| 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 | 35.6 | Very low | 64.2 | Low | 218 Ų | 218 | 103.9 Ų | 103.9 | 100% | 1.074 | 54% | 0.538 | S | S | * | . | 0 | -14.7 | 0 | -79.2 | -168.3 | -93 | 0 | 0 | 113 | |||||
| 2 | E | 40.8 | Very low | 66.5 | Low | 172 Ų | 172 | 106.4 Ų | 106.4 | 80% | 0.804 | 55% | 0.545 | S | S | * | . | trans | -77.5 | -24.8 | 178.6 | -70.5 | 173.3 | 164.8 | 0 | 0 | 114.9 | E4 | E2-E4 PolarHBondContact O-N 3.44Š| ||
| 3 | N | 43.6 | Very low | 68.6 | Low | 145 Ų | 145 | 99.5 Ų | 99.5 | 78% | 0.775 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.3 | -23.1 | -178.2 | -76.4 | -8 | 0 | 0 | 0 | 115 | T7 | N3-T7 PolarHBondContact O-OG1 3.49Å |
| 4 | E | 48.5 | Very low | 70.3 | Confident | 164 Ų | 164 | 92.8 Ų | 92.8 | 77% | 0.766 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -84.5 | -22.6 | -179.8 | -71.4 | 179.8 | 171 | 0 | 0 | 112.8 | E2 | E2-E4 PolarHBondContact O-N 3.44Å |
| 5 | V | 55.8 | Low | 71.7 | Confident | 105 Ų | 105 | 94.4 Ų | 94.4 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -85.6 | -23.1 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | P8 | V5-P8 WeakPolarHBondContact O-CD 3.3Å |
| 6 | F | 65.9 | Low | 73.2 | Confident | 33 Ų | 33 | 91 Ų | 91 | 15% | 0.145 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -84.4 | -23.6 | -177.7 | -164.7 | -100.7 | 0 | 0 | 0 | 113.9 | L9 L10 L113 S114 L118 | F6-L9 PolarHBondContact O-N 3.39Å; F6-L10 HydrophobicContact CD1-CB 4.27Å; F6-L10 HydrophobicContact CE1-CB 3.97Å; F6-L10 PolarHBondContact O-N 3.38Å; F6-L10 VanDerWaalsContact O-N 3.09Å; F6-L113 HydrophobicContact CD1-CB 3.92Å; F6-L113 WeakPolarHBondContact CD2-O 3.49Å; F6-L113 HydrophobicContact CE1-CB 3.54Å; F6-L113 HydrophobicContact CE1-CD2 3.89Å; F6-L113 HydrophobicContact CE1-CG 4.31Å; F6-L113 WeakPolarHBondContact CE1-O 3.37Å; F6-L113 VanDerWaalsContact CE2-C 3.43Å; F6-L113 WeakPolarHBondContact CE2-O 3.28Å; F6-L113 VanDerWaalsContact CZ-CA 3.47Å; F6-L113 HydrophobicContact CZ-CB 4.15Å; F6-L113 WeakPolarHBondContact CZ-O 3.35Å; F6-S114 VanDerWaalsContact CE2-C 3.44Å; F6-L118 HydrophobicContact CE2-CD1 4.03Å; F6-L118 HydrophobicContact CZ-CD1 3.63Å; F6-L118 HydrophobicContact CZ-CD2 4.23Å; F6-L118 HydrophobicContact CZ-CG 3.84Å |
| 7 | T | 71.1 | Confident | 74.5 | Confident | 66 Ų | 66 | 87.4 Ų | 87.4 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.8 | -48.4 | -180 | -42.6 | 0 | 0 | 0 | 0 | 112.3 | N3 L9 L10 E11 | N3-T7 PolarHBondContact O-OG1 3.49Å; T7-L9 PolarHBondContact O-N 3.4Å; T7-L10 PolarHBondContact O-N 3.48Å; T7-E11 HydrophobicContact CG2-CG 4.28Å; T7-E11 WeakPolarHBondContact O-CB 3.42Å; T7-E11 WeakPolarHBondContact O-CG 3.42Å; T7-E11 PolarHBondContact O-N 3.5Å |
| 8 | P | 81.2 | Confident | 75.7 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 53% | 0.532 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 179.1 | -23.4 | 34.6 | 0 | 0 | 0 | 114.5 | V5 E11 Q12 | V5-P8 WeakPolarHBondContact O-CD 3.3Å; P8-E11 PolarHBondContact O-N 3.16Å; P8-Q12 WeakPolarHBondContact O-CB 3.35Å; P8-Q12 PolarHBondContact O-N 3.06Å |
| 9 | L | 86.3 | Confident | 76.6 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 36% | 0.356 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 179.4 | -76.2 | 166.1 | 0 | 0 | 0 | 111.5 | F6 T7 E11 Q12 F13 L118 | F6-L9 PolarHBondContact O-N 3.39Å; T7-L9 PolarHBondContact O-N 3.4Å; L9-E11 VanDerWaalsContact C-N 3.31Å; L9-E11 PolarHBondContact O-N 3.43Å; L9-Q12 PolarHBondContact O-N 3.46Å; L9-F13 WeakPolarHBondContact O-CB 3.34Å; L9-F13 PolarHBondContact O-N 3.05Å; L9-L118 HydrophobicContact CB-CD1 4.22Å |
| 10 | L | 89.1 | Confident | 77.4 | Confident | 8 Ų | 8 | 76.3 Ų | 76.3 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 173.8 | 178.1 | 63.5 | 0 | 0 | 0 | 111 | F6 T7 Q12 F13 M14 L36 Y39 L113 L118 | F6-L10 HydrophobicContact CD1-CB 4.27Å; F6-L10 HydrophobicContact CE1-CB 3.97Å; F6-L10 PolarHBondContact O-N 3.38Å; F6-L10 VanDerWaalsContact O-N 3.09Å; T7-L10 PolarHBondContact O-N 3.48Å; L10-Q12 VanDerWaalsContact C-N 3.31Å; L10-Q12 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 3.48Å; L10-M14 HydrophobicContact CD1-CG 4.33Å; L10-M14 VanDerWaalsContact O-CG 3.29Å; L10-M14 WeakPolarHBondContact O-CG 3.49Å; L10-M14 PolarHBondContact O-N 2.96Å; L10-L36 HydrophobicContact CD2-CB 4.26Å; L10-L36 HydrophobicContact CD2-CD1 3.76Å; L10-Y39 HydrophobicContact CD1-CD1 3.63Å; L10-Y39 HydrophobicContact CD1-CD2 3.92Å; L10-Y39 HydrophobicContact CD1-CE1 4.19Å; L10-Y39 HydrophobicContact CD1-CE2 4.47Å; L10-Y39 HydrophobicContact CD1-CG 3.49Å; L10-Y39 VanDerWaalsContact CD1-CG 3.49Å; L10-L113 HydrophobicContact CD2-CD2 4.24Å; L10-L118 HydrophobicContact CD1-CD2 3.91Å |
| 11 | E | 88.8 | Confident | 78.2 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 178.4 | -75.4 | -156.8 | -155.2 | 0 | 0 | 113.3 | T7 P8 L9 L15 K35 | T7-E11 HydrophobicContact CG2-CG 4.28Å; T7-E11 WeakPolarHBondContact O-CB 3.42Å; T7-E11 WeakPolarHBondContact O-CG 3.42Å; T7-E11 PolarHBondContact O-N 3.5Å; P8-E11 PolarHBondContact O-N 3.16Å; L9-E11 VanDerWaalsContact C-N 3.31Å; L9-E11 PolarHBondContact O-N 3.43Å; E11-L15 WeakPolarHBondContact O-CG 3.48Å; E11-K35 HydrophobicContact CB-CD 4.04Å; E11-K35 HydrophobicContact CG-CD 3.57Å; E11-K35 IonicContact OE2-NZ 3.06Å; E11-K35 PolarHBondContact OE2-NZ 2.75Å |
| 12 | Q | 91.1 | Very high | 80.9 | Confident | 134 Ų | 134 | 62.3 Ų | 62.3 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -69.6 | -42.9 | 173.9 | -174.7 | 178.5 | 3.7 | 0 | 0 | 111.2 | P8 L9 L10 M14 L15 T16 | P8-Q12 WeakPolarHBondContact O-CB 3.35Å; P8-Q12 PolarHBondContact O-N 3.06Å; L9-Q12 PolarHBondContact O-N 3.46Å; L10-Q12 VanDerWaalsContact C-N 3.31Å; L10-Q12 PolarHBondContact O-N 3.46Å; Q12-M14 VanDerWaalsContact C-N 3.31Å; Q12-M14 PolarHBondContact O-N 2.86Å; Q12-L15 PolarHBondContact O-N 3.05Å; Q12-L15 VanDerWaalsContact O-N 3.11Å; Q12-T16 PolarHBondContact O-N 3.21Å |
| 13 | F | 94 | Very high | 83.1 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 176.3 | 177.2 | -96.8 | 0 | 0 | 0 | 111.9 | L9 L10 L15 T16 V19 Y39 L118 M121 R122 | L9-F13 WeakPolarHBondContact O-CB 3.34Å; L9-F13 PolarHBondContact O-N 3.05Å; L10-F13 PolarHBondContact O-N 3.48Å; F13-L15 PolarHBondContact O-N 3.49Å; F13-L15 VanDerWaalsContact O-N 3.15Å; F13-T16 HydrophobicContact CD2-CG2 4.48Å; F13-T16 VanDerWaalsContact O-CB 3.29Å; F13-T16 WeakPolarHBondContact O-CB 3.41Å; F13-T16 VanDerWaalsContact O-CG2 3.25Å; F13-T16 WeakPolarHBondContact O-CG2 3.47Å; F13-T16 PolarHBondContact O-N 3.2Å; F13-T16 PolarHBondContact O-OG1 3.43Å; F13-V19 HydrophobicContact CD1-CG2 4.15Å; F13-V19 HydrophobicContact CE1-CG2 3.63Å; F13-V19 HydrophobicContact CZ-CG2 3.91Å; F13-V19 WeakPolarHBondContact O-CG2 3.27Å; F13-Y39 AromaticContact CD1-CD2 3.99Å; F13-Y39 HydrophobicContact CD1-CD2 3.99Å; F13-Y39 AromaticContact CD1-CE2 3.9Å; F13-Y39 HydrophobicContact CD1-CE2 3.9Å; F13-Y39 AromaticContact CE1-CD2 3.8Å; F13-Y39 HydrophobicContact CE1-CD2 3.8Å; F13-Y39 AromaticContact CE1-CE2 3.53Å; F13-Y39 HydrophobicContact CE1-CE2 3.53Å; F13-Y39 HydrophobicContact CZ-CE2 4.37Å; F13-L118 HydrophobicContact CB-CD1 4.16Å; F13-L118 HydrophobicContact CB-CD2 4.07Å; F13-L118 HydrophobicContact CD1-CD2 3.85Å; F13-L118 HydrophobicContact CD2-CB 4.08Å; F13-L118 HydrophobicContact CD2-CD2 4.38Å; F13-L118 HydrophobicContact CE1-CD2 4.44Å; F13-L118 WeakPolarHBondContact CE2-O 3.31Å; F13-L118 HydrophobicContact CG-CB 4.33Å; F13-L118 HydrophobicContact CG-CD2 3.82Å; F13-L118 HydrophobicContact CG-CG 4.46Å; F13-M121 HydrophobicContact CE1-CG 4.11Å; F13-M121 HydrophobicContact CZ-CB 3.96Å; F13-M121 HydrophobicContact CZ-CG 3.71Å; F13-R122 HydrophobicContact CE2-CB 4.16Å |
| 14 | M | 92.5 | Very high | 85.2 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.8 | 179.2 | -67.8 | -57.9 | -67.7 | 0 | 0 | 114.2 | L10 Q12 V19 K35 E38 Y39 L42 | L10-M14 HydrophobicContact CD1-CG 4.33Å; L10-M14 VanDerWaalsContact O-CG 3.29Å; L10-M14 WeakPolarHBondContact O-CG 3.49Å; L10-M14 PolarHBondContact O-N 2.96Å; Q12-M14 VanDerWaalsContact C-N 3.31Å; Q12-M14 PolarHBondContact O-N 2.86Å; M14-V19 HydrophobicContact CE-CG1 3.91Å; M14-V19 HydrophobicContact SD-CG1 4.12Å; M14-K35 HydrophobicContact CG-CB 4.31Å; M14-E38 HydrophobicContact CE-CB 3.51Å; M14-E38 WeakPolarHBondContact CE-OE2 3.48Å; M14-Y39 HydrophobicContact SD-CD2 3.94Å; M14-Y39 HydrophobicContact SD-CG 4.33Å; M14-L42 HydrophobicContact SD-CD1 4.46Å |
| 15 | L | 91.5 | Very high | 86.9 | Confident | 117 Ų | 117 | 45 Ų | 45 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 1.1 | 172.6 | -64.6 | 172.7 | 0 | 0 | 0 | 112.8 | E11 Q12 F13 | E11-L15 WeakPolarHBondContact O-CG 3.48Å; Q12-L15 PolarHBondContact O-N 3.05Å; Q12-L15 VanDerWaalsContact O-N 3.11Å; F13-L15 PolarHBondContact O-N 3.49Å; F13-L15 VanDerWaalsContact O-N 3.15Å |
| 16 | T | 95.3 | Very high | 87.5 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -69.7 | 150.4 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | Q12 F13 L18 V19 C20 | Q12-T16 PolarHBondContact O-N 3.21Å; F13-T16 HydrophobicContact CD2-CG2 4.48Å; F13-T16 VanDerWaalsContact O-CB 3.29Å; F13-T16 WeakPolarHBondContact O-CB 3.41Å; F13-T16 VanDerWaalsContact O-CG2 3.25Å; F13-T16 WeakPolarHBondContact O-CG2 3.47Å; F13-T16 PolarHBondContact O-N 3.2Å; F13-T16 PolarHBondContact O-OG1 3.43Å; T16-L18 VanDerWaalsContact C-N 3.25Å; T16-L18 PolarHBondContact O-N 3.26Å; T16-V19 PolarHBondContact O-N 3.14Å; T16-V19 WeakPolarHBondContact OG1-CG2 3.26Å; T16-C20 PolarHBondContact O-N 3.22Å; T16-C20 PolarHBondContact O-SG 3.24Å |
| 17 | P | 95.4 | Very high | 87.5 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 20% | 0.195 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.3 | -35.2 | -178.2 | -27.5 | 35.2 | 0 | 0 | 0 | 114.4 | C20 W21 T152 A155 I156 | P17-C20 PolarHBondContact O-N 3.22Å; P17-W21 WeakPolarHBondContact O-CB 3.23Å; P17-W21 PolarHBondContact O-N 3.17Å; P17-T152 HydrophobicContact CB-CG2 4.11Å; P17-A155 HydrophobicContact CB-CB 3.89Å; P17-A155 HydrophobicContact CG-CB 3.47Å; P17-A155 VanDerWaalsContact CG-CB 3.47Å; P17-I156 HydrophobicContact CB-CG1 3.91Å |
| 18 | L | 95.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 177.3 | -68.6 | 173.6 | 0 | 0 | 0 | 112.4 | T16 W21 V22 R122 L125 L126 L129 H159 | T16-L18 VanDerWaalsContact C-N 3.25Å; T16-L18 PolarHBondContact O-N 3.26Å; L18-W21 PolarHBondContact O-N 3.47Å; L18-V22 WeakPolarHBondContact O-CG2 3.35Å; L18-V22 PolarHBondContact O-N 3.3Å; L18-R122 HydrophobicContact CD1-CG 3.8Å; L18-L125 HydrophobicContact CB-CB 4.06Å; L18-L125 HydrophobicContact CB-CD1 4.26Å; L18-L125 HydrophobicContact CD1-CB 4.45Å; L18-L126 HydrophobicContact CD1-CB 4Å; L18-L126 HydrophobicContact CD1-CD1 4.49Å; L18-L126 HydrophobicContact CD2-CD1 4.39Å; L18-L129 HydrophobicContact CD2-CB 4.41Å; L18-L129 HydrophobicContact CD2-CD2 3.63Å; L18-H159 HydrophobicContact CD2-CB 4.14Å |
| 19 | V | 93.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 176 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | F13 M14 T16 W21 V22 K23 L42 L125 | F13-V19 HydrophobicContact CD1-CG2 4.15Å; F13-V19 HydrophobicContact CE1-CG2 3.63Å; F13-V19 HydrophobicContact CZ-CG2 3.91Å; F13-V19 WeakPolarHBondContact O-CG2 3.27Å; M14-V19 HydrophobicContact CE-CG1 3.91Å; M14-V19 HydrophobicContact SD-CG1 4.12Å; T16-V19 PolarHBondContact O-N 3.14Å; T16-V19 WeakPolarHBondContact OG1-CG2 3.26Å; V19-W21 VanDerWaalsContact C-N 3.3Å; V19-W21 PolarHBondContact O-N 3.4Å; V19-V22 PolarHBondContact O-N 3.16Å; V19-K23 HydrophobicContact CG1-CD 4.17Å; V19-K23 HydrophobicContact CG1-CG 4.46Å; V19-K23 WeakPolarHBondContact O-CB 3.48Å; V19-K23 WeakPolarHBondContact O-CG 3.36Å; V19-K23 PolarHBondContact O-N 3.47Å; V19-L42 HydrophobicContact CG1-CD1 4.48Å; V19-L125 HydrophobicContact CG2-CD1 3.79Å |
| 20 | C | 91.9 | Very high | 83.9 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 174 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | T16 P17 K23 S24 T152 | T16-C20 PolarHBondContact O-N 3.22Å; T16-C20 PolarHBondContact O-SG 3.24Å; P17-C20 PolarHBondContact O-N 3.22Å; C20-K23 PolarHBondContact O-N 2.98Å; C20-S24 PolarHBondContact O-N 3.46Å; C20-T152 HydrophobicContact CB-CG2 4.01Å |
| 21 | W | 93.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -53.5 | 174.5 | 169.1 | 66.9 | 0 | 0 | 0 | 112.1 | P17 L18 V19 K23 S24 V25 L128 L129 A132 I145 I156 | P17-W21 WeakPolarHBondContact O-CB 3.23Å; P17-W21 PolarHBondContact O-N 3.17Å; L18-W21 PolarHBondContact O-N 3.47Å; V19-W21 VanDerWaalsContact C-N 3.3Å; V19-W21 PolarHBondContact O-N 3.4Å; W21-K23 PolarHBondContact O-N 3.5Å; W21-S24 WeakPolarHBondContact O-CA 3.48Å; W21-S24 WeakPolarHBondContact O-CB 3.36Å; W21-S24 PolarHBondContact O-N 3.21Å; W21-S24 PolarHBondContact O-OG 2.71Å; W21-V25 HydrophobicContact CD2-CG2 4.44Å; W21-V25 HydrophobicContact CZ2-CG2 3.99Å; W21-V25 WeakPolarHBondContact O-CG2 3.48Å; W21-V25 PolarHBondContact O-N 3.28Å; W21-L128 HydrophobicContact CH2-CG 4.25Å; W21-L129 HydrophobicContact CD2-CB 4.39Å; W21-L129 HydrophobicContact CD2-CD1 3.58Å; W21-L129 VanDerWaalsContact CE2-CD1 3.43Å; W21-L129 HydrophobicContact CE3-CB 3.89Å; W21-L129 HydrophobicContact CE3-CD1 3.98Å; W21-L129 HydrophobicContact CE3-CG 4.45Å; W21-L129 HydrophobicContact CG-CD1 4.05Å; W21-L129 HydrophobicContact CH2-CB 3.92Å; W21-L129 HydrophobicContact CH2-CD1 4.23Å; W21-L129 HydrophobicContact CZ2-CB 4.36Å; W21-L129 HydrophobicContact CZ2-CD1 3.81Å; W21-L129 HydrophobicContact CZ3-CB 3.64Å; W21-L129 HydrophobicContact CZ3-CD1 4.29Å; W21-A132 HydrophobicContact CH2-CB 4Å; W21-A132 HydrophobicContact CZ2-CB 3.54Å; W21-I145 VanDerWaalsContact CD1-CG1 3.42Å; W21-I145 HydrophobicContact CG-CG1 4.5Å; W21-I156 HydrophobicContact CB-CD1 3.8Å; W21-I156 HydrophobicContact CB-CG1 4.44Å |
| 22 | V | 92.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58 | -35.4 | -179.2 | 164 | 0 | 0 | 0 | 0 | 112.6 | L18 V19 S24 V25 L42 Y47 L48 I51 L125 | L18-V22 WeakPolarHBondContact O-CG2 3.35Å; L18-V22 PolarHBondContact O-N 3.3Å; V19-V22 PolarHBondContact O-N 3.16Å; V22-S24 VanDerWaalsContact C-N 3.32Å; V22-V25 PolarHBondContact O-N 3.08Å; V22-L42 HydrophobicContact CG1-CD2 3.74Å; V22-Y47 HydrophobicContact CG1-CD1 4.28Å; V22-Y47 HydrophobicContact CG1-CE1 3.59Å; V22-Y47 PolarHBondContact O-OH 3.19Å; V22-L48 HydrophobicContact CG1-CD2 4.01Å; V22-I51 HydrophobicContact CG1-CD1 4.04Å; V22-L125 HydrophobicContact CG2-CB 4.48Å; V22-L125 HydrophobicContact CG2-CD1 4.22Å; V22-L125 HydrophobicContact CG2-CD2 3.88Å; V22-L125 HydrophobicContact CG2-CG 4.39Å |
| 23 | K | 88.4 | Confident | 79.3 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 33% | 0.326 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.3 | -29.2 | 174.1 | -74 | 179 | 173.2 | -171.4 | 0 | 113.4 | V19 C20 W21 V25 E38 | V19-K23 HydrophobicContact CG1-CD 4.17Å; V19-K23 HydrophobicContact CG1-CG 4.46Å; V19-K23 WeakPolarHBondContact O-CB 3.48Å; V19-K23 WeakPolarHBondContact O-CG 3.36Å; V19-K23 PolarHBondContact O-N 3.47Å; C20-K23 PolarHBondContact O-N 2.98Å; W21-K23 PolarHBondContact O-N 3.5Å; K23-V25 VanDerWaalsContact C-N 3.34Å; K23-E38 IonicContact NZ-OE1 3.02Å; K23-E38 IonicContact NZ-OE2 3.52Å; K23-E38 PolarHBondContact NZ-OE2 2.97Å |
| 24 | S | 87.1 | Confident | 78.7 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -77.5 | -20.2 | 177.9 | 76.1 | 0 | 0 | 0 | 0 | 113.7 | C20 W21 V22 | C20-S24 PolarHBondContact O-N 3.46Å; W21-S24 WeakPolarHBondContact O-CA 3.48Å; W21-S24 WeakPolarHBondContact O-CB 3.36Å; W21-S24 PolarHBondContact O-N 3.21Å; W21-S24 PolarHBondContact O-OG 2.71Å; V22-S24 VanDerWaalsContact C-N 3.32Å |
| 25 | V | 83.9 | Confident | 78.3 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -89.2 | -46.6 | -172.7 | 169.5 | 0 | 0 | 0 | 0 | 112.8 | W21 V22 K23 I51 Y141 | W21-V25 HydrophobicContact CD2-CG2 4.44Å; W21-V25 HydrophobicContact CZ2-CG2 3.99Å; W21-V25 WeakPolarHBondContact O-CG2 3.48Å; W21-V25 PolarHBondContact O-N 3.28Å; V22-V25 PolarHBondContact O-N 3.08Å; K23-V25 VanDerWaalsContact C-N 3.34Å; V25-I51 HydrophobicContact CG1-CD1 4.49Å; V25-I51 HydrophobicContact CG1-CG1 4.43Å; V25-I51 HydrophobicContact CG1-CG2 4.12Å; V25-Y141 HydrophobicContact CG1-CD1 3.88Å; V25-Y141 HydrophobicContact CG1-CE1 3.48Å; V25-Y141 VanDerWaalsContact CG1-CE1 3.48Å; V25-Y141 HydrophobicContact CG2-CD1 3.96Å; V25-Y141 HydrophobicContact CG2-CE1 4.42Å |
| 26 | G | 68.4 | Low | 78 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -100.1 | 168.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S28 Y47 | G26-S28 PolarHBondContact O-N 2.98Å; G26-S28 VanDerWaalsContact O-N 3.14Å; G26-Y47 WeakPolarHBondContact CA-OH 3.32Å; G26-Y47 PolarHBondContact N-OH 3.45Å |
| 27 | H | 65.8 | Low | 77.5 | Confident | 167 Ų | 167 | 57.2 Ų | 57.2 | 77% | 0.773 | 33% | 0.328 | S | S | * | . | trans | -83.7 | 84.6 | 175.6 | -61.4 | 82.4 | 0 | 0 | 0 | 108.6 | T29 | H27-T29 PolarHBondContact O-N 3.23Å; H27-T29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | S | 55 | Low | 77.1 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | trans | -54.3 | 119.2 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | G26 V30 | G26-S28 PolarHBondContact O-N 2.98Å; G26-S28 VanDerWaalsContact O-N 3.14Å; S28-V30 PolarHBondContact O-N 3.48Å; S28-V30 PolarHBondContact OG-O 2.9Å | ||
| 29 | T | 54.8 | Low | 76.9 | Confident | 125 Ų | 125 | 57.4 Ų | 57.4 | 77% | 0.767 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -76.4 | -7.5 | -179.1 | 41.8 | 0 | 0 | 0 | 0 | 113.1 | H27 | H27-T29 PolarHBondContact O-N 3.23Å; H27-T29 VanDerWaalsContact O-N 3.09Å |
| 30 | V | 53.8 | Low | 76.7 | Confident | 39 Ų | 39 | 59 Ų | 59 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | trans | -127.1 | 97.3 | -175.7 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | S28 G33 E41 | S28-V30 PolarHBondContact O-N 3.48Å; S28-V30 PolarHBondContact OG-O 2.9Å; V30-G33 VanDerWaalsContact CG1-CA 3.49Å; V30-E41 WeakPolarHBondContact CG2-OE1 3.48Å | ||
| 31 | T | 54 | Low | 76.5 | Confident | 130 Ų | 130 | 60 Ų | 60 | 80% | 0.798 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -89.6 | -2.3 | 175.3 | 38.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 32 | D | 56.3 | Low | 76.4 | Confident | 167 Ų | 167 | 60.4 Ų | 60.4 | 89% | 0.893 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -140.3 | 22.4 | -170.7 | -114 | -5.6 | 0 | 0 | 0 | 113.9 | ||
| 33 | G | 62 | Low | 76.5 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 25% | 0.247 | 34% | 0.338 | C | S | . | . | trans | -93.3 | 159.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | V30 | V30-G33 VanDerWaalsContact CG1-CA 3.49Š| ||
| 34 | S | 80.7 | Confident | 76.6 | Confident | 65 Ų | 65 | 58 Ų | 58 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | trans | -61.4 | 146.1 | 168.1 | 68.5 | 0 | 0 | 0 | 0 | 110.9 | L36 L37 E38 | S34-L36 PolarHBondContact O-N 2.9Å; S34-L37 WeakPolarHBondContact O-CB 3.35Å; S34-L37 PolarHBondContact O-N 3.42Å; S34-L37 PolarHBondContact OG-N 3.45Å; S34-E38 PolarHBondContact O-N 3.33Å | ||
| 35 | K | 83.9 | Confident | 76.8 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 30% | 0.296 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -50.8 | -27.6 | 175.5 | -71 | 174.6 | 175.6 | -178.3 | 0 | 113.7 | E11 M14 Y39 | E11-K35 HydrophobicContact CB-CD 4.04Å; E11-K35 HydrophobicContact CG-CD 3.57Å; E11-K35 IonicContact OE2-NZ 3.06Å; E11-K35 PolarHBondContact OE2-NZ 2.75Å; M14-K35 HydrophobicContact CG-CB 4.31Å; K35-Y39 WeakPolarHBondContact O-CB 3.47Å; K35-Y39 PolarHBondContact O-N 3.26Å; K35-Y39 VanDerWaalsContact O-N 3.08Å |
| 36 | L | 85.6 | Confident | 77.2 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 174 | 179.3 | 63.1 | 0 | 0 | 0 | 113.2 | L10 S34 Y39 I40 L113 | L10-L36 HydrophobicContact CD2-CB 4.26Å; L10-L36 HydrophobicContact CD2-CD1 3.76Å; S34-L36 PolarHBondContact O-N 2.9Å; L36-Y39 PolarHBondContact O-N 2.87Å; L36-I40 HydrophobicContact CD1-CD1 4.26Å; L36-I40 HydrophobicContact CG-CD1 4.08Å; L36-I40 WeakPolarHBondContact O-CD1 3.47Å; L36-I40 VanDerWaalsContact O-CG1 3.25Å; L36-I40 WeakPolarHBondContact O-CG1 3.41Å; L36-I40 PolarHBondContact O-N 3.47Å; L36-L113 HydrophobicContact CD1-CD1 3.97Å; L36-L113 HydrophobicContact CD1-CD2 3.63Å; L36-L113 HydrophobicContact CD1-CG 4.47Å |
| 37 | L | 85.4 | Confident | 78.3 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 177.6 | -74.8 | 166 | 0 | 0 | 0 | 110.8 | S34 Y39 I40 E41 | S34-L37 WeakPolarHBondContact O-CB 3.35Å; S34-L37 PolarHBondContact O-N 3.42Å; S34-L37 PolarHBondContact OG-N 3.45Å; L37-Y39 VanDerWaalsContact C-N 3.28Å; L37-Y39 PolarHBondContact O-N 3.37Å; L37-I40 PolarHBondContact O-N 3.28Å; L37-I40 VanDerWaalsContact O-N 3.14Å; L37-E41 PolarHBondContact O-N 2.81Å |
| 38 | E | 87.1 | Confident | 79.6 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 175.3 | -63.3 | -178.2 | 161.3 | 0 | 0 | 111.8 | M14 K23 S34 E41 L42 | M14-E38 HydrophobicContact CE-CB 3.51Å; M14-E38 WeakPolarHBondContact CE-OE2 3.48Å; K23-E38 IonicContact NZ-OE1 3.02Å; K23-E38 IonicContact NZ-OE2 3.52Å; K23-E38 PolarHBondContact NZ-OE2 2.97Å; S34-E38 PolarHBondContact O-N 3.33Å; E38-E41 PolarHBondContact O-N 3.27Å; E38-L42 PolarHBondContact O-N 2.88Å |
| 39 | Y | 90.9 | Very high | 81.4 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 175.2 | -176.8 | -112.3 | 0 | 0 | 0 | 112.1 | L10 F13 M14 K35 L36 L37 E41 L42 V43 P112 L113 L118 M121 | L10-Y39 HydrophobicContact CD1-CD1 3.63Å; L10-Y39 HydrophobicContact CD1-CD2 3.92Å; L10-Y39 HydrophobicContact CD1-CE1 4.19Å; L10-Y39 HydrophobicContact CD1-CE2 4.47Å; L10-Y39 HydrophobicContact CD1-CG 3.49Å; L10-Y39 VanDerWaalsContact CD1-CG 3.49Å; F13-Y39 AromaticContact CD1-CD2 3.99Å; F13-Y39 HydrophobicContact CD1-CD2 3.99Å; F13-Y39 AromaticContact CD1-CE2 3.9Å; F13-Y39 HydrophobicContact CD1-CE2 3.9Å; F13-Y39 AromaticContact CE1-CD2 3.8Å; F13-Y39 HydrophobicContact CE1-CD2 3.8Å; F13-Y39 AromaticContact CE1-CE2 3.53Å; F13-Y39 HydrophobicContact CE1-CE2 3.53Å; F13-Y39 HydrophobicContact CZ-CE2 4.37Å; M14-Y39 HydrophobicContact SD-CD2 3.94Å; M14-Y39 HydrophobicContact SD-CG 4.33Å; K35-Y39 WeakPolarHBondContact O-CB 3.47Å; K35-Y39 PolarHBondContact O-N 3.26Å; K35-Y39 VanDerWaalsContact O-N 3.08Å; L36-Y39 PolarHBondContact O-N 2.87Å; L37-Y39 VanDerWaalsContact C-N 3.28Å; L37-Y39 PolarHBondContact O-N 3.37Å; Y39-E41 VanDerWaalsContact C-N 3.27Å; Y39-E41 PolarHBondContact O-N 3.12Å; Y39-L42 WeakPolarHBondContact O-CB 3.26Å; Y39-L42 PolarHBondContact O-N 3.39Å; Y39-L42 VanDerWaalsContact O-N 3.1Å; Y39-V43 HydrophobicContact CD1-CG2 3.86Å; Y39-V43 HydrophobicContact CD2-CG2 4.21Å; Y39-V43 HydrophobicContact CE1-CG2 3.42Å; Y39-V43 VanDerWaalsContact CE1-CG2 3.42Å; Y39-V43 HydrophobicContact CE2-CG2 3.79Å; Y39-V43 HydrophobicContact CG-CG2 4.23Å; Y39-V43 VanDerWaalsContact O-CG2 3.29Å; Y39-V43 WeakPolarHBondContact O-CG2 3.5Å; Y39-V43 PolarHBondContact O-N 3.19Å; Y39-P112 HydrophobicContact CE1-CB 4.27Å; Y39-P112 PolarHBondContact OH-O 2.82Å; Y39-P112 VanDerWaalsContact OH-O 3.05Å; Y39-L113 HydrophobicContact CD1-CD2 3.73Å; Y39-L113 HydrophobicContact CE1-CD2 3.84Å; Y39-L118 HydrophobicContact CD2-CD2 4.47Å; Y39-L118 HydrophobicContact CE1-CD2 4.13Å; Y39-L118 HydrophobicContact CE2-CD2 3.73Å; Y39-M121 HydrophobicContact CE2-CB 4.3Å; Y39-M121 HydrophobicContact CE2-CG 4.04Å |
| 40 | I | 89.4 | Confident | 83.2 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 18% | 0.179 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 177.3 | -69.7 | 164.4 | 0 | 0 | 0 | 111.2 | L36 L37 L42 V43 D44 | L36-I40 HydrophobicContact CD1-CD1 4.26Å; L36-I40 HydrophobicContact CG-CD1 4.08Å; L36-I40 WeakPolarHBondContact O-CD1 3.47Å; L36-I40 VanDerWaalsContact O-CG1 3.25Å; L36-I40 WeakPolarHBondContact O-CG1 3.41Å; L36-I40 PolarHBondContact O-N 3.47Å; L37-I40 PolarHBondContact O-N 3.28Å; L37-I40 VanDerWaalsContact O-N 3.14Å; I40-L42 VanDerWaalsContact C-N 3.29Å; I40-L42 PolarHBondContact O-N 3.45Å; I40-V43 PolarHBondContact O-N 3.17Å; I40-D44 WeakPolarHBondContact O-CB 3.38Å; I40-D44 PolarHBondContact O-N 3.33Å |
| 41 | E | 88.3 | Confident | 85 | Confident | 58 Ų | 58 | 46 Ų | 46 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 174.8 | -72.2 | -175.5 | 158.4 | 0 | 0 | 113 | V30 L37 E38 Y39 | V30-E41 WeakPolarHBondContact CG2-OE1 3.48Å; L37-E41 PolarHBondContact O-N 2.81Å; E38-E41 PolarHBondContact O-N 3.27Å; Y39-E41 VanDerWaalsContact C-N 3.27Å; Y39-E41 PolarHBondContact O-N 3.12Å |
| 42 | L | 91.6 | Very high | 86.9 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -47.5 | 172.8 | -61.1 | 175.9 | 0 | 0 | 0 | 111.1 | M14 V19 V22 E38 Y39 I40 G45 Y47 L48 M121 | M14-L42 HydrophobicContact SD-CD1 4.46Å; V19-L42 HydrophobicContact CG1-CD1 4.48Å; V22-L42 HydrophobicContact CG1-CD2 3.74Å; E38-L42 PolarHBondContact O-N 2.88Å; Y39-L42 WeakPolarHBondContact O-CB 3.26Å; Y39-L42 PolarHBondContact O-N 3.39Å; Y39-L42 VanDerWaalsContact O-N 3.1Å; I40-L42 VanDerWaalsContact C-N 3.29Å; I40-L42 PolarHBondContact O-N 3.45Å; L42-G45 PolarHBondContact O-N 3.19Å; L42-Y47 HydrophobicContact CD2-CD1 3.92Å; L42-Y47 HydrophobicContact CD2-CE1 4.23Å; L42-L48 HydrophobicContact CD2-CD2 4.02Å; L42-L48 WeakPolarHBondContact O-CD1 3.35Å; L42-M121 HydrophobicContact CB-CE 4.19Å; L42-M121 HydrophobicContact CB-SD 4.45Å |
| 43 | V | 93.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.1 | -31.3 | -172 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | Y39 I40 G45 R75 L108 P112 M121 | Y39-V43 HydrophobicContact CD1-CG2 3.86Å; Y39-V43 HydrophobicContact CD2-CG2 4.21Å; Y39-V43 HydrophobicContact CE1-CG2 3.42Å; Y39-V43 VanDerWaalsContact CE1-CG2 3.42Å; Y39-V43 HydrophobicContact CE2-CG2 3.79Å; Y39-V43 HydrophobicContact CG-CG2 4.23Å; Y39-V43 VanDerWaalsContact O-CG2 3.29Å; Y39-V43 WeakPolarHBondContact O-CG2 3.5Å; Y39-V43 PolarHBondContact O-N 3.19Å; I40-V43 PolarHBondContact O-N 3.17Å; V43-G45 PolarHBondContact O-N 3.49Å; V43-R75 VanDerWaalsContact CG1-CD 3.44Å; V43-R75 HydrophobicContact CG1-CG 4.32Å; V43-R75 WeakPolarHBondContact O-CG 3.37Å; V43-L108 WeakPolarHBondContact CG1-O 3.43Å; V43-P112 HydrophobicContact CB-CB 4.4Å; V43-P112 HydrophobicContact CG1-CB 3.5Å; V43-P112 HydrophobicContact CG1-CG 4.33Å; V43-P112 HydrophobicContact CG2-CB 4.19Å; V43-M121 HydrophobicContact CB-CE 4.07Å; V43-M121 HydrophobicContact CG2-CE 3.57Å |
| 44 | D | 91.8 | Very high | 90 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.8 | 175.1 | -77.6 | -3.3 | 0 | 0 | 0 | 113.1 | I40 I46 V68 R75 N78 | I40-D44 WeakPolarHBondContact O-CB 3.38Å; I40-D44 PolarHBondContact O-N 3.33Å; D44-I46 PolarHBondContact O-N 3.49Å; D44-I46 VanDerWaalsContact O-N 3.08Å; D44-V68 HydrophobicContact CB-CB 4.22Å; D44-V68 HydrophobicContact CB-CG1 4.26Å; D44-V68 HydrophobicContact CB-CG2 4.24Å; D44-R75 IonicContact OD1-CZ 3.18Å; D44-R75 IonicContact OD1-NE 3.76Å; D44-R75 PolarHBondContact OD1-NE 3.27Å; D44-R75 VanDerWaalsContact OD1-NE 3.13Å; D44-R75 IonicContact OD1-NH2 2.76Å; D44-R75 PolarHBondContact OD1-NH2 3.25Å; D44-N78 WeakPolarHBondContact O-CB 3.26Å; D44-N78 PolarHBondContact O-ND2 3.1Å |
| 45 | G | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 75.8 | -7.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L42 V43 N49 | L42-G45 PolarHBondContact O-N 3.19Å; V43-G45 PolarHBondContact O-N 3.49Å; G45-N49 WeakPolarHBondContact O-CB 3.39Å; G45-N49 PolarHBondContact O-N 3.38Å; G45-N49 VanDerWaalsContact O-N 3.09Å; G45-N49 PolarHBondContact O-ND2 3.03Å |
| 46 | I | 91.4 | Very high | 91 | Very high | 36 Ų | 36 | 34.5 Ų | 34.5 | 19% | 0.185 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -55.9 | -179.7 | -59.7 | 170.7 | 0 | 0 | 0 | 109.9 | D44 L48 N49 E50 N65 V68 | D44-I46 PolarHBondContact O-N 3.49Å; D44-I46 VanDerWaalsContact O-N 3.08Å; I46-L48 PolarHBondContact O-N 2.85Å; I46-N49 PolarHBondContact O-N 3.26Å; I46-E50 PolarHBondContact O-N 3.31Å; I46-N65 WeakPolarHBondContact CD1-O 3.35Å; I46-N65 WeakPolarHBondContact CG1-O 3.49Å; I46-V68 HydrophobicContact CD1-CG2 4.1Å; I46-V68 HydrophobicContact CG1-CG2 4.36Å |
| 47 | Y | 90.6 | Very high | 91 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | -176.2 | 179.4 | -112.3 | 0 | 0 | 0 | 112.6 | V22 G26 L42 N49 E50 I51 | V22-Y47 HydrophobicContact CG1-CD1 4.28Å; V22-Y47 HydrophobicContact CG1-CE1 3.59Å; V22-Y47 PolarHBondContact O-OH 3.19Å; G26-Y47 WeakPolarHBondContact CA-OH 3.32Å; G26-Y47 PolarHBondContact N-OH 3.45Å; L42-Y47 HydrophobicContact CD2-CD1 3.92Å; L42-Y47 HydrophobicContact CD2-CE1 4.23Å; Y47-N49 PolarHBondContact O-N 2.91Å; Y47-E50 WeakPolarHBondContact O-CB 3.38Å; Y47-E50 PolarHBondContact O-N 3.47Å; Y47-I51 HydrophobicContact CD1-CD1 4.06Å; Y47-I51 HydrophobicContact CE1-CD1 3.6Å; Y47-I51 HydrophobicContact CE2-CD1 4.45Å; Y47-I51 PolarHBondContact O-N 3.47Å; Y47-I51 VanDerWaalsContact O-N 3.09Å |
| 48 | L | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.6 | -34.8 | 178.6 | -62.5 | -177.6 | 0 | 0 | 0 | 112.9 | V22 L42 I46 E50 I51 M52 L82 M121 M124 L125 L128 | V22-L48 HydrophobicContact CG1-CD2 4.01Å; L42-L48 HydrophobicContact CD2-CD2 4.02Å; L42-L48 WeakPolarHBondContact O-CD1 3.35Å; I46-L48 PolarHBondContact O-N 2.85Å; L48-E50 VanDerWaalsContact C-N 3.33Å; L48-I51 PolarHBondContact O-N 2.86Å; L48-M52 PolarHBondContact O-N 3.31Å; L48-L82 HydrophobicContact CB-CD1 4.48Å; L48-L82 HydrophobicContact CB-CD2 3.4Å; L48-L82 VanDerWaalsContact CB-CD2 3.4Å; L48-L82 HydrophobicContact CD1-CD2 3.96Å; L48-L82 HydrophobicContact CG-CD2 4.35Å; L48-M121 HydrophobicContact CD1-CE 4.38Å; L48-M121 HydrophobicContact CD1-SD 3.98Å; L48-M124 HydrophobicContact CD1-CG 3.95Å; L48-L125 HydrophobicContact CD1-CD2 3.88Å; L48-L125 HydrophobicContact CD2-CD2 3.7Å; L48-L125 HydrophobicContact CG-CD2 4.47Å; L48-L128 HydrophobicContact CB-CD2 4.38Å; L48-L128 HydrophobicContact CD2-CD2 3.88Å |
| 49 | N | 93.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.4 | -33.7 | 172.3 | -85.2 | -78.3 | 0 | 0 | 0 | 112.1 | G45 I46 Y47 M52 F53 T64 N78 L82 | G45-N49 WeakPolarHBondContact O-CB 3.39Å; G45-N49 PolarHBondContact O-N 3.38Å; G45-N49 VanDerWaalsContact O-N 3.09Å; G45-N49 PolarHBondContact O-ND2 3.03Å; I46-N49 PolarHBondContact O-N 3.26Å; Y47-N49 PolarHBondContact O-N 2.91Å; N49-M52 PolarHBondContact O-N 2.83Å; N49-F53 WeakPolarHBondContact O-CB 3.4Å; N49-F53 PolarHBondContact O-N 3.37Å; N49-T64 HydrophobicContact CB-CG2 3.75Å; N49-N78 PolarHBondContact ND2-O 3.41Å; N49-L82 WeakPolarHBondContact OD1-CA 3.41Å; N49-L82 PolarHBondContact OD1-N 3.46Å |
| 50 | E | 91.5 | Very high | 89.6 | Confident | 101 Ų | 101 | 42.9 Ų | 42.9 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 173.9 | -71.3 | 177.3 | 171.2 | 0 | 0 | 111 | I46 Y47 L48 M52 F53 E54 | I46-E50 PolarHBondContact O-N 3.31Å; Y47-E50 WeakPolarHBondContact O-CB 3.38Å; Y47-E50 PolarHBondContact O-N 3.47Å; L48-E50 VanDerWaalsContact C-N 3.33Å; E50-M52 PolarHBondContact O-N 3.34Å; E50-F53 WeakPolarHBondContact O-CB 3.17Å; E50-F53 PolarHBondContact O-N 2.94Å; E50-E54 PolarHBondContact O-N 2.85Å |
| 51 | I | 92.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | 173.2 | -65.7 | 172 | 0 | 0 | 0 | 110.8 | V22 V25 Y47 L48 F53 E54 I55 L128 | V22-I51 HydrophobicContact CG1-CD1 4.04Å; V25-I51 HydrophobicContact CG1-CD1 4.49Å; V25-I51 HydrophobicContact CG1-CG1 4.43Å; V25-I51 HydrophobicContact CG1-CG2 4.12Å; Y47-I51 HydrophobicContact CD1-CD1 4.06Å; Y47-I51 HydrophobicContact CE1-CD1 3.6Å; Y47-I51 HydrophobicContact CE2-CD1 4.45Å; Y47-I51 PolarHBondContact O-N 3.47Å; Y47-I51 VanDerWaalsContact O-N 3.09Å; L48-I51 PolarHBondContact O-N 2.86Å; I51-F53 VanDerWaalsContact C-N 3.26Å; I51-F53 PolarHBondContact O-N 3.28Å; I51-E54 WeakPolarHBondContact O-CB 3.36Å; I51-E54 PolarHBondContact O-N 2.8Å; I51-E54 VanDerWaalsContact O-N 3.11Å; I51-I55 HydrophobicContact CG2-CD1 3.79Å; I51-I55 HydrophobicContact CG2-CG1 4.38Å; I51-I55 VanDerWaalsContact O-CG1 3.32Å; I51-I55 WeakPolarHBondContact O-CG1 3.5Å; I51-I55 PolarHBondContact O-N 2.95Å; I51-L128 HydrophobicContact CB-CD2 4.41Å; I51-L128 HydrophobicContact CG2-CD1 4.49Å; I51-L128 HydrophobicContact CG2-CD2 4.07Å; I51-L128 HydrophobicContact CG2-CG 4.39Å |
| 52 | M | 94.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -35.2 | 178.7 | -171.1 | 61.3 | -153.2 | 0 | 0 | 112.3 | L48 N49 E50 I55 N56 L82 Q85 I86 Y89 L128 C131 | L48-M52 PolarHBondContact O-N 3.31Å; N49-M52 PolarHBondContact O-N 2.83Å; E50-M52 PolarHBondContact O-N 3.34Å; M52-I55 PolarHBondContact O-N 3.38Å; M52-N56 HydrophobicContact CE-CB 4.11Å; M52-N56 PolarHBondContact O-N 3.46Å; M52-L82 HydrophobicContact CB-CD1 3.64Å; M52-L82 HydrophobicContact CG-CD1 4.05Å; M52-Q85 HydrophobicContact CG-CB 3.94Å; M52-I86 HydrophobicContact CG-CG1 4.46Å; M52-I86 HydrophobicContact SD-CG1 3.82Å; M52-Y89 HydrophobicContact CE-CD1 4.44Å; M52-Y89 HydrophobicContact CE-CD2 4.41Å; M52-Y89 HydrophobicContact CE-CG 3.92Å; M52-L128 HydrophobicContact CB-CD1 4Å; M52-L128 HydrophobicContact CG-CD1 4.39Å; M52-L128 HydrophobicContact SD-CD1 3.66Å; M52-C131 HydrophobicContact SD-CB 4.38Å |
| 53 | F | 91.7 | Very high | 87.8 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 174.2 | -179.8 | -103 | 0 | 0 | 0 | 112.5 | N49 E50 I51 N56 P57 V61 | N49-F53 WeakPolarHBondContact O-CB 3.4Å; N49-F53 PolarHBondContact O-N 3.37Å; E50-F53 WeakPolarHBondContact O-CB 3.17Å; E50-F53 PolarHBondContact O-N 2.94Å; I51-F53 VanDerWaalsContact C-N 3.26Å; I51-F53 PolarHBondContact O-N 3.28Å; F53-N56 CarbonylContact O-C 3.56Å; F53-N56 VanDerWaalsContact O-C 3.28Å; F53-P57 WeakPolarHBondContact O-CA 3.46Å; F53-V61 HydrophobicContact CD2-CG2 3.92Å; F53-V61 HydrophobicContact CE2-CG2 3.43Å; F53-V61 VanDerWaalsContact CE2-CG2 3.43Å; F53-V61 HydrophobicContact CZ-CG2 4.42Å |
| 54 | E | 91.1 | Very high | 87.6 | Confident | 84 Ų | 84 | 58.8 Ų | 58.8 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 172.7 | -70.1 | -175.5 | -177.6 | 0 | 0 | 112.5 | E50 I51 | E50-E54 PolarHBondContact O-N 2.85Å; I51-E54 WeakPolarHBondContact O-CB 3.36Å; I51-E54 PolarHBondContact O-N 2.8Å; I51-E54 VanDerWaalsContact O-N 3.11Å |
| 55 | I | 93.4 | Very high | 87.5 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 176.2 | -67.2 | 167.3 | 0 | 0 | 0 | 111.1 | I51 M52 Y89 L128 C131 A132 C135 Y141 | I51-I55 HydrophobicContact CG2-CD1 3.79Å; I51-I55 HydrophobicContact CG2-CG1 4.38Å; I51-I55 VanDerWaalsContact O-CG1 3.32Å; I51-I55 WeakPolarHBondContact O-CG1 3.5Å; I51-I55 PolarHBondContact O-N 2.95Å; M52-I55 PolarHBondContact O-N 3.38Å; I55-Y89 HydrophobicContact CG2-CE1 4.47Å; I55-L128 HydrophobicContact CD1-CD1 3.82Å; I55-L128 HydrophobicContact CD1-CG 4.32Å; I55-C131 HydrophobicContact CG2-CB 4.03Å; I55-A132 HydrophobicContact CD1-CB 3.66Å; I55-A132 HydrophobicContact CG1-CB 4.15Å; I55-C135 HydrophobicContact CG2-CB 3.72Å; I55-Y141 HydrophobicContact CG1-CE1 4.33Å; I55-Y141 HydrophobicContact CG1-CE2 4.19Å; I55-Y141 WeakPolarHBondContact CG1-OH 3.43Å |
| 56 | N | 91.4 | Very high | 87.3 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | trans | -127.9 | 80.8 | 179.7 | -173.2 | 10.4 | 0 | 0 | 0 | 112.8 | M52 F53 K58 A59 Y89 | M52-N56 HydrophobicContact CE-CB 4.11Å; M52-N56 PolarHBondContact O-N 3.46Å; F53-N56 CarbonylContact O-C 3.56Å; F53-N56 VanDerWaalsContact O-C 3.28Å; N56-K58 PolarHBondContact O-N 3.39Å; N56-K58 VanDerWaalsContact O-N 3.13Å; N56-K58 PolarHBondContact OD1-N 2.87Å; N56-A59 PolarHBondContact O-N 3Å; N56-Y89 HydrophobicContact CB-CD2 3.84Å; N56-Y89 HydrophobicContact CB-CE2 3.94Å; N56-Y89 VanDerWaalsContact ND2-CD2 3.34Å; N56-Y89 WeakPolarHBondContact ND2-CD2 3.24Å | ||
| 57 | P | 86.4 | Confident | 87.1 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.5 | 179.4 | -20.9 | 32.6 | 0 | 0 | 0 | 114 | F53 | F53-P57 WeakPolarHBondContact O-CA 3.46Š|
| 58 | K | 80.3 | Confident | 86.9 | Confident | 153 Ų | 153 | 73.1 Ų | 73.1 | 67% | 0.665 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.5 | -176.7 | -62.5 | 174.3 | -174.2 | 164.5 | 0 | 112.7 | N56 E136 | N56-K58 PolarHBondContact O-N 3.39Å; N56-K58 VanDerWaalsContact O-N 3.13Å; N56-K58 PolarHBondContact OD1-N 2.87Å; K58-E136 IonicContact NZ-OE1 2.6Å; K58-E136 PolarHBondContact NZ-OE1 2.89Å; K58-E136 IonicContact NZ-OE2 3.93Å; K58-E136 PolarHBondContact NZ-OE2 2.89Å |
| 59 | A | 79.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 79.9 Ų | 79.9 | 22% | 0.223 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -66.6 | 148.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N56 V61 | N56-A59 PolarHBondContact O-N 3Å; A59-V61 PolarHBondContact O-N 3.25Å; A59-V61 VanDerWaalsContact O-N 3.09Å |
| 60 | T | 75.1 | Confident | 85.8 | Confident | 126 Ų | 126 | 83.8 Ų | 83.8 | 77% | 0.773 | 41% | 0.411 | S | S | * | . | trans | -62.1 | 112.3 | 171 | -55.4 | 0 | 0 | 0 | 0 | 109.8 | Q62 | T60-Q62 PolarHBondContact O-N 3.08Å; T60-Q62 VanDerWaalsContact O-N 3.09Å | ||
| 61 | V | 69.1 | Low | 85.8 | Confident | 96 Ų | 96 | 82 Ų | 82 | 58% | 0.582 | 41% | 0.405 | S | S | * | . | trans | -72.2 | 104.8 | -176.9 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | F53 A59 | F53-V61 HydrophobicContact CD2-CG2 3.92Å; F53-V61 HydrophobicContact CE2-CG2 3.43Å; F53-V61 VanDerWaalsContact CE2-CG2 3.43Å; F53-V61 HydrophobicContact CZ-CG2 4.42Å; A59-V61 PolarHBondContact O-N 3.25Å; A59-V61 VanDerWaalsContact O-N 3.09Å | ||
| 62 | Q | 78.8 | Confident | 85.6 | Confident | 80 Ų | 80 | 84.4 Ų | 84.4 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | trans | -81.9 | 132.8 | 164 | -69.9 | -173.8 | -10.7 | 0 | 0 | 109 | T60 T64 I81 | T60-Q62 PolarHBondContact O-N 3.08Å; T60-Q62 VanDerWaalsContact O-N 3.09Å; Q62-T64 PolarHBondContact O-N 3.44Å; Q62-I81 HydrophobicContact CB-CD1 4.23Å; Q62-I81 HydrophobicContact CB-CG1 4.2Å; Q62-I81 HydrophobicContact CB-CG2 3.81Å | ||
| 63 | R | 83.3 | Confident | 85.4 | Confident | 231 Ų | 231 | 85.8 Ų | 85.8 | 87% | 0.872 | 43% | 0.43 | S | S | * | . | trans | -74.8 | 115.7 | -173.3 | -163.7 | 179.4 | -156.7 | 177.5 | 6.1 | 110.2 | ||||
| 64 | T | 88.5 | Confident | 85.4 | Confident | 29 Ų | 29 | 83.1 Ų | 83.1 | 18% | 0.178 | 42% | 0.42 | C | S | . | . | trans | -75 | 149.4 | 174.3 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | N49 Q62 K66 I81 | N49-T64 HydrophobicContact CB-CG2 3.75Å; Q62-T64 PolarHBondContact O-N 3.44Å; T64-K66 PolarHBondContact O-N 3.02Å; T64-I81 HydrophobicContact CG2-CD1 4.43Å | ||
| 65 | N | 89.9 | Confident | 85.5 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | trans | -76.8 | 111 | 173.8 | -69.9 | -65.3 | 0 | 0 | 0 | 109.7 | I46 K67 V68 L74 Q77 N78 | I46-N65 WeakPolarHBondContact CD1-O 3.35Å; I46-N65 WeakPolarHBondContact CG1-O 3.49Å; N65-K67 VanDerWaalsContact C-N 3.31Å; N65-K67 PolarHBondContact O-N 3.42Å; N65-V68 WeakPolarHBondContact O-CG2 3.35Å; N65-L74 HydrophobicContact CB-CB 4.45Å; N65-L74 HydrophobicContact CB-CD2 4.47Å; N65-Q77 PolarHBondContact ND2-OE1 2.87Å; N65-Q77 VanDerWaalsContact ND2-OE1 3.12Å; N65-N78 PolarHBondContact N-OD1 2.92Å; N65-N78 PolarHBondContact O-ND2 3.14Å; N65-N78 VanDerWaalsContact O-ND2 3.1Å | ||
| 66 | K | 87.4 | Confident | 85.6 | Confident | 167 Ų | 167 | 79.6 Ų | 79.6 | 73% | 0.726 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -75.8 | -14.1 | -177.3 | -61.9 | -165.7 | 174.6 | -159.6 | 0 | 115 | T64 | T64-K66 PolarHBondContact O-N 3.02Š|
| 67 | K | 86.4 | Confident | 85.6 | Confident | 167 Ų | 167 | 81.9 Ų | 81.9 | 73% | 0.726 | 41% | 0.413 | S | S | * | . | trans | -127.8 | 76 | -177.6 | -67 | -172.3 | 179 | -174.8 | 0 | 109.7 | N65 | N65-K67 VanDerWaalsContact C-N 3.31Å; N65-K67 PolarHBondContact O-N 3.42Å | ||
| 68 | V | 86.1 | Confident | 86 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.024 | 39% | 0.389 | C | S | . | . | trans | -74.1 | -36.6 | -177.7 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | D44 I46 N65 N70 D71 L74 R75 N78 | D44-V68 HydrophobicContact CB-CB 4.22Å; D44-V68 HydrophobicContact CB-CG1 4.26Å; D44-V68 HydrophobicContact CB-CG2 4.24Å; I46-V68 HydrophobicContact CD1-CG2 4.1Å; I46-V68 HydrophobicContact CG1-CG2 4.36Å; N65-V68 WeakPolarHBondContact O-CG2 3.35Å; V68-N70 PolarHBondContact O-N 3.38Å; V68-D71 WeakPolarHBondContact O-CB 3.35Å; V68-D71 PolarHBondContact O-N 3.43Å; V68-L74 HydrophobicContact CG1-CB 4.19Å; V68-L74 HydrophobicContact CG2-CB 4.4Å; V68-R75 HydrophobicContact CG1-CB 4.08Å; V68-N78 VanDerWaalsContact CG2-ND2 3.28Å; V68-N78 WeakPolarHBondContact CG2-ND2 3.46Å | ||
| 69 | N | 83.6 | Confident | 86.7 | Confident | 143 Ų | 143 | 71 Ų | 71 | 77% | 0.765 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.5 | 178 | -61.4 | -27.7 | 0 | 0 | 0 | 113.8 | D71 | N69-D71 PolarHBondContact O-N 2.88Š|
| 70 | N | 82.6 | Confident | 87.5 | Confident | 89 Ų | 89 | 71 Ų | 71 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 18.8 | -173.3 | -88.4 | -25.7 | 0 | 0 | 0 | 115.2 | V68 P72 R75 | V68-N70 PolarHBondContact O-N 3.38Å; N70-P72 WeakPolarHBondContact O-CD 3.48Å; N70-R75 PolarHBondContact OD1-NH2 3.49Å |
| 71 | D | 89.6 | Confident | 88.4 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 34% | 0.337 | 32% | 0.323 | S | S | . | . | trans | -71.2 | 116.8 | 172.5 | -172.9 | -32.6 | 0 | 0 | 0 | 109.9 | V68 N69 T73 L74 R75 | V68-D71 WeakPolarHBondContact O-CB 3.35Å; V68-D71 PolarHBondContact O-N 3.43Å; N69-D71 PolarHBondContact O-N 2.88Å; D71-T73 PolarHBondContact O-N 2.91Å; D71-T73 WeakPolarHBondContact OD1-CA 3.38Å; D71-T73 VanDerWaalsContact OD1-CB 3.24Å; D71-T73 WeakPolarHBondContact OD1-CB 3.37Å; D71-T73 PolarHBondContact OD1-N 3.37Å; D71-T73 PolarHBondContact OD1-OG1 3.2Å; D71-L74 HydrophobicContact CB-CB 4.16Å; D71-L74 HydrophobicContact CB-CD1 3.99Å; D71-L74 HydrophobicContact CB-CG 4.02Å; D71-L74 PolarHBondContact O-N 2.78Å; D71-R75 WeakPolarHBondContact O-CB 3.33Å; D71-R75 PolarHBondContact O-N 3.39Å | ||
| 72 | P | 90.1 | Very high | 89.6 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -31.3 | -178.6 | 26.2 | -34.6 | 0 | 0 | 0 | 112 | N70 I76 G109 | N70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-I76 VanDerWaalsContact O-CD1 3.26Å; P72-I76 WeakPolarHBondContact O-CD1 3.39Å; P72-I76 WeakPolarHBondContact O-CG1 3.28Å; P72-I76 PolarHBondContact O-N 3.32Å; P72-G109 WeakPolarHBondContact CB-O 3.48Å |
| 73 | T | 90.1 | Very high | 90.4 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -48.9 | -179 | -42.7 | 0 | 0 | 0 | 0 | 110.9 | D71 R75 I76 Q77 | D71-T73 PolarHBondContact O-N 2.91Å; D71-T73 WeakPolarHBondContact OD1-CA 3.38Å; D71-T73 VanDerWaalsContact OD1-CB 3.24Å; D71-T73 WeakPolarHBondContact OD1-CB 3.37Å; D71-T73 PolarHBondContact OD1-N 3.37Å; D71-T73 PolarHBondContact OD1-OG1 3.2Å; T73-R75 VanDerWaalsContact C-N 3.29Å; T73-R75 PolarHBondContact O-N 3.45Å; T73-I76 PolarHBondContact O-N 3.47Å; T73-Q77 WeakPolarHBondContact O-CG 3.18Å; T73-Q77 PolarHBondContact O-N 3.37Å |
| 74 | L | 91.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 51 Ų | 51 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66 | -35.4 | 178.7 | -61.7 | -179.5 | 0 | 0 | 0 | 111.4 | N65 V68 D71 Q77 N78 | N65-L74 HydrophobicContact CB-CB 4.45Å; N65-L74 HydrophobicContact CB-CD2 4.47Å; V68-L74 HydrophobicContact CG1-CB 4.19Å; V68-L74 HydrophobicContact CG2-CB 4.4Å; D71-L74 HydrophobicContact CB-CB 4.16Å; D71-L74 HydrophobicContact CB-CD1 3.99Å; D71-L74 HydrophobicContact CB-CG 4.02Å; D71-L74 PolarHBondContact O-N 2.78Å; L74-Q77 PolarHBondContact O-N 3.03Å; L74-N78 PolarHBondContact O-N 3.43Å |
| 75 | R | 93.3 | Very high | 91.1 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -50.8 | 173 | -178.7 | -177.1 | -71.3 | 145.4 | 3.3 | 112 | V43 D44 V68 N70 D71 T73 Q77 N78 L79 L108 G109 | V43-R75 VanDerWaalsContact CG1-CD 3.44Å; V43-R75 HydrophobicContact CG1-CG 4.32Å; V43-R75 WeakPolarHBondContact O-CG 3.37Å; D44-R75 IonicContact OD1-CZ 3.18Å; D44-R75 IonicContact OD1-NE 3.76Å; D44-R75 PolarHBondContact OD1-NE 3.27Å; D44-R75 VanDerWaalsContact OD1-NE 3.13Å; D44-R75 IonicContact OD1-NH2 2.76Å; D44-R75 PolarHBondContact OD1-NH2 3.25Å; V68-R75 HydrophobicContact CG1-CB 4.08Å; N70-R75 PolarHBondContact OD1-NH2 3.49Å; D71-R75 WeakPolarHBondContact O-CB 3.33Å; D71-R75 PolarHBondContact O-N 3.39Å; T73-R75 VanDerWaalsContact C-N 3.29Å; T73-R75 PolarHBondContact O-N 3.45Å; R75-Q77 VanDerWaalsContact C-N 3.25Å; R75-Q77 PolarHBondContact O-N 3.17Å; R75-N78 PolarHBondContact O-N 2.86Å; R75-L79 HydrophobicContact CG-CD1 3.8Å; R75-L79 HydrophobicContact CG-CG 4.32Å; R75-L79 WeakPolarHBondContact O-CB 3.36Å; R75-L79 WeakPolarHBondContact O-CG 3.32Å; R75-L79 PolarHBondContact O-N 2.95Å; R75-L108 WeakPolarHBondContact CD-O 3.34Å; R75-G109 PolarHBondContact NH1-O 3.36Å; R75-G109 VanDerWaalsContact NH1-O 3.08Å |
| 76 | I | 94.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 178.2 | -62.4 | 157.1 | 0 | 0 | 0 | 109.4 | P72 T73 N78 L79 S80 V105 L106 R110 V212 | P72-I76 VanDerWaalsContact O-CD1 3.26Å; P72-I76 WeakPolarHBondContact O-CD1 3.39Å; P72-I76 WeakPolarHBondContact O-CG1 3.28Å; P72-I76 PolarHBondContact O-N 3.32Å; T73-I76 PolarHBondContact O-N 3.47Å; I76-N78 PolarHBondContact O-N 2.91Å; I76-L79 PolarHBondContact O-N 3.4Å; I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.45Å; I76-S80 PolarHBondContact O-N 3.29Å; I76-S80 PolarHBondContact O-OG 2.83Å; I76-V105 HydrophobicContact CG2-CB 4.35Å; I76-V105 HydrophobicContact CG2-CG2 4.01Å; I76-L106 HydrophobicContact CD1-CD2 4.08Å; I76-L106 HydrophobicContact CG2-CD2 4.22Å; I76-R110 HydrophobicContact CD1-CG 4.43Å; I76-V212 HydrophobicContact CG2-CG1 3.77Å |
| 77 | Q | 92.2 | Very high | 91.6 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 33% | 0.327 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.7 | -50 | 175.8 | -72.9 | 175.3 | -0.7 | 0 | 0 | 112.6 | N65 T73 L74 R75 L79 S80 I81 | N65-Q77 PolarHBondContact ND2-OE1 2.87Å; N65-Q77 VanDerWaalsContact ND2-OE1 3.12Å; T73-Q77 WeakPolarHBondContact O-CG 3.18Å; T73-Q77 PolarHBondContact O-N 3.37Å; L74-Q77 PolarHBondContact O-N 3.03Å; R75-Q77 VanDerWaalsContact C-N 3.25Å; R75-Q77 PolarHBondContact O-N 3.17Å; Q77-L79 PolarHBondContact O-N 2.87Å; Q77-S80 PolarHBondContact O-N 3.47Å; Q77-I81 VanDerWaalsContact O-CG1 3.31Å; Q77-I81 WeakPolarHBondContact O-CG1 3.42Å; Q77-I81 PolarHBondContact O-N 3.19Å |
| 78 | N | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 178.7 | -76.1 | -4.3 | 0 | 0 | 0 | 112.3 | D44 N49 N65 V68 L74 R75 I76 I81 L82 | D44-N78 WeakPolarHBondContact O-CB 3.26Å; D44-N78 PolarHBondContact O-ND2 3.1Å; N49-N78 PolarHBondContact ND2-O 3.41Å; N65-N78 PolarHBondContact N-OD1 2.92Å; N65-N78 PolarHBondContact O-ND2 3.14Å; N65-N78 VanDerWaalsContact O-ND2 3.1Å; V68-N78 VanDerWaalsContact CG2-ND2 3.28Å; V68-N78 WeakPolarHBondContact CG2-ND2 3.46Å; L74-N78 PolarHBondContact O-N 3.43Å; R75-N78 PolarHBondContact O-N 2.86Å; I76-N78 PolarHBondContact O-N 2.91Å; N78-I81 PolarHBondContact O-N 3.43Å; N78-L82 PolarHBondContact O-N 3.43Å |
| 79 | L | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.3 | -34.1 | 178.6 | -65.4 | 174.2 | 0 | 0 | 0 | 112.5 | R75 I76 Q77 I81 L82 I83 V105 L108 M124 | R75-L79 HydrophobicContact CG-CD1 3.8Å; R75-L79 HydrophobicContact CG-CG 4.32Å; R75-L79 WeakPolarHBondContact O-CB 3.36Å; R75-L79 WeakPolarHBondContact O-CG 3.32Å; R75-L79 PolarHBondContact O-N 2.95Å; I76-L79 PolarHBondContact O-N 3.4Å; Q77-L79 PolarHBondContact O-N 2.87Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-L82 WeakPolarHBondContact O-CB 3.38Å; L79-L82 PolarHBondContact O-N 3.49Å; L79-I83 PolarHBondContact O-N 3.27Å; L79-V105 HydrophobicContact CB-CB 4.17Å; L79-V105 HydrophobicContact CB-CG1 3.86Å; L79-L108 HydrophobicContact CD1-CB 3.51Å; L79-L108 HydrophobicContact CD1-CD1 4.15Å; L79-L108 HydrophobicContact CD1-CG 4.46Å; L79-M124 HydrophobicContact CD2-CE 4.09Å |
| 80 | S | 94.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 172.4 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | I76 Q77 L82 R84 | I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.45Å; I76-S80 PolarHBondContact O-N 3.29Å; I76-S80 PolarHBondContact O-OG 2.83Å; Q77-S80 PolarHBondContact O-N 3.47Å; S80-L82 VanDerWaalsContact C-N 3.33Å; S80-R84 WeakPolarHBondContact O-CB 3.4Å; S80-R84 PolarHBondContact O-N 3.47Å; S80-R84 VanDerWaalsContact O-N 3.07Å |
| 81 | I | 94.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 26 Ų | 26 | 9% | 0.087 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -47.8 | 173.5 | -66 | 165.7 | 0 | 0 | 0 | 109.9 | Q62 T64 Q77 N78 L79 R84 Q85 | Q62-I81 HydrophobicContact CB-CD1 4.23Å; Q62-I81 HydrophobicContact CB-CG1 4.2Å; Q62-I81 HydrophobicContact CB-CG2 3.81Å; T64-I81 HydrophobicContact CG2-CD1 4.43Å; Q77-I81 VanDerWaalsContact O-CG1 3.31Å; Q77-I81 WeakPolarHBondContact O-CG1 3.42Å; Q77-I81 PolarHBondContact O-N 3.19Å; N78-I81 PolarHBondContact O-N 3.43Å; L79-I81 VanDerWaalsContact C-N 3.35Å; I81-R84 PolarHBondContact O-N 2.86Å; I81-Q85 WeakPolarHBondContact O-CG 3.17Å; I81-Q85 PolarHBondContact O-N 3.31Å |
| 82 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | -178.9 | -179.8 | 58.9 | 0 | 0 | 0 | 112.3 | L48 N49 M52 N78 L79 S80 R84 Q85 I86 M124 | L48-L82 HydrophobicContact CB-CD1 4.48Å; L48-L82 HydrophobicContact CB-CD2 3.4Å; L48-L82 VanDerWaalsContact CB-CD2 3.4Å; L48-L82 HydrophobicContact CD1-CD2 3.96Å; L48-L82 HydrophobicContact CG-CD2 4.35Å; N49-L82 WeakPolarHBondContact OD1-CA 3.41Å; N49-L82 PolarHBondContact OD1-N 3.46Å; M52-L82 HydrophobicContact CB-CD1 3.64Å; M52-L82 HydrophobicContact CG-CD1 4.05Å; N78-L82 PolarHBondContact O-N 3.43Å; L79-L82 WeakPolarHBondContact O-CB 3.38Å; L79-L82 PolarHBondContact O-N 3.49Å; S80-L82 VanDerWaalsContact C-N 3.33Å; L82-R84 VanDerWaalsContact C-N 3.32Å; L82-R84 PolarHBondContact O-N 2.96Å; L82-Q85 PolarHBondContact O-N 2.86Å; L82-I86 HydrophobicContact CD1-CD1 3.94Å; L82-I86 HydrophobicContact CD1-CG1 4.23Å; L82-I86 HydrophobicContact CG-CD1 3.89Å; L82-I86 WeakPolarHBondContact O-CG1 3.43Å; L82-I86 PolarHBondContact O-N 2.82Å; L82-M124 HydrophobicContact CD2-CE 4.11Å; L82-M124 HydrophobicContact CD2-CG 4.13Å; L82-M124 HydrophobicContact CD2-SD 3.41Å; L82-M124 WeakPolarHBondContact CD2-SD 3.26Å; L82-M124 HydrophobicContact CG-SD 3.8Å |
| 83 | I | 95 | Very high | 93.7 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.077 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -41 | 178.7 | -71.6 | -46.6 | 0 | 0 | 0 | 112.1 | L79 Q85 I86 K87 L102 P103 V105 M124 | L79-I83 PolarHBondContact O-N 3.27Å; I83-Q85 VanDerWaalsContact C-N 3.31Å; I83-Q85 PolarHBondContact O-N 2.91Å; I83-I86 HydrophobicContact CD1-CD1 4.38Å; I83-I86 PolarHBondContact O-N 2.81Å; I83-K87 WeakPolarHBondContact O-CB 3.38Å; I83-K87 PolarHBondContact O-N 3.12Å; I83-L102 HydrophobicContact CG2-CB 4.48Å; I83-L102 HydrophobicContact CG2-CD1 4.08Å; I83-P103 HydrophobicContact CD1-CB 3.95Å; I83-P103 HydrophobicContact CD1-CG 3.67Å; I83-P103 HydrophobicContact CG1-CB 4.49Å; I83-V105 HydrophobicContact CG1-CG1 3.84Å; I83-M124 HydrophobicContact CD1-CE 3.32Å; I83-M124 HydrophobicContact CD1-SD 3.27Å; I83-M124 WeakPolarHBondContact CD1-SD 3.41Å; I83-M124 HydrophobicContact CG1-CE 3.62Å; I83-M124 HydrophobicContact CG1-SD 4.16Å |
| 84 | R | 93.1 | Very high | 93.8 | Very high | 83 Ų | 83 | 30 Ų | 30 | 31% | 0.313 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.4 | -171.9 | 178.8 | -69.9 | 146.8 | -9.4 | 111.4 | S80 I81 L82 A88 E209 | S80-R84 WeakPolarHBondContact O-CB 3.4Å; S80-R84 PolarHBondContact O-N 3.47Å; S80-R84 VanDerWaalsContact O-N 3.07Å; I81-R84 PolarHBondContact O-N 2.86Å; L82-R84 VanDerWaalsContact C-N 3.32Å; L82-R84 PolarHBondContact O-N 2.96Å; R84-A88 VanDerWaalsContact O-CB 3.25Å; R84-A88 WeakPolarHBondContact O-CB 3.47Å; R84-A88 PolarHBondContact O-N 3.38Å; R84-E209 IonicContact CZ-OE2 2.82Å; R84-E209 IonicContact NE-OE2 3.65Å; R84-E209 PolarHBondContact NE-OE2 3.42Å; R84-E209 IonicContact NH2-OE2 3.57Å; R84-E209 PolarHBondContact NH2-OE2 3.3Å |
| 85 | Q | 93.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 176.7 | -72.6 | 178.4 | -6.9 | 0 | 0 | 112.5 | M52 I81 L82 I83 A88 Y89 | M52-Q85 HydrophobicContact CG-CB 3.94Å; I81-Q85 WeakPolarHBondContact O-CG 3.17Å; I81-Q85 PolarHBondContact O-N 3.31Å; L82-Q85 PolarHBondContact O-N 2.86Å; I83-Q85 VanDerWaalsContact C-N 3.31Å; I83-Q85 PolarHBondContact O-N 2.91Å; Q85-A88 PolarHBondContact O-N 2.76Å; Q85-Y89 WeakPolarHBondContact O-CB 3.33Å; Q85-Y89 PolarHBondContact O-N 3.14Å |
| 86 | I | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 176.2 | -71.6 | 171.9 | 0 | 0 | 0 | 110.1 | M52 L82 I83 A88 Y89 Y90 M124 L127 L128 | M52-I86 HydrophobicContact CG-CG1 4.46Å; M52-I86 HydrophobicContact SD-CG1 3.82Å; L82-I86 HydrophobicContact CD1-CD1 3.94Å; L82-I86 HydrophobicContact CD1-CG1 4.23Å; L82-I86 HydrophobicContact CG-CD1 3.89Å; L82-I86 WeakPolarHBondContact O-CG1 3.43Å; L82-I86 PolarHBondContact O-N 2.82Å; I83-I86 HydrophobicContact CD1-CD1 4.38Å; I83-I86 PolarHBondContact O-N 2.81Å; I86-A88 PolarHBondContact O-N 3.47Å; I86-Y89 WeakPolarHBondContact O-CB 3.43Å; I86-Y89 PolarHBondContact O-N 3.27Å; I86-Y90 HydrophobicContact CG2-CD2 3.99Å; I86-Y90 HydrophobicContact CG2-CE2 4.03Å; I86-Y90 WeakPolarHBondContact O-CD2 3.35Å; I86-Y90 PolarHBondContact O-N 3.3Å; I86-M124 HydrophobicContact CD1-SD 3.98Å; I86-L127 HydrophobicContact CG2-CB 3.83Å; I86-L127 HydrophobicContact CG2-CD1 4.45Å; I86-L128 HydrophobicContact CD1-CB 4.26Å; I86-L128 HydrophobicContact CD1-CD1 4.23Å; I86-L128 HydrophobicContact CG1-CD1 4.38Å |
| 87 | K | 93.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 11% | 0.109 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.1 | -51.2 | 178.4 | -178.3 | -169.5 | 171.8 | -173.6 | 0 | 111.5 | I83 Y89 Y90 Q91 L102 D202 D205 | I83-K87 WeakPolarHBondContact O-CB 3.38Å; I83-K87 PolarHBondContact O-N 3.12Å; K87-Y89 PolarHBondContact O-N 3.44Å; K87-Y90 PolarHBondContact O-N 2.86Å; K87-Q91 WeakPolarHBondContact O-CB 3.22Å; K87-Q91 PolarHBondContact O-N 2.84Å; K87-L102 HydrophobicContact CD-CD1 4.35Å; K87-D202 IonicContact NZ-OD1 3.97Å; K87-D205 HydrophobicContact CD-CB 4.24Å; K87-D205 WeakPolarHBondContact CD-OD2 3.29Å; K87-D205 WeakPolarHBondContact CE-OD2 3.41Å; K87-D205 IonicContact NZ-OD2 2.66Å; K87-D205 PolarHBondContact NZ-OD2 3.46Å |
| 88 | A | 93.2 | Very high | 94 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 26% | 0.256 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.8 | -37.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R84 Q85 I86 Q91 E92 | R84-A88 VanDerWaalsContact O-CB 3.25Å; R84-A88 WeakPolarHBondContact O-CB 3.47Å; R84-A88 PolarHBondContact O-N 3.38Å; Q85-A88 PolarHBondContact O-N 2.76Å; I86-A88 PolarHBondContact O-N 3.47Å; A88-Q91 PolarHBondContact O-N 3.33Å; A88-E92 WeakPolarHBondContact O-CA 3.43Å; A88-E92 WeakPolarHBondContact O-CB 3.37Å; A88-E92 WeakPolarHBondContact O-CG 3.46Å; A88-E92 PolarHBondContact O-N 3.23Å |
| 89 | Y | 95.3 | Very high | 94 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -64.5 | -49.2 | 177.3 | -168.3 | -108.1 | 0 | 0 | 0 | 112.9 | M52 I55 N56 Q85 I86 K87 Q91 S93 L94 C131 C135 | M52-Y89 HydrophobicContact CE-CD1 4.44Å; M52-Y89 HydrophobicContact CE-CD2 4.41Å; M52-Y89 HydrophobicContact CE-CG 3.92Å; I55-Y89 HydrophobicContact CG2-CE1 4.47Å; N56-Y89 HydrophobicContact CB-CD2 3.84Å; N56-Y89 HydrophobicContact CB-CE2 3.94Å; N56-Y89 VanDerWaalsContact ND2-CD2 3.34Å; N56-Y89 WeakPolarHBondContact ND2-CD2 3.24Å; Q85-Y89 WeakPolarHBondContact O-CB 3.33Å; Q85-Y89 PolarHBondContact O-N 3.14Å; I86-Y89 WeakPolarHBondContact O-CB 3.43Å; I86-Y89 PolarHBondContact O-N 3.27Å; K87-Y89 PolarHBondContact O-N 3.44Å; Y89-Q91 VanDerWaalsContact C-N 3.33Å; Y89-Q91 PolarHBondContact O-N 3.49Å; Y89-S93 WeakPolarHBondContact CD2-OG 3.32Å; Y89-S93 WeakPolarHBondContact O-CA 3.48Å; Y89-S93 VanDerWaalsContact O-CB 3.25Å; Y89-S93 WeakPolarHBondContact O-CB 3.47Å; Y89-S93 PolarHBondContact O-N 3.32Å; Y89-L94 HydrophobicContact CD1-CD1 3.98Å; Y89-L94 HydrophobicContact CD1-CG 4.08Å; Y89-L94 HydrophobicContact CE1-CD1 3.88Å; Y89-L94 HydrophobicContact CE1-CD2 3.94Å; Y89-L94 HydrophobicContact CE1-CG 3.86Å; Y89-L94 PolarHBondContact O-N 2.8Å; Y89-C131 HydrophobicContact CD1-CB 3.78Å; Y89-C131 HydrophobicContact CE1-CB 4.09Å; Y89-C135 WeakPolarHBondContact OH-CA 3.42Å; Y89-C135 VanDerWaalsContact OH-CB 3.29Å; Y89-C135 WeakPolarHBondContact OH-CB 3.5Å |
| 90 | Y | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -57.4 | -46.9 | 175.5 | -88.2 | -81.9 | 0 | 0 | 0 | 111.7 | I86 K87 L94 Q95 Q96 V98 L127 G130 C131 V170 | I86-Y90 HydrophobicContact CG2-CD2 3.99Å; I86-Y90 HydrophobicContact CG2-CE2 4.03Å; I86-Y90 WeakPolarHBondContact O-CD2 3.35Å; I86-Y90 PolarHBondContact O-N 3.3Å; K87-Y90 PolarHBondContact O-N 2.86Å; Y90-L94 HydrophobicContact CD1-CD1 3.87Å; Y90-L94 HydrophobicContact CE1-CD1 4.1Å; Y90-L94 HydrophobicContact CG-CD1 4.33Å; Y90-L94 CarbonylContact O-C 3.56Å; Y90-L94 WeakPolarHBondContact O-CB 3.26Å; Y90-L94 PolarHBondContact O-N 3.12Å; Y90-Q95 PolarHBondContact O-N 2.88Å; Y90-Q96 CarbonylContact C-O 3.56Å; Y90-Q96 VanDerWaalsContact C-O 3.25Å; Y90-Q96 HydrophobicContact CD1-CB 4.08Å; Y90-Q96 PolarHBondContact O-N 3.18Å; Y90-Q96 VanDerWaalsContact O-O 3.12Å; Y90-V98 HydrophobicContact CD1-CG2 4.12Å; Y90-V98 HydrophobicContact CD2-CG2 3.89Å; Y90-V98 HydrophobicContact CE2-CG2 4.43Å; Y90-V98 HydrophobicContact CG-CG2 3.7Å; Y90-L127 HydrophobicContact CE2-CB 4.35Å; Y90-L127 HydrophobicContact CE2-CD2 4.2Å; Y90-L127 PolarHBondContact OH-O 3.41Å; Y90-G130 VanDerWaalsContact OH-CA 3.27Å; Y90-G130 WeakPolarHBondContact OH-CA 3.37Å; Y90-C131 WeakPolarHBondContact CE2-SG 3.48Å; Y90-V170 HydrophobicContact CD1-CG1 4.26Å; Y90-V170 HydrophobicContact CE1-CG1 4.17Å; Y90-V170 HydrophobicContact CE1-CG2 4.22Å |
| 91 | Q | 92.6 | Very high | 93.8 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -79.1 | -42.5 | -172.6 | -168.3 | 171.7 | -1.9 | 0 | 0 | 113.5 | K87 A88 Y89 Q95 Q96 L97 K198 D202 | K87-Q91 WeakPolarHBondContact O-CB 3.22Å; K87-Q91 PolarHBondContact O-N 2.84Å; A88-Q91 PolarHBondContact O-N 3.33Å; Y89-Q91 VanDerWaalsContact C-N 3.33Å; Y89-Q91 PolarHBondContact O-N 3.49Å; Q91-Q95 PolarHBondContact O-NE2 3.27Å; Q91-Q96 WeakPolarHBondContact CA-O 3.35Å; Q91-Q96 PolarHBondContact N-O 3.41Å; Q91-L97 HydrophobicContact CG-CD2 4.49Å; Q91-K198 VanDerWaalsContact NE2-CE 3.31Å; Q91-D202 PolarHBondContact NE2-OD1 3.11Å; Q91-D202 PolarHBondContact NE2-OD2 2.87Å; Q91-D202 PolarHBondContact OE1-OD1 3.4Å |
| 92 | E | 91.7 | Very high | 93.8 | Very high | 143 Ų | 143 | 34.7 Ų | 34.7 | 67% | 0.668 | 18% | 0.18 | S | C | * | . | I | π-helix | trans | -90.8 | -41.5 | -174.3 | -58.3 | 179.5 | 179.6 | 0 | 0 | 112.3 | A88 Q95 | A88-E92 WeakPolarHBondContact O-CA 3.43Å; A88-E92 WeakPolarHBondContact O-CB 3.37Å; A88-E92 WeakPolarHBondContact O-CG 3.46Å; A88-E92 PolarHBondContact O-N 3.23Å; E92-Q95 PolarHBondContact O-NE2 2.85Å |
| 93 | S | 93 | Very high | 93.8 | Very high | 65 Ų | 65 | 35 Ų | 35 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -91.4 | -44.5 | -175.7 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | Y89 | Y89-S93 WeakPolarHBondContact CD2-OG 3.32Å; Y89-S93 WeakPolarHBondContact O-CA 3.48Å; Y89-S93 VanDerWaalsContact O-CB 3.25Å; Y89-S93 WeakPolarHBondContact O-CB 3.47Å; Y89-S93 PolarHBondContact O-N 3.32Å |
| 94 | L | 93.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -90.6 | -12.7 | -178.1 | -54.5 | 180 | 0 | 0 | 0 | 113.5 | Y89 Y90 Q96 Q134 | Y89-L94 HydrophobicContact CD1-CD1 3.98Å; Y89-L94 HydrophobicContact CD1-CG 4.08Å; Y89-L94 HydrophobicContact CE1-CD1 3.88Å; Y89-L94 HydrophobicContact CE1-CD2 3.94Å; Y89-L94 HydrophobicContact CE1-CG 3.86Å; Y89-L94 PolarHBondContact O-N 2.8Å; Y90-L94 HydrophobicContact CD1-CD1 3.87Å; Y90-L94 HydrophobicContact CE1-CD1 4.1Å; Y90-L94 HydrophobicContact CG-CD1 4.33Å; Y90-L94 CarbonylContact O-C 3.56Å; Y90-L94 WeakPolarHBondContact O-CB 3.26Å; Y90-L94 PolarHBondContact O-N 3.12Å; L94-Q96 HydrophobicContact CB-CB 4.31Å; L94-Q96 HydrophobicContact CB-CG 4.21Å; L94-Q96 PolarHBondContact O-N 2.88Å; L94-Q134 HydrophobicContact CD1-CB 3.87Å; L94-Q134 HydrophobicContact CD2-CB 3.79Å |
| 95 | Q | 92.6 | Very high | 94 | Very high | 72 Ų | 72 | 33.7 Ų | 33.7 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | trans | 54.3 | 39 | -173.4 | -60.2 | -64.8 | -47.1 | 0 | 0 | 112.7 | Y90 Q91 E92 L173 Q174 | Y90-Q95 PolarHBondContact O-N 2.88Å; Q91-Q95 PolarHBondContact O-NE2 3.27Å; E92-Q95 PolarHBondContact O-NE2 2.85Å; Q95-L173 VanDerWaalsContact O-CB 3.28Å; Q95-L173 WeakPolarHBondContact O-CB 3.49Å; Q95-L173 PolarHBondContact O-N 2.84Å; Q95-Q174 HydrophobicContact CB-CG 4.17Å | ||
| 96 | Q | 93.8 | Very high | 94 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145 | -179.1 | -74.3 | 171.5 | 1.8 | 0 | 0 | 110.8 | Y90 Q91 L94 V170 V171 D172 | Y90-Q96 CarbonylContact C-O 3.56Å; Y90-Q96 VanDerWaalsContact C-O 3.25Å; Y90-Q96 HydrophobicContact CD1-CB 4.08Å; Y90-Q96 PolarHBondContact O-N 3.18Å; Y90-Q96 VanDerWaalsContact O-O 3.12Å; Q91-Q96 WeakPolarHBondContact CA-O 3.35Å; Q91-Q96 PolarHBondContact N-O 3.41Å; L94-Q96 HydrophobicContact CB-CB 4.31Å; L94-Q96 HydrophobicContact CB-CG 4.21Å; L94-Q96 PolarHBondContact O-N 2.88Å; Q96-V170 HydrophobicContact CB-CG1 3.74Å; Q96-V170 HydrophobicContact CG-CG1 4.11Å; Q96-V171 CarbonylContact C-O 3.58Å; Q96-V171 WeakPolarHBondContact CA-O 3.46Å; Q96-D172 HydrophobicContact CG-CB 4.05Å |
| 97 | L | 93.4 | Very high | 94 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.8 | 173.1 | -65.7 | 179.9 | 0 | 0 | 0 | 110.9 | Q91 M99 V170 V171 L173 L197 K198 | Q91-L97 HydrophobicContact CG-CD2 4.49Å; L97-M99 HydrophobicContact CB-SD 4.24Å; L97-M99 PolarHBondContact O-N 3.06Å; L97-V170 CarbonylContact O-C 3.56Å; L97-V170 VanDerWaalsContact O-CA 3.3Å; L97-V170 WeakPolarHBondContact O-CA 3.41Å; L97-V171 PolarHBondContact N-O 2.9Å; L97-V171 PolarHBondContact O-N 3.21Å; L97-L173 HydrophobicContact CD1-CD1 4.43Å; L97-L173 HydrophobicContact CD1-CD2 3.7Å; L97-L173 HydrophobicContact CD1-CG 4.32Å; L97-L173 HydrophobicContact CD2-CD1 4.14Å; L97-L173 HydrophobicContact CG-CD1 3.93Å; L97-L173 HydrophobicContact CG-CD2 3.94Å; L97-L173 HydrophobicContact CG-CG 3.99Å; L97-L197 HydrophobicContact CD1-CB 4.41Å; L97-K198 HydrophobicContact CD1-CB 4.05Å; L97-K198 HydrophobicContact CD2-CB 4.31Å; L97-K198 HydrophobicContact CD2-CG 4.12Å |
| 98 | V | 95.3 | Very high | 94 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 98.5 | 172.9 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | Y90 M100 L102 L127 N169 R204 | Y90-V98 HydrophobicContact CD1-CG2 4.12Å; Y90-V98 HydrophobicContact CD2-CG2 3.89Å; Y90-V98 HydrophobicContact CE2-CG2 4.43Å; Y90-V98 HydrophobicContact CG-CG2 3.7Å; V98-M100 HydrophobicContact CG1-CG 3.69Å; V98-L102 HydrophobicContact CB-CD2 4.38Å; V98-L102 HydrophobicContact CG1-CD2 4Å; V98-L127 HydrophobicContact CG1-CD1 4.36Å; V98-L127 HydrophobicContact CG1-CD2 3.87Å; V98-L127 HydrophobicContact CG2-CD2 4.48Å; V98-N169 CarbonylContact C-O 3.57Å; V98-R204 PolarHBondContact O-NH2 2.87Å |
| 99 | M | 93.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 28% | 0.276 | 17% | 0.17 | S | C | . | . | trans | -77.5 | -34.1 | -178.1 | -65 | -53.9 | -64.9 | 0 | 0 | 112.3 | L97 E168 N169 V171 L197 V201 R204 | L97-M99 HydrophobicContact CB-SD 4.24Å; L97-M99 PolarHBondContact O-N 3.06Å; M99-E168 VanDerWaalsContact CB-O 3.27Å; M99-E168 WeakPolarHBondContact CB-O 3.39Å; M99-N169 PolarHBondContact N-O 2.91Å; M99-V171 HydrophobicContact CG-CB 4.14Å; M99-V171 HydrophobicContact CG-CG2 3.48Å; M99-V171 VanDerWaalsContact CG-CG2 3.48Å; M99-V171 HydrophobicContact SD-CG2 4.29Å; M99-L197 HydrophobicContact CE-CD2 4.43Å; M99-V201 HydrophobicContact CE-CG2 4.24Å; M99-V201 HydrophobicContact SD-CG2 3.68Å; M99-R204 PolarHBondContact O-NH1 3Å | ||
| 100 | M | 94.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -62 | 153.4 | 173.4 | 65.3 | -177.8 | -64.7 | 0 | 0 | 111.6 | V98 L102 K123 L126 L127 N169 R204 | V98-M100 HydrophobicContact CG1-CG 3.69Å; M100-L102 PolarHBondContact O-N 3.23Å; M100-K123 HydrophobicContact CE-CB 4.44Å; M100-K123 HydrophobicContact CE-CG 4.11Å; M100-L126 HydrophobicContact CE-CD2 4.43Å; M100-L127 HydrophobicContact SD-CD2 3.99Å; M100-N169 HydrophobicContact CB-CB 4.37Å; M100-N169 HydrophobicContact CG-CB 4.44Å; M100-N169 PolarHBondContact N-O 2.9Å; M100-N169 VanDerWaalsContact N-O 3.15Å; M100-N169 HydrophobicContact SD-CB 4.15Å; M100-R204 PolarHBondContact O-NH1 3.25Å |
| 101 | P | 92.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -60 | 130.5 | 174.8 | -22.6 | 33.6 | 0 | 0 | 0 | 111.6 | ||
| 102 | L | 94.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -63 | 150.6 | 175.1 | -68.4 | 177.9 | 0 | 0 | 0 | 111.3 | I83 K87 V98 M100 N104 L127 D205 | I83-L102 HydrophobicContact CG2-CB 4.48Å; I83-L102 HydrophobicContact CG2-CD1 4.08Å; K87-L102 HydrophobicContact CD-CD1 4.35Å; V98-L102 HydrophobicContact CB-CD2 4.38Å; V98-L102 HydrophobicContact CG1-CD2 4Å; M100-L102 PolarHBondContact O-N 3.23Å; L102-N104 PolarHBondContact O-N 2.82Å; L102-L127 HydrophobicContact CD2-CD1 4.12Å; L102-D205 HydrophobicContact CD1-CB 4.24Å; L102-D205 VanDerWaalsContact CD1-CG 3.49Å; L102-D205 WeakPolarHBondContact CD1-OD1 3.25Å; L102-D205 WeakPolarHBondContact CD1-OD2 3.41Å |
| 103 | P | 96.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 128.3 | 178.8 | -26.6 | 35.4 | 0 | 0 | 0 | 112.6 | I83 V105 E120 K123 M124 L127 | I83-P103 HydrophobicContact CD1-CB 3.95Å; I83-P103 HydrophobicContact CD1-CG 3.67Å; I83-P103 HydrophobicContact CG1-CB 4.49Å; P103-V105 PolarHBondContact O-N 3.21Å; P103-E120 WeakPolarHBondContact CA-OE2 3.49Å; P103-K123 HydrophobicContact CB-CB 4.48Å; P103-K123 HydrophobicContact CG-CB 3.91Å; P103-M124 HydrophobicContact CB-CB 4.26Å; P103-M124 HydrophobicContact CB-CE 4.1Å; P103-M124 HydrophobicContact CG-CB 4.13Å; P103-L127 HydrophobicContact CG-CD1 4.12Å |
| 104 | N | 95.4 | Very high | 93.3 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | trans | -77.7 | 97.4 | -177.8 | -170.1 | -31.4 | 0 | 0 | 0 | 111.4 | L102 L106 V107 L108 E120 | L102-N104 PolarHBondContact O-N 2.82Å; N104-L106 PolarHBondContact O-N 3.09Å; N104-L106 WeakPolarHBondContact OD1-CB 3.26Å; N104-L106 PolarHBondContact OD1-N 3.4Å; N104-L106 VanDerWaalsContact OD1-N 3.08Å; N104-V107 HydrophobicContact CB-CB 4.31Å; N104-V107 HydrophobicContact CB-CG2 4.07Å; N104-V107 PolarHBondContact O-N 2.84Å; N104-V107 VanDerWaalsContact O-N 3.16Å; N104-V107 PolarHBondContact OD1-N 2.64Å; N104-L108 PolarHBondContact O-N 2.8Å; N104-E120 HydrophobicContact CB-CG 4.1Å; N104-E120 PolarHBondContact N-OE2 3.5Å | ||
| 105 | V | 95.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -24.5 | -178.5 | -60.5 | 0 | 0 | 0 | 0 | 114 | I76 L79 I83 P103 G109 V212 | I76-V105 HydrophobicContact CG2-CB 4.35Å; I76-V105 HydrophobicContact CG2-CG2 4.01Å; L79-V105 HydrophobicContact CB-CB 4.17Å; L79-V105 HydrophobicContact CB-CG1 3.86Å; I83-V105 HydrophobicContact CG1-CG1 3.84Å; P103-V105 PolarHBondContact O-N 3.21Å; V105-G109 WeakPolarHBondContact O-CA 3.5Å; V105-G109 PolarHBondContact O-N 3Å; V105-V212 HydrophobicContact CG2-CG1 4Å; V105-V212 HydrophobicContact CG2-CG2 3.63Å |
| 106 | L | 94.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.4 | -37.8 | 176.1 | -65.9 | 172.6 | 0 | 0 | 0 | 111.5 | I76 N104 R110 I211 V212 T215 | I76-L106 HydrophobicContact CD1-CD2 4.08Å; I76-L106 HydrophobicContact CG2-CD2 4.22Å; N104-L106 PolarHBondContact O-N 3.09Å; N104-L106 WeakPolarHBondContact OD1-CB 3.26Å; N104-L106 PolarHBondContact OD1-N 3.4Å; N104-L106 VanDerWaalsContact OD1-N 3.08Å; L106-R110 WeakPolarHBondContact O-CB 3.5Å; L106-R110 WeakPolarHBondContact O-CG 3.41Å; L106-R110 PolarHBondContact O-N 3.38Å; L106-I211 HydrophobicContact CD1-CG2 4.4Å; L106-V212 HydrophobicContact CD1-CG2 4.28Å; L106-V212 HydrophobicContact CD2-CG1 4.19Å; L106-V212 HydrophobicContact CD2-CG2 4.49Å; L106-V212 HydrophobicContact CG-CG2 4.07Å; L106-T215 HydrophobicContact CD1-CG2 4.08Å; L106-T215 HydrophobicContact CD2-CG2 3.93Å |
| 107 | V | 94.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -50 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | N104 G109 R110 N111 Q116 E120 | N104-V107 HydrophobicContact CB-CB 4.31Å; N104-V107 HydrophobicContact CB-CG2 4.07Å; N104-V107 PolarHBondContact O-N 2.84Å; N104-V107 VanDerWaalsContact O-N 3.16Å; N104-V107 PolarHBondContact OD1-N 2.64Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 3.42Å; V107-R110 PolarHBondContact O-N 2.96Å; V107-N111 CarbonylContact O-C 3.58Å; V107-N111 VanDerWaalsContact O-C 3.24Å; V107-N111 WeakPolarHBondContact O-CA 3.49Å; V107-N111 PolarHBondContact O-N 2.76Å; V107-Q116 HydrophobicContact CG1-CB 4.19Å; V107-Q116 HydrophobicContact CG1-CG 3.99Å; V107-E120 HydrophobicContact CB-CG 4.3Å; V107-E120 HydrophobicContact CG1-CG 4.22Å |
| 108 | L | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -37.5 | 175.6 | -70.5 | 175.2 | 0 | 0 | 0 | 112.7 | V43 R75 L79 N104 P112 G117 E120 M121 M124 | V43-L108 WeakPolarHBondContact CG1-O 3.43Å; R75-L108 WeakPolarHBondContact CD-O 3.34Å; L79-L108 HydrophobicContact CD1-CB 3.51Å; L79-L108 HydrophobicContact CD1-CD1 4.15Å; L79-L108 HydrophobicContact CD1-CG 4.46Å; N104-L108 PolarHBondContact O-N 2.8Å; L108-P112 WeakPolarHBondContact O-CB 3.48Å; L108-G117 WeakPolarHBondContact CD2-O 3.44Å; L108-E120 HydrophobicContact CD1-CB 4.2Å; L108-E120 HydrophobicContact CD2-CB 3.95Å; L108-E120 HydrophobicContact CG-CB 3.83Å; L108-M121 HydrophobicContact CD2-CB 3.91Å; L108-M121 HydrophobicContact CD2-CE 4.22Å; L108-M124 HydrophobicContact CD1-CE 4.06Å |
| 109 | G | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -57.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P72 R75 V105 V107 | P72-G109 WeakPolarHBondContact CB-O 3.48Å; R75-G109 PolarHBondContact NH1-O 3.36Å; R75-G109 VanDerWaalsContact NH1-O 3.08Å; V105-G109 WeakPolarHBondContact O-CA 3.5Å; V105-G109 PolarHBondContact O-N 3Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 3.42Å |
| 110 | R | 90.9 | Very high | 93.3 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -89.2 | -43.7 | -168.4 | -66.2 | 179.1 | 174 | 152.5 | -3.9 | 113.3 | I76 L106 V107 P112 D219 | I76-R110 HydrophobicContact CD1-CG 4.43Å; L106-R110 WeakPolarHBondContact O-CB 3.5Å; L106-R110 WeakPolarHBondContact O-CG 3.41Å; L106-R110 PolarHBondContact O-N 3.38Å; V107-R110 PolarHBondContact O-N 2.96Å; R110-P112 WeakPolarHBondContact O-CD 3.39Å; R110-D219 IonicContact CZ-OD2 3.72Å; R110-D219 IonicContact NE-OD2 3.3Å; R110-D219 IonicContact NH2-OD1 3.53Å; R110-D219 IonicContact NH2-OD2 3.76Å; R110-D219 PolarHBondContact NH2-OD2 3.47Å |
| 111 | N | 90.9 | Very high | 93.4 | Very high | 106 Ų | 106 | 44 Ų | 44 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | trans | -128.4 | 57.6 | -172.3 | -61.8 | -32.6 | 0 | 0 | 0 | 111.1 | V107 L113 S114 | V107-N111 CarbonylContact O-C 3.58Å; V107-N111 VanDerWaalsContact O-C 3.24Å; V107-N111 WeakPolarHBondContact O-CA 3.49Å; V107-N111 PolarHBondContact O-N 2.76Å; N111-L113 VanDerWaalsContact C-N 3.26Å; N111-L113 PolarHBondContact O-N 3.33Å; N111-S114 WeakPolarHBondContact O-CB 3.3Å; N111-S114 PolarHBondContact O-N 2.89Å; N111-S114 PolarHBondContact O-OG 3.43Å | ||
| 112 | P | 90.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.3 | -176.9 | 26.8 | -36.5 | 0 | 0 | 0 | 113.1 | Y39 V43 L108 R110 S114 | Y39-P112 HydrophobicContact CE1-CB 4.27Å; Y39-P112 PolarHBondContact OH-O 2.82Å; Y39-P112 VanDerWaalsContact OH-O 3.05Å; V43-P112 HydrophobicContact CB-CB 4.4Å; V43-P112 HydrophobicContact CG1-CB 3.5Å; V43-P112 HydrophobicContact CG1-CG 4.33Å; V43-P112 HydrophobicContact CG2-CB 4.19Å; L108-P112 WeakPolarHBondContact O-CB 3.48Å; R110-P112 WeakPolarHBondContact O-CD 3.39Å; P112-S114 PolarHBondContact O-N 3.15Å; P112-S114 VanDerWaalsContact O-N 3.16Å |
| 113 | L | 90.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 43.8 Ų | 43.8 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 42.1 | -179.7 | -58.2 | 175.4 | 0 | 0 | 0 | 111.8 | F6 L10 L36 Y39 N111 | F6-L113 HydrophobicContact CD1-CB 3.92Å; F6-L113 WeakPolarHBondContact CD2-O 3.49Å; F6-L113 HydrophobicContact CE1-CB 3.54Å; F6-L113 HydrophobicContact CE1-CD2 3.89Å; F6-L113 HydrophobicContact CE1-CG 4.31Å; F6-L113 WeakPolarHBondContact CE1-O 3.37Å; F6-L113 VanDerWaalsContact CE2-C 3.43Å; F6-L113 WeakPolarHBondContact CE2-O 3.28Å; F6-L113 VanDerWaalsContact CZ-CA 3.47Å; F6-L113 HydrophobicContact CZ-CB 4.15Å; F6-L113 WeakPolarHBondContact CZ-O 3.35Å; L10-L113 HydrophobicContact CD2-CD2 4.24Å; L36-L113 HydrophobicContact CD1-CD1 3.97Å; L36-L113 HydrophobicContact CD1-CD2 3.63Å; L36-L113 HydrophobicContact CD1-CG 4.47Å; Y39-L113 HydrophobicContact CD1-CD2 3.73Å; Y39-L113 HydrophobicContact CE1-CD2 3.84Å; N111-L113 VanDerWaalsContact C-N 3.26Å; N111-L113 PolarHBondContact O-N 3.33Å |
| 114 | S | 91.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -119.4 | 158.3 | 173.1 | 65.3 | 0 | 0 | 0 | 0 | 109.9 | F6 N111 P112 Q116 G117 L118 | F6-S114 VanDerWaalsContact CE2-C 3.44Å; N111-S114 WeakPolarHBondContact O-CB 3.3Å; N111-S114 PolarHBondContact O-N 2.89Å; N111-S114 PolarHBondContact O-OG 3.43Å; P112-S114 PolarHBondContact O-N 3.15Å; P112-S114 VanDerWaalsContact O-N 3.16Å; S114-Q116 PolarHBondContact O-N 2.78Å; S114-G117 WeakPolarHBondContact O-CA 3.5Å; S114-G117 PolarHBondContact O-N 3.49Å; S114-G117 PolarHBondContact OG-N 2.75Å; S114-L118 PolarHBondContact O-N 3.29Å |
| 115 | E | 90.4 | Very high | 93.9 | Very high | 150 Ų | 150 | 40.6 Ų | 40.6 | 70% | 0.701 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -55.2 | -41.8 | 175.6 | -175.6 | 178.9 | -177.4 | 0 | 0 | 110.9 | G117 L118 E119 | E115-G117 PolarHBondContact O-N 3.22Å; E115-L118 PolarHBondContact O-N 3.04Å; E115-E119 PolarHBondContact O-N 3.36Å; E115-E119 VanDerWaalsContact O-N 3.1Å |
| 116 | Q | 92 | Very high | 94 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 53% | 0.533 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 173.6 | -162.1 | -179.2 | 1.5 | 0 | 0 | 111.9 | V107 S114 L118 E119 E120 | V107-Q116 HydrophobicContact CG1-CB 4.19Å; V107-Q116 HydrophobicContact CG1-CG 3.99Å; S114-Q116 PolarHBondContact O-N 2.78Å; Q116-L118 PolarHBondContact O-N 2.82Å; Q116-E119 PolarHBondContact O-N 2.94Å; Q116-E120 WeakPolarHBondContact O-CG 3.38Å; Q116-E120 PolarHBondContact O-N 3.41Å |
| 117 | G | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L108 S114 E115 E120 M121 | L108-G117 WeakPolarHBondContact CD2-O 3.44Å; S114-G117 WeakPolarHBondContact O-CA 3.5Å; S114-G117 PolarHBondContact O-N 3.49Å; S114-G117 PolarHBondContact OG-N 2.75Å; E115-G117 PolarHBondContact O-N 3.22Å; G117-E120 PolarHBondContact O-N 3.07Å; G117-M121 WeakPolarHBondContact O-CB 3.41Å; G117-M121 PolarHBondContact O-N 3.49Å |
| 118 | L | 94.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.3 | -62.7 | 177.6 | 0 | 0 | 0 | 111.5 | F6 L9 L10 F13 Y39 S114 E115 Q116 M121 R122 | F6-L118 HydrophobicContact CE2-CD1 4.03Å; F6-L118 HydrophobicContact CZ-CD1 3.63Å; F6-L118 HydrophobicContact CZ-CD2 4.23Å; F6-L118 HydrophobicContact CZ-CG 3.84Å; L9-L118 HydrophobicContact CB-CD1 4.22Å; L10-L118 HydrophobicContact CD1-CD2 3.91Å; F13-L118 HydrophobicContact CB-CD1 4.16Å; F13-L118 HydrophobicContact CB-CD2 4.07Å; F13-L118 HydrophobicContact CD1-CD2 3.85Å; F13-L118 HydrophobicContact CD2-CB 4.08Å; F13-L118 HydrophobicContact CD2-CD2 4.38Å; F13-L118 HydrophobicContact CE1-CD2 4.44Å; F13-L118 WeakPolarHBondContact CE2-O 3.31Å; F13-L118 HydrophobicContact CG-CB 4.33Å; F13-L118 HydrophobicContact CG-CD2 3.82Å; F13-L118 HydrophobicContact CG-CG 4.46Å; Y39-L118 HydrophobicContact CD2-CD2 4.47Å; Y39-L118 HydrophobicContact CE1-CD2 4.13Å; Y39-L118 HydrophobicContact CE2-CD2 3.73Å; S114-L118 PolarHBondContact O-N 3.29Å; E115-L118 PolarHBondContact O-N 3.04Å; Q116-L118 PolarHBondContact O-N 2.82Å; L118-M121 PolarHBondContact O-N 3.42Å; L118-R122 PolarHBondContact O-N 3.02Å |
| 119 | E | 95.4 | Very high | 94.4 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 38% | 0.379 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.4 | -40.4 | 177.7 | -170.9 | 56.7 | -145 | 0 | 0 | 112.4 | E115 Q116 M121 R122 K123 | E115-E119 PolarHBondContact O-N 3.36Å; E115-E119 VanDerWaalsContact O-N 3.1Å; Q116-E119 PolarHBondContact O-N 2.94Å; E119-M121 VanDerWaalsContact C-N 3.27Å; E119-M121 PolarHBondContact O-N 2.92Å; E119-R122 WeakPolarHBondContact O-CB 3.33Å; E119-R122 PolarHBondContact O-N 2.92Å; E119-R122 VanDerWaalsContact O-N 3.16Å; E119-R122 IonicContact OE1-NH1 3.8Å; E119-R122 PolarHBondContact OE1-NH1 2.78Å; E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.29Å |
| 120 | E | 96.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -33.9 | 174 | -64.7 | -51.4 | 137.5 | 0 | 0 | 111.7 | P103 N104 V107 L108 Q116 G117 K123 M124 | P103-E120 WeakPolarHBondContact CA-OE2 3.49Å; N104-E120 HydrophobicContact CB-CG 4.1Å; N104-E120 PolarHBondContact N-OE2 3.5Å; V107-E120 HydrophobicContact CB-CG 4.3Å; V107-E120 HydrophobicContact CG1-CG 4.22Å; L108-E120 HydrophobicContact CD1-CB 4.2Å; L108-E120 HydrophobicContact CD2-CB 3.95Å; L108-E120 HydrophobicContact CG-CB 3.83Å; Q116-E120 WeakPolarHBondContact O-CG 3.38Å; Q116-E120 PolarHBondContact O-N 3.41Å; G117-E120 PolarHBondContact O-N 3.07Å; E120-K123 PolarHBondContact O-N 3.13Å; E120-K123 IonicContact OE1-NZ 3.98Å; E120-K123 PolarHBondContact OE1-NZ 3.34Å; E120-K123 IonicContact OE2-NZ 2.93Å; E120-M124 PolarHBondContact O-N 3.42Å |
| 121 | M | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.6 | -39.1 | 172.8 | -176 | 55 | 74.7 | 0 | 0 | 110.9 | F13 Y39 L42 V43 L48 L108 G117 L118 E119 K123 M124 L125 | F13-M121 HydrophobicContact CE1-CG 4.11Å; F13-M121 HydrophobicContact CZ-CB 3.96Å; F13-M121 HydrophobicContact CZ-CG 3.71Å; Y39-M121 HydrophobicContact CE2-CB 4.3Å; Y39-M121 HydrophobicContact CE2-CG 4.04Å; L42-M121 HydrophobicContact CB-CE 4.19Å; L42-M121 HydrophobicContact CB-SD 4.45Å; V43-M121 HydrophobicContact CB-CE 4.07Å; V43-M121 HydrophobicContact CG2-CE 3.57Å; L48-M121 HydrophobicContact CD1-CE 4.38Å; L48-M121 HydrophobicContact CD1-SD 3.98Å; L108-M121 HydrophobicContact CD2-CB 3.91Å; L108-M121 HydrophobicContact CD2-CE 4.22Å; G117-M121 WeakPolarHBondContact O-CB 3.41Å; G117-M121 PolarHBondContact O-N 3.49Å; L118-M121 PolarHBondContact O-N 3.42Å; E119-M121 VanDerWaalsContact C-N 3.27Å; E119-M121 PolarHBondContact O-N 2.92Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 2.97Å; M121-M124 WeakPolarHBondContact O-CB 3.37Å; M121-M124 PolarHBondContact O-N 2.9Å; M121-M124 VanDerWaalsContact O-N 3.15Å; M121-M124 HydrophobicContact SD-CB 4.1Å; M121-M124 HydrophobicContact SD-CG 4.21Å; M121-L125 HydrophobicContact CG-CG 4.35Å; M121-L125 WeakPolarHBondContact O-CG 3.32Å; M121-L125 PolarHBondContact O-N 3.25Å; M121-L125 HydrophobicContact SD-CD2 3.95Å; M121-L125 HydrophobicContact SD-CG 4.16Å |
| 122 | R | 96.9 | Very high | 95.2 | Very high | 62 Ų | 62 | 28.8 Ų | 28.8 | 23% | 0.234 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.6 | -48.6 | 173 | -173.2 | -173 | 162.5 | -93.8 | -12.2 | 110.9 | F13 L18 L118 E119 M124 L125 L126 H159 E162 | F13-R122 HydrophobicContact CE2-CB 4.16Å; L18-R122 HydrophobicContact CD1-CG 3.8Å; L118-R122 PolarHBondContact O-N 3.02Å; E119-R122 WeakPolarHBondContact O-CB 3.33Å; E119-R122 PolarHBondContact O-N 2.92Å; E119-R122 VanDerWaalsContact O-N 3.16Å; E119-R122 IonicContact OE1-NH1 3.8Å; E119-R122 PolarHBondContact OE1-NH1 2.78Å; R122-M124 VanDerWaalsContact C-N 3.34Å; R122-M124 PolarHBondContact O-N 3.48Å; R122-L125 PolarHBondContact O-N 2.93Å; R122-L126 VanDerWaalsContact O-CB 3.24Å; R122-L126 WeakPolarHBondContact O-CB 3.23Å; R122-L126 PolarHBondContact O-N 3.23Å; R122-H159 PolarHBondContact NH2-CE1 3.46Å; R122-E162 IonicContact NH2-OE1 3.88Å; R122-E162 PolarHBondContact NH2-OE1 3.33Å; R122-E162 IonicContact NH2-OE2 2.83Å; R122-E162 PolarHBondContact NH2-OE2 2.98Å |
| 123 | K | 97.3 | Very high | 95.4 | Very high | 38 Ų | 38 | 28.6 Ų | 28.6 | 17% | 0.165 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.9 | -65.2 | 173.3 | -169.7 | 165.9 | 0 | 112.3 | M100 P103 E119 E120 M121 L126 L127 | M100-K123 HydrophobicContact CE-CB 4.44Å; M100-K123 HydrophobicContact CE-CG 4.11Å; P103-K123 HydrophobicContact CB-CB 4.48Å; P103-K123 HydrophobicContact CG-CB 3.91Å; E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.29Å; E120-K123 PolarHBondContact O-N 3.13Å; E120-K123 IonicContact OE1-NZ 3.98Å; E120-K123 PolarHBondContact OE1-NZ 3.34Å; E120-K123 IonicContact OE2-NZ 2.93Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 2.97Å; K123-L126 PolarHBondContact O-N 3.4Å; K123-L127 WeakPolarHBondContact O-CG 3.49Å; K123-L127 PolarHBondContact O-N 3.48Å |
| 124 | M | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.6 | -51.2 | 175.3 | 179.6 | 73.6 | 73.9 | 0 | 0 | 111.5 | L48 L79 L82 I83 I86 P103 L108 E120 M121 R122 L126 L128 | L48-M124 HydrophobicContact CD1-CG 3.95Å; L79-M124 HydrophobicContact CD2-CE 4.09Å; L82-M124 HydrophobicContact CD2-CE 4.11Å; L82-M124 HydrophobicContact CD2-CG 4.13Å; L82-M124 HydrophobicContact CD2-SD 3.41Å; L82-M124 WeakPolarHBondContact CD2-SD 3.26Å; L82-M124 HydrophobicContact CG-SD 3.8Å; I83-M124 HydrophobicContact CD1-CE 3.32Å; I83-M124 HydrophobicContact CD1-SD 3.27Å; I83-M124 WeakPolarHBondContact CD1-SD 3.41Å; I83-M124 HydrophobicContact CG1-CE 3.62Å; I83-M124 HydrophobicContact CG1-SD 4.16Å; I86-M124 HydrophobicContact CD1-SD 3.98Å; P103-M124 HydrophobicContact CB-CB 4.26Å; P103-M124 HydrophobicContact CB-CE 4.1Å; P103-M124 HydrophobicContact CG-CB 4.13Å; L108-M124 HydrophobicContact CD1-CE 4.06Å; E120-M124 PolarHBondContact O-N 3.42Å; M121-M124 WeakPolarHBondContact O-CB 3.37Å; M121-M124 PolarHBondContact O-N 2.9Å; M121-M124 VanDerWaalsContact O-N 3.15Å; M121-M124 HydrophobicContact SD-CB 4.1Å; M121-M124 HydrophobicContact SD-CG 4.21Å; R122-M124 VanDerWaalsContact C-N 3.34Å; R122-M124 PolarHBondContact O-N 3.48Å; M124-L126 VanDerWaalsContact C-N 3.32Å; M124-L126 PolarHBondContact O-N 3.1Å; M124-L128 WeakPolarHBondContact O-CB 3.39Å; M124-L128 PolarHBondContact O-N 2.91Å |
| 125 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | -179.5 | -59.3 | -168.5 | 0 | 0 | 0 | 112.2 | L18 V19 V22 L48 M121 R122 L128 L129 | L18-L125 HydrophobicContact CB-CB 4.06Å; L18-L125 HydrophobicContact CB-CD1 4.26Å; L18-L125 HydrophobicContact CD1-CB 4.45Å; V19-L125 HydrophobicContact CG2-CD1 3.79Å; V22-L125 HydrophobicContact CG2-CB 4.48Å; V22-L125 HydrophobicContact CG2-CD1 4.22Å; V22-L125 HydrophobicContact CG2-CD2 3.88Å; V22-L125 HydrophobicContact CG2-CG 4.39Å; L48-L125 HydrophobicContact CD1-CD2 3.88Å; L48-L125 HydrophobicContact CD2-CD2 3.7Å; L48-L125 HydrophobicContact CG-CD2 4.47Å; M121-L125 HydrophobicContact CG-CG 4.35Å; M121-L125 WeakPolarHBondContact O-CG 3.32Å; M121-L125 PolarHBondContact O-N 3.25Å; M121-L125 HydrophobicContact SD-CD2 3.95Å; M121-L125 HydrophobicContact SD-CG 4.16Å; R122-L125 PolarHBondContact O-N 2.93Å; L125-L128 PolarHBondContact O-N 3.27Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 PolarHBondContact O-N 3.43Å |
| 126 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 178.3 | 179.5 | 61.5 | 0 | 0 | 0 | 111.9 | L18 M100 R122 K123 M124 L129 G130 H159 E162 V163 | L18-L126 HydrophobicContact CD1-CB 4Å; L18-L126 HydrophobicContact CD1-CD1 4.49Å; L18-L126 HydrophobicContact CD2-CD1 4.39Å; M100-L126 HydrophobicContact CE-CD2 4.43Å; R122-L126 VanDerWaalsContact O-CB 3.24Å; R122-L126 WeakPolarHBondContact O-CB 3.23Å; R122-L126 PolarHBondContact O-N 3.23Å; K123-L126 PolarHBondContact O-N 3.4Å; M124-L126 VanDerWaalsContact C-N 3.32Å; M124-L126 PolarHBondContact O-N 3.1Å; L126-L129 WeakPolarHBondContact O-CB 3.38Å; L126-L129 PolarHBondContact O-N 2.91Å; L126-G130 PolarHBondContact O-N 2.89Å; L126-G130 VanDerWaalsContact O-N 3.08Å; L126-H159 HydrophobicContact CD1-CB 3.62Å; L126-E162 HydrophobicContact CD2-CG 4.27Å; L126-E162 WeakPolarHBondContact CD2-OE1 3.38Å; L126-V163 HydrophobicContact CD1-CG1 3.64Å; L126-V163 HydrophobicContact CD2-CG1 4.02Å; L126-V163 HydrophobicContact CG-CG1 3.45Å; L126-V163 VanDerWaalsContact CG-CG1 3.45Å |
| 127 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 176 | -67.8 | 175.4 | 0 | 0 | 0 | 111.9 | I86 Y90 V98 M100 L102 P103 K123 L129 G130 C131 | I86-L127 HydrophobicContact CG2-CB 3.83Å; I86-L127 HydrophobicContact CG2-CD1 4.45Å; Y90-L127 HydrophobicContact CE2-CB 4.35Å; Y90-L127 HydrophobicContact CE2-CD2 4.2Å; Y90-L127 PolarHBondContact OH-O 3.41Å; V98-L127 HydrophobicContact CG1-CD1 4.36Å; V98-L127 HydrophobicContact CG1-CD2 3.87Å; V98-L127 HydrophobicContact CG2-CD2 4.48Å; M100-L127 HydrophobicContact SD-CD2 3.99Å; L102-L127 HydrophobicContact CD2-CD1 4.12Å; P103-L127 HydrophobicContact CG-CD1 4.12Å; K123-L127 WeakPolarHBondContact O-CG 3.49Å; K123-L127 PolarHBondContact O-N 3.48Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.24Å; L127-G130 PolarHBondContact O-N 2.9Å; L127-C131 PolarHBondContact O-N 3.45Å; L127-C131 PolarHBondContact O-SG 3.28Å; L127-C131 VanDerWaalsContact O-SG 3.41Å |
| 128 | L | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -39.2 | 176 | -172.4 | 64.3 | 0 | 0 | 0 | 111.9 | W21 L48 I51 M52 I55 I86 M124 L125 G130 C131 A132 | W21-L128 HydrophobicContact CH2-CG 4.25Å; L48-L128 HydrophobicContact CB-CD2 4.38Å; L48-L128 HydrophobicContact CD2-CD2 3.88Å; I51-L128 HydrophobicContact CB-CD2 4.41Å; I51-L128 HydrophobicContact CG2-CD1 4.49Å; I51-L128 HydrophobicContact CG2-CD2 4.07Å; I51-L128 HydrophobicContact CG2-CG 4.39Å; M52-L128 HydrophobicContact CB-CD1 4Å; M52-L128 HydrophobicContact CG-CD1 4.39Å; M52-L128 HydrophobicContact SD-CD1 3.66Å; I55-L128 HydrophobicContact CD1-CD1 3.82Å; I55-L128 HydrophobicContact CD1-CG 4.32Å; I86-L128 HydrophobicContact CD1-CB 4.26Å; I86-L128 HydrophobicContact CD1-CD1 4.23Å; I86-L128 HydrophobicContact CG1-CD1 4.38Å; M124-L128 WeakPolarHBondContact O-CB 3.39Å; M124-L128 PolarHBondContact O-N 2.91Å; L125-L128 PolarHBondContact O-N 3.27Å; L128-G130 VanDerWaalsContact C-N 3.34Å; L128-C131 WeakPolarHBondContact O-CB 3.48Å; L128-C131 PolarHBondContact O-N 2.77Å; L128-A132 PolarHBondContact O-N 2.8Å |
| 129 | L | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 171.3 | 173.1 | 67.3 | 0 | 0 | 0 | 111 | L18 W21 L125 L126 L127 C131 A132 V133 I145 I156 H159 I160 | L18-L129 HydrophobicContact CD2-CB 4.41Å; L18-L129 HydrophobicContact CD2-CD2 3.63Å; W21-L129 HydrophobicContact CD2-CB 4.39Å; W21-L129 HydrophobicContact CD2-CD1 3.58Å; W21-L129 VanDerWaalsContact CE2-CD1 3.43Å; W21-L129 HydrophobicContact CE3-CB 3.89Å; W21-L129 HydrophobicContact CE3-CD1 3.98Å; W21-L129 HydrophobicContact CE3-CG 4.45Å; W21-L129 HydrophobicContact CG-CD1 4.05Å; W21-L129 HydrophobicContact CH2-CB 3.92Å; W21-L129 HydrophobicContact CH2-CD1 4.23Å; W21-L129 HydrophobicContact CZ2-CB 4.36Å; W21-L129 HydrophobicContact CZ2-CD1 3.81Å; W21-L129 HydrophobicContact CZ3-CB 3.64Å; W21-L129 HydrophobicContact CZ3-CD1 4.29Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 PolarHBondContact O-N 3.43Å; L126-L129 WeakPolarHBondContact O-CB 3.38Å; L126-L129 PolarHBondContact O-N 2.91Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.24Å; L129-C131 VanDerWaalsContact C-N 3.29Å; L129-C131 PolarHBondContact O-N 3.27Å; L129-A132 PolarHBondContact O-N 2.83Å; L129-A132 VanDerWaalsContact O-N 3.09Å; L129-V133 HydrophobicContact CD1-CG1 3.79Å; L129-V133 HydrophobicContact CG-CG1 4.42Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 3.45Å; L129-I145 HydrophobicContact CD1-CD1 4.09Å; L129-I156 HydrophobicContact CD1-CG2 4.27Å; L129-I156 HydrophobicContact CD2-CG2 4.06Å; L129-H159 HydrophobicContact CD2-CB 3.94Å; L129-I160 HydrophobicContact CD1-CG1 4.47Å; L129-I160 HydrophobicContact CD2-CG1 4.09Å; L129-I160 HydrophobicContact CG-CG1 4.28Å |
| 130 | G | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y90 L126 L127 L128 Q134 | Y90-G130 VanDerWaalsContact OH-CA 3.27Å; Y90-G130 WeakPolarHBondContact OH-CA 3.37Å; L126-G130 PolarHBondContact O-N 2.89Å; L126-G130 VanDerWaalsContact O-N 3.08Å; L127-G130 PolarHBondContact O-N 2.9Å; L128-G130 VanDerWaalsContact C-N 3.34Å; G130-Q134 WeakPolarHBondContact O-CB 3.44Å; G130-Q134 WeakPolarHBondContact O-CG 3.41Å; G130-Q134 PolarHBondContact O-NE2 2.9Å |
| 131 | C | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -48.2 | 168.1 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | M52 I55 Y89 Y90 L127 L128 L129 V133 Q134 C135 | M52-C131 HydrophobicContact SD-CB 4.38Å; I55-C131 HydrophobicContact CG2-CB 4.03Å; Y89-C131 HydrophobicContact CD1-CB 3.78Å; Y89-C131 HydrophobicContact CE1-CB 4.09Å; Y90-C131 WeakPolarHBondContact CE2-SG 3.48Å; L127-C131 PolarHBondContact O-N 3.45Å; L127-C131 PolarHBondContact O-SG 3.28Å; L127-C131 VanDerWaalsContact O-SG 3.41Å; L128-C131 WeakPolarHBondContact O-CB 3.48Å; L128-C131 PolarHBondContact O-N 2.77Å; L129-C131 VanDerWaalsContact C-N 3.29Å; L129-C131 PolarHBondContact O-N 3.27Å; C131-V133 PolarHBondContact O-N 3Å; C131-Q134 PolarHBondContact O-N 3.21Å; C131-C135 WeakPolarHBondContact O-CB 3.44Å; C131-C135 PolarHBondContact O-N 3.13Å; C131-C135 VanDerWaalsContact O-N 3.11Å |
| 132 | A | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W21 I55 L128 L129 Q134 C135 Y141 | W21-A132 HydrophobicContact CH2-CB 4Å; W21-A132 HydrophobicContact CZ2-CB 3.54Å; I55-A132 HydrophobicContact CD1-CB 3.66Å; I55-A132 HydrophobicContact CG1-CB 4.15Å; L128-A132 PolarHBondContact O-N 2.8Å; L129-A132 PolarHBondContact O-N 2.83Å; L129-A132 VanDerWaalsContact O-N 3.09Å; A132-Q134 VanDerWaalsContact C-N 3.28Å; A132-Q134 PolarHBondContact O-N 3.43Å; A132-C135 PolarHBondContact O-SG 3.24Å; A132-Y141 HydrophobicContact CB-CD1 4.04Å; A132-Y141 HydrophobicContact CB-CD2 4.24Å; A132-Y141 HydrophobicContact CB-CE1 4.37Å; A132-Y141 HydrophobicContact CB-CG 3.98Å; A132-Y141 WeakPolarHBondContact O-CD2 3.46Å |
| 133 | V | 96 | Very high | 95.6 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 9% | 0.085 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -80.4 | -9.5 | -177.8 | -57.5 | 0 | 0 | 0 | 0 | 113.7 | L129 C131 K138 I142 I145 I160 | L129-V133 HydrophobicContact CD1-CG1 3.79Å; L129-V133 HydrophobicContact CG-CG1 4.42Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 3.45Å; C131-V133 PolarHBondContact O-N 3Å; V133-K138 VanDerWaalsContact O-CB 3.27Å; V133-K138 WeakPolarHBondContact O-CB 3.26Å; V133-I142 HydrophobicContact CB-CD1 4.2Å; V133-I142 HydrophobicContact CG1-CD1 3.94Å; V133-I145 HydrophobicContact CG1-CD1 4.06Å; V133-I160 HydrophobicContact CB-CD1 4.48Å; V133-I160 HydrophobicContact CG1-CD1 3.84Å; V133-I160 HydrophobicContact CG1-CG1 4.08Å; V133-I160 HydrophobicContact CG2-CG1 4.21Å; V133-I160 HydrophobicContact CG2-CG2 4.05Å |
| 134 | Q | 95.8 | Very high | 95.3 | Very high | 45 Ų | 45 | 41.1 Ų | 41.1 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 5.2 | 176.7 | -63.7 | -176.7 | 93.9 | 0 | 0 | 112.9 | L94 G130 C131 A132 T164 | L94-Q134 HydrophobicContact CD1-CB 3.87Å; L94-Q134 HydrophobicContact CD2-CB 3.79Å; G130-Q134 WeakPolarHBondContact O-CB 3.44Å; G130-Q134 WeakPolarHBondContact O-CG 3.41Å; G130-Q134 PolarHBondContact O-NE2 2.9Å; C131-Q134 PolarHBondContact O-N 3.21Å; A132-Q134 VanDerWaalsContact C-N 3.28Å; A132-Q134 PolarHBondContact O-N 3.43Å; Q134-T164 HydrophobicContact CG-CG2 4.09Å |
| 135 | C | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -83.4 | 172 | -178.7 | 79.7 | 0 | 0 | 0 | 0 | 114.9 | I55 Y89 C131 A132 K137 K138 Y141 | I55-C135 HydrophobicContact CG2-CB 3.72Å; Y89-C135 WeakPolarHBondContact OH-CA 3.42Å; Y89-C135 VanDerWaalsContact OH-CB 3.29Å; Y89-C135 WeakPolarHBondContact OH-CB 3.5Å; C131-C135 WeakPolarHBondContact O-CB 3.44Å; C131-C135 PolarHBondContact O-N 3.13Å; C131-C135 VanDerWaalsContact O-N 3.11Å; A132-C135 PolarHBondContact O-SG 3.24Å; C135-K137 PolarHBondContact O-N 2.76Å; C135-K137 VanDerWaalsContact O-N 3.17Å; C135-K137 PolarHBondContact SG-N 3.4Å; C135-K137 VanDerWaalsContact SG-N 3.44Å; C135-K138 VanDerWaalsContact O-CB 3.3Å; C135-K138 WeakPolarHBondContact O-CB 3.5Å; C135-K138 WeakPolarHBondContact O-CG 3.42Å; C135-K138 PolarHBondContact O-N 3.14Å; C135-K138 VanDerWaalsContact O-N 3.07Å; C135-Y141 VanDerWaalsContact SG-CE2 3.5Å |
| 136 | E | 93.3 | Very high | 95 | Very high | 148 Ų | 148 | 47.8 Ų | 47.8 | 69% | 0.692 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.8 | 178.2 | -67.4 | -177.6 | -176.3 | 0 | 0 | 112.8 | K58 | K58-E136 IonicContact NZ-OE1 2.6Å; K58-E136 PolarHBondContact NZ-OE1 2.89Å; K58-E136 IonicContact NZ-OE2 3.93Å; K58-E136 PolarHBondContact NZ-OE2 2.89Å |
| 137 | K | 92.8 | Very high | 94.7 | Very high | 102 Ų | 102 | 53 Ų | 53 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 24.9 | 177.3 | -62.1 | -176 | 176.4 | -173.8 | 0 | 113 | C135 E139 E140 Y141 | C135-K137 PolarHBondContact O-N 2.76Å; C135-K137 VanDerWaalsContact O-N 3.17Å; C135-K137 PolarHBondContact SG-N 3.4Å; C135-K137 VanDerWaalsContact SG-N 3.44Å; K137-E139 PolarHBondContact O-N 3.11Å; K137-E139 VanDerWaalsContact O-N 3.1Å; K137-E140 HydrophobicContact CB-CG 4.42Å; K137-E140 PolarHBondContact O-N 2.96Å; K137-Y141 HydrophobicContact CB-CE2 4.29Å; K137-Y141 WeakPolarHBondContact O-CD2 3.37Å |
| 138 | K | 94.5 | Very high | 94.5 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.4 | -35 | -175.8 | 61.8 | -173 | 179.1 | -174.2 | 0 | 113 | V133 C135 E140 Y141 I142 | V133-K138 VanDerWaalsContact O-CB 3.27Å; V133-K138 WeakPolarHBondContact O-CB 3.26Å; C135-K138 VanDerWaalsContact O-CB 3.3Å; C135-K138 WeakPolarHBondContact O-CB 3.5Å; C135-K138 WeakPolarHBondContact O-CG 3.42Å; C135-K138 PolarHBondContact O-N 3.14Å; C135-K138 VanDerWaalsContact O-N 3.07Å; K138-E140 VanDerWaalsContact C-N 3.28Å; K138-E140 PolarHBondContact O-N 3.38Å; K138-Y141 PolarHBondContact O-N 2.89Å; K138-Y141 VanDerWaalsContact O-N 3.08Å; K138-I142 VanDerWaalsContact O-CG1 3.28Å; K138-I142 WeakPolarHBondContact O-CG1 3.41Å; K138-I142 PolarHBondContact O-N 3.31Å |
| 139 | E | 95 | Very high | 94.4 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 179.4 | -65.4 | 73.2 | -159.3 | 0 | 0 | 111.3 | K137 Y141 I142 E143 | K137-E139 PolarHBondContact O-N 3.11Å; K137-E139 VanDerWaalsContact O-N 3.1Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.17Å; E139-I142 PolarHBondContact O-N 2.76Å; E139-E143 WeakPolarHBondContact O-CB 3.5Å; E139-E143 WeakPolarHBondContact O-CG 3.29Å; E139-E143 PolarHBondContact O-N 3.49Å |
| 140 | E | 93.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 178.2 | -57 | -176.2 | -169.9 | 0 | 0 | 112.4 | K137 K138 R144 | K137-E140 HydrophobicContact CB-CG 4.42Å; K137-E140 PolarHBondContact O-N 2.96Å; K138-E140 VanDerWaalsContact C-N 3.28Å; K138-E140 PolarHBondContact O-N 3.38Å; E140-R144 WeakPolarHBondContact O-CG 3.33Å; E140-R144 PolarHBondContact O-N 3.17Å; E140-R144 PolarHBondContact O-NH1 3Å; E140-R144 IonicContact OE2-NH1 3.77Å |
| 141 | Y | 94.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.6 | -37.5 | 177 | -64.7 | -77.6 | 0 | 0 | 0 | 111.4 | V25 I55 A132 C135 K137 K138 E139 R144 I145 | V25-Y141 HydrophobicContact CG1-CD1 3.88Å; V25-Y141 HydrophobicContact CG1-CE1 3.48Å; V25-Y141 VanDerWaalsContact CG1-CE1 3.48Å; V25-Y141 HydrophobicContact CG2-CD1 3.96Å; V25-Y141 HydrophobicContact CG2-CE1 4.42Å; I55-Y141 HydrophobicContact CG1-CE1 4.33Å; I55-Y141 HydrophobicContact CG1-CE2 4.19Å; I55-Y141 WeakPolarHBondContact CG1-OH 3.43Å; A132-Y141 HydrophobicContact CB-CD1 4.04Å; A132-Y141 HydrophobicContact CB-CD2 4.24Å; A132-Y141 HydrophobicContact CB-CE1 4.37Å; A132-Y141 HydrophobicContact CB-CG 3.98Å; A132-Y141 WeakPolarHBondContact O-CD2 3.46Å; C135-Y141 VanDerWaalsContact SG-CE2 3.5Å; K137-Y141 HydrophobicContact CB-CE2 4.29Å; K137-Y141 WeakPolarHBondContact O-CD2 3.37Å; K138-Y141 PolarHBondContact O-N 2.89Å; K138-Y141 VanDerWaalsContact O-N 3.08Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 PolarHBondContact O-N 3.17Å; Y141-R144 PolarHBondContact O-N 3.39Å; Y141-I145 VanDerWaalsContact O-CG1 3.31Å; Y141-I145 WeakPolarHBondContact O-CG1 3.34Å; Y141-I145 PolarHBondContact O-N 3.39Å |
| 142 | I | 94.4 | Very high | 94 | Very high | 58 Ų | 58 | 72.6 Ų | 72.6 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.6 | -64.9 | -62.3 | 0 | 0 | 0 | 110.7 | V133 K138 E139 R144 I145 Q146 I160 | V133-I142 HydrophobicContact CB-CD1 4.2Å; V133-I142 HydrophobicContact CG1-CD1 3.94Å; K138-I142 VanDerWaalsContact O-CG1 3.28Å; K138-I142 WeakPolarHBondContact O-CG1 3.41Å; K138-I142 PolarHBondContact O-N 3.31Å; E139-I142 PolarHBondContact O-N 2.76Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 2.94Å; I142-I145 HydrophobicContact CD1-CD1 4.31Å; I142-I145 PolarHBondContact O-N 3.41Å; I142-Q146 WeakPolarHBondContact O-CG 3.42Å; I142-Q146 PolarHBondContact O-N 3.35Å; I142-I160 HydrophobicContact CD1-CD1 4.43Å |
| 143 | E | 94 | Very high | 93.9 | Very high | 129 Ų | 129 | 75.9 Ų | 75.9 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.6 | -43 | 174.2 | -78 | -179.8 | -176.2 | 0 | 0 | 111.6 | E139 I145 Q146 T147 | E139-E143 WeakPolarHBondContact O-CB 3.5Å; E139-E143 WeakPolarHBondContact O-CG 3.29Å; E139-E143 PolarHBondContact O-N 3.49Å; E143-I145 PolarHBondContact O-N 3Å; E143-Q146 CarbonylContact O-C 3.58Å; E143-Q146 WeakPolarHBondContact O-CA 3.46Å; E143-Q146 WeakPolarHBondContact O-CB 3.31Å; E143-Q146 PolarHBondContact O-N 2.87Å; E143-Q146 VanDerWaalsContact O-N 3.09Å; E143-T147 WeakPolarHBondContact O-CG2 3.49Å; E143-T147 PolarHBondContact O-N 3.18Å |
| 144 | R | 91.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 77.5 Ų | 77.5 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 173.8 | -73.5 | 178.7 | -177 | 93.1 | -10.4 | 112.2 | E140 Y141 I142 Q146 T147 | E140-R144 WeakPolarHBondContact O-CG 3.33Å; E140-R144 PolarHBondContact O-N 3.17Å; E140-R144 PolarHBondContact O-NH1 3Å; E140-R144 IonicContact OE2-NH1 3.77Å; Y141-R144 PolarHBondContact O-N 3.39Å; I142-R144 VanDerWaalsContact C-N 3.33Å; I142-R144 PolarHBondContact O-N 2.94Å; R144-Q146 PolarHBondContact O-N 3.45Å; R144-T147 WeakPolarHBondContact O-CB 3.46Å; R144-T147 PolarHBondContact O-N 2.97Å; R144-T147 PolarHBondContact O-OG1 3.44Å |
| 145 | I | 93.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 76.8 Ų | 76.8 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 173.4 | -67.6 | 161.4 | 0 | 0 | 0 | 110.6 | W21 L129 V133 Y141 I142 E143 T147 L148 K153 I156 I160 | W21-I145 VanDerWaalsContact CD1-CG1 3.42Å; W21-I145 HydrophobicContact CG-CG1 4.5Å; L129-I145 HydrophobicContact CD1-CD1 4.09Å; V133-I145 HydrophobicContact CG1-CD1 4.06Å; Y141-I145 VanDerWaalsContact O-CG1 3.31Å; Y141-I145 WeakPolarHBondContact O-CG1 3.34Å; Y141-I145 PolarHBondContact O-N 3.39Å; I142-I145 HydrophobicContact CD1-CD1 4.31Å; I142-I145 PolarHBondContact O-N 3.41Å; E143-I145 PolarHBondContact O-N 3Å; I145-T147 PolarHBondContact O-N 3.38Å; I145-L148 WeakPolarHBondContact O-CB 3.49Å; I145-L148 PolarHBondContact O-N 2.98Å; I145-L148 VanDerWaalsContact O-N 3.12Å; I145-K153 WeakPolarHBondContact O-CE 3.37Å; I145-K153 VanDerWaalsContact O-CG 3.32Å; I145-K153 WeakPolarHBondContact O-CG 3.46Å; I145-I156 HydrophobicContact CD1-CG2 3.92Å; I145-I156 HydrophobicContact CG1-CG2 4.19Å; I145-I156 HydrophobicContact CG2-CB 4.38Å; I145-I156 HydrophobicContact CG2-CD1 4.3Å; I145-I156 HydrophobicContact CG2-CG2 3.89Å; I145-I160 HydrophobicContact CD1-CD1 4.31Å |
| 146 | Q | 93.1 | Very high | 94 | Very high | 126 Ų | 126 | 76.6 Ų | 76.6 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.1 | -12 | 176.2 | -72 | 179.8 | 10.1 | 0 | 0 | 114.2 | I142 E143 R144 K153 | I142-Q146 WeakPolarHBondContact O-CG 3.42Å; I142-Q146 PolarHBondContact O-N 3.35Å; E143-Q146 CarbonylContact O-C 3.58Å; E143-Q146 WeakPolarHBondContact O-CA 3.46Å; E143-Q146 WeakPolarHBondContact O-CB 3.31Å; E143-Q146 PolarHBondContact O-N 2.87Å; E143-Q146 VanDerWaalsContact O-N 3.09Å; R144-Q146 PolarHBondContact O-N 3.45Å; Q146-K153 VanDerWaalsContact CA-CE 3.42Å; Q146-K153 WeakPolarHBondContact O-CE 3.48Å; Q146-K153 PolarHBondContact O-NZ 3.05Å |
| 147 | T | 92.7 | Very high | 94.2 | Very high | 110 Ų | 110 | 71.8 Ų | 71.8 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -85.1 | -15.2 | 172.3 | 70.9 | 0 | 0 | 0 | 0 | 113.9 | E143 R144 I145 | E143-T147 WeakPolarHBondContact O-CG2 3.49Å; E143-T147 PolarHBondContact O-N 3.18Å; R144-T147 WeakPolarHBondContact O-CB 3.46Å; R144-T147 PolarHBondContact O-N 2.97Å; R144-T147 PolarHBondContact O-OG1 3.44Å; I145-T147 PolarHBondContact O-N 3.38Å |
| 148 | L | 93.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 70.2 Ų | 70.2 | 14% | 0.141 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -71.8 | 168.3 | -179.2 | -60 | 172.2 | 0 | 0 | 0 | 112.3 | I145 T152 K153 I156 | I145-L148 WeakPolarHBondContact O-CB 3.49Å; I145-L148 PolarHBondContact O-N 2.98Å; I145-L148 VanDerWaalsContact O-N 3.12Å; L148-T152 HydrophobicContact CB-CG2 4.12Å; L148-T152 HydrophobicContact CD1-CG2 3.88Å; L148-T152 HydrophobicContact CG-CG2 4.47Å; L148-K153 HydrophobicContact CB-CG 4.23Å; L148-K153 WeakPolarHBondContact O-CD 3.45Å; L148-K153 WeakPolarHBondContact O-CE 3.47Å; L148-K153 PolarHBondContact O-NZ 2.94Å; L148-I156 HydrophobicContact CD1-CD1 3.31Å |
| 149 | D | 93.3 | Very high | 94.5 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | trans | -67 | 162 | 174.5 | 66.5 | -81.3 | 0 | 0 | 0 | 112 | D151 T152 K153 | D149-D151 PolarHBondContact O-N 3.04Å; D149-D151 PolarHBondContact OD2-N 2.89Å; D149-T152 PolarHBondContact O-N 3.11Å; D149-T152 WeakPolarHBondContact OD1-CB 3.4Å; D149-T152 PolarHBondContact OD1-OG1 3.49Å; D149-T152 WeakPolarHBondContact OD2-CB 3.36Å; D149-T152 PolarHBondContact OD2-N 3.5Å; D149-T152 PolarHBondContact OD2-OG1 3.3Å; D149-T152 VanDerWaalsContact OD2-OG1 3.08Å; D149-K153 WeakPolarHBondContact O-CB 3.34Å; D149-K153 WeakPolarHBondContact O-CD 3.23Å; D149-K153 VanDerWaalsContact O-CG 3.28Å; D149-K153 WeakPolarHBondContact O-CG 3.4Å; D149-K153 PolarHBondContact O-N 2.77Å | ||
| 150 | F | 94.2 | Very high | 94.6 | Very high | 163 Ų | 163 | 63.8 Ų | 63.8 | 72% | 0.715 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | -172.4 | 179.6 | -94.7 | 0 | 0 | 0 | 113.1 | K153 A154 | F150-K153 WeakPolarHBondContact O-CB 3.31Å; F150-K153 PolarHBondContact O-N 3.47Å; F150-A154 PolarHBondContact O-N 3.4Å |
| 151 | D | 94.1 | Very high | 94.7 | Very high | 120 Ų | 120 | 65.5 Ų | 65.5 | 64% | 0.642 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.2 | -42.1 | -176.9 | -63.7 | -34.3 | 0 | 0 | 0 | 110.5 | D149 K153 A154 A155 | D149-D151 PolarHBondContact O-N 3.04Å; D149-D151 PolarHBondContact OD2-N 2.89Å; D151-K153 PolarHBondContact O-N 2.89Å; D151-A154 PolarHBondContact O-N 3.47Å; D151-A155 PolarHBondContact O-N 3.33Å |
| 152 | T | 94.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.6 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | P17 C20 L148 D149 A155 I156 | P17-T152 HydrophobicContact CB-CG2 4.11Å; C20-T152 HydrophobicContact CB-CG2 4.01Å; L148-T152 HydrophobicContact CB-CG2 4.12Å; L148-T152 HydrophobicContact CD1-CG2 3.88Å; L148-T152 HydrophobicContact CG-CG2 4.47Å; D149-T152 PolarHBondContact O-N 3.11Å; D149-T152 WeakPolarHBondContact OD1-CB 3.4Å; D149-T152 PolarHBondContact OD1-OG1 3.49Å; D149-T152 WeakPolarHBondContact OD2-CB 3.36Å; D149-T152 PolarHBondContact OD2-N 3.5Å; D149-T152 PolarHBondContact OD2-OG1 3.3Å; D149-T152 VanDerWaalsContact OD2-OG1 3.08Å; T152-A155 PolarHBondContact O-N 3.42Å; T152-I156 HydrophobicContact CG2-CD1 3.67Å; T152-I156 HydrophobicContact CG2-CG1 4.38Å; T152-I156 WeakPolarHBondContact O-CB 3.36Å; T152-I156 VanDerWaalsContact O-CG1 3.25Å; T152-I156 WeakPolarHBondContact O-CG1 3.28Å; T152-I156 PolarHBondContact O-N 3.47Å |
| 153 | K | 94 | Very high | 94.8 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 30% | 0.3 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 174.4 | -78.9 | 161.1 | 166.2 | 153.4 | 0 | 112.3 | I145 Q146 L148 D149 F150 D151 A155 I156 A157 | I145-K153 WeakPolarHBondContact O-CE 3.37Å; I145-K153 VanDerWaalsContact O-CG 3.32Å; I145-K153 WeakPolarHBondContact O-CG 3.46Å; Q146-K153 VanDerWaalsContact CA-CE 3.42Å; Q146-K153 WeakPolarHBondContact O-CE 3.48Å; Q146-K153 PolarHBondContact O-NZ 3.05Å; L148-K153 HydrophobicContact CB-CG 4.23Å; L148-K153 WeakPolarHBondContact O-CD 3.45Å; L148-K153 WeakPolarHBondContact O-CE 3.47Å; L148-K153 PolarHBondContact O-NZ 2.94Å; D149-K153 WeakPolarHBondContact O-CB 3.34Å; D149-K153 WeakPolarHBondContact O-CD 3.23Å; D149-K153 VanDerWaalsContact O-CG 3.28Å; D149-K153 WeakPolarHBondContact O-CG 3.4Å; D149-K153 PolarHBondContact O-N 2.77Å; F150-K153 WeakPolarHBondContact O-CB 3.31Å; F150-K153 PolarHBondContact O-N 3.47Å; D151-K153 PolarHBondContact O-N 2.89Å; K153-A155 VanDerWaalsContact C-N 3.32Å; K153-A155 PolarHBondContact O-N 2.8Å; K153-I156 PolarHBondContact O-N 2.9Å; K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 3.11Å |
| 154 | A | 95.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F150 D151 A157 S158 | F150-A154 PolarHBondContact O-N 3.4Å; D151-A154 PolarHBondContact O-N 3.47Å; A154-A157 WeakPolarHBondContact O-CB 3.42Å; A154-A157 PolarHBondContact O-N 2.99Å; A154-S158 PolarHBondContact O-N 3.29Å; A154-S158 VanDerWaalsContact O-N 3.11Å; A154-S158 PolarHBondContact O-OG 3.41Å |
| 155 | A | 96.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P17 D151 T152 K153 A157 S158 H159 | P17-A155 HydrophobicContact CB-CB 3.89Å; P17-A155 HydrophobicContact CG-CB 3.47Å; P17-A155 VanDerWaalsContact CG-CB 3.47Å; D151-A155 PolarHBondContact O-N 3.33Å; T152-A155 PolarHBondContact O-N 3.42Å; K153-A155 VanDerWaalsContact C-N 3.32Å; K153-A155 PolarHBondContact O-N 2.8Å; A155-A157 VanDerWaalsContact C-N 3.31Å; A155-A157 PolarHBondContact O-N 3.03Å; A155-S158 WeakPolarHBondContact O-CB 3.32Å; A155-S158 PolarHBondContact O-N 3.15Å; A155-H159 PolarHBondContact O-CD2 2.83Å; A155-H159 VanDerWaalsContact O-CD2 3.29Å; A155-H159 PolarHBondContact O-N 3.47Å |
| 156 | I | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 172.8 | -70.3 | 164.1 | 0 | 0 | 0 | 110.6 | P17 W21 L129 I145 L148 T152 K153 S158 H159 I160 | P17-I156 HydrophobicContact CB-CG1 3.91Å; W21-I156 HydrophobicContact CB-CD1 3.8Å; W21-I156 HydrophobicContact CB-CG1 4.44Å; L129-I156 HydrophobicContact CD1-CG2 4.27Å; L129-I156 HydrophobicContact CD2-CG2 4.06Å; I145-I156 HydrophobicContact CD1-CG2 3.92Å; I145-I156 HydrophobicContact CG1-CG2 4.19Å; I145-I156 HydrophobicContact CG2-CB 4.38Å; I145-I156 HydrophobicContact CG2-CD1 4.3Å; I145-I156 HydrophobicContact CG2-CG2 3.89Å; L148-I156 HydrophobicContact CD1-CD1 3.31Å; T152-I156 HydrophobicContact CG2-CD1 3.67Å; T152-I156 HydrophobicContact CG2-CG1 4.38Å; T152-I156 WeakPolarHBondContact O-CB 3.36Å; T152-I156 VanDerWaalsContact O-CG1 3.25Å; T152-I156 WeakPolarHBondContact O-CG1 3.28Å; T152-I156 PolarHBondContact O-N 3.47Å; K153-I156 PolarHBondContact O-N 2.9Å; I156-S158 VanDerWaalsContact C-N 3.29Å; I156-S158 PolarHBondContact O-N 3.43Å; I156-H159 CarbonylContact O-C 3.28Å; I156-H159 PolarHBondContact O-N 3.49Å; I156-H159 VanDerWaalsContact O-N 3.1Å; I156-I160 HydrophobicContact CG2-CD1 3.99Å; I156-I160 HydrophobicContact CG2-CG1 4.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.37Å; I156-I160 PolarHBondContact O-N 2.86Å |
| 157 | A | 96.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K153 A154 A155 I160 Q161 | K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 3.11Å; A154-A157 WeakPolarHBondContact O-CB 3.42Å; A154-A157 PolarHBondContact O-N 2.99Å; A155-A157 VanDerWaalsContact C-N 3.31Å; A155-A157 PolarHBondContact O-N 3.03Å; A157-I160 PolarHBondContact O-N 3.28Å; A157-Q161 WeakPolarHBondContact O-CG 3.07Å; A157-Q161 PolarHBondContact O-N 3.32Å |
| 158 | S | 97.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 171.6 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | A154 A155 I156 Q161 E162 | A154-S158 PolarHBondContact O-N 3.29Å; A154-S158 VanDerWaalsContact O-N 3.11Å; A154-S158 PolarHBondContact O-OG 3.41Å; A155-S158 WeakPolarHBondContact O-CB 3.32Å; A155-S158 PolarHBondContact O-N 3.15Å; I156-S158 VanDerWaalsContact C-N 3.29Å; I156-S158 PolarHBondContact O-N 3.43Å; S158-Q161 WeakPolarHBondContact O-CB 3.44Å; S158-Q161 PolarHBondContact O-N 3.05Å; S158-E162 WeakPolarHBondContact O-CB 3.33Å; S158-E162 PolarHBondContact O-N 3.4Å |
| 159 | H | 97.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 13% | 0.13 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66 | -35.4 | 175 | -70.1 | -39.7 | 0 | 0 | 0 | 113.2 | L18 R122 L126 L129 A155 I156 E162 V163 | L18-H159 HydrophobicContact CD2-CB 4.14Å; R122-H159 PolarHBondContact NH2-CE1 3.46Å; L126-H159 HydrophobicContact CD1-CB 3.62Å; L129-H159 HydrophobicContact CD2-CB 3.94Å; A155-H159 PolarHBondContact O-CD2 2.83Å; A155-H159 VanDerWaalsContact O-CD2 3.29Å; A155-H159 PolarHBondContact O-N 3.47Å; I156-H159 CarbonylContact O-C 3.28Å; I156-H159 PolarHBondContact O-N 3.49Å; I156-H159 VanDerWaalsContact O-N 3.1Å; H159-E162 IonicContact CE1-OE2 2.75Å; H159-E162 IonicContact ND1-OE2 3.23Å; H159-E162 PolarHBondContact ND1-OE2 3.17Å; H159-E162 WeakPolarHBondContact O-CB 3.31Å; H159-E162 PolarHBondContact O-N 3.07Å; H159-V163 WeakPolarHBondContact O-CG2 3.32Å; H159-V163 PolarHBondContact O-N 3.39Å |
| 160 | I | 97.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 172.1 | -67.5 | 169.1 | 0 | 0 | 0 | 109.3 | L129 V133 I142 I145 I156 A157 E162 V163 T164 | L129-I160 HydrophobicContact CD1-CG1 4.47Å; L129-I160 HydrophobicContact CD2-CG1 4.09Å; L129-I160 HydrophobicContact CG-CG1 4.28Å; V133-I160 HydrophobicContact CB-CD1 4.48Å; V133-I160 HydrophobicContact CG1-CD1 3.84Å; V133-I160 HydrophobicContact CG1-CG1 4.08Å; V133-I160 HydrophobicContact CG2-CG1 4.21Å; V133-I160 HydrophobicContact CG2-CG2 4.05Å; I142-I160 HydrophobicContact CD1-CD1 4.43Å; I145-I160 HydrophobicContact CD1-CD1 4.31Å; I156-I160 HydrophobicContact CG2-CD1 3.99Å; I156-I160 HydrophobicContact CG2-CG1 4.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.37Å; I156-I160 PolarHBondContact O-N 2.86Å; A157-I160 PolarHBondContact O-N 3.28Å; I160-E162 VanDerWaalsContact C-N 3.28Å; I160-E162 PolarHBondContact O-N 2.95Å; I160-V163 PolarHBondContact O-N 3.4Å; I160-T164 HydrophobicContact CG2-CG2 4.19Å; I160-T164 WeakPolarHBondContact O-CB 3.24Å; I160-T164 WeakPolarHBondContact O-CG2 3.34Å; I160-T164 PolarHBondContact O-N 3.5Å; I160-T164 PolarHBondContact O-OG1 2.92Å |
| 161 | Q | 95.6 | Very high | 93.7 | Very high | 119 Ų | 119 | 58.4 Ų | 58.4 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59 | -40.6 | 176.2 | -72 | 176 | -9.1 | 0 | 0 | 111.9 | A157 S158 V163 T164 H165 N166 | A157-Q161 WeakPolarHBondContact O-CG 3.07Å; A157-Q161 PolarHBondContact O-N 3.32Å; S158-Q161 WeakPolarHBondContact O-CB 3.44Å; S158-Q161 PolarHBondContact O-N 3.05Å; Q161-V163 PolarHBondContact O-N 3.37Å; Q161-T164 PolarHBondContact O-N 3.42Å; Q161-H165 PolarHBondContact O-N 2.84Å; Q161-N166 PolarHBondContact O-N 2.94Å |
| 162 | E | 95.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58 | -31 | 177.7 | -174.7 | -179.2 | 177.7 | 0 | 0 | 113.2 | R122 L126 S158 H159 I160 N166 N169 | R122-E162 IonicContact NH2-OE1 3.88Å; R122-E162 PolarHBondContact NH2-OE1 3.33Å; R122-E162 IonicContact NH2-OE2 2.83Å; R122-E162 PolarHBondContact NH2-OE2 2.98Å; L126-E162 HydrophobicContact CD2-CG 4.27Å; L126-E162 WeakPolarHBondContact CD2-OE1 3.38Å; S158-E162 WeakPolarHBondContact O-CB 3.33Å; S158-E162 PolarHBondContact O-N 3.4Å; H159-E162 IonicContact CE1-OE2 2.75Å; H159-E162 IonicContact ND1-OE2 3.23Å; H159-E162 PolarHBondContact ND1-OE2 3.17Å; H159-E162 WeakPolarHBondContact O-CB 3.31Å; H159-E162 PolarHBondContact O-N 3.07Å; I160-E162 VanDerWaalsContact C-N 3.28Å; I160-E162 PolarHBondContact O-N 2.95Å; E162-N166 WeakPolarHBondContact O-CB 3.37Å; E162-N169 VanDerWaalsContact CG-ND2 3.26Å; E162-N169 WeakPolarHBondContact CG-ND2 3.43Å; E162-N169 WeakPolarHBondContact O-CB 3.48Å; E162-N169 PolarHBondContact O-ND2 3.36Å |
| 163 | V | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -110.7 | 4.7 | -179.1 | -61.5 | 0 | 0 | 0 | 0 | 115.2 | L126 H159 I160 Q161 V170 | L126-V163 HydrophobicContact CD1-CG1 3.64Å; L126-V163 HydrophobicContact CD2-CG1 4.02Å; L126-V163 HydrophobicContact CG-CG1 3.45Å; L126-V163 VanDerWaalsContact CG-CG1 3.45Å; H159-V163 WeakPolarHBondContact O-CG2 3.32Å; H159-V163 PolarHBondContact O-N 3.39Å; I160-V163 PolarHBondContact O-N 3.4Å; Q161-V163 PolarHBondContact O-N 3.37Å; V163-V170 HydrophobicContact CB-CG2 4.46Å; V163-V170 WeakPolarHBondContact O-CG2 3.4Å |
| 164 | T | 91.4 | Very high | 92.1 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -127.1 | -32.5 | 179.6 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | Q134 I160 Q161 | Q134-T164 HydrophobicContact CG-CG2 4.09Å; I160-T164 HydrophobicContact CG2-CG2 4.19Å; I160-T164 WeakPolarHBondContact O-CB 3.24Å; I160-T164 WeakPolarHBondContact O-CG2 3.34Å; I160-T164 PolarHBondContact O-N 3.5Å; I160-T164 PolarHBondContact O-OG1 2.92Å; Q161-T164 PolarHBondContact O-N 3.42Å |
| 165 | H | 87.5 | Confident | 90.7 | Very high | 151 Ų | 151 | 62.8 Ų | 62.8 | 70% | 0.699 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -19.4 | -175.1 | -65.5 | 73.5 | 0 | 0 | 0 | 113.1 | Q161 Q167 | Q161-H165 PolarHBondContact O-N 2.84Å; H165-Q167 PolarHBondContact O-N 3.21Å |
| 166 | N | 90.7 | Very high | 89.1 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | trans | -83.1 | 105.7 | 177.7 | -173.1 | 4.6 | 0 | 0 | 0 | 111.6 | Q161 E162 E168 N169 V170 | Q161-N166 PolarHBondContact O-N 2.94Å; E162-N166 WeakPolarHBondContact O-CB 3.37Å; N166-E168 PolarHBondContact O-N 3.01Å; N166-E168 WeakPolarHBondContact OD1-CB 3.46Å; N166-E168 PolarHBondContact OD1-N 3.24Å; N166-E168 VanDerWaalsContact OD1-N 3.12Å; N166-N169 PolarHBondContact ND2-ND2 3.08Å; N166-N169 PolarHBondContact O-N 3.19Å; N166-V170 PolarHBondContact O-N 2.99Å | ||
| 167 | Q | 88.3 | Confident | 87.3 | Confident | 146 Ų | 146 | 68.9 Ų | 68.9 | 68% | 0.682 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19.9 | -179.6 | -64.4 | -179.6 | 1 | 0 | 0 | 113.8 | H165 N169 V170 V171 | H165-Q167 PolarHBondContact O-N 3.21Å; Q167-N169 VanDerWaalsContact C-N 3.25Å; Q167-N169 PolarHBondContact O-N 3.47Å; Q167-V170 WeakPolarHBondContact CA-O 3.36Å; Q167-V171 WeakPolarHBondContact O-CG2 3.39Å |
| 168 | E | 89.6 | Confident | 85.2 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 72% | 0.724 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -26.6 | 173.6 | -63.2 | -174 | 165.7 | 0 | 0 | 112.1 | M99 N166 | M99-E168 VanDerWaalsContact CB-O 3.27Å; M99-E168 WeakPolarHBondContact CB-O 3.39Å; N166-E168 PolarHBondContact O-N 3.01Å; N166-E168 WeakPolarHBondContact OD1-CB 3.46Å; N166-E168 PolarHBondContact OD1-N 3.24Å; N166-E168 VanDerWaalsContact OD1-N 3.12Å |
| 169 | N | 91.6 | Very high | 83 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -44.7 | -177.6 | -70.6 | -21.3 | 0 | 0 | 0 | 112.4 | V98 M99 M100 E162 N166 Q167 | V98-N169 CarbonylContact C-O 3.57Å; M99-N169 PolarHBondContact N-O 2.91Å; M100-N169 HydrophobicContact CB-CB 4.37Å; M100-N169 HydrophobicContact CG-CB 4.44Å; M100-N169 PolarHBondContact N-O 2.9Å; M100-N169 VanDerWaalsContact N-O 3.15Å; M100-N169 HydrophobicContact SD-CB 4.15Å; E162-N169 VanDerWaalsContact CG-ND2 3.26Å; E162-N169 WeakPolarHBondContact CG-ND2 3.43Å; E162-N169 WeakPolarHBondContact O-CB 3.48Å; E162-N169 PolarHBondContact O-ND2 3.36Å; N166-N169 PolarHBondContact ND2-ND2 3.08Å; N166-N169 PolarHBondContact O-N 3.19Å; Q167-N169 VanDerWaalsContact C-N 3.25Å; Q167-N169 PolarHBondContact O-N 3.47Å |
| 170 | V | 93.3 | Very high | 80.6 | Confident | 6 Ų | 6 | 79.9 Ų | 79.9 | 4% | 0.036 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 126 | -178.3 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | Y90 Q96 L97 V163 N166 Q167 | Y90-V170 HydrophobicContact CD1-CG1 4.26Å; Y90-V170 HydrophobicContact CE1-CG1 4.17Å; Y90-V170 HydrophobicContact CE1-CG2 4.22Å; Q96-V170 HydrophobicContact CB-CG1 3.74Å; Q96-V170 HydrophobicContact CG-CG1 4.11Å; L97-V170 CarbonylContact O-C 3.56Å; L97-V170 VanDerWaalsContact O-CA 3.3Å; L97-V170 WeakPolarHBondContact O-CA 3.41Å; V163-V170 HydrophobicContact CB-CG2 4.46Å; V163-V170 WeakPolarHBondContact O-CG2 3.4Å; N166-V170 PolarHBondContact O-N 2.99Å; Q167-V170 WeakPolarHBondContact CA-O 3.36Å |
| 171 | V | 91.4 | Very high | 78.4 | Confident | 26 Ų | 26 | 84.1 Ų | 84.1 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.3 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | Q96 L97 M99 Q167 L176 | Q96-V171 CarbonylContact C-O 3.58Å; Q96-V171 WeakPolarHBondContact CA-O 3.46Å; L97-V171 PolarHBondContact N-O 2.9Å; L97-V171 PolarHBondContact O-N 3.21Å; M99-V171 HydrophobicContact CG-CB 4.14Å; M99-V171 HydrophobicContact CG-CG2 3.48Å; M99-V171 VanDerWaalsContact CG-CG2 3.48Å; M99-V171 HydrophobicContact SD-CG2 4.29Å; Q167-V171 WeakPolarHBondContact O-CG2 3.39Å; V171-L176 HydrophobicContact CG1-CD1 4.19Å |
| 172 | D | 87.9 | Confident | 76.4 | Confident | 42 Ų | 42 | 82.9 Ų | 82.9 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 117.8 | 174.1 | -178 | -5.7 | 0 | 0 | 0 | 110.5 | Q96 Q174 W175 | Q96-D172 HydrophobicContact CG-CB 4.05Å; D172-Q174 PolarHBondContact O-N 3.48Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.44Å; D172-Q174 WeakPolarHBondContact OD1-CG 3.46Å; D172-Q174 PolarHBondContact OD1-N 3.35Å; D172-W175 VanDerWaalsContact CG-CD1 3.46Å; D172-W175 PolarHBondContact O-N 2.94Å; D172-W175 VanDerWaalsContact OD2-CD1 3.27Å; D172-W175 PolarHBondContact OD2-NE1 2.88Å |
| 173 | L | 82.6 | Confident | 74.4 | Confident | 13 Ų | 13 | 85 Ų | 85 | 7% | 0.068 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.1 | -177.3 | -67.4 | 171.9 | 0 | 0 | 0 | 112.1 | Q95 L97 W175 L176 E177 A194 K198 | Q95-L173 VanDerWaalsContact O-CB 3.28Å; Q95-L173 WeakPolarHBondContact O-CB 3.49Å; Q95-L173 PolarHBondContact O-N 2.84Å; L97-L173 HydrophobicContact CD1-CD1 4.43Å; L97-L173 HydrophobicContact CD1-CD2 3.7Å; L97-L173 HydrophobicContact CD1-CG 4.32Å; L97-L173 HydrophobicContact CD2-CD1 4.14Å; L97-L173 HydrophobicContact CG-CD1 3.93Å; L97-L173 HydrophobicContact CG-CD2 3.94Å; L97-L173 HydrophobicContact CG-CG 3.99Å; L173-W175 PolarHBondContact O-N 3.06Å; L173-L176 PolarHBondContact O-N 3.45Å; L173-L176 VanDerWaalsContact O-N 3.15Å; L173-E177 PolarHBondContact O-N 2.97Å; L173-A194 HydrophobicContact CD2-CB 4.3Å; L173-K198 HydrophobicContact CD1-CD 4.36Å |
| 174 | Q | 76.7 | Confident | 72.6 | Confident | 90 Ų | 90 | 93.7 Ų | 93.7 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -26.6 | 179.2 | -58.1 | -176.9 | 8.6 | 0 | 0 | 111.9 | Q95 D172 L176 E177 N178 | Q95-Q174 HydrophobicContact CB-CG 4.17Å; D172-Q174 PolarHBondContact O-N 3.48Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.44Å; D172-Q174 WeakPolarHBondContact OD1-CG 3.46Å; D172-Q174 PolarHBondContact OD1-N 3.35Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.4Å; Q174-E177 PolarHBondContact O-N 3.43Å; Q174-N178 WeakPolarHBondContact O-CB 3.4Å; Q174-N178 PolarHBondContact O-N 2.87Å |
| 175 | W | 66.8 | Low | 70.9 | Confident | 200 Ų | 200 | 99.5 Ų | 99.5 | 76% | 0.758 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -32 | 174.4 | -76.7 | 74.6 | 0 | 0 | 0 | 113.1 | D172 L173 E177 | D172-W175 VanDerWaalsContact CG-CD1 3.46Å; D172-W175 PolarHBondContact O-N 2.94Å; D172-W175 VanDerWaalsContact OD2-CD1 3.27Å; D172-W175 PolarHBondContact OD2-NE1 2.88Å; L173-W175 PolarHBondContact O-N 3.06Å; W175-E177 VanDerWaalsContact C-N 3.3Å |
| 176 | L | 62.2 | Low | 69.3 | Low | 42 Ų | 42 | 96.8 Ų | 96.8 | 22% | 0.22 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -77.8 | -18.4 | 175.6 | -79 | 116.7 | 0 | 0 | 0 | 112.4 | V171 L173 Q174 S190 A194 | V171-L176 HydrophobicContact CG1-CD1 4.19Å; L173-L176 PolarHBondContact O-N 3.45Å; L173-L176 VanDerWaalsContact O-N 3.15Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.4Å; L176-S190 WeakPolarHBondContact CD2-O 3.21Å; L176-A194 HydrophobicContact CB-CB 3.94Å; L176-A194 HydrophobicContact CD1-CB 4.29Å; L176-A194 HydrophobicContact CD2-CB 3.82Å; L176-A194 HydrophobicContact CG-CB 4.22Å |
| 177 | E | 58.8 | Low | 67.9 | Low | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -98.6 | -28.1 | -178.1 | -67.3 | -177.2 | 165.2 | 0 | 0 | 113.7 | L173 Q174 W175 | L173-E177 PolarHBondContact O-N 2.97Å; Q174-E177 PolarHBondContact O-N 3.43Å; W175-E177 VanDerWaalsContact C-N 3.3Å |
| 178 | N | 52.5 | Low | 66.8 | Low | 122 Ų | 122 | 93 Ų | 93 | 65% | 0.652 | 48% | 0.484 | S | S | * | . | trans | -118.4 | 13.8 | -169.3 | -67.4 | -12.7 | 0 | 0 | 0 | 115.6 | Q174 E180 | Q174-N178 WeakPolarHBondContact O-CB 3.4Å; Q174-N178 PolarHBondContact O-N 2.87Å; N178-E180 PolarHBondContact O-N 3.45Å | ||
| 179 | G | 51.8 | Low | 65.6 | Low | 49 Ų | 49 | 91.7 Ų | 91.7 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | trans | -56.9 | 130.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | M181 | G179-M181 PolarHBondContact O-N 2.99Š| ||
| 180 | E | 46.3 | Very low | 64.6 | Low | 204 Ų | 204 | 91.6 Ų | 91.6 | 95% | 0.953 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -67 | 39 | 178 | -63.1 | -174.3 | 152.4 | 0 | 0 | 113.6 | N178 | N178-E180 PolarHBondContact O-N 3.45Š|
| 181 | M | 50.6 | Low | 63.6 | Low | 124 Ų | 124 | 97.3 Ų | 97.3 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -107.3 | 144.9 | 178.9 | -72.8 | -67.8 | -69.3 | 0 | 0 | 110.1 | G179 | G179-M181 PolarHBondContact O-N 2.99Š|
| 182 | P | 53.8 | Low | 63.1 | Low | 93 Ų | 93 | 100.2 Ų | 100.2 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | trans | -56.3 | 130.8 | -179.2 | -22.1 | 31.2 | 0 | 0 | 0 | 111.5 | E184 | P182-E184 PolarHBondContact O-N 2.92Š| ||
| 183 | P | 54.8 | Low | 62.8 | Low | 91 Ų | 91 | 102.8 Ų | 102.8 | 59% | 0.591 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -2.8 | -169 | 24.7 | -34 | 0 | 0 | 0 | 115.1 | ||
| 184 | E | 57 | Low | 62.8 | Low | 182 Ų | 182 | 102.6 Ų | 102.6 | 85% | 0.85 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -21 | -171.3 | -67.3 | -174.5 | 161.9 | 0 | 0 | 114.2 | P182 | P182-E184 PolarHBondContact O-N 2.92Š|
| 185 | D | 54.4 | Low | 63.2 | Low | 155 Ų | 155 | 104.2 Ų | 104.2 | 83% | 0.829 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -10.2 | -174.9 | -77.2 | -33.2 | 0 | 0 | 0 | 115.9 | ||
| 186 | L | 54.2 | Low | 64.2 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -128.8 | -10.2 | -174.5 | -154.7 | 62.7 | 0 | 0 | 0 | 115.7 | S190 | L186-S190 VanDerWaalsContact O-CB 3.24Å; L186-S190 WeakPolarHBondContact O-CB 3.48Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 2.83Å |
| 187 | D | 62.3 | Low | 65.5 | Low | 46 Ų | 46 | 99.3 Ų | 99.3 | 25% | 0.246 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -76.2 | -35.4 | -170.3 | -102.2 | 36 | 0 | 0 | 0 | 115 | S190 R191 | D187-S190 PolarHBondContact O-OG 3.36Å; D187-R191 WeakPolarHBondContact O-CB 3.38Å; D187-R191 PolarHBondContact O-N 3Å; D187-R191 IonicContact OD2-CZ 2.65Å; D187-R191 IonicContact OD2-NH1 2.79Å; D187-R191 IonicContact OD2-NH2 2.93Å; D187-R191 PolarHBondContact OD2-NH2 3.34Å |
| 188 | S | 64.1 | Low | 67 | Low | 79 Ų | 79 | 97 Ų | 97 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.7 | -41.8 | -177.5 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | N192 | S188-N192 WeakPolarHBondContact O-CB 3.34Å; S188-N192 PolarHBondContact O-N 2.93Å; S188-N192 PolarHBondContact O-ND2 2.92Å |
| 189 | L | 65.6 | Low | 68.9 | Low | 127 Ų | 127 | 96.7 Ų | 96.7 | 67% | 0.665 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.8 | -42.5 | -180 | -86.9 | 143.8 | 0 | 0 | 0 | 112.4 | L193 | L189-L193 VanDerWaalsContact O-CB 3.25Å; L189-L193 WeakPolarHBondContact O-CB 3.48Å; L189-L193 PolarHBondContact O-N 3.38Å |
| 190 | S | 69.8 | Low | 70.9 | Confident | 23 Ų | 23 | 98.9 Ų | 98.9 | 16% | 0.161 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 177 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | L176 L186 D187 L193 A194 | L176-S190 WeakPolarHBondContact CD2-O 3.21Å; L186-S190 VanDerWaalsContact O-CB 3.24Å; L186-S190 WeakPolarHBondContact O-CB 3.48Å; L186-S190 PolarHBondContact O-N 3.3Å; L186-S190 PolarHBondContact O-OG 2.83Å; D187-S190 PolarHBondContact O-OG 3.36Å; S190-L193 PolarHBondContact O-N 2.94Å; S190-A194 PolarHBondContact O-N 2.84Å |
| 191 | R | 73.1 | Confident | 73.1 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 175.9 | -166.1 | 176.6 | -68.7 | 128.8 | 5.3 | 111.9 | D187 F195 | D187-R191 WeakPolarHBondContact O-CB 3.38Å; D187-R191 PolarHBondContact O-N 3Å; D187-R191 IonicContact OD2-CZ 2.65Å; D187-R191 IonicContact OD2-NH1 2.79Å; D187-R191 IonicContact OD2-NH2 2.93Å; D187-R191 PolarHBondContact OD2-NH2 3.34Å; R191-F195 WeakPolarHBondContact O-CB 3.34Å; R191-F195 PolarHBondContact O-N 3.2Å |
| 192 | N | 79.4 | Confident | 75 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 172.9 | -73.7 | -24.2 | 0 | 0 | 0 | 111.9 | S188 F195 H196 | S188-N192 WeakPolarHBondContact O-CB 3.34Å; S188-N192 PolarHBondContact O-N 2.93Å; S188-N192 PolarHBondContact O-ND2 2.92Å; N192-F195 PolarHBondContact O-N 3.36Å; N192-H196 WeakPolarHBondContact O-CB 3.31Å; N192-H196 PolarHBondContact O-N 2.99Å |
| 193 | L | 82.2 | Confident | 76.9 | Confident | 95 Ų | 95 | 85.4 Ų | 85.4 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68 | -45.6 | 176.7 | -179.1 | 62.8 | 0 | 0 | 0 | 111.6 | L189 S190 F195 H196 L197 | L189-L193 VanDerWaalsContact O-CB 3.25Å; L189-L193 WeakPolarHBondContact O-CB 3.48Å; L189-L193 PolarHBondContact O-N 3.38Å; S190-L193 PolarHBondContact O-N 2.94Å; L193-F195 VanDerWaalsContact C-N 3.32Å; L193-F195 PolarHBondContact O-N 3.06Å; L193-H196 PolarHBondContact O-N 3.3Å; L193-L197 HydrophobicContact CD1-CD1 4.18Å; L193-L197 HydrophobicContact CD1-CG 4.16Å; L193-L197 HydrophobicContact CG-CD1 3.95Å; L193-L197 HydrophobicContact CG-CG 4.37Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.44Å; L193-L197 PolarHBondContact O-N 2.94Å |
| 194 | A | 82.6 | Confident | 78.8 | Confident | 9 Ų | 9 | 84.1 Ų | 84.1 | 7% | 0.074 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L173 L176 S190 L197 K198 | L173-A194 HydrophobicContact CD2-CB 4.3Å; L176-A194 HydrophobicContact CB-CB 3.94Å; L176-A194 HydrophobicContact CD1-CB 4.29Å; L176-A194 HydrophobicContact CD2-CB 3.82Å; L176-A194 HydrophobicContact CG-CB 4.22Å; S190-A194 PolarHBondContact O-N 2.84Å; A194-L197 PolarHBondContact O-N 3.29Å; A194-K198 VanDerWaalsContact O-CB 3.31Å; A194-K198 WeakPolarHBondContact O-CB 3.29Å; A194-K198 PolarHBondContact O-N 3.26Å |
| 195 | F | 84.9 | Confident | 80.4 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 54% | 0.544 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.4 | -179.9 | -99.5 | 0 | 0 | 0 | 112.1 | R191 N192 L193 R199 | R191-F195 WeakPolarHBondContact O-CB 3.34Å; R191-F195 PolarHBondContact O-N 3.2Å; N192-F195 PolarHBondContact O-N 3.36Å; L193-F195 VanDerWaalsContact C-N 3.32Å; L193-F195 PolarHBondContact O-N 3.06Å; F195-R199 WeakPolarHBondContact O-CB 3.43Å; F195-R199 PolarHBondContact O-N 3.49Å |
| 196 | H | 88.4 | Confident | 82.2 | Confident | 87 Ų | 87 | 72 Ų | 72 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 177.2 | -71.8 | 172 | 0 | 0 | 0 | 112.6 | N192 L193 R199 L200 | N192-H196 WeakPolarHBondContact O-CB 3.31Å; N192-H196 PolarHBondContact O-N 2.99Å; L193-H196 PolarHBondContact O-N 3.3Å; H196-R199 PolarHBondContact O-N 3Å; H196-L200 WeakPolarHBondContact O-CB 3.45Å; H196-L200 VanDerWaalsContact O-CG 3.3Å; H196-L200 WeakPolarHBondContact O-CG 3.17Å; H196-L200 PolarHBondContact O-N 3.39Å |
| 197 | L | 89.2 | Confident | 84 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 176.8 | -76.7 | 171.6 | 0 | 0 | 0 | 111.2 | L97 M99 L193 A194 R199 L200 V201 | L97-L197 HydrophobicContact CD1-CB 4.41Å; M99-L197 HydrophobicContact CE-CD2 4.43Å; L193-L197 HydrophobicContact CD1-CD1 4.18Å; L193-L197 HydrophobicContact CD1-CG 4.16Å; L193-L197 HydrophobicContact CG-CD1 3.95Å; L193-L197 HydrophobicContact CG-CG 4.37Å; L193-L197 WeakPolarHBondContact O-CB 3.45Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.44Å; L193-L197 PolarHBondContact O-N 2.94Å; A194-L197 PolarHBondContact O-N 3.29Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.32Å; L197-L200 PolarHBondContact O-N 3.06Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.43Å |
| 198 | K | 90.7 | Very high | 85.3 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 174.1 | -179.3 | 169.2 | -176.3 | 174.1 | 0 | 111.2 | Q91 L97 L173 A194 L200 V201 D202 | Q91-K198 VanDerWaalsContact NE2-CE 3.31Å; L97-K198 HydrophobicContact CD1-CB 4.05Å; L97-K198 HydrophobicContact CD2-CB 4.31Å; L97-K198 HydrophobicContact CD2-CG 4.12Å; L173-K198 HydrophobicContact CD1-CD 4.36Å; A194-K198 VanDerWaalsContact O-CB 3.31Å; A194-K198 WeakPolarHBondContact O-CB 3.29Å; A194-K198 PolarHBondContact O-N 3.26Å; K198-L200 PolarHBondContact O-N 3.19Å; K198-V201 PolarHBondContact O-N 2.86Å; K198-D202 WeakPolarHBondContact O-CB 3.5Å; K198-D202 VanDerWaalsContact O-CG 3.27Å; K198-D202 PolarHBondContact O-N 3.22Å |
| 199 | R | 92.7 | Very high | 86.6 | Confident | 114 Ų | 114 | 73.8 Ų | 73.8 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 178 | -167.1 | -176.3 | 72.2 | -155.5 | -6.3 | 112.1 | F195 H196 L197 D202 E203 | F195-R199 WeakPolarHBondContact O-CB 3.43Å; F195-R199 PolarHBondContact O-N 3.49Å; H196-R199 PolarHBondContact O-N 3Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.32Å; R199-D202 PolarHBondContact O-N 2.94Å; R199-E203 WeakPolarHBondContact CG-OE1 3.46Å; R199-E203 IonicContact NE-OE1 3.32Å; R199-E203 PolarHBondContact NE-OE1 3.01Å; R199-E203 WeakPolarHBondContact O-CB 3.38Å; R199-E203 VanDerWaalsContact O-CG 3.27Å; R199-E203 WeakPolarHBondContact O-CG 3.41Å; R199-E203 PolarHBondContact O-N 2.97Å |
| 200 | L | 92.4 | Very high | 87.8 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 179.6 | -74.6 | 170.9 | 0 | 0 | 0 | 112.7 | H196 L197 K198 E203 R204 | H196-L200 WeakPolarHBondContact O-CB 3.45Å; H196-L200 VanDerWaalsContact O-CG 3.3Å; H196-L200 WeakPolarHBondContact O-CG 3.17Å; H196-L200 PolarHBondContact O-N 3.39Å; L197-L200 PolarHBondContact O-N 3.06Å; K198-L200 PolarHBondContact O-N 3.19Å; L200-E203 PolarHBondContact O-N 2.97Å; L200-R204 WeakPolarHBondContact O-CB 3.4Å; L200-R204 PolarHBondContact O-N 3.33Å |
| 201 | V | 92.2 | Very high | 88.9 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | M99 L197 K198 R204 D205 | M99-V201 HydrophobicContact CE-CG2 4.24Å; M99-V201 HydrophobicContact SD-CG2 3.68Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.43Å; K198-V201 PolarHBondContact O-N 2.86Å; V201-R204 PolarHBondContact O-N 3.11Å; V201-D205 WeakPolarHBondContact O-CB 3.49Å; V201-D205 VanDerWaalsContact O-CG 3.29Å; V201-D205 PolarHBondContact O-N 2.95Å |
| 202 | D | 92.4 | Very high | 89.8 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.3 | -73.9 | -23.4 | 0 | 0 | 0 | 111.8 | K87 Q91 K198 R199 D205 T206 | K87-D202 IonicContact NZ-OD1 3.97Å; Q91-D202 PolarHBondContact NE2-OD1 3.11Å; Q91-D202 PolarHBondContact NE2-OD2 2.87Å; Q91-D202 PolarHBondContact OE1-OD1 3.4Å; K198-D202 WeakPolarHBondContact O-CB 3.5Å; K198-D202 VanDerWaalsContact O-CG 3.27Å; K198-D202 PolarHBondContact O-N 3.22Å; R199-D202 PolarHBondContact O-N 2.94Å; D202-D205 PolarHBondContact O-N 3.22Å; D202-T206 VanDerWaalsContact O-CB 3.28Å; D202-T206 WeakPolarHBondContact O-CB 3.46Å; D202-T206 PolarHBondContact O-N 3.38Å; D202-T206 PolarHBondContact O-OG1 2.98Å |
| 203 | E | 93.4 | Very high | 90.2 | Very high | 85 Ų | 85 | 69.1 Ų | 69.1 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 175 | -77.6 | 170.6 | -162.7 | 0 | 0 | 111.5 | R199 L200 D205 T206 Q207 | R199-E203 WeakPolarHBondContact CG-OE1 3.46Å; R199-E203 IonicContact NE-OE1 3.32Å; R199-E203 PolarHBondContact NE-OE1 3.01Å; R199-E203 WeakPolarHBondContact O-CB 3.38Å; R199-E203 VanDerWaalsContact O-CG 3.27Å; R199-E203 WeakPolarHBondContact O-CG 3.41Å; R199-E203 PolarHBondContact O-N 2.97Å; L200-E203 PolarHBondContact O-N 2.97Å; E203-D205 PolarHBondContact O-N 3.45Å; E203-T206 PolarHBondContact O-N 2.86Å; E203-Q207 VanDerWaalsContact O-CG 3.29Å; E203-Q207 WeakPolarHBondContact O-CG 3.43Å; E203-Q207 PolarHBondContact O-N 2.74Å |
| 204 | R | 93.6 | Very high | 90.5 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.9 | -51.2 | 176.6 | 178.3 | -160.5 | 71.5 | -176.9 | -3 | 111.2 | V98 M99 M100 L200 V201 Q207 L208 | V98-R204 PolarHBondContact O-NH2 2.87Å; M99-R204 PolarHBondContact O-NH1 3Å; M100-R204 PolarHBondContact O-NH1 3.25Å; L200-R204 WeakPolarHBondContact O-CB 3.4Å; L200-R204 PolarHBondContact O-N 3.33Å; V201-R204 PolarHBondContact O-N 3.11Å; R204-Q207 PolarHBondContact O-N 2.95Å; R204-L208 HydrophobicContact CG-CD1 4.39Å; R204-L208 WeakPolarHBondContact O-CG 3.43Å; R204-L208 PolarHBondContact O-N 3.31Å |
| 205 | D | 91.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.2 | -37.6 | -174.9 | -69.3 | -8.6 | 0 | 0 | 0 | 111.8 | K87 L102 V201 D202 E203 Q207 L208 E209 | K87-D205 HydrophobicContact CD-CB 4.24Å; K87-D205 WeakPolarHBondContact CD-OD2 3.29Å; K87-D205 WeakPolarHBondContact CE-OD2 3.41Å; K87-D205 IonicContact NZ-OD2 2.66Å; K87-D205 PolarHBondContact NZ-OD2 3.46Å; L102-D205 HydrophobicContact CD1-CB 4.24Å; L102-D205 VanDerWaalsContact CD1-CG 3.49Å; L102-D205 WeakPolarHBondContact CD1-OD1 3.25Å; L102-D205 WeakPolarHBondContact CD1-OD2 3.41Å; V201-D205 WeakPolarHBondContact O-CB 3.49Å; V201-D205 VanDerWaalsContact O-CG 3.29Å; V201-D205 PolarHBondContact O-N 2.95Å; D202-D205 PolarHBondContact O-N 3.22Å; E203-D205 PolarHBondContact O-N 3.45Å; D205-Q207 VanDerWaalsContact C-N 3.32Å; D205-Q207 PolarHBondContact O-N 2.68Å; D205-L208 PolarHBondContact O-N 3.01Å; D205-E209 PolarHBondContact O-N 3.39Å |
| 206 | T | 92.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | D202 E203 E209 T210 | D202-T206 VanDerWaalsContact O-CB 3.28Å; D202-T206 WeakPolarHBondContact O-CB 3.46Å; D202-T206 PolarHBondContact O-N 3.38Å; D202-T206 PolarHBondContact O-OG1 2.98Å; E203-T206 PolarHBondContact O-N 2.86Å; T206-E209 PolarHBondContact O-N 3.12Å; T206-T210 WeakPolarHBondContact O-CB 2.91Å; T206-T210 PolarHBondContact O-N 2.95Å; T206-T210 PolarHBondContact O-OG1 3.4Å |
| 207 | Q | 91.4 | Very high | 90.4 | Very high | 129 Ų | 129 | 67.6 Ų | 67.6 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 173.6 | -72.5 | 174.6 | -1.2 | 0 | 0 | 111.7 | E203 R204 D205 T210 I211 | E203-Q207 VanDerWaalsContact O-CG 3.29Å; E203-Q207 WeakPolarHBondContact O-CG 3.43Å; E203-Q207 PolarHBondContact O-N 2.74Å; R204-Q207 PolarHBondContact O-N 2.95Å; D205-Q207 VanDerWaalsContact C-N 3.32Å; D205-Q207 PolarHBondContact O-N 2.68Å; Q207-T210 PolarHBondContact O-N 3.44Å; Q207-I211 VanDerWaalsContact O-CG1 3.26Å; Q207-I211 WeakPolarHBondContact O-CG1 3.42Å; Q207-I211 PolarHBondContact O-N 2.95Å |
| 208 | L | 89.1 | Confident | 89.9 | Confident | 71 Ų | 71 | 71.3 Ų | 71.3 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.3 | -72.2 | 173.2 | 0 | 0 | 0 | 112 | R204 D205 I211 V212 | R204-L208 HydrophobicContact CG-CD1 4.39Å; R204-L208 WeakPolarHBondContact O-CG 3.43Å; R204-L208 PolarHBondContact O-N 3.31Å; D205-L208 PolarHBondContact O-N 3.01Å; L208-I211 PolarHBondContact O-N 3.49Å; L208-V212 WeakPolarHBondContact O-CG2 3.37Å; L208-V212 PolarHBondContact O-N 2.96Å; L208-V212 VanDerWaalsContact O-N 3.08Å |
| 209 | E | 90.6 | Very high | 89 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 173.6 | -74.5 | -171.3 | -145.3 | 0 | 0 | 111.3 | R84 D205 T206 I211 V212 E213 | R84-E209 IonicContact CZ-OE2 2.82Å; R84-E209 IonicContact NE-OE2 3.65Å; R84-E209 PolarHBondContact NE-OE2 3.42Å; R84-E209 IonicContact NH2-OE2 3.57Å; R84-E209 PolarHBondContact NH2-OE2 3.3Å; D205-E209 PolarHBondContact O-N 3.39Å; T206-E209 PolarHBondContact O-N 3.12Å; E209-I211 VanDerWaalsContact C-N 3.31Å; E209-I211 PolarHBondContact O-N 2.99Å; E209-V212 WeakPolarHBondContact O-CB 3.44Å; E209-V212 PolarHBondContact O-N 3.35Å; E209-V212 VanDerWaalsContact O-N 3.09Å; E209-E213 WeakPolarHBondContact O-CG 3.17Å; E209-E213 PolarHBondContact O-N 3.46Å |
| 210 | T | 92.6 | Very high | 87.6 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | T206 Q207 V212 E213 L214 | T206-T210 WeakPolarHBondContact O-CB 2.91Å; T206-T210 PolarHBondContact O-N 2.95Å; T206-T210 PolarHBondContact O-OG1 3.4Å; Q207-T210 PolarHBondContact O-N 3.44Å; T210-V212 VanDerWaalsContact C-N 3.33Å; T210-V212 PolarHBondContact O-N 3.19Å; T210-E213 PolarHBondContact O-N 2.93Å; T210-L214 HydrophobicContact CG2-CD1 3.9Å; T210-L214 HydrophobicContact CG2-CG 4.25Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 WeakPolarHBondContact O-CG 3.39Å; T210-L214 PolarHBondContact O-N 3.33Å |
| 211 | I | 91.6 | Very high | 86 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 45% | 0.446 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.1 | -72 | 164.1 | 0 | 0 | 0 | 110.6 | L106 Q207 L208 E209 T215 | L106-I211 HydrophobicContact CD1-CG2 4.4Å; Q207-I211 VanDerWaalsContact O-CG1 3.26Å; Q207-I211 WeakPolarHBondContact O-CG1 3.42Å; Q207-I211 PolarHBondContact O-N 2.95Å; L208-I211 PolarHBondContact O-N 3.49Å; E209-I211 VanDerWaalsContact C-N 3.31Å; E209-I211 PolarHBondContact O-N 2.99Å; I211-T215 WeakPolarHBondContact O-CB 3.4Å; I211-T215 PolarHBondContact O-N 2.94Å; I211-T215 PolarHBondContact O-OG1 3.39Å |
| 212 | V | 91.3 | Very high | 84.2 | Confident | 18 Ų | 18 | 75.2 Ų | 75.2 | 11% | 0.109 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.3 | 176 | 0 | 0 | 0 | 0 | 110.5 | I76 V105 L106 L208 E209 T210 T215 Q216 | I76-V212 HydrophobicContact CG2-CG1 3.77Å; V105-V212 HydrophobicContact CG2-CG1 4Å; V105-V212 HydrophobicContact CG2-CG2 3.63Å; L106-V212 HydrophobicContact CD1-CG2 4.28Å; L106-V212 HydrophobicContact CD2-CG1 4.19Å; L106-V212 HydrophobicContact CD2-CG2 4.49Å; L106-V212 HydrophobicContact CG-CG2 4.07Å; L208-V212 WeakPolarHBondContact O-CG2 3.37Å; L208-V212 PolarHBondContact O-N 2.96Å; L208-V212 VanDerWaalsContact O-N 3.08Å; E209-V212 WeakPolarHBondContact O-CB 3.44Å; E209-V212 PolarHBondContact O-N 3.35Å; E209-V212 VanDerWaalsContact O-N 3.09Å; T210-V212 VanDerWaalsContact C-N 3.33Å; T210-V212 PolarHBondContact O-N 3.19Å; V212-T215 PolarHBondContact O-N 2.9Å; V212-Q216 WeakPolarHBondContact O-CG 3.32Å; V212-Q216 PolarHBondContact O-N 3.35Å |
| 213 | E | 89.8 | Confident | 82.2 | Confident | 97 Ų | 97 | 79 Ų | 79 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.4 | -53.9 | -179.9 | -70.8 | 177.3 | 175.7 | 0 | 0 | 112 | E209 T210 T215 Q216 E217 | E209-E213 WeakPolarHBondContact O-CG 3.17Å; E209-E213 PolarHBondContact O-N 3.46Å; T210-E213 PolarHBondContact O-N 2.93Å; E213-T215 PolarHBondContact O-N 3.35Å; E213-Q216 PolarHBondContact O-N 2.94Å; E213-E217 WeakPolarHBondContact O-CG 3.29Å; E213-E217 PolarHBondContact O-N 2.95Å |
| 214 | L | 88.6 | Confident | 79.6 | Confident | 101 Ų | 101 | 79.4 Ų | 79.4 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.3 | -35.8 | 177.6 | -69.9 | 174.7 | 0 | 0 | 0 | 112.2 | T210 R218 | T210-L214 HydrophobicContact CG2-CD1 3.9Å; T210-L214 HydrophobicContact CG2-CG 4.25Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 WeakPolarHBondContact O-CG 3.39Å; T210-L214 PolarHBondContact O-N 3.33Å; L214-R218 WeakPolarHBondContact O-CB 3.44Å; L214-R218 PolarHBondContact O-N 3.24Å |
| 215 | T | 86.8 | Confident | 77.5 | Confident | 22 Ų | 22 | 82 Ų | 82 | 14% | 0.135 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.6 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | L106 I211 V212 E213 D219 | L106-T215 HydrophobicContact CD1-CG2 4.08Å; L106-T215 HydrophobicContact CD2-CG2 3.93Å; I211-T215 WeakPolarHBondContact O-CB 3.4Å; I211-T215 PolarHBondContact O-N 2.94Å; I211-T215 PolarHBondContact O-OG1 3.39Å; V212-T215 PolarHBondContact O-N 2.9Å; E213-T215 PolarHBondContact O-N 3.35Å; T215-D219 VanDerWaalsContact O-CG 3.29Å; T215-D219 PolarHBondContact O-N 2.97Å |
| 216 | Q | 84.3 | Confident | 75.2 | Confident | 35 Ų | 35 | 89 Ų | 89 | 16% | 0.164 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.3 | -39 | 174 | -75.5 | -176.4 | -7.2 | 0 | 0 | 112.4 | V212 E213 D219 C220 | V212-Q216 WeakPolarHBondContact O-CG 3.32Å; V212-Q216 PolarHBondContact O-N 3.35Å; E213-Q216 PolarHBondContact O-N 2.94Å; Q216-D219 PolarHBondContact O-N 3.49Å; Q216-C220 WeakPolarHBondContact O-CB 3.42Å; Q216-C220 PolarHBondContact O-N 3.16Å; Q216-C220 PolarHBondContact O-SG 3.16Å |
| 217 | E | 81.4 | Confident | 72.5 | Confident | 125 Ų | 125 | 89.9 Ų | 89.9 | 58% | 0.584 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 176 | -73.4 | -176.5 | 171.4 | 0 | 0 | 111.5 | E213 D219 C220 V221 | E213-E217 WeakPolarHBondContact O-CG 3.29Å; E213-E217 PolarHBondContact O-N 2.95Å; E217-D219 VanDerWaalsContact C-N 3.31Å; E217-D219 PolarHBondContact O-N 2.9Å; E217-C220 PolarHBondContact O-N 2.84Å; E217-V221 WeakPolarHBondContact O-CG2 3.44Å; E217-V221 PolarHBondContact O-N 3.42Å |
| 218 | R | 79.4 | Confident | 70.3 | Confident | 130 Ų | 130 | 88.9 Ų | 88.9 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57 | -44.7 | 175.5 | -175.5 | -161.2 | 69.5 | -173.6 | 2.5 | 111.9 | L214 V221 Q222 | L214-R218 WeakPolarHBondContact O-CB 3.44Å; L214-R218 PolarHBondContact O-N 3.24Å; R218-V221 PolarHBondContact O-N 3.38Å; R218-Q222 PolarHBondContact O-N 2.89Å |
| 219 | D | 71.1 | Confident | 67.9 | Low | 31 Ų | 31 | 93 Ų | 93 | 17% | 0.166 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -73.4 | -35.7 | -177 | -73.8 | 11.5 | 0 | 0 | 0 | 112.3 | R110 T215 Q216 E217 V221 Q222 L223 | R110-D219 IonicContact CZ-OD2 3.72Å; R110-D219 IonicContact NE-OD2 3.3Å; R110-D219 IonicContact NH2-OD1 3.53Å; R110-D219 IonicContact NH2-OD2 3.76Å; R110-D219 PolarHBondContact NH2-OD2 3.47Å; T215-D219 VanDerWaalsContact O-CG 3.29Å; T215-D219 PolarHBondContact O-N 2.97Å; Q216-D219 PolarHBondContact O-N 3.49Å; E217-D219 VanDerWaalsContact C-N 3.31Å; E217-D219 PolarHBondContact O-N 2.9Å; D219-V221 VanDerWaalsContact C-N 3.25Å; D219-V221 PolarHBondContact O-N 3.03Å; D219-Q222 PolarHBondContact O-N 3.38Å; D219-L223 WeakPolarHBondContact O-CB 3.47Å; D219-L223 PolarHBondContact O-N 2.91Å |
| 220 | C | 63.4 | Low | 65.5 | Low | 76 Ų | 76 | 94.8 Ų | 94.8 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.2 | -34.8 | 172.7 | -76.6 | 0 | 0 | 0 | 0 | 112.4 | Q216 E217 | Q216-C220 WeakPolarHBondContact O-CB 3.42Å; Q216-C220 PolarHBondContact O-N 3.16Å; Q216-C220 PolarHBondContact O-SG 3.16Å; E217-C220 PolarHBondContact O-N 2.84Å |
| 221 | V | 59.8 | Low | 62.7 | Low | 121 Ų | 121 | 98.1 Ų | 98.1 | 73% | 0.733 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.6 | -33.5 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | E217 R218 D219 | E217-V221 WeakPolarHBondContact O-CG2 3.44Å; E217-V221 PolarHBondContact O-N 3.42Å; R218-V221 PolarHBondContact O-N 3.38Å; D219-V221 VanDerWaalsContact C-N 3.25Å; D219-V221 PolarHBondContact O-N 3.03Å |
| 222 | Q | 54 | Low | 60.5 | Low | 143 Ų | 143 | 103.3 Ų | 103.3 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -79.9 | -26.2 | -179.6 | -76.1 | -177.3 | -18.2 | 0 | 0 | 114.1 | R218 D219 | R218-Q222 PolarHBondContact O-N 2.89Å; D219-Q222 PolarHBondContact O-N 3.38Å |
| 223 | L | 49.2 | Very low | 57.7 | Low | 122 Ų | 122 | 108 Ų | 108 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -96.6 | -0.3 | -174.2 | -71.8 | 169.3 | 0 | 0 | 0 | 115.2 | D219 P225 | D219-L223 WeakPolarHBondContact O-CB 3.47Å; D219-L223 PolarHBondContact O-N 2.91Å; L223-P225 WeakPolarHBondContact O-CD 3.42Å; L223-P225 WeakPolarHBondContact O-CG 3.48Å |
| 224 | S | 38.7 | Very low | 56.3 | Low | 93 Ų | 93 | 109.4 Ų | 109.4 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | trans | -77.8 | 102.3 | 178.3 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | L226 | S224-L226 PolarHBondContact O-N 2.69Š| ||
| 225 | P | 50.1 | Low | 53.7 | Low | 120 Ų | 120 | 108.3 Ų | 108.3 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | trans | -100.4 | 65.4 | -171.9 | 27.2 | -7 | 0 | 0 | 0 | 108.9 | L223 | L223-P225 WeakPolarHBondContact O-CD 3.42Å; L223-P225 WeakPolarHBondContact O-CG 3.48Å | ||
| 226 | L | 43.8 | Very low | 51.2 | Low | 150 Ų | 150 | 114.7 Ų | 114.7 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -163.4 | 75.5 | 171.6 | -100.9 | 165.5 | 0 | 0 | 0 | 111 | S224 P228 | S224-L226 PolarHBondContact O-N 2.69Å; L226-P228 HydrophobicContact CD2-CG 4.34Å | ||
| 227 | A | 35 | Very low | 49.3 | Very low | 97 Ų | 97 | 117.5 Ų | 117.5 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | trans | -129.8 | 88.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | I229 | A227-I229 PolarHBondContact O-N 3.25Š| ||
| 228 | P | 45.3 | Very low | 48.2 | Very low | 108 Ų | 108 | 116.8 Ų | 116.8 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -73.8 | 125.1 | 173.6 | -6.6 | 23.2 | 0 | 0 | 0 | 109.6 | L226 A230 | L226-P228 HydrophobicContact CD2-CG 4.34Å; P228-A230 PolarHBondContact O-N 3.47Å | ||
| 229 | I | 38.8 | Very low | 46 | Very low | 156 Ų | 156 | 115.1 Ų | 115.1 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | trans | -57.2 | 115.8 | 165.8 | -67.3 | 164 | 0 | 0 | 0 | 108.2 | A227 T231 | A227-I229 PolarHBondContact O-N 3.25Å; I229-T231 PolarHBondContact O-N 2.89Å | ||
| 230 | A | 39.6 | Very low | 44.8 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | -67.9 | 114.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P228 | P228-A230 PolarHBondContact O-N 3.47Š| ||
| 231 | T | 35.2 | Very low | 44 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -110.1 | 127.3 | 160.4 | 35.6 | 0 | 0 | 0 | 0 | 108.5 | I229 | I229-T231 PolarHBondContact O-N 2.89Š| ||
| 232 | Q | 44.9 | Very low | 43.5 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -84.3 | 141.1 | -176.9 | -61.8 | 178.2 | 6 | 0 | 0 | 111 | ||||
| 233 | S | 31.5 | Very low | 43.3 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -164.5 | 144.7 | 148.5 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 234 | P | 60.9 | Low | 43.4 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -107.7 | 153.5 | -162.7 | 36.1 | -22.6 | 0 | 0 | 0 | 114.4 | ||||
| 235 | G | 34 | Very low | 44.1 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -167.3 | 137.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 236 | D | 34.8 | Very low | 44.2 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -87.1 | 141.5 | -153.4 | -83.1 | -53 | 0 | 0 | 0 | 118.2 | ||||
| 237 | S | 43.5 | Very low | 44.9 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | 67.4 | 168.8 | 134.5 | -55.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 238 | P | 58.2 | Low | 46.4 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | -129.1 | 160.3 | -88.2 | 33.3 | -12.7 | 0 | 0 | 0 | 115.1 | |||||
| 239 | S | 35.1 | Very low | 47.5 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | trans | -152.4 | 141.4 | 163.1 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | R241 | S239-R241 VanDerWaalsContact C-N 3.29Å; S239-R241 PolarHBondContact O-N 2.85Å | ||
| 240 | M | 45.2 | Very low | 49 | Very low | 188 Ų | 188 | 126.4 Ų | 126.4 | 93% | 0.926 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -68.7 | 56.6 | -164.9 | -80.1 | 161.1 | 54.1 | 0 | 0 | 114.9 | ||
| 241 | R | 47.2 | Very low | 51.1 | Low | 228 Ų | 228 | 125.7 Ų | 125.7 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -132.5 | 18 | 167 | -64.2 | -163.5 | -163.5 | -173.2 | 5.8 | 113.9 | S239 | S239-R241 VanDerWaalsContact C-N 3.29Å; S239-R241 PolarHBondContact O-N 2.85Å | ||
| 242 | R | 48.7 | Very low | 53.1 | Low | 142 Ų | 142 | 125.2 Ų | 125.2 | 54% | 0.536 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -99.8 | -7.7 | -169.1 | -97.7 | -169.7 | -86.7 | 176.6 | -11.4 | 115.9 | R246 | R242-R246 WeakPolarHBondContact O-CB 3.34Å; R242-R246 PolarHBondContact O-N 3.27Å |
| 243 | T | 49.5 | Very low | 54.7 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 64% | 0.644 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.9 | -43.4 | -174.5 | 5 | 0 | 0 | 0 | 0 | 112.6 | Q247 | T243-Q247 WeakPolarHBondContact O-CB 3.47Å; T243-Q247 VanDerWaalsContact O-CG 3.25Å; T243-Q247 WeakPolarHBondContact O-CG 3.43Å; T243-Q247 PolarHBondContact O-N 2.99Å; T243-Q247 VanDerWaalsContact O-N 3.09Å |
| 244 | E | 50.7 | Low | 57.2 | Low | 145 Ų | 145 | 117.4 Ų | 117.4 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.7 | -46.6 | 175.7 | -68.9 | 173.2 | 179.4 | 0 | 0 | 110.9 | R246 Q247 H248 | E244-R246 VanDerWaalsContact C-N 3.35Å; E244-R246 PolarHBondContact O-N 2.89Å; E244-Q247 PolarHBondContact O-N 3.31Å; E244-H248 PolarHBondContact O-CD2 3.45Å; E244-H248 PolarHBondContact O-N 3.22Å |
| 245 | S | 54 | Low | 58.4 | Low | 51 Ų | 51 | 116.1 Ų | 116.1 | 36% | 0.357 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.3 | -36.5 | 179.1 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | L249 | S245-L249 WeakPolarHBondContact O-CB 3.33Å; S245-L249 VanDerWaalsContact O-CD1 3.26Å; S245-L249 WeakPolarHBondContact O-CD1 3.37Å; S245-L249 VanDerWaalsContact O-CG 3.31Å; S245-L249 WeakPolarHBondContact O-CG 3.48Å; S245-L249 PolarHBondContact O-N 3Å |
| 246 | R | 52 | Low | 60.7 | Low | 186 Ų | 186 | 114.7 Ų | 114.7 | 70% | 0.702 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73 | -32.4 | 177 | -172.9 | 174.7 | 174.6 | 161 | -0.7 | 112.3 | R242 E244 S250 | R242-R246 WeakPolarHBondContact O-CB 3.34Å; R242-R246 PolarHBondContact O-N 3.27Å; E244-R246 VanDerWaalsContact C-N 3.35Å; E244-R246 PolarHBondContact O-N 2.89Å; R246-S250 WeakPolarHBondContact O-CB 3.48Å; R246-S250 PolarHBondContact O-N 3.28Å; R246-S250 PolarHBondContact O-OG 3.13Å |
| 247 | Q | 57.8 | Low | 63 | Low | 121 Ų | 121 | 112.9 Ų | 112.9 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.9 | -46.2 | 172 | -76.6 | 172.9 | -9.9 | 0 | 0 | 110.8 | T243 E244 S250 V251 | T243-Q247 WeakPolarHBondContact O-CB 3.47Å; T243-Q247 VanDerWaalsContact O-CG 3.25Å; T243-Q247 WeakPolarHBondContact O-CG 3.43Å; T243-Q247 PolarHBondContact O-N 2.99Å; T243-Q247 VanDerWaalsContact O-N 3.09Å; E244-Q247 PolarHBondContact O-N 3.31Å; Q247-S250 WeakPolarHBondContact CA-OG 3.31Å; Q247-S250 PolarHBondContact O-N 2.72Å; Q247-S250 VanDerWaalsContact O-N 3.15Å; Q247-S250 PolarHBondContact O-OG 3.49Å; Q247-V251 WeakPolarHBondContact O-CG2 3.44Å; Q247-V251 PolarHBondContact O-N 2.67Å |
| 248 | H | 66.9 | Low | 65.3 | Low | 120 Ų | 120 | 110 Ų | 110 | 56% | 0.556 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.5 | -47.9 | 172.9 | -70.5 | -60.7 | 0 | 0 | 0 | 112.2 | E244 S250 V251 E252 | E244-H248 PolarHBondContact O-CD2 3.45Å; E244-H248 PolarHBondContact O-N 3.22Å; H248-S250 VanDerWaalsContact C-N 3.28Å; H248-S250 PolarHBondContact O-N 3.36Å; H248-V251 PolarHBondContact O-N 2.95Å; H248-E252 WeakPolarHBondContact O-CB 3.4Å; H248-E252 WeakPolarHBondContact O-CG 3.34Å; H248-E252 PolarHBondContact O-N 3.36Å |
| 249 | L | 68.8 | Low | 66.8 | Low | 104 Ų | 104 | 110.7 Ų | 110.7 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61 | -34.4 | 173.7 | -83.1 | 152.9 | 0 | 0 | 0 | 112.7 | S245 L253 | S245-L249 WeakPolarHBondContact O-CB 3.33Å; S245-L249 VanDerWaalsContact O-CD1 3.26Å; S245-L249 WeakPolarHBondContact O-CD1 3.37Å; S245-L249 VanDerWaalsContact O-CG 3.31Å; S245-L249 WeakPolarHBondContact O-CG 3.48Å; S245-L249 PolarHBondContact O-N 3Å; L249-L253 WeakPolarHBondContact O-CB 3.39Å; L249-L253 PolarHBondContact O-N 3.1Å |
| 250 | S | 70.9 | Confident | 69.3 | Low | 65 Ų | 65 | 110.2 Ų | 110.2 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.1 | -34.7 | 177.2 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | R246 Q247 H248 A254 | R246-S250 WeakPolarHBondContact O-CB 3.48Å; R246-S250 PolarHBondContact O-N 3.28Å; R246-S250 PolarHBondContact O-OG 3.13Å; Q247-S250 WeakPolarHBondContact CA-OG 3.31Å; Q247-S250 PolarHBondContact O-N 2.72Å; Q247-S250 VanDerWaalsContact O-N 3.15Å; Q247-S250 PolarHBondContact O-OG 3.49Å; H248-S250 VanDerWaalsContact C-N 3.28Å; H248-S250 PolarHBondContact O-N 3.36Å; S250-A254 WeakPolarHBondContact O-CB 3.48Å; S250-A254 PolarHBondContact O-N 3.49Å |
| 251 | V | 83.1 | Confident | 71.5 | Confident | 81 Ų | 81 | 110 Ų | 110 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.6 | -47.5 | 174.1 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | Q247 H248 L253 A254 D255 | Q247-V251 WeakPolarHBondContact O-CG2 3.44Å; Q247-V251 PolarHBondContact O-N 2.67Å; H248-V251 PolarHBondContact O-N 2.95Å; V251-L253 VanDerWaalsContact C-N 3.27Å; V251-L253 PolarHBondContact O-N 3.27Å; V251-A254 CarbonylContact O-C 3.44Å; V251-A254 WeakPolarHBondContact O-CA 3.26Å; V251-A254 WeakPolarHBondContact O-CB 3.4Å; V251-A254 PolarHBondContact O-N 3.33Å; V251-D255 WeakPolarHBondContact O-CB 3.46Å; V251-D255 PolarHBondContact O-N 2.94Å |
| 252 | E | 78.1 | Confident | 73.6 | Confident | 122 Ų | 122 | 105.4 Ų | 105.4 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.4 | -39 | 174.5 | -73.2 | 174.2 | -173.1 | 0 | 0 | 111.9 | H248 D255 A256 | H248-E252 WeakPolarHBondContact O-CB 3.4Å; H248-E252 WeakPolarHBondContact O-CG 3.34Å; H248-E252 PolarHBondContact O-N 3.36Å; E252-D255 PolarHBondContact O-N 2.87Å; E252-A256 VanDerWaalsContact O-CB 3.24Å; E252-A256 WeakPolarHBondContact O-CB 3.39Å; E252-A256 PolarHBondContact O-N 3.39Å |
| 253 | L | 77.7 | Confident | 75.7 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.8 | -32.9 | 175.5 | -174.3 | 136 | 0 | 0 | 0 | 112.4 | L249 V251 K257 | L249-L253 WeakPolarHBondContact O-CB 3.39Å; L249-L253 PolarHBondContact O-N 3.1Å; V251-L253 VanDerWaalsContact C-N 3.27Å; V251-L253 PolarHBondContact O-N 3.27Å; L253-K257 HydrophobicContact CD2-CD 3.9Å; L253-K257 VanDerWaalsContact CD2-CE 3.46Å; L253-K257 VanDerWaalsContact O-CB 3.31Å; L253-K257 WeakPolarHBondContact O-CB 3.5Å; L253-K257 WeakPolarHBondContact O-CG 3.34Å; L253-K257 PolarHBondContact O-N 2.84Å |
| 254 | A | 84.3 | Confident | 77.6 | Confident | 52 Ų | 52 | 106.6 Ų | 106.6 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -41.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | S250 V251 K257 A258 | S250-A254 WeakPolarHBondContact O-CB 3.48Å; S250-A254 PolarHBondContact O-N 3.49Å; V251-A254 CarbonylContact O-C 3.44Å; V251-A254 WeakPolarHBondContact O-CA 3.26Å; V251-A254 WeakPolarHBondContact O-CB 3.4Å; V251-A254 PolarHBondContact O-N 3.33Å; A254-K257 PolarHBondContact O-N 3.41Å; A254-A258 WeakPolarHBondContact O-CB 3.33Å; A254-A258 PolarHBondContact O-N 2.88Å |
| 255 | D | 86.4 | Confident | 79.7 | Confident | 99 Ų | 99 | 105 Ų | 105 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.9 | -78.1 | -17.2 | 0 | 0 | 0 | 111.7 | V251 E252 A258 K259 | V251-D255 WeakPolarHBondContact O-CB 3.46Å; V251-D255 PolarHBondContact O-N 2.94Å; E252-D255 PolarHBondContact O-N 2.87Å; D255-A258 PolarHBondContact O-N 3.16Å; D255-K259 WeakPolarHBondContact O-CB 3.4Å; D255-K259 PolarHBondContact O-N 2.86Å |
| 256 | A | 82.6 | Confident | 81.5 | Confident | 48 Ų | 48 | 107.3 Ų | 107.3 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E252 K259 I260 | E252-A256 VanDerWaalsContact O-CB 3.24Å; E252-A256 WeakPolarHBondContact O-CB 3.39Å; E252-A256 PolarHBondContact O-N 3.39Å; A256-K259 PolarHBondContact O-N 3.04Å; A256-I260 VanDerWaalsContact O-CG1 3.28Å; A256-I260 WeakPolarHBondContact O-CG1 3.41Å; A256-I260 PolarHBondContact O-N 3.07Å |
| 257 | K | 83.4 | Confident | 83.3 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 174.5 | -78.9 | 175.4 | 179 | 178.9 | 0 | 112.5 | L253 A254 I260 R261 | L253-K257 HydrophobicContact CD2-CD 3.9Å; L253-K257 VanDerWaalsContact CD2-CE 3.46Å; L253-K257 VanDerWaalsContact O-CB 3.31Å; L253-K257 WeakPolarHBondContact O-CB 3.5Å; L253-K257 WeakPolarHBondContact O-CG 3.34Å; L253-K257 PolarHBondContact O-N 2.84Å; A254-K257 PolarHBondContact O-N 3.41Å; K257-I260 PolarHBondContact O-N 2.9Å; K257-R261 WeakPolarHBondContact O-CG 3.46Å; K257-R261 PolarHBondContact O-N 3.49Å |
| 258 | A | 90.4 | Very high | 85 | Confident | 32 Ų | 32 | 105.2 Ų | 105.2 | 26% | 0.264 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A254 D255 R261 R262 | A254-A258 WeakPolarHBondContact O-CB 3.33Å; A254-A258 PolarHBondContact O-N 2.88Å; D255-A258 PolarHBondContact O-N 3.16Å; A258-R261 PolarHBondContact O-N 3.39Å; A258-R262 PolarHBondContact O-N 3.49Å |
| 259 | K | 89.9 | Confident | 86.3 | Confident | 127 Ų | 127 | 103.5 Ų | 103.5 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 174.1 | -166.8 | 174.1 | -176.9 | 179.7 | 0 | 111.7 | D255 A256 R261 R262 L263 | D255-K259 WeakPolarHBondContact O-CB 3.4Å; D255-K259 PolarHBondContact O-N 2.86Å; A256-K259 PolarHBondContact O-N 3.04Å; K259-R261 VanDerWaalsContact C-N 3.34Å; K259-R261 PolarHBondContact O-N 2.85Å; K259-R262 PolarHBondContact O-N 3.33Å; K259-L263 HydrophobicContact CG-CD1 4.29Å; K259-L263 WeakPolarHBondContact O-CB 3.5Å; K259-L263 WeakPolarHBondContact O-CG 3.41Å; K259-L263 PolarHBondContact O-N 3.17Å |
| 260 | I | 87 | Confident | 87.5 | Confident | 83 Ų | 83 | 104.8 Ų | 104.8 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 173.7 | -70.7 | 164.8 | 0 | 0 | 0 | 111.3 | A256 K257 R264 | A256-I260 VanDerWaalsContact O-CG1 3.28Å; A256-I260 WeakPolarHBondContact O-CG1 3.41Å; A256-I260 PolarHBondContact O-N 3.07Å; K257-I260 PolarHBondContact O-N 2.9Å; I260-R264 HydrophobicContact CG2-CG 4.47Å; I260-R264 WeakPolarHBondContact O-CB 3.37Å; I260-R264 VanDerWaalsContact O-CG 3.28Å; I260-R264 WeakPolarHBondContact O-CG 3.4Å; I260-R264 PolarHBondContact O-N 3.44Å |
| 261 | R | 92.3 | Very high | 88.5 | Confident | 184 Ų | 184 | 104.9 Ų | 104.9 | 69% | 0.694 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | 176 | -74 | 175 | -176.8 | 165.8 | -0.7 | 112 | K257 A258 K259 R264 Q265 | K257-R261 WeakPolarHBondContact O-CG 3.46Å; K257-R261 PolarHBondContact O-N 3.49Å; A258-R261 PolarHBondContact O-N 3.39Å; K259-R261 VanDerWaalsContact C-N 3.34Å; K259-R261 PolarHBondContact O-N 2.85Å; R261-R264 PolarHBondContact O-N 2.61Å; R261-Q265 PolarHBondContact O-N 3.46Å |
| 262 | R | 92.1 | Very high | 89 | Confident | 131 Ų | 131 | 107 Ų | 107 | 49% | 0.494 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 175 | -80.4 | -175.7 | -99 | 112 | -5.2 | 111.9 | A258 K259 R264 Q265 E266 | A258-R262 PolarHBondContact O-N 3.49Å; K259-R262 PolarHBondContact O-N 3.33Å; R262-R264 VanDerWaalsContact C-N 3.29Å; R262-R264 PolarHBondContact O-N 2.79Å; R262-Q265 PolarHBondContact O-N 3.13Å; R262-Q265 VanDerWaalsContact O-N 3.16Å; R262-E266 WeakPolarHBondContact O-CB 3.25Å; R262-E266 WeakPolarHBondContact O-CG 3.41Å; R262-E266 PolarHBondContact O-N 2.93Å |
| 263 | L | 90.9 | Very high | 89.8 | Confident | 95 Ų | 95 | 105.7 Ų | 105.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 177.3 | -71.4 | 171.8 | 0 | 0 | 0 | 112.9 | K259 L267 | K259-L263 HydrophobicContact CG-CD1 4.29Å; K259-L263 WeakPolarHBondContact O-CB 3.5Å; K259-L263 WeakPolarHBondContact O-CG 3.41Å; K259-L263 PolarHBondContact O-N 3.17Å; L263-L267 VanDerWaalsContact O-CB 3.27Å; L263-L267 WeakPolarHBondContact O-CB 3.27Å; L263-L267 PolarHBondContact O-N 3.01Å |
| 264 | R | 90.9 | Very high | 90.4 | Very high | 177 Ų | 177 | 104.9 Ų | 104.9 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -42.6 | 173.8 | -77.4 | 177.3 | -177.9 | -167.4 | -0.8 | 112 | I260 R261 R262 L267 E268 | I260-R264 HydrophobicContact CG2-CG 4.47Å; I260-R264 WeakPolarHBondContact O-CB 3.37Å; I260-R264 VanDerWaalsContact O-CG 3.28Å; I260-R264 WeakPolarHBondContact O-CG 3.4Å; I260-R264 PolarHBondContact O-N 3.44Å; R261-R264 PolarHBondContact O-N 2.61Å; R262-R264 VanDerWaalsContact C-N 3.29Å; R262-R264 PolarHBondContact O-N 2.79Å; R264-L267 PolarHBondContact O-N 2.94Å; R264-E268 WeakPolarHBondContact O-CB 3.26Å; R264-E268 PolarHBondContact O-N 2.77Å |
| 265 | Q | 93.5 | Very high | 91 | Very high | 111 Ų | 111 | 107.8 Ų | 107.8 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.4 | -177.4 | -179.6 | -11 | 0 | 0 | 110.8 | R261 R262 L267 E268 E269 | R261-Q265 PolarHBondContact O-N 3.46Å; R262-Q265 PolarHBondContact O-N 3.13Å; R262-Q265 VanDerWaalsContact O-N 3.16Å; Q265-L267 VanDerWaalsContact C-N 3.28Å; Q265-L267 PolarHBondContact O-N 3.22Å; Q265-E268 PolarHBondContact O-N 2.85Å; Q265-E268 VanDerWaalsContact O-N 3.13Å; Q265-E269 HydrophobicContact CG-CG 4.44Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.38Å; Q265-E269 PolarHBondContact NE2-OE1 3.08Å; Q265-E269 WeakPolarHBondContact O-CB 3.38Å; Q265-E269 WeakPolarHBondContact O-CG 3.45Å; Q265-E269 PolarHBondContact O-N 3.39Å |
| 266 | E | 91.8 | Very high | 91.4 | Very high | 101 Ų | 101 | 107.3 Ų | 107.3 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 174.8 | -73.5 | 168.8 | -160.1 | 0 | 0 | 111.5 | R262 K270 | R262-E266 WeakPolarHBondContact O-CB 3.25Å; R262-E266 WeakPolarHBondContact O-CG 3.41Å; R262-E266 PolarHBondContact O-N 2.93Å; E266-K270 VanDerWaalsContact O-CB 3.26Å; E266-K270 WeakPolarHBondContact O-CB 3.43Å; E266-K270 WeakPolarHBondContact O-CG 3.4Å; E266-K270 PolarHBondContact O-N 3.45Å |
| 267 | L | 89.9 | Confident | 91.9 | Very high | 118 Ų | 118 | 108.7 Ų | 108.7 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 175.1 | -177.9 | 68.4 | 0 | 0 | 0 | 112.2 | L263 R264 Q265 K270 S271 | L263-L267 VanDerWaalsContact O-CB 3.27Å; L263-L267 WeakPolarHBondContact O-CB 3.27Å; L263-L267 PolarHBondContact O-N 3.01Å; R264-L267 PolarHBondContact O-N 2.94Å; Q265-L267 VanDerWaalsContact C-N 3.28Å; Q265-L267 PolarHBondContact O-N 3.22Å; L267-K270 PolarHBondContact O-N 3.42Å; L267-S271 WeakPolarHBondContact O-CB 3.48Å; L267-S271 PolarHBondContact O-N 3.45Å; L267-S271 PolarHBondContact O-OG 3.03Å |
| 268 | E | 94.3 | Very high | 92.4 | Very high | 144 Ų | 144 | 110.4 Ų | 110.4 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.4 | -46.1 | 178.4 | -163.3 | 161 | -157.4 | 0 | 0 | 110.7 | R264 Q265 K270 S271 E272 | R264-E268 WeakPolarHBondContact O-CB 3.26Å; R264-E268 PolarHBondContact O-N 2.77Å; Q265-E268 PolarHBondContact O-N 2.85Å; Q265-E268 VanDerWaalsContact O-N 3.13Å; E268-K270 VanDerWaalsContact C-N 3.34Å; E268-K270 PolarHBondContact O-N 3.24Å; E268-S271 WeakPolarHBondContact O-CB 3.33Å; E268-S271 PolarHBondContact O-N 2.9Å; E268-S271 VanDerWaalsContact O-N 3.1Å; E268-E272 PolarHBondContact O-N 3.4Å |
| 269 | E | 95 | Very high | 92.7 | Very high | 85 Ų | 85 | 113.4 Ų | 113.4 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 173.1 | -71.3 | 172.3 | -170.7 | 0 | 0 | 111.9 | Q265 S271 E272 Q273 | Q265-E269 HydrophobicContact CG-CG 4.44Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.38Å; Q265-E269 PolarHBondContact NE2-OE1 3.08Å; Q265-E269 WeakPolarHBondContact O-CB 3.38Å; Q265-E269 WeakPolarHBondContact O-CG 3.45Å; Q265-E269 PolarHBondContact O-N 3.39Å; E269-S271 VanDerWaalsContact C-N 3.35Å; E269-E272 PolarHBondContact O-N 3.47Å; E269-Q273 VanDerWaalsContact O-CG 3.29Å; E269-Q273 WeakPolarHBondContact O-CG 3.34Å; E269-Q273 PolarHBondContact O-N 3.4Å |
| 270 | K | 92.8 | Very high | 92.9 | Very high | 131 Ų | 131 | 113.3 Ų | 113.3 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.1 | -32.7 | 174.9 | -71.8 | -72.3 | 165.8 | -158.1 | 0 | 112.6 | E266 L267 E268 L274 | E266-K270 VanDerWaalsContact O-CB 3.26Å; E266-K270 WeakPolarHBondContact O-CB 3.43Å; E266-K270 WeakPolarHBondContact O-CG 3.4Å; E266-K270 PolarHBondContact O-N 3.45Å; L267-K270 PolarHBondContact O-N 3.42Å; E268-K270 VanDerWaalsContact C-N 3.34Å; E268-K270 PolarHBondContact O-N 3.24Å; K270-L274 VanDerWaalsContact O-CB 3.23Å; K270-L274 WeakPolarHBondContact O-CB 3.34Å; K270-L274 PolarHBondContact O-N 3.17Å |
| 271 | S | 91.9 | Very high | 93 | Very high | 67 Ų | 67 | 114.2 Ų | 114.2 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70 | -37.8 | 176.1 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | L267 E268 E269 L274 L275 | L267-S271 WeakPolarHBondContact O-CB 3.48Å; L267-S271 PolarHBondContact O-N 3.45Å; L267-S271 PolarHBondContact O-OG 3.03Å; E268-S271 WeakPolarHBondContact O-CB 3.33Å; E268-S271 PolarHBondContact O-N 2.9Å; E268-S271 VanDerWaalsContact O-N 3.1Å; E269-S271 VanDerWaalsContact C-N 3.35Å; S271-L274 PolarHBondContact O-N 2.85Å; S271-L275 PolarHBondContact O-N 2.94Å |
| 272 | E | 94.5 | Very high | 93.2 | Very high | 126 Ų | 126 | 110.4 Ų | 110.4 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -48.6 | 173.3 | -169.9 | 172.7 | -167.7 | 0 | 0 | 111.1 | E268 E269 L274 L275 D276 | E268-E272 PolarHBondContact O-N 3.4Å; E269-E272 PolarHBondContact O-N 3.47Å; E272-L274 PolarHBondContact O-N 2.97Å; E272-L275 WeakPolarHBondContact O-CB 3.42Å; E272-L275 PolarHBondContact O-N 3.46Å; E272-D276 PolarHBondContact O-N 3.18Å |
| 273 | Q | 93.5 | Very high | 93.3 | Very high | 93 Ų | 93 | 108.6 Ų | 108.6 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.1 | -38.1 | 174.1 | -73.6 | 170.6 | 9.6 | 0 | 0 | 112.6 | E269 T277 | E269-Q273 VanDerWaalsContact O-CG 3.29Å; E269-Q273 WeakPolarHBondContact O-CG 3.34Å; E269-Q273 PolarHBondContact O-N 3.4Å; Q273-T277 WeakPolarHBondContact O-CB 3.31Å; Q273-T277 VanDerWaalsContact O-CG2 3.31Å; Q273-T277 WeakPolarHBondContact O-CG2 3.35Å; Q273-T277 PolarHBondContact O-N 3.41Å; Q273-T277 PolarHBondContact O-OG1 3.21Å |
| 274 | L | 91.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 110.5 Ų | 110.5 | 43% | 0.429 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 176.9 | -175.9 | 153.3 | 0 | 0 | 0 | 112 | K270 S271 E272 T277 R278 | K270-L274 VanDerWaalsContact O-CB 3.23Å; K270-L274 WeakPolarHBondContact O-CB 3.34Å; K270-L274 PolarHBondContact O-N 3.17Å; S271-L274 PolarHBondContact O-N 2.85Å; E272-L274 PolarHBondContact O-N 2.97Å; L274-T277 WeakPolarHBondContact CA-OG1 3.49Å; L274-T277 PolarHBondContact O-OG1 2.92Å; L274-T277 VanDerWaalsContact O-OG1 3.07Å; L274-R278 HydrophobicContact CD2-CG 4.35Å; L274-R278 WeakPolarHBondContact O-CB 3.29Å; L274-R278 VanDerWaalsContact O-CG 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.5Å; L274-R278 PolarHBondContact O-N 3.05Å |
| 275 | L | 96.4 | Very high | 93.7 | Very high | 112 Ų | 112 | 106.7 Ų | 106.7 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -44.6 | 174.6 | -173.1 | 67.5 | 0 | 0 | 0 | 111.2 | S271 E272 R278 Q279 | S271-L275 PolarHBondContact O-N 2.94Å; E272-L275 WeakPolarHBondContact O-CB 3.42Å; E272-L275 PolarHBondContact O-N 3.46Å; L275-R278 PolarHBondContact O-N 3.34Å; L275-Q279 PolarHBondContact O-N 3.44Å |
| 276 | D | 95.6 | Very high | 93.8 | Very high | 89 Ų | 89 | 106 Ų | 106 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 177.9 | -70.2 | -20.5 | 0 | 0 | 0 | 111.1 | E272 R278 Q279 E280 | E272-D276 PolarHBondContact O-N 3.18Å; D276-R278 VanDerWaalsContact C-N 3.33Å; D276-R278 PolarHBondContact O-N 2.99Å; D276-Q279 PolarHBondContact O-N 2.94Å; D276-Q279 VanDerWaalsContact O-N 3.13Å; D276-E280 WeakPolarHBondContact O-CG 3.39Å; D276-E280 PolarHBondContact O-N 3.4Å |
| 277 | T | 91.6 | Very high | 94 | Very high | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 177.7 | 50.1 | 0 | 0 | 0 | 0 | 113 | Q273 L274 L281 | Q273-T277 WeakPolarHBondContact O-CB 3.31Å; Q273-T277 VanDerWaalsContact O-CG2 3.31Å; Q273-T277 WeakPolarHBondContact O-CG2 3.35Å; Q273-T277 PolarHBondContact O-N 3.41Å; Q273-T277 PolarHBondContact O-OG1 3.21Å; L274-T277 WeakPolarHBondContact CA-OG1 3.49Å; L274-T277 PolarHBondContact O-OG1 2.92Å; L274-T277 VanDerWaalsContact O-OG1 3.07Å; T277-L281 WeakPolarHBondContact O-CB 3.33Å; T277-L281 PolarHBondContact O-N 2.91Å |
| 278 | R | 95 | Very high | 94.1 | Very high | 154 Ų | 154 | 103.7 Ų | 103.7 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 171.2 | -81.7 | -179.5 | 179.9 | 168.3 | 1.7 | 111.9 | L274 L275 D276 E280 L281 E282 | L274-R278 HydrophobicContact CD2-CG 4.35Å; L274-R278 WeakPolarHBondContact O-CB 3.29Å; L274-R278 VanDerWaalsContact O-CG 3.3Å; L274-R278 WeakPolarHBondContact O-CG 3.5Å; L274-R278 PolarHBondContact O-N 3.05Å; L275-R278 PolarHBondContact O-N 3.34Å; D276-R278 VanDerWaalsContact C-N 3.33Å; D276-R278 PolarHBondContact O-N 2.99Å; R278-E280 VanDerWaalsContact C-N 3.34Å; R278-L281 PolarHBondContact O-N 3.31Å; R278-E282 PolarHBondContact O-N 3.44Å |
| 279 | Q | 96.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 102.5 Ų | 102.5 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 177.9 | -171.6 | 61.5 | 66.4 | 0 | 0 | 111.6 | L275 D276 L281 E282 N283 | L275-Q279 PolarHBondContact O-N 3.44Å; D276-Q279 PolarHBondContact O-N 2.94Å; D276-Q279 VanDerWaalsContact O-N 3.13Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; Q279-E282 PolarHBondContact O-N 2.91Å; Q279-N283 PolarHBondContact NE2-OD1 2.82Å; Q279-N283 WeakPolarHBondContact O-CB 3.48Å; Q279-N283 PolarHBondContact O-N 2.77Å; Q279-N283 PolarHBondContact O-ND2 3.01Å; Q279-N283 PolarHBondContact O-OD1 3.49Å |
| 280 | E | 93.9 | Very high | 94.3 | Very high | 125 Ų | 125 | 103.1 Ų | 103.1 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 172.1 | -73.2 | 177.6 | 175.3 | 0 | 0 | 111.3 | D276 R278 N283 M284 | D276-E280 WeakPolarHBondContact O-CG 3.39Å; D276-E280 PolarHBondContact O-N 3.4Å; R278-E280 VanDerWaalsContact C-N 3.34Å; E280-N283 PolarHBondContact O-N 3.35Å; E280-M284 WeakPolarHBondContact O-CB 3.31Å; E280-M284 VanDerWaalsContact O-CG 3.24Å; E280-M284 WeakPolarHBondContact O-CG 3.46Å; E280-M284 PolarHBondContact O-N 3.43Å |
| 281 | L | 89.6 | Confident | 94.3 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 177.1 | -172.1 | 131.3 | 0 | 0 | 0 | 112 | T277 R278 Q279 N283 M284 E285 | T277-L281 WeakPolarHBondContact O-CB 3.33Å; T277-L281 PolarHBondContact O-N 2.91Å; R278-L281 PolarHBondContact O-N 3.31Å; Q279-L281 VanDerWaalsContact C-N 3.34Å; L281-N283 VanDerWaalsContact C-N 3.32Å; L281-N283 PolarHBondContact O-N 2.93Å; L281-M284 PolarHBondContact O-N 2.97Å; L281-E285 HydrophobicContact CD2-CG 4.45Å; L281-E285 WeakPolarHBondContact O-CG 3.28Å; L281-E285 PolarHBondContact O-N 2.9Å |
| 282 | E | 96.1 | Very high | 94.4 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 174 | -75.2 | -179.7 | -173 | 0 | 0 | 111.9 | R278 Q279 M284 E285 V286 | R278-E282 PolarHBondContact O-N 3.44Å; Q279-E282 PolarHBondContact O-N 2.91Å; E282-M284 VanDerWaalsContact C-N 3.34Å; E282-M284 PolarHBondContact O-N 3.46Å; E282-E285 PolarHBondContact O-N 3.33Å; E282-V286 WeakPolarHBondContact O-CG2 3.39Å; E282-V286 PolarHBondContact O-N 3.44Å |
| 283 | N | 95 | Very high | 94.5 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 175.8 | -69.2 | -17.6 | 0 | 0 | 0 | 111.3 | Q279 E280 L281 V286 E287 | Q279-N283 PolarHBondContact NE2-OD1 2.82Å; Q279-N283 WeakPolarHBondContact O-CB 3.48Å; Q279-N283 PolarHBondContact O-N 2.77Å; Q279-N283 PolarHBondContact O-ND2 3.01Å; Q279-N283 PolarHBondContact O-OD1 3.49Å; E280-N283 PolarHBondContact O-N 3.35Å; L281-N283 VanDerWaalsContact C-N 3.32Å; L281-N283 PolarHBondContact O-N 2.93Å; N283-V286 PolarHBondContact O-N 3.23Å; N283-E287 WeakPolarHBondContact O-CB 3.32Å; N283-E287 PolarHBondContact O-N 3.29Å |
| 284 | M | 93.6 | Very high | 94.6 | Very high | 134 Ų | 134 | 103.4 Ų | 103.4 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -35.4 | 176.5 | -69 | -61.2 | -73.2 | 0 | 0 | 112.2 | E280 L281 E282 E287 L288 | E280-M284 WeakPolarHBondContact O-CB 3.31Å; E280-M284 VanDerWaalsContact O-CG 3.24Å; E280-M284 WeakPolarHBondContact O-CG 3.46Å; E280-M284 PolarHBondContact O-N 3.43Å; L281-M284 PolarHBondContact O-N 2.97Å; E282-M284 VanDerWaalsContact C-N 3.34Å; E282-M284 PolarHBondContact O-N 3.46Å; M284-E287 PolarHBondContact O-N 2.87Å; M284-L288 VanDerWaalsContact O-CB 3.26Å; M284-L288 WeakPolarHBondContact O-CB 3.31Å; M284-L288 PolarHBondContact O-N 3.28Å |
| 285 | E | 94.8 | Very high | 94.5 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 173.5 | -76.5 | -174.8 | -179.6 | 0 | 0 | 112.5 | L281 E282 L288 K289 | L281-E285 HydrophobicContact CD2-CG 4.45Å; L281-E285 WeakPolarHBondContact O-CG 3.28Å; L281-E285 PolarHBondContact O-N 2.9Å; E282-E285 PolarHBondContact O-N 3.33Å; E285-L288 PolarHBondContact O-N 3.45Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 2.96Å |
| 286 | V | 97.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 106 Ų | 106 | 58% | 0.582 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -44.8 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | E282 N283 L288 K289 R290 | E282-V286 WeakPolarHBondContact O-CG2 3.39Å; E282-V286 PolarHBondContact O-N 3.44Å; N283-V286 PolarHBondContact O-N 3.23Å; V286-L288 VanDerWaalsContact C-N 3.34Å; V286-L288 PolarHBondContact O-N 2.69Å; V286-K289 PolarHBondContact O-N 2.71Å; V286-R290 PolarHBondContact O-N 3.42Å |
| 287 | E | 95.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 106.9 Ų | 106.9 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 178.2 | -171.1 | 61.3 | -166.5 | 0 | 0 | 111.8 | N283 M284 R290 I291 | N283-E287 WeakPolarHBondContact O-CB 3.32Å; N283-E287 PolarHBondContact O-N 3.29Å; M284-E287 PolarHBondContact O-N 2.87Å; E287-R290 VanDerWaalsContact CD-NE 3.3Å; E287-R290 WeakPolarHBondContact O-CB 3.5Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 3.49Å; E287-R290 VanDerWaalsContact OE1-CZ 3.24Å; E287-R290 IonicContact OE1-NE 3.9Å; E287-R290 PolarHBondContact OE1-NE 3.19Å; E287-R290 IonicContact OE1-NH2 3.98Å; E287-R290 PolarHBondContact OE1-NH2 3.33Å; E287-R290 IonicContact OE2-CZ 3.51Å; E287-R290 IonicContact OE2-NE 3Å; E287-R290 PolarHBondContact OE2-NE 3.45Å; E287-I291 HydrophobicContact CG-CD1 4.14Å; E287-I291 WeakPolarHBondContact O-CG1 3.48Å; E287-I291 PolarHBondContact O-N 2.75Å |
| 288 | L | 92 | Very high | 94.6 | Very high | 95 Ų | 95 | 108.8 Ų | 108.8 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 174.5 | -173.5 | 151.6 | 0 | 0 | 0 | 111.4 | M284 E285 V286 R290 I291 Q292 | M284-L288 VanDerWaalsContact O-CB 3.26Å; M284-L288 WeakPolarHBondContact O-CB 3.31Å; M284-L288 PolarHBondContact O-N 3.28Å; E285-L288 PolarHBondContact O-N 3.45Å; V286-L288 VanDerWaalsContact C-N 3.34Å; V286-L288 PolarHBondContact O-N 2.69Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 3.43Å; L288-I291 PolarHBondContact O-N 2.85Å; L288-Q292 VanDerWaalsContact CD2-CD 3.47Å; L288-Q292 HydrophobicContact CD2-CG 4.11Å; L288-Q292 VanDerWaalsContact CD2-NE2 3.32Å; L288-Q292 WeakPolarHBondContact O-CB 3.45Å; L288-Q292 VanDerWaalsContact O-CG 3.3Å; L288-Q292 WeakPolarHBondContact O-CG 3.3Å; L288-Q292 PolarHBondContact O-N 2.8Å |
| 289 | K | 95.8 | Very high | 94.5 | Very high | 119 Ų | 119 | 105.3 Ų | 105.3 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 174.4 | -74.9 | 172.3 | -176.6 | 163.8 | 0 | 111.9 | E285 V286 Q292 Q293 | E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 2.96Å; V286-K289 PolarHBondContact O-N 2.71Å; K289-Q292 PolarHBondContact O-N 3.21Å; K289-Q293 WeakPolarHBondContact O-CG 3.46Å; K289-Q293 PolarHBondContact O-N 3.48Å |
| 290 | R | 97.8 | Very high | 94.5 | Very high | 97 Ų | 97 | 103.9 Ų | 103.9 | 37% | 0.366 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 175.3 | -169.3 | -170.9 | 74 | 71 | 10.2 | 110.9 | V286 E287 L288 Q292 Q293 E294 | V286-R290 PolarHBondContact O-N 3.42Å; E287-R290 VanDerWaalsContact CD-NE 3.3Å; E287-R290 WeakPolarHBondContact O-CB 3.5Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 3.49Å; E287-R290 VanDerWaalsContact OE1-CZ 3.24Å; E287-R290 IonicContact OE1-NE 3.9Å; E287-R290 PolarHBondContact OE1-NE 3.19Å; E287-R290 IonicContact OE1-NH2 3.98Å; E287-R290 PolarHBondContact OE1-NH2 3.33Å; E287-R290 IonicContact OE2-CZ 3.51Å; E287-R290 IonicContact OE2-NE 3Å; E287-R290 PolarHBondContact OE2-NE 3.45Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 3.43Å; R290-Q292 VanDerWaalsContact C-N 3.32Å; R290-Q292 PolarHBondContact O-N 3.08Å; R290-Q293 PolarHBondContact O-N 3.4Å; R290-E294 IonicContact CZ-OE1 2.62Å; R290-E294 IonicContact CZ-OE2 3.27Å; R290-E294 IonicContact NH1-OE1 3.04Å; R290-E294 PolarHBondContact NH1-OE1 2.92Å; R290-E294 IonicContact NH1-OE2 3.83Å; R290-E294 PolarHBondContact NH1-OE2 2.94Å; R290-E294 IonicContact NH2-OE2 3.28Å; R290-E294 WeakPolarHBondContact O-CG 3.48Å; R290-E294 PolarHBondContact O-N 2.88Å |
| 291 | I | 93.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 101.4 Ų | 101.4 | 46% | 0.456 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 178.2 | -67.4 | 168.8 | 0 | 0 | 0 | 111.2 | E287 L288 E294 S295 | E287-I291 HydrophobicContact CG-CD1 4.14Å; E287-I291 WeakPolarHBondContact O-CG1 3.48Å; E287-I291 PolarHBondContact O-N 2.75Å; L288-I291 PolarHBondContact O-N 2.85Å; I291-E294 PolarHBondContact O-N 3.29Å; I291-S295 WeakPolarHBondContact O-CB 3.32Å; I291-S295 PolarHBondContact O-N 2.85Å |
| 292 | Q | 93.5 | Very high | 94.6 | Very high | 102 Ų | 102 | 98.8 Ų | 98.8 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174.3 | -78.7 | 179.3 | -15.7 | 0 | 0 | 112 | L288 K289 R290 E294 S295 Y296 | L288-Q292 VanDerWaalsContact CD2-CD 3.47Å; L288-Q292 HydrophobicContact CD2-CG 4.11Å; L288-Q292 VanDerWaalsContact CD2-NE2 3.32Å; L288-Q292 WeakPolarHBondContact O-CB 3.45Å; L288-Q292 VanDerWaalsContact O-CG 3.3Å; L288-Q292 WeakPolarHBondContact O-CG 3.3Å; L288-Q292 PolarHBondContact O-N 2.8Å; K289-Q292 PolarHBondContact O-N 3.21Å; R290-Q292 VanDerWaalsContact C-N 3.32Å; R290-Q292 PolarHBondContact O-N 3.08Å; Q292-E294 VanDerWaalsContact C-N 3.35Å; Q292-S295 WeakPolarHBondContact O-CB 3.4Å; Q292-S295 PolarHBondContact O-N 3.47Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.48Å; Q292-Y296 PolarHBondContact O-N 3.16Å |
| 293 | Q | 96.2 | Very high | 94.5 | Very high | 140 Ų | 140 | 101.3 Ų | 101.3 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 175.6 | -74.5 | 177.3 | -4.7 | 0 | 0 | 111.7 | K289 R290 S295 Y296 Q297 | K289-Q293 WeakPolarHBondContact O-CG 3.46Å; K289-Q293 PolarHBondContact O-N 3.48Å; R290-Q293 PolarHBondContact O-N 3.4Å; Q293-S295 VanDerWaalsContact C-N 3.33Å; Q293-S295 PolarHBondContact O-N 3Å; Q293-Y296 PolarHBondContact O-N 3.46Å; Q293-Q297 PolarHBondContact O-N 3.46Å |
| 294 | E | 95.7 | Very high | 94.5 | Very high | 92 Ų | 92 | 99.2 Ų | 99.2 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 174 | -72.1 | -177.3 | 159.9 | 0 | 0 | 111.9 | R290 I291 Q292 Y296 Q297 L298 | R290-E294 IonicContact CZ-OE1 2.62Å; R290-E294 IonicContact CZ-OE2 3.27Å; R290-E294 IonicContact NH1-OE1 3.04Å; R290-E294 PolarHBondContact NH1-OE1 2.92Å; R290-E294 IonicContact NH1-OE2 3.83Å; R290-E294 PolarHBondContact NH1-OE2 2.94Å; R290-E294 IonicContact NH2-OE2 3.28Å; R290-E294 WeakPolarHBondContact O-CG 3.48Å; R290-E294 PolarHBondContact O-N 2.88Å; I291-E294 PolarHBondContact O-N 3.29Å; Q292-E294 VanDerWaalsContact C-N 3.35Å; E294-Y296 PolarHBondContact O-N 2.73Å; E294-Q297 PolarHBondContact O-N 2.92Å; E294-L298 WeakPolarHBondContact O-CB 3.37Å; E294-L298 VanDerWaalsContact O-CG 3.25Å; E294-L298 WeakPolarHBondContact O-CG 3.38Å; E294-L298 PolarHBondContact O-N 3.12Å |
| 295 | S | 88.9 | Confident | 94.4 | Very high | 76 Ų | 76 | 94.9 Ų | 94.9 | 53% | 0.531 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.4 | -173 | 0 | 0 | 0 | 0 | 112 | I291 Q292 Q293 L298 L299 | I291-S295 WeakPolarHBondContact O-CB 3.32Å; I291-S295 PolarHBondContact O-N 2.85Å; Q292-S295 WeakPolarHBondContact O-CB 3.4Å; Q292-S295 PolarHBondContact O-N 3.47Å; Q293-S295 VanDerWaalsContact C-N 3.33Å; Q293-S295 PolarHBondContact O-N 3Å; S295-L298 PolarHBondContact O-N 3.38Å; S295-L299 WeakPolarHBondContact O-CB 3.47Å; S295-L299 PolarHBondContact O-N 3.4Å |
| 296 | Y | 95.3 | Very high | 94.4 | Very high | 172 Ų | 172 | 96.4 Ų | 96.4 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 174.5 | -80.1 | -64.6 | 0 | 0 | 0 | 112.4 | Q292 Q293 E294 L299 S300 | Q292-Y296 WeakPolarHBondContact O-CD2 3.48Å; Q292-Y296 PolarHBondContact O-N 3.16Å; Q293-Y296 PolarHBondContact O-N 3.46Å; E294-Y296 PolarHBondContact O-N 2.73Å; Y296-L299 PolarHBondContact O-N 2.9Å; Y296-S300 PolarHBondContact O-N 3.49Å |
| 297 | Q | 96.4 | Very high | 94.3 | Very high | 109 Ų | 109 | 94 Ų | 94 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 177.1 | -172.6 | 59 | 44.6 | 0 | 0 | 111.1 | Q293 E294 L299 S300 D301 | Q293-Q297 PolarHBondContact O-N 3.46Å; E294-Q297 PolarHBondContact O-N 2.92Å; Q297-L299 VanDerWaalsContact C-N 3.26Å; Q297-L299 PolarHBondContact O-N 3.17Å; Q297-S300 WeakPolarHBondContact O-CA 3.48Å; Q297-S300 WeakPolarHBondContact O-CB 3.46Å; Q297-S300 PolarHBondContact O-N 2.95Å; Q297-D301 PolarHBondContact NE2-OD1 3.49Å; Q297-D301 VanDerWaalsContact O-CG 3.27Å; Q297-D301 PolarHBondContact O-N 3.27Å |
| 298 | L | 93.6 | Very high | 94.2 | Very high | 117 Ų | 117 | 97.2 Ų | 97.2 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.3 | -35.5 | 176.4 | -70.3 | 167.7 | 0 | 0 | 0 | 111.9 | E294 S295 D301 A302 | E294-L298 WeakPolarHBondContact O-CB 3.37Å; E294-L298 VanDerWaalsContact O-CG 3.25Å; E294-L298 WeakPolarHBondContact O-CG 3.38Å; E294-L298 PolarHBondContact O-N 3.12Å; S295-L298 PolarHBondContact O-N 3.38Å; L298-D301 PolarHBondContact O-N 3.49Å; L298-A302 VanDerWaalsContact O-CB 3.28Å; L298-A302 WeakPolarHBondContact O-CB 3.33Å; L298-A302 PolarHBondContact O-N 3.19Å |
| 299 | L | 93.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 99.6 Ų | 99.6 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 174.1 | -174 | 70.3 | 0 | 0 | 0 | 111.8 | S295 Y296 Q297 A302 R303 | S295-L299 WeakPolarHBondContact O-CB 3.47Å; S295-L299 PolarHBondContact O-N 3.4Å; Y296-L299 PolarHBondContact O-N 2.9Å; Q297-L299 VanDerWaalsContact C-N 3.26Å; Q297-L299 PolarHBondContact O-N 3.17Å; L299-A302 PolarHBondContact O-N 3.04Å; L299-R303 WeakPolarHBondContact O-CG 3.42Å; L299-R303 PolarHBondContact O-N 3.34Å; L299-R303 VanDerWaalsContact O-N 3.09Å |
| 300 | S | 96.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 99.1 Ų | 99.1 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 174.3 | -173.3 | 0 | 0 | 0 | 0 | 111 | Y296 Q297 A302 R303 S304 | Y296-S300 PolarHBondContact O-N 3.49Å; Q297-S300 WeakPolarHBondContact O-CA 3.48Å; Q297-S300 WeakPolarHBondContact O-CB 3.46Å; Q297-S300 PolarHBondContact O-N 2.95Å; S300-A302 VanDerWaalsContact C-N 3.32Å; S300-A302 PolarHBondContact O-N 3.4Å; S300-R303 WeakPolarHBondContact O-CA 3.19Å; S300-R303 WeakPolarHBondContact O-CB 3.32Å; S300-R303 PolarHBondContact O-N 3.45Å; S300-S304 PolarHBondContact O-N 2.93Å |
| 301 | D | 95.4 | Very high | 94.1 | Very high | 74 Ų | 74 | 99.9 Ų | 99.9 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 177.9 | -63.6 | -12.1 | 0 | 0 | 0 | 111.6 | Q297 L298 R303 S304 A305 | Q297-D301 PolarHBondContact NE2-OD1 3.49Å; Q297-D301 VanDerWaalsContact O-CG 3.27Å; Q297-D301 PolarHBondContact O-N 3.27Å; L298-D301 PolarHBondContact O-N 3.49Å; D301-R303 VanDerWaalsContact C-N 3.28Å; D301-R303 PolarHBondContact O-N 2.8Å; D301-S304 WeakPolarHBondContact CA-OG 3.01Å; D301-S304 PolarHBondContact O-N 3.46Å; D301-S304 PolarHBondContact O-OG 3.16Å; D301-A305 VanDerWaalsContact O-CB 3.24Å; D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 3.38Å |
| 302 | A | 90.1 | Very high | 94.1 | Very high | 46 Ų | 46 | 100.1 Ų | 100.1 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -26.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L298 L299 S300 R306 | L298-A302 VanDerWaalsContact O-CB 3.28Å; L298-A302 WeakPolarHBondContact O-CB 3.33Å; L298-A302 PolarHBondContact O-N 3.19Å; L299-A302 PolarHBondContact O-N 3.04Å; S300-A302 VanDerWaalsContact C-N 3.32Å; S300-A302 PolarHBondContact O-N 3.4Å; A302-R306 PolarHBondContact O-N 3Å; A302-R306 PolarHBondContact O-NE 3.49Å |
| 303 | R | 95.7 | Very high | 94.1 | Very high | 157 Ų | 157 | 99 Ų | 99 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -75.7 | -45.4 | 172.4 | -72.1 | 174.8 | -171.9 | -152.4 | 2.5 | 111 | L299 S300 D301 A305 R306 A307 | L299-R303 WeakPolarHBondContact O-CG 3.42Å; L299-R303 PolarHBondContact O-N 3.34Å; L299-R303 VanDerWaalsContact O-N 3.09Å; S300-R303 WeakPolarHBondContact O-CA 3.19Å; S300-R303 WeakPolarHBondContact O-CB 3.32Å; S300-R303 PolarHBondContact O-N 3.45Å; D301-R303 VanDerWaalsContact C-N 3.28Å; D301-R303 PolarHBondContact O-N 2.8Å; R303-A305 PolarHBondContact O-N 3.41Å; R303-R306 WeakPolarHBondContact O-CB 3.38Å; R303-R306 PolarHBondContact O-N 3.4Å; R303-R306 VanDerWaalsContact O-N 3.13Å; R303-A307 PolarHBondContact O-N 2.95Å |
| 304 | S | 94.6 | Very high | 94 | Very high | 49 Ų | 49 | 94.5 Ų | 94.5 | 34% | 0.343 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 176.5 | 63 | 0 | 0 | 0 | 0 | 111.8 | S300 D301 R306 A307 Y308 | S300-S304 PolarHBondContact O-N 2.93Å; D301-S304 WeakPolarHBondContact CA-OG 3.01Å; D301-S304 PolarHBondContact O-N 3.46Å; D301-S304 PolarHBondContact O-OG 3.16Å; S304-R306 PolarHBondContact O-N 2.85Å; S304-A307 PolarHBondContact O-N 3.45Å; S304-A307 VanDerWaalsContact O-N 3.14Å; S304-Y308 VanDerWaalsContact O-CD2 3.27Å; S304-Y308 WeakPolarHBondContact O-CD2 3.44Å; S304-Y308 PolarHBondContact O-N 2.77Å |
| 305 | A | 92 | Very high | 93.9 | Very high | 44 Ų | 44 | 94.9 Ų | 94.9 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -25.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D301 R303 R309 | D301-A305 VanDerWaalsContact O-CB 3.24Å; D301-A305 WeakPolarHBondContact O-CB 3.46Å; D301-A305 PolarHBondContact O-N 3.38Å; R303-A305 PolarHBondContact O-N 3.41Å; A305-R309 WeakPolarHBondContact O-CG 3.31Å; A305-R309 PolarHBondContact O-N 2.82Å; A305-R309 PolarHBondContact O-NE 2.95Å |
| 306 | R | 94.9 | Very high | 94.2 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.9 | -49.2 | 168.9 | -85.5 | -177.2 | -77.1 | -178.6 | -3.3 | 111.2 | A302 R303 S304 Y308 R309 D310 | A302-R306 PolarHBondContact O-N 3Å; A302-R306 PolarHBondContact O-NE 3.49Å; R303-R306 WeakPolarHBondContact O-CB 3.38Å; R303-R306 PolarHBondContact O-N 3.4Å; R303-R306 VanDerWaalsContact O-N 3.13Å; S304-R306 PolarHBondContact O-N 2.85Å; R306-Y308 VanDerWaalsContact C-N 3.29Å; R306-Y308 PolarHBondContact O-N 3.11Å; R306-R309 VanDerWaalsContact CG-NH2 3.32Å; R306-R309 WeakPolarHBondContact O-CA 3.4Å; R306-R309 WeakPolarHBondContact O-CB 3.01Å; R306-R309 PolarHBondContact O-N 2.98Å; R306-D310 PolarHBondContact O-N 3.41Å |
| 307 | A | 93.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 96.6 Ų | 96.6 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R303 S304 R309 D310 E311 | R303-A307 PolarHBondContact O-N 2.95Å; S304-A307 PolarHBondContact O-N 3.45Å; S304-A307 VanDerWaalsContact O-N 3.14Å; A307-R309 VanDerWaalsContact C-N 3.32Å; A307-R309 PolarHBondContact O-N 3.31Å; A307-D310 PolarHBondContact O-N 2.93Å; A307-E311 WeakPolarHBondContact O-CG 3.47Å; A307-E311 PolarHBondContact O-N 3.32Å |
| 308 | Y | 94 | Very high | 94.2 | Very high | 146 Ų | 146 | 97.7 Ų | 97.7 | 57% | 0.573 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.1 | -31.3 | 175.7 | -67.9 | -44.8 | 0 | 0 | 0 | 113.7 | S304 R306 L312 | S304-Y308 VanDerWaalsContact O-CD2 3.27Å; S304-Y308 WeakPolarHBondContact O-CD2 3.44Å; S304-Y308 PolarHBondContact O-N 2.77Å; R306-Y308 VanDerWaalsContact C-N 3.29Å; R306-Y308 PolarHBondContact O-N 3.11Å; Y308-L312 WeakPolarHBondContact O-CB 3.41Å; Y308-L312 VanDerWaalsContact O-CG 3.25Å; Y308-L312 WeakPolarHBondContact O-CG 3.49Å; Y308-L312 PolarHBondContact O-N 2.97Å |
| 309 | R | 95.2 | Very high | 94.1 | Very high | 144 Ų | 144 | 94.5 Ų | 94.5 | 54% | 0.543 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 172.6 | -81.3 | -175.9 | -70.8 | -171.4 | -0.4 | 111.2 | A305 R306 A307 E311 L312 D313 | A305-R309 WeakPolarHBondContact O-CG 3.31Å; A305-R309 PolarHBondContact O-N 2.82Å; A305-R309 PolarHBondContact O-NE 2.95Å; R306-R309 VanDerWaalsContact CG-NH2 3.32Å; R306-R309 WeakPolarHBondContact O-CA 3.4Å; R306-R309 WeakPolarHBondContact O-CB 3.01Å; R306-R309 PolarHBondContact O-N 2.98Å; A307-R309 VanDerWaalsContact C-N 3.32Å; A307-R309 PolarHBondContact O-N 3.31Å; R309-E311 VanDerWaalsContact C-N 3.3Å; R309-E311 PolarHBondContact O-N 3.38Å; R309-L312 WeakPolarHBondContact O-CB 3.47Å; R309-L312 PolarHBondContact O-N 3.42Å; R309-L312 VanDerWaalsContact O-N 3.16Å; R309-D313 PolarHBondContact O-N 3.39Å |
| 310 | D | 94.3 | Very high | 94.2 | Very high | 110 Ų | 110 | 95.1 Ų | 95.1 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 177 | -58.9 | -22.2 | 0 | 0 | 0 | 111.1 | R306 A307 D313 A314 | R306-D310 PolarHBondContact O-N 3.41Å; A307-D310 PolarHBondContact O-N 2.93Å; D310-D313 PolarHBondContact O-N 3.01Å; D310-A314 WeakPolarHBondContact O-CB 3.42Å; D310-A314 PolarHBondContact O-N 3.12Å |
| 311 | E | 93.8 | Very high | 94.2 | Very high | 112 Ų | 112 | 99.8 Ų | 99.8 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 173.3 | -74.6 | 179 | -174.1 | 0 | 0 | 112.4 | A307 R309 D313 A314 L315 | A307-E311 WeakPolarHBondContact O-CG 3.47Å; A307-E311 PolarHBondContact O-N 3.32Å; R309-E311 VanDerWaalsContact C-N 3.3Å; R309-E311 PolarHBondContact O-N 3.38Å; E311-D313 VanDerWaalsContact C-N 3.33Å; E311-D313 PolarHBondContact O-N 3.26Å; E311-A314 PolarHBondContact O-N 3.13Å; E311-L315 WeakPolarHBondContact O-CB 3.3Å; E311-L315 VanDerWaalsContact O-CG 3.28Å; E311-L315 WeakPolarHBondContact O-CG 3.25Å; E311-L315 PolarHBondContact O-N 2.92Å |
| 312 | L | 92.8 | Very high | 94.2 | Very high | 94 Ų | 94 | 99.7 Ų | 99.7 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.8 | -78.3 | 171.9 | 0 | 0 | 0 | 111.8 | Y308 R309 L315 R316 | Y308-L312 WeakPolarHBondContact O-CB 3.41Å; Y308-L312 VanDerWaalsContact O-CG 3.25Å; Y308-L312 WeakPolarHBondContact O-CG 3.49Å; Y308-L312 PolarHBondContact O-N 2.97Å; R309-L312 WeakPolarHBondContact O-CB 3.47Å; R309-L312 PolarHBondContact O-N 3.42Å; R309-L312 VanDerWaalsContact O-N 3.16Å; L312-L315 PolarHBondContact O-N 2.9Å; L312-R316 VanDerWaalsContact O-CG 3.27Å; L312-R316 WeakPolarHBondContact O-CG 3.4Å; L312-R316 PolarHBondContact O-N 2.96Å |
| 313 | D | 94.8 | Very high | 94.4 | Very high | 78 Ų | 78 | 102 Ų | 102 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.9 | -70.8 | -22 | 0 | 0 | 0 | 111.2 | R309 D310 E311 L315 R316 E317 | R309-D313 PolarHBondContact O-N 3.39Å; D310-D313 PolarHBondContact O-N 3.01Å; E311-D313 VanDerWaalsContact C-N 3.33Å; E311-D313 PolarHBondContact O-N 3.26Å; D313-L315 VanDerWaalsContact C-N 3.32Å; D313-L315 PolarHBondContact O-N 2.96Å; D313-R316 WeakPolarHBondContact O-CB 3.45Å; D313-R316 PolarHBondContact O-N 3.33Å; D313-R316 IonicContact OD1-CZ 2.62Å; D313-R316 IonicContact OD1-NH1 3.68Å; D313-R316 PolarHBondContact OD1-NH1 3.02Å; D313-E317 PolarHBondContact O-N 3.01Å |
| 314 | A | 93.5 | Very high | 94.4 | Very high | 46 Ų | 46 | 100.9 Ų | 100.9 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D310 E311 K318 | D310-A314 WeakPolarHBondContact O-CB 3.42Å; D310-A314 PolarHBondContact O-N 3.12Å; E311-A314 PolarHBondContact O-N 3.13Å; A314-K318 VanDerWaalsContact O-CG 3.31Å; A314-K318 WeakPolarHBondContact O-CG 3.35Å; A314-K318 PolarHBondContact O-N 3.35Å; A314-K318 VanDerWaalsContact O-N 3.08Å |
| 315 | L | 93.3 | Very high | 94.3 | Very high | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 175 | -72.6 | 173.3 | 0 | 0 | 0 | 112.1 | E311 L312 D313 K318 A319 | E311-L315 WeakPolarHBondContact O-CB 3.3Å; E311-L315 VanDerWaalsContact O-CG 3.28Å; E311-L315 WeakPolarHBondContact O-CG 3.25Å; E311-L315 PolarHBondContact O-N 2.92Å; L312-L315 PolarHBondContact O-N 2.9Å; D313-L315 VanDerWaalsContact C-N 3.32Å; D313-L315 PolarHBondContact O-N 2.96Å; L315-K318 HydrophobicContact CD2-CD 4.43Å; L315-K318 PolarHBondContact O-N 3.36Å; L315-A319 WeakPolarHBondContact O-CB 3.47Å; L315-A319 PolarHBondContact O-N 3.36Å |
| 316 | R | 96.3 | Very high | 94.4 | Very high | 150 Ų | 150 | 106.1 Ų | 106.1 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 173.5 | -75.9 | 167.1 | 176.2 | 166.8 | -4.6 | 111.6 | L312 D313 K318 A319 I320 | L312-R316 VanDerWaalsContact O-CG 3.27Å; L312-R316 WeakPolarHBondContact O-CG 3.4Å; L312-R316 PolarHBondContact O-N 2.96Å; D313-R316 WeakPolarHBondