolarHBondContact O-N 2.82Å; A64-S67 PolarHBondContact O-N 2.94Å; A64-S67 PolarHBondContact O-OG 3.35Å; W65-S67 VanDerWaalsContact C-N 3.3Å; W65-S67 PolarHBondContact O-N 3.21Å |
| 68 | E | 93.6 | Very high | 94.3 | Very high | 98 Ų | 98 | 49.4 Ų | 49.4 | 46% | 0.458 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -88.2 | -20.7 | -179.6 | -60.3 | 177 | 158.1 | 0 | 0 | 113.4 | W65 W66 R70 R409 | W65-E68 PolarHBondContact O-N 3Å; W66-E68 PolarHBondContact O-N 3.49Å; W66-E68 VanDerWaalsContact O-N 3.1Å; E68-R70 PolarHBondContact O-N 3.26Å; E68-R70 VanDerWaalsContact O-N 3.12Å; E68-R409 IonicContact OE1-CZ 3.89Å; E68-R409 VanDerWaalsContact OE1-CZ 3.31Å; E68-R409 IonicContact OE1-NH1 2.67Å; E68-R409 PolarHBondContact OE1-NH1 3.34Å; E68-R409 IonicContact OE1-NH2 2.77Å; E68-R409 PolarHBondContact OE1-NH2 3.27Å; E68-R409 IonicContact OE2-CZ 3.66Å; E68-R409 IonicContact OE2-NH1 2.9Å; E68-R409 PolarHBondContact OE2-NH1 2.68Å; E68-R409 IonicContact OE2-NH2 2.79Å; E68-R409 PolarHBondContact OE2-NH2 3.04Å |
| 69 | H | 94.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -77.8 | 14.2 | 175.1 | -54 | -42 | 0 | 0 | 0 | 112.8 | S17 Y18 Q21 W65 W66 M72 | S17-H69 PolarHBondContact OG-NE2 3.39Å; Y18-H69 AromaticContact CD1-CE1 3.88Å; Y18-H69 AromaticContact CD1-NE2 3.79Å; Y18-H69 AromaticContact CE1-CE1 3.3Å; Y18-H69 WeakPolarHBondContact CE1-CE1 3.27Å; Y18-H69 AromaticContact CE1-ND1 3.47Å; Y18-H69 WeakPolarHBondContact CE1-ND1 3.41Å; Y18-H69 AromaticContact CE1-NE2 3.71Å; Y18-H69 AromaticContact CE2-CE1 3.91Å; Y18-H69 AromaticContact CZ-CE1 3.32Å; Y18-H69 AromaticContact CZ-ND1 3.87Å; Y18-H69 AromaticContact CZ-NE2 3.89Å; Q21-H69 HydrophobicContact CB-CB 4.01Å; Q21-H69 VanDerWaalsContact CD-O 3.28Å; Q21-H69 HydrophobicContact CG-CB 3.76Å; Q21-H69 PolarHBondContact NE2-O 3Å; W65-H69 PolarHBondContact O-CD2 3.33Å; W65-H69 PolarHBondContact O-NE2 3.19Å; W66-H69 PolarHBondContact O-N 3.31Å; W66-H69 VanDerWaalsContact O-N 3.13Å; H69-M72 HydrophobicContact CB-CB 4.4Å; H69-M72 HydrophobicContact CB-CE 4.26Å; H69-M72 HydrophobicContact CB-SD 4.43Å; H69-M72 WeakPolarHBondContact O-CB 3.01Å; H69-M72 PolarHBondContact O-N 2.8Å |
| 70 | R | 91.4 | Very high | 94.4 | Very high | 183 Ų | 183 | 54.5 Ų | 54.5 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 142.6 | -178.9 | -168 | 178.2 | -176.7 | -158 | 0.9 | 111.5 | D26 E68 M72 | D26-R70 HydrophobicContact CB-CG 4.24Å; E68-R70 PolarHBondContact O-N 3.26Å; E68-R70 VanDerWaalsContact O-N 3.12Å; R70-M72 PolarHBondContact O-N 2.86Å |
| 71 | C | 88.4 | Confident | 94.5 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 48% | 0.48 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -6.3 | -169.8 | -59.9 | 0 | 0 | 0 | 0 | 115.7 | D26 R210 | D26-C71 PolarHBondContact OD1-N 2.77Å; D26-C71 PolarHBondContact OD2-N 2.81Å; C71-R210 PolarHBondContact O-NH1 2.68Å; C71-R210 PolarHBondContact O-NH2 3.47Å |
| 72 | M | 92.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | trans | -65.5 | 137.4 | 176.5 | -169 | 175.8 | -64.2 | 0 | 0 | 111.2 | Y18 Q21 H69 R70 D76 A77 E80 | Y18-M72 HydrophobicContact CD1-SD 4.15Å; Y18-M72 HydrophobicContact CE1-CE 3.99Å; Y18-M72 HydrophobicContact CE1-SD 3.87Å; Q21-M72 HydrophobicContact CG-CB 4.11Å; Q21-M72 PolarHBondContact NE2-O 3.2Å; H69-M72 HydrophobicContact CB-CB 4.4Å; H69-M72 HydrophobicContact CB-CE 4.26Å; H69-M72 HydrophobicContact CB-SD 4.43Å; H69-M72 WeakPolarHBondContact O-CB 3.01Å; H69-M72 PolarHBondContact O-N 2.8Å; R70-M72 PolarHBondContact O-N 2.86Å; M72-D76 HydrophobicContact CG-CB 3.83Å; M72-A77 HydrophobicContact CG-CB 4.4Å; M72-A77 HydrophobicContact SD-CB 3.96Å; M72-E80 HydrophobicContact SD-CG 4.35Å | ||
| 73 | M | 90.8 | Very high | 94.6 | Very high | 27 Ų | 27 | 60.9 Ų | 60.9 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | trans | -69.9 | 154 | 174.2 | -73.1 | -175.4 | 157.1 | 0 | 0 | 111.1 | E75 D76 A77 V207 R210 | M73-E75 VanDerWaalsContact C-N 3.25Å; M73-E75 PolarHBondContact O-N 2.94Å; M73-D76 HydrophobicContact CB-CB 4.29Å; M73-D76 PolarHBondContact O-N 3.09Å; M73-D76 VanDerWaalsContact O-N 3.15Å; M73-A77 PolarHBondContact O-N 3Å; M73-V207 HydrophobicContact CE-CB 4.22Å; M73-V207 HydrophobicContact CE-CG2 3.51Å; M73-V207 HydrophobicContact SD-CG2 4.02Å; M73-R210 HydrophobicContact CE-CB 4.36Å | ||
| 74 | K | 94.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 60.1 Ų | 60.1 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 179.5 | -67.7 | -173.6 | 171.3 | -160.7 | 0 | 111.1 | A22 R23 A77 M78 | A22-K74 WeakPolarHBondContact O-CB 3.2Å; A22-K74 VanDerWaalsContact O-CD 3.23Å; A22-K74 WeakPolarHBondContact O-CD 3.36Å; A22-K74 VanDerWaalsContact O-CG 3.3Å; A22-K74 WeakPolarHBondContact O-CG 3.4Å; R23-K74 PolarHBondContact O-NZ 3.41Å; K74-A77 PolarHBondContact O-N 3.25Å; K74-M78 WeakPolarHBondContact O-CG 3.39Å; K74-M78 PolarHBondContact O-N 3.43Å |
| 75 | E | 92.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 58 Ų | 58 | 49% | 0.486 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 174.6 | -62.4 | 79.6 | -180 | 0 | 0 | 112 | M73 M78 L79 | M73-E75 VanDerWaalsContact C-N 3.25Å; M73-E75 PolarHBondContact O-N 2.94Å; E75-M78 HydrophobicContact CG-CE 4.49Å; E75-L79 WeakPolarHBondContact O-CB 3.47Å; E75-L79 PolarHBondContact O-N 2.77Å |
| 76 | D | 93.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.2 | -38.2 | 176.2 | -73.7 | -34.3 | 0 | 0 | 0 | 111.8 | M72 M73 M78 L79 E80 R203 | M72-D76 HydrophobicContact CG-CB 3.83Å; M73-D76 HydrophobicContact CB-CB 4.29Å; M73-D76 PolarHBondContact O-N 3.09Å; M73-D76 VanDerWaalsContact O-N 3.15Å; D76-M78 VanDerWaalsContact C-N 3.34Å; D76-M78 PolarHBondContact O-N 2.79Å; D76-L79 CarbonylContact O-C 3.54Å; D76-L79 WeakPolarHBondContact O-CA 3.35Å; D76-L79 WeakPolarHBondContact O-CB 3.4Å; D76-L79 PolarHBondContact O-N 3.4Å; D76-L79 VanDerWaalsContact O-N 3.08Å; D76-E80 WeakPolarHBondContact O-CG 3.39Å; D76-E80 PolarHBondContact O-N 3.47Å; D76-R203 IonicContact OD1-CZ 3.39Å; D76-R203 VanDerWaalsContact OD1-CZ 3.23Å; D76-R203 IonicContact OD1-NH1 3.73Å; D76-R203 PolarHBondContact OD1-NH1 3.48Å; D76-R203 IonicContact OD1-NH2 2.74Å; D76-R203 PolarHBondContact OD1-NH2 2.9Å; D76-R203 IonicContact OD2-CZ 3.66Å; D76-R203 IonicContact OD2-NH1 3.49Å; D76-R203 IonicContact OD2-NH2 2.91Å; D76-R203 PolarHBondContact OD2-NH2 3.27Å |
| 77 | A | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y18 Q21 A22 M72 M73 K74 L79 Y81 | Y18-A77 HydrophobicContact CD1-CB 4.45Å; Q21-A77 HydrophobicContact CB-CB 3.85Å; Q21-A77 HydrophobicContact CG-CB 3.74Å; A22-A77 HydrophobicContact CB-CB 3.99Å; M72-A77 HydrophobicContact CG-CB 4.4Å; M72-A77 HydrophobicContact SD-CB 3.96Å; M73-A77 PolarHBondContact O-N 3Å; K74-A77 PolarHBondContact O-N 3.25Å; A77-L79 VanDerWaalsContact C-N 3.33Å; A77-Y81 WeakPolarHBondContact O-CB 3.46Å; A77-Y81 PolarHBondContact O-N 3.2Å |
| 78 | M | 97.2 | Very high | 94.7 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 48% | 0.483 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 170 | -70.8 | -172.9 | -68.4 | 0 | 0 | 112.2 | A22 K74 E75 D76 L82 | A22-M78 HydrophobicContact CB-CG 3.66Å; K74-M78 WeakPolarHBondContact O-CG 3.39Å; K74-M78 PolarHBondContact O-N 3.43Å; E75-M78 HydrophobicContact CG-CE 4.49Å; D76-M78 VanDerWaalsContact C-N 3.34Å; D76-M78 PolarHBondContact O-N 2.79Å; M78-L82 WeakPolarHBondContact O-CG 3.44Å; M78-L82 PolarHBondContact O-N 2.83Å; M78-L82 VanDerWaalsContact O-N 3.09Å |
| 79 | L | 95.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 177.9 | -176.3 | 61.3 | 0 | 0 | 0 | 112.5 | E75 D76 A77 L82 K83 | E75-L79 WeakPolarHBondContact O-CB 3.47Å; E75-L79 PolarHBondContact O-N 2.77Å; D76-L79 CarbonylContact O-C 3.54Å; D76-L79 WeakPolarHBondContact O-CA 3.35Å; D76-L79 WeakPolarHBondContact O-CB 3.4Å; D76-L79 PolarHBondContact O-N 3.4Å; D76-L79 VanDerWaalsContact O-N 3.08Å; A77-L79 VanDerWaalsContact C-N 3.33Å; L79-L82 PolarHBondContact O-N 2.84Å; L79-K83 HydrophobicContact CG-CD 4.17Å; L79-K83 HydrophobicContact CG-CG 4.47Å; L79-K83 WeakPolarHBondContact O-CB 3.49Å; L79-K83 VanDerWaalsContact O-CG 3.23Å; L79-K83 WeakPolarHBondContact O-CG 3.34Å; L79-K83 PolarHBondContact O-N 3.42Å |
| 80 | E | 95.7 | Very high | 95 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 174.6 | -65.2 | -44.1 | 136.2 | 0 | 0 | 111.7 | Y18 M72 D76 L82 K83 I84 | Y18-E80 HydrophobicContact CD1-CB 3.84Å; Y18-E80 HydrophobicContact CE1-CB 3.52Å; Y18-E80 HydrophobicContact CE1-CG 4.02Å; Y18-E80 HydrophobicContact CE2-CB 4.32Å; Y18-E80 HydrophobicContact CG-CB 4.37Å; M72-E80 HydrophobicContact SD-CG 4.35Å; D76-E80 WeakPolarHBondContact O-CG 3.39Å; D76-E80 PolarHBondContact O-N 3.47Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.99Å; E80-K83 PolarHBondContact O-N 2.93Å; E80-K83 VanDerWaalsContact O-N 3.14Å; E80-K83 WeakPolarHBondContact OE1-CD 3.45Å; E80-K83 IonicContact OE1-NZ 2.79Å; E80-K83 PolarHBondContact OE1-NZ 2.86Å; E80-K83 WeakPolarHBondContact OE2-CD 3.23Å; E80-K83 IonicContact OE2-NZ 3.52Å; E80-I84 WeakPolarHBondContact O-CG1 3.2Å; E80-I84 PolarHBondContact O-N 3.45Å |
| 81 | Y | 97.3 | Very high | 95.3 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -51.7 | -51 | 170.3 | -176.7 | -73.3 | 0 | 0 | 0 | 110.7 | L15 A19 A77 I84 A85 | L15-Y81 HydrophobicContact CB-CD2 4.02Å; L15-Y81 HydrophobicContact CB-CE2 3.65Å; L15-Y81 HydrophobicContact CD2-CD1 4.17Å; L15-Y81 HydrophobicContact CD2-CD2 3.77Å; L15-Y81 HydrophobicContact CD2-CE1 4.34Å; L15-Y81 HydrophobicContact CD2-CE2 3.99Å; L15-Y81 HydrophobicContact CD2-CG 3.85Å; L15-Y81 VanDerWaalsContact CD2-O 3.31Å; L15-Y81 WeakPolarHBondContact CD2-O 3.36Å; L15-Y81 HydrophobicContact CG-CD2 4.48Å; L15-Y81 HydrophobicContact CG-CE2 4.29Å; L15-Y81 VanDerWaalsContact O-CD2 3.23Å; L15-Y81 WeakPolarHBondContact O-CD2 3.32Å; L15-Y81 WeakPolarHBondContact O-CE2 3.42Å; A19-Y81 HydrophobicContact CB-CD2 4.37Å; A19-Y81 HydrophobicContact CB-CE2 4.29Å; A77-Y81 WeakPolarHBondContact O-CB 3.46Å; A77-Y81 PolarHBondContact O-N 3.2Å; Y81-I84 PolarHBondContact O-N 2.81Å; Y81-A85 HydrophobicContact CD1-CB 4.33Å; Y81-A85 HydrophobicContact CE1-CB 4.16Å; Y81-A85 WeakPolarHBondContact O-CB 3.31Å; Y81-A85 PolarHBondContact O-N 2.85Å |
| 82 | L | 97.4 | Very high | 95.7 | Very high | 86 Ų | 86 | 48.7 Ų | 48.7 | 45% | 0.45 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.1 | -33.2 | 179.4 | -70.6 | 173.5 | 0 | 0 | 0 | 112.8 | M78 L79 E80 I84 Q86 | M78-L82 WeakPolarHBondContact O-CG 3.44Å; M78-L82 PolarHBondContact O-N 2.83Å; M78-L82 VanDerWaalsContact O-N 3.09Å; L79-L82 PolarHBondContact O-N 2.84Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.99Å; L82-I84 VanDerWaalsContact C-N 3.3Å; L82-I84 PolarHBondContact O-N 3.19Å; L82-Q86 VanDerWaalsContact O-CB 3.3Å; L82-Q86 WeakPolarHBondContact O-CB 3.43Å; L82-Q86 WeakPolarHBondContact O-CG 3.49Å; L82-Q86 PolarHBondContact O-N 2.98Å |
| 83 | K | 95.6 | Very high | 96 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -33.1 | 176.6 | -82.1 | 165.8 | 171.5 | 178.2 | 0 | 113 | L79 E80 Q86 | L79-K83 HydrophobicContact CG-CD 4.17Å; L79-K83 HydrophobicContact CG-CG 4.47Å; L79-K83 WeakPolarHBondContact O-CB 3.49Å; L79-K83 VanDerWaalsContact O-CG 3.23Å; L79-K83 WeakPolarHBondContact O-CG 3.34Å; L79-K83 PolarHBondContact O-N 3.42Å; E80-K83 PolarHBondContact O-N 2.93Å; E80-K83 VanDerWaalsContact O-N 3.14Å; E80-K83 WeakPolarHBondContact OE1-CD 3.45Å; E80-K83 IonicContact OE1-NZ 2.79Å; E80-K83 PolarHBondContact OE1-NZ 2.86Å; E80-K83 WeakPolarHBondContact OE2-CD 3.23Å; E80-K83 IonicContact OE2-NZ 3.52Å; K83-Q86 VanDerWaalsContact O-CG 3.23Å; K83-Q86 WeakPolarHBondContact O-CG 3.29Å; K83-Q86 PolarHBondContact O-NE2 2.83Å |
| 84 | I | 95.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -83.8 | -49.7 | 175.1 | -65.1 | 161.9 | 0 | 0 | 0 | 110.1 | T11 L14 L15 Y18 E80 Y81 L82 Q86 D87 L400 | T11-I84 HydrophobicContact CG2-CG2 3.74Å; L14-I84 HydrophobicContact CD2-CD1 3.8Å; L14-I84 HydrophobicContact CG-CD1 4.19Å; L15-I84 HydrophobicContact CD2-CB 4.01Å; L15-I84 HydrophobicContact CD2-CG2 3.99Å; L15-I84 HydrophobicContact CG-CG2 4.38Å; Y18-I84 HydrophobicContact CD2-CD1 3.97Å; Y18-I84 HydrophobicContact CE2-CD1 3.42Å; Y18-I84 VanDerWaalsContact CE2-CD1 3.42Å; E80-I84 WeakPolarHBondContact O-CG1 3.2Å; E80-I84 PolarHBondContact O-N 3.45Å; Y81-I84 PolarHBondContact O-N 2.81Å; L82-I84 VanDerWaalsContact C-N 3.3Å; L82-I84 PolarHBondContact O-N 3.19Å; I84-Q86 PolarHBondContact O-N 2.86Å; I84-D87 PolarHBondContact O-N 3.28Å; I84-D87 VanDerWaalsContact O-N 3.12Å; I84-L400 HydrophobicContact CG1-CD2 4.43Å |
| 85 | A | 96.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -30.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L15 Y81 D87 L88 Y91 | L15-A85 HydrophobicContact CD1-CB 4.3Å; L15-A85 HydrophobicContact CD2-CB 4.25Å; Y81-A85 HydrophobicContact CD1-CB 4.33Å; Y81-A85 HydrophobicContact CE1-CB 4.16Å; Y81-A85 WeakPolarHBondContact O-CB 3.31Å; Y81-A85 PolarHBondContact O-N 2.85Å; A85-D87 PolarHBondContact O-N 2.68Å; A85-L88 WeakPolarHBondContact O-CB 3.39Å; A85-L88 WeakPolarHBondContact O-CG 3.46Å; A85-L88 PolarHBondContact O-N 2.82Å; A85-Y91 HydrophobicContact CB-CD2 4.38Å; A85-Y91 HydrophobicContact CB-CE2 4.44Å; A85-Y91 VanDerWaalsContact O-CB 3.25Å; A85-Y91 WeakPolarHBondContact O-CB 3.38Å; A85-Y91 VanDerWaalsContact O-CD2 3.23Å; A85-Y91 WeakPolarHBondContact O-CD2 3.43Å |
| 86 | Q | 96.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 41.6 Ų | 41.6 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.4 | 178.2 | 65.5 | 177.9 | -23.6 | 0 | 0 | 114.6 | L82 K83 I84 Y91 R396 K443 | L82-Q86 VanDerWaalsContact O-CB 3.3Å; L82-Q86 WeakPolarHBondContact O-CB 3.43Å; L82-Q86 WeakPolarHBondContact O-CG 3.49Å; L82-Q86 PolarHBondContact O-N 2.98Å; K83-Q86 VanDerWaalsContact O-CG 3.23Å; K83-Q86 WeakPolarHBondContact O-CG 3.29Å; K83-Q86 PolarHBondContact O-NE2 2.83Å; I84-Q86 PolarHBondContact O-N 2.86Å; Q86-Y91 VanDerWaalsContact CA-CD1 3.44Å; Q86-Y91 HydrophobicContact CB-CD1 3.95Å; Q86-Y91 HydrophobicContact CB-CE1 3.69Å; Q86-Y91 HydrophobicContact CB-CG 4.47Å; Q86-R396 VanDerWaalsContact NE2-NH2 3.12Å; Q86-K443 PolarHBondContact O-NZ 2.7Å |
| 87 | D | 96 | Very high | 97 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.9 | -176 | -63.7 | -17.2 | 0 | 0 | 0 | 112.3 | I84 A85 R396 T398 A399 K443 Y444 | I84-D87 PolarHBondContact O-N 3.28Å; I84-D87 VanDerWaalsContact O-N 3.12Å; A85-D87 PolarHBondContact O-N 2.68Å; D87-R396 IonicContact OD1-NH2 3.54Å; D87-R396 PolarHBondContact OD1-NH2 3.2Å; D87-T398 HydrophobicContact CB-CG2 4.05Å; D87-T398 WeakPolarHBondContact OD2-CA 3.48Å; D87-T398 WeakPolarHBondContact OD2-CB 3.31Å; D87-A399 PolarHBondContact OD2-N 2.88Å; D87-K443 WeakPolarHBondContact O-CB 3.48Å; D87-K443 VanDerWaalsContact O-CD 3.29Å; D87-K443 WeakPolarHBondContact O-CD 3.34Å; D87-Y444 HydrophobicContact CB-CE2 4.39Å; D87-Y444 WeakPolarHBondContact OD1-CE2 3.37Å; D87-Y444 PolarHBondContact OD1-OH 3.45Å |
| 88 | L | 96.8 | Very high | 97 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -59.8 | 138.5 | 170.2 | -63 | 173.8 | 0 | 0 | 0 | 110.6 | I5 C7 T11 A85 M90 Y91 K443 | I5-L88 HydrophobicContact CG2-CB 4.4Å; I5-L88 HydrophobicContact CG2-CD1 4.08Å; C7-L88 HydrophobicContact CB-CD1 4Å; T11-L88 HydrophobicContact CG2-CD2 4.25Å; A85-L88 WeakPolarHBondContact O-CB 3.39Å; A85-L88 WeakPolarHBondContact O-CG 3.46Å; A85-L88 PolarHBondContact O-N 2.82Å; L88-M90 VanDerWaalsContact C-N 3.3Å; L88-M90 PolarHBondContact O-N 3.19Å; L88-Y91 WeakPolarHBondContact O-CB 3.29Å; L88-Y91 PolarHBondContact O-N 2.89Å; L88-K443 PolarHBondContact O-NZ 2.83Å |
| 89 | E | 96.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -40.2 | -168.6 | -58.6 | 96.4 | 126.8 | 0 | 0 | 112.7 | L124 H433 | E89-L124 HydrophobicContact CB-CB 4.15Å; E89-L124 HydrophobicContact CB-CD2 4.3Å; E89-L124 HydrophobicContact CG-CB 4.33Å; E89-H433 IonicContact OE1-CE1 3.97Å; E89-H433 IonicContact OE1-CG 3.62Å; E89-H433 IonicContact OE1-ND1 2.74Å; E89-H433 PolarHBondContact OE1-ND1 2.96Å; E89-H433 IonicContact OE2-ND1 3.67Å |
| 90 | M | 97.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10 | 179.9 | -56.9 | -173.9 | 64.9 | 0 | 0 | 114.4 | E4 I5 Y6 L88 G92 V93 Y95 L124 | E4-M90 WeakPolarHBondContact O-CE 3.2Å; I5-M90 HydrophobicContact CG2-CB 4.17Å; Y6-M90 PolarHBondContact N-SD 3.09Å; Y6-M90 VanDerWaalsContact N-SD 3.41Å; L88-M90 VanDerWaalsContact C-N 3.3Å; L88-M90 PolarHBondContact O-N 3.19Å; M90-G92 PolarHBondContact O-N 3.38Å; M90-V93 PolarHBondContact O-N 3.22Å; M90-Y95 WeakPolarHBondContact CA-OH 3.44Å; M90-Y95 HydrophobicContact CB-CE2 4.34Å; M90-Y95 HydrophobicContact CE-CD2 4.48Å; M90-Y95 HydrophobicContact CE-CE2 3.78Å; M90-Y95 WeakPolarHBondContact CG-OH 3.49Å; M90-L124 HydrophobicContact CG-CD2 3.57Å; M90-L124 HydrophobicContact SD-CD2 3.81Å |
| 91 | Y | 97.8 | Very high | 97.2 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 127.7 | -175 | 177.1 | -79.7 | 0 | 0 | 0 | 112 | I5 A85 Q86 L88 V93 K443 | I5-Y91 HydrophobicContact CD1-CD2 4.45Å; A85-Y91 HydrophobicContact CB-CD2 4.38Å; A85-Y91 HydrophobicContact CB-CE2 4.44Å; A85-Y91 VanDerWaalsContact O-CB 3.25Å; A85-Y91 WeakPolarHBondContact O-CB 3.38Å; A85-Y91 VanDerWaalsContact O-CD2 3.23Å; A85-Y91 WeakPolarHBondContact O-CD2 3.43Å; Q86-Y91 VanDerWaalsContact CA-CD1 3.44Å; Q86-Y91 HydrophobicContact CB-CD1 3.95Å; Q86-Y91 HydrophobicContact CB-CE1 3.69Å; Q86-Y91 HydrophobicContact CB-CG 4.47Å; L88-Y91 WeakPolarHBondContact O-CB 3.29Å; L88-Y91 PolarHBondContact O-N 2.89Å; Y91-V93 PolarHBondContact O-N 2.92Å; Y91-K443 PolarHBondContact O-NZ 3.25Å |
| 92 | G | 96.7 | Very high | 97 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -0.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | M90 | M90-G92 PolarHBondContact O-N 3.38Š|
| 93 | V | 98.2 | Very high | 97 | Very high | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | trans | -89.6 | 117.6 | -174.7 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | M90 Y91 Y95 D111 Y118 | M90-V93 PolarHBondContact O-N 3.22Å; Y91-V93 PolarHBondContact O-N 2.92Å; V93-Y95 HydrophobicContact CB-CD2 4.31Å; V93-Y95 HydrophobicContact CB-CE2 3.64Å; V93-Y95 HydrophobicContact CG1-CD1 4.17Å; V93-Y95 HydrophobicContact CG1-CD2 4.04Å; V93-Y95 HydrophobicContact CG1-CE1 3.79Å; V93-Y95 HydrophobicContact CG1-CE2 3.63Å; V93-Y95 HydrophobicContact CG1-CG 4.29Å; V93-Y95 VanDerWaalsContact CG1-CZ 3.5Å; V93-Y95 VanDerWaalsContact O-CD2 3.31Å; V93-Y95 WeakPolarHBondContact O-CD2 3.35Å; V93-Y95 WeakPolarHBondContact O-CE2 3.2Å; V93-Y95 PolarHBondContact O-N 2.83Å; V93-D111 HydrophobicContact CG2-CB 4.34Å; V93-Y118 HydrophobicContact CG1-CE2 4.43Å | ||
| 94 | N | 98.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 41 Ų | 41 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 104.4 | 172.7 | -71.7 | -99.8 | 0 | 0 | 0 | 109.5 | F96 G109 V110 L173 | N94-F96 HydrophobicContact CB-CE2 3.97Å; N94-F96 VanDerWaalsContact O-CD2 3.29Å; N94-F96 WeakPolarHBondContact O-CD2 3.14Å; N94-G109 WeakPolarHBondContact O-CA 3.12Å; N94-V110 HydrophobicContact CB-CB 4.34Å; N94-V110 WeakPolarHBondContact CB-O 3.37Å; N94-V110 PolarHBondContact N-O 3.11Å; N94-V110 PolarHBondContact ND2-O 3.45Å; N94-V110 PolarHBondContact O-N 2.79Å; N94-L173 HydrophobicContact CB-CD1 3.74Å |
| 95 | Y | 98 | Very high | 97.1 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 13% | 0.125 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 139.8 | -178.1 | -64.4 | -89.4 | 0 | 0 | 0 | 113.1 | M90 V93 W107 L108 Y118 R123 | M90-Y95 WeakPolarHBondContact CA-OH 3.44Å; M90-Y95 HydrophobicContact CB-CE2 4.34Å; M90-Y95 HydrophobicContact CE-CD2 4.48Å; M90-Y95 HydrophobicContact CE-CE2 3.78Å; M90-Y95 WeakPolarHBondContact CG-OH 3.49Å; V93-Y95 HydrophobicContact CB-CD2 4.31Å; V93-Y95 HydrophobicContact CB-CE2 3.64Å; V93-Y95 HydrophobicContact CG1-CD1 4.17Å; V93-Y95 HydrophobicContact CG1-CD2 4.04Å; V93-Y95 HydrophobicContact CG1-CE1 3.79Å; V93-Y95 HydrophobicContact CG1-CE2 3.63Å; V93-Y95 HydrophobicContact CG1-CG 4.29Å; V93-Y95 VanDerWaalsContact CG1-CZ 3.5Å; V93-Y95 VanDerWaalsContact O-CD2 3.31Å; V93-Y95 WeakPolarHBondContact O-CD2 3.35Å; V93-Y95 WeakPolarHBondContact O-CE2 3.2Å; V93-Y95 PolarHBondContact O-N 2.83Å; Y95-W107 HydrophobicContact CD1-CB 4.32Å; Y95-L108 CarbonylContact C-O 3.58Å; Y95-L108 WeakPolarHBondContact CA-O 3.46Å; Y95-Y118 HydrophobicContact CE1-CD1 4.38Å; Y95-Y118 HydrophobicContact CE1-CD2 4.28Å; Y95-Y118 HydrophobicContact CE1-CE1 4.03Å; Y95-Y118 AromaticContact CE1-CE2 3.97Å; Y95-Y118 HydrophobicContact CE1-CE2 3.97Å; Y95-Y118 AromaticContact CE1-CZ 3.86Å; Y95-R123 HydrophobicContact CD1-CB 4.27Å; Y95-R123 HydrophobicContact CD1-CG 4.08Å; Y95-R123 HydrophobicContact CE1-CB 3.65Å; Y95-R123 HydrophobicContact CE1-CG 3.97Å; Y95-R123 PolarHBondContact OH-O 3.25Å |
| 96 | F | 98.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.022 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134.9 | 179 | -68.8 | -82 | 0 | 0 | 0 | 111.6 | N94 I98 W107 L108 V110 I166 R169 I170 L173 | N94-F96 HydrophobicContact CB-CE2 3.97Å; N94-F96 VanDerWaalsContact O-CD2 3.29Å; N94-F96 WeakPolarHBondContact O-CD2 3.14Å; F96-I98 PolarHBondContact O-N 2.9Å; F96-W107 CarbonylContact O-C 3.49Å; F96-W107 WeakPolarHBondContact O-CA 3.42Å; F96-L108 HydrophobicContact CB-CB 4.32Å; F96-L108 PolarHBondContact N-O 2.6Å; F96-L108 PolarHBondContact O-N 2.83Å; F96-V110 HydrophobicContact CD2-CG2 4.1Å; F96-V110 HydrophobicContact CE2-CG2 4.04Å; F96-I166 HydrophobicContact CD1-CG2 3.55Å; F96-I166 HydrophobicContact CE1-CG2 4.02Å; F96-I166 HydrophobicContact CG-CG2 4.48Å; F96-R169 HydrophobicContact CE1-CB 4.19Å; F96-R169 HydrophobicContact CE1-CG 4.37Å; F96-R169 HydrophobicContact CZ-CB 4.26Å; F96-R169 HydrophobicContact CZ-CG 4.12Å; F96-R169 VanDerWaalsContact CZ-NE 3.33Å; F96-I170 HydrophobicContact CB-CD1 4.09Å; F96-I170 HydrophobicContact CB-CG1 4.35Å; F96-I170 HydrophobicContact CD1-CD1 4.02Å; F96-I170 HydrophobicContact CD1-CG1 3.64Å; F96-I170 HydrophobicContact CD2-CD1 4.38Å; F96-I170 HydrophobicContact CD2-CG1 3.74Å; F96-I170 HydrophobicContact CE1-CD1 4.44Å; F96-I170 HydrophobicContact CE1-CG1 3.6Å; F96-I170 HydrophobicContact CE2-CG1 3.75Å; F96-I170 HydrophobicContact CG-CD1 3.93Å; F96-I170 HydrophobicContact CG-CG1 3.66Å; F96-I170 HydrophobicContact CZ-CG1 3.65Å; F96-L173 HydrophobicContact CE2-CD1 3.84Å; F96-L173 HydrophobicContact CZ-CD1 3.74Å |
| 97 | E | 98 | Very high | 97.3 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 123.8 | 172.2 | -59.5 | -174.1 | 133.6 | 0 | 0 | 110.5 | W107 K120 P162 | E97-W107 HydrophobicContact CB-CZ3 4.47Å; E97-W107 HydrophobicContact CG-CE3 4Å; E97-W107 HydrophobicContact CG-CH2 3.65Å; E97-W107 HydrophobicContact CG-CZ2 4.48Å; E97-W107 HydrophobicContact CG-CZ3 3.37Å; E97-K120 IonicContact OE1-NZ 2.68Å; E97-K120 PolarHBondContact OE1-NZ 2.89Å; E97-P162 VanDerWaalsContact O-CD 3.27Å; E97-P162 WeakPolarHBondContact O-CD 3.33Å |
| 98 | I | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 166.5 | 178.8 | 61.6 | 152.8 | 0 | 0 | 0 | 111 | F96 L106 L108 I117 F159 Y160 F462 | F96-I98 PolarHBondContact O-N 2.9Å; I98-L106 HydrophobicContact CD1-CB 4.41Å; I98-L106 HydrophobicContact CG1-CB 4.08Å; I98-L106 WeakPolarHBondContact CG1-O 3.28Å; I98-L106 PolarHBondContact N-O 3.1Å; I98-L106 PolarHBondContact O-N 3.23Å; I98-L106 VanDerWaalsContact O-O 3.13Å; I98-L108 HydrophobicContact CD1-CB 3.92Å; I98-L108 HydrophobicContact CG1-CB 4.07Å; I98-L108 HydrophobicContact CG2-CB 3.98Å; I98-I117 HydrophobicContact CD1-CD1 4.28Å; I98-F159 HydrophobicContact CB-CB 4.42Å; I98-F159 HydrophobicContact CB-CD2 3.83Å; I98-F159 HydrophobicContact CB-CE2 4.5Å; I98-F159 HydrophobicContact CB-CG 4.37Å; I98-F159 HydrophobicContact CD1-CB 3.91Å; I98-F159 HydrophobicContact CD1-CD1 4.48Å; I98-F159 HydrophobicContact CD1-CD2 4.2Å; I98-F159 HydrophobicContact CD1-CG 3.97Å; I98-F159 HydrophobicContact CG2-CD2 3.43Å; I98-F159 VanDerWaalsContact CG2-CD2 3.43Å; I98-F159 HydrophobicContact CG2-CE2 3.62Å; I98-F159 HydrophobicContact CG2-CG 4.31Å; I98-Y160 CarbonylContact C-O 3.59Å; I98-Y160 WeakPolarHBondContact CA-O 3.06Å; I98-F462 HydrophobicContact CD1-CE2 3.95Å; I98-F462 HydrophobicContact CD1-CZ 4.21Å |
| 99 | R | 98.2 | Very high | 97.5 | Very high | 112 Ų | 112 | 41.8 Ų | 41.8 | 42% | 0.423 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147 | 167.4 | -61 | 179.3 | -172.5 | -93.3 | -4.5 | 111.7 | G103 S104 E105 F159 Y160 | R99-G103 VanDerWaalsContact CD-O 3.29Å; R99-G103 WeakPolarHBondContact CD-O 3.43Å; R99-G103 PolarHBondContact NH1-O 2.7Å; R99-S104 WeakPolarHBondContact CA-O 3.44Å; R99-S104 WeakPolarHBondContact CB-O 3.46Å; R99-S104 WeakPolarHBondContact CG-O 3.47Å; R99-E105 IonicContact CZ-OE1 2.76Å; R99-E105 VanDerWaalsContact CZ-OE1 3.27Å; R99-E105 IonicContact NH1-OE1 3.79Å; R99-E105 PolarHBondContact NH1-OE1 3.16Å; R99-E105 VanDerWaalsContact NH1-OE1 3.11Å; R99-E105 IonicContact NH2-OE1 3.2Å; R99-E105 PolarHBondContact NH2-OE1 3.34Å; R99-F159 CarbonylContact O-C 3.6Å; R99-F159 WeakPolarHBondContact O-CA 3.11Å; R99-F159 WeakPolarHBondContact O-CB 3.47Å; R99-Y160 PolarHBondContact N-O 3.5Å; R99-Y160 PolarHBondContact O-N 3.13Å |
| 100 | N | 97 | Very high | 97.6 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | trans | -78.2 | -174.9 | 167.6 | 69.9 | 8.9 | 0 | 0 | 0 | 110.9 | K102 G103 S104 L106 F462 M465 | N100-K102 PolarHBondContact O-N 3.05Å; N100-K102 WeakPolarHBondContact OD1-CA 3.23Å; N100-K102 WeakPolarHBondContact OD1-CB 3.22Å; N100-K102 PolarHBondContact OD1-N 3.38Å; N100-G103 PolarHBondContact O-N 3Å; N100-G103 PolarHBondContact OD1-N 2.91Å; N100-G103 VanDerWaalsContact OD1-N 3.1Å; N100-S104 WeakPolarHBondContact OD1-CB 3.45Å; N100-S104 PolarHBondContact OD1-N 2.79Å; N100-L106 HydrophobicContact CB-CD1 4.31Å; N100-F462 HydrophobicContact CB-CD1 4.04Å; N100-F462 HydrophobicContact CB-CE1 3.38Å; N100-F462 HydrophobicContact CB-CE2 4.17Å; N100-F462 HydrophobicContact CB-CZ 3.45Å; N100-F462 VanDerWaalsContact CB-CZ 3.45Å; N100-F462 PolarHBondContact ND2-O 3Å; N100-F462 VanDerWaalsContact ND2-O 3.09Å; N100-M465 PolarHBondContact ND2-O 3.01Å | ||
| 101 | K | 95.4 | Very high | 97.6 | Very high | 109 Ų | 109 | 40.8 Ų | 40.8 | 47% | 0.474 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.4 | 178.7 | -66.7 | -176.5 | -176.5 | 85.3 | 0 | 114.2 | Y160 E463 | K101-Y160 HydrophobicContact CG-CE2 4.13Å; K101-E463 VanDerWaalsContact CB-OE2 3.31Å; K101-E463 WeakPolarHBondContact CB-OE2 3.49Å; K101-E463 WeakPolarHBondContact CD-OE1 3.41Å; K101-E463 WeakPolarHBondContact CG-OE1 3.48Å; K101-E463 WeakPolarHBondContact CG-OE2 3.38Å; K101-E463 PolarHBondContact N-OE2 3.45Å; K101-E463 IonicContact NZ-OE1 3.27Å; K101-E463 PolarHBondContact NZ-OE1 3.41Å |
| 102 | K | 95.1 | Very high | 97.5 | Very high | 125 Ų | 125 | 38.7 Ų | 38.7 | 54% | 0.543 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12 | 175.7 | -64.5 | 179 | 179.1 | 159.7 | 0 | 113.3 | N100 E463 N464 | N100-K102 PolarHBondContact O-N 3.05Å; N100-K102 WeakPolarHBondContact OD1-CA 3.23Å; N100-K102 WeakPolarHBondContact OD1-CB 3.22Å; N100-K102 PolarHBondContact OD1-N 3.38Å; K102-E463 VanDerWaalsContact CD-O 3.32Å; K102-E463 WeakPolarHBondContact CD-O 3.45Å; K102-E463 WeakPolarHBondContact CE-O 3.47Å; K102-E463 PolarHBondContact NZ-O 3.03Å; K102-N464 PolarHBondContact NZ-OD1 3.03Å |
| 103 | G | 95.5 | Very high | 97.4 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | trans | 92.8 | 0.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R99 N100 | R99-G103 VanDerWaalsContact CD-O 3.29Å; R99-G103 WeakPolarHBondContact CD-O 3.43Å; R99-G103 PolarHBondContact NH1-O 2.7Å; N100-G103 PolarHBondContact O-N 3Å; N100-G103 PolarHBondContact OD1-N 2.91Å; N100-G103 VanDerWaalsContact OD1-N 3.1Å | ||
| 104 | S | 97.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | trans | -51.9 | 138.9 | 175.9 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | R99 N100 M465 V466 | R99-S104 WeakPolarHBondContact CA-O 3.44Å; R99-S104 WeakPolarHBondContact CB-O 3.46Å; R99-S104 WeakPolarHBondContact CG-O 3.47Å; N100-S104 WeakPolarHBondContact OD1-CB 3.45Å; N100-S104 PolarHBondContact OD1-N 2.79Å; S104-M465 PolarHBondContact OG-O 3.18Å; S104-M465 VanDerWaalsContact OG-O 3.09Å; S104-V466 WeakPolarHBondContact CA-OXT 3.21Å; S104-V466 WeakPolarHBondContact CB-OXT 3.43Å; S104-V466 VanDerWaalsContact OG-C 3.28Å; S104-V466 VanDerWaalsContact OG-CA 3.29Å; S104-V466 WeakPolarHBondContact OG-CA 3.49Å; S104-V466 PolarHBondContact OG-OXT 3.14Å | ||
| 105 | E | 97.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 117.8 | -179.8 | -66.3 | -164.5 | -166 | 0 | 0 | 111.5 | R99 K120 | R99-E105 IonicContact CZ-OE1 2.76Å; R99-E105 VanDerWaalsContact CZ-OE1 3.27Å; R99-E105 IonicContact NH1-OE1 3.79Å; R99-E105 PolarHBondContact NH1-OE1 3.16Å; R99-E105 VanDerWaalsContact NH1-OE1 3.11Å; R99-E105 IonicContact NH2-OE1 3.2Å; R99-E105 PolarHBondContact NH2-OE1 3.34Å; E105-K120 HydrophobicContact CB-CB 4.27Å; E105-K120 HydrophobicContact CB-CD 4.08Å; E105-K120 HydrophobicContact CB-CG 4.19Å; E105-K120 WeakPolarHBondContact O-CB 3.4Å; E105-K120 WeakPolarHBondContact OE2-CE 3.37Å; E105-K120 IonicContact OE2-NZ 2.76Å |
| 106 | L | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.2 | -174.3 | -61.2 | 172.4 | 0 | 0 | 0 | 110.5 | I98 N100 I117 Y118 F462 M465 | I98-L106 HydrophobicContact CD1-CB 4.41Å; I98-L106 HydrophobicContact CG1-CB 4.08Å; I98-L106 WeakPolarHBondContact CG1-O 3.28Å; I98-L106 PolarHBondContact N-O 3.1Å; I98-L106 PolarHBondContact O-N 3.23Å; I98-L106 VanDerWaalsContact O-O 3.13Å; N100-L106 HydrophobicContact CB-CD1 4.31Å; L106-I117 HydrophobicContact CB-CG2 4.27Å; L106-I117 HydrophobicContact CD1-CG2 4.15Å; L106-Y118 WeakPolarHBondContact CA-O 3.49Å; L106-F462 HydrophobicContact CD1-CD2 3.99Å; L106-F462 HydrophobicContact CD1-CE2 3.55Å; L106-F462 HydrophobicContact CD1-CZ 4.28Å; L106-M465 HydrophobicContact CD1-CB 4.15Å; L106-M465 HydrophobicContact CD1-SD 4.08Å; L106-M465 HydrophobicContact CD2-CB 4.12Å; L106-M465 HydrophobicContact CD2-CE 3.68Å; L106-M465 HydrophobicContact CD2-SD 4.01Å |
| 107 | W | 98.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 15% | 0.152 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.7 | 166.4 | -61.9 | 102.1 | 0 | 0 | 0 | 110.1 | Y95 F96 E97 I117 Y118 K120 R123 | Y95-W107 HydrophobicContact CD1-CB 4.32Å; F96-W107 CarbonylContact O-C 3.49Å; F96-W107 WeakPolarHBondContact O-CA 3.42Å; E97-W107 HydrophobicContact CB-CZ3 4.47Å; E97-W107 HydrophobicContact CG-CE3 4Å; E97-W107 HydrophobicContact CG-CH2 3.65Å; E97-W107 HydrophobicContact CG-CZ2 4.48Å; E97-W107 HydrophobicContact CG-CZ3 3.37Å; W107-I117 WeakPolarHBondContact O-CA 3.16Å; W107-Y118 HydrophobicContact CB-CD2 4.25Å; W107-Y118 PolarHBondContact N-O 3.31Å; W107-Y118 PolarHBondContact O-N 3.15Å; W107-K120 HydrophobicContact CZ2-CD 4.31Å; W107-K120 PolarHBondContact NE1-O 3.44Å; W107-R123 HydrophobicContact CD2-CG 4.34Å; W107-R123 HydrophobicContact CG-CG 4.1Å |
| 108 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.1 | 159.4 | 177.5 | 71.3 | 0 | 0 | 0 | 108.3 | Y95 F96 I98 V110 L115 I117 F159 I170 | Y95-L108 CarbonylContact C-O 3.58Å; Y95-L108 WeakPolarHBondContact CA-O 3.46Å; F96-L108 HydrophobicContact CB-CB 4.32Å; F96-L108 PolarHBondContact N-O 2.6Å; F96-L108 PolarHBondContact O-N 2.83Å; I98-L108 HydrophobicContact CD1-CB 3.92Å; I98-L108 HydrophobicContact CG1-CB 4.07Å; I98-L108 HydrophobicContact CG2-CB 3.98Å; L108-V110 HydrophobicContact CD2-CG2 4.04Å; L108-V110 HydrophobicContact CG-CG2 4.14Å; L108-L115 HydrophobicContact CD1-CB 4.37Å; L108-L115 HydrophobicContact CD1-CD2 4.29Å; L108-I117 HydrophobicContact CD1-CD1 3.63Å; L108-F159 HydrophobicContact CD2-CE1 3.98Å; L108-F159 HydrophobicContact CD2-CE2 4.04Å; L108-F159 HydrophobicContact CD2-CZ 3.47Å; L108-F159 VanDerWaalsContact CD2-CZ 3.47Å; L108-I170 HydrophobicContact CD2-CD1 4.23Å; L108-I170 HydrophobicContact CD2-CG2 3.96Å |
| 109 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N94 N116 | N94-G109 WeakPolarHBondContact O-CA 3.12Å; G109-N116 PolarHBondContact N-O 3.26Å; G109-N116 PolarHBondContact O-N 3.24Å |
| 110 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.8 | 171.4 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | N94 F96 L108 L115 W132 I170 L173 | N94-V110 HydrophobicContact CB-CB 4.34Å; N94-V110 WeakPolarHBondContact CB-O 3.37Å; N94-V110 PolarHBondContact N-O 3.11Å; N94-V110 PolarHBondContact ND2-O 3.45Å; N94-V110 PolarHBondContact O-N 2.79Å; F96-V110 HydrophobicContact CD2-CG2 4.1Å; F96-V110 HydrophobicContact CE2-CG2 4.04Å; L108-V110 HydrophobicContact CD2-CG2 4.04Å; L108-V110 HydrophobicContact CG-CG2 4.14Å; V110-L115 HydrophobicContact CB-CD2 4.25Å; V110-L115 HydrophobicContact CG1-CD2 4.07Å; V110-L115 HydrophobicContact CG2-CD2 3.82Å; V110-W132 HydrophobicContact CG1-CH2 4.12Å; V110-W132 HydrophobicContact CG1-CZ2 3.93Å; V110-I170 HydrophobicContact CG2-CG2 4.4Å; V110-L173 HydrophobicContact CG1-CB 4.05Å |
| 111 | D | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | trans | -138.7 | -178.7 | -177.9 | 71.8 | 32.5 | 0 | 0 | 0 | 112.8 | V93 L113 G114 N116 W132 N177 | V93-D111 HydrophobicContact CG2-CB 4.34Å; D111-L113 PolarHBondContact O-N 3.13Å; D111-L113 VanDerWaalsContact OD1-CA 3.27Å; D111-L113 WeakPolarHBondContact OD1-CA 3.44Å; D111-L113 WeakPolarHBondContact OD1-CB 3.35Å; D111-L113 PolarHBondContact OD1-N 2.93Å; D111-G114 PolarHBondContact N-O 3.34Å; D111-G114 PolarHBondContact OD1-N 3.39Å; D111-N116 PolarHBondContact OD2-ND2 3.11Å; D111-W132 PolarHBondContact O-NE1 3.1Å; D111-N177 WeakPolarHBondContact O-CB 3.49Å | ||
| 112 | A | 96.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 32% | 0.322 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -73.7 | -4.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N177 | A112-N177 WeakPolarHBondContact CA-OD1 3.23Å; A112-N177 PolarHBondContact N-OD1 3Å |
| 113 | L | 95 | Very high | 97.3 | Very high | 32 Ų | 32 | 25.5 Ų | 25.5 | 17% | 0.168 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -113.7 | -19.6 | -176.9 | -54.1 | 178.1 | 0 | 0 | 0 | 112.8 | D111 E393 Y444 L447 R451 | D111-L113 PolarHBondContact O-N 3.13Å; D111-L113 VanDerWaalsContact OD1-CA 3.27Å; D111-L113 WeakPolarHBondContact OD1-CA 3.44Å; D111-L113 WeakPolarHBondContact OD1-CB 3.35Å; D111-L113 PolarHBondContact OD1-N 2.93Å; L113-E393 HydrophobicContact CD2-CB 4.05Å; L113-Y444 HydrophobicContact CD1-CE1 4.28Å; L113-L447 HydrophobicContact CD1-CD1 3.76Å; L113-R451 PolarHBondContact O-NH1 3.38Å; L113-R451 PolarHBondContact O-NH2 2.92Å |
| 114 | G | 96.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.2 | -148.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D111 F130 W132 | D111-G114 PolarHBondContact N-O 3.34Å; D111-G114 PolarHBondContact OD1-N 3.39Å; G114-F130 VanDerWaalsContact CA-O 3.32Å; G114-F130 WeakPolarHBondContact CA-O 3.46Å; G114-W132 WeakPolarHBondContact O-CZ2 3.45Å |
| 115 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.2 | 173.9 | -63.7 | 175.5 | 0 | 0 | 0 | 109.3 | L108 V110 G129 F130 W132 I147 | L108-L115 HydrophobicContact CD1-CB 4.37Å; L108-L115 HydrophobicContact CD1-CD2 4.29Å; V110-L115 HydrophobicContact CB-CD2 4.25Å; V110-L115 HydrophobicContact CG1-CD2 4.07Å; V110-L115 HydrophobicContact CG2-CD2 3.82Å; L115-G129 CarbonylContact O-C 3.59Å; L115-G129 WeakPolarHBondContact O-CA 3.36Å; L115-F130 HydrophobicContact CB-CB 4.5Å; L115-F130 PolarHBondContact N-O 2.9Å; L115-F130 PolarHBondContact O-N 2.95Å; L115-W132 HydrophobicContact CD1-CH2 4.26Å; L115-W132 HydrophobicContact CD1-CZ3 4.09Å; L115-W132 HydrophobicContact CD2-CH2 3.45Å; L115-W132 VanDerWaalsContact CD2-CH2 3.45Å; L115-W132 HydrophobicContact CD2-CZ2 4.05Å; L115-W132 HydrophobicContact CD2-CZ3 4.13Å; L115-W132 HydrophobicContact CG-CH2 3.67Å; L115-W132 HydrophobicContact CG-CZ2 4.32Å; L115-W132 HydrophobicContact CG-CZ3 3.87Å; L115-I147 HydrophobicContact CD1-CD1 3.38Å |
| 116 | N | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.011 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142 | -179.4 | -47.5 | -43.8 | 0 | 0 | 0 | 110 | G109 D111 Y118 P126 I128 L447 | G109-N116 PolarHBondContact N-O 3.26Å; G109-N116 PolarHBondContact O-N 3.24Å; D111-N116 PolarHBondContact OD2-ND2 3.11Å; N116-Y118 HydrophobicContact CB-CE2 3.71Å; N116-P126 HydrophobicContact CB-CB 3.8Å; N116-P126 HydrophobicContact CB-CG 4.39Å; N116-I128 CarbonylContact C-O 3.49Å; N116-I128 WeakPolarHBondContact CA-O 3.48Å; N116-L447 WeakPolarHBondContact OD1-CD2 3.29Å |
| 117 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.5 | 176.2 | -47.3 | -61.1 | 0 | 0 | 0 | 109.8 | I98 L106 W107 L108 P126 K127 I128 F157 F462 M465 | I98-I117 HydrophobicContact CD1-CD1 4.28Å; L106-I117 HydrophobicContact CB-CG2 4.27Å; L106-I117 HydrophobicContact CD1-CG2 4.15Å; W107-I117 WeakPolarHBondContact O-CA 3.16Å; L108-I117 HydrophobicContact CD1-CD1 3.63Å; I117-P126 CarbonylContact O-C 3.6Å; I117-P126 WeakPolarHBondContact O-CA 3.45Å; I117-K127 PolarHBondContact O-N 2.94Å; I117-I128 HydrophobicContact CB-CB 4.2Å; I117-I128 HydrophobicContact CG1-CB 4.28Å; I117-I128 PolarHBondContact N-O 3.38Å; I117-F157 HydrophobicContact CD1-CZ 3.77Å; I117-F157 HydrophobicContact CG1-CZ 4.5Å; I117-F462 HydrophobicContact CD1-CD2 4.32Å; I117-F462 HydrophobicContact CD1-CE2 4.27Å; I117-F462 HydrophobicContact CG1-CD2 4.05Å; I117-F462 HydrophobicContact CG1-CE2 4.47Å; I117-F462 HydrophobicContact CG2-CD2 3.98Å; I117-F462 HydrophobicContact CG2-CE2 4.16Å; I117-M465 HydrophobicContact CG2-CE 4.45Å; I117-M465 HydrophobicContact CG2-SD 3.85Å |
| 118 | Y | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153 | 178.2 | -38.8 | -123.9 | 0 | 0 | 0 | 110.6 | V93 Y95 L106 W107 N116 D122 R123 P126 | V93-Y118 HydrophobicContact CG1-CE2 4.43Å; Y95-Y118 HydrophobicContact CE1-CD1 4.38Å; Y95-Y118 HydrophobicContact CE1-CD2 4.28Å; Y95-Y118 HydrophobicContact CE1-CE1 4.03Å; Y95-Y118 AromaticContact CE1-CE2 3.97Å; Y95-Y118 HydrophobicContact CE1-CE2 3.97Å; Y95-Y118 AromaticContact CE1-CZ 3.86Å; L106-Y118 WeakPolarHBondContact CA-O 3.49Å; W107-Y118 HydrophobicContact CB-CD2 4.25Å; W107-Y118 PolarHBondContact N-O 3.31Å; W107-Y118 PolarHBondContact O-N 3.15Å; N116-Y118 HydrophobicContact CB-CE2 3.71Å; Y118-D122 WeakPolarHBondContact CB-O 3.38Å; Y118-R123 WeakPolarHBondContact CE1-O 3.45Å; Y118-P126 VanDerWaalsContact CD1-CA 3.5Å; Y118-P126 HydrophobicContact CD1-CB 3.81Å; Y118-P126 HydrophobicContact CD1-CG 4.42Å; Y118-P126 HydrophobicContact CD2-CB 4.34Å; Y118-P126 HydrophobicContact CE1-CB 3.62Å; Y118-P126 VanDerWaalsContact CE1-CD 3.48Å; Y118-P126 HydrophobicContact CE1-CG 3.86Å; Y118-P126 HydrophobicContact CE2-CB 4.12Å; Y118-P126 HydrophobicContact CG-CB 4.15Å |
| 119 | E | 97.1 | Very high | 97.2 | Very high | 86 Ų | 86 | 22 Ų | 22 | 40% | 0.402 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 153.1 | 172.5 | -71.1 | 155.9 | -168.9 | 0 | 0 | 110.6 | A121 D122 K127 M465 | E119-A121 PolarHBondContact O-N 3.19Å; E119-D122 PolarHBondContact O-N 3.48Å; E119-D122 VanDerWaalsContact O-N 3.12Å; E119-D122 VanDerWaalsContact O-O 3.05Å; E119-K127 HydrophobicContact CG-CG 4.13Å; E119-K127 WeakPolarHBondContact OE1-CE 3.33Å; E119-K127 WeakPolarHBondContact OE2-CE 3.42Å; E119-K127 IonicContact OE2-NZ 2.71Å; E119-K127 PolarHBondContact OE2-NZ 2.98Å; E119-M465 HydrophobicContact CG-CE 3.6Å |
| 120 | K | 95.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 22.1 Ų | 22.1 | 31% | 0.313 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -34.8 | -174.7 | -169 | 57.7 | 170.7 | -178.6 | 0 | 114.2 | E97 E105 W107 | E97-K120 IonicContact OE1-NZ 2.68Å; E97-K120 PolarHBondContact OE1-NZ 2.89Å; E105-K120 HydrophobicContact CB-CB 4.27Å; E105-K120 HydrophobicContact CB-CD 4.08Å; E105-K120 HydrophobicContact CB-CG 4.19Å; E105-K120 WeakPolarHBondContact O-CB 3.4Å; E105-K120 WeakPolarHBondContact OE2-CE 3.37Å; E105-K120 IonicContact OE2-NZ 2.76Å; W107-K120 HydrophobicContact CZ2-CD 4.31Å; W107-K120 PolarHBondContact NE1-O 3.44Å |
| 121 | A | 95.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 22.3 Ų | 22.3 | 50% | 0.504 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E119 Q428 | E119-A121 PolarHBondContact O-N 3.19Å; A121-Q428 PolarHBondContact O-NE2 3.46Å |
| 122 | D | 96.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.032 | 12% | 0.118 | C | C | . | . | trans | -130.2 | 117.2 | -175.5 | 175 | 9 | 0 | 0 | 0 | 109.7 | Y118 E119 L124 T125 K127 L432 | Y118-D122 WeakPolarHBondContact CB-O 3.38Å; E119-D122 PolarHBondContact O-N 3.48Å; E119-D122 VanDerWaalsContact O-N 3.12Å; E119-D122 VanDerWaalsContact O-O 3.05Å; D122-L124 PolarHBondContact OD1-N 3.18Å; D122-T125 PolarHBondContact OD1-N 2.57Å; D122-T125 PolarHBondContact OD1-OG1 3.44Å; D122-T125 WeakPolarHBondContact OD2-CB 3.47Å; D122-T125 PolarHBondContact OD2-OG1 3.38Å; D122-K127 IonicContact OD2-NZ 3.34Å; D122-K127 PolarHBondContact OD2-NZ 3.29Å; D122-L432 HydrophobicContact CB-CD1 4.04Å; D122-L432 HydrophobicContact CB-CD2 4.21Å | ||
| 123 | R | 97 | Very high | 96.5 | Very high | 63 Ų | 63 | 21 Ų | 21 | 24% | 0.238 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -107.9 | -0.8 | 174.3 | -67.2 | -171.2 | -60.3 | 160.3 | 7.6 | 113.6 | Y95 W107 Y118 Y429 | Y95-R123 HydrophobicContact CD1-CB 4.27Å; Y95-R123 HydrophobicContact CD1-CG 4.08Å; Y95-R123 HydrophobicContact CE1-CB 3.65Å; Y95-R123 HydrophobicContact CE1-CG 3.97Å; Y95-R123 PolarHBondContact OH-O 3.25Å; W107-R123 HydrophobicContact CD2-CG 4.34Å; W107-R123 HydrophobicContact CG-CG 4.1Å; Y118-R123 WeakPolarHBondContact CE1-O 3.45Å; R123-Y429 HydrophobicContact CB-CE1 4.19Å; R123-Y429 PolarHBondContact NE-OH 2.9Å; R123-Y429 PolarHBondContact NH2-OH 2.98Å |
| 124 | L | 96.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -87.5 | -45.7 | 175.7 | -54.7 | -173.3 | 0 | 0 | 0 | 110.7 | Y6 E89 M90 D122 P126 Y429 L432 H433 | Y6-L124 HydrophobicContact CD1-CD1 4.16Å; Y6-L124 HydrophobicContact CD1-CD2 4.11Å; Y6-L124 HydrophobicContact CE1-CD1 4.44Å; Y6-L124 HydrophobicContact CG-CD2 4.14Å; E89-L124 HydrophobicContact CB-CB 4.15Å; E89-L124 HydrophobicContact CB-CD2 4.3Å; E89-L124 HydrophobicContact CG-CB 4.33Å; M90-L124 HydrophobicContact CG-CD2 3.57Å; M90-L124 HydrophobicContact SD-CD2 3.81Å; D122-L124 PolarHBondContact OD1-N 3.18Å; L124-P126 WeakPolarHBondContact O-CD 3.32Å; L124-Y429 HydrophobicContact CD1-CD1 4.21Å; L124-Y429 WeakPolarHBondContact CD1-O 3.38Å; L124-Y429 HydrophobicContact CD2-CD1 3.86Å; L124-Y429 HydrophobicContact CD2-CE1 4.41Å; L124-Y429 HydrophobicContact CG-CD1 3.85Å; L124-Y429 HydrophobicContact CG-CE1 4.48Å; L124-L432 HydrophobicContact CD1-CB 3.95Å; L124-H433 HydrophobicContact CD1-CB 3.86Å |
| 125 | T | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -104.2 | 95.7 | -171.5 | -19.1 | 0 | 0 | 0 | 0 | 110.1 | D122 K127 N436 T446 | D122-T125 PolarHBondContact OD1-N 2.57Å; D122-T125 PolarHBondContact OD1-OG1 3.44Å; D122-T125 WeakPolarHBondContact OD2-CB 3.47Å; D122-T125 PolarHBondContact OD2-OG1 3.38Å; T125-K127 WeakPolarHBondContact O-CD 3.42Å; T125-K127 PolarHBondContact O-NZ 3.07Å; T125-N436 WeakPolarHBondContact CG2-OD1 3.06Å; T125-N436 PolarHBondContact OG1-ND2 3.14Å; T125-N436 PolarHBondContact OG1-OD1 2.86Å; T125-T446 HydrophobicContact CG2-CG2 3.98Å |
| 126 | P | 97.8 | Very high | 96 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 8% | 0.078 | 12% | 0.117 | C | C | . | . | trans | -63.7 | 150.1 | 169.6 | 25.1 | -29.1 | 0 | 0 | 0 | 109.8 | N116 I117 Y118 L124 T446 I450 | N116-P126 HydrophobicContact CB-CB 3.8Å; N116-P126 HydrophobicContact CB-CG 4.39Å; I117-P126 CarbonylContact O-C 3.6Å; I117-P126 WeakPolarHBondContact O-CA 3.45Å; Y118-P126 VanDerWaalsContact CD1-CA 3.5Å; Y118-P126 HydrophobicContact CD1-CB 3.81Å; Y118-P126 HydrophobicContact CD1-CG 4.42Å; Y118-P126 HydrophobicContact CD2-CB 4.34Å; Y118-P126 HydrophobicContact CE1-CB 3.62Å; Y118-P126 VanDerWaalsContact CE1-CD 3.48Å; Y118-P126 HydrophobicContact CE1-CG 3.86Å; Y118-P126 HydrophobicContact CE2-CB 4.12Å; Y118-P126 HydrophobicContact CG-CB 4.15Å; L124-P126 WeakPolarHBondContact O-CD 3.32Å; P126-T446 HydrophobicContact CG-CG2 4.27Å; P126-I450 HydrophobicContact CB-CD1 3.58Å; P126-I450 HydrophobicContact CG-CD1 3.61Å; P126-I450 WeakPolarHBondContact O-CG2 3.34Å | ||
| 127 | K | 97.3 | Very high | 95.5 | Very high | 64 Ų | 64 | 23.9 Ų | 23.9 | 28% | 0.278 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -107.8 | -24.8 | -176.7 | -44.6 | -55.3 | -166 | -160 | 0 | 113 | I117 E119 D122 T125 I450 M465 | I117-K127 PolarHBondContact O-N 2.94Å; E119-K127 HydrophobicContact CG-CG 4.13Å; E119-K127 WeakPolarHBondContact OE1-CE 3.33Å; E119-K127 WeakPolarHBondContact OE2-CE 3.42Å; E119-K127 IonicContact OE2-NZ 2.71Å; E119-K127 PolarHBondContact OE2-NZ 2.98Å; D122-K127 IonicContact OD2-NZ 3.34Å; D122-K127 PolarHBondContact OD2-NZ 3.29Å; T125-K127 WeakPolarHBondContact O-CD 3.42Å; T125-K127 PolarHBondContact O-NZ 3.07Å; K127-I450 WeakPolarHBondContact O-CG2 3.5Å; K127-M465 HydrophobicContact CB-CE 4.09Å; K127-M465 HydrophobicContact CG-CE 4.04Å |
| 128 | I | 97.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 136.5 | -179.9 | -51.9 | 176.1 | 0 | 0 | 0 | 108.4 | N116 I117 F130 R458 Q461 F462 M465 | N116-I128 CarbonylContact C-O 3.49Å; N116-I128 WeakPolarHBondContact CA-O 3.48Å; I117-I128 HydrophobicContact CB-CB 4.2Å; I117-I128 HydrophobicContact CG1-CB 4.28Å; I117-I128 PolarHBondContact N-O 3.38Å; I128-F130 HydrophobicContact CG2-CE2 3.9Å; I128-F130 HydrophobicContact CG2-CZ 3.96Å; I128-R458 HydrophobicContact CG2-CB 3.81Å; I128-R458 HydrophobicContact CG2-CG 4.16Å; I128-Q461 HydrophobicContact CD1-CB 3.69Å; I128-Q461 HydrophobicContact CG1-CB 4.35Å; I128-F462 VanDerWaalsContact CD1-CA 3.46Å; I128-F462 HydrophobicContact CD1-CB 3.81Å; I128-M465 HydrophobicContact CD1-CG 4.21Å; I128-M465 HydrophobicContact CD1-SD 3.65Å; I128-M465 HydrophobicContact CG1-SD 4.32Å |
| 129 | G | 97 | Very high | 95 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L115 I450 R458 | L115-G129 CarbonylContact O-C 3.59Å; L115-G129 WeakPolarHBondContact O-CA 3.36Å; G129-I450 PolarHBondContact N-O 3.29Å; G129-R458 WeakPolarHBondContact O-CD 3.49Å; G129-R458 PolarHBondContact O-NH1 3.44Å |
| 130 | F | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 115.2 | 171.5 | -56 | -82.1 | 0 | 0 | 0 | 108.5 | G114 L115 I128 I135 F157 T455 R458 I459 | G114-F130 VanDerWaalsContact CA-O 3.32Å; G114-F130 WeakPolarHBondContact CA-O 3.46Å; L115-F130 HydrophobicContact CB-CB 4.5Å; L115-F130 PolarHBondContact N-O 2.9Å; L115-F130 PolarHBondContact O-N 2.95Å; I128-F130 HydrophobicContact CG2-CE2 3.9Å; I128-F130 HydrophobicContact CG2-CZ 3.96Å; F130-I135 HydrophobicContact CB-CD1 4.14Å; F130-F157 HydrophobicContact CD2-CE1 4.46Å; F130-F157 HydrophobicContact CE2-CD1 4.33Å; F130-F157 HydrophobicContact CE2-CE1 4.26Å; F130-F157 HydrophobicContact CE2-CE2 4.49Å; F130-F157 HydrophobicContact CE2-CZ 4.37Å; F130-T455 HydrophobicContact CD1-CG2 3.97Å; F130-T455 HydrophobicContact CE1-CG2 3.93Å; F130-R458 HydrophobicContact CE1-CB 3.62Å; F130-R458 HydrophobicContact CZ-CB 3.85Å; F130-I459 HydrophobicContact CE1-CG1 3.93Å; F130-I459 HydrophobicContact CZ-CG1 3.87Å |
| 131 | P | 95.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 154.3 | 173.1 | 31.3 | -35.8 | 0 | 0 | 0 | 110.3 | S133 E134 | P131-S133 WeakPolarHBondContact CB-OG 3.48Å; P131-S133 PolarHBondContact O-N 3.04Å; P131-E134 WeakPolarHBondContact CD-OE1 3.49Å; P131-E134 HydrophobicContact CG-CB 4.18Å; P131-E134 HydrophobicContact CG-CG 3.81Å; P131-E134 WeakPolarHBondContact CG-OE1 3.33Å; P131-E134 PolarHBondContact O-N 3.16Å |
| 132 | W | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -58.9 | -28.4 | 175.6 | -72.1 | 123.5 | 0 | 0 | 0 | 112.8 | V110 D111 G114 L115 E134 I135 I138 C174 N177 H178 Y181 | V110-W132 HydrophobicContact CG1-CH2 4.12Å; V110-W132 HydrophobicContact CG1-CZ2 3.93Å; D111-W132 PolarHBondContact O-NE1 3.1Å; G114-W132 WeakPolarHBondContact O-CZ2 3.45Å; L115-W132 HydrophobicContact CD1-CH2 4.26Å; L115-W132 HydrophobicContact CD1-CZ3 4.09Å; L115-W132 HydrophobicContact CD2-CH2 3.45Å; L115-W132 VanDerWaalsContact CD2-CH2 3.45Å; L115-W132 HydrophobicContact CD2-CZ2 4.05Å; L115-W132 HydrophobicContact CD2-CZ3 4.13Å; L115-W132 HydrophobicContact CG-CH2 3.67Å; L115-W132 HydrophobicContact CG-CZ2 4.32Å; L115-W132 HydrophobicContact CG-CZ3 3.87Å; W132-E134 PolarHBondContact O-N 3.33Å; W132-E134 VanDerWaalsContact O-N 3.14Å; W132-I135 HydrophobicContact CE3-CB 4.45Å; W132-I135 HydrophobicContact CE3-CG1 4.01Å; W132-I135 HydrophobicContact CZ3-CG1 4.42Å; W132-I135 PolarHBondContact O-N 3.46Å; W132-I135 VanDerWaalsContact O-N 3.13Å; W132-I138 HydrophobicContact CZ3-CD1 4.06Å; W132-C174 HydrophobicContact CH2-CB 3.63Å; W132-C174 HydrophobicContact CZ3-CB 4.05Å; W132-N177 HydrophobicContact CZ2-CB 3.81Å; W132-H178 HydrophobicContact CD2-CB 4.1Å; W132-H178 HydrophobicContact CE3-CB 3.95Å; W132-H178 HydrophobicContact CG-CB 4.48Å; W132-H178 HydrophobicContact CZ3-CB 4.48Å; W132-Y181 HydrophobicContact CB-CD1 3.4Å; W132-Y181 VanDerWaalsContact CB-CD1 3.4Å; W132-Y181 HydrophobicContact CB-CD2 3.91Å; W132-Y181 HydrophobicContact CB-CE1 3.57Å; W132-Y181 HydrophobicContact CB-CE2 4.05Å; W132-Y181 HydrophobicContact CB-CG 3.57Å; W132-Y181 AromaticContact CD1-CD2 3.6Å; W132-Y181 AromaticContact CD1-CG 3.72Å; W132-Y181 HydrophobicContact CG-CD1 4.3Å; W132-Y181 HydrophobicContact CG-CD2 4.16Å; W132-Y181 AromaticContact CG-CG 3.99Å; W132-Y181 HydrophobicContact CG-CG 3.99Å |
| 133 | S | 91.2 | Very high | 94.1 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -65.9 | -3 | 172.4 | 56.8 | 0 | 0 | 0 | 0 | 115.8 | P131 I150 Y181 Q391 | P131-S133 WeakPolarHBondContact CB-OG 3.48Å; P131-S133 PolarHBondContact O-N 3.04Å; S133-I150 WeakPolarHBondContact O-CD1 3.44Å; S133-Y181 PolarHBondContact OG-OH 3.03Å; S133-Q391 VanDerWaalsContact OG-CD 3.32Å; S133-Q391 PolarHBondContact OG-NE2 3.05Å |
| 134 | E | 93.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 16% | 0.164 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -103.2 | -3.8 | 171.3 | -81.2 | 178.3 | -142.5 | 0 | 0 | 113.5 | P131 W132 P149 I150 T455 R458 | P131-E134 WeakPolarHBondContact CD-OE1 3.49Å; P131-E134 HydrophobicContact CG-CB 4.18Å; P131-E134 HydrophobicContact CG-CG 3.81Å; P131-E134 WeakPolarHBondContact CG-OE1 3.33Å; P131-E134 PolarHBondContact O-N 3.16Å; W132-E134 PolarHBondContact O-N 3.33Å; W132-E134 VanDerWaalsContact O-N 3.14Å; E134-P149 CarbonylContact O-C 3.58Å; E134-P149 VanDerWaalsContact O-CA 3.31Å; E134-P149 WeakPolarHBondContact O-CA 3.48Å; E134-I150 PolarHBondContact O-N 3.41Å; E134-T455 VanDerWaalsContact CD-OG1 3.31Å; E134-T455 WeakPolarHBondContact OE2-CB 3.46Å; E134-T455 WeakPolarHBondContact OE2-CG2 3.43Å; E134-T455 PolarHBondContact OE2-OG1 2.78Å; E134-R458 VanDerWaalsContact CD-NH2 3.32Å; E134-R458 IonicContact OE1-CZ 2.72Å; E134-R458 IonicContact OE1-NH1 3.47Å; E134-R458 PolarHBondContact OE1-NH1 3.24Å; E134-R458 IonicContact OE1-NH2 2.68Å; E134-R458 PolarHBondContact OE1-NH2 2.99Å; E134-R458 IonicContact OE2-CZ 3.79Å; E134-R458 IonicContact OE2-NH1 2.69Å; E134-R458 PolarHBondContact OE2-NH1 3.13Å; E134-R458 IonicContact OE2-NH2 3.19Å; E134-R458 PolarHBondContact OE2-NH2 3.32Å; E134-R458 VanDerWaalsContact OE2-NH2 3.15Å |
| 135 | I | 93.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.5 | -168.6 | -49.1 | -55.1 | 0 | 0 | 0 | 111.7 | F130 W132 I138 I147 L381 | F130-I135 HydrophobicContact CB-CD1 4.14Å; W132-I135 HydrophobicContact CE3-CB 4.45Å; W132-I135 HydrophobicContact CE3-CG1 4.01Å; W132-I135 HydrophobicContact CZ3-CG1 4.42Å; W132-I135 PolarHBondContact O-N 3.46Å; W132-I135 VanDerWaalsContact O-N 3.13Å; I135-I138 HydrophobicContact CG2-CD1 3.92Å; I135-I138 HydrophobicContact CG2-CG1 3.77Å; I135-I147 HydrophobicContact CD1-CG2 3.9Å; I135-I147 HydrophobicContact CG2-CG2 3.74Å; I135-L381 HydrophobicContact CG2-CD1 4.14Å |
| 136 | R | 91.1 | Very high | 94 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 16% | 0.158 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -47.8 | -179.6 | -171.9 | 178.5 | -70.8 | -84.2 | -0.3 | 113.4 | K148 P149 I150 L381 T382 D384 | R136-K148 WeakPolarHBondContact CB-O 3.5Å; R136-K148 PolarHBondContact N-O 3.44Å; R136-P149 WeakPolarHBondContact CB-O 3.19Å; R136-I150 HydrophobicContact CB-CG1 3.92Å; R136-I150 PolarHBondContact NH2-O 3.3Å; R136-L381 PolarHBondContact O-N 3.16Å; R136-T382 WeakPolarHBondContact CA-OG1 3.45Å; R136-T382 PolarHBondContact O-N 2.71Å; R136-D384 IonicContact CZ-OD1 2.86Å; R136-D384 IonicContact NH1-OD1 3.72Å; R136-D384 PolarHBondContact NH1-OD1 3.16Å; R136-D384 VanDerWaalsContact NH1-OD1 3.08Å; R136-D384 IonicContact NH2-OD1 3.25Å |
| 137 | N | 89.4 | Confident | 94 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 138.9 | -168.1 | -168.3 | -54.3 | 0 | 0 | 0 | 109.4 | K148 E380 | N137-K148 HydrophobicContact CB-CB 4.2Å; N137-K148 HydrophobicContact CB-CG 4.47Å; N137-K148 PolarHBondContact N-O 2.98Å; N137-K148 PolarHBondContact O-N 3.42Å; N137-E380 PolarHBondContact ND2-OE1 3.26Å |
| 138 | I | 93.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132 | 179.9 | -63.6 | 178.3 | 0 | 0 | 0 | 109.6 | W132 I135 F145 I147 L171 C174 L381 | W132-I138 HydrophobicContact CZ3-CD1 4.06Å; I135-I138 HydrophobicContact CG2-CD1 3.92Å; I135-I138 HydrophobicContact CG2-CG1 3.77Å; I138-F145 HydrophobicContact CG2-CD1 4.36Å; I138-F145 HydrophobicContact CG2-CE1 3.28Å; I138-F145 HydrophobicContact CG2-CZ 3.39Å; I138-I147 HydrophobicContact CD1-CD1 4.46Å; I138-I147 HydrophobicContact CG1-CD1 4.47Å; I138-I147 HydrophobicContact CG1-CG1 4.22Å; I138-I147 HydrophobicContact CG1-CG2 4.2Å; I138-I147 HydrophobicContact CG2-CG1 4.35Å; I138-L171 HydrophobicContact CB-CD1 4.21Å; I138-L171 HydrophobicContact CG2-CD1 3.71Å; I138-C174 HydrophobicContact CD1-CB 3.52Å; I138-L381 HydrophobicContact CB-CD1 4.16Å; I138-L381 HydrophobicContact CD1-CD1 3.53Å; I138-L381 HydrophobicContact CG1-CD1 3.59Å |
| 139 | S | 91.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 32% | 0.315 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 166 | -179.8 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | V146 | S139-V146 PolarHBondContact N-O 3.09Å; S139-V146 PolarHBondContact O-N 3.28Å; S139-V146 VanDerWaalsContact O-O 3.07Å; S139-V146 PolarHBondContact OG-O 3.21Å |
| 140 | F | 91.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 23% | 0.232 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 159.7 | 169.4 | 67.9 | -97.5 | 0 | 0 | 0 | 111.3 | K144 F145 L164 N167 K168 L171 | F140-K144 CarbonylContact C-O 3.4Å; F140-K144 VanDerWaalsContact CA-O 3.23Å; F140-K144 WeakPolarHBondContact CA-O 3.3Å; F140-K144 WeakPolarHBondContact CB-O 3.32Å; F140-F145 HydrophobicContact CB-CB 4.46Å; F140-F145 HydrophobicContact CB-CD2 3.55Å; F140-F145 HydrophobicContact CB-CE2 4.06Å; F140-F145 HydrophobicContact CB-CG 4.19Å; F140-F145 HydrophobicContact CD1-CD2 4.2Å; F140-F145 AromaticContact CD1-CE2 3.88Å; F140-F145 HydrophobicContact CD1-CE2 3.88Å; F140-F145 HydrophobicContact CG-CD2 4.21Å; F140-F145 HydrophobicContact CG-CE2 4.36Å; F140-L164 HydrophobicContact CD2-CD1 4.28Å; F140-L164 HydrophobicContact CE2-CD1 3.66Å; F140-N167 HydrophobicContact CB-CB 4.18Å; F140-N167 HydrophobicContact CD1-CB 3.93Å; F140-N167 HydrophobicContact CD2-CB 3.76Å; F140-N167 HydrophobicContact CE1-CB 4.25Å; F140-N167 HydrophobicContact CE2-CB 4.13Å; F140-N167 HydrophobicContact CG-CB 3.69Å; F140-N167 HydrophobicContact CZ-CB 4.36Å; F140-K168 HydrophobicContact CE1-CG 4.39Å; F140-K168 HydrophobicContact CZ-CG 3.73Å; F140-L171 HydrophobicContact CD1-CB 4.19Å; F140-L171 HydrophobicContact CD1-CD2 4.17Å; F140-L171 HydrophobicContact CE1-CB 3.98Å; F140-L171 HydrophobicContact CE1-CD2 3.7Å; F140-L171 HydrophobicContact CE1-CG 4.46Å |
| 141 | N | 90.7 | Very high | 93.1 | Very high | 133 Ų | 133 | 40.4 Ų | 40.4 | 71% | 0.711 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 123.3 | 168.9 | -172.7 | 7.2 | 0 | 0 | 0 | 109.2 | K143 K144 | N141-K143 PolarHBondContact O-N 3.43Å; N141-K143 VanDerWaalsContact O-N 3.08Å; N141-K144 PolarHBondContact N-O 2.92Å; N141-K144 PolarHBondContact O-N 3.39Å |
| 142 | D | 91 | Very high | 92.8 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.8 | -110.1 | -164.4 | 178.4 | 44.7 | 0 | 0 | 0 | 112.3 | N167 | D142-N167 PolarHBondContact O-ND2 3.03Š|
| 143 | K | 93.9 | Very high | 92.7 | Very high | 104 Ų | 104 | 57.3 Ų | 57.3 | 45% | 0.452 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -23.9 | 179.9 | -70.4 | 164.4 | -172.8 | 169.8 | 0 | 113.6 | N141 F145 Y160 A161 N167 | N141-K143 PolarHBondContact O-N 3.43Å; N141-K143 VanDerWaalsContact O-N 3.08Å; K143-F145 PolarHBondContact O-N 2.89Å; K143-Y160 WeakPolarHBondContact O-CA 3.3Å; K143-A161 WeakPolarHBondContact CB-O 3.35Å; K143-A161 WeakPolarHBondContact CG-O 3.48Å; K143-A161 PolarHBondContact O-N 2.63Å; K143-N167 WeakPolarHBondContact CA-ND2 3.31Å; K143-N167 PolarHBondContact O-ND2 3.48Å |
| 144 | K | 95.7 | Very high | 92.8 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 115.5 | -175.2 | -176 | -172.5 | 178.5 | -173.1 | 0 | 110.5 | F140 N141 V146 I158 Y160 | F140-K144 CarbonylContact C-O 3.4Å; F140-K144 VanDerWaalsContact CA-O 3.23Å; F140-K144 WeakPolarHBondContact CA-O 3.3Å; F140-K144 WeakPolarHBondContact CB-O 3.32Å; N141-K144 PolarHBondContact N-O 2.92Å; N141-K144 PolarHBondContact O-N 3.39Å; K144-V146 HydrophobicContact CD-CG2 4.23Å; K144-V146 HydrophobicContact CG-CG2 4.1Å; K144-I158 HydrophobicContact CD-CG2 4.43Å; K144-I158 HydrophobicContact CG-CG2 3.98Å; K144-Y160 HydrophobicContact CB-CD1 4.02Å; K144-Y160 HydrophobicContact CB-CE1 3.85Å; K144-Y160 HydrophobicContact CD-CE1 4.41Å; K144-Y160 HydrophobicContact CG-CD1 4.34Å; K144-Y160 HydrophobicContact CG-CE1 3.82Å |
| 145 | F | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.7 | 171.6 | -148.9 | -93.2 | 0 | 0 | 0 | 109.8 | I138 F140 K143 I147 I158 F159 N167 I170 L171 | I138-F145 HydrophobicContact CG2-CD1 4.36Å; I138-F145 HydrophobicContact CG2-CE1 3.28Å; I138-F145 HydrophobicContact CG2-CZ 3.39Å; F140-F145 HydrophobicContact CB-CB 4.46Å; F140-F145 HydrophobicContact CB-CD2 3.55Å; F140-F145 HydrophobicContact CB-CE2 4.06Å; F140-F145 HydrophobicContact CB-CG 4.19Å; F140-F145 HydrophobicContact CD1-CD2 4.2Å; F140-F145 AromaticContact CD1-CE2 3.88Å; F140-F145 HydrophobicContact CD1-CE2 3.88Å; F140-F145 HydrophobicContact CG-CD2 4.21Å; F140-F145 HydrophobicContact CG-CE2 4.36Å; K143-F145 PolarHBondContact O-N 2.89Å; F145-I147 HydrophobicContact CD1-CD1 4.03Å; F145-I147 HydrophobicContact CD1-CG1 3.75Å; F145-I147 HydrophobicContact CE1-CD1 3.81Å; F145-I147 HydrophobicContact CE1-CG1 3.76Å; F145-I158 WeakPolarHBondContact O-CA 3.35Å; F145-F159 HydrophobicContact CB-CD1 4.27Å; F145-F159 HydrophobicContact CB-CD2 3.72Å; F145-F159 HydrophobicContact CB-CE1 3.96Å; F145-F159 HydrophobicContact CB-CE2 3.35Å; F145-F159 HydrophobicContact CB-CG 4.17Å; F145-F159 HydrophobicContact CB-CZ 3.48Å; F145-F159 VanDerWaalsContact CB-CZ 3.48Å; F145-F159 HydrophobicContact CD1-CD1 4.42Å; F145-F159 AromaticContact CD1-CE1 3.45Å; F145-F159 HydrophobicContact CD1-CE1 3.45Å; F145-F159 VanDerWaalsContact CD1-CE1 3.45Å; F145-F159 AromaticContact CD1-CE2 3.94Å; F145-F159 HydrophobicContact CD1-CE2 3.94Å; F145-F159 AromaticContact CD1-CZ 3.14Å; F145-F159 HydrophobicContact CD1-CZ 3.14Å; F145-F159 HydrophobicContact CD2-CE2 4.27Å; F145-F159 HydrophobicContact CD2-CZ 4.14Å; F145-F159 HydrophobicContact CE1-CE1 4.21Å; F145-F159 AromaticContact CE1-CZ 3.81Å; F145-F159 HydrophobicContact CE1-CZ 3.81Å; F145-F159 HydrophobicContact CG-CD2 4.45Å; F145-F159 AromaticContact CG-CE1 3.97Å; F145-F159 HydrophobicContact CG-CE1 3.97Å; F145-F159 AromaticContact CG-CE2 3.62Å; F145-F159 HydrophobicContact CG-CE2 3.62Å; F145-F159 AromaticContact CG-CZ 3.33Å; F145-F159 HydrophobicContact CG-CZ 3.33Å; F145-F159 PolarHBondContact N-O 3.29Å; F145-F159 PolarHBondContact O-N 2.75Å; F145-N167 HydrophobicContact CD2-CB 4.04Å; F145-N167 WeakPolarHBondContact CD2-OD1 3Å; F145-N167 HydrophobicContact CE2-CB 4.36Å; F145-I170 HydrophobicContact CD2-CG2 4.46Å; F145-I170 HydrophobicContact CE1-CG2 3.93Å; F145-I170 HydrophobicContact CE2-CB 3.91Å; F145-I170 HydrophobicContact CE2-CG2 3.73Å; F145-I170 HydrophobicContact CZ-CB 4.07Å; F145-I170 HydrophobicContact CZ-CG2 3.42Å; F145-I170 VanDerWaalsContact CZ-CG2 3.42Å; F145-L171 HydrophobicContact CE2-CB 4.37Å; F145-L171 HydrophobicContact CZ-CB 4.4Å |
| 146 | V | 96.7 | Very high | 93.1 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 118 | -174.9 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | S139 K144 D156 I158 | S139-V146 PolarHBondContact N-O 3.09Å; S139-V146 PolarHBondContact O-N 3.28Å; S139-V146 VanDerWaalsContact O-O 3.07Å; S139-V146 PolarHBondContact OG-O 3.21Å; K144-V146 HydrophobicContact CD-CG2 4.23Å; K144-V146 HydrophobicContact CG-CG2 4.1Å; V146-D156 HydrophobicContact CG1-CB 4.03Å; V146-D156 WeakPolarHBondContact CG1-OD2 3.4Å; V146-I158 HydrophobicContact CG1-CG1 4.23Å; V146-I158 HydrophobicContact CG2-CG1 4.3Å |
| 147 | I | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.3 | 179.3 | -58 | -167.5 | 0 | 0 | 0 | 108 | L115 I135 I138 F145 F157 F159 | L115-I147 HydrophobicContact CD1-CD1 3.38Å; I135-I147 HydrophobicContact CD1-CG2 3.9Å; I135-I147 HydrophobicContact CG2-CG2 3.74Å; I138-I147 HydrophobicContact CD1-CD1 4.46Å; I138-I147 HydrophobicContact CG1-CD1 4.47Å; I138-I147 HydrophobicContact CG1-CG1 4.22Å; I138-I147 HydrophobicContact CG1-CG2 4.2Å; I138-I147 HydrophobicContact CG2-CG1 4.35Å; F145-I147 HydrophobicContact CD1-CD1 4.03Å; F145-I147 HydrophobicContact CD1-CG1 3.75Å; F145-I147 HydrophobicContact CE1-CD1 3.81Å; F145-I147 HydrophobicContact CE1-CG1 3.76Å; I147-F157 HydrophobicContact CB-CB 4.21Å; I147-F157 HydrophobicContact CB-CD1 3.93Å; I147-F157 HydrophobicContact CD1-CD1 3.94Å; I147-F157 HydrophobicContact CD1-CE1 4.08Å; I147-F157 HydrophobicContact CG1-CD1 4.23Å; I147-F157 HydrophobicContact CG2-CD1 4.34Å; I147-F157 PolarHBondContact N-O 2.86Å; I147-F157 PolarHBondContact O-N 2.92Å; I147-F159 HydrophobicContact CD1-CE1 3.98Å; I147-F159 HydrophobicContact CG1-CE1 4.44Å |
| 148 | K | 94.4 | Very high | 93.8 | Very high | 82 Ų | 82 | 63.1 Ų | 63.1 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.6 | 178.7 | -57.3 | -165.3 | 164.5 | -79.2 | 0 | 110 | R136 N137 D156 | R136-K148 WeakPolarHBondContact CB-O 3.5Å; R136-K148 PolarHBondContact N-O 3.44Å; N137-K148 HydrophobicContact CB-CB 4.2Å; N137-K148 HydrophobicContact CB-CG 4.47Å; N137-K148 PolarHBondContact N-O 2.98Å; N137-K148 PolarHBondContact O-N 3.42Å; K148-D156 WeakPolarHBondContact CG-OD1 3.3Å; K148-D156 IonicContact NZ-OD1 2.58Å; K148-D156 PolarHBondContact NZ-OD1 2.86Å; K148-D156 IonicContact NZ-OD2 3.23Å; K148-D156 PolarHBondContact NZ-OD2 2.63Å |
| 149 | P | 94.2 | Very high | 94 | Very high | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.071 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 162 | 175.1 | 29.8 | -34.6 | 0 | 0 | 0 | 112.3 | E134 R136 T455 | E134-P149 CarbonylContact O-C 3.58Å; E134-P149 VanDerWaalsContact O-CA 3.31Å; E134-P149 WeakPolarHBondContact O-CA 3.48Å; R136-P149 WeakPolarHBondContact CB-O 3.19Å; P149-T455 HydrophobicContact CB-CG2 3.86Å |
| 150 | I | 91.1 | Very high | 94.3 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -69.1 | -37.7 | 170.3 | -67.2 | -177.6 | 0 | 0 | 0 | 110.7 | S133 E134 R136 K152 T382 | S133-I150 WeakPolarHBondContact O-CD1 3.44Å; E134-I150 PolarHBondContact O-N 3.41Å; R136-I150 HydrophobicContact CB-CG1 3.92Å; R136-I150 PolarHBondContact NH2-O 3.3Å; I150-K152 PolarHBondContact O-N 2.76Å; I150-K152 VanDerWaalsContact O-N 3.12Å; I150-T382 HydrophobicContact CD1-CG2 3.87Å; I150-T382 WeakPolarHBondContact CD1-OG1 3.28Å |
| 151 | D | 90.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -66.1 | 106.4 | 170.8 | 172.5 | 29.8 | 0 | 0 | 0 | 111 | K153 S154 | D151-K153 PolarHBondContact O-N 3.19Å; D151-K153 VanDerWaalsContact O-N 3.13Å; D151-K153 WeakPolarHBondContact OD1-CB 3.18Å; D151-K153 PolarHBondContact OD1-N 2.79Å; D151-S154 PolarHBondContact O-N 3.18Å; D151-S154 VanDerWaalsContact O-N 3.11Å; D151-S154 WeakPolarHBondContact OD2-CB 3.39Å; D151-S154 PolarHBondContact OD2-N 2.88Å; D151-S154 VanDerWaalsContact OD2-N 3.1Å; D151-S154 PolarHBondContact OD2-OG 3.43Å |
| 152 | K | 89.5 | Confident | 94.7 | Very high | 165 Ų | 165 | 59.1 Ų | 59.1 | 72% | 0.717 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -8.1 | 179 | -59.5 | 178.1 | -176.3 | 173.1 | 0 | 113.5 | I150 | I150-K152 PolarHBondContact O-N 2.76Å; I150-K152 VanDerWaalsContact O-N 3.12Å |
| 153 | K | 92.1 | Very high | 94.7 | Very high | 193 Ų | 193 | 62.3 Ų | 62.3 | 84% | 0.839 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -23.8 | 173.3 | -57.8 | 177.8 | -178.9 | 177.5 | 0 | 112.8 | D151 | D151-K153 PolarHBondContact O-N 3.19Å; D151-K153 VanDerWaalsContact O-N 3.13Å; D151-K153 WeakPolarHBondContact OD1-CB 3.18Å; D151-K153 PolarHBondContact OD1-N 2.79Å |
| 154 | S | 93.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.4 | 145.2 | 176.1 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | D151 Q456 | D151-S154 PolarHBondContact O-N 3.18Å; D151-S154 VanDerWaalsContact O-N 3.11Å; D151-S154 WeakPolarHBondContact OD2-CB 3.39Å; D151-S154 PolarHBondContact OD2-N 2.88Å; D151-S154 VanDerWaalsContact OD2-N 3.1Å; D151-S154 PolarHBondContact OD2-OG 3.43Å; S154-Q456 WeakPolarHBondContact OG-CB 3.4Å; S154-Q456 PolarHBondContact OG-N 3.28Å; S154-Q456 VanDerWaalsContact OG-N 3.1Å |
| 155 | R | 95.3 | Very high | 94.2 | Very high | 153 Ų | 153 | 65.9 Ų | 65.9 | 58% | 0.577 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 158.7 | 177.2 | -62.5 | -169.6 | -75.4 | 173.7 | 0.1 | 111 | F157 Q456 I459 D460 | R155-F157 PolarHBondContact O-N 3.47Å; R155-Q456 VanDerWaalsContact NE-NE2 3.17Å; R155-I459 WeakPolarHBondContact O-CD1 3.23Å; R155-D460 IonicContact CZ-OD1 3.16Å; R155-D460 IonicContact NE-OD1 3.31Å; R155-D460 IonicContact NH2-OD1 3.42Å; R155-D460 PolarHBondContact NH2-OD1 3.16Å |
| 156 | D | 96.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 67.4 Ų | 67.4 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -60 | 130.1 | 170.4 | -73.2 | -4.2 | 0 | 0 | 0 | 110.4 | V146 K148 I158 | V146-D156 HydrophobicContact CG1-CB 4.03Å; V146-D156 WeakPolarHBondContact CG1-OD2 3.4Å; K148-D156 WeakPolarHBondContact CG-OD1 3.3Å; K148-D156 IonicContact NZ-OD1 2.58Å; K148-D156 PolarHBondContact NZ-OD1 2.86Å; K148-D156 IonicContact NZ-OD2 3.23Å; K148-D156 PolarHBondContact NZ-OD2 2.63Å; D156-I158 HydrophobicContact CB-CD1 4.04Å; D156-I158 HydrophobicContact CB-CG1 3.98Å |
| 157 | F | 97.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 66.5 Ų | 66.5 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.8 | 168.4 | 171.6 | -134.1 | 0 | 0 | 0 | 108.5 | I117 F130 I147 R155 F159 I459 F462 | I117-F157 HydrophobicContact CD1-CZ 3.77Å; I117-F157 HydrophobicContact CG1-CZ 4.5Å; F130-F157 HydrophobicContact CD2-CE1 4.46Å; F130-F157 HydrophobicContact CE2-CD1 4.33Å; F130-F157 HydrophobicContact CE2-CE1 4.26Å; F130-F157 HydrophobicContact CE2-CE2 4.49Å; F130-F157 HydrophobicContact CE2-CZ 4.37Å; I147-F157 HydrophobicContact CB-CB 4.21Å; I147-F157 HydrophobicContact CB-CD1 3.93Å; I147-F157 HydrophobicContact CD1-CD1 3.94Å; I147-F157 HydrophobicContact CD1-CE1 4.08Å; I147-F157 HydrophobicContact CG1-CD1 4.23Å; I147-F157 HydrophobicContact CG2-CD1 4.34Å; I147-F157 PolarHBondContact N-O 2.86Å; I147-F157 PolarHBondContact O-N 2.92Å; R155-F157 PolarHBondContact O-N 3.47Å; F157-F159 AromaticContact CE1-CD1 3.88Å; F157-F159 HydrophobicContact CE1-CD1 3.88Å; F157-F159 HydrophobicContact CE1-CE1 4.02Å; F157-F159 HydrophobicContact CE2-CD1 4.29Å; F157-F159 AromaticContact CZ-CD1 3.68Å; F157-F159 HydrophobicContact CZ-CD1 3.68Å; F157-F159 HydrophobicContact CZ-CE1 4.24Å; F157-I459 HydrophobicContact CB-CD1 3.84Å; F157-I459 HydrophobicContact CB-CG1 4.01Å; F157-F462 HydrophobicContact CD2-CD1 4.08Å; F157-F462 HydrophobicContact CD2-CE1 4.32Å; F157-F462 HydrophobicContact CD2-CG 4.4Å; F157-F462 HydrophobicContact CE2-CB 4.48Å; F157-F462 AromaticContact CE2-CD1 3.61Å; F157-F462 HydrophobicContact CE2-CD1 3.61Å; F157-F462 AromaticContact CE2-CD2 3.86Å; F157-F462 HydrophobicContact CE2-CD2 3.86Å; F157-F462 AromaticContact CE2-CE1 3.68Å; F157-F462 HydrophobicContact CE2-CE1 3.68Å; F157-F462 AromaticContact CE2-CE2 3.92Å; F157-F462 HydrophobicContact CE2-CE2 3.92Å; F157-F462 AromaticContact CE2-CG 3.7Å; F157-F462 HydrophobicContact CE2-CG 3.7Å; F157-F462 AromaticContact CE2-CZ 3.83Å; F157-F462 HydrophobicContact CE2-CZ 3.83Å; F157-F462 HydrophobicContact CZ-CD2 4.43Å; F157-F462 HydrophobicContact CZ-CE2 4.31Å; F157-F462 HydrophobicContact CZ-CZ 4.43Å |
| 158 | I | 97.6 | Very high | 93.3 | Very high | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.7 | -169.7 | -64 | 172.6 | 0 | 0 | 0 | 109.5 | K144 F145 V146 D156 Y160 F462 | K144-I158 HydrophobicContact CD-CG2 4.43Å; K144-I158 HydrophobicContact CG-CG2 3.98Å; F145-I158 WeakPolarHBondContact O-CA 3.35Å; V146-I158 HydrophobicContact CG1-CG1 4.23Å; V146-I158 HydrophobicContact CG2-CG1 4.3Å; D156-I158 HydrophobicContact CB-CD1 4.04Å; D156-I158 HydrophobicContact CB-CG1 3.98Å; I158-Y160 HydrophobicContact CG2-CE2 4.29Å; I158-F462 WeakPolarHBondContact O-CE1 3.47Å |
| 159 | F | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 171.2 | 172.8 | 63.6 | -98.4 | 0 | 0 | 0 | 111 | I98 R99 L108 F145 I147 F157 I170 F462 | I98-F159 HydrophobicContact CB-CB 4.42Å; I98-F159 HydrophobicContact CB-CD2 3.83Å; I98-F159 HydrophobicContact CB-CE2 4.5Å; I98-F159 HydrophobicContact CB-CG 4.37Å; I98-F159 HydrophobicContact CD1-CB 3.91Å; I98-F159 HydrophobicContact CD1-CD1 4.48Å; I98-F159 HydrophobicContact CD1-CD2 4.2Å; I98-F159 HydrophobicContact CD1-CG 3.97Å; I98-F159 HydrophobicContact CG2-CD2 3.43Å; I98-F159 VanDerWaalsContact CG2-CD2 3.43Å; I98-F159 HydrophobicContact CG2-CE2 3.62Å; I98-F159 HydrophobicContact CG2-CG 4.31Å; R99-F159 CarbonylContact O-C 3.6Å; R99-F159 WeakPolarHBondContact O-CA 3.11Å; R99-F159 WeakPolarHBondContact O-CB 3.47Å; L108-F159 HydrophobicContact CD2-CE1 3.98Å; L108-F159 HydrophobicContact CD2-CE2 4.04Å; L108-F159 HydrophobicContact CD2-CZ 3.47Å; L108-F159 VanDerWaalsContact CD2-CZ 3.47Å; F145-F159 HydrophobicContact CB-CD1 4.27Å; F145-F159 HydrophobicContact CB-CD2 3.72Å; F145-F159 HydrophobicContact CB-CE1 3.96Å; F145-F159 HydrophobicContact CB-CE2 3.35Å; F145-F159 HydrophobicContact CB-CG 4.17Å; F145-F159 HydrophobicContact CB-CZ 3.48Å; F145-F159 VanDerWaalsContact CB-CZ 3.48Å; F145-F159 HydrophobicContact CD1-CD1 4.42Å; F145-F159 AromaticContact CD1-CE1 3.45Å; F145-F159 HydrophobicContact CD1-CE1 3.45Å; F145-F159 VanDerWaalsContact CD1-CE1 3.45Å; F145-F159 AromaticContact CD1-CE2 3.94Å; F145-F159 HydrophobicContact CD1-CE2 3.94Å; F145-F159 AromaticContact CD1-CZ 3.14Å; F145-F159 HydrophobicContact CD1-CZ 3.14Å; F145-F159 HydrophobicContact CD2-CE2 4.27Å; F145-F159 HydrophobicContact CD2-CZ 4.14Å; F145-F159 HydrophobicContact CE1-CE1 4.21Å; F145-F159 AromaticContact CE1-CZ 3.81Å; F145-F159 HydrophobicContact CE1-CZ 3.81Å; F145-F159 HydrophobicContact CG-CD2 4.45Å; F145-F159 AromaticContact CG-CE1 3.97Å; F145-F159 HydrophobicContact CG-CE1 3.97Å; F145-F159 AromaticContact CG-CE2 3.62Å; F145-F159 HydrophobicContact CG-CE2 3.62Å; F145-F159 AromaticContact CG-CZ 3.33Å; F145-F159 HydrophobicContact CG-CZ 3.33Å; F145-F159 PolarHBondContact N-O 3.29Å; F145-F159 PolarHBondContact O-N 2.75Å; I147-F159 HydrophobicContact CD1-CE1 3.98Å; I147-F159 HydrophobicContact CG1-CE1 4.44Å; F157-F159 AromaticContact CE1-CD1 3.88Å; F157-F159 HydrophobicContact CE1-CD1 3.88Å; F157-F159 HydrophobicContact CE1-CE1 4.02Å; F157-F159 HydrophobicContact CE2-CD1 4.29Å; F157-F159 AromaticContact CZ-CD1 3.68Å; F157-F159 HydrophobicContact CZ-CD1 3.68Å; F157-F159 HydrophobicContact CZ-CE1 4.24Å; F159-I170 HydrophobicContact CE2-CD1 4.06Å; F159-I170 HydrophobicContact CZ-CD1 4.42Å; F159-I170 HydrophobicContact CZ-CG2 4.37Å; F159-F462 HydrophobicContact CB-CE1 4.4Å; F159-F462 HydrophobicContact CB-CZ 3.82Å |
| 160 | Y | 98.1 | Very high | 93.2 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122 | -177.5 | -56.7 | -92.4 | 0 | 0 | 0 | 110.4 | I98 R99 K101 K143 K144 I158 | I98-Y160 CarbonylContact C-O 3.59Å; I98-Y160 WeakPolarHBondContact CA-O 3.06Å; R99-Y160 PolarHBondContact N-O 3.5Å; R99-Y160 PolarHBondContact O-N 3.13Å; K101-Y160 HydrophobicContact CG-CE2 4.13Å; K143-Y160 WeakPolarHBondContact O-CA 3.3Å; K144-Y160 HydrophobicContact CB-CD1 4.02Å; K144-Y160 HydrophobicContact CB-CE1 3.85Å; K144-Y160 HydrophobicContact CD-CE1 4.41Å; K144-Y160 HydrophobicContact CG-CD1 4.34Å; K144-Y160 HydrophobicContact CG-CE1 3.82Å; I158-Y160 HydrophobicContact CG2-CE2 4.29Å |
| 161 | A | 96.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 74.2 Ų | 74.2 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | trans | -96.7 | 149 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K143 R163 I166 N167 I170 | K143-A161 WeakPolarHBondContact CB-O 3.35Å; K143-A161 WeakPolarHBondContact CG-O 3.48Å; K143-A161 PolarHBondContact O-N 2.63Å; A161-R163 VanDerWaalsContact C-N 3.31Å; A161-R163 PolarHBondContact O-N 2.9Å; A161-I166 HydrophobicContact CB-CB 4.32Å; A161-I166 HydrophobicContact CB-CG2 3.89Å; A161-N167 WeakPolarHBondContact CB-OD1 3.31Å; A161-I170 HydrophobicContact CB-CD1 4.49Å | ||
| 162 | P | 93.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 73.9 Ų | 73.9 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -72.2 | -17.2 | -170.6 | 25.2 | -33 | 0 | 0 | 0 | 115 | E97 I166 | E97-P162 VanDerWaalsContact O-CD 3.27Å; E97-P162 WeakPolarHBondContact O-CD 3.33Å; P162-I166 HydrophobicContact CG-CD1 3.88Å |
| 163 | R | 90.8 | Very high | 93.5 | Very high | 150 Ų | 150 | 68.1 Ų | 68.1 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -144.5 | 137.5 | -176 | -52.1 | -174.7 | -169 | -166.1 | 4.3 | 112 | A161 R165 I166 | A161-R163 VanDerWaalsContact C-N 3.31Å; A161-R163 PolarHBondContact O-N 2.9Å; R163-R165 HydrophobicContact CB-CG 4.26Å; R163-R165 PolarHBondContact O-N 3.13Å; R163-R165 VanDerWaalsContact O-N 3.11Å; R163-I166 HydrophobicContact CB-CD1 4.07Å; R163-I166 HydrophobicContact CB-CG1 4.38Å; R163-I166 HydrophobicContact CG-CD1 4.33Å; R163-I166 VanDerWaalsContact O-CB 3.29Å; R163-I166 WeakPolarHBondContact O-CB 3.34Å; R163-I166 PolarHBondContact O-N 2.82Å |
| 164 | L | 87.7 | Confident | 93.6 | Very high | 85 Ų | 85 | 59 Ų | 59 | 45% | 0.445 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -47.7 | -41.4 | 176.6 | -178.5 | 67.7 | 0 | 0 | 0 | 114.1 | F140 I166 N167 K168 | F140-L164 HydrophobicContact CD2-CD1 4.28Å; F140-L164 HydrophobicContact CE2-CD1 3.66Å; L164-I166 PolarHBondContact O-N 2.7Å; L164-N167 PolarHBondContact O-N 2.99Å; L164-N167 VanDerWaalsContact O-N 3.16Å; L164-K168 PolarHBondContact O-N 3.17Å; L164-K168 VanDerWaalsContact O-N 3.12Å |
| 165 | R | 90.9 | Very high | 93.5 | Very high | 181 Ų | 181 | 59.3 Ų | 59.3 | 68% | 0.683 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.2 | -27.6 | 178.5 | 76.6 | -179.6 | -168.7 | 176.6 | 5.6 | 113.7 | R163 R169 | R163-R165 HydrophobicContact CB-CG 4.26Å; R163-R165 PolarHBondContact O-N 3.13Å; R163-R165 VanDerWaalsContact O-N 3.11Å; R165-R169 PolarHBondContact O-N 3.33Å |
| 166 | I | 91.8 | Very high | 93.2 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.9 | -46.8 | 177.4 | -67 | 166.8 | 0 | 0 | 0 | 109.2 | F96 A161 P162 R163 L164 K168 R169 I170 | F96-I166 HydrophobicContact CD1-CG2 3.55Å; F96-I166 HydrophobicContact CE1-CG2 4.02Å; F96-I166 HydrophobicContact CG-CG2 4.48Å; A161-I166 HydrophobicContact CB-CB 4.32Å; A161-I166 HydrophobicContact CB-CG2 3.89Å; P162-I166 HydrophobicContact CG-CD1 3.88Å; R163-I166 HydrophobicContact CB-CD1 4.07Å; R163-I166 HydrophobicContact CB-CG1 4.38Å; R163-I166 HydrophobicContact CG-CD1 4.33Å; R163-I166 VanDerWaalsContact O-CB 3.29Å; R163-I166 WeakPolarHBondContact O-CB 3.34Å; R163-I166 PolarHBondContact O-N 2.82Å; L164-I166 PolarHBondContact O-N 2.7Å; I166-K168 VanDerWaalsContact C-N 3.3Å; I166-K168 PolarHBondContact O-N 2.88Å; I166-R169 PolarHBondContact O-N 3.34Å; I166-I170 HydrophobicContact CG2-CD1 3.73Å; I166-I170 HydrophobicContact CG2-CG1 4.18Å; I166-I170 WeakPolarHBondContact O-CG1 3.36Å; I166-I170 PolarHBondContact O-N 3.37Å |
| 167 | N | 89.8 | Confident | 93.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -38.9 | 176.5 | -76.7 | -18.3 | 0 | 0 | 0 | 112.7 | F140 D142 K143 F145 A161 L164 R169 I170 L171 | F140-N167 HydrophobicContact CB-CB 4.18Å; F140-N167 HydrophobicContact CD1-CB 3.93Å; F140-N167 HydrophobicContact CD2-CB 3.76Å; F140-N167 HydrophobicContact CE1-CB 4.25Å; F140-N167 HydrophobicContact CE2-CB 4.13Å; F140-N167 HydrophobicContact CG-CB 3.69Å; F140-N167 HydrophobicContact CZ-CB 4.36Å; D142-N167 PolarHBondContact O-ND2 3.03Å; K143-N167 WeakPolarHBondContact CA-ND2 3.31Å; K143-N167 PolarHBondContact O-ND2 3.48Å; F145-N167 HydrophobicContact CD2-CB 4.04Å; F145-N167 WeakPolarHBondContact CD2-OD1 3Å; F145-N167 HydrophobicContact CE2-CB 4.36Å; A161-N167 WeakPolarHBondContact CB-OD1 3.31Å; L164-N167 PolarHBondContact O-N 2.99Å; L164-N167 VanDerWaalsContact O-N 3.16Å; N167-R169 PolarHBondContact O-N 2.91Å; N167-I170 PolarHBondContact O-N 2.93Å; N167-L171 WeakPolarHBondContact O-CB 3.09Å; N167-L171 PolarHBondContact O-N 3.33Å |
| 168 | K | 90.2 | Very high | 92.8 | Very high | 137 Ų | 137 | 52.2 Ų | 52.2 | 60% | 0.596 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -57.9 | -45.7 | 170.2 | -77.6 | -163.4 | 171.8 | -156.3 | 0 | 112.8 | F140 L164 I166 L171 A172 | F140-K168 HydrophobicContact CE1-CG 4.39Å; F140-K168 HydrophobicContact CZ-CG 3.73Å; L164-K168 PolarHBondContact O-N 3.17Å; L164-K168 VanDerWaalsContact O-N 3.12Å; I166-K168 VanDerWaalsContact C-N 3.3Å; I166-K168 PolarHBondContact O-N 2.88Å; K168-L171 PolarHBondContact O-N 3.4Å; K168-A172 PolarHBondContact O-N 2.82Å |
| 169 | R | 92.7 | Very high | 92.4 | Very high | 144 Ų | 144 | 57.7 Ų | 57.7 | 54% | 0.543 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 179.3 | -162.3 | 178.4 | 77.3 | 178.7 | 3.1 | 112.5 | F96 R165 I166 N167 L173 | F96-R169 HydrophobicContact CE1-CB 4.19Å; F96-R169 HydrophobicContact CE1-CG 4.37Å; F96-R169 HydrophobicContact CZ-CB 4.26Å; F96-R169 HydrophobicContact CZ-CG 4.12Å; F96-R169 VanDerWaalsContact CZ-NE 3.33Å; R165-R169 PolarHBondContact O-N 3.33Å; I166-R169 PolarHBondContact O-N 3.34Å; N167-R169 PolarHBondContact O-N 2.91Å; R169-L173 HydrophobicContact CG-CD1 4.34Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.32Å |
| 170 | I | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -51.6 | 173.5 | -64 | 169.5 | 0 | 0 | 0 | 109.5 | F96 L108 V110 F145 F159 A161 I166 N167 A172 L173 C174 | F96-I170 HydrophobicContact CB-CD1 4.09Å; F96-I170 HydrophobicContact CB-CG1 4.35Å; F96-I170 HydrophobicContact CD1-CD1 4.02Å; F96-I170 HydrophobicContact CD1-CG1 3.64Å; F96-I170 HydrophobicContact CD2-CD1 4.38Å; F96-I170 HydrophobicContact CD2-CG1 3.74Å; F96-I170 HydrophobicContact CE1-CD1 4.44Å; F96-I170 HydrophobicContact CE1-CG1 3.6Å; F96-I170 HydrophobicContact CE2-CG1 3.75Å; F96-I170 HydrophobicContact CG-CD1 3.93Å; F96-I170 HydrophobicContact CG-CG1 3.66Å; F96-I170 HydrophobicContact CZ-CG1 3.65Å; L108-I170 HydrophobicContact CD2-CD1 4.23Å; L108-I170 HydrophobicContact CD2-CG2 3.96Å; V110-I170 HydrophobicContact CG2-CG2 4.4Å; F145-I170 HydrophobicContact CD2-CG2 4.46Å; F145-I170 HydrophobicContact CE1-CG2 3.93Å; F145-I170 HydrophobicContact CE2-CB 3.91Å; F145-I170 HydrophobicContact CE2-CG2 3.73Å; F145-I170 HydrophobicContact CZ-CB 4.07Å; F145-I170 HydrophobicContact CZ-CG2 3.42Å; F145-I170 VanDerWaalsContact CZ-CG2 3.42Å; F159-I170 HydrophobicContact CE2-CD1 4.06Å; F159-I170 HydrophobicContact CZ-CD1 4.42Å; F159-I170 HydrophobicContact CZ-CG2 4.37Å; A161-I170 HydrophobicContact CB-CD1 4.49Å; I166-I170 HydrophobicContact CG2-CD1 3.73Å; I166-I170 HydrophobicContact CG2-CG1 4.18Å; I166-I170 WeakPolarHBondContact O-CG1 3.36Å; I166-I170 PolarHBondContact O-N 3.37Å; N167-I170 PolarHBondContact O-N 2.93Å; I170-A172 PolarHBondContact O-N 3.5Å; I170-L173 PolarHBondContact O-N 2.81Å; I170-C174 WeakPolarHBondContact O-CB 3.35Å; I170-C174 PolarHBondContact O-N 3.38Å; I170-C174 PolarHBondContact O-SG 3.42Å |
| 171 | L | 92.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.9 | -50.8 | -178.8 | 178.3 | 64.8 | 0 | 0 | 0 | 112.1 | I138 F140 F145 N167 K168 L173 C174 M175 | I138-L171 HydrophobicContact CB-CD1 4.21Å; I138-L171 HydrophobicContact CG2-CD1 3.71Å; F140-L171 HydrophobicContact CD1-CB 4.19Å; F140-L171 HydrophobicContact CD1-CD2 4.17Å; F140-L171 HydrophobicContact CE1-CB 3.98Å; F140-L171 HydrophobicContact CE1-CD2 3.7Å; F140-L171 HydrophobicContact CE1-CG 4.46Å; F145-L171 HydrophobicContact CE2-CB 4.37Å; F145-L171 HydrophobicContact CZ-CB 4.4Å; N167-L171 WeakPolarHBondContact O-CB 3.09Å; N167-L171 PolarHBondContact O-N 3.33Å; K168-L171 PolarHBondContact O-N 3.4Å; L171-L173 PolarHBondContact O-N 3.15Å; L171-C174 PolarHBondContact O-N 3Å; L171-M175 HydrophobicContact CD1-CG 4.24Å; L171-M175 HydrophobicContact CD1-SD 4.04Å; L171-M175 HydrophobicContact CG-SD 3.97Å; L171-M175 WeakPolarHBondContact O-CB 3.33Å; L171-M175 WeakPolarHBondContact O-CG 3.49Å; L171-M175 PolarHBondContact O-N 3.12Å |
| 172 | A | 90 | Very high | 91.3 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K168 I170 G176 | K168-A172 PolarHBondContact O-N 2.82Å; I170-A172 PolarHBondContact O-N 3.5Å; A172-G176 PolarHBondContact O-N 2.87Å |
| 173 | L | 94.3 | Very high | 91 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 176.5 | -72.9 | 174.1 | 0 | 0 | 0 | 112.4 | N94 F96 V110 R169 I170 L171 M175 N177 | N94-L173 HydrophobicContact CB-CD1 3.74Å; F96-L173 HydrophobicContact CE2-CD1 3.84Å; F96-L173 HydrophobicContact CZ-CD1 3.74Å; V110-L173 HydrophobicContact CG1-CB 4.05Å; R169-L173 HydrophobicContact CG-CD1 4.34Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.32Å; I170-L173 PolarHBondContact O-N 2.81Å; L171-L173 PolarHBondContact O-N 3.15Å; L173-M175 VanDerWaalsContact C-N 3.34Å; L173-N177 VanDerWaalsContact O-CB 3.32Å; L173-N177 WeakPolarHBondContact O-CB 3.34Å; L173-N177 PolarHBondContact O-N 2.68Å; L173-N177 PolarHBondContact O-ND2 2.66Å |
| 174 | C | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.6 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | W132 I138 I170 L171 H178 | W132-C174 HydrophobicContact CH2-CB 3.63Å; W132-C174 HydrophobicContact CZ3-CB 4.05Å; I138-C174 HydrophobicContact CD1-CB 3.52Å; I170-C174 WeakPolarHBondContact O-CB 3.35Å; I170-C174 PolarHBondContact O-N 3.38Å; I170-C174 PolarHBondContact O-SG 3.42Å; L171-C174 PolarHBondContact O-N 3Å; C174-H178 WeakPolarHBondContact O-CB 3.48Å; C174-H178 PolarHBondContact O-N 3.09Å |
| 175 | M | 89.4 | Confident | 90.9 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -56.5 | 175.7 | -77.2 | 175.4 | 43.4 | 0 | 0 | 112.2 | L171 L173 N177 H178 E179 Y377 V379 L381 | L171-M175 HydrophobicContact CD1-CG 4.24Å; L171-M175 HydrophobicContact CD1-SD 4.04Å; L171-M175 HydrophobicContact CG-SD 3.97Å; L171-M175 WeakPolarHBondContact O-CB 3.33Å; L171-M175 WeakPolarHBondContact O-CG 3.49Å; L171-M175 PolarHBondContact O-N 3.12Å; L173-M175 VanDerWaalsContact C-N 3.34Å; M175-N177 VanDerWaalsContact C-N 3.33Å; M175-N177 PolarHBondContact O-N 3.12Å; M175-H178 PolarHBondContact O-N 2.66Å; M175-E179 WeakPolarHBondContact O-CB 3.34Å; M175-E179 PolarHBondContact O-N 2.73Å; M175-Y377 HydrophobicContact CE-CD1 3.47Å; M175-Y377 VanDerWaalsContact CE-CD1 3.47Å; M175-Y377 HydrophobicContact CE-CD2 3.96Å; M175-Y377 HydrophobicContact CE-CE1 4.13Å; M175-Y377 HydrophobicContact CE-CG 3.37Å; M175-Y377 HydrophobicContact SD-CG 4.09Å; M175-V379 HydrophobicContact CE-CB 4.18Å; M175-V379 HydrophobicContact CE-CG2 3.39Å; M175-V379 HydrophobicContact CG-CB 4.26Å; M175-V379 HydrophobicContact CG-CG2 4.46Å; M175-V379 HydrophobicContact SD-CB 4.02Å; M175-V379 HydrophobicContact SD-CG2 3.74Å; M175-L381 HydrophobicContact CG-CD2 4.26Å |
| 176 | G | 89.8 | Confident | 90.6 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -36.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A172 L180 | A172-G176 PolarHBondContact O-N 2.87Å; G176-L180 WeakPolarHBondContact O-CB 3.44Å; G176-L180 VanDerWaalsContact O-CG 3.26Å; G176-L180 WeakPolarHBondContact O-CG 3.45Å; G176-L180 PolarHBondContact O-N 2.84Å; G176-L180 VanDerWaalsContact O-N 3.11Å |
| 177 | N | 93.7 | Very high | 90.4 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 174.6 | -78.8 | -74.4 | 0 | 0 | 0 | 112.2 | D111 A112 W132 L173 M175 Y181 | D111-N177 WeakPolarHBondContact O-CB 3.49Å; A112-N177 WeakPolarHBondContact CA-OD1 3.23Å; A112-N177 PolarHBondContact N-OD1 3Å; W132-N177 HydrophobicContact CZ2-CB 3.81Å; L173-N177 VanDerWaalsContact O-CB 3.32Å; L173-N177 WeakPolarHBondContact O-CB 3.34Å; L173-N177 PolarHBondContact O-N 2.68Å; L173-N177 PolarHBondContact O-ND2 2.66Å; M175-N177 VanDerWaalsContact C-N 3.33Å; M175-N177 PolarHBondContact O-N 3.12Å; N177-Y181 WeakPolarHBondContact O-CB 3.25Å; N177-Y181 PolarHBondContact O-N 2.71Å |
| 178 | H | 91.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 175.8 | -179.9 | -75.4 | 0 | 0 | 0 | 112.1 | W132 C174 M175 L180 Y181 M182 L381 T382 | W132-H178 HydrophobicContact CD2-CB 4.1Å; W132-H178 HydrophobicContact CE3-CB 3.95Å; W132-H178 HydrophobicContact CG-CB 4.48Å; W132-H178 HydrophobicContact CZ3-CB 4.48Å; C174-H178 WeakPolarHBondContact O-CB 3.48Å; C174-H178 PolarHBondContact O-N 3.09Å; M175-H178 PolarHBondContact O-N 2.66Å; H178-L180 PolarHBondContact O-N 3.24Å; H178-Y181 WeakPolarHBondContact O-CB 3.19Å; H178-Y181 PolarHBondContact O-N 2.87Å; H178-M182 VanDerWaalsContact CE1-CG 3.43Å; H178-M182 WeakPolarHBondContact CE1-CG 3.32Å; H178-M182 VanDerWaalsContact NE2-CE 3.31Å; H178-M182 WeakPolarHBondContact NE2-CE 3.43Å; H178-M182 WeakPolarHBondContact O-CG 3.35Å; H178-M182 PolarHBondContact O-N 3.42Å; H178-L381 HydrophobicContact CB-CD1 4.49Å; H178-L381 HydrophobicContact CB-CD2 4.08Å; H178-L381 PolarHBondContact CE1-O 2.96Å; H178-T382 WeakPolarHBondContact NE2-CG2 3.18Å |
| 179 | E | 89 | Confident | 90.2 | Very high | 132 Ų | 132 | 55.9 Ų | 55.9 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57.8 | -49.9 | 177.6 | -172.2 | -170.8 | 153.9 | 0 | 0 | 111 | M175 Y181 M182 R183 | M175-E179 WeakPolarHBondContact O-CB 3.34Å; M175-E179 PolarHBondContact O-N 2.73Å; E179-Y181 VanDerWaalsContact C-N 3.34Å; E179-Y181 PolarHBondContact O-N 3.02Å; E179-M182 PolarHBondContact O-N 3.05Å; E179-R183 PolarHBondContact O-N 2.72Å |
| 180 | L | 90.5 | Very high | 90.1 | Very high | 78 Ų | 78 | 55 Ų | 55 | 41% | 0.408 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -33.9 | 176.5 | -66.6 | 173.8 | 0 | 0 | 0 | 112.4 | G176 H178 M182 R183 R184 | G176-L180 WeakPolarHBondContact O-CB 3.44Å; G176-L180 VanDerWaalsContact O-CG 3.26Å; G176-L180 WeakPolarHBondContact O-CG 3.45Å; G176-L180 PolarHBondContact O-N 2.84Å; G176-L180 VanDerWaalsContact O-N 3.11Å; H178-L180 PolarHBondContact O-N 3.24Å; L180-M182 VanDerWaalsContact C-N 3.31Å; L180-M182 PolarHBondContact O-N 2.83Å; L180-R183 PolarHBondContact O-N 3.45Å; L180-R184 WeakPolarHBondContact O-CB 3.32Å; L180-R184 VanDerWaalsContact O-CD 3.3Å; L180-R184 WeakPolarHBondContact O-CD 3.31Å; L180-R184 WeakPolarHBondContact O-CG 3.25Å; L180-R184 PolarHBondContact O-N 2.72Å |
| 181 | Y | 92.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 173.8 | 176 | -86.3 | 0 | 0 | 0 | 112.1 | W132 S133 N177 H178 E179 R185 E393 | W132-Y181 HydrophobicContact CB-CD1 3.4Å; W132-Y181 VanDerWaalsContact CB-CD1 3.4Å; W132-Y181 HydrophobicContact CB-CD2 3.91Å; W132-Y181 HydrophobicContact CB-CE1 3.57Å; W132-Y181 HydrophobicContact CB-CE2 4.05Å; W132-Y181 HydrophobicContact CB-CG 3.57Å; W132-Y181 AromaticContact CD1-CD2 3.6Å; W132-Y181 AromaticContact CD1-CG 3.72Å; W132-Y181 HydrophobicContact CG-CD1 4.3Å; W132-Y181 HydrophobicContact CG-CD2 4.16Å; W132-Y181 AromaticContact CG-CG 3.99Å; W132-Y181 HydrophobicContact CG-CG 3.99Å; S133-Y181 PolarHBondContact OG-OH 3.03Å; N177-Y181 WeakPolarHBondContact O-CB 3.25Å; N177-Y181 PolarHBondContact O-N 2.71Å; H178-Y181 WeakPolarHBondContact O-CB 3.19Å; H178-Y181 PolarHBondContact O-N 2.87Å; E179-Y181 VanDerWaalsContact C-N 3.34Å; E179-Y181 PolarHBondContact O-N 3.02Å; Y181-R185 VanDerWaalsContact CE2-CZ 3.5Å; Y181-R185 VanDerWaalsContact CZ-NH2 3.34Å; Y181-R185 VanDerWaalsContact O-CD 3.29Å; Y181-R185 WeakPolarHBondContact O-CD 3.27Å; Y181-R185 WeakPolarHBondContact O-CG 3.34Å; Y181-R185 PolarHBondContact O-NH1 3.38Å; Y181-R185 PolarHBondContact OH-NH2 3.35Å; Y181-R185 VanDerWaalsContact OH-NH2 3.16Å; Y181-E393 VanDerWaalsContact CE2-OE1 3.23Å; Y181-E393 WeakPolarHBondContact CE2-OE1 3.48Å; Y181-E393 PolarHBondContact OH-OE1 3.23Å |
| 182 | M | 88.3 | Confident | 89.7 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -79.2 | -35.3 | 175.1 | -66.2 | -55 | 176.2 | 0 | 0 | 112.8 | H178 E179 L180 R184 R185 K186 T382 Y386 V389 | H178-M182 VanDerWaalsContact CE1-CG 3.43Å; H178-M182 WeakPolarHBondContact CE1-CG 3.32Å; H178-M182 VanDerWaalsContact NE2-CE 3.31Å; H178-M182 WeakPolarHBondContact NE2-CE 3.43Å; H178-M182 WeakPolarHBondContact O-CG 3.35Å; H178-M182 PolarHBondContact O-N 3.42Å; E179-M182 PolarHBondContact O-N 3.05Å; L180-M182 VanDerWaalsContact C-N 3.31Å; L180-M182 PolarHBondContact O-N 2.83Å; M182-R184 VanDerWaalsContact C-N 3.32Å; M182-R184 PolarHBondContact O-N 3.31Å; M182-R185 WeakPolarHBondContact O-CB 3.31Å; M182-R185 PolarHBondContact O-N 2.95Å; M182-R185 VanDerWaalsContact O-N 3.09Å; M182-K186 PolarHBondContact O-N 3.21Å; M182-T382 HydrophobicContact CE-CG2 3.77Å; M182-Y386 HydrophobicContact CB-CD1 4.36Å; M182-Y386 HydrophobicContact CB-CE1 3.84Å; M182-Y386 HydrophobicContact CG-CD1 4.09Å; M182-Y386 HydrophobicContact CG-CE1 4.02Å; M182-Y386 HydrophobicContact SD-CD1 3.57Å; M182-Y386 VanDerWaalsContact SD-CD1 3.57Å; M182-Y386 HydrophobicContact SD-CE1 4.06Å; M182-Y386 HydrophobicContact SD-CG 4.14Å; M182-V389 HydrophobicContact SD-CG2 4.31Å |
| 183 | R | 87.4 | Confident | 89.8 | Confident | 126 Ų | 126 | 63.8 Ų | 63.8 | 48% | 0.475 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 172.3 | -172.8 | 174.6 | 179.7 | 166.6 | 2.9 | 111.1 | E179 L180 R185 K186 T189 | E179-R183 PolarHBondContact O-N 2.72Å; L180-R183 PolarHBondContact O-N 3.45Å; R183-R185 PolarHBondContact O-N 2.99Å; R183-K186 PolarHBondContact O-N 3.38Å; R183-T189 PolarHBondContact NH2-OG1 2.85Å |
| 184 | R | 88.9 | Confident | 89.8 | Confident | 114 Ų | 114 | 67.5 Ų | 67.5 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -0.7 | 174.8 | -68.3 | 163.9 | -166.7 | 134.7 | 0 | 115 | L180 M182 | L180-R184 WeakPolarHBondContact O-CB 3.32Å; L180-R184 VanDerWaalsContact O-CD 3.3Å; L180-R184 WeakPolarHBondContact O-CD 3.31Å; L180-R184 WeakPolarHBondContact O-CG 3.25Å; L180-R184 PolarHBondContact O-N 2.72Å; M182-R184 VanDerWaalsContact C-N 3.32Å; M182-R184 PolarHBondContact O-N 3.31Å |
| 185 | R | 86.7 | Confident | 89.7 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -12.5 | -179.1 | -73.2 | 167.1 | 156.4 | 65.2 | 16 | 113.9 | Y181 M182 R183 V389 P390 E393 | Y181-R185 VanDerWaalsContact CE2-CZ 3.5Å; Y181-R185 VanDerWaalsContact CZ-NH2 3.34Å; Y181-R185 VanDerWaalsContact O-CD 3.29Å; Y181-R185 WeakPolarHBondContact O-CD 3.27Å; Y181-R185 WeakPolarHBondContact O-CG 3.34Å; Y181-R185 PolarHBondContact O-NH1 3.38Å; Y181-R185 PolarHBondContact OH-NH2 3.35Å; Y181-R185 VanDerWaalsContact OH-NH2 3.16Å; M182-R185 WeakPolarHBondContact O-CB 3.31Å; M182-R185 PolarHBondContact O-N 2.95Å; M182-R185 VanDerWaalsContact O-N 3.09Å; R183-R185 PolarHBondContact O-N 2.99Å; R185-V389 HydrophobicContact CB-CB 4.28Å; R185-V389 HydrophobicContact CB-CG1 3.92Å; R185-V389 HydrophobicContact CG-CB 4.39Å; R185-P390 VanDerWaalsContact CZ-O 3.24Å; R185-P390 PolarHBondContact NE-O 3.15Å; R185-P390 PolarHBondContact NH2-O 3.41Å; R185-E393 IonicContact CZ-OE2 3.62Å; R185-E393 VanDerWaalsContact NH2-CD 3.28Å; R185-E393 IonicContact NH2-OE1 3.46Å; R185-E393 PolarHBondContact NH2-OE1 2.88Å; R185-E393 VanDerWaalsContact NH2-OE1 3.08Å; R185-E393 IonicContact NH2-OE2 3.61Å; R185-E393 PolarHBondContact NH2-OE2 3.27Å |
| 186 | K | 85.2 | Confident | 89.9 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -90.5 | 158.4 | 168.3 | -57.2 | -166.2 | -177.7 | -164.5 | 0 | 108.2 | M182 R183 E385 Y386 | M182-K186 PolarHBondContact O-N 3.21Å; R183-K186 PolarHBondContact O-N 3.38Å; K186-E385 IonicContact NZ-OE2 2.64Å; K186-Y386 WeakPolarHBondContact CE-OH 3.49Å; K186-Y386 PolarHBondContact NZ-OH 3.31Å |
| 187 | P | 86.3 | Confident | 90.1 | Very high | 119 Ų | 119 | 79.7 Ų | 79.7 | 77% | 0.773 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 148 | 166.8 | -24.3 | 34.9 | 0 | 0 | 0 | 111 | ||
| 188 | D | 86.5 | Confident | 90.1 | Very high | 64 Ų | 64 | 82.5 Ų | 82.5 | 34% | 0.342 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 139.9 | 177.2 | -76.5 | -38.3 | 0 | 0 | 0 | 111.1 | V192 Q193 R196 | D188-V192 HydrophobicContact CB-CB 4.09Å; D188-V192 HydrophobicContact CB-CG1 3.82Å; D188-V192 WeakPolarHBondContact OD1-CG1 3.46Å; D188-Q193 HydrophobicContact CB-CG 3.81Å; D188-Q193 PolarHBondContact O-NE2 2.88Å; D188-R196 IonicContact OD1-CZ 3.86Å; D188-R196 IonicContact OD1-NE 2.69Å; D188-R196 IonicContact OD1-NH2 2.83Å; D188-R196 PolarHBondContact OD1-NH2 3.17Å; D188-R196 VanDerWaalsContact OD1-NH2 3.14Å; D188-R196 IonicContact OD2-CZ 2.81Å; D188-R196 IonicContact OD2-NE 3.75Å; D188-R196 PolarHBondContact OD2-NE 3.1Å; D188-R196 IonicContact OD2-NH2 3.89Å; D188-R196 PolarHBondContact OD2-NH2 2.67Å |
| 189 | T | 89.2 | Confident | 90.2 | Very high | 58 Ų | 58 | 85.1 Ų | 85.1 | 36% | 0.356 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 156.7 | 174 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | R183 E191 V192 Q193 | R183-T189 PolarHBondContact NH2-OG1 2.85Å; T189-E191 PolarHBondContact O-N 3.4Å; T189-E191 PolarHBondContact OG1-OE2 3.24Å; T189-V192 WeakPolarHBondContact O-CA 3.35Å; T189-V192 PolarHBondContact O-N 2.91Å; T189-V192 WeakPolarHBondContact OG1-CG2 3.39Å; T189-Q193 WeakPolarHBondContact O-CG 3.43Å; T189-Q193 PolarHBondContact O-N 2.81Å |
| 190 | I | 90.8 | Very high | 90.3 | Very high | 127 Ų | 127 | 86 Ų | 86 | 65% | 0.651 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -52.2 | -44.5 | -178.9 | -62.7 | 172.6 | 0 | 0 | 0 | 110.7 | V192 Q193 Q194 | I190-V192 PolarHBondContact O-N 2.82Å; I190-Q193 WeakPolarHBondContact O-CB 3.36Å; I190-Q193 PolarHBondContact O-N 2.73Å; I190-Q193 VanDerWaalsContact O-N 3.16Å; I190-Q194 HydrophobicContact CG2-CG 4.47Å; I190-Q194 WeakPolarHBondContact O-CG 3.5Å; I190-Q194 PolarHBondContact O-N 3.11Å |
| 191 | E | 90.5 | Very high | 90.5 | Very high | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -53.5 | -49.1 | 173.3 | -53.3 | 156.7 | 153.4 | 0 | 0 | 112.1 | T189 Q193 Q194 M195 | T189-E191 PolarHBondContact O-N 3.4Å; T189-E191 PolarHBondContact OG1-OE2 3.24Å; E191-Q193 VanDerWaalsContact C-N 3.33Å; E191-Q193 PolarHBondContact O-N 3.27Å; E191-Q194 PolarHBondContact O-N 2.88Å; E191-M195 WeakPolarHBondContact O-CB 3.39Å; E191-M195 VanDerWaalsContact O-CG 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.39Å; E191-M195 PolarHBondContact O-N 3.3Å |
| 192 | V | 88.7 | Confident | 90.5 | Very high | 31 Ų | 31 | 91.6 Ų | 91.6 | 19% | 0.188 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.6 | -34.3 | -179.7 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | D188 T189 I190 R196 | D188-V192 HydrophobicContact CB-CB 4.09Å; D188-V192 HydrophobicContact CB-CG1 3.82Å; D188-V192 WeakPolarHBondContact OD1-CG1 3.46Å; T189-V192 WeakPolarHBondContact O-CA 3.35Å; T189-V192 PolarHBondContact O-N 2.91Å; T189-V192 WeakPolarHBondContact OG1-CG2 3.39Å; I190-V192 PolarHBondContact O-N 2.82Å; V192-R196 HydrophobicContact CG1-CG 4.44Å; V192-R196 VanDerWaalsContact O-CB 3.28Å; V192-R196 WeakPolarHBondContact O-CB 3.29Å; V192-R196 VanDerWaalsContact O-CG 3.22Å; V192-R196 WeakPolarHBondContact O-CG 3.23Å; V192-R196 PolarHBondContact O-N 3.12Å |
| 193 | Q | 92.2 | Very high | 90.5 | Very high | 106 Ų | 106 | 96.5 Ų | 96.5 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 173.4 | -63.9 | -177.2 | 36.5 | 0 | 0 | 111.6 | D188 T189 I190 E191 R196 A197 | D188-Q193 HydrophobicContact CB-CG 3.81Å; D188-Q193 PolarHBondContact O-NE2 2.88Å; T189-Q193 WeakPolarHBondContact O-CG 3.43Å; T189-Q193 PolarHBondContact O-N 2.81Å; I190-Q193 WeakPolarHBondContact O-CB 3.36Å; I190-Q193 PolarHBondContact O-N 2.73Å; I190-Q193 VanDerWaalsContact O-N 3.16Å; E191-Q193 VanDerWaalsContact C-N 3.33Å; E191-Q193 PolarHBondContact O-N 3.27Å; Q193-R196 PolarHBondContact O-N 2.98Å; Q193-A197 PolarHBondContact O-N 3.08Å |
| 194 | Q | 93.9 | Very high | 90.7 | Very high | 123 Ų | 123 | 97.1 Ų | 97.1 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.3 | -50.4 | 174.8 | -72.5 | 170.4 | -43.9 | 0 | 0 | 111.7 | I190 E191 R196 A197 Q198 | I190-Q194 HydrophobicContact CG2-CG 4.47Å; I190-Q194 WeakPolarHBondContact O-CG 3.5Å; I190-Q194 PolarHBondContact O-N 3.11Å; E191-Q194 PolarHBondContact O-N 2.88Å; Q194-R196 VanDerWaalsContact C-N 3.27Å; Q194-R196 PolarHBondContact O-N 2.85Å; Q194-A197 WeakPolarHBondContact O-CA 3.37Å; Q194-A197 WeakPolarHBondContact O-CB 3.21Å; Q194-A197 PolarHBondContact O-N 3.16Å; Q194-Q198 PolarHBondContact O-N 3.3Å |
| 195 | M | 93.6 | Very high | 90.9 | Very high | 126 Ų | 126 | 96.5 Ų | 96.5 | 62% | 0.621 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57 | -39.5 | 174.5 | -69.2 | 177.3 | 80.5 | 0 | 0 | 111.9 | E191 A197 A199 | E191-M195 WeakPolarHBondContact O-CB 3.39Å; E191-M195 VanDerWaalsContact O-CG 3.27Å; E191-M195 WeakPolarHBondContact O-CG 3.39Å; E191-M195 PolarHBondContact O-N 3.3Å; M195-A197 VanDerWaalsContact C-N 3.3Å; M195-A197 PolarHBondContact O-N 3.49Å; M195-A199 WeakPolarHBondContact O-CB 3.22Å; M195-A199 PolarHBondContact O-N 2.91Å |
| 196 | R | 92.8 | Very high | 90.9 | Very high | 129 Ų | 129 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.8 | -22.9 | 173.2 | -76.2 | -173.7 | -160.1 | -95.9 | 16.5 | 113.3 | D188 V192 Q193 Q194 R200 | D188-R196 IonicContact OD1-CZ 3.86Å; D188-R196 IonicContact OD1-NE 2.69Å; D188-R196 IonicContact OD1-NH2 2.83Å; D188-R196 PolarHBondContact OD1-NH2 3.17Å; D188-R196 VanDerWaalsContact OD1-NH2 3.14Å; D188-R196 IonicContact OD2-CZ 2.81Å; D188-R196 IonicContact OD2-NE 3.75Å; D188-R196 PolarHBondContact OD2-NE 3.1Å; D188-R196 IonicContact OD2-NH2 3.89Å; D188-R196 PolarHBondContact OD2-NH2 2.67Å; V192-R196 HydrophobicContact CG1-CG 4.44Å; V192-R196 VanDerWaalsContact O-CB 3.28Å; V192-R196 WeakPolarHBondContact O-CB 3.29Å; V192-R196 VanDerWaalsContact O-CG 3.22Å; V192-R196 WeakPolarHBondContact O-CG 3.23Å; V192-R196 PolarHBondContact O-N 3.12Å; Q193-R196 PolarHBondContact O-N 2.98Å; Q194-R196 VanDerWaalsContact C-N 3.27Å; Q194-R196 PolarHBondContact O-N 2.85Å; R196-R200 WeakPolarHBondContact O-CG 3.42Å; R196-R200 PolarHBondContact O-NE 2.93Å; R196-R200 PolarHBondContact O-NH2 3.31Å |
| 197 | A | 94.4 | Very high | 91.1 | Very high | 48 Ų | 48 | 97.4 Ų | 97.4 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -77.2 | -54.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q193 Q194 M195 A199 R200 E201 | Q193-A197 PolarHBondContact O-N 3.08Å; Q194-A197 WeakPolarHBondContact O-CA 3.37Å; Q194-A197 WeakPolarHBondContact O-CB 3.21Å; Q194-A197 PolarHBondContact O-N 3.16Å; M195-A197 VanDerWaalsContact C-N 3.3Å; M195-A197 PolarHBondContact O-N 3.49Å; A197-A199 PolarHBondContact O-N 3.14Å; A197-R200 WeakPolarHBondContact O-CA 3.5Å; A197-R200 WeakPolarHBondContact O-CB 3.36Å; A197-R200 PolarHBondContact O-N 3.08Å; A197-E201 PolarHBondContact O-N 2.94Å |
| 198 | Q | 94.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 94.3 Ų | 94.3 | 40% | 0.397 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -52 | -51.7 | 175 | -177.4 | 168.8 | 24.4 | 0 | 0 | 112.1 | Q194 R200 E201 E202 E367 | Q194-Q198 PolarHBondContact O-N 3.3Å; Q198-R200 PolarHBondContact O-N 2.87Å; Q198-R200 VanDerWaalsContact O-N 3.13Å; Q198-E201 PolarHBondContact O-N 2.89Å; Q198-E202 PolarHBondContact O-N 3.12Å; Q198-E367 PolarHBondContact NE2-OE2 3.41Å |
| 199 | A | 91.8 | Very high | 91.3 | Very high | 59 Ų | 59 | 97.8 Ų | 97.8 | 49% | 0.488 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.4 | -13.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M195 A197 R203 | M195-A199 WeakPolarHBondContact O-CB 3.22Å; M195-A199 PolarHBondContact O-N 2.91Å; A197-A199 PolarHBondContact O-N 3.14Å; A199-R203 WeakPolarHBondContact O-CB 3.38Å |
| 200 | R | 92.5 | Very high | 91.1 | Very high | 152 Ų | 152 | 98.1 Ų | 98.1 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -87 | -38 | 168.7 | -85.8 | -179.8 | -74.4 | -173.6 | -0.4 | 111.4 | R196 A197 Q198 R203 Q204 | R196-R200 WeakPolarHBondContact O-CG 3.42Å; R196-R200 PolarHBondContact O-NE 2.93Å; R196-R200 PolarHBondContact O-NH2 3.31Å; A197-R200 WeakPolarHBondContact O-CA 3.5Å; A197-R200 WeakPolarHBondContact O-CB 3.36Å; A197-R200 PolarHBondContact O-N 3.08Å; Q198-R200 PolarHBondContact O-N 2.87Å; Q198-R200 VanDerWaalsContact O-N 3.13Å; R200-R203 PolarHBondContact O-N 2.87Å; R200-Q204 WeakPolarHBondContact O-CG 3.37Å; R200-Q204 PolarHBondContact O-N 2.74Å |
| 201 | E | 93.3 | Very high | 90.9 | Very high | 118 Ų | 118 | 95.9 Ų | 95.9 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.7 | -51 | 176.9 | -175.3 | 166.4 | -174.1 | 0 | 0 | 111.8 | A197 Q198 R203 Q204 Q205 | A197-E201 PolarHBondContact O-N 2.94Å; Q198-E201 PolarHBondContact O-N 2.89Å; E201-R203 PolarHBondContact O-N 3.21Å; E201-Q204 WeakPolarHBondContact O-CA 3.08Å; E201-Q204 WeakPolarHBondContact O-CB 3.26Å; E201-Q204 PolarHBondContact O-N 3.14Å; E201-Q205 WeakPolarHBondContact O-CG 3.43Å; E201-Q205 PolarHBondContact O-N 2.82Å |
| 202 | E | 92.1 | Very high | 90.8 | Very high | 79 Ų | 79 | 96.9 Ų | 96.9 | 37% | 0.369 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -53.5 | -39.5 | 172.1 | -74.2 | -178.4 | -142.6 | 0 | 0 | 112.2 | Q198 K206 | Q198-E202 PolarHBondContact O-N 3.12Å; E202-K206 WeakPolarHBondContact O-CB 3.44Å; E202-K206 VanDerWaalsContact O-CG 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 2.72Å; E202-K206 IonicContact OE2-NZ 3.59Å; E202-K206 PolarHBondContact OE2-NZ 3.43Å |
| 203 | R | 89.6 | Confident | 90.6 | Very high | 108 Ų | 108 | 100.1 Ų | 100.1 | 41% | 0.408 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 178 | -179.1 | 175 | 169.2 | 126.2 | 8 | 111.2 | D76 A199 R200 E201 V207 | D76-R203 IonicContact OD1-CZ 3.39Å; D76-R203 VanDerWaalsContact OD1-CZ 3.23Å; D76-R203 IonicContact OD1-NH1 3.73Å; D76-R203 PolarHBondContact OD1-NH1 3.48Å; D76-R203 IonicContact OD1-NH2 2.74Å; D76-R203 PolarHBondContact OD1-NH2 2.9Å; D76-R203 IonicContact OD2-CZ 3.66Å; D76-R203 IonicContact OD2-NH1 3.49Å; D76-R203 IonicContact OD2-NH2 2.91Å; D76-R203 PolarHBondContact OD2-NH2 3.27Å; A199-R203 WeakPolarHBondContact O-CB 3.38Å; R200-R203 PolarHBondContact O-N 2.87Å; E201-R203 PolarHBondContact O-N 3.21Å; R203-V207 VanDerWaalsContact O-CG2 3.24Å; R203-V207 WeakPolarHBondContact O-CG2 3.34Å; R203-V207 PolarHBondContact O-N 2.97Å |
| 204 | Q | 91.5 | Very high | 90.2 | Very high | 139 Ų | 139 | 99.1 Ų | 99.1 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 174.2 | -76.8 | 173.6 | -13.2 | 0 | 0 | 111.6 | R200 E201 V207 A208 | R200-Q204 WeakPolarHBondContact O-CG 3.37Å; R200-Q204 PolarHBondContact O-N 2.74Å; E201-Q204 WeakPolarHBondContact O-CA 3.08Å; E201-Q204 WeakPolarHBondContact O-CB 3.26Å; E201-Q204 PolarHBondContact O-N 3.14Å; Q204-V207 PolarHBondContact O-N 2.65Å; Q204-A208 WeakPolarHBondContact O-CB 3.43Å; Q204-A208 PolarHBondContact O-N 3.33Å |
| 205 | Q | 92.1 | Very high | 89.6 | Confident | 102 Ų | 102 | 100.5 Ų | 100.5 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.7 | -52.1 | 173.3 | -68.8 | 167.7 | -2.2 | 0 | 0 | 111 | E201 V207 A208 E209 | E201-Q205 WeakPolarHBondContact O-CG 3.43Å; E201-Q205 PolarHBondContact O-N 2.82Å; Q205-V207 VanDerWaalsContact C-N 3.31Å; Q205-V207 PolarHBondContact O-N 2.72Å; Q205-A208 PolarHBondContact O-N 3.19Å; Q205-A208 VanDerWaalsContact O-N 3.13Å; Q205-E209 WeakPolarHBondContact O-CB 3.49Å; Q205-E209 PolarHBondContact O-N 3.44Å |
| 206 | K | 88.2 | Confident | 89 | Confident | 102 Ų | 102 | 100.1 Ų | 100.1 | 44% | 0.443 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 177.2 | -71.6 | 166.8 | -174.7 | 164 | 0 | 113.5 | E202 R210 | E202-K206 WeakPolarHBondContact O-CB 3.44Å; E202-K206 VanDerWaalsContact O-CG 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 2.72Å; E202-K206 IonicContact OE2-NZ 3.59Å; E202-K206 PolarHBondContact OE2-NZ 3.43Å; K206-R210 VanDerWaalsContact O-CB 3.32Å; K206-R210 WeakPolarHBondContact O-CB 3.23Å; K206-R210 PolarHBondContact O-N 2.78Å; K206-R210 VanDerWaalsContact O-N 3.08Å |
| 207 | V | 87.9 | Confident | 88.5 | Confident | 48 Ų | 48 | 97.9 Ų | 97.9 | 29% | 0.291 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -50.4 | 171.6 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | M73 R203 Q204 Q205 E209 R210 E211 | M73-V207 HydrophobicContact CE-CB 4.22Å; M73-V207 HydrophobicContact CE-CG2 3.51Å; M73-V207 HydrophobicContact SD-CG2 4.02Å; R203-V207 VanDerWaalsContact O-CG2 3.24Å; R203-V207 WeakPolarHBondContact O-CG2 3.34Å; R203-V207 PolarHBondContact O-N 2.97Å; Q204-V207 PolarHBondContact O-N 2.65Å; Q205-V207 VanDerWaalsContact C-N 3.31Å; Q205-V207 PolarHBondContact O-N 2.72Å; V207-E209 PolarHBondContact O-N 2.69Å; V207-R210 PolarHBondContact O-N 2.87Å; V207-E211 HydrophobicContact CG1-CG 4.37Å; V207-E211 WeakPolarHBondContact O-CB 3.31Å; V207-E211 WeakPolarHBondContact O-CG 3.36Å; V207-E211 PolarHBondContact O-N 2.78Å |
| 208 | A | 90.4 | Very high | 88 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 44% | 0.438 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q204 Q205 R212 | Q204-A208 WeakPolarHBondContact O-CB 3.43Å; Q204-A208 PolarHBondContact O-N 3.33Å; Q205-A208 PolarHBondContact O-N 3.19Å; Q205-A208 VanDerWaalsContact O-N 3.13Å; A208-R212 WeakPolarHBondContact O-CB 3.46Å; A208-R212 PolarHBondContact O-N 2.81Å |
| 209 | E | 88.1 | Confident | 87.4 | Confident | 137 Ų | 137 | 97 Ų | 97 | 64% | 0.64 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.6 | -50.5 | 173.4 | -171.8 | -167.6 | -176.6 | 0 | 0 | 111.2 | Q205 V207 E211 R212 L213 | Q205-E209 WeakPolarHBondContact O-CB 3.49Å; Q205-E209 PolarHBondContact O-N 3.44Å; V207-E209 PolarHBondContact O-N 2.69Å; E209-E211 VanDerWaalsContact C-N 3.34Å; E209-E211 PolarHBondContact O-N 3.41Å; E209-R212 WeakPolarHBondContact O-CB 3.35Å; E209-R212 PolarHBondContact O-N 3.09Å; E209-R212 VanDerWaalsContact O-N 3.16Å; E209-L213 PolarHBondContact O-N 2.79Å |
| 210 | R | 83.9 | Confident | 86.8 | Confident | 66 Ų | 66 | 102.2 Ų | 102.2 | 25% | 0.249 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.5 | -172 | 179.8 | -178.8 | -152.5 | 2.9 | 111.9 | D26 C71 M73 K206 V207 L213 Q214 | D26-R210 IonicContact OD1-NH2 2.89Å; C71-R210 PolarHBondContact O-NH1 2.68Å; C71-R210 PolarHBondContact O-NH2 3.47Å; M73-R210 HydrophobicContact CE-CB 4.36Å; K206-R210 VanDerWaalsContact O-CB 3.32Å; K206-R210 WeakPolarHBondContact O-CB 3.23Å; K206-R210 PolarHBondContact O-N 2.78Å; K206-R210 VanDerWaalsContact O-N 3.08Å; V207-R210 PolarHBondContact O-N 2.87Å; R210-L213 PolarHBondContact O-N 3.27Å; R210-Q214 WeakPolarHBondContact O-CB 3.26Å; R210-Q214 WeakPolarHBondContact O-CG 3.42Å; R210-Q214 PolarHBondContact O-N 3.2Å |
| 211 | E | 87.3 | Confident | 86.3 | Confident | 80 Ų | 80 | 99.3 Ų | 99.3 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 174 | -72.8 | -172.3 | 177.1 | 0 | 0 | 112.1 | V207 E209 Q214 R215 | V207-E211 HydrophobicContact CG1-CG 4.37Å; V207-E211 WeakPolarHBondContact O-CB 3.31Å; V207-E211 WeakPolarHBondContact O-CG 3.36Å; V207-E211 PolarHBondContact O-N 2.78Å; E209-E211 VanDerWaalsContact C-N 3.34Å; E209-E211 PolarHBondContact O-N 3.41Å; E211-Q214 PolarHBondContact O-N 2.96Å; E211-R215 VanDerWaalsContact CB-NH1 3.3Å; E211-R215 WeakPolarHBondContact O-CB 3.33Å; E211-R215 WeakPolarHBondContact O-CG 3.37Å; E211-R215 PolarHBondContact O-N 3.14Å; E211-R215 IonicContact OE2-CZ 3.13Å; E211-R215 VanDerWaalsContact OE2-CZ 3.24Å; E211-R215 IonicContact OE2-NH1 2.73Å; E211-R215 PolarHBondContact OE2-NH1 3.32Å; E211-R215 IonicContact OE2-NH2 2.7Å; E211-R215 PolarHBondContact OE2-NH2 3Å |
| 212 | R | 88.5 | Confident | 85.7 | Confident | 144 Ų | 144 | 96 Ų | 96 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 174.2 | 175.6 | -178.1 | 170.3 | -179.3 | -2.6 | 110.4 | A208 E209 Q214 R215 E216 | A208-R212 WeakPolarHBondContact O-CB 3.46Å; A208-R212 PolarHBondContact O-N 2.81Å; E209-R212 WeakPolarHBondContact O-CB 3.35Å; E209-R212 PolarHBondContact O-N 3.09Å; E209-R212 VanDerWaalsContact O-N 3.16Å; R212-Q214 PolarHBondContact O-N 3.49Å; R212-R215 PolarHBondContact O-N 3Å; R212-E216 WeakPolarHBondContact O-CB 3.49Å; R212-E216 PolarHBondContact O-N 2.95Å |
| 213 | L | 84.4 | Confident | 85.2 | Confident | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.7 | -178.6 | 61.1 | 0 | 0 | 0 | 111.9 | E209 R210 E216 I217 | E209-L213 PolarHBondContact O-N 2.79Å; R210-L213 PolarHBondContact O-N 3.27Å; L213-E216 PolarHBondContact O-N 3.04Å; L213-I217 HydrophobicContact CD1-CD1 4.12Å; L213-I217 HydrophobicContact CD1-CG1 4.36Å; L213-I217 HydrophobicContact CG-CD1 3.96Å; L213-I217 VanDerWaalsContact O-CG1 3.3Å; L213-I217 WeakPolarHBondContact O-CG1 3.41Å; L213-I217 PolarHBondContact O-N 3.39Å |
| 214 | Q | 82.8 | Confident | 84.8 | Confident | 85 Ų | 85 | 94.2 Ų | 94.2 | 40% | 0.397 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175.4 | -77.3 | -176.3 | -34 | 0 | 0 | 112.6 | R210 E211 R212 E216 A218 | R210-Q214 WeakPolarHBondContact O-CB 3.26Å; R210-Q214 WeakPolarHBondContact O-CG 3.42Å; R210-Q214 PolarHBondContact O-N 3.2Å; E211-Q214 PolarHBondContact O-N 2.96Å; R212-Q214 PolarHBondContact O-N 3.49Å; Q214-E216 VanDerWaalsContact C-N 3.33Å; Q214-A218 VanDerWaalsContact O-CB 3.25Å; Q214-A218 WeakPolarHBondContact O-CB 3.4Å; Q214-A218 PolarHBondContact O-N 3.4Å |
| 215 | R | 82.9 | Confident | 84.4 | Confident | 152 Ų | 152 | 95.7 Ų | 95.7 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 172.1 | -73.1 | 169.5 | -173.7 | 119.3 | 8.5 | 111.6 | E211 R212 A219 | E211-R215 VanDerWaalsContact CB-NH1 3.3Å; E211-R215 WeakPolarHBondContact O-CB 3.33Å; E211-R215 WeakPolarHBondContact O-CG 3.37Å; E211-R215 PolarHBondContact O-N 3.14Å; E211-R215 IonicContact OE2-CZ 3.13Å; E211-R215 VanDerWaalsContact OE2-CZ 3.24Å; E211-R215 IonicContact OE2-NH1 2.73Å; E211-R215 PolarHBondContact OE2-NH1 3.32Å; E211-R215 IonicContact OE2-NH2 2.7Å; E211-R215 PolarHBondContact OE2-NH2 3Å; R212-R215 PolarHBondContact O-N 3Å; R215-A219 WeakPolarHBondContact O-CB 3.32Å; R215-A219 PolarHBondContact O-N 3.11Å |
| 216 | E | 80.7 | Confident | 83.9 | Confident | 118 Ų | 118 | 96.7 Ų | 96.7 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.1 | -44.5 | 179.2 | -166.7 | 168.7 | 152.4 | 0 | 0 | 111.9 | R212 L213 Q214 A219 R220 | R212-E216 WeakPolarHBondContact O-CB 3.49Å; R212-E216 PolarHBondContact O-N 2.95Å; L213-E216 PolarHBondContact O-N 3.04Å; Q214-E216 VanDerWaalsContact C-N 3.33Å; E216-A219 PolarHBondContact O-N 3.47Å; E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 PolarHBondContact O-N 2.83Å |
| 217 | I | 80.6 | Confident | 83.4 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 172.7 | -67.3 | 165.4 | 0 | 0 | 0 | 110.6 | L213 A219 R220 E221 | L213-I217 HydrophobicContact CD1-CD1 4.12Å; L213-I217 HydrophobicContact CD1-CG1 4.36Å; L213-I217 HydrophobicContact CG-CD1 3.96Å; L213-I217 VanDerWaalsContact O-CG1 3.3Å; L213-I217 WeakPolarHBondContact O-CG1 3.41Å; L213-I217 PolarHBondContact O-N 3.39Å; I217-A219 VanDerWaalsContact C-N 3.34Å; I217-A219 PolarHBondContact O-N 3.24Å; I217-R220 WeakPolarHBondContact O-CB 3.21Å; I217-R220 PolarHBondContact O-N 2.93Å; I217-R220 VanDerWaalsContact O-N 3.15Å; I217-E221 PolarHBondContact O-N 3.45Å |
| 218 | A | 84 | Confident | 83.2 | Confident | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q214 A222 | Q214-A218 VanDerWaalsContact O-CB 3.25Å; Q214-A218 WeakPolarHBondContact O-CB 3.4Å; Q214-A218 PolarHBondContact O-N 3.4Å; A218-A222 VanDerWaalsContact O-CB 3.25Å; A218-A222 WeakPolarHBondContact O-CB 3.43Å; A218-A222 PolarHBondContact O-N 3.01Å |
| 219 | A | 82.6 | Confident | 82.8 | Confident | 61 Ų | 61 | 102.8 Ų | 102.8 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R215 E216 I217 A223 | R215-A219 WeakPolarHBondContact O-CB 3.32Å; R215-A219 PolarHBondContact O-N 3.11Å; E216-A219 PolarHBondContact O-N 3.47Å; I217-A219 VanDerWaalsContact C-N 3.34Å; I217-A219 PolarHBondContact O-N 3.24Å; A219-A223 WeakPolarHBondContact O-CB 3.13Å; A219-A223 PolarHBondContact O-N 3.45Å |
| 220 | R | 78.4 | Confident | 82.4 | Confident | 167 Ų | 167 | 103.4 Ų | 103.4 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -49.9 | 174.4 | 179.8 | 177.5 | 171.1 | 160.5 | 3.9 | 111.8 | E216 I217 A222 A223 E224 | E216-R220 WeakPolarHBondContact O-CB 3.31Å; E216-R220 PolarHBondContact O-N 2.83Å; I217-R220 WeakPolarHBondContact O-CB 3.21Å; I217-R220 PolarHBondContact O-N 2.93Å; I217-R220 VanDerWaalsContact O-N 3.15Å; R220-A222 VanDerWaalsContact C-N 3.27Å; R220-A222 PolarHBondContact O-N 3.4Å; R220-A223 WeakPolarHBondContact O-CB 3.42Å; R220-A223 PolarHBondContact O-N 2.92Å; R220-E224 HydrophobicContact CG-CG 4.41Å; R220-E224 IonicContact CZ-OE1 3.4Å; R220-E224 VanDerWaalsContact CZ-OE1 3.25Å; R220-E224 IonicContact NE-OE1 2.74Å; R220-E224 PolarHBondContact NE-OE1 3.02Å; R220-E224 IonicContact NH2-OE1 3.39Å; R220-E224 PolarHBondContact NH2-OE1 3.23Å; R220-E224 WeakPolarHBondContact O-CG 3.12Å; R220-E224 PolarHBondContact O-N 2.66Å |
| 221 | E | 82.4 | Confident | 82.3 | Confident | 92 Ų | 92 | 104.9 Ų | 104.9 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.5 | -40.5 | 174.7 | -74.7 | -176.5 | -148.7 | 0 | 0 | 111.7 | I217 R225 | I217-E221 PolarHBondContact O-N 3.45Å; E221-R225 WeakPolarHBondContact O-CB 3.3Å; E221-R225 VanDerWaalsContact O-CG 3.23Å; E221-R225 WeakPolarHBondContact O-CG 3.23Å; E221-R225 PolarHBondContact O-N 3.2Å; E221-R225 IonicContact OE2-NH2 3.08Å |
| 222 | A | 80.9 | Confident | 82.2 | Confident | 48 Ų | 48 | 105.5 Ų | 105.5 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -32.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A218 R220 K226 | A218-A222 VanDerWaalsContact O-CB 3.25Å; A218-A222 WeakPolarHBondContact O-CB 3.43Å; A218-A222 PolarHBondContact O-N 3.01Å; R220-A222 VanDerWaalsContact C-N 3.27Å; R220-A222 PolarHBondContact O-N 3.4Å; A222-K226 WeakPolarHBondContact O-CB 3.29Å; A222-K226 WeakPolarHBondContact O-CG 3.43Å; A222-K226 PolarHBondContact O-N 3.45Å; A222-K226 VanDerWaalsContact O-N 3.09Å |
| 223 | A | 81.9 | Confident | 81.9 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.3 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A219 R220 R225 K226 Q227 | A219-A223 WeakPolarHBondContact O-CB 3.13Å; A219-A223 PolarHBondContact O-N 3.45Å; R220-A223 WeakPolarHBondContact O-CB 3.42Å; R220-A223 PolarHBondContact O-N 2.92Å; A223-R225 PolarHBondContact O-N 2.88Å; A223-K226 PolarHBondContact O-N 3.46Å; A223-Q227 WeakPolarHBondContact O-CB 3.3Å; A223-Q227 PolarHBondContact O-N 3.13Å |
| 224 | E | 81 | Confident | 81.7 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.6 | -71.1 | 174.9 | 176.3 | 0 | 0 | 111.3 | R220 Q227 K228 | R220-E224 HydrophobicContact CG-CG 4.41Å; R220-E224 IonicContact CZ-OE1 3.4Å; R220-E224 VanDerWaalsContact CZ-OE1 3.25Å; R220-E224 IonicContact NE-OE1 2.74Å; R220-E224 PolarHBondContact NE-OE1 3.02Å; R220-E224 IonicContact NH2-OE1 3.39Å; R220-E224 PolarHBondContact NH2-OE1 3.23Å; R220-E224 WeakPolarHBondContact O-CG 3.12Å; R220-E224 PolarHBondContact O-N 2.66Å; E224-Q227 PolarHBondContact O-N 2.89Å; E224-K228 PolarHBondContact O-N 3Å |
| 225 | R | 83.5 | Confident | 81.9 | Confident | 169 Ų | 169 | 106.9 Ų | 106.9 | 64% | 0.638 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 170.6 | -73.4 | 174.3 | -162.3 | -141.2 | 8.1 | 112.4 | E221 A223 K228 E229 | E221-R225 WeakPolarHBondContact O-CB 3.3Å; E221-R225 VanDerWaalsContact O-CG 3.23Å; E221-R225 WeakPolarHBondContact O-CG 3.23Å; E221-R225 PolarHBondContact O-N 3.2Å; E221-R225 IonicContact OE2-NH2 3.08Å; A223-R225 PolarHBondContact O-N 2.88Å; R225-K228 PolarHBondContact O-N 3.14Å; R225-E229 PolarHBondContact O-N 2.93Å |
| 226 | K | 80.6 | Confident | 81.8 | Confident | 123 Ų | 123 | 103.3 Ų | 103.3 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 178 | -78.8 | -178.2 | 176.4 | -173 | 0 | 112.7 | A222 A223 K228 E229 Y230 | A222-K226 WeakPolarHBondContact O-CB 3.29Å; A222-K226 WeakPolarHBondContact O-CG 3.43Å; A222-K226 PolarHBondContact O-N 3.45Å; A222-K226 VanDerWaalsContact O-N 3.09Å; A223-K226 PolarHBondContact O-N 3.46Å; K226-K228 VanDerWaalsContact C-N 3.32Å; K226-K228 PolarHBondContact O-N 2.79Å; K226-E229 PolarHBondContact O-N 3.05Å; K226-Y230 HydrophobicContact CB-CE2 4.32Å; K226-Y230 WeakPolarHBondContact O-CD2 3.36Å; K226-Y230 PolarHBondContact O-N 3.02Å |
| 227 | Q | 78.2 | Confident | 81.8 | Confident | 111 Ų | 111 | 101.2 Ų | 101.2 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -48 | 173 | 178 | 177.4 | -22.5 | 0 | 0 | 109.9 | A223 E224 E229 Y230 E231 | A223-Q227 WeakPolarHBondContact O-CB 3.3Å; A223-Q227 PolarHBondContact O-N 3.13Å; E224-Q227 PolarHBondContact O-N 2.89Å; Q227-E229 PolarHBondContact O-N 3.19Å; Q227-Y230 PolarHBondContact O-N 3.43Å; Q227-Y230 VanDerWaalsContact O-N 3.11Å; Q227-E231 HydrophobicContact CG-CG 4.44Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.13Å; Q227-E231 PolarHBondContact NE2-OE1 2.76Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 2.76Å |
| 228 | K | 84.8 | Confident | 81.8 | Confident | 128 Ų | 128 | 102.4 Ų | 102.4 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 175.5 | -171.5 | 178.4 | 177 | -177.4 | 0 | 112.5 | E224 R225 K226 Y230 E231 D232 | E224-K228 PolarHBondContact O-N 3Å; R225-K228 PolarHBondContact O-N 3.14Å; K226-K228 VanDerWaalsContact C-N 3.32Å; K226-K228 PolarHBondContact O-N 2.79Å; K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.35Å; K228-E231 PolarHBondContact O-N 3.33Å; K228-D232 WeakPolarHBondContact O-CB 3.32Å; K228-D232 PolarHBondContact O-N 3.49Å |
| 229 | E | 82.2 | Confident | 81.9 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 173.9 | -74.7 | -179.9 | -140 | 0 | 0 | 112.8 | R225 K226 Q227 R233 | R225-E229 PolarHBondContact O-N 2.93Å; K226-E229 PolarHBondContact O-N 3.05Å; Q227-E229 PolarHBondContact O-N 3.19Å; E229-R233 WeakPolarHBondContact O-CB 3.45Å; E229-R233 WeakPolarHBondContact O-CG 3.47Å; E229-R233 PolarHBondContact O-N 2.72Å; E229-R233 VanDerWaalsContact O-N 3.08Å; E229-R233 IonicContact OE2-NH2 3.17Å; E229-R233 PolarHBondContact OE2-NH2 2.83Å; E229-R233 VanDerWaalsContact OE2-NH2 3.09Å |
| 230 | Y | 78.5 | Confident | 81.8 | Confident | 150 Ų | 150 | 106.9 Ų | 106.9 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73 | -37.1 | 174.7 | -68.4 | -54.4 | 0 | 0 | 0 | 112.4 | K226 Q227 K228 L234 | K226-Y230 HydrophobicContact CB-CE2 4.32Å; K226-Y230 WeakPolarHBondContact O-CD2 3.36Å; K226-Y230 PolarHBondContact O-N 3.02Å; Q227-Y230 PolarHBondContact O-N 3.43Å; Q227-Y230 VanDerWaalsContact O-N 3.11Å; K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.35Å; Y230-L234 WeakPolarHBondContact O-CB 3.47Å; Y230-L234 PolarHBondContact O-N 2.98Å |
| 231 | E | 82 | Confident | 81.8 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -46 | 174.7 | -72.9 | 171.4 | -174.1 | 0 | 0 | 111.4 | Q227 K228 L234 M235 | Q227-E231 HydrophobicContact CG-CG 4.44Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.13Å; Q227-E231 PolarHBondContact NE2-OE1 2.76Å; Q227-E231 WeakPolarHBondContact O-CG 3.34Å; Q227-E231 PolarHBondContact O-N 2.76Å; K228-E231 PolarHBondContact O-N 3.33Å; E231-L234 PolarHBondContact O-N 3.2Å; E231-M235 WeakPolarHBondContact O-CG 3.19Å; E231-M235 PolarHBondContact O-N 2.81Å |
| 232 | D | 85.9 | Confident | 81.9 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.9 | -72.5 | -28.4 | 0 | 0 | 0 | 111 | K228 M235 E236 | K228-D232 WeakPolarHBondContact O-CB 3.32Å; K228-D232 PolarHBondContact O-N 3.49Å; D232-M235 PolarHBondContact O-N 2.68Å; D232-E236 PolarHBondContact O-N 3.47Å; D232-E236 VanDerWaalsContact O-N 3.12Å |
| 233 | R | 81.9 | Confident | 82 | Confident | 153 Ų | 153 | 107.2 Ų | 107.2 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 173.9 | -74.1 | 176.1 | -146.5 | -158.4 | 7.7 | 112.7 | E229 M235 E236 M237 | E229-R233 WeakPolarHBondContact O-CB 3.45Å; E229-R233 WeakPolarHBondContact O-CG 3.47Å; E229-R233 PolarHBondContact O-N 2.72Å; E229-R233 VanDerWaalsContact O-N 3.08Å; E229-R233 IonicContact OE2-NH2 3.17Å; E229-R233 PolarHBondContact OE2-NH2 2.83Å; E229-R233 VanDerWaalsContact OE2-NH2 3.09Å; R233-M235 VanDerWaalsContact C-N 3.25Å; R233-M235 PolarHBondContact O-N 2.93Å; R233-E236 PolarHBondContact O-N 3.16Å; R233-M237 WeakPolarHBondContact O-CB 3.2Å; R233-M237 PolarHBondContact O-N 3.13Å |
| 234 | L | 80.4 | Confident | 81.9 | Confident | 82 Ų | 82 | 105.2 Ų | 105.2 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -32.1 | 178.6 | -178.8 | 63.5 | 0 | 0 | 0 | 111.6 | Y230 E231 M237 K238 | Y230-L234 WeakPolarHBondContact O-CB 3.47Å; Y230-L234 PolarHBondContact O-N 2.98Å; E231-L234 PolarHBondContact O-N 3.2Å; L234-M237 HydrophobicContact CD1-CE 4.12Å; L234-K238 HydrophobicContact CG-CD 4.48Å; L234-K238 WeakPolarHBondContact O-CB 3.35Å; L234-K238 WeakPolarHBondContact O-CD 3.3Å; L234-K238 WeakPolarHBondContact O-CG 3.44Å; L234-K238 PolarHBondContact O-N 3.28Å; L234-K238 VanDerWaalsContact O-N 3.1Å |
| 235 | M | 86.1 | Confident | 81.9 | Confident | 122 Ų | 122 | 105.1 Ų | 105.1 | 60% | 0.601 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.1 | -43.8 | 174.2 | -75.5 | -65.7 | -69.8 | 0 | 0 | 112.5 | E231 D232 R233 K239 | E231-M235 WeakPolarHBondContact O-CG 3.19Å; E231-M235 PolarHBondContact O-N 2.81Å; D232-M235 PolarHBondContact O-N 2.68Å; R233-M235 VanDerWaalsContact C-N 3.25Å; R233-M235 PolarHBondContact O-N 2.93Å; M235-K239 WeakPolarHBondContact O-CB 3.4Å; M235-K239 PolarHBondContact O-N 3.45Å |
| 236 | E | 82.3 | Confident | 82 | Confident | 76 Ų | 76 | 101.5 Ų | 101.5 | 36% | 0.355 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 175.6 | -163.3 | 63.8 | -153.3 | 0 | 0 | 111.4 | D232 R233 K238 K239 E240 R243 | D232-E236 PolarHBondContact O-N 3.47Å; D232-E236 VanDerWaalsContact O-N 3.12Å; R233-E236 PolarHBondContact O-N 3.16Å; E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 3.17Å; E236-K239 CarbonylContact O-C 3.55Å; E236-K239 WeakPolarHBondContact O-CA 3.43Å; E236-K239 WeakPolarHBondContact O-CB 3.38Å; E236-K239 PolarHBondContact O-N 3.39Å; E236-K239 WeakPolarHBondContact OE1-CE 3.38Å; E236-K239 IonicContact OE1-NZ 2.79Å; E236-K239 PolarHBondContact OE1-NZ 2.94Å; E236-K239 WeakPolarHBondContact OE2-CD 3.47Å; E236-K239 IonicContact OE2-NZ 3.18Å; E236-K239 PolarHBondContact OE2-NZ 3.08Å; E236-E240 PolarHBondContact O-N 3.16Å; E236-R243 IonicContact OE1-NH1 2.63Å |
| 237 | M | 79.9 | Confident | 82 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 176.2 | -167.9 | -169.8 | 88.9 | 0 | 0 | 112.3 | R233 L234 K239 E240 M241 A349 | R233-M237 WeakPolarHBondContact O-CB 3.2Å; R233-M237 PolarHBondContact O-N 3.13Å; L234-M237 HydrophobicContact CD1-CE 4.12Å; M237-K239 VanDerWaalsContact C-N 3.32Å; M237-K239 PolarHBondContact O-N 2.97Å; M237-E240 PolarHBondContact O-N 3.26Å; M237-M241 WeakPolarHBondContact O-CB 3.35Å; M237-M241 PolarHBondContact O-N 3.43Å; M237-A349 HydrophobicContact CE-CB 4.47Å; M237-A349 HydrophobicContact CG-CB 4.17Å; M237-A349 HydrophobicContact SD-CB 3.93Å |
| 238 | K | 81.1 | Confident | 82.2 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 47% | 0.47 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 173 | -78.5 | 168.3 | -179.2 | 171.8 | 0 | 112.5 | L234 E236 M241 E242 | L234-K238 HydrophobicContact CG-CD 4.48Å; L234-K238 WeakPolarHBondContact O-CB 3.35Å; L234-K238 WeakPolarHBondContact O-CD 3.3Å; L234-K238 WeakPolarHBondContact O-CG 3.44Å; L234-K238 PolarHBondContact O-N 3.28Å; L234-K238 VanDerWaalsContact O-N 3.1Å; E236-K238 VanDerWaalsContact C-N 3.33Å; E236-K238 PolarHBondContact O-N 3.17Å; K238-M241 PolarHBondContact O-N 3.03Å; K238-E242 PolarHBondContact O-N 3.43Å |
| 239 | K | 85.7 | Confident | 82.2 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.4 | -34.2 | -179.8 | 170.9 | 179.6 | 161.8 | -136.4 | 0 | 112 | M235 E236 M237 R243 | M235-K239 WeakPolarHBondContact O-CB 3.4Å; M235-K239 PolarHBondContact O-N 3.45Å; E236-K239 CarbonylContact O-C 3.55Å; E236-K239 WeakPolarHBondContact O-CA 3.43Å; E236-K239 WeakPolarHBondContact O-CB 3.38Å; E236-K239 PolarHBondContact O-N 3.39Å; E236-K239 WeakPolarHBondContact OE1-CE 3.38Å; E236-K239 IonicContact OE1-NZ 2.79Å; E236-K239 PolarHBondContact OE1-NZ 2.94Å; E236-K239 WeakPolarHBondContact OE2-CD 3.47Å; E236-K239 IonicContact OE2-NZ 3.18Å; E236-K239 PolarHBondContact OE2-NZ 3.08Å; M237-K239 VanDerWaalsContact C-N 3.32Å; M237-K239 PolarHBondContact O-N 2.97Å; K239-R243 WeakPolarHBondContact O-CD 3.33Å; K239-R243 VanDerWaalsContact O-CG 3.27Å; K239-R243 WeakPolarHBondContact O-CG 3.5Å; K239-R243 PolarHBondContact O-N 3.13Å |
| 240 | E | 80.2 | Confident | 82.2 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.523 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 167.7 | -69 | -177.6 | 151 | 0 | 0 | 111.6 | E236 M237 E242 R243 A244 | E236-E240 PolarHBondContact O-N 3.16Å; M237-E240 PolarHBondContact O-N 3.26Å; E240-E242 PolarHBondContact O-N 3.45Å; E240-R243 WeakPolarHBondContact O-CB 3.3Å; E240-R243 PolarHBondContact O-N 3.47Å; E240-A244 WeakPolarHBondContact O-CB 3.28Å; E240-A244 PolarHBondContact O-N 3.4Å |
| 241 | M | 78 | Confident | 82.3 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 177.8 | -160.8 | -160.6 | 83 | 0 | 0 | 112.3 | M237 K238 K245 L346 | M237-M241 WeakPolarHBondContact O-CB 3.35Å; M237-M241 PolarHBondContact O-N 3.43Å; K238-M241 PolarHBondContact O-N 3.03Å; M241-K245 VanDerWaalsContact O-CB 3.24Å; M241-K245 WeakPolarHBondContact O-CB 3.47Å; M241-K245 PolarHBondContact O-N 2.89Å; M241-L346 HydrophobicContact CG-CD1 3.44Å; M241-L346 VanDerWaalsContact CG-CD1 3.44Å; M241-L346 HydrophobicContact SD-CD1 4.45Å |
| 242 | E | 84.2 | Confident | 82.3 | Confident | 95 Ų | 95 | 89.2 Ų | 89.2 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.3 | -30.6 | 180 | -162.1 | 65.2 | -159.7 | 0 | 0 | 112.2 | K238 E240 K245 Q246 | K238-E242 PolarHBondContact O-N 3.43Å; E240-E242 PolarHBondContact O-N 3.45Å; E242-K245 IonicContact OE1-NZ 2.74Å; E242-K245 PolarHBondContact OE1-NZ 3.43Å; E242-K245 WeakPolarHBondContact OE2-CD 3.46Å; E242-K245 IonicContact OE2-NZ 2.7Å; E242-K245 PolarHBondContact OE2-NZ 2.83Å; E242-Q246 PolarHBondContact O-N 3.44Å |
| 243 | R | 83.8 | Confident | 82.2 | Confident | 131 Ų | 131 | 86.8 Ų | 86.8 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -54 | 168.7 | -77.6 | 166.6 | 169.6 | 165.5 | -7.5 | 111.7 | E236 K239 E240 K245 Q246 E247 | E236-R243 IonicContact OE1-NH1 2.63Å; K239-R243 WeakPolarHBondContact O-CD 3.33Å; K239-R243 VanDerWaalsContact O-CG 3.27Å; K239-R243 WeakPolarHBondContact O-CG 3.5Å; K239-R243 PolarHBondContact O-N 3.13Å; E240-R243 WeakPolarHBondContact O-CB 3.3Å; E240-R243 PolarHBondContact O-N 3.47Å; R243-K245 PolarHBondContact O-N 3.11Å; R243-Q246 PolarHBondContact O-N 2.75Å; R243-E247 WeakPolarHBondContact O-CG 3.47Å; R243-E247 PolarHBondContact O-N 3.43Å |
| 244 | A | 80.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 81.1 Ų | 81.1 | 12% | 0.124 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.3 | -36.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E240 L248 A342 | E240-A244 WeakPolarHBondContact O-CB 3.28Å; E240-A244 PolarHBondContact O-N 3.4Å; A244-L248 VanDerWaalsContact O-CB 3.28Å; A244-L248 WeakPolarHBondContact O-CB 3.47Å; A244-L248 PolarHBondContact O-N 3.24Å; A244-A342 HydrophobicContact CB-CB 4.12Å |
| 245 | K | 80.6 | Confident | 82.2 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 173 | 175.3 | -174.8 | 163.7 | -146 | 0 | 113.2 | M241 E242 R243 I249 | M241-K245 VanDerWaalsContact O-CB 3.24Å; M241-K245 WeakPolarHBondContact O-CB 3.47Å; M241-K245 PolarHBondContact O-N 2.89Å; E242-K245 IonicContact OE1-NZ 2.74Å; E242-K245 PolarHBondContact OE1-NZ 3.43Å; E242-K245 WeakPolarHBondContact OE2-CD 3.46Å; E242-K245 IonicContact OE2-NZ 2.7Å; E242-K245 PolarHBondContact OE2-NZ 2.83Å; R243-K245 PolarHBondContact O-N 3.11Å; K245-I249 HydrophobicContact CG-CD1 4.44Å; K245-I249 WeakPolarHBondContact O-CG1 3.36Å; K245-I249 PolarHBondContact O-N 2.84Å; K245-I249 VanDerWaalsContact O-N 3.15Å |
| 246 | Q | 84.2 | Confident | 82.2 | Confident | 93 Ų | 93 | 80.3 Ų | 80.3 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67 | -46.7 | 174.6 | -178.3 | 56.7 | 49.9 | 0 | 0 | 111.1 | E242 R243 L248 I249 D250 | E242-Q246 PolarHBondContact O-N 3.44Å; R243-Q246 PolarHBondContact O-N 2.75Å; Q246-L248 VanDerWaalsContact C-N 3.26Å; Q246-L248 PolarHBondContact O-N 2.8Å; Q246-I249 WeakPolarHBondContact O-CB 3.23Å; Q246-I249 PolarHBondContact O-N 2.79Å; Q246-D250 VanDerWaalsContact NE2-CG 3.26Å; Q246-D250 PolarHBondContact NE2-OD1 2.86Å; Q246-D250 PolarHBondContact NE2-OD2 3.07Å; Q246-D250 PolarHBondContact O-N 3.21Å |
| 247 | E | 81.5 | Confident | 82.2 | Confident | 108 Ų | 108 | 83.7 Ų | 83.7 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -37 | 175.9 | -70 | 171.2 | -166.1 | 0 | 0 | 112 | R243 D250 A251 | R243-E247 WeakPolarHBondContact O-CG 3.47Å; R243-E247 PolarHBondContact O-N 3.43Å; E247-D250 PolarHBondContact O-N 2.84Å; E247-A251 VanDerWaalsContact O-CB 3.27Å; E247-A251 WeakPolarHBondContact O-CB 3.49Å; E247-A251 PolarHBondContact O-N 3.4Å |
| 248 | L | 81.3 | Confident | 82.3 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 172.9 | 176.9 | 63 | 0 | 0 | 0 | 112.9 | A244 Q246 Q252 Q339 | A244-L248 VanDerWaalsContact O-CB 3.28Å; A244-L248 WeakPolarHBondContact O-CB 3.47Å; A244-L248 PolarHBondContact O-N 3.24Å; Q246-L248 VanDerWaalsContact C-N 3.26Å; Q246-L248 PolarHBondContact O-N 2.8Å; L248-Q252 WeakPolarHBondContact O-CB 3.36Å; L248-Q252 VanDerWaalsContact O-CG 3.29Å; L248-Q252 WeakPolarHBondContact O-CG 3.44Å; L248-Q252 PolarHBondContact O-N 3.01Å; L248-Q339 HydrophobicContact CD1-CB 4.47Å; L248-Q339 HydrophobicContact CD1-CG 3.79Å; L248-Q339 VanDerWaalsContact CD1-NE2 3.34Å |
| 249 | I | 85.6 | Confident | 82.4 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 176 | -69.6 | 163.6 | 0 | 0 | 0 | 110.2 | K245 Q246 Q252 S253 | K245-I249 HydrophobicContact CG-CD1 4.44Å; K245-I249 WeakPolarHBondContact O-CG1 3.36Å; K245-I249 PolarHBondContact O-N 2.84Å; K245-I249 VanDerWaalsContact O-N 3.15Å; Q246-I249 WeakPolarHBondContact O-CB 3.23Å; Q246-I249 PolarHBondContact O-N 2.79Å; I249-Q252 PolarHBondContact O-N 3.01Å; I249-S253 PolarHBondContact O-N 3.42Å |
| 250 | D | 83.1 | Confident | 82.4 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | -179.9 | -66.6 | -31.1 | 0 | 0 | 0 | 111.2 | Q246 E247 S253 T254 | Q246-D250 VanDerWaalsContact NE2-CG 3.26Å; Q246-D250 PolarHBondContact NE2-OD1 2.86Å; Q246-D250 PolarHBondContact NE2-OD2 3.07Å; Q246-D250 PolarHBondContact O-N 3.21Å; E247-D250 PolarHBondContact O-N 2.84Å; D250-S253 WeakPolarHBondContact O-CB 3.26Å; D250-S253 PolarHBondContact O-N 3.28Å; D250-S253 VanDerWaalsContact O-N 3.11Å; D250-S253 PolarHBondContact O-OG 3.47Å; D250-T254 PolarHBondContact O-N 3.43Å; D250-T254 VanDerWaalsContact O-N 3.11Å |
| 251 | A | 80.2 | Confident | 82.4 | Confident | 8 Ų | 8 | 76.6 Ų | 76.6 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E247 S253 T254 I255 A335 Q339 | E247-A251 VanDerWaalsContact O-CB 3.27Å; E247-A251 WeakPolarHBondContact O-CB 3.49Å; E247-A251 PolarHBondContact O-N 3.4Å; A251-S253 VanDerWaalsContact C-N 3.26Å; A251-S253 PolarHBondContact O-N 2.95Å; A251-T254 PolarHBondContact O-N 2.97Å; A251-T254 PolarHBondContact O-OG1 3.08Å; A251-I255 WeakPolarHBondContact O-CD1 3.15Å; A251-I255 VanDerWaalsContact O-CG1 3.26Å; A251-I255 WeakPolarHBondContact O-CG1 3.46Å; A251-I255 PolarHBondContact O-N 3.09Å; A251-A335 HydrophobicContact CB-CB 4.06Å; A251-Q339 HydrophobicContact CB-CB 4.46Å |
| 252 | Q | 81.6 | Confident | 82.6 | Confident | 106 Ų | 106 | 74.7 Ų | 74.7 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 171.4 | -75.9 | 175.8 | -0.3 | 0 | 0 | 111.6 | L248 I249 R256 | L248-Q252 WeakPolarHBondContact O-CB 3.36Å; L248-Q252 VanDerWaalsContact O-CG 3.29Å; L248-Q252 WeakPolarHBondContact O-CG 3.44Å; L248-Q252 PolarHBondContact O-N 3.01Å; I249-Q252 PolarHBondContact O-N 3.01Å; Q252-R256 WeakPolarHBondContact O-CB 3.23Å; Q252-R256 PolarHBondContact O-N 3.46Å; Q252-R256 VanDerWaalsContact O-N 3.16Å |
| 253 | S | 84.4 | Confident | 82.7 | Confident | 42 Ų | 42 | 77.2 Ų | 77.2 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.3 | -29.7 | 178.1 | 91.1 | 0 | 0 | 0 | 0 | 113.9 | I249 D250 A251 R257 | I249-S253 PolarHBondContact O-N 3.42Å; D250-S253 WeakPolarHBondContact O-CB 3.26Å; D250-S253 PolarHBondContact O-N 3.28Å; D250-S253 VanDerWaalsContact O-N 3.11Å; D250-S253 PolarHBondContact O-OG 3.47Å; A251-S253 VanDerWaalsContact C-N 3.26Å; A251-S253 PolarHBondContact O-N 2.95Å; S253-R257 WeakPolarHBondContact O-CG 3.3Å; S253-R257 PolarHBondContact O-N 2.88Å; S253-R257 PolarHBondContact O-NE 3.42Å; S253-R257 PolarHBondContact OG-NH2 2.98Å |
| 254 | T | 81 | Confident | 82.7 | Confident | 35 Ų | 35 | 76.7 Ų | 76.7 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -82 | -42 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | D250 A251 R256 R257 L258 | D250-T254 PolarHBondContact O-N 3.43Å; D250-T254 VanDerWaalsContact O-N 3.11Å; A251-T254 PolarHBondContact O-N 2.97Å; A251-T254 PolarHBondContact O-OG1 3.08Å; T254-R256 VanDerWaalsContact C-N 3.27Å; T254-R256 PolarHBondContact O-N 2.73Å; T254-R257 PolarHBondContact O-N 3.23Å; T254-R257 VanDerWaalsContact O-N 3.17Å; T254-L258 PolarHBondContact O-N 3.49Å; T254-L258 VanDerWaalsContact O-N 3.16Å |
| 255 | I | 80.9 | Confident | 82.8 | Confident | 18 Ų | 18 | 76.6 Ų | 76.6 | 9% | 0.092 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -50.9 | -48.9 | 171.2 | -70.5 | 162.7 | 0 | 0 | 0 | 110.4 | A251 R257 L258 E259 V332 R336 | A251-I255 WeakPolarHBondContact O-CD1 3.15Å; A251-I255 VanDerWaalsContact O-CG1 3.26Å; A251-I255 WeakPolarHBondContact O-CG1 3.46Å; A251-I255 PolarHBondContact O-N 3.09Å; I255-R257 PolarHBondContact O-N 3.1Å; I255-L258 WeakPolarHBondContact O-CB 3.09Å; I255-L258 PolarHBondContact O-N 3.13Å; I255-E259 WeakPolarHBondContact O-CG 3.41Å; I255-E259 PolarHBondContact O-N 3.45Å; I255-V332 HydrophobicContact CG1-CG1 3.86Å; I255-R336 HydrophobicContact CD1-CG 3.97Å; I255-R336 HydrophobicContact CG1-CG 4.35Å |
| 256 | R | 85.2 | Confident | 83 | Confident | 168 Ų | 168 | 77.7 Ų | 77.7 | 63% | 0.634 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | -179.5 | -175 | 174.6 | 175.3 | 171 | 1.4 | 113.6 | Q252 T254 L258 E259 D260 | Q252-R256 WeakPolarHBondContact O-CB 3.23Å; Q252-R256 PolarHBondContact O-N 3.46Å; Q252-R256 VanDerWaalsContact O-N 3.16Å; T254-R256 VanDerWaalsContact C-N 3.27Å; T254-R256 PolarHBondContact O-N 2.73Å; R256-L258 VanDerWaalsContact C-N 3.25Å; R256-L258 PolarHBondContact O-N 3.41Å; R256-E259 PolarHBondContact O-N 2.77Å; R256-D260 PolarHBondContact O-N 3Å |
| 257 | R | 83.1 | Confident | 83 | Confident | 147 Ų | 147 | 74.9 Ų | 74.9 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.5 | -36.2 | 176.7 | -78.7 | 177.7 | -105.6 | 179.8 | -7.3 | 112 | S253 T254 I255 S261 | S253-R257 WeakPolarHBondContact O-CG 3.3Å; S253-R257 PolarHBondContact O-N 2.88Å; S253-R257 PolarHBondContact O-NE 3.42Å; S253-R257 PolarHBondContact OG-NH2 2.98Å; T254-R257 PolarHBondContact O-N 3.23Å; T254-R257 VanDerWaalsContact O-N 3.17Å; I255-R257 PolarHBondContact O-N 3.1Å; R257-S261 WeakPolarHBondContact O-CB 3.49Å; R257-S261 PolarHBondContact O-N 3.22Å; R257-S261 PolarHBondContact O-OG 2.71Å |
| 258 | L | 82.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.7 | -41.7 | 173.6 | 168.3 | 131.6 | 0 | 0 | 0 | 112.4 | T254 I255 R256 D260 S261 L262 L328 Q329 V332 | T254-L258 PolarHBondContact O-N 3.49Å; T254-L258 VanDerWaalsContact O-N 3.16Å; I255-L258 WeakPolarHBondContact O-CB 3.09Å; I255-L258 PolarHBondContact O-N 3.13Å; R256-L258 VanDerWaalsContact C-N 3.25Å; R256-L258 PolarHBondContact O-N 3.41Å; L258-D260 VanDerWaalsContact C-N 3.31Å; L258-D260 PolarHBondContact O-N 3.25Å; L258-S261 PolarHBondContact O-N 3.09Å; L258-L262 HydrophobicContact CD1-CD1 4.47Å; L258-L262 HydrophobicContact CD2-CD1 3.56Å; L258-L262 HydrophobicContact CG-CD1 3.78Å; L258-L262 HydrophobicContact CG-CG 4.3Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CG 3.18Å; L258-L262 PolarHBondContact O-N 3.42Å; L258-L328 HydrophobicContact CD1-CB 4.03Å; L258-L328 VanDerWaalsContact CD1-O 3.3Å; L258-L328 WeakPolarHBondContact CD1-O 3.18Å; L258-Q329 VanDerWaalsContact CD1-CA 3.43Å; L258-Q329 HydrophobicContact CD1-CB 4.12Å; L258-Q329 HydrophobicContact CD1-CG 3.59Å; L258-V332 HydrophobicContact CB-CG2 3.76Å; L258-V332 HydrophobicContact CD1-CB 4.07Å; L258-V332 HydrophobicContact CD1-CG2 3.96Å; L258-V332 HydrophobicContact CD2-CG1 4.27Å; L258-V332 HydrophobicContact CD2-CG2 4.42Å; L258-V332 HydrophobicContact CG-CG2 4.27Å |
| 259 | E | 82.8 | Confident | 83.2 | Confident | 107 Ų | 107 | 72 Ų | 72 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 175.7 | -71.2 | 173.9 | 165.6 | 0 | 0 | 111.6 | I255 R256 K263 | I255-E259 WeakPolarHBondContact O-CG 3.41Å; I255-E259 PolarHBondContact O-N 3.45Å; R256-E259 PolarHBondContact O-N 2.77Å; E259-K263 WeakPolarHBondContact O-CB 3.36Å; E259-K263 PolarHBondContact O-N 3.44Å |
| 260 | D | 85.5 | Confident | 83.2 | Confident | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 173.7 | -71.6 | -41.3 | 0 | 0 | 0 | 111.7 | R256 L258 K263 E264 | R256-D260 PolarHBondContact O-N 3Å; L258-D260 VanDerWaalsContact C-N 3.31Å; L258-D260 PolarHBondContact O-N 3.25Å; D260-K263 WeakPolarHBondContact O-CB 3Å; D260-K263 PolarHBondContact O-N 3.48Å; D260-E264 PolarHBondContact O-N 3.46Å |
| 261 | S | 80.9 | Confident | 83.2 | Confident | 35 Ų | 35 | 75 Ų | 75 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | R257 L258 K263 E264 L265 | R257-S261 WeakPolarHBondContact O-CB 3.49Å; R257-S261 PolarHBondContact O-N 3.22Å; R257-S261 PolarHBondContact O-OG 2.71Å; L258-S261 PolarHBondContact O-N 3.09Å; S261-K263 VanDerWaalsContact C-N 3.26Å; S261-K263 PolarHBondContact O-N 3.05Å; S261-E264 PolarHBondContact O-N 3.27Å; S261-L265 WeakPolarHBondContact O-CB 3.27Å; S261-L265 PolarHBondContact O-N 3.31Å |
| 262 | L | 81.2 | Confident | 83.4 | Confident | 49 Ų | 49 | 75.5 Ų | 75.5 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 175.2 | -80.2 | 166.4 | 0 | 0 | 0 | 111.5 | L258 L265 Q266 T325 | L258-L262 HydrophobicContact CD1-CD1 4.47Å; L258-L262 HydrophobicContact CD2-CD1 3.56Å; L258-L262 HydrophobicContact CG-CD1 3.78Å; L258-L262 HydrophobicContact CG-CG 4.3Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CG 3.18Å; L258-L262 PolarHBondContact O-N 3.42Å; L262-L265 PolarHBondContact O-N 2.77Å; L262-Q266 WeakPolarHBondContact O-CB 3.2Å; L262-Q266 WeakPolarHBondContact O-CG 3.48Å; L262-Q266 PolarHBondContact O-N 2.93Å; L262-T325 HydrophobicContact CD2-CG2 3.54Å; L262-T325 HydrophobicContact CG-CG2 3.93Å |
| 263 | K | 86.2 | Confident | 83.5 | Confident | 149 Ų | 149 | 73.1 Ų | 73.1 | 65% | 0.648 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -70.7 | -39.7 | 178.1 | -173.4 | -179.2 | 177.9 | -174.5 | 0 | 112.1 | E259 D260 S261 G267 | E259-K263 WeakPolarHBondContact O-CB 3.36Å; E259-K263 PolarHBondContact O-N 3.44Å; D260-K263 WeakPolarHBondContact O-CB 3Å; D260-K263 PolarHBondContact O-N 3.48Å; S261-K263 VanDerWaalsContact C-N 3.26Å; S261-K263 PolarHBondContact O-N 3.05Å; K263-G267 PolarHBondContact O-N 3.34Å |
| 264 | E | 83.8 | Confident | 83.5 | Confident | 120 Ų | 120 | 77.1 Ų | 77.1 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.3 | -46.7 | 169 | -80 | -164.7 | -159.5 | 0 | 0 | 111.8 | D260 S261 G267 A268 K321 | D260-E264 PolarHBondContact O-N 3.46Å; S261-E264 PolarHBondContact O-N 3.27Å; E264-G267 PolarHBondContact O-N 3.06Å; E264-G267 VanDerWaalsContact O-N 3.16Å; E264-A268 PolarHBondContact O-N 2.9Å; E264-K321 IonicContact OE2-NZ 2.72Å; E264-K321 PolarHBondContact OE2-NZ 3.39Å |
| 265 | L | 83.6 | Confident | 83.6 | Confident | 13 Ų | 13 | 79.5 Ų | 79.5 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | -177.9 | -176.1 | 132.5 | 0 | 0 | 0 | 112.1 | S261 L262 G267 A268 Q269 K321 D322 | S261-L265 WeakPolarHBondContact O-CB 3.27Å; S261-L265 PolarHBondContact O-N 3.31Å; L262-L265 PolarHBondContact O-N 2.77Å; L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 2.92Å; L265-A268 PolarHBondContact O-N 3.15Å; L265-Q269 WeakPolarHBondContact O-CB 3.22Å; L265-Q269 WeakPolarHBondContact O-CG 3.28Å; L265-Q269 PolarHBondContact O-N 3.27Å; L265-K321 HydrophobicContact CD1-CB 4.13Å; L265-D322 HydrophobicContact CD1-CB 4.18Å |
| 266 | Q | 84.1 | Confident | 83.5 | Confident | 113 Ų | 113 | 81.6 Ų | 81.6 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 171.9 | -75 | 178.6 | -0 | 0 | 0 | 112.2 | L262 Q270 | L262-Q266 WeakPolarHBondContact O-CB 3.2Å; L262-Q266 WeakPolarHBondContact O-CG 3.48Å; L262-Q266 PolarHBondContact O-N 2.93Å; Q266-Q270 WeakPolarHBondContact O-CG 3.47Å; Q266-Q270 PolarHBondContact O-N 3.16Å |
| 267 | G | 85.5 | Confident | 83.4 | Confident | 35 Ų | 35 | 77.9 Ų | 77.9 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K263 E264 L265 Q269 Q270 E271 | K263-G267 PolarHBondContact O-N 3.34Å; E264-G267 PolarHBondContact O-N 3.06Å; E264-G267 VanDerWaalsContact O-N 3.16Å; L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 2.92Å; G267-Q269 PolarHBondContact O-N 3.21Å; G267-Q270 PolarHBondContact O-N 2.8Å; G267-E271 PolarHBondContact O-N 3.38Å |
| 268 | A | 83.5 | Confident | 83.4 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E264 L265 Q270 E271 L272 I318 | E264-A268 PolarHBondContact O-N 2.9Å; L265-A268 PolarHBondContact O-N 3.15Å; A268-Q270 PolarHBondContact O-N 3.38Å; A268-E271 PolarHBondContact O-N 3.12Å; A268-L272 WeakPolarHBondContact O-CB 3.48Å; A268-L272 PolarHBondContact O-N 2.99Å; A268-I318 HydrophobicContact CB-CD1 4.09Å; A268-I318 HydrophobicContact CB-CG1 3.93Å; A268-I318 WeakPolarHBondContact O-CD1 3.41Å |
| 269 | Q | 83.3 | Confident | 83.4 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 174.7 | -73.4 | 179.7 | -7.6 | 0 | 0 | 112.3 | L265 G267 A273 I318 D322 | L265-Q269 WeakPolarHBondContact O-CB 3.22Å; L265-Q269 WeakPolarHBondContact O-CG 3.28Å; L265-Q269 PolarHBondContact O-N 3.27Å; G267-Q269 PolarHBondContact O-N 3.21Å; Q269-A273 WeakPolarHBondContact O-CB 3.32Å; Q269-A273 PolarHBondContact O-N 2.86Å; Q269-I318 HydrophobicContact CG-CG2 3.93Å; Q269-D322 PolarHBondContact NE2-OD2 2.93Å |
| 270 | Q | 85.2 | Confident | 83.2 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.7 | -33.6 | 173.8 | -73.3 | 179 | 23.5 | 0 | 0 | 113.1 | Q266 G267 A268 K274 | Q266-Q270 WeakPolarHBondContact O-CG 3.47Å; Q266-Q270 PolarHBondContact O-N 3.16Å; G267-Q270 PolarHBondContact O-N 2.8Å; A268-Q270 PolarHBondContact O-N 3.38Å; Q270-K274 WeakPolarHBondContact O-CG 3.24Å; Q270-K274 PolarHBondContact O-N 3.14Å |
| 271 | E | 83.5 | Confident | 83.1 | Confident | 99 Ų | 99 | 75.7 Ų | 75.7 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 176.3 | -159.7 | -175.4 | 134 | 0 | 0 | 111.5 | G267 A268 K274 R275 | G267-E271 PolarHBondContact O-N 3.38Å; A268-E271 PolarHBondContact O-N 3.12Å; E271-K274 PolarHBondContact O-N 2.8Å; E271-R275 PolarHBondContact O-N 3.4Å; E271-R275 VanDerWaalsContact O-N 3.16Å; E271-R275 IonicContact OE1-CZ 2.72Å; E271-R275 IonicContact OE1-NH1 3.08Å; E271-R275 PolarHBondContact OE1-NH1 2.75Å; E271-R275 IonicContact OE1-NH2 2.71Å; E271-R275 PolarHBondContact OE1-NH2 2.94Å |
| 272 | L | 83.6 | Confident | 83 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 170.9 | 176 | 66.5 | 0 | 0 | 0 | 111.3 | A268 K274 R275 E276 I311 V314 R315 I318 | A268-L272 WeakPolarHBondContact O-CB 3.48Å; A268-L272 PolarHBondContact O-N 2.99Å; L272-K274 PolarHBondContact O-N 2.58Å; L272-R275 WeakPolarHBondContact O-CB 3.34Å; L272-R275 PolarHBondContact O-N 2.96Å; L272-E276 HydrophobicContact CD1-CG 4.24Å; L272-E276 WeakPolarHBondContact CD1-OE1 3.37Å; L272-E276 HydrophobicContact CG-CG 4.41Å; L272-E276 VanDerWaalsContact CG-OE1 3.28Å; L272-E276 WeakPolarHBondContact CG-OE1 3.29Å; L272-E276 WeakPolarHBondContact O-CG 3.49Å; L272-E276 PolarHBondContact O-N 3.48Å; L272-I311 HydrophobicContact CD1-CG2 4.08Å; L272-V314 HydrophobicContact CB-CG1 4.45Å; L272-V314 HydrophobicContact CD1-CB 4.45Å; L272-V314 HydrophobicContact CD1-CG1 4.13Å; L272-R315 HydrophobicContact CD1-CG 3.86Å; L272-R315 HydrophobicContact CD2-CG 3.71Å; L272-R315 HydrophobicContact CG-CG 4.43Å; L272-I318 HydrophobicContact CB-CD1 3.67Å; L272-I318 HydrophobicContact CD2-CD1 3.75Å; L272-I318 HydrophobicContact CG-CD1 4.22Å |
| 273 | A | 84.2 | Confident | 82.7 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.5 | -35 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q269 E277 | Q269-A273 WeakPolarHBondContact O-CB 3.32Å; Q269-A273 PolarHBondContact O-N 2.86Å; A273-E277 WeakPolarHBondContact O-CB 3.45Å; A273-E277 PolarHBondContact O-N 2.71Å |
| 274 | K | 84.7 | Confident | 82.4 | Confident | 126 Ų | 126 | 70.7 Ų | 70.7 | 55% | 0.548 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 173.6 | -70.9 | 168.7 | -174.9 | 171.6 | 0 | 112.5 | Q270 E271 L272 E276 E277 E278 | Q270-K274 WeakPolarHBondContact O-CG 3.24Å; Q270-K274 PolarHBondContact O-N 3.14Å; E271-K274 PolarHBondContact O-N 2.8Å; L272-K274 PolarHBondContact O-N 2.58Å; K274-E276 VanDerWaalsContact C-N 3.28Å; K274-E276 PolarHBondContact O-N 2.92Å; K274-E277 PolarHBondContact O-N 3.47Å; K274-E278 WeakPolarHBondContact O-CG 3.34Å; K274-E278 PolarHBondContact O-N 3.26Å |
| 275 | R | 81.5 | Confident | 82 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 32% | 0.317 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 175 | -70.9 | -175.5 | 173 | 98.2 | 10.9 | 111.5 | E271 L272 E278 V279 I311 | E271-R275 PolarHBondContact O-N 3.4Å; E271-R275 VanDerWaalsContact O-N 3.16Å; E271-R275 IonicContact OE1-CZ 2.72Å; E271-R275 IonicContact OE1-NH1 3.08Å; E271-R275 PolarHBondContact OE1-NH1 2.75Å; E271-R275 IonicContact OE1-NH2 2.71Å; E271-R275 PolarHBondContact OE1-NH2 2.94Å; L272-R275 WeakPolarHBondContact O-CB 3.34Å; L272-R275 PolarHBondContact O-N 2.96Å; R275-E278 PolarHBondContact O-N 2.91Å; R275-V279 PolarHBondContact O-N 3.41Å; R275-I311 HydrophobicContact CB-CD1 4.11Å; R275-I311 HydrophobicContact CB-CG1 3.89Å |
| 276 | E | 80 | Confident | 81.4 | Confident | 62 Ų | 62 | 73 Ų | 73 | 29% | 0.29 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.2 | -68.2 | -178.1 | -166.9 | 0 | 0 | 112 | L272 K274 E278 V279 E280 I311 R315 | L272-E276 HydrophobicContact CD1-CG 4.24Å; L272-E276 WeakPolarHBondContact CD1-OE1 3.37Å; L272-E276 HydrophobicContact CG-CG 4.41Å; L272-E276 VanDerWaalsContact CG-OE1 3.28Å; L272-E276 WeakPolarHBondContact CG-OE1 3.29Å; L272-E276 WeakPolarHBondContact O-CG 3.49Å; L272-E276 PolarHBondContact O-N 3.48Å; K274-E276 VanDerWaalsContact C-N 3.28Å; K274-E276 PolarHBondContact O-N 2.92Å; E276-E278 VanDerWaalsContact C-N 3.35Å; E276-E278 PolarHBondContact O-N 2.91Å; E276-V279 PolarHBondContact O-N 3.21Å; E276-E280 PolarHBondContact O-N 3.19Å; E276-I311 HydrophobicContact CG-CD1 4.11Å; E276-I311 HydrophobicContact CG-CG2 4.06Å; E276-R315 IonicContact OE1-CZ 3.18Å; E276-R315 IonicContact OE1-NE 3.95Å; E276-R315 PolarHBondContact OE1-NE 2.88Å; E276-R315 IonicContact OE1-NH2 3.57Å; E276-R315 PolarHBondContact OE1-NH2 3.28Å; E276-R315 IonicContact OE2-CZ 2.68Å; E276-R315 IonicContact OE2-NH2 3.38Å; E276-R315 PolarHBondContact OE2-NH2 3.45Å |
| 277 | E | 83.1 | Confident | 80.7 | Confident | 91 Ų | 91 | 75.6 Ų | 75.6 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 174.4 | -158.4 | -156.4 | 168 | 0 | 0 | 112.5 | A273 K274 E280 K281 | A273-E277 WeakPolarHBondContact O-CB 3.45Å; A273-E277 PolarHBondContact O-N 2.71Å; K274-E277 PolarHBondContact O-N 3.47Å; E277-E280 PolarHBondContact O-N 3.16Å; E277-K281 WeakPolarHBondContact O-CB 3.33Å; E277-K281 WeakPolarHBondContact O-CD 3.44Å; E277-K281 VanDerWaalsContact O-CG 3.23Å; E277-K281 WeakPolarHBondContact O-CG 3.42Å; E277-K281 PolarHBondContact O-N 2.9Å; E277-K281 WeakPolarHBondContact OE1-CE 3.39Å; E277-K281 IonicContact OE1-NZ 3.97Å; E277-K281 PolarHBondContact OE1-NZ 3.46Å; E277-K281 IonicContact OE2-NZ 2.75Å; E277-K281 PolarHBondContact OE2-NZ 2.82Å |
| 278 | E | 81.9 | Confident | 79.8 | Confident | 101 Ų | 101 | 80.5 Ų | 80.5 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 173.6 | -76.2 | 176.3 | -169.4 | 0 | 0 | 111.9 | K274 R275 E276 K281 L282 | K274-E278 WeakPolarHBondContact O-CG 3.34Å; K274-E278 PolarHBondContact O-N 3.26Å; R275-E278 PolarHBondContact O-N 2.91Å; E276-E278 VanDerWaalsContact C-N 3.35Å; E276-E278 PolarHBondContact O-N 2.91Å; E278-K281 WeakPolarHBondContact O-CB 3.4Å; E278-K281 PolarHBondContact O-N 3.41Å; E278-L282 WeakPolarHBondContact O-CG 3.49Å; E278-L282 PolarHBondContact O-N 3.32Å |
| 279 | V | 82.3 | Confident | 78.8 | Confident | 16 Ų | 16 | 84.1 Ų | 84.1 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | R275 E276 K281 L282 G283 I304 R307 E308 I311 | R275-V279 PolarHBondContact O-N 3.41Å; E276-V279 PolarHBondContact O-N 3.21Å; V279-K281 VanDerWaalsContact C-N 3.3Å; V279-K281 PolarHBondContact O-N 2.75Å; V279-L282 PolarHBondContact O-N 3.33Å; V279-G283 PolarHBondContact O-N 2.99Å; V279-I304 HydrophobicContact CG1-CG2 4.26Å; V279-R307 HydrophobicContact CG2-CB 3.41Å; V279-R307 VanDerWaalsContact CG2-CB 3.41Å; V279-R307 HydrophobicContact CG2-CG 4.3Å; V279-E308 HydrophobicContact CG1-CG 4.05Å; V279-I311 HydrophobicContact CB-CD1 4.14Å; V279-I311 HydrophobicContact CG2-CD1 3.57Å |
| 280 | E | 80.6 | Confident | 77.5 | Confident | 105 Ų | 105 | 88.8 Ų | 88.8 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 174.7 | -156.5 | -147.9 | 168.4 | 0 | 0 | 112.2 | E276 E277 R284 | E276-E280 PolarHBondContact O-N 3.19Å; E277-E280 PolarHBondContact O-N 3.16Å; E280-R284 PolarHBondContact O-N 2.94Å; E280-R284 PolarHBondContact O-NE 3.19Å; E280-R284 IonicContact OE1-CZ 2.69Å; E280-R284 IonicContact OE1-NH1 2.68Å; E280-R284 PolarHBondContact OE1-NH1 2.85Å; E280-R284 IonicContact OE1-NH2 3.49Å; E280-R284 IonicContact OE2-CZ 2.98Å; E280-R284 VanDerWaalsContact OE2-CZ 3.31Å; E280-R284 IonicContact OE2-NH1 3.95Å; E280-R284 PolarHBondContact OE2-NH1 3.05Å; E280-R284 IonicContact OE2-NH2 2.87Å; E280-R284 PolarHBondContact OE2-NH2 2.92Å |
| 281 | K | 82.3 | Confident | 76.1 | Confident | 86 Ų | 86 | 92.3 Ų | 92.3 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 172.9 | -75.5 | 162.8 | -176.5 | 163.3 | 0 | 112.2 | E277 E278 V279 R284 R285 | E277-K281 WeakPolarHBondContact O-CB 3.33Å; E277-K281 WeakPolarHBondContact O-CD 3.44Å; E277-K281 VanDerWaalsContact O-CG 3.23Å; E277-K281 WeakPolarHBondContact O-CG 3.42Å; E277-K281 PolarHBondContact O-N 2.9Å; E277-K281 WeakPolarHBondContact OE1-CE 3.39Å; E277-K281 IonicContact OE1-NZ 3.97Å; E277-K281 PolarHBondContact OE1-NZ 3.46Å; E277-K281 IonicContact OE2-NZ 2.75Å; E277-K281 PolarHBondContact OE2-NZ 2.82Å; E278-K281 WeakPolarHBondContact O-CB 3.4Å; E278-K281 PolarHBondContact O-N 3.41Å; V279-K281 VanDerWaalsContact C-N 3.3Å; V279-K281 PolarHBondContact O-N 2.75Å; K281-R284 PolarHBondContact O-N 2.7Å; K281-R285 PolarHBondContact O-N 2.83Å; K281-R285 VanDerWaalsContact O-N 3.16Å |
| 282 | L | 78.6 | Confident | 74.8 | Confident | 22 Ų | 22 | 89.9 Ų | 89.9 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 175 | -67.8 | 165 | 0 | 0 | 0 | 111.3 | E278 V279 R284 R285 L286 I304 R307 | E278-L282 WeakPolarHBondContact O-CG 3.49Å; E278-L282 PolarHBondContact O-N 3.32Å; V279-L282 PolarHBondContact O-N 3.33Å; L282-R284 PolarHBondContact O-N 2.98Å; L282-R285 PolarHBondContact O-N 3.08Å; L282-L286 PolarHBondContact O-N 2.97Å; L282-L286 VanDerWaalsContact O-N 3.08Å; L282-I304 HydrophobicContact CB-CD1 4.01Å; L282-I304 HydrophobicContact CB-CG1 3.75Å; L282-R307 VanDerWaalsContact CD1-NH1 3.3Å |
| 283 | G | 75.7 | Confident | 73.9 | Confident | 17 Ų | 17 | 94 Ų | 94 | 18% | 0.175 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.4 | -11.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | V279 K287 | V279-G283 PolarHBondContact O-N 2.99Å; G283-K287 VanDerWaalsContact O-CD 3.3Å; G283-K287 WeakPolarHBondContact O-CD 3.3Å; G283-K287 WeakPolarHBondContact O-CE 3.43Å; G283-K287 WeakPolarHBondContact O-CG 3.43Å |
| 284 | R | 78.7 | Confident | 73.2 | Confident | 89 Ų | 89 | 97 Ų | 97 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -82.7 | -50.1 | 165.7 | -87.8 | -179.5 | -75.9 | -118.1 | -6.7 | 111.7 | E280 K281 L282 L286 K287 E288 | E280-R284 PolarHBondContact O-N 2.94Å; E280-R284 PolarHBondContact O-NE 3.19Å; E280-R284 IonicContact OE1-CZ 2.69Å; E280-R284 IonicContact OE1-NH1 2.68Å; E280-R284 PolarHBondContact OE1-NH1 2.85Å; E280-R284 IonicContact OE1-NH2 3.49Å; E280-R284 IonicContact OE2-CZ 2.98Å; E280-R284 VanDerWaalsContact OE2-CZ 3.31Å; E280-R284 IonicContact OE2-NH1 3.95Å; E280-R284 PolarHBondContact OE2-NH1 3.05Å; E280-R284 IonicContact OE2-NH2 2.87Å; E280-R284 PolarHBondContact OE2-NH2 2.92Å; K281-R284 PolarHBondContact O-N 2.7Å; L282-R284 PolarHBondContact O-N 2.98Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-L286 PolarHBondContact O-N 2.92Å; R284-K287 WeakPolarHBondContact O-CA 3.25Å; R284-K287 WeakPolarHBondContact O-CB 3.41Å; R284-K287 PolarHBondContact O-N 2.87Å; R284-E288 WeakPolarHBondContact O-CG 3.22Å; R284-E288 PolarHBondContact O-N 3.44Å |
| 285 | R | 75.4 | Confident | 72.5 | Confident | 144 Ų | 144 | 95.9 Ų | 95.9 | 54% | 0.543 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -52.3 | -47.1 | 175.9 | -69.7 | -177.9 | -175 | 167.6 | 0.8 | 112.3 | K281 L282 K287 E288 E289 | K281-R285 PolarHBondContact O-N 2.83Å; K281-R285 VanDerWaalsContact O-N 3.16Å; L282-R285 PolarHBondContact O-N 3.08Å; R285-K287 PolarHBondContact O-N 3.13Å; R285-E288 PolarHBondContact O-N 2.94Å; R285-E289 PolarHBondContact O-N 3.39Å |
| 286 | L | 71.9 | Confident | 71.8 | Confident | 37 Ų | 37 | 96.9 Ų | 96.9 | 19% | 0.194 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -55.4 | -21.5 | 176 | -171.5 | 69 | 0 | 0 | 0 | 114.5 | L282 R284 K297 L300 E301 I304 | L282-L286 PolarHBondContact O-N 2.97Å; L282-L286 VanDerWaalsContact O-N 3.08Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-L286 PolarHBondContact O-N 2.92Å; L286-K297 HydrophobicContact CD1-CG 3.71Å; L286-L300 HydrophobicContact CD1-CB 3.99Å; L286-E301 HydrophobicContact CD1-CG 4.02Å; L286-E301 HydrophobicContact CD2-CG 3.61Å; L286-E301 HydrophobicContact CG-CG 4.45Å; L286-I304 HydrophobicContact CB-CD1 4.43Å; L286-I304 HydrophobicContact CD2-CD1 3.88Å |
| 287 | K | 69.7 | Low | 71.3 | Confident | 168 Ų | 168 | 98.4 Ų | 98.4 | 73% | 0.73 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -100 | -28 | 177.6 | -65.4 | 171.6 | -174.3 | 167.2 | 0 | 113.4 | G283 R284 R285 | G283-K287 VanDerWaalsContact O-CD 3.3Å; G283-K287 WeakPolarHBondContact O-CD 3.3Å; G283-K287 WeakPolarHBondContact O-CE 3.43Å; G283-K287 WeakPolarHBondContact O-CG 3.43Å; R284-K287 WeakPolarHBondContact O-CA 3.25Å; R284-K287 WeakPolarHBondContact O-CB 3.41Å; R284-K287 PolarHBondContact O-N 2.87Å; R285-K287 PolarHBondContact O-N 3.13Å |
| 288 | E | 67 | Low | 71 | Confident | 138 Ų | 138 | 99.7 Ų | 99.7 | 65% | 0.645 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -85 | -36.1 | -175.9 | -71.4 | 166 | -170.8 | 0 | 0 | 111.7 | R284 R285 H290 | R284-E288 WeakPolarHBondContact O-CG 3.22Å; R284-E288 PolarHBondContact O-N 3.44Å; R285-E288 PolarHBondContact O-N 2.94Å; E288-H290 VanDerWaalsContact C-N 3.32Å; E288-H290 PolarHBondContact O-N 2.88Å |
| 289 | E | 61.5 | Low | 70.9 | Confident | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | trans | -85 | 68.6 | -178.1 | -67.1 | 175.5 | 127.3 | 0 | 0 | 111.7 | R285 E291 M292 | R285-E289 PolarHBondContact O-N 3.39Å; E289-E291 PolarHBondContact O-N 2.99Å; E289-M292 HydrophobicContact CB-CE 3.78Å; E289-M292 HydrophobicContact CB-CG 4.02Å; E289-M292 HydrophobicContact CB-SD 4.17Å; E289-M292 PolarHBondContact O-N 3.37Å | ||
| 290 | H | 55.4 | Low | 70.5 | Confident | 180 Ų | 180 | 101.9 Ų | 101.9 | 83% | 0.833 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 0.9 | -175.6 | -150.6 | 70.5 | 0 | 0 | 0 | 115.3 | E288 | E288-H290 VanDerWaalsContact C-N 3.32Å; E288-H290 PolarHBondContact O-N 2.88Å |
| 291 | E | 56.1 | Low | 70.4 | Confident | 196 Ų | 196 | 100.7 Ų | 100.7 | 92% | 0.916 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 7.2 | -177.3 | -60 | -171.9 | 145 | 0 | 0 | 113.4 | E289 | E289-E291 PolarHBondContact O-N 2.99Š|
| 292 | M | 57.7 | Low | 70.4 | Confident | 48 Ų | 48 | 103.1 Ų | 103.1 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | trans | -66.6 | 146.1 | 177.9 | -83.8 | -171.5 | -58 | 0 | 0 | 113.6 | E289 E296 L300 | E289-M292 HydrophobicContact CB-CE 3.78Å; E289-M292 HydrophobicContact CB-CG 4.02Å; E289-M292 HydrophobicContact CB-SD 4.17Å; E289-M292 PolarHBondContact O-N 3.37Å; M292-E296 HydrophobicContact SD-CB 4.31Å; M292-L300 HydrophobicContact CE-CD1 3.66Å; M292-L300 HydrophobicContact SD-CD1 3.66Å | ||
| 293 | D | 64 | Low | 70.4 | Confident | 107 Ų | 107 | 106.2 Ų | 106.2 | 57% | 0.572 | 50% | 0.496 | S | S | * | . | trans | -68.6 | 148.2 | 172 | -152.5 | -10.7 | 0 | 0 | 0 | 110.7 | N295 E296 K297 | D293-N295 PolarHBondContact O-N 2.84Å; D293-N295 VanDerWaalsContact O-N 3.13Å; D293-E296 PolarHBondContact O-N 2.93Å; D293-K297 PolarHBondContact O-N 2.75Å | ||
| 294 | I | 68.9 | Low | 70.7 | Confident | 120 Ų | 120 | 106.2 Ų | 106.2 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58 | -38.5 | -169.1 | -63.3 | 174.8 | 0 | 0 | 0 | 111.3 | E296 K297 E298 | I294-E296 VanDerWaalsContact C-N 3.25Å; I294-E296 PolarHBondContact O-N 3.15Å; I294-K297 PolarHBondContact O-N 2.86Å; I294-E298 HydrophobicContact CG2-CG 4.45Å; I294-E298 PolarHBondContact O-N 2.92Å |
| 295 | N | 70.8 | Confident | 71 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -18.8 | 178.8 | -65.7 | -46.1 | 0 | 0 | 0 | 114.5 | D293 K299 | D293-N295 PolarHBondContact O-N 2.84Å; D293-N295 VanDerWaalsContact O-N 3.13Å; N295-K299 VanDerWaalsContact O-CD 3.29Å; N295-K299 WeakPolarHBondContact O-CD 3.44Å; N295-K299 WeakPolarHBondContact O-CE 3.32Å; N295-K299 VanDerWaalsContact O-CG 3.27Å; N295-K299 WeakPolarHBondContact O-CG 3.4Å |
| 296 | E | 67.4 | Low | 71.4 | Confident | 105 Ų | 105 | 109 Ų | 109 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -90.6 | -38 | 176.4 | -59.4 | -163.2 | 130 | 0 | 0 | 110.5 | M292 D293 I294 K299 L300 | M292-E296 HydrophobicContact SD-CB 4.31Å; D293-E296 PolarHBondContact O-N 2.93Å; I294-E296 VanDerWaalsContact C-N 3.25Å; I294-E296 PolarHBondContact O-N 3.15Å; E296-K299 PolarHBondContact O-N 2.88Å; E296-L300 PolarHBondContact O-N 2.87Å |
| 297 | K | 67.7 | Low | 71.9 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 40% | 0.404 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 171.2 | -167.8 | 176.4 | 179.9 | -72.5 | 0 | 112.3 | L286 D293 I294 K299 L300 E301 | L286-K297 HydrophobicContact CD1-CG 3.71Å; D293-K297 PolarHBondContact O-N 2.75Å; I294-K297 PolarHBondContact O-N 2.86Å; K297-K299 PolarHBondContact O-N 3.48Å; K297-L300 PolarHBondContact O-N 3.25Å; K297-E301 IonicContact NZ-OE1 2.65Å; K297-E301 PolarHBondContact NZ-OE1 3.41Å; K297-E301 PolarHBondContact O-N 2.88Å |
| 298 | E | 77.4 | Confident | 72.5 | Confident | 118 Ų | 118 | 107.6 Ų | 107.6 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 177.5 | -74.4 | -172.8 | 160.8 | 0 | 0 | 112.6 | I294 E301 E302 | I294-E298 HydrophobicContact CG2-CG 4.45Å; I294-E298 PolarHBondContact O-N 2.92Å; E298-E301 PolarHBondContact O-N 2.89Å; E298-E302 WeakPolarHBondContact O-CB 3.39Å; E298-E302 PolarHBondContact O-N 3.26Å |
| 299 | K | 79.8 | Confident | 73.4 | Confident | 130 Ų | 130 | 106.5 Ų | 106.5 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 175.3 | -72.5 | 168.5 | -168.4 | 163.3 | 0 | 112.1 | N295 E296 K297 E301 E302 E303 | N295-K299 VanDerWaalsContact O-CD 3.29Å; N295-K299 WeakPolarHBondContact O-CD 3.44Å; N295-K299 WeakPolarHBondContact O-CE 3.32Å; N295-K299 VanDerWaalsContact O-CG 3.27Å; N295-K299 WeakPolarHBondContact O-CG 3.4Å; E296-K299 PolarHBondContact O-N 2.88Å; K297-K299 PolarHBondContact O-N 3.48Å; K299-E301 VanDerWaalsContact C-N 3.34Å; K299-E302 PolarHBondContact O-N 3.44Å; K299-E303 WeakPolarHBondContact O-CB 3.46Å; K299-E303 PolarHBondContact O-N 2.86Å |
| 300 | L | 73.7 | Confident | 74.4 | Confident | 33 Ų | 33 | 105.8 Ų | 105.8 | 17% | 0.173 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 177.7 | -73.2 | 170.4 | 0 | 0 | 0 | 111.6 | L286 M292 E296 K297 E303 I304 | L286-L300 HydrophobicContact CD1-CB 3.99Å; M292-L300 HydrophobicContact CE-CD1 3.66Å; M292-L300 HydrophobicContact SD-CD1 3.66Å; E296-L300 PolarHBondContact O-N 2.87Å; K297-L300 PolarHBondContact O-N 3.25Å; L300-E303 PolarHBondContact O-N 3.29Å; L300-I304 WeakPolarHBondContact O-CB 3.43Å; L300-I304 WeakPolarHBondContact O-CD1 3.5Å; L300-I304 VanDerWaalsContact O-CG1 3.22Å; L300-I304 WeakPolarHBondContact O-CG1 3.39Å; L300-I304 PolarHBondContact O-N 3.43Å |
| 301 | E | 78.1 | Confident | 75.8 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 173.1 | -76.2 | 177.4 | -170.6 | 0 | 0 | 112.5 | L286 K297 E298 K299 R305 | L286-E301 HydrophobicContact CD1-CG 4.02Å; L286-E301 HydrophobicContact CD2-CG 3.61Å; L286-E301 HydrophobicContact CG-CG 4.45Å; K297-E301 IonicContact NZ-OE1 2.65Å; K297-E301 PolarHBondContact NZ-OE1 3.41Å; K297-E301 PolarHBondContact O-N 2.88Å; E298-E301 PolarHBondContact O-N 2.89Å; K299-E301 VanDerWaalsContact C-N 3.34Å; E301-R305 VanDerWaalsContact O-CB 3.23Å; E301-R305 WeakPolarHBondContact O-CB 3.33Å; E301-R305 PolarHBondContact O-N 3.16Å |
| 302 | E | 82 | Confident | 77.2 | Confident | 138 Ų | 138 | 91.1 Ų | 91.1 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -68.3 | -39 | 174.9 | -170.5 | 167.5 | -129.5 | 0 | 0 | 112.3 | E298 K299 R305 K306 | E298-E302 WeakPolarHBondContact O-CB 3.39Å; E298-E302 PolarHBondContact O-N 3.26Å; K299-E302 PolarHBondContact O-N 3.44Å; E302-R305 PolarHBondContact O-N 2.89Å; E302-K306 WeakPolarHBondContact O-CB 3.48Å; E302-K306 PolarHBondContact O-N 3.43Å |
| 303 | E | 80.3 | Confident | 78.5 | Confident | 87 Ų | 87 | 91.9 Ų | 91.9 | 41% | 0.407 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.9 | -34.1 | 177.7 | -144 | -164.8 | 141.6 | 0 | 0 | 112.6 | K299 L300 R307 | K299-E303 WeakPolarHBondContact O-CB 3.46Å; K299-E303 PolarHBondContact O-N 2.86Å; L300-E303 PolarHBondContact O-N 3.29Å; E303-R307 PolarHBondContact O-N 2.68Å; E303-R307 IonicContact OE1-CZ 3.82Å; E303-R307 IonicContact OE1-NH1 3.31Å; E303-R307 PolarHBondContact OE1-NH1 3.43Å; E303-R307 IonicContact OE1-NH2 3.08Å; E303-R307 PolarHBondContact OE1-NH2 2.73Å |
| 304 | I | 81.8 | Confident | 79.4 | Confident | 17 Ų | 17 | 88.2 Ų | 88.2 | 9% | 0.087 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -54.8 | 169 | -75.4 | 163.7 | 0 | 0 | 0 | 109.7 | V279 L282 L286 L300 K306 R307 E308 | V279-I304 HydrophobicContact CG1-CG2 4.26Å; L282-I304 HydrophobicContact CB-CD1 4.01Å; L282-I304 HydrophobicContact CB-CG1 3.75Å; L286-I304 HydrophobicContact CB-CD1 4.43Å; L286-I304 HydrophobicContact CD2-CD1 3.88Å; L300-I304 WeakPolarHBondContact O-CB 3.43Å; L300-I304 WeakPolarHBondContact O-CD1 3.5Å; L300-I304 VanDerWaalsContact O-CG1 3.22Å; L300-I304 WeakPolarHBondContact O-CG1 3.39Å; L300-I304 PolarHBondContact O-N 3.43Å; I304-K306 PolarHBondContact O-N 3.13Å; I304-R307 CarbonylContact O-C 3.59Å; I304-R307 PolarHBondContact O-N 2.95Å; I304-E308 HydrophobicContact CG2-CG 4.21Å; I304-E308 WeakPolarHBondContact O-CG 3.46Å; I304-E308 PolarHBondContact O-N 3.45Å |
| 305 | R | 84.1 | Confident | 80.2 | Confident | 166 Ų | 166 | 88.6 Ų | 88.6 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -56.2 | -36.6 | -179.6 | -179.2 | -178.2 | 174.2 | -152.3 | -2.2 | 112.2 | E301 E302 L309 | E301-R305 VanDerWaalsContact O-CB 3.23Å; E301-R305 WeakPolarHBondContact O-CB 3.33Å; E301-R305 PolarHBondContact O-N 3.16Å; E302-R305 PolarHBondContact O-N 2.89Å; R305-L309 WeakPolarHBondContact O-CG 3.42Å; R305-L309 PolarHBondContact O-N 2.84Å |
| 306 | K | 85.2 | Confident | 80.9 | Confident | 126 Ų | 126 | 89.5 Ų | 89.5 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.3 | -49 | 174.1 | -169.2 | -171.9 | 177.8 | -136.9 | 0 | 111.8 | E302 I304 E308 L309 E310 | E302-K306 WeakPolarHBondContact O-CB 3.48Å; E302-K306 PolarHBondContact O-N 3.43Å; I304-K306 PolarHBondContact O-N 3.13Å; K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 2.9Å; K306-L309 PolarHBondContact O-N 2.85Å; K306-E310 WeakPolarHBondContact CE-OE1 3.34Å; K306-E310 IonicContact NZ-OE1 2.66Å; K306-E310 PolarHBondContact NZ-OE1 3.5Å; K306-E310 VanDerWaalsContact NZ-OE1 3.08Å; K306-E310 WeakPolarHBondContact O-CG 3.47Å; K306-E310 PolarHBondContact O-N 3.17Å |
| 307 | R | 81.8 | Confident | 81.7 | Confident | 69 Ų | 69 | 90.1 Ų | 90.1 | 26% | 0.26 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 176.8 | -74.4 | -168.9 | -177.4 | 77.9 | 2.9 | 112.8 | V279 L282 E303 I304 L309 E310 I311 | V279-R307 HydrophobicContact CG2-CB 3.41Å; V279-R307 VanDerWaalsContact CG2-CB 3.41Å; V279-R307 HydrophobicContact CG2-CG 4.3Å; L282-R307 VanDerWaalsContact CD1-NH1 3.3Å; E303-R307 PolarHBondContact O-N 2.68Å; E303-R307 IonicContact OE1-CZ 3.82Å; E303-R307 IonicContact OE1-NH1 3.31Å; E303-R307 PolarHBondContact OE1-NH1 3.43Å; E303-R307 IonicContact OE1-NH2 3.08Å; E303-R307 PolarHBondContact OE1-NH2 2.73Å; I304-R307 CarbonylContact O-C 3.59Å; I304-R307 PolarHBondContact O-N 2.95Å; R307-L309 VanDerWaalsContact C-N 3.35Å; R307-E310 PolarHBondContact O-N 3.33Å; R307-I311 WeakPolarHBondContact O-CB 3.46Å; R307-I311 VanDerWaalsContact O-CG1 3.27Å; R307-I311 WeakPolarHBondContact O-CG1 3.42Å; R307-I311 PolarHBondContact O-N 3.26Å |
| 308 | E | 82 | Confident | 82.5 | Confident | 105 Ų | 105 | 86.4 Ų | 86.4 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 173.7 | -72.9 | -178.2 | 151.2 | 0 | 0 | 112.2 | V279 I304 K306 I311 A312 | V279-E308 HydrophobicContact CG1-CG 4.05Å; I304-E308 HydrophobicContact CG2-CG 4.21Å; I304-E308 WeakPolarHBondContact O-CG 3.46Å; I304-E308 PolarHBondContact O-N 3.45Å; K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 2.9Å; E308-I311 PolarHBondContact O-N 3.01Å; E308-A312 WeakPolarHBondContact O-CB 3.23Å; E308-A312 PolarHBondContact O-N 3.22Å |
| 309 | L | 85.4 | Confident | 82.8 | Confident | 115 Ų | 115 | 84.4 Ų | 84.4 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.6 | -40.8 | 173.7 | -71.2 | 166.9 | 0 | 0 | 0 | 112.1 | R305 K306 R307 A312 S313 | R305-L309 WeakPolarHBondContact O-CG 3.42Å; R305-L309 PolarHBondContact O-N 2.84Å; K306-L309 PolarHBondContact O-N 2.85Å; R307-L309 VanDerWaalsContact C-N 3.35Å; L309-A312 PolarHBondContact O-N 3.26Å; L309-S313 PolarHBondContact O-N 2.9Å; L309-S313 VanDerWaalsContact O-N 3.12Å |
| 310 | E | 82.2 | Confident | 83 | Confident | 87 Ų | 87 | 83 Ų | 83 | 41% | 0.407 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 174.3 | -68.9 | 171.2 | -171.9 | 0 | 0 | 111 | K306 R307 S313 V314 | K306-E310 WeakPolarHBondContact CE-OE1 3.34Å; K306-E310 IonicContact NZ-OE1 2.66Å; K306-E310 PolarHBondContact NZ-OE1 3.5Å; K306-E310 VanDerWaalsContact NZ-OE1 3.08Å; K306-E310 WeakPolarHBondContact O-CG 3.47Å; K306-E310 PolarHBondContact O-N 3.17Å; R307-E310 PolarHBondContact O-N 3.33Å; E310-S313 PolarHBondContact O-N 2.83Å; E310-V314 WeakPolarHBondContact O-CG2 3.43Å; E310-V314 PolarHBondContact O-N 2.83Å; E310-V314 VanDerWaalsContact O-N 3.08Å |
| 311 | I | 85 | Confident | 83.4 | Confident | 12 Ų | 12 | 85.3 Ų | 85.3 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 172.7 | -76.4 | 166.7 | 0 | 0 | 0 | 111.7 | L272 R275 E276 V279 R307 E308 S313 V314 R315 | L272-I311 HydrophobicContact CD1-CG2 4.08Å; R275-I311 HydrophobicContact CB-CD1 4.11Å; R275-I311 HydrophobicContact CB-CG1 3.89Å; E276-I311 HydrophobicContact CG-CD1 4.11Å; E276-I311 HydrophobicContact CG-CG2 4.06Å; V279-I311 HydrophobicContact CB-CD1 4.14Å; V279-I311 HydrophobicContact CG2-CD1 3.57Å; R307-I311 WeakPolarHBondContact O-CB 3.46Å; R307-I311 VanDerWaalsContact O-CG1 3.27Å; R307-I311 WeakPolarHBondContact O-CG1 3.42Å; R307-I311 PolarHBondContact O-N 3.26Å; E308-I311 PolarHBondContact O-N 3.01Å; I311-S313 VanDerWaalsContact C-N 3.34Å; I311-S313 PolarHBondContact O-N 3.48Å; I311-V314 PolarHBondContact O-N 3.06Å; I311-R315 HydrophobicContact CG2-CG 4.36Å; I311-R315 WeakPolarHBondContact O-CB 3.39Å; I311-R315 VanDerWaalsContact O-CG 3.3Å; I311-R315 WeakPolarHBondContact O-CG 3.41Å; I311-R315 PolarHBondContact O-N 3.33Å |
| 312 | A | 85.2 | Confident | 83.6 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E308 L309 Q316 | E308-A312 WeakPolarHBondContact O-CB 3.23Å; E308-A312 PolarHBondContact O-N 3.22Å; L309-A312 PolarHBondContact O-N 3.26Å; A312-Q316 PolarHBondContact O-N 3.09Å |
| 313 | S | 85.3 | Confident | 83.7 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 174.4 | -162.3 | 0 | 0 | 0 | 0 | 111.6 | L309 E310 I311 R315 Q316 E317 | L309-S313 PolarHBondContact O-N 2.9Å; L309-S313 VanDerWaalsContact O-N 3.12Å; E310-S313 PolarHBondContact O-N 2.83Å; I311-S313 VanDerWaalsContact C-N 3.34Å; I311-S313 PolarHBondContact O-N 3.48Å; S313-R315 VanDerWaalsContact C-N 3.29Å; S313-R315 PolarHBondContact O-N 2.95Å; S313-Q316 WeakPolarHBondContact O-CB 3.15Å; S313-Q316 PolarHBondContact O-N 3.49Å; S313-E317 PolarHBondContact O-N 2.8Å; S313-E317 VanDerWaalsContact O-N 3.07Å |
| 314 | V | 83.7 | Confident | 83.8 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.2 | -33.9 | 179.9 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | L272 E310 I311 E317 I318 | L272-V314 HydrophobicContact CB-CG1 4.45Å; L272-V314 HydrophobicContact CD1-CB 4.45Å; L272-V314 HydrophobicContact CD1-CG1 4.13Å; E310-V314 WeakPolarHBondContact O-CG2 3.43Å; E310-V314 PolarHBondContact O-N 2.83Å; E310-V314 VanDerWaalsContact O-N 3.08Å; I311-V314 PolarHBondContact O-N 3.06Å; V314-E317 PolarHBondContact O-N 2.91Å; V314-I318 HydrophobicContact CG1-CD1 3.81Å; V314-I318 HydrophobicContact CG1-CG1 4.45Å; V314-I318 WeakPolarHBondContact O-CB 3.25Å; V314-I318 WeakPolarHBondContact O-CG1 3.33Å; V314-I318 PolarHBondContact O-N 2.7Å |
| 315 | R | 84.7 | Confident | 83.8 | Confident | 128 Ų | 128 | 80 Ų | 80 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 171.6 | -80 | 173.4 | 170.3 | -167.6 | -5.7 | 112.6 | L272 E276 I311 S313 S319 | L272-R315 HydrophobicContact CD1-CG 3.86Å; L272-R315 HydrophobicContact CD2-CG 3.71Å; L272-R315 HydrophobicContact CG-CG 4.43Å; E276-R315 IonicContact OE1-CZ 3.18Å; E276-R315 IonicContact OE1-NE 3.95Å; E276-R315 PolarHBondContact OE1-NE 2.88Å; E276-R315 IonicContact OE1-NH2 3.57Å; E276-R315 PolarHBondContact OE1-NH2 3.28Å; E276-R315 IonicContact OE2-CZ 2.68Å; E276-R315 IonicContact OE2-NH2 3.38Å; E276-R315 PolarHBondContact OE2-NH2 3.45Å; I311-R315 HydrophobicContact CG2-CG 4.36Å; I311-R315 WeakPolarHBondContact O-CB 3.39Å; I311-R315 VanDerWaalsContact O-CG 3.3Å; I311-R315 WeakPolarHBondContact O-CG 3.41Å; I311-R315 PolarHBondContact O-N 3.33Å; S313-R315 VanDerWaalsContact C-N 3.29Å; S313-R315 PolarHBondContact O-N 2.95Å; R315-S319 WeakPolarHBondContact O-CB 3.49Å; R315-S319 PolarHBondContact O-N 2.98Å |
| 316 | Q | 86 | Confident | 83.8 | Confident | 122 Ų | 122 | 78.9 Ų | 78.9 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.7 | -48 | 174.9 | -175 | -179.3 | -32 | 0 | 0 | 111 | A312 S313 I318 S319 E320 | A312-Q316 PolarHBondContact O-N 3.09Å; S313-Q316 WeakPolarHBondContact O-CB 3.15Å; S313-Q316 PolarHBondContact O-N 3.49Å; Q316-I318 VanDerWaalsContact C-N 3.3Å; Q316-I318 PolarHBondContact O-N 2.67Å; Q316-S319 WeakPolarHBondContact O-CA 3.36Å; Q316-S319 WeakPolarHBondContact O-CB 3.46Å; Q316-S319 PolarHBondContact O-N 3.4Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.27Å; Q316-E320 PolarHBondContact NE2-OE1 3.19Å; Q316-E320 PolarHBondContact O-N 2.86Å |
| 317 | E | 84.1 | Confident | 83.7 | Confident | 117 Ų | 117 | 81 Ų | 81 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.3 | -41 | 177.8 | -70.4 | 177.6 | -153.1 | 0 | 0 | 112.3 | S313 V314 E320 K321 | S313-E317 PolarHBondContact O-N 2.8Å; S313-E317 VanDerWaalsContact O-N 3.07Å; V314-E317 PolarHBondContact O-N 2.91Å; E317-E320 PolarHBondContact O-N 2.89Å; E317-K321 PolarHBondContact O-N 3.32Å |
| 318 | I | 85.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 173.9 | -70.9 | 166.6 | 0 | 0 | 0 | 110.3 | A268 Q269 L272 V314 Q316 E320 K321 D322 | A268-I318 HydrophobicContact CB-CD1 4.09Å; A268-I318 HydrophobicContact CB-CG1 3.93Å; A268-I318 WeakPolarHBondContact O-CD1 3.41Å; Q269-I318 HydrophobicContact CG-CG2 3.93Å; L272-I318 HydrophobicContact CB-CD1 3.67Å; L272-I318 HydrophobicContact CD2-CD1 3.75Å; L272-I318 HydrophobicContact CG-CD1 4.22Å; V314-I318 HydrophobicContact CG1-CD1 3.81Å; V314-I318 HydrophobicContact CG1-CG1 4.45Å; V314-I318 WeakPolarHBondContact O-CB 3.25Å; V314-I318 WeakPolarHBondContact O-CG1 3.33Å; V314-I318 PolarHBondContact O-N 2.7Å; Q316-I318 VanDerWaalsContact C-N 3.3Å; Q316-I318 PolarHBondContact O-N 2.67Å; I318-E320 VanDerWaalsContact C-N 3.29Å; I318-E320 PolarHBondContact O-N 3.23Å; I318-K321 CarbonylContact O-C 3.58Å; I318-K321 PolarHBondContact O-N 3.12Å; I318-D322 WeakPolarHBondContact O-CB 3.44Å; I318-D322 PolarHBondContact O-N 3.3Å |
| 319 | S | 84.2 | Confident | 83.4 | Confident | 77 Ų | 77 | 79 Ų | 79 | 54% | 0.538 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 176.8 | -169 | 0 | 0 | 0 | 0 | 112.9 | R315 Q316 D322 A323 | R315-S319 WeakPolarHBondContact O-CB 3.49Å; R315-S319 PolarHBondContact O-N 2.98Å; Q316-S319 WeakPolarHBondContact O-CA 3.36Å; Q316-S319 WeakPolarHBondContact O-CB 3.46Å; Q316-S319 PolarHBondContact O-N 3.4Å; S319-D322 WeakPolarHBondContact O-CB 3.45Å; S319-D322 PolarHBondContact O-N 3.09Å; S319-A323 PolarHBondContact O-N 2.78Å; S319-A323 VanDerWaalsContact O-N 3.09Å |
| 320 | E | 84.1 | Confident | 83.4 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71 | -40.7 | 175.2 | -69.7 | 179.7 | -154 | 0 | 0 | 111.9 | Q316 E317 I318 A323 Q324 | Q316-E320 WeakPolarHBondContact CG-OE1 3.27Å; Q316-E320 PolarHBondContact NE2-OE1 3.19Å; Q316-E320 PolarHBondContact O-N 2.86Å; E317-E320 PolarHBondContact O-N 2.89Å; I318-E320 VanDerWaalsContact C-N 3.29Å; I318-E320 PolarHBondContact O-N 3.23Å; E320-A323 PolarHBondContact O-N 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.34Å; E320-Q324 PolarHBondContact O-N 3.01Å |
| 321 | K | 81.7 | Confident | 83.2 | Confident | 82 Ų | 82 | 81.4 Ų | 81.4 | 36% | 0.357 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 171 | -74.9 | -164.9 | 172.6 | -160.8 | 0 | 112.6 | E264 L265 E317 I318 Q324 T325 | E264-K321 IonicContact OE2-NZ 2.72Å; E264-K321 PolarHBondContact OE2-NZ 3.39Å; L265-K321 HydrophobicContact CD1-CB 4.13Å; E317-K321 PolarHBondContact O-N 3.32Å; I318-K321 CarbonylContact O-C 3.58Å; I318-K321 PolarHBondContact O-N 3.12Å; K321-Q324 PolarHBondContact O-N 3.34Å; K321-T325 VanDerWaalsContact O-CB 3.32Å; K321-T325 WeakPolarHBondContact O-CB 3.37Å; K321-T325 PolarHBondContact O-N 2.64Å; K321-T325 PolarHBondContact O-OG1 2.95Å |
| 322 | D | 80.8 | Confident | 83 | Confident | 33 Ų | 33 | 81.2 Ų | 81.2 | 18% | 0.176 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 173.9 | -121.3 | -75.4 | 0 | 0 | 0 | 110.7 | L265 Q269 I318 S319 T325 R326 | L265-D322 HydrophobicContact CD1-CB 4.18Å; Q269-D322 PolarHBondContact NE2-OD2 2.93Å; I318-D322 WeakPolarHBondContact O-CB 3.44Å; I318-D322 PolarHBondContact O-N 3.3Å; S319-D322 WeakPolarHBondContact O-CB 3.45Å; S319-D322 PolarHBondContact O-N 3.09Å; D322-T325 PolarHBondContact O-N 2.9Å; D322-R326 WeakPolarHBondContact O-CG 3.45Å; D322-R326 PolarHBondContact O-N 2.86Å; D322-R326 IonicContact OD1-CZ 3.14Å; D322-R326 IonicContact OD1-NE 2.6Å; D322-R326 PolarHBondContact OD1-NE 2.86Å; D322-R326 IonicContact OD1-NH2 3.07Å; D322-R326 PolarHBondContact OD1-NH2 3.11Å |
| 323 | A | 85.3 | Confident | 82.8 | Confident | 50 Ų | 50 | 85.7 Ų | 85.7 | 41% | 0.413 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S319 E320 | S319-A323 PolarHBondContact O-N 2.78Å; S319-A323 VanDerWaalsContact O-N 3.09Å; E320-A323 PolarHBondContact O-N 3.47Å |
| 324 | Q | 82.5 | Confident | 82.5 | Confident | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.2 | -42.6 | 173.4 | -68.7 | 175.6 | 24.5 | 0 | 0 | 111.7 | E320 K321 R326 R327 L328 | E320-Q324 WeakPolarHBondContact O-CG 3.34Å; E320-Q324 PolarHBondContact O-N 3.01Å; K321-Q324 PolarHBondContact O-N 3.34Å; Q324-R326 VanDerWaalsContact C-N 3.32Å; Q324-R326 PolarHBondContact O-N 2.88Å; Q324-R327 PolarHBondContact O-N 2.85Å; Q324-L328 PolarHBondContact O-N 3.08Å; Q324-L328 VanDerWaalsContact O-N 3.14Å |
| 325 | T | 82.1 | Confident | 82.2 | Confident | 9 Ų | 9 | 86 Ų | 86 | 6% | 0.055 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.9 | -35 | -179 | -57.1 | 0 | 0 | 0 | 0 | 112 | L262 K321 D322 L328 Q329 | L262-T325 HydrophobicContact CD2-CG2 3.54Å; L262-T325 HydrophobicContact CG-CG2 3.93Å; K321-T325 VanDerWaalsContact O-CB 3.32Å; K321-T325 WeakPolarHBondContact O-CB 3.37Å; K321-T325 PolarHBondContact O-N 2.64Å; K321-T325 PolarHBondContact O-OG1 2.95Å; D322-T325 PolarHBondContact O-N 2.9Å; T325-L328 PolarHBondContact O-N 2.99Å; T325-Q329 WeakPolarHBondContact O-CG 3.2Å; T325-Q329 PolarHBondContact O-N 3.41Å |
| 326 | R | 83 | Confident | 81.9 | Confident | 142 Ų | 142 | 86.2 Ų | 86.2 | 54% | 0.536 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 173.7 | -70.6 | 172.5 | -151.8 | -158.2 | 3.9 | 113.3 | D322 Q324 L328 Q329 E330 | D322-R326 WeakPolarHBondContact O-CG 3.45Å; D322-R326 PolarHBondContact O-N 2.86Å; D322-R326 IonicContact OD1-CZ 3.14Å; D322-R326 IonicContact OD1-NE 2.6Å; D322-R326 PolarHBondContact OD1-NE 2.86Å; D322-R326 IonicContact OD1-NH2 3.07Å; D322-R326 PolarHBondContact OD1-NH2 3.11Å; Q324-R326 VanDerWaalsContact C-N 3.32Å; Q324-R326 PolarHBondContact O-N 2.88Å; R326-L328 VanDerWaalsContact C-N 3.33Å; R326-L328 PolarHBondContact O-N 3.4Å; R326-Q329 WeakPolarHBondContact O-CB 3.02Å; R326-Q329 PolarHBondContact O-N 3.1Å; R326-Q329 VanDerWaalsContact O-N 3.13Å; R326-E330 PolarHBondContact O-N 2.96Å |
| 327 | R | 82.9 | Confident | 81.6 | Confident | 170 Ų | 170 | 86.5 Ų | 86.5 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 173.8 | -66.4 | 178.1 | -177 | 177.9 | 2 | 111.5 | Q324 Q329 E330 E331 | Q324-R327 PolarHBondContact O-N 2.85Å; R327-Q329 VanDerWaalsContact C-N 3.29Å; R327-Q329 PolarHBondContact O-N 3.01Å; R327-E330 PolarHBondContact O-N 3.24Å; R327-E331 PolarHBondContact O-N 3.02Å |
| 328 | L | 79.8 | Confident | 81.2 | Confident | 50 Ų | 50 | 87.2 Ų | 87.2 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -32 | 173.3 | -66.4 | 172.1 | 0 | 0 | 0 | 112.2 | L258 Q324 T325 R326 V332 | L258-L328 HydrophobicContact CD1-CB 4.03Å; L258-L328 VanDerWaalsContact CD1-O 3.3Å; L258-L328 WeakPolarHBondContact CD1-O 3.18Å; Q324-L328 PolarHBondContact O-N 3.08Å; Q324-L328 VanDerWaalsContact O-N 3.14Å; T325-L328 PolarHBondContact O-N 2.99Å; R326-L328 VanDerWaalsContact C-N 3.33Å; R326-L328 PolarHBondContact O-N 3.4Å; L328-V332 WeakPolarHBondContact O-CB 3.39Å; L328-V332 WeakPolarHBondContact O-CG2 3.35Å; L328-V332 PolarHBondContact O-N 2.9Å |
| 329 | Q | 79.2 | Confident | 80.6 | Confident | 82 Ų | 82 | 88.9 Ų | 88.9 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 172.8 | -74.6 | 169.4 | -27.4 | 0 | 0 | 111.2 | L258 T325 R326 R327 E331 V332 E333 | L258-Q329 VanDerWaalsContact CD1-CA 3.43Å; L258-Q329 HydrophobicContact CD1-CB 4.12Å; L258-Q329 HydrophobicContact CD1-CG 3.59Å; T325-Q329 WeakPolarHBondContact O-CG 3.2Å; T325-Q329 PolarHBondContact O-N 3.41Å; R326-Q329 WeakPolarHBondContact O-CB 3.02Å; R326-Q329 PolarHBondContact O-N 3.1Å; R326-Q329 VanDerWaalsContact O-N 3.13Å; R327-Q329 VanDerWaalsContact C-N 3.29Å; R327-Q329 PolarHBondContact O-N 3.01Å; Q329-E331 PolarHBondContact O-N 2.91Å; Q329-V332 PolarHBondContact O-N 2.67Å; Q329-V332 VanDerWaalsContact O-N 3.17Å; Q329-E333 PolarHBondContact O-N 3.34Å |
| 330 | E | 83.6 | Confident | 80.2 | Confident | 134 Ų | 134 | 91.7 Ų | 91.7 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.8 | -46.4 | 175.2 | -66.6 | 166.3 | 177.4 | 0 | 0 | 111.5 | R326 R327 V332 E333 E334 | R326-E330 PolarHBondContact O-N 2.96Å; R327-E330 PolarHBondContact O-N 3.24Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 2.7Å; E330-E333 PolarHBondContact O-N 2.9Å; E330-E334 PolarHBondContact O-N 3.45Å |
| 331 | E | 79.4 | Confident | 79.8 | Confident | 118 Ų | 118 | 91.7 Ų | 91.7 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | 175 | -73 | -178.9 | -169.1 | 0 | 0 | 113.1 | R327 Q329 A335 | R327-E331 PolarHBondContact O-N 3.02Å; Q329-E331 PolarHBondContact O-N 2.91Å; E331-A335 WeakPolarHBondContact O-CB 3.34Å; E331-A335 PolarHBondContact O-N 3.29Å |
| 332 | V | 80 | Confident | 79.3 | Confident | 9 Ų | 9 | 88.3 Ų | 88.3 | 6% | 0.055 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -79.4 | -32.1 | 179.5 | 164.2 | 0 | 0 | 0 | 0 | 113 | I255 L258 L328 Q329 E330 E334 A335 R336 | I255-V332 HydrophobicContact CG1-CG1 3.86Å; L258-V332 HydrophobicContact CB-CG2 3.76Å; L258-V332 HydrophobicContact CD1-CB 4.07Å; L258-V332 HydrophobicContact CD1-CG2 3.96Å; L258-V332 HydrophobicContact CD2-CG1 4.27Å; L258-V332 HydrophobicContact CD2-CG2 4.42Å; L258-V332 HydrophobicContact CG-CG2 4.27Å; L328-V332 WeakPolarHBondContact O-CB 3.39Å; L328-V332 WeakPolarHBondContact O-CG2 3.35Å; L328-V332 PolarHBondContact O-N 2.9Å; Q329-V332 PolarHBondContact O-N 2.67Å; Q329-V332 VanDerWaalsContact O-N 3.17Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 2.7Å; V332-E334 VanDerWaalsContact C-N 3.34Å; V332-A335 PolarHBondContact O-N 2.92Å; V332-R336 HydrophobicContact CG1-CG 4.39Å; V332-R336 WeakPolarHBondContact O-CB 3.43Å; V332-R336 WeakPolarHBondContact O-CG 3.44Å; V332-R336 PolarHBondContact O-N 3.44Å |
| 333 | E | 81.1 | Confident | 78.8 | Confident | 149 Ų | 149 | 90.5 Ų | 90.5 | 70% | 0.696 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 170.9 | -72.2 | -167.5 | 168.6 | 0 | 0 | 111 | Q329 E330 R336 R337 | Q329-E333 PolarHBondContact O-N 3.34Å; E330-E333 PolarHBondContact O-N 2.9Å; E333-R336 PolarHBondContact O-N 3.05Å; E333-R337 PolarHBondContact O-N 2.88Å; E333-R337 VanDerWaalsContact O-N 3.09Å |
| 334 | E | 80.2 | Confident | 78.2 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 43% | 0.425 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 169.6 | -74.8 | -145.4 | 168.4 | 0 | 0 | 112.7 | E330 V332 R336 R337 R338 | E330-E334 PolarHBondContact O-N 3.45Å; V332-E334 VanDerWaalsContact C-N 3.34Å; E334-R336 VanDerWaalsContact C-N 3.3Å; E334-R336 PolarHBondContact O-N 3.15Å; E334-R337 PolarHBondContact O-N 2.96Å; E334-R338 WeakPolarHBondContact O-CG 3.22Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 IonicContact OE2-CZ 2.63Å; E334-R338 IonicContact OE2-NE 2.92Å; E334-R338 IonicContact OE2-NH2 2.7Å; E334-R338 PolarHBondContact OE2-NH2 3.02Å |
| 335 | A | 77.6 | Confident | 77.5 | Confident | 10 Ų | 10 | 90.5 Ų | 90.5 | 8% | 0.083 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A251 E331 V332 Q339 | A251-A335 HydrophobicContact CB-CB 4.06Å; E331-A335 WeakPolarHBondContact O-CB 3.34Å; E331-A335 PolarHBondContact O-N 3.29Å; V332-A335 PolarHBondContact O-N 2.92Å; A335-Q339 WeakPolarHBondContact O-CB 3.45Å; A335-Q339 PolarHBondContact O-N 2.91Å |
| 336 | R | 77.3 | Confident | 76.8 | Confident | 131 Ų | 131 | 94.1 Ų | 94.1 | 49% | 0.494 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 175 | -78.1 | -178.9 | 173.2 | -153.1 | -1.2 | 112.6 | I255 V332 E333 E334 Q339 Q340 | I255-R336 HydrophobicContact CD1-CG 3.97Å; I255-R336 HydrophobicContact CG1-CG 4.35Å; V332-R336 HydrophobicContact CG1-CG 4.39Å; V332-R336 WeakPolarHBondContact O-CB 3.43Å; V332-R336 WeakPolarHBondContact O-CG 3.44Å; V332-R336 PolarHBondContact O-N 3.44Å; E333-R336 PolarHBondContact O-N 3.05Å; E334-R336 VanDerWaalsContact C-N 3.3Å; E334-R336 PolarHBondContact O-N 3.15Å; R336-Q339 WeakPolarHBondContact O-CB 3.48Å; R336-Q339 PolarHBondContact O-N 3.11Å; R336-Q340 PolarHBondContact O-N 3.3Å; R336-Q340 VanDerWaalsContact O-N 3.08Å |
| 337 | R | 80.7 | Confident | 76.1 | Confident | 128 Ų | 128 | 93.4 Ų | 93.4 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 175.4 | -151.6 | -169.4 | 74.9 | -128.3 | -5.7 | 111.2 | E333 E334 Q339 Q340 E341 | E333-R337 PolarHBondContact O-N 2.88Å; E333-R337 VanDerWaalsContact O-N 3.09Å; E334-R337 PolarHBondContact O-N 2.96Å; R337-Q339 VanDerWaalsContact C-N 3.3Å; R337-Q339 PolarHBondContact O-N 2.97Å; R337-Q340 PolarHBondContact O-N 3.15Å; R337-Q340 VanDerWaalsContact O-N 3.09Å; R337-E341 IonicContact CZ-OE1 3.15Å; R337-E341 IonicContact NE-OE1 2.66Å; R337-E341 PolarHBondContact NE-OE1 3Å; R337-E341 IonicContact NH2-OE1 2.73Å; R337-E341 PolarHBondContact NH2-OE1 3.25Å; R337-E341 WeakPolarHBondContact O-CG 3.47Å; R337-E341 PolarHBondContact O-N 3.47Å |
| 338 | R | 74.7 | Confident | 75.3 | Confident | 132 Ų | 132 | 93.1 Ų | 93.1 | 50% | 0.498 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 174.8 | -62.9 | 176.6 | -157.5 | -173.3 | 6.9 | 111.9 | E334 Q340 E341 A342 | E334-R338 WeakPolarHBondContact O-CG 3.22Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 IonicContact OE2-CZ 2.63Å; E334-R338 IonicContact OE2-NE 2.92Å; E334-R338 IonicContact OE2-NH2 2.7Å; E334-R338 PolarHBondContact OE2-NH2 3.02Å; R338-Q340 PolarHBondContact O-N 3.48Å; R338-E341 PolarHBondContact O-N 3.03Å; R338-A342 VanDerWaalsContact O-CB 3.31Å; R338-A342 WeakPolarHBondContact O-CB 3.46Å; R338-A342 PolarHBondContact O-N 3.45Å |
| 339 | Q | 72.6 | Confident | 74.3 | Confident | 51 Ų | 51 | 92.9 Ų | 92.9 | 24% | 0.238 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 173.7 | 165.1 | 173.7 | 73.3 | 0 | 0 | 113.1 | L248 A251 A335 R336 R337 S343 | L248-Q339 HydrophobicContact CD1-CB 4.47Å; L248-Q339 HydrophobicContact CD1-CG 3.79Å; L248-Q339 VanDerWaalsContact CD1-NE2 3.34Å; A251-Q339 HydrophobicContact CB-CB 4.46Å; A335-Q339 WeakPolarHBondContact O-CB 3.45Å; A335-Q339 PolarHBondContact O-N 2.91Å; R336-Q339 WeakPolarHBondContact O-CB 3.48Å; R336-Q339 PolarHBondContact O-N 3.11Å; R337-Q339 VanDerWaalsContact C-N 3.3Å; R337-Q339 PolarHBondContact O-N 2.97Å; Q339-S343 VanDerWaalsContact O-CB 3.3Å; Q339-S343 WeakPolarHBondContact O-CB 3.38Å; Q339-S343 PolarHBondContact O-N 3.41Å; Q339-S343 VanDerWaalsContact O-N 3.1Å |
| 340 | Q | 76 | Confident | 73.2 | Confident | 135 Ų | 135 | 94 Ų | 94 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.2 | -46.9 | 174.8 | -72.3 | -178.3 | -38.9 | 0 | 0 | 111.6 | R336 R337 R338 A342 S343 E344 | R336-Q340 PolarHBondContact O-N 3.3Å; R336-Q340 VanDerWaalsContact O-N 3.08Å; R337-Q340 PolarHBondContact O-N 3.15Å; R337-Q340 VanDerWaalsContact O-N 3.09Å; R338-Q340 PolarHBondContact O-N 3.48Å; Q340-A342 VanDerWaalsContact C-N 3.33Å; Q340-A342 PolarHBondContact O-N 3.43Å; Q340-S343 PolarHBondContact O-N 3.47Å; Q340-S343 VanDerWaalsContact O-N 3.17Å; Q340-E344 PolarHBondContact O-N 3.44Å |
| 341 | E | 76.2 | Confident | 71.7 | Confident | 100 Ų | 100 | 93.1 Ų | 93.1 | 47% | 0.467 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -55.5 | -46.2 | 176.9 | -68 | 164.2 | -162.9 | 0 | 0 | 111.4 | R337 R338 A345 | R337-E341 IonicContact CZ-OE1 3.15Å; R337-E341 IonicContact NE-OE1 2.66Å; R337-E341 PolarHBondContact NE-OE1 3Å; R337-E341 IonicContact NH2-OE1 2.73Å; R337-E341 PolarHBondContact NH2-OE1 3.25Å; R337-E341 WeakPolarHBondContact O-CG 3.47Å; R337-E341 PolarHBondContact O-N 3.47Å; R338-E341 PolarHBondContact O-N 3.03Å; E341-A345 PolarHBondContact O-N 3.17Å |
| 342 | A | 69.8 | Low | 69.9 | Low | 12 Ų | 12 | 96 Ų | 96 | 10% | 0.099 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A244 R338 Q340 A345 L346 | A244-A342 HydrophobicContact CB-CB 4.12Å; R338-A342 VanDerWaalsContact O-CB 3.31Å; R338-A342 WeakPolarHBondContact O-CB 3.46Å; R338-A342 PolarHBondContact O-N 3.45Å; Q340-A342 VanDerWaalsContact C-N 3.33Å; Q340-A342 PolarHBondContact O-N 3.43Å; A342-A345 PolarHBondContact O-N 3.39Å; A342-L346 PolarHBondContact O-N 3.02Å; A342-L346 VanDerWaalsContact O-N 3.15Å |
| 343 | S | 70.1 | Confident | 67.6 | Low | 78 Ų | 78 | 100 Ų | 100 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 178.9 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | Q339 Q340 L346 L347 | Q339-S343 VanDerWaalsContact O-CB 3.3Å; Q339-S343 WeakPolarHBondContact O-CB 3.38Å; Q339-S343 PolarHBondContact O-N 3.41Å; Q339-S343 VanDerWaalsContact O-N 3.1Å; Q340-S343 PolarHBondContact O-N 3.47Å; Q340-S343 VanDerWaalsContact O-N 3.17Å; S343-L346 WeakPolarHBondContact O-CB 3.34Å; S343-L346 PolarHBondContact O-N 2.9Å; S343-L347 PolarHBondContact O-N 2.98Å |
| 344 | E | 73.2 | Confident | 65.2 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 174.4 | -79.1 | -161.8 | -153.6 | 0 | 0 | 112.9 | Q340 L346 L347 R348 | Q340-E344 PolarHBondContact O-N 3.44Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 3.39Å; E344-L347 PolarHBondContact O-N 3.37Å; E344-R348 WeakPolarHBondContact O-CG 3.24Å; E344-R348 PolarHBondContact O-N 3.21Å; E344-R348 IonicContact OE2-CZ 3.98Å; E344-R348 IonicContact OE2-NH2 2.78Å; E344-R348 PolarHBondContact OE2-NH2 3.49Å |
| 345 | A | 68.7 | Low | 62.9 | Low | 57 Ų | 57 | 107.1 Ų | 107.1 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E341 A342 L347 R348 A349 | E341-A345 PolarHBondContact O-N 3.17Å; A342-A345 PolarHBondContact O-N 3.39Å; A345-L347 VanDerWaalsContact C-N 3.33Å; A345-L347 PolarHBondContact O-N 2.98Å; A345-R348 PolarHBondContact O-N 3.3Å; A345-A349 PolarHBondContact O-N 3Å |
| 346 | L | 66.6 | Low | 60.5 | Low | 84 Ų | 84 | 115 Ų | 115 | 44% | 0.44 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58 | -43.4 | 176.4 | -158.9 | 86 | 0 | 0 | 0 | 112.2 | M241 A342 S343 E344 T350 | M241-L346 HydrophobicContact CG-CD1 3.44Å; M241-L346 VanDerWaalsContact CG-CD1 3.44Å; M241-L346 HydrophobicContact SD-CD1 4.45Å; A342-L346 PolarHBondContact O-N 3.02Å; A342-L346 VanDerWaalsContact O-N 3.15Å; S343-L346 WeakPolarHBondContact O-CB 3.34Å; S343-L346 PolarHBondContact O-N 2.9Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 3.39Å; L346-T350 PolarHBondContact O-OG1 3.39Å |
| 347 | L | 67.7 | Low | 58.4 | Low | 127 Ų | 127 | 114.5 Ų | 114.5 | 67% | 0.665 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.3 | -43.5 | -175.7 | -165.2 | 72.2 | 0 | 0 | 0 | 112.1 | S343 E344 A345 A349 T350 | S343-L347 PolarHBondContact O-N 2.98Å; E344-L347 PolarHBondContact O-N 3.37Å; A345-L347 VanDerWaalsContact C-N 3.33Å; A345-L347 PolarHBondContact O-N 2.98Å; L347-A349 VanDerWaalsContact C-N 3.31Å; L347-A349 PolarHBondContact O-N 3.5Å; L347-T350 WeakPolarHBondContact O-CB 3.47Å; L347-T350 PolarHBondContact O-N 3.46Å; L347-T350 VanDerWaalsContact O-N 3.11Å; L347-T350 PolarHBondContact O-OG1 2.74Å |
| 348 | R | 66 | Low | 55.9 | Low | 165 Ų | 165 | 118.2 Ų | 118.2 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.3 | -35.1 | -178.8 | -63.6 | 172.3 | -161.6 | -172 | 6.9 | 112.5 | E344 A345 T350 T351 | E344-R348 WeakPolarHBondContact O-CG 3.24Å; E344-R348 PolarHBondContact O-N 3.21Å; E344-R348 IonicContact OE2-CZ 3.98Å; E344-R348 IonicContact OE2-NH2 2.78Å; E344-R348 PolarHBondContact OE2-NH2 3.49Å; A345-R348 PolarHBondContact O-N 3.3Å; R348-T350 PolarHBondContact O-N 2.81Å; R348-T351 PolarHBondContact O-N 3.44Å; R348-T351 PolarHBondContact O-OG1 3.31Å |
| 349 | A | 60.3 | Low | 53.6 | Low | 44 Ų | 44 | 119.5 Ų | 119.5 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -17.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M237 A345 L347 | M237-A349 HydrophobicContact CE-CB 4.47Å; M237-A349 HydrophobicContact CG-CB 4.17Å; M237-A349 HydrophobicContact SD-CB 3.93Å; A345-A349 PolarHBondContact O-N 3Å; L347-A349 VanDerWaalsContact C-N 3.31Å; L347-A349 PolarHBondContact O-N 3.5Å |
| 350 | T | 54.6 | Low | 51.8 | Low | 105 Ų | 105 | 125.2 Ų | 125.2 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -17 | -175.1 | -23.3 | 0 | 0 | 0 | 0 | 114 | L346 L347 R348 | L346-T350 PolarHBondContact O-OG1 3.39Å; L347-T350 WeakPolarHBondContact O-CB 3.47Å; L347-T350 PolarHBondContact O-N 3.46Å; L347-T350 VanDerWaalsContact O-N 3.11Å; L347-T350 PolarHBondContact O-OG1 2.74Å; R348-T350 PolarHBondContact O-N 2.81Å |
| 351 | T | 52.5 | Low | 49.2 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -96.9 | -8.6 | -161 | 34.2 | 0 | 0 | 0 | 0 | 117.5 | R348 | R348-T351 PolarHBondContact O-N 3.44Å; R348-T351 PolarHBondContact O-OG1 3.31Å |
| 352 | E | 41.1 | Very low | 46.7 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 67% | 0.666 | S | S | * | * | trans | -100.1 | 5 | -163.6 | -56.4 | -163.4 | 147.6 | 0 | 0 | 116.3 | M354 | E352-M354 PolarHBondContact O-N 3.18Š| ||
| 353 | A | 33.3 | Very low | 45 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -98.8 | 25.5 | -153.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 354 | M | 30.3 | Very low | 42.9 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 92% | 0.916 | 71% | 0.713 | S | S | * | * | trans | -144 | 111.5 | -178 | -70.2 | -170.6 | 174 | 0 | 0 | 116.3 | E352 | E352-M354 PolarHBondContact O-N 3.18Š| ||
| 355 | Q | 30.9 | Very low | 40.7 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 96% | 0.958 | 73% | 0.729 | S | S | * | * | trans | -147.8 | -178.5 | 162.1 | -74.8 | -156.3 | -2.6 | 0 | 0 | 112.5 | ||||
| 356 | H | 28.5 | Very low | 39.3 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | -145.1 | 154.7 | -138 | -168.8 | -104.2 | 0 | 0 | 0 | 117.3 | ||||
| 357 | N | 32 | Very low | 37.4 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | trans | 81.8 | 143.3 | 153 | -132.3 | -10.9 | 0 | 0 | 0 | 124.1 | ||||
| 358 | K | 28.1 | Very low | 35.9 | Very low | 207 Ų | 207 | 152 Ų | 152 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | 179.5 | 178.3 | 129.4 | -101.9 | 176 | -179.2 | -177.9 | 0 | 116.2 | |||||
| 359 | L | 26.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -143.6 | 167.6 | -160.6 | -104.2 | 163.8 | 0 | 0 | 0 | 117.2 | ||||
| 360 | H | 34.5 | Very low | 33 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -45.7 | 169 | -173.8 | -114.3 | -90.6 | 0 | 0 | 0 | 124.3 | ||||
| 361 | N | 22.3 | Very low | 32.2 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -177.9 | 145.7 | 144.6 | -106.3 | -12.2 | 0 | 0 | 0 | 122.1 | ||||
| 362 | V | 24.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 164.6 Ų | 164.6 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | trans | 83.1 | 162.3 | 136.5 | 173.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 363 | F | 34.4 | Very low | 31.3 | Very low | 193 Ų | 193 | 160.6 Ų | 160.6 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -156.8 | 164.2 | -163.3 | -168.5 | -81.6 | 0 | 0 | 0 | 113.9 | ||||
| 364 | E | 25.9 | Very low | 31.5 | Very low | 169 Ų | 169 | 164 Ų | 164 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -157 | -164.1 | 178.1 | -141.8 | 153.9 | -143 | 0 | 0 | 120.6 | ||||
| 365 | H | 26.1 | Very low | 31.9 | Very low | 187 Ų | 187 | 157.9 Ų | 157.9 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -130.8 | -152.2 | -152 | -103.7 | -56.5 | 0 | 0 | 0 | 122.4 | ||||
| 366 | V | 39 | Very low | 32.6 | Very low | 134 Ų | 134 | 155 Ų | 155 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -151.9 | 155.2 | -153.1 | -176.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 367 | E | 26.1 | Very low | 33.7 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -165.6 | -170.7 | 158.8 | -129.4 | -177.9 | -145.3 | 0 | 0 | 120.9 | Q198 | Q198-E367 PolarHBondContact NE2-OE2 3.41Š| ||
| 368 | E | 37.4 | Very low | 34.3 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -155.9 | 174.8 | -158.7 | -153.9 | -171.4 | -124 | 0 | 0 | 120.6 | ||||
| 369 | N | 31.7 | Very low | 35.6 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | 109.1 | 162.7 | 154.9 | -77.2 | -70.4 | 0 | 0 | 0 | 127.6 | ||||
| 370 | Y | 33.3 | Very low | 37.7 | Very low | 231 Ų | 231 | 147.2 Ų | 147.2 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | -152.3 | 171.3 | -168.8 | -83.4 | -83.3 | 0 | 0 | 0 | 119.3 | ||||
| 371 | T | 37.4 | Very low | 39.3 | Very low | 141 Ų | 141 | 140 Ų | 140 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | trans | -155.3 | 174.3 | -178.6 | 61.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 372 | M | 35.9 | Very low | 41.3 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 96% | 0.956 | 68% | 0.679 | S | S | * | * | trans | -159.8 | 179.3 | 171.3 | -91.1 | -147.7 | 74.5 | 0 | 0 | 118.2 | ||||
| 373 | A | 39 | Very low | 43 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | -143 | -167.2 | -160.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 374 | N | 37.4 | Very low | 44.1 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 66% | 0.656 | S | S | * | * | trans | -147.5 | 176 | -165.9 | -110.5 | -20.4 | 0 | 0 | 0 | 117.4 | Y377 | N374-Y377 PolarHBondContact O-OH 3.11Š| ||
| 375 | G | 38.2 | Very low | 45.6 | Very low | 58 Ų | 58 | 126.4 Ų | 126.4 | 60% | 0.598 | 65% | 0.651 | S | S | * | * | trans | -154.6 | -176.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y377 | G375-Y377 WeakPolarHBondContact CA-OH 3.27Š| ||
| 376 | D | 46.4 | Very low | 47.2 | Very low | 144 Ų | 144 | 120 Ų | 120 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | cis | -142.2 | 177.9 | 5.1 | -177.6 | 20.3 | 0 | 0 | 0 | 110.3 | ||||
| 377 | Y | 52.4 | Low | 47.9 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 46% | 0.463 | 61% | 0.607 | S | S | . | * | trans | -133.7 | 126.8 | -135.8 | -42.5 | -62.9 | 0 | 0 | 0 | 122.1 | M175 N374 G375 | M175-Y377 HydrophobicContact CE-CD1 3.47Å; M175-Y377 VanDerWaalsContact CE-CD1 3.47Å; M175-Y377 HydrophobicContact CE-CD2 3.96Å; M175-Y377 HydrophobicContact CE-CE1 4.13Å; M175-Y377 HydrophobicContact CE-CG 3.37Å; M175-Y377 HydrophobicContact SD-CG 4.09Å; N374-Y377 PolarHBondContact O-OH 3.11Å; G375-Y377 WeakPolarHBondContact CA-OH 3.27Å | ||
| 378 | R | 44.7 | Very low | 49.7 | Very low | 209 Ų | 209 | 117 Ų | 117 | 79% | 0.789 | 61% | 0.613 | S | S | * | * | trans | -124.7 | 127.8 | 137.5 | 161.3 | -177.3 | 156.5 | 159.7 | -4.8 | 106.5 | ||||
| 379 | V | 54.6 | Low | 51.1 | Low | 43 Ų | 43 | 110.5 Ų | 110.5 | 26% | 0.261 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.2 | -172.1 | 179.5 | 0 | 0 | 0 | 0 | 113.5 | M175 L381 | M175-V379 HydrophobicContact CE-CB 4.18Å; M175-V379 HydrophobicContact CE-CG2 3.39Å; M175-V379 HydrophobicContact CG-CB 4.26Å; M175-V379 HydrophobicContact CG-CG2 4.46Å; M175-V379 HydrophobicContact SD-CB 4.02Å; M175-V379 HydrophobicContact SD-CG2 3.74Å; V379-L381 HydrophobicContact CB-CD2 4.39Å; V379-L381 HydrophobicContact CG1-CD2 3.63Å; V379-L381 HydrophobicContact CG1-CG 4.17Å |
| 380 | E | 70.6 | Confident | 52.9 | Low | 128 Ų | 128 | 108.4 Ų | 108.4 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 119 | 159.4 | -167.3 | 125 | -102.7 | 0 | 0 | 107.4 | N137 | N137-E380 PolarHBondContact ND2-OE1 3.26Å |
| 381 | L | 68.7 | Low | 54.9 | Low | 20 Ų | 20 | 100.9 Ų | 100.9 | 11% | 0.105 | 55% | 0.552 | C | S | . | * | trans | -90.8 | -35.4 | -162.5 | -72.1 | 168.5 | 0 | 0 | 0 | 112.9 | I135 R136 I138 M175 H178 V379 | I135-L381 HydrophobicContact CG2-CD1 4.14Å; R136-L381 PolarHBondContact O-N 3.16Å; I138-L381 HydrophobicContact CB-CD1 4.16Å; I138-L381 HydrophobicContact CD1-CD1 3.53Å; I138-L381 HydrophobicContact CG1-CD1 3.59Å; M175-L381 HydrophobicContact CG-CD2 4.26Å; H178-L381 HydrophobicContact CB-CD1 4.49Å; H178-L381 HydrophobicContact CB-CD2 4.08Å; H178-L381 PolarHBondContact CE1-O 2.96Å; V379-L381 HydrophobicContact CB-CD2 4.39Å; V379-L381 HydrophobicContact CG1-CD2 3.63Å; V379-L381 HydrophobicContact CG1-CG 4.17Å | ||
| 382 | T | 63.5 | Low | 56.7 | Low | 5 Ų | 5 | 101 Ų | 101 | 3% | 0.031 | 54% | 0.536 | C | S | . | . | trans | -122.9 | 118.2 | 177.2 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | R136 I150 H178 M182 Y386 | R136-T382 WeakPolarHBondContact CA-OG1 3.45Å; R136-T382 PolarHBondContact O-N 2.71Å; I150-T382 HydrophobicContact CD1-CG2 3.87Å; I150-T382 WeakPolarHBondContact CD1-OG1 3.28Å; H178-T382 WeakPolarHBondContact NE2-CG2 3.18Å; M182-T382 HydrophobicContact CE-CG2 3.77Å; T382-Y386 HydrophobicContact CG2-CD2 4.07Å; T382-Y386 HydrophobicContact CG2-CG 4.22Å | ||
| 383 | S | 60.4 | Low | 58.7 | Low | 70 Ų | 70 | 92.4 Ų | 92.4 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | trans | -62 | 159.6 | 150.8 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | E385 Y386 | S383-E385 PolarHBondContact O-N 3.35Å; S383-E385 VanDerWaalsContact O-N 3.13Å; S383-Y386 WeakPolarHBondContact O-CD2 3.4Å; S383-Y386 PolarHBondContact O-N 3.17Å; S383-Y386 VanDerWaalsContact O-N 3.16Å | ||
| 384 | D | 57.3 | Low | 60.5 | Low | 111 Ų | 111 | 91.7 Ų | 91.7 | 59% | 0.594 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -67.5 | -9.2 | 175.6 | -66.4 | -33.7 | 0 | 0 | 0 | 112.3 | R136 Y386 A387 | R136-D384 IonicContact CZ-OD1 2.86Å; R136-D384 IonicContact NH1-OD1 3.72Å; R136-D384 PolarHBondContact NH1-OD1 3.16Å; R136-D384 VanDerWaalsContact NH1-OD1 3.08Å; R136-D384 IonicContact NH2-OD1 3.25Å; D384-Y386 PolarHBondContact O-N 3.45Å; D384-Y386 VanDerWaalsContact O-N 3.16Å; D384-A387 PolarHBondContact O-N 3.23Å |
| 385 | E | 56.7 | Low | 62.7 | Low | 145 Ų | 145 | 91.9 Ų | 91.9 | 68% | 0.678 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -54.3 | -24 | 165.3 | -69.5 | -172.8 | 166.1 | 0 | 0 | 114.4 | K186 S383 A387 | K186-E385 IonicContact NZ-OE2 2.64Å; S383-E385 PolarHBondContact O-N 3.35Å; S383-E385 VanDerWaalsContact O-N 3.13Å; E385-A387 VanDerWaalsContact C-N 3.29Å; E385-A387 PolarHBondContact O-N 3.01Å |
| 386 | Y | 60.3 | Low | 65.1 | Low | 52 Ų | 52 | 91.2 Ų | 91.2 | 20% | 0.204 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -89.4 | 12.8 | -177.4 | -61 | -74.8 | 0 | 0 | 0 | 113.5 | M182 K186 T382 S383 D384 N388 V389 | M182-Y386 HydrophobicContact CB-CD1 4.36Å; M182-Y386 HydrophobicContact CB-CE1 3.84Å; M182-Y386 HydrophobicContact CG-CD1 4.09Å; M182-Y386 HydrophobicContact CG-CE1 4.02Å; M182-Y386 HydrophobicContact SD-CD1 3.57Å; M182-Y386 VanDerWaalsContact SD-CD1 3.57Å; M182-Y386 HydrophobicContact SD-CE1 4.06Å; M182-Y386 HydrophobicContact SD-CG 4.14Å; K186-Y386 WeakPolarHBondContact CE-OH 3.49Å; K186-Y386 PolarHBondContact NZ-OH 3.31Å; T382-Y386 HydrophobicContact CG2-CD2 4.07Å; T382-Y386 HydrophobicContact CG2-CG 4.22Å; S383-Y386 WeakPolarHBondContact O-CD2 3.4Å; S383-Y386 PolarHBondContact O-N 3.17Å; S383-Y386 VanDerWaalsContact O-N 3.16Å; D384-Y386 PolarHBondContact O-N 3.45Å; D384-Y386 VanDerWaalsContact O-N 3.16Å; Y386-N388 PolarHBondContact O-N 3.46Å; Y386-V389 WeakPolarHBondContact O-CG2 3.4Å |
| 387 | A | 54.6 | Low | 67.2 | Low | 67 Ų | 67 | 88.7 Ų | 88.7 | 55% | 0.554 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 128.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D384 E385 | D384-A387 PolarHBondContact O-N 3.23Å; E385-A387 VanDerWaalsContact C-N 3.29Å; E385-A387 PolarHBondContact O-N 3.01Å |
| 388 | N | 62.8 | Low | 69 | Low | 167 Ų | 167 | 83.8 Ų | 83.8 | 89% | 0.893 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 24.2 | 176.4 | -43.5 | -53.2 | 0 | 0 | 0 | 117.4 | Y386 | Y386-N388 PolarHBondContact O-N 3.46Š|
| 389 | V | 67.1 | Low | 71.1 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | trans | -65.5 | 139.7 | 169.4 | -91.4 | 0 | 0 | 0 | 0 | 112.5 | M182 R185 Y386 | M182-V389 HydrophobicContact SD-CG2 4.31Å; R185-V389 HydrophobicContact CB-CB 4.28Å; R185-V389 HydrophobicContact CB-CG1 3.92Å; R185-V389 HydrophobicContact CG-CB 4.39Å; Y386-V389 WeakPolarHBondContact O-CG2 3.4Å | ||
| 390 | P | 70.1 | Confident | 72.5 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | trans | -55.7 | 146.1 | 179.6 | -27.8 | 35.5 | 0 | 0 | 0 | 114.3 | R185 | R185-P390 VanDerWaalsContact CZ-O 3.24Å; R185-P390 PolarHBondContact NE-O 3.15Å; R185-P390 PolarHBondContact NH2-O 3.41Å | ||
| 391 | Q | 75.1 | Confident | 73.2 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 34% | 0.341 | 37% | 0.372 | S | S | . | . | trans | -120.8 | 60.4 | 179.1 | -61.1 | -171.9 | 29.6 | 0 | 0 | 111 | S133 E393 I394 | S133-Q391 VanDerWaalsContact OG-CD 3.32Å; S133-Q391 PolarHBondContact OG-NE2 3.05Å; Q391-E393 PolarHBondContact O-N 3.35Å; Q391-E393 VanDerWaalsContact O-N 3.11Å; Q391-I394 HydrophobicContact CB-CD1 3.66Å; Q391-I394 HydrophobicContact CB-CG1 3.97Å; Q391-I394 VanDerWaalsContact O-CB 3.3Å; Q391-I394 WeakPolarHBondContact O-CB 3.39Å; Q391-I394 WeakPolarHBondContact O-CG1 3.36Å; Q391-I394 PolarHBondContact O-N 3.23Å | ||
| 392 | W | 75.2 | Confident | 73.9 | Confident | 144 Ų | 144 | 78.4 Ų | 78.4 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.1 | -177.7 | 58.3 | -82.4 | 0 | 0 | 0 | 114.1 | I394 | W392-I394 PolarHBondContact O-N 3.11Š|
| 393 | E | 76.7 | Confident | 75.1 | Confident | 12 Ų | 12 | 81.5 Ų | 81.5 | 6% | 0.056 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.2 | 168.4 | 67.7 | -86.6 | -157.9 | 0 | 0 | 114.1 | L113 Y181 R185 Q391 R396 | L113-E393 HydrophobicContact CD2-CB 4.05Å; Y181-E393 VanDerWaalsContact CE2-OE1 3.23Å; Y181-E393 WeakPolarHBondContact CE2-OE1 3.48Å; Y181-E393 PolarHBondContact OH-OE1 3.23Å; R185-E393 IonicContact CZ-OE2 3.62Å; R185-E393 VanDerWaalsContact NH2-CD 3.28Å; R185-E393 IonicContact NH2-OE1 3.46Å; R185-E393 PolarHBondContact NH2-OE1 2.88Å; R185-E393 VanDerWaalsContact NH2-OE1 3.08Å; R185-E393 IonicContact NH2-OE2 3.61Å; R185-E393 PolarHBondContact NH2-OE2 3.27Å; Q391-E393 PolarHBondContact O-N 3.35Å; Q391-E393 VanDerWaalsContact O-N 3.11Å; E393-R396 WeakPolarHBondContact O-CB 3.31Å; E393-R396 PolarHBondContact O-N 2.99Å |
| 394 | I | 77 | Confident | 76.3 | Confident | 81 Ų | 81 | 83.6 Ų | 83.6 | 42% | 0.415 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -41.2 | 177.5 | -65.8 | 178.5 | 0 | 0 | 0 | 110.7 | Q391 W392 R396 R448 | Q391-I394 HydrophobicContact CB-CD1 3.66Å; Q391-I394 HydrophobicContact CB-CG1 3.97Å; Q391-I394 VanDerWaalsContact O-CB 3.3Å; Q391-I394 WeakPolarHBondContact O-CB 3.39Å; Q391-I394 WeakPolarHBondContact O-CG1 3.36Å; Q391-I394 PolarHBondContact O-N 3.23Å; W392-I394 PolarHBondContact O-N 3.11Å; I394-R396 VanDerWaalsContact C-N 3.25Å; I394-R396 PolarHBondContact O-N 3.28Å; I394-R448 HydrophobicContact CG2-CG 4.42Å; I394-R448 VanDerWaalsContact O-CD 3.26Å; I394-R448 WeakPolarHBondContact O-CD 3.27Å; I394-R448 PolarHBondContact O-NH1 3.16Å |
| 395 | E | 83.3 | Confident | 77.8 | Confident | 166 Ų | 166 | 83.1 Ų | 83.1 | 78% | 0.776 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.9 | -178.5 | -64.5 | 178.8 | 172.9 | 0 | 0 | 112.7 | Q397 | E395-Q397 PolarHBondContact O-N 3.39Š|
| 396 | R | 89 | Confident | 79.4 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | trans | -68.3 | 134.4 | -175.9 | -171.7 | 165.2 | 169.6 | 166.2 | -5.4 | 111.9 | Q86 D87 E393 I394 Y444 R448 | Q86-R396 VanDerWaalsContact NE2-NH2 3.12Å; D87-R396 IonicContact OD1-NH2 3.54Å; D87-R396 PolarHBondContact OD1-NH2 3.2Å; E393-R396 WeakPolarHBondContact O-CB 3.31Å; E393-R396 PolarHBondContact O-N 2.99Å; I394-R396 VanDerWaalsContact C-N 3.25Å; I394-R396 PolarHBondContact O-N 3.28Å; R396-Y444 HydrophobicContact CB-CD1 4.06Å; R396-Y444 HydrophobicContact CB-CE1 4.47Å; R396-Y444 HydrophobicContact CB-CG 4.13Å; R396-Y444 HydrophobicContact CG-CD1 4.02Å; R396-Y444 HydrophobicContact CG-CD2 3.99Å; R396-Y444 HydrophobicContact CG-CE1 4.01Å; R396-Y444 HydrophobicContact CG-CE2 3.94Å; R396-Y444 HydrophobicContact CG-CG 4.05Å; R396-Y444 PolarHBondContact NE-OH 3.47Å; R396-Y444 VanDerWaalsContact NE-OH 3.1Å; R396-Y444 PolarHBondContact NH2-OH 2.86Å; R396-Y444 WeakPolarHBondContact O-CB 3.28Å; R396-R448 PolarHBondContact O-NH1 2.96Å | ||
| 397 | Q | 90.1 | Very high | 80.8 | Confident | 91 Ų | 91 | 77 Ų | 77 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | trans | -109.8 | 161.7 | 168.2 | -64.9 | 162.9 | -42.6 | 0 | 0 | 108.5 | E395 E401 R402 | E395-Q397 PolarHBondContact O-N 3.39Å; Q397-E401 HydrophobicContact CB-CB 4.37Å; Q397-R402 HydrophobicContact CB-CG 4.32Å | ||
| 398 | T | 91.1 | Very high | 82.6 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | trans | -69.9 | 160.5 | 170.6 | 62 | 0 | 0 | 0 | 0 | 111.9 | D87 L400 E401 R402 D442 Y444 | D87-T398 HydrophobicContact CB-CG2 4.05Å; D87-T398 WeakPolarHBondContact OD2-CA 3.48Å; D87-T398 WeakPolarHBondContact OD2-CB 3.31Å; T398-L400 PolarHBondContact O-N 3.37Å; T398-E401 WeakPolarHBondContact CB-OE2 3.48Å; T398-E401 PolarHBondContact N-OE2 2.86Å; T398-E401 WeakPolarHBondContact OG1-CB 3.29Å; T398-E401 WeakPolarHBondContact OG1-CG 3.38Å; T398-E401 PolarHBondContact OG1-N 3.14Å; T398-E401 VanDerWaalsContact OG1-N 3.14Å; T398-E401 PolarHBondContact OG1-OE2 3.21Å; T398-R402 WeakPolarHBondContact O-CG 3.48Å; T398-R402 PolarHBondContact O-N 3.34Å; T398-D442 HydrophobicContact CG2-CB 4.19Å; T398-Y444 HydrophobicContact CG2-CD2 3.94Å; T398-Y444 HydrophobicContact CG2-CE2 4.07Å | ||
| 399 | A | 88.1 | Confident | 83.9 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -32 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D87 R402 N403 | D87-A399 PolarHBondContact OD2-N 2.88Å; A399-R402 PolarHBondContact O-N 3.4Å; A399-N403 PolarHBondContact O-N 2.73Å |
| 400 | L | 84.2 | Confident | 85.1 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -44.5 | 179.9 | -55.6 | -179.1 | 0 | 0 | 0 | 112 | I84 T398 R402 N403 I406 L410 | I84-L400 HydrophobicContact CG1-CD2 4.43Å; T398-L400 PolarHBondContact O-N 3.37Å; L400-R402 PolarHBondContact O-N 2.97Å; L400-R402 VanDerWaalsContact O-N 3.08Å; L400-N403 CarbonylContact O-C 3.54Å; L400-N403 PolarHBondContact O-N 3.36Å; L400-I406 HydrophobicContact CD2-CG2 3.83Å; L400-L410 HydrophobicContact CD1-CD1 3.63Å; L400-L410 HydrophobicContact CD2-CD1 3.65Å; L400-L410 HydrophobicContact CG-CD1 4.26Å |
| 401 | E | 85.2 | Confident | 86.2 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.8 | 171.9 | -76.9 | 170 | 118.1 | 0 | 0 | 113.4 | Q397 T398 K445 | Q397-E401 HydrophobicContact CB-CB 4.37Å; T398-E401 WeakPolarHBondContact CB-OE2 3.48Å; T398-E401 PolarHBondContact N-OE2 2.86Å; T398-E401 WeakPolarHBondContact OG1-CB 3.29Å; T398-E401 WeakPolarHBondContact OG1-CG 3.38Å; T398-E401 PolarHBondContact OG1-N 3.14Å; T398-E401 VanDerWaalsContact OG1-N 3.14Å; T398-E401 PolarHBondContact OG1-OE2 3.21Å; E401-K445 IonicContact OE1-NZ 3.24Å; E401-K445 PolarHBondContact OE1-NZ 3.17Å |
| 402 | R | 84.8 | Confident | 87.1 | Confident | 164 Ų | 164 | 71 Ų | 71 | 62% | 0.619 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.7 | 177.3 | -71.2 | 173.6 | 170.8 | -178.1 | -2.3 | 113.7 | Q397 T398 A399 L400 | Q397-R402 HydrophobicContact CB-CG 4.32Å; T398-R402 WeakPolarHBondContact O-CG 3.48Å; T398-R402 PolarHBondContact O-N 3.34Å; A399-R402 PolarHBondContact O-N 3.4Å; L400-R402 PolarHBondContact O-N 2.97Å; L400-R402 VanDerWaalsContact O-N 3.08Å |
| 403 | N | 87.6 | Confident | 88.1 | Confident | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -134.3 | 81 | -179.5 | -168.9 | -20.9 | 0 | 0 | 0 | 110.2 | A399 L400 N405 I406 Q407 | A399-N403 PolarHBondContact O-N 2.73Å; L400-N403 CarbonylContact O-C 3.54Å; L400-N403 PolarHBondContact O-N 3.36Å; N403-N405 PolarHBondContact O-N 2.86Å; N403-N405 VanDerWaalsContact O-N 3.13Å; N403-I406 HydrophobicContact CB-CB 4.39Å; N403-I406 HydrophobicContact CB-CD1 4.44Å; N403-I406 HydrophobicContact CB-CG1 4.47Å; N403-I406 VanDerWaalsContact ND2-CD1 3.26Å; N403-I406 WeakPolarHBondContact ND2-CD1 3.42Å; N403-I406 PolarHBondContact O-N 3.45Å; N403-I406 PolarHBondContact OD1-N 3.38Å; N403-Q407 PolarHBondContact O-N 2.93Å | ||
| 404 | Q | 86.4 | Confident | 88.9 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -51.8 | -37.6 | -177.6 | -166 | 64.8 | 51.3 | 0 | 0 | 112.8 | I406 Q407 D408 | Q404-I406 PolarHBondContact O-N 3.39Å; Q404-Q407 PolarHBondContact O-N 3.37Å; Q404-D408 PolarHBondContact NE2-OD1 3Å; Q404-D408 WeakPolarHBondContact O-CB 3.4Å; Q404-D408 PolarHBondContact O-N 3.1Å |
| 405 | N | 89.2 | Confident | 89.8 | Confident | 102 Ų | 102 | 65.4 Ų | 65.4 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.8 | -175.7 | -2.2 | 0 | 0 | 0 | 112.1 | N403 R409 | N403-N405 PolarHBondContact O-N 2.86Å; N403-N405 VanDerWaalsContact O-N 3.13Å; N405-R409 WeakPolarHBondContact O-CB 3.26Å; N405-R409 WeakPolarHBondContact O-CD 3.49Å; N405-R409 WeakPolarHBondContact O-CG 3.3Å; N405-R409 PolarHBondContact O-N 3.03Å; N405-R409 WeakPolarHBondContact OD1-CD 3.41Å |
| 406 | I | 88.6 | Confident | 90.3 | Very high | 28 Ų | 28 | 60.2 Ų | 60.2 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 173.7 | -63.7 | -179.8 | 0 | 0 | 0 | 110.6 | L14 L400 N403 Q404 R409 L410 | L14-I406 HydrophobicContact CD2-CG2 3.7Å; L400-I406 HydrophobicContact CD2-CG2 3.83Å; N403-I406 HydrophobicContact CB-CB 4.39Å; N403-I406 HydrophobicContact CB-CD1 4.44Å; N403-I406 HydrophobicContact CB-CG1 4.47Å; N403-I406 VanDerWaalsContact ND2-CD1 3.26Å; N403-I406 WeakPolarHBondContact ND2-CD1 3.42Å; N403-I406 PolarHBondContact O-N 3.45Å; N403-I406 PolarHBondContact OD1-N 3.38Å; Q404-I406 PolarHBondContact O-N 3.39Å; I406-R409 PolarHBondContact O-N 3.09Å; I406-L410 HydrophobicContact CG2-CD1 4Å; I406-L410 HydrophobicContact CG2-CG 4.21Å; I406-L410 WeakPolarHBondContact O-CB 3.32Å; I406-L410 WeakPolarHBondContact O-CG 3.35Å; I406-L410 PolarHBondContact O-N 2.93Å |
| 407 | Q | 90.1 | Very high | 90.5 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -54 | 177.5 | -178.5 | 60.1 | 48.3 | 0 | 0 | 112.1 | N403 Q404 R409 L410 D411 | N403-Q407 PolarHBondContact O-N 2.93Å; Q404-Q407 PolarHBondContact O-N 3.37Å; Q407-R409 PolarHBondContact O-N 3.08Å; Q407-L410 PolarHBondContact O-N 3.07Å; Q407-L410 VanDerWaalsContact O-N 3.12Å; Q407-D411 VanDerWaalsContact NE2-CG 3.29Å; Q407-D411 PolarHBondContact NE2-OD1 3.35Å; Q407-D411 PolarHBondContact NE2-OD2 3.17Å; Q407-D411 PolarHBondContact O-N 3.35Å |
| 408 | D | 92.1 | Very high | 90.7 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.1 | -38.6 | 179.8 | -63.9 | -21.5 | 0 | 0 | 0 | 111.5 | Q404 A412 | Q404-D408 PolarHBondContact NE2-OD1 3Å; Q404-D408 WeakPolarHBondContact O-CB 3.4Å; Q404-D408 PolarHBondContact O-N 3.1Å; D408-A412 WeakPolarHBondContact O-CB 3.38Å; D408-A412 PolarHBondContact O-N 3.49Å |
| 409 | R | 91.1 | Very high | 90.8 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -79.8 | -29.4 | -179.6 | -68.1 | 179.3 | 62.1 | -135.2 | -10.7 | 113.5 | W65 E68 N405 I406 Q407 L413 | W65-R409 HydrophobicContact CH2-CB 3.6Å; W65-R409 HydrophobicContact CZ2-CB 4.03Å; E68-R409 IonicContact OE1-CZ 3.89Å; E68-R409 VanDerWaalsContact OE1-CZ 3.31Å; E68-R409 IonicContact OE1-NH1 2.67Å; E68-R409 PolarHBondContact OE1-NH1 3.34Å; E68-R409 IonicContact OE1-NH2 2.77Å; E68-R409 PolarHBondContact OE1-NH2 3.27Å; E68-R409 IonicContact OE2-CZ 3.66Å; E68-R409 IonicContact OE2-NH1 2.9Å; E68-R409 PolarHBondContact OE2-NH1 2.68Å; E68-R409 IonicContact OE2-NH2 2.79Å; E68-R409 PolarHBondContact OE2-NH2 3.04Å; N405-R409 WeakPolarHBondContact O-CB 3.26Å; N405-R409 WeakPolarHBondContact O-CD 3.49Å; N405-R409 WeakPolarHBondContact O-CG 3.3Å; N405-R409 PolarHBondContact O-N 3.03Å; N405-R409 WeakPolarHBondContact OD1-CD 3.41Å; I406-R409 PolarHBondContact O-N 3.09Å; Q407-R409 PolarHBondContact O-N 3.08Å; R409-L413 WeakPolarHBondContact O-CB 3.3Å; R409-L413 PolarHBondContact O-N 3.09Å |
| 410 | L | 92.3 | Very high | 91 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 167.7 | -79.8 | 177.2 | 0 | 0 | 0 | 111.5 | E10 L14 W65 L400 I406 Q407 L413 N414 | E10-L410 HydrophobicContact CB-CD2 4.16Å; E10-L410 HydrophobicContact CG-CB 4.32Å; E10-L410 HydrophobicContact CG-CD2 4.12Å; L14-L410 HydrophobicContact CB-CD2 3.96Å; L14-L410 HydrophobicContact CD2-CD1 3.85Å; L14-L410 HydrophobicContact CD2-CD2 3.92Å; L14-L410 HydrophobicContact CD2-CG 4.13Å; W65-L410 HydrophobicContact CH2-CD2 4.45Å; W65-L410 HydrophobicContact CH2-CG 4.4Å; W65-L410 HydrophobicContact CZ2-CD2 4.26Å; L400-L410 HydrophobicContact CD1-CD1 3.63Å; L400-L410 HydrophobicContact CD2-CD1 3.65Å; L400-L410 HydrophobicContact CG-CD1 4.26Å; I406-L410 HydrophobicContact CG2-CD1 4Å; I406-L410 HydrophobicContact CG2-CG 4.21Å; I406-L410 WeakPolarHBondContact O-CB 3.32Å; I406-L410 WeakPolarHBondContact O-CG 3.35Å; I406-L410 PolarHBondContact O-N 2.93Å; Q407-L410 PolarHBondContact O-N 3.07Å; Q407-L410 VanDerWaalsContact O-N 3.12Å; L410-L413 PolarHBondContact O-N 3.04Å; L410-N414 VanDerWaalsContact O-CB 3.32Å; L410-N414 WeakPolarHBondContact O-CB 3.38Å; L410-N414 PolarHBondContact O-N 3.49Å |
| 411 | D | 93.2 | Very high | 91.6 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 35% | 0.348 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 175.7 | -72.8 | -34.6 | 0 | 0 | 0 | 111.4 | Q407 N414 A415 | Q407-D411 VanDerWaalsContact NE2-CG 3.29Å; Q407-D411 PolarHBondContact NE2-OD1 3.35Å; Q407-D411 PolarHBondContact NE2-OD2 3.17Å; Q407-D411 PolarHBondContact O-N 3.35Å; D411-N414 PolarHBondContact O-N 3.31Å; D411-A415 VanDerWaalsContact O-CB 3.3Å; D411-A415 WeakPolarHBondContact O-CB 3.42Å; D411-A415 PolarHBondContact O-N 3.06Å |
| 412 | A | 94.5 | Very high | 92 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | D408 A415 D416 | D408-A412 WeakPolarHBondContact O-CB 3.38Å; D408-A412 PolarHBondContact O-N 3.49Å; A412-A415 PolarHBondContact O-N 3.19Å; A412-D416 PolarHBondContact O-N 3.38Å |
| 413 | L | 94.4 | Very high | 92.4 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.9 | 174.3 | 63.7 | 0 | 0 | 0 | 111.4 | E10 V13 K61 R409 L410 A415 D416 L417 | E10-L413 HydrophobicContact CB-CD2 3.98Å; E10-L413 HydrophobicContact CB-CG 4.16Å; V13-L413 HydrophobicContact CB-CD2 3.86Å; V13-L413 HydrophobicContact CG1-CD2 3.9Å; V13-L413 HydrophobicContact CG2-CD2 4.31Å; K61-L413 HydrophobicContact CD-CD1 4.49Å; R409-L413 WeakPolarHBondContact O-CB 3.3Å; R409-L413 PolarHBondContact O-N 3.09Å; L410-L413 PolarHBondContact O-N 3.04Å; L413-A415 PolarHBondContact O-N 3.13Å; L413-D416 PolarHBondContact O-N 2.93Å; L413-D416 VanDerWaalsContact O-N 3.13Å; L413-L417 HydrophobicContact CD1-CD1 4.24Å; L413-L417 HydrophobicContact CD1-CG 4.11Å; L413-L417 HydrophobicContact CG-CD1 4.08Å; L413-L417 HydrophobicContact CG-CG 4.36Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.89Å |
| 414 | N | 94.5 | Very high | 92.7 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 177.2 | 179.6 | 58.1 | 0 | 0 | 0 | 111.3 | E10 L410 D411 D416 L417 E418 | E10-N414 HydrophobicContact CB-CB 4.06Å; E10-N414 HydrophobicContact CG-CB 4.07Å; L410-N414 VanDerWaalsContact O-CB 3.32Å; L410-N414 WeakPolarHBondContact O-CB 3.38Å; L410-N414 PolarHBondContact O-N 3.49Å; D411-N414 PolarHBondContact O-N 3.31Å; N414-D416 PolarHBondContact O-N 2.91Å; N414-L417 PolarHBondContact O-N 3Å; N414-E418 WeakPolarHBondContact O-CB 3.41Å; N414-E418 PolarHBondContact O-N 3.35Å |
| 415 | A | 95 | Very high | 93.1 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.1 | -24.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D411 A412 L413 K419 | D411-A415 VanDerWaalsContact O-CB 3.3Å; D411-A415 WeakPolarHBondContact O-CB 3.42Å; D411-A415 PolarHBondContact O-N 3.06Å; A412-A415 PolarHBondContact O-N 3.19Å; L413-A415 PolarHBondContact O-N 3.13Å; A415-K419 VanDerWaalsContact O-CE 3.3Å; A415-K419 WeakPolarHBondContact O-CE 3.43Å; A415-K419 WeakPolarHBondContact O-CG 3.49Å |
| 416 | D | 93.9 | Very high | 93.4 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -80.8 | -42 | 171.6 | -167.4 | 63.6 | 0 | 0 | 0 | 112.9 | K61 A412 L413 N414 K419 | K61-D416 IonicContact NZ-OD2 3.65Å; K61-D416 PolarHBondContact NZ-OD2 2.69Å; A412-D416 PolarHBondContact O-N 3.38Å; L413-D416 PolarHBondContact O-N 2.93Å; L413-D416 VanDerWaalsContact O-N 3.13Å; N414-D416 PolarHBondContact O-N 2.91Å; D416-K419 WeakPolarHBondContact O-CB 3.48Å; D416-K419 PolarHBondContact O-N 3.09Å; D416-K419 IonicContact OD1-NZ 3.3Å; D416-K419 PolarHBondContact OD1-NZ 3.02Å |
| 417 | L | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 175.7 | -70.4 | 176.4 | 0 | 0 | 0 | 111.2 | P9 E10 Y51 L53 W58 K61 L413 N414 K419 M420 R421 | P9-L417 HydrophobicContact CB-CD1 3.97Å; E10-L417 HydrophobicContact CB-CD1 4.49Å; Y51-L417 HydrophobicContact CD1-CB 4.12Å; Y51-L417 WeakPolarHBondContact CD1-O 3.37Å; Y51-L417 VanDerWaalsContact CE1-C 3.45Å; Y51-L417 HydrophobicContact CE1-CB 3.72Å; Y51-L417 WeakPolarHBondContact CE1-O 3.33Å; L53-L417 HydrophobicContact CD1-CD2 3.72Å; W58-L417 HydrophobicContact CH2-CD1 4.39Å; W58-L417 HydrophobicContact CH2-CD2 3.74Å; W58-L417 HydrophobicContact CZ3-CD1 4.37Å; W58-L417 HydrophobicContact CZ3-CD2 3.71Å; K61-L417 HydrophobicContact CD-CD2 4.04Å; L413-L417 HydrophobicContact CD1-CD1 4.24Å; L413-L417 HydrophobicContact CD1-CG 4.11Å; L413-L417 HydrophobicContact CG-CD1 4.08Å; L413-L417 HydrophobicContact CG-CG 4.36Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.89Å; N414-L417 PolarHBondContact O-N 3Å; L417-K419 PolarHBondContact O-N 3.41Å; L417-K419 VanDerWaalsContact O-N 3.11Å; L417-M420 PolarHBondContact O-N 3.41Å; L417-R421 PolarHBondContact O-N 3.21Å |
| 418 | E | 93.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.8 | -31.2 | -176.6 | -167.6 | 61.9 | -143 | 0 | 0 | 113.2 | N414 M420 R421 Q423 | N414-E418 WeakPolarHBondContact O-CB 3.41Å; N414-E418 PolarHBondContact O-N 3.35Å; E418-M420 PolarHBondContact O-N 3.25Å; E418-R421 VanDerWaalsContact CD-CD 3.46Å; E418-R421 WeakPolarHBondContact O-CB 3.35Å; E418-R421 PolarHBondContact O-N 3.43Å; E418-R421 WeakPolarHBondContact OE1-CD 3.4Å; E418-R421 IonicContact OE1-NH1 2.65Å; E418-R421 WeakPolarHBondContact OE2-CD 3.48Å; E418-R421 IonicContact OE2-CZ 2.66Å; E418-R421 IonicContact OE2-NE 2.82Å; E418-R421 IonicContact OE2-NH1 3.11Å; E418-R421 PolarHBondContact OE2-NH1 3.21Å; E418-Q423 PolarHBondContact OE1-NE2 3.08Å |
| 419 | K | 93.7 | Very high | 94.1 | Very high | 152 Ų | 152 | 64.2 Ų | 64.2 | 66% | 0.661 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30.5 | 174.4 | -56.6 | 166.9 | -167.2 | 162.9 | 0 | 113.2 | A415 D416 L417 | A415-K419 VanDerWaalsContact O-CE 3.3Å; A415-K419 WeakPolarHBondContact O-CE 3.43Å; A415-K419 WeakPolarHBondContact O-CG 3.49Å; D416-K419 WeakPolarHBondContact O-CB 3.48Å; D416-K419 PolarHBondContact O-N 3.09Å; D416-K419 IonicContact OD1-NZ 3.3Å; D416-K419 PolarHBondContact OD1-NZ 3.02Å; L417-K419 PolarHBondContact O-N 3.41Å; L417-K419 VanDerWaalsContact O-N 3.11Å |
| 420 | M | 93.7 | Very high | 94.4 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.4 | -175.5 | -58.9 | -57.5 | -62.7 | 0 | 0 | 112.3 | Y51 K52 L53 L417 E418 | Y51-M420 WeakPolarHBondContact CA-O 3.36Å; K52-M420 HydrophobicContact CB-CE 4.29Å; K52-M420 PolarHBondContact N-O 2.83Å; K52-M420 WeakPolarHBondContact O-CE 3.42Å; L53-M420 HydrophobicContact CD2-CB 4.28Å; L53-M420 HydrophobicContact CD2-CE 4.45Å; L53-M420 HydrophobicContact CD2-CG 4.07Å; L53-M420 HydrophobicContact CG-CB 4.3Å; L417-M420 PolarHBondContact O-N 3.41Å; E418-M420 PolarHBondContact O-N 3.25Å |
| 421 | R | 95.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 64 Ų | 64 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 139.8 | -173.4 | -161.4 | 171.5 | -162.1 | 174.8 | 0.7 | 112.3 | Q50 Y51 L417 E418 M434 | Q50-R421 CarbonylContact O-C 3.52Å; Q50-R421 WeakPolarHBondContact O-CA 3.23Å; Q50-R421 WeakPolarHBondContact O-CG 3.4Å; Y51-R421 HydrophobicContact CD1-CB 3.91Å; Y51-R421 HydrophobicContact CD1-CG 4.14Å; Y51-R421 HydrophobicContact CE1-CB 3.58Å; Y51-R421 HydrophobicContact CE1-CG 3.6Å; Y51-R421 PolarHBondContact OH-NE 3Å; L417-R421 PolarHBondContact O-N 3.21Å; E418-R421 VanDerWaalsContact CD-CD 3.46Å; E418-R421 WeakPolarHBondContact O-CB 3.35Å; E418-R421 PolarHBondContact O-N 3.43Å; E418-R421 WeakPolarHBondContact OE1-CD 3.4Å; E418-R421 IonicContact OE1-NH1 2.65Å; E418-R421 WeakPolarHBondContact OE2-CD 3.48Å; E418-R421 IonicContact OE2-CZ 2.66Å; E418-R421 IonicContact OE2-NE 2.82Å; E418-R421 IonicContact OE2-NH1 3.11Å; E418-R421 PolarHBondContact OE2-NH1 3.21Å; R421-M434 PolarHBondContact NH1-SD 3.17Å |
| 422 | D | 94.4 | Very high | 94.7 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | trans | -90.3 | 112.1 | 164.9 | -152.5 | -24.4 | 0 | 0 | 0 | 110.3 | Q50 K52 D424 K425 | Q50-D422 PolarHBondContact O-N 3.01Å; K52-D422 VanDerWaalsContact CE-CG 3.41Å; K52-D422 WeakPolarHBondContact CE-OD2 3.46Å; K52-D422 IonicContact NZ-OD1 3.88Å; K52-D422 PolarHBondContact NZ-OD1 3.48Å; K52-D422 IonicContact NZ-OD2 3.83Å; K52-D422 PolarHBondContact NZ-OD2 3.33Å; D422-D424 VanDerWaalsContact C-N 3.25Å; D422-D424 PolarHBondContact O-N 3.36Å; D422-D424 PolarHBondContact OD1-N 3.06Å; D422-K425 HydrophobicContact CB-CB 4.18Å; D422-K425 HydrophobicContact CB-CG 4.01Å; D422-K425 PolarHBondContact O-N 3.35Å; D422-K425 VanDerWaalsContact O-N 3.17Å | ||
| 423 | Q | 93.2 | Very high | 94.8 | Very high | 115 Ų | 115 | 60.1 Ų | 60.1 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -68.5 | -27.4 | -176.7 | -61.9 | -63.4 | -31 | 0 | 0 | 111.6 | E418 K425 V426 | E418-Q423 PolarHBondContact OE1-NE2 3.08Å; Q423-K425 PolarHBondContact O-N 3.07Å; Q423-V426 WeakPolarHBondContact O-CG2 3.39Å; Q423-V426 PolarHBondContact O-N 3.04Å |
| 424 | D | 93.6 | Very high | 94.8 | Very high | 157 Ų | 157 | 62.8 Ų | 62.8 | 84% | 0.84 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -71.4 | -9 | 176.1 | -65.2 | -24.6 | 0 | 0 | 0 | 113.2 | D422 | D422-D424 VanDerWaalsContact C-N 3.25Å; D422-D424 PolarHBondContact O-N 3.36Å; D422-D424 PolarHBondContact OD1-N 3.06Å |
| 425 | K | 95.1 | Very high | 94.8 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -106.6 | -3.3 | -179.3 | -68.5 | -71.4 | -167.4 | 168.3 | 0 | 113.9 | E49 Q50 D422 Q423 T427 | E49-K425 HydrophobicContact CB-CD 4.45Å; E49-K425 IonicContact OE2-NZ 3.58Å; E49-K425 PolarHBondContact OE2-NZ 3.26Å; Q50-K425 HydrophobicContact CB-CB 4.48Å; Q50-K425 HydrophobicContact CG-CB 3.79Å; Q50-K425 VanDerWaalsContact CG-O 3.22Å; Q50-K425 WeakPolarHBondContact CG-O 3.42Å; Q50-K425 PolarHBondContact NE2-O 3.34Å; D422-K425 HydrophobicContact CB-CB 4.18Å; D422-K425 HydrophobicContact CB-CG 4.01Å; D422-K425 PolarHBondContact O-N 3.35Å; D422-K425 VanDerWaalsContact O-N 3.17Å; Q423-K425 PolarHBondContact O-N 3.07Å; K425-T427 PolarHBondContact O-N 2.95Å |
| 426 | V | 94.6 | Very high | 94.9 | Very high | 35 Ų | 35 | 63 Ų | 63 | 21% | 0.212 | 31% | 0.31 | C | S | . | . | trans | -65.5 | 123.1 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | Q423 D430 V431 M434 | Q423-V426 WeakPolarHBondContact O-CG2 3.39Å; Q423-V426 PolarHBondContact O-N 3.04Å; V426-D430 HydrophobicContact CG1-CB 4Å; V426-V431 HydrophobicContact CG1-CG2 3.79Å; V426-M434 HydrophobicContact CG1-CE 4.15Å | ||
| 427 | T | 95.5 | Very high | 94.8 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | trans | -89.1 | 162.7 | 178.3 | 79 | 0 | 0 | 0 | 0 | 111.7 | R46 K425 Y429 D430 V431 | R46-T427 HydrophobicContact CG-CG2 3.88Å; K425-T427 PolarHBondContact O-N 2.95Å; T427-Y429 PolarHBondContact O-N 3.43Å; T427-Y429 VanDerWaalsContact O-N 3.15Å; T427-Y429 PolarHBondContact OG1-N 3.3Å; T427-D430 WeakPolarHBondContact CA-OD2 3.49Å; T427-D430 VanDerWaalsContact CB-OD2 3.25Å; T427-D430 WeakPolarHBondContact CB-OD2 3.32Å; T427-D430 PolarHBondContact N-OD2 3.34Å; T427-D430 PolarHBondContact O-N 2.87Å; T427-D430 PolarHBondContact OG1-OD2 3.08Å; T427-V431 PolarHBondContact O-N 3.12Å; T427-V431 VanDerWaalsContact O-N 3.14Å | ||
| 428 | Q | 95.2 | Very high | 94.8 | Very high | 110 Ų | 110 | 75.3 Ų | 75.3 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -51.5 | -36.8 | 174.4 | -171.4 | -176.7 | 10.3 | 0 | 0 | 113.1 | A121 V431 L432 | A121-Q428 PolarHBondContact O-NE2 3.46Å; Q428-V431 PolarHBondContact O-N 2.7Å; Q428-L432 HydrophobicContact CG-CD1 4.18Å; Q428-L432 VanDerWaalsContact O-CG 3.31Å; Q428-L432 WeakPolarHBondContact O-CG 3.46Å; Q428-L432 PolarHBondContact O-N 2.9Å |
| 429 | Y | 96.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 75.3 Ų | 75.3 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.7 | -34.8 | 178.3 | -70.3 | -72.3 | 0 | 0 | 0 | 112.6 | Y6 R123 L124 T427 L432 H433 | Y6-Y429 HydrophobicContact CD2-CG 4.23Å; R123-Y429 HydrophobicContact CB-CE1 4.19Å; R123-Y429 PolarHBondContact NE-OH 2.9Å; R123-Y429 PolarHBondContact NH2-OH 2.98Å; L124-Y429 HydrophobicContact CD1-CD1 4.21Å; L124-Y429 WeakPolarHBondContact CD1-O 3.38Å; L124-Y429 HydrophobicContact CD2-CD1 3.86Å; L124-Y429 HydrophobicContact CD2-CE1 4.41Å; L124-Y429 HydrophobicContact CG-CD1 3.85Å; L124-Y429 HydrophobicContact CG-CE1 4.48Å; T427-Y429 PolarHBondContact O-N 3.43Å; T427-Y429 VanDerWaalsContact O-N 3.15Å; T427-Y429 PolarHBondContact OG1-N 3.3Å; Y429-L432 PolarHBondContact O-N 3.33Å; Y429-H433 VanDerWaalsContact O-CB 3.27Å; Y429-H433 WeakPolarHBondContact O-CB 3.48Å; Y429-H433 PolarHBondContact O-N 3.19Å |
| 430 | D | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 175.9 | -47.7 | -78.9 | 0 | 0 | 0 | 110.8 | Y6 R46 Q50 V426 T427 H433 M434 | Y6-D430 WeakPolarHBondContact CE2-OD1 3.42Å; Y6-D430 PolarHBondContact OH-OD1 2.91Å; R46-D430 IonicContact CZ-OD1 2.8Å; R46-D430 IonicContact NH1-OD1 3.92Å; R46-D430 PolarHBondContact NH1-OD1 3.49Å; Q50-D430 PolarHBondContact NE2-OD2 2.92Å; Q50-D430 PolarHBondContact OE1-OD1 3.47Å; V426-D430 HydrophobicContact CG1-CB 4Å; T427-D430 WeakPolarHBondContact CA-OD2 3.49Å; T427-D430 VanDerWaalsContact CB-OD2 3.25Å; T427-D430 WeakPolarHBondContact CB-OD2 3.32Å; T427-D430 PolarHBondContact N-OD2 3.34Å; T427-D430 PolarHBondContact O-N 2.87Å; T427-D430 PolarHBondContact OG1-OD2 3.08Å; D430-H433 PolarHBondContact O-N 3.24Å; D430-M434 WeakPolarHBondContact O-CB 3.48Å; D430-M434 WeakPolarHBondContact O-CE 3.44Å; D430-M434 VanDerWaalsContact O-CG 3.27Å; D430-M434 WeakPolarHBondContact O-CG 3.48Å; D430-M434 PolarHBondContact O-N 2.77Å |
| 431 | V | 96.1 | Very high | 94.9 | Very high | 79 Ų | 79 | 69.4 Ų | 69.4 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 173.5 | -179 | 0 | 0 | 0 | 0 | 111.2 | V426 T427 Q428 H433 M434 E435 | V426-V431 HydrophobicContact CG1-CG2 3.79Å; T427-V431 PolarHBondContact O-N 3.12Å; T427-V431 VanDerWaalsContact O-N 3.14Å; Q428-V431 PolarHBondContact O-N 2.7Å; V431-H433 VanDerWaalsContact C-N 3.35Å; V431-H433 PolarHBondContact O-N 3.48Å; V431-M434 PolarHBondContact O-N 2.73Å; V431-E435 PolarHBondContact O-N 3.45Å |
| 432 | L | 96.5 | Very high | 94.8 | Very high | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.8 | -72.4 | 167.8 | 0 | 0 | 0 | 112 | D122 L124 Q428 Y429 E435 N436 | D122-L432 HydrophobicContact CB-CD1 4.04Å; D122-L432 HydrophobicContact CB-CD2 4.21Å; L124-L432 HydrophobicContact CD1-CB 3.95Å; Q428-L432 HydrophobicContact CG-CD1 4.18Å; Q428-L432 VanDerWaalsContact O-CG 3.31Å; Q428-L432 WeakPolarHBondContact O-CG 3.46Å; Q428-L432 PolarHBondContact O-N 2.9Å; Y429-L432 PolarHBondContact O-N 3.33Å; L432-E435 PolarHBondContact O-N 3.04Å; L432-N436 PolarHBondContact O-N 3.22Å |
| 433 | H | 96.2 | Very high | 94.9 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 177.6 | -176.4 | 76.8 | 0 | 0 | 0 | 112.3 | Y6 E89 L124 Y429 D430 V431 N436 K437 | Y6-H433 HydrophobicContact CE1-CB 3.6Å; Y6-H433 AromaticContact CE1-CG 3.56Å; Y6-H433 AromaticContact CE1-ND1 3.81Å; E89-H433 IonicContact OE1-CE1 3.97Å; E89-H433 IonicContact OE1-CG 3.62Å; E89-H433 IonicContact OE1-ND1 2.74Å; E89-H433 PolarHBondContact OE1-ND1 2.96Å; E89-H433 IonicContact OE2-ND1 3.67Å; L124-H433 HydrophobicContact CD1-CB 3.86Å; Y429-H433 VanDerWaalsContact O-CB 3.27Å; Y429-H433 WeakPolarHBondContact O-CB 3.48Å; Y429-H433 PolarHBondContact O-N 3.19Å; D430-H433 PolarHBondContact O-N 3.24Å; V431-H433 VanDerWaalsContact C-N 3.35Å; V431-H433 PolarHBondContact O-N 3.48Å; H433-N436 WeakPolarHBondContact O-CB 3.36Å; H433-N436 PolarHBondContact O-N 3.18Å; H433-K437 VanDerWaalsContact NE2-CE 3.33Å; H433-K437 WeakPolarHBondContact NE2-CE 3.38Å; H433-K437 PolarHBondContact O-N 3.23Å |
| 434 | M | 94.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 63.6 Ų | 63.6 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 173.7 | -72.9 | -173.3 | -66.7 | 0 | 0 | 112.2 | R421 V426 D430 V431 N436 R438 | R421-M434 PolarHBondContact NH1-SD 3.17Å; V426-M434 HydrophobicContact CG1-CE 4.15Å; D430-M434 WeakPolarHBondContact O-CB 3.48Å; D430-M434 WeakPolarHBondContact O-CE 3.44Å; D430-M434 VanDerWaalsContact O-CG 3.27Å; D430-M434 WeakPolarHBondContact O-CG 3.48Å; D430-M434 PolarHBondContact O-N 2.77Å; V431-M434 PolarHBondContact O-N 2.73Å; M434-N436 VanDerWaalsContact C-N 3.34Å; M434-R438 WeakPolarHBondContact O-CB 3.43Å; M434-R438 PolarHBondContact O-N 3.16Å |
| 435 | E | 95.9 | Very high | 95 | Very high | 101 Ų | 101 | 60.2 Ų | 60.2 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 171.5 | -161.1 | -151.4 | 106.7 | 0 | 0 | 111.7 | V431 L432 A439 R441 | V431-E435 PolarHBondContact O-N 3.45Å; L432-E435 PolarHBondContact O-N 3.04Å; E435-A439 WeakPolarHBondContact O-CB 3.37Å; E435-A439 PolarHBondContact O-N 3.44Å; E435-A439 VanDerWaalsContact O-N 3.12Å; E435-R441 VanDerWaalsContact C-NH2 3.29Å; E435-R441 PolarHBondContact O-NH2 2.92Å; E435-R441 IonicContact OE1-CZ 2.86Å; E435-R441 IonicContact OE1-NH1 2.71Å; E435-R441 PolarHBondContact OE1-NH1 2.9Å; E435-R441 IonicContact OE1-NH2 2.57Å; E435-R441 PolarHBondContact OE1-NH2 3.18Å |
| 436 | N | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -54.3 | 174.1 | -78.1 | -23.8 | 0 | 0 | 0 | 111.3 | T125 L432 H433 M434 R438 A439 G440 R441 | T125-N436 WeakPolarHBondContact CG2-OD1 3.06Å; T125-N436 PolarHBondContact OG1-ND2 3.14Å; T125-N436 PolarHBondContact OG1-OD1 2.86Å; L432-N436 PolarHBondContact O-N 3.22Å; H433-N436 WeakPolarHBondContact O-CB 3.36Å; H433-N436 PolarHBondContact O-N 3.18Å; M434-N436 VanDerWaalsContact C-N 3.34Å; N436-R438 PolarHBondContact O-N 3.43Å; N436-A439 CarbonylContact O-C 3.33Å; N436-A439 PolarHBondContact O-N 3.18Å; N436-A439 VanDerWaalsContact O-N 3.15Å; N436-G440 PolarHBondContact O-N 3.48Å; N436-R441 HydrophobicContact CB-CB 4.12Å; N436-R441 WeakPolarHBondContact O-CB 3.49Å; N436-R441 PolarHBondContact O-N 3.49Å; N436-R441 PolarHBondContact OD1-NE 3Å; N436-R441 PolarHBondContact OD1-NH1 3.05Å |
| 437 | K | 92.6 | Very high | 95 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.6 | -48 | 174.9 | -81.2 | -167.5 | 172.7 | -175.5 | 0 | 112.3 | E10 H433 A439 G440 | E10-K437 IonicContact OE1-NZ 2.75Å; E10-K437 PolarHBondContact OE1-NZ 3.03Å; H433-K437 VanDerWaalsContact NE2-CE 3.33Å; H433-K437 WeakPolarHBondContact NE2-CE 3.38Å; H433-K437 PolarHBondContact O-N 3.23Å; K437-A439 PolarHBondContact O-N 2.83Å; K437-G440 PolarHBondContact O-N 2.89Å |
| 438 | R | 93.9 | Very high | 94.9 | Very high | 235 Ų | 235 | 56.7 Ų | 56.7 | 89% | 0.887 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.8 | -31.4 | -179.9 | -176.1 | 177.6 | 178.9 | -171.5 | 0.5 | 113.3 | M434 N436 G440 | M434-R438 WeakPolarHBondContact O-CB 3.43Å; M434-R438 PolarHBondContact O-N 3.16Å; N436-R438 PolarHBondContact O-N 3.43Å; R438-G440 VanDerWaalsContact C-N 3.33Å |
| 439 | A | 94.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 51% | 0.512 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E435 N436 K437 R441 | E435-A439 WeakPolarHBondContact O-CB 3.37Å; E435-A439 PolarHBondContact O-N 3.44Å; E435-A439 VanDerWaalsContact O-N 3.12Å; N436-A439 CarbonylContact O-C 3.33Å; N436-A439 PolarHBondContact O-N 3.18Å; N436-A439 VanDerWaalsContact O-N 3.15Å; K437-A439 PolarHBondContact O-N 2.83Å; A439-R441 HydrophobicContact CB-CG 4.33Å; A439-R441 PolarHBondContact O-N 2.93Å |
| 440 | G | 93.4 | Very high | 94.8 | Very high | 44 Ų | 44 | 55.8 Ų | 55.8 | 45% | 0.454 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 20.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N436 K437 R438 K445 | N436-G440 PolarHBondContact O-N 3.48Å; K437-G440 PolarHBondContact O-N 2.89Å; R438-G440 VanDerWaalsContact C-N 3.33Å; G440-K445 WeakPolarHBondContact O-CD 3.39Å |
| 441 | R | 94.5 | Very high | 94.8 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 22% | 0.219 | 28% | 0.279 | C | S | . | . | trans | -85.4 | 129.4 | 178.8 | -73.3 | 173.9 | -74.5 | -175.2 | -4.3 | 110.9 | E435 N436 A439 | E435-R441 VanDerWaalsContact C-NH2 3.29Å; E435-R441 PolarHBondContact O-NH2 2.92Å; E435-R441 IonicContact OE1-CZ 2.86Å; E435-R441 IonicContact OE1-NH1 2.71Å; E435-R441 PolarHBondContact OE1-NH1 2.9Å; E435-R441 IonicContact OE1-NH2 2.57Å; E435-R441 PolarHBondContact OE1-NH2 3.18Å; N436-R441 HydrophobicContact CB-CB 4.12Å; N436-R441 WeakPolarHBondContact O-CB 3.49Å; N436-R441 PolarHBondContact O-N 3.49Å; N436-R441 PolarHBondContact OD1-NE 3Å; N436-R441 PolarHBondContact OD1-NH1 3.05Å; A439-R441 HydrophobicContact CB-CG 4.33Å; A439-R441 PolarHBondContact O-N 2.93Å | ||
| 442 | D | 93.7 | Very high | 94.6 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | trans | -121.6 | 177.3 | 161.8 | 65.9 | 79.3 | 0 | 0 | 0 | 110.2 | T398 Y444 K445 T446 | T398-D442 HydrophobicContact CG2-CB 4.19Å; D442-Y444 PolarHBondContact O-N 2.84Å; D442-Y444 WeakPolarHBondContact OD1-CA 3.35Å; D442-Y444 PolarHBondContact OD1-N 3.34Å; D442-K445 PolarHBondContact OD1-N 2.91Å; D442-K445 VanDerWaalsContact OD2-CB 3.31Å; D442-K445 WeakPolarHBondContact OD2-CB 3.5Å; D442-K445 WeakPolarHBondContact OD2-CD 3.33Å; D442-K445 WeakPolarHBondContact OD2-CE 3.27Å; D442-K445 WeakPolarHBondContact OD2-CG 3.34Å; D442-K445 IonicContact OD2-NZ 3.81Å; D442-K445 PolarHBondContact OD2-NZ 2.74Å; D442-T446 VanDerWaalsContact O-CB 3.23Å; D442-T446 WeakPolarHBondContact O-CB 3.47Å; D442-T446 PolarHBondContact O-N 2.74Å; D442-T446 PolarHBondContact O-OG1 3.33Å | ||
| 443 | K | 95.5 | Very high | 94.3 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53 | -45.6 | 179.5 | -171.3 | 169.5 | -170.5 | 167.9 | 0 | 113.5 | Q86 D87 L88 Y91 L447 | Q86-K443 PolarHBondContact O-NZ 2.7Å; D87-K443 WeakPolarHBondContact O-CB 3.48Å; D87-K443 VanDerWaalsContact O-CD 3.29Å; D87-K443 WeakPolarHBondContact O-CD 3.34Å; L88-K443 PolarHBondContact O-NZ 2.83Å; Y91-K443 PolarHBondContact O-NZ 3.25Å; K443-L447 HydrophobicContact CG-CD1 4.23Å; K443-L447 WeakPolarHBondContact O-CB 3.23Å; K443-L447 WeakPolarHBondContact O-CD1 3.35Å; K443-L447 WeakPolarHBondContact O-CG 3.3Å; K443-L447 PolarHBondContact O-N 3.41Å |
| 444 | Y | 94.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -83.6 | -37.5 | -175.5 | -55.2 | -61.6 | 0 | 0 | 0 | 112.8 | D87 L113 R396 T398 D442 T446 L447 R448 | D87-Y444 HydrophobicContact CB-CE2 4.39Å; D87-Y444 WeakPolarHBondContact OD1-CE2 3.37Å; D87-Y444 PolarHBondContact OD1-OH 3.45Å; L113-Y444 HydrophobicContact CD1-CE1 4.28Å; R396-Y444 HydrophobicContact CB-CD1 4.06Å; R396-Y444 HydrophobicContact CB-CE1 4.47Å; R396-Y444 HydrophobicContact CB-CG 4.13Å; R396-Y444 HydrophobicContact CG-CD1 4.02Å; R396-Y444 HydrophobicContact CG-CD2 3.99Å; R396-Y444 HydrophobicContact CG-CE1 4.01Å; R396-Y444 HydrophobicContact CG-CE2 3.94Å; R396-Y444 HydrophobicContact CG-CG 4.05Å; R396-Y444 PolarHBondContact NE-OH 3.47Å; R396-Y444 VanDerWaalsContact NE-OH 3.1Å; R396-Y444 PolarHBondContact NH2-OH 2.86Å; R396-Y444 WeakPolarHBondContact O-CB 3.28Å; T398-Y444 HydrophobicContact CG2-CD2 3.94Å; T398-Y444 HydrophobicContact CG2-CE2 4.07Å; D442-Y444 PolarHBondContact O-N 2.84Å; D442-Y444 WeakPolarHBondContact OD1-CA 3.35Å; D442-Y444 PolarHBondContact OD1-N 3.34Å; Y444-T446 VanDerWaalsContact C-N 3.32Å; Y444-T446 PolarHBondContact O-N 3.07Å; Y444-L447 HydrophobicContact CD1-CD1 4.27Å; Y444-L447 PolarHBondContact O-N 2.93Å; Y444-R448 WeakPolarHBondContact O-CB 3.44Å; Y444-R448 WeakPolarHBondContact O-CG 3.38Å; Y444-R448 PolarHBondContact O-N 3.39Å |
| 445 | K | 94.3 | Very high | 94.2 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 169.3 | -75.9 | -178.6 | -159.8 | 92.5 | 0 | 111.1 | E401 G440 D442 R448 Q449 | E401-K445 IonicContact OE1-NZ 3.24Å; E401-K445 PolarHBondContact OE1-NZ 3.17Å; G440-K445 WeakPolarHBondContact O-CD 3.39Å; D442-K445 PolarHBondContact OD1-N 2.91Å; D442-K445 VanDerWaalsContact OD2-CB 3.31Å; D442-K445 WeakPolarHBondContact OD2-CB 3.5Å; D442-K445 WeakPolarHBondContact OD2-CD 3.33Å; D442-K445 WeakPolarHBondContact OD2-CE 3.27Å; D442-K445 WeakPolarHBondContact OD2-CG 3.34Å; D442-K445 IonicContact OD2-NZ 3.81Å; D442-K445 PolarHBondContact OD2-NZ 2.74Å; K445-R448 PolarHBondContact O-N 3.05Å; K445-Q449 WeakPolarHBondContact O-CB 3.39Å; K445-Q449 PolarHBondContact O-N 3.21Å |
| 446 | T | 95.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 177.2 | -53 | 0 | 0 | 0 | 0 | 111.1 | T125 P126 D442 Y444 R448 Q449 I450 | T125-T446 HydrophobicContact CG2-CG2 3.98Å; P126-T446 HydrophobicContact CG-CG2 4.27Å; D442-T446 VanDerWaalsContact O-CB 3.23Å; D442-T446 WeakPolarHBondContact O-CB 3.47Å; D442-T446 PolarHBondContact O-N 2.74Å; D442-T446 PolarHBondContact O-OG1 3.33Å; Y444-T446 VanDerWaalsContact C-N 3.32Å; Y444-T446 PolarHBondContact O-N 3.07Å; T446-R448 VanDerWaalsContact C-N 3.33Å; T446-R448 PolarHBondContact O-N 3.05Å; T446-Q449 PolarHBondContact O-N 3.3Å; T446-Q449 VanDerWaalsContact O-N 3.12Å; T446-I450 HydrophobicContact CG2-CG2 4.36Å; T446-I450 WeakPolarHBondContact O-CG1 3.22Å; T446-I450 PolarHBondContact O-N 3.36Å |
| 447 | L | 94.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -40 | 175.6 | -78 | 168.1 | 0 | 0 | 0 | 113 | L113 N116 K443 Y444 I450 R451 | L113-L447 HydrophobicContact CD1-CD1 3.76Å; N116-L447 WeakPolarHBondContact OD1-CD2 3.29Å; K443-L447 HydrophobicContact CG-CD1 4.23Å; K443-L447 WeakPolarHBondContact O-CB 3.23Å; K443-L447 WeakPolarHBondContact O-CD1 3.35Å; K443-L447 WeakPolarHBondContact O-CG 3.3Å; K443-L447 PolarHBondContact O-N 3.41Å; Y444-L447 HydrophobicContact CD1-CD1 4.27Å; Y444-L447 PolarHBondContact O-N 2.93Å; L447-I450 HydrophobicContact CD2-CD1 4.4Å; L447-R451 WeakPolarHBondContact O-CB 3.5Å; L447-R451 VanDerWaalsContact O-CD 3.3Å; L447-R451 WeakPolarHBondContact O-CD 3.42Å; L447-R451 WeakPolarHBondContact O-CG 3.5Å; L447-R451 PolarHBondContact O-N 3Å |
| 448 | R | 93.9 | Very high | 94.4 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 171.8 | -77.8 | -178.1 | -78.9 | -86.8 | 2 | 111.4 | I394 R396 Y444 K445 T446 R451 | I394-R448 HydrophobicContact CG2-CG 4.42Å; I394-R448 VanDerWaalsContact O-CD 3.26Å; I394-R448 WeakPolarHBondContact O-CD 3.27Å; I394-R448 PolarHBondContact O-NH1 3.16Å; R396-R448 PolarHBondContact O-NH1 2.96Å; Y444-R448 WeakPolarHBondContact O-CB 3.44Å; Y444-R448 WeakPolarHBondContact O-CG 3.38Å; Y444-R448 PolarHBondContact O-N 3.39Å; K445-R448 PolarHBondContact O-N 3.05Å; T446-R448 VanDerWaalsContact C-N 3.33Å; T446-R448 PolarHBondContact O-N 3.05Å; R448-R451 PolarHBondContact O-N 2.99Å |
| 449 | Q | 94.7 | Very high | 94.6 | Very high | 131 Ų | 131 | 47.3 Ų | 47.3 | 61% | 0.612 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.2 | -46.8 | -176.5 | -174.1 | 179 | 3.4 | 0 | 0 | 112.5 | K445 T446 R451 A452 | K445-Q449 WeakPolarHBondContact O-CB 3.39Å; K445-Q449 PolarHBondContact O-N 3.21Å; T446-Q449 PolarHBondContact O-N 3.3Å; T446-Q449 VanDerWaalsContact O-N 3.12Å; Q449-R451 VanDerWaalsContact C-N 3.31Å; Q449-R451 PolarHBondContact O-N 2.91Å; Q449-A452 VanDerWaalsContact O-CB 3.28Å; Q449-A452 WeakPolarHBondContact O-CB 3.44Å; Q449-A452 PolarHBondContact O-N 2.97Å |
| 450 | I | 95 | Very high | 94.6 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -80.4 | -8.5 | -174.9 | 70.5 | 179.1 | 0 | 0 | 0 | 114.7 | P126 K127 G129 T446 L447 R458 | P126-I450 HydrophobicContact CB-CD1 3.58Å; P126-I450 HydrophobicContact CG-CD1 3.61Å; P126-I450 WeakPolarHBondContact O-CG2 3.34Å; K127-I450 WeakPolarHBondContact O-CG2 3.5Å; G129-I450 PolarHBondContact N-O 3.29Å; T446-I450 HydrophobicContact CG2-CG2 4.36Å; T446-I450 WeakPolarHBondContact O-CG1 3.22Å; T446-I450 PolarHBondContact O-N 3.36Å; L447-I450 HydrophobicContact CD2-CD1 4.4Å; I450-R458 WeakPolarHBondContact O-CD 3.41Å |
| 451 | R | 94.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 13% | 0.132 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -3.6 | 172.9 | -68.6 | 173.1 | -177.2 | -155.4 | -8.7 | 112.1 | L113 L447 R448 Q449 R458 | L113-R451 PolarHBondContact O-NH1 3.38Å; L113-R451 PolarHBondContact O-NH2 2.92Å; L447-R451 WeakPolarHBondContact O-CB 3.5Å; L447-R451 VanDerWaalsContact O-CD 3.3Å; L447-R451 WeakPolarHBondContact O-CD 3.42Å; L447-R451 WeakPolarHBondContact O-CG 3.5Å; L447-R451 PolarHBondContact O-N 3Å; R448-R451 PolarHBondContact O-N 2.99Å; Q449-R451 VanDerWaalsContact C-N 3.31Å; Q449-R451 PolarHBondContact O-N 2.91Å; R451-R458 VanDerWaalsContact O-CZ 3.32Å; R451-R458 PolarHBondContact O-NE 3.07Å; R451-R458 VanDerWaalsContact O-NE 3.14Å; R451-R458 PolarHBondContact O-NH2 3.26Å |
| 452 | A | 91.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 48% | 0.479 | 23% | 0.229 | S | C | . | . | trans | -65.9 | 144.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q449 | Q449-A452 VanDerWaalsContact O-CB 3.28Å; Q449-A452 WeakPolarHBondContact O-CB 3.44Å; Q449-A452 PolarHBondContact O-N 2.97Å | ||
| 453 | G | 91.1 | Very high | 95 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 79.5 | 171.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R458 | G453-R458 PolarHBondContact O-NE 2.93Å; G453-R458 VanDerWaalsContact O-NE 3.16Å; G453-R458 PolarHBondContact O-NH2 2.85Å |
| 454 | N | 92.8 | Very high | 95 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | trans | -71.8 | 161.1 | -177.3 | 66.3 | 15.3 | 0 | 0 | 0 | 112.8 | Q456 R457 R458 | N454-Q456 VanDerWaalsContact C-N 3.3Å; N454-Q456 PolarHBondContact O-N 2.92Å; N454-R457 PolarHBondContact O-N 3Å; N454-R457 WeakPolarHBondContact OD1-CB 3.37Å; N454-R457 PolarHBondContact OD1-N 3.27Å; N454-R458 PolarHBondContact O-N 3.28Å | ||
| 455 | T | 94.7 | Very high | 95 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | -177.7 | -45.9 | 0 | 0 | 0 | 0 | 111.9 | F130 E134 P149 R457 R458 I459 | F130-T455 HydrophobicContact CD1-CG2 3.97Å; F130-T455 HydrophobicContact CE1-CG2 3.93Å; E134-T455 VanDerWaalsContact CD-OG1 3.31Å; E134-T455 WeakPolarHBondContact OE2-CB 3.46Å; E134-T455 WeakPolarHBondContact OE2-CG2 3.43Å; E134-T455 PolarHBondContact OE2-OG1 2.78Å; P149-T455 HydrophobicContact CB-CG2 3.86Å; T455-R457 PolarHBondContact O-N 2.92Å; T455-R458 PolarHBondContact O-N 2.91Å; T455-I459 HydrophobicContact CG2-CD1 4.15Å; T455-I459 WeakPolarHBondContact O-CG1 3.44Å; T455-I459 PolarHBondContact O-N 3.08Å |
| 456 | Q | 96.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 16% | 0.159 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.4 | -49.7 | 175.1 | -175.3 | 50.1 | 47.4 | 0 | 0 | 112.8 | S154 R155 N454 R458 I459 D460 | S154-Q456 WeakPolarHBondContact OG-CB 3.4Å; S154-Q456 PolarHBondContact OG-N 3.28Å; S154-Q456 VanDerWaalsContact OG-N 3.1Å; R155-Q456 VanDerWaalsContact NE-NE2 3.17Å; N454-Q456 VanDerWaalsContact C-N 3.3Å; N454-Q456 PolarHBondContact O-N 2.92Å; Q456-R458 VanDerWaalsContact C-N 3.29Å; Q456-R458 PolarHBondContact O-N 3.48Å; Q456-I459 PolarHBondContact O-N 3.23Å; Q456-D460 PolarHBondContact NE2-OD1 3.28Å; Q456-D460 PolarHBondContact NE2-OD2 2.66Å; Q456-D460 VanDerWaalsContact O-CG 3.26Å; Q456-D460 PolarHBondContact O-N 2.9Å; Q456-D460 VanDerWaalsContact O-OD2 3.14Å |
| 457 | R | 96.3 | Very high | 94.5 | Very high | 148 Ų | 148 | 56.1 Ų | 56.1 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.9 | -40.8 | 177.6 | 176.4 | -178.6 | 174.3 | 176.8 | -0.2 | 112 | N454 T455 D460 Q461 | N454-R457 PolarHBondContact O-N 3Å; N454-R457 WeakPolarHBondContact OD1-CB 3.37Å; N454-R457 PolarHBondContact OD1-N 3.27Å; T455-R457 PolarHBondContact O-N 2.92Å; R457-D460 PolarHBondContact O-N 3.33Å; R457-Q461 WeakPolarHBondContact O-CG 3.45Å; R457-Q461 PolarHBondContact O-N 3.4Å; R457-Q461 PolarHBondContact O-OE1 2.98Å |
| 458 | R | 97 | Very high | 94.5 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.6 | -33.4 | 179.6 | -77.7 | -179.7 | -84.3 | 121.4 | -3.8 | 112.5 | I128 G129 F130 E134 I450 R451 G453 N454 T455 Q456 Q461 F462 | I128-R458 HydrophobicContact CG2-CB 3.81Å; I128-R458 HydrophobicContact CG2-CG 4.16Å; G129-R458 WeakPolarHBondContact O-CD 3.49Å; G129-R458 PolarHBondContact O-NH1 3.44Å; F130-R458 HydrophobicContact CE1-CB 3.62Å; F130-R458 HydrophobicContact CZ-CB 3.85Å; E134-R458 VanDerWaalsContact CD-NH2 3.32Å; E134-R458 IonicContact OE1-CZ 2.72Å; E134-R458 IonicContact OE1-NH1 3.47Å; E134-R458 PolarHBondContact OE1-NH1 3.24Å; E134-R458 IonicContact OE1-NH2 2.68Å; E134-R458 PolarHBondContact OE1-NH2 2.99Å; E134-R458 IonicContact OE2-CZ 3.79Å; E134-R458 IonicContact OE2-NH1 2.69Å; E134-R458 PolarHBondContact OE2-NH1 3.13Å; E134-R458 IonicContact OE2-NH2 3.19Å; E134-R458 PolarHBondContact OE2-NH2 3.32Å; E134-R458 VanDerWaalsContact OE2-NH2 3.15Å; I450-R458 WeakPolarHBondContact O-CD 3.41Å; R451-R458 VanDerWaalsContact O-CZ 3.32Å; R451-R458 PolarHBondContact O-NE 3.07Å; R451-R458 VanDerWaalsContact O-NE 3.14Å; R451-R458 PolarHBondContact O-NH2 3.26Å; G453-R458 PolarHBondContact O-NE 2.93Å; G453-R458 VanDerWaalsContact O-NE 3.16Å; G453-R458 PolarHBondContact O-NH2 2.85Å; N454-R458 PolarHBondContact O-N 3.28Å; T455-R458 PolarHBondContact O-N 2.91Å; Q456-R458 VanDerWaalsContact C-N 3.29Å; Q456-R458 PolarHBondContact O-N 3.48Å; R458-Q461 PolarHBondContact O-N 3.06Å; R458-F462 PolarHBondContact O-N 3.05Å; R458-F462 VanDerWaalsContact O-N 3.12Å |
| 459 | I | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 169.5 | -65.7 | 172.8 | 0 | 0 | 0 | 111 | F130 R155 F157 T455 Q456 Q461 F462 E463 | F130-I459 HydrophobicContact CE1-CG1 3.93Å; F130-I459 HydrophobicContact CZ-CG1 3.87Å; R155-I459 WeakPolarHBondContact O-CD1 3.23Å; F157-I459 HydrophobicContact CB-CD1 3.84Å; F157-I459 HydrophobicContact CB-CG1 4.01Å; T455-I459 HydrophobicContact CG2-CD1 4.15Å; T455-I459 WeakPolarHBondContact O-CG1 3.44Å; T455-I459 PolarHBondContact O-N 3.08Å; Q456-I459 PolarHBondContact O-N 3.23Å; I459-Q461 VanDerWaalsContact C-N 3.34Å; I459-Q461 PolarHBondContact O-N 3.25Å; I459-F462 WeakPolarHBondContact O-CB 3.04Å; I459-F462 PolarHBondContact O-N 3.4Å; I459-E463 PolarHBondContact O-N 2.89Å; I459-E463 VanDerWaalsContact O-N 3.14Å |
| 460 | D | 95.8 | Very high | 94.5 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.6 | -31.6 | 176.6 | -66.3 | -33.3 | 0 | 0 | 0 | 112.7 | R155 Q456 R457 N464 | R155-D460 IonicContact CZ-OD1 3.16Å; R155-D460 IonicContact NE-OD1 3.31Å; R155-D460 IonicContact NH2-OD1 3.42Å; R155-D460 PolarHBondContact NH2-OD1 3.16Å; Q456-D460 PolarHBondContact NE2-OD1 3.28Å; Q456-D460 PolarHBondContact NE2-OD2 2.66Å; Q456-D460 VanDerWaalsContact O-CG 3.26Å; Q456-D460 PolarHBondContact O-N 2.9Å; Q456-D460 VanDerWaalsContact O-OD2 3.14Å; R457-D460 PolarHBondContact O-N 3.33Å; D460-N464 WeakPolarHBondContact O-CB 3.3Å; D460-N464 PolarHBondContact O-N 3.06Å; D460-N464 PolarHBondContact O-ND2 2.6Å |
| 461 | Q | 96.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 54.9 Ų | 54.9 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 169.7 | -73.7 | 169.8 | -61.1 | 0 | 0 | 111.1 | I128 R457 R458 I459 E463 N464 M465 | I128-Q461 HydrophobicContact CD1-CB 3.69Å; I128-Q461 HydrophobicContact CG1-CB 4.35Å; R457-Q461 WeakPolarHBondContact O-CG 3.45Å; R457-Q461 PolarHBondContact O-N 3.4Å; R457-Q461 PolarHBondContact O-OE1 2.98Å; R458-Q461 PolarHBondContact O-N 3.06Å; I459-Q461 VanDerWaalsContact C-N 3.34Å; I459-Q461 PolarHBondContact O-N 3.25Å; Q461-E463 PolarHBondContact O-N 3.28Å; Q461-N464 CarbonylContact O-C 3.51Å; Q461-N464 WeakPolarHBondContact O-CA 3.35Å; Q461-N464 PolarHBondContact O-N 3.4Å; Q461-M465 WeakPolarHBondContact O-CG 3.42Å; Q461-M465 PolarHBondContact O-N 3.18Å |
| 462 | F | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | -180 | 169.3 | -96.2 | 0 | 0 | 0 | 113.2 | I98 N100 L106 I117 I128 F157 I158 F159 R458 I459 N464 M465 | I98-F462 HydrophobicContact CD1-CE2 3.95Å; I98-F462 HydrophobicContact CD1-CZ 4.21Å; N100-F462 HydrophobicContact CB-CD1 4.04Å; N100-F462 HydrophobicContact CB-CE1 3.38Å; N100-F462 HydrophobicContact CB-CE2 4.17Å; N100-F462 HydrophobicContact CB-CZ 3.45Å; N100-F462 VanDerWaalsContact CB-CZ 3.45Å; N100-F462 PolarHBondContact ND2-O 3Å; N100-F462 VanDerWaalsContact ND2-O 3.09Å; L106-F462 HydrophobicContact CD1-CD2 3.99Å; L106-F462 HydrophobicContact CD1-CE2 3.55Å; L106-F462 HydrophobicContact CD1-CZ 4.28Å; I117-F462 HydrophobicContact CD1-CD2 4.32Å; I117-F462 HydrophobicContact CD1-CE2 4.27Å; I117-F462 HydrophobicContact CG1-CD2 4.05Å; I117-F462 HydrophobicContact CG1-CE2 4.47Å; I117-F462 HydrophobicContact CG2-CD2 3.98Å; I117-F462 HydrophobicContact CG2-CE2 4.16Å; I128-F462 VanDerWaalsContact CD1-CA 3.46Å; I128-F462 HydrophobicContact CD1-CB 3.81Å; F157-F462 HydrophobicContact CD2-CD1 4.08Å; F157-F462 HydrophobicContact CD2-CE1 4.32Å; F157-F462 HydrophobicContact CD2-CG 4.4Å; F157-F462 HydrophobicContact CE2-CB 4.48Å; F157-F462 AromaticContact CE2-CD1 3.61Å; F157-F462 HydrophobicContact CE2-CD1 3.61Å; F157-F462 AromaticContact CE2-CD2 3.86Å; F157-F462 HydrophobicContact CE2-CD2 3.86Å; F157-F462 AromaticContact CE2-CE1 3.68Å; F157-F462 HydrophobicContact CE2-CE1 3.68Å; F157-F462 AromaticContact CE2-CE2 3.92Å; F157-F462 HydrophobicContact CE2-CE2 3.92Å; F157-F462 AromaticContact CE2-CG 3.7Å; F157-F462 HydrophobicContact CE2-CG 3.7Å; F157-F462 AromaticContact CE2-CZ 3.83Å; F157-F462 HydrophobicContact CE2-CZ 3.83Å; F157-F462 HydrophobicContact CZ-CD2 4.43Å; F157-F462 HydrophobicContact CZ-CE2 4.31Å; F157-F462 HydrophobicContact CZ-CZ 4.43Å; I158-F462 WeakPolarHBondContact O-CE1 3.47Å; F159-F462 HydrophobicContact CB-CE1 4.4Å; F159-F462 HydrophobicContact CB-CZ 3.82Å; R458-F462 PolarHBondContact O-N 3.05Å; R458-F462 VanDerWaalsContact O-N 3.12Å; I459-F462 WeakPolarHBondContact O-CB 3.04Å; I459-F462 PolarHBondContact O-N 3.4Å; F462-N464 PolarHBondContact O-N 2.68Å; F462-M465 PolarHBondContact O-N 2.75Å |
| 463 | E | 95.5 | Very high | 94.6 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.6 | 176.3 | -58.5 | -69.9 | -166.5 | 0 | 0 | 112.8 | K101 K102 I459 Q461 | K101-E463 VanDerWaalsContact CB-OE2 3.31Å; K101-E463 WeakPolarHBondContact CB-OE2 3.49Å; K101-E463 WeakPolarHBondContact CD-OE1 3.41Å; K101-E463 WeakPolarHBondContact CG-OE1 3.48Å; K101-E463 WeakPolarHBondContact CG-OE2 3.38Å; K101-E463 PolarHBondContact N-OE2 3.45Å; K101-E463 IonicContact NZ-OE1 3.27Å; K101-E463 PolarHBondContact NZ-OE1 3.41Å; K102-E463 VanDerWaalsContact CD-O 3.32Å; K102-E463 WeakPolarHBondContact CD-O 3.45Å; K102-E463 WeakPolarHBondContact CE-O 3.47Å; K102-E463 PolarHBondContact NZ-O 3.03Å; I459-E463 PolarHBondContact O-N 2.89Å; I459-E463 VanDerWaalsContact O-N 3.14Å; Q461-E463 PolarHBondContact O-N 3.28Å |
| 464 | N | 95.5 | Very high | 94.9 | Very high | 108 Ų | 108 | 57.2 Ų | 57.2 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -1.2 | 175.1 | -72.7 | -53.7 | 0 | 0 | 0 | 114.9 | K102 D460 Q461 F462 | K102-N464 PolarHBondContact NZ-OD1 3.03Å; D460-N464 WeakPolarHBondContact O-CB 3.3Å; D460-N464 PolarHBondContact O-N 3.06Å; D460-N464 PolarHBondContact O-ND2 2.6Å; Q461-N464 CarbonylContact O-C 3.51Å; Q461-N464 WeakPolarHBondContact O-CA 3.35Å; Q461-N464 PolarHBondContact O-N 3.4Å; F462-N464 PolarHBondContact O-N 2.68Å |
| 465 | M | 95.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 11% | 0.108 | 27% | 0.268 | C | S | . | . | trans | -62.9 | 148.9 | 161.9 | -58.9 | -175.4 | 78.1 | 0 | 0 | 109.9 | N100 S104 L106 I117 E119 K127 I128 Q461 F462 | N100-M465 PolarHBondContact ND2-O 3.01Å; S104-M465 PolarHBondContact OG-O 3.18Å; S104-M465 VanDerWaalsContact OG-O 3.09Å; L106-M465 HydrophobicContact CD1-CB 4.15Å; L106-M465 HydrophobicContact CD1-SD 4.08Å; L106-M465 HydrophobicContact CD2-CB 4.12Å; L106-M465 HydrophobicContact CD2-CE 3.68Å; L106-M465 HydrophobicContact CD2-SD 4.01Å; I117-M465 HydrophobicContact CG2-CE 4.45Å; I117-M465 HydrophobicContact CG2-SD 3.85Å; E119-M465 HydrophobicContact CG-CE 3.6Å; K127-M465 HydrophobicContact CB-CE 4.09Å; K127-M465 HydrophobicContact CG-CE 4.04Å; I128-M465 HydrophobicContact CD1-CG 4.21Å; I128-M465 HydrophobicContact CD1-SD 3.65Å; I128-M465 HydrophobicContact CG1-SD 4.32Å; Q461-M465 WeakPolarHBondContact O-CG 3.42Å; Q461-M465 PolarHBondContact O-N 3.18Å; F462-M465 PolarHBondContact O-N 2.75Å | ||
| 466 | V | 84 | Confident | 95.1 | Very high | 158 Ų | 158 | 57 Ų | 57 | 96% | 0.958 | 28% | 0.284 | S | S | * | . | trans | -116.3 | 0 | -176.8 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | S104 | S104-V466 WeakPolarHBondContact CA-OXT 3.21Å; S104-V466 WeakPolarHBondContact CB-OXT 3.43Å; S104-V466 VanDerWaalsContact OG-C 3.28Å; S104-V466 VanDerWaalsContact OG-CA 3.29Å; S104-V466 WeakPolarHBondContact OG-CA 3.49Å; S104-V466 PolarHBondContact OG-OXT 3.14Å |
Retrieved 466 of 466 residues in 131.6 ms
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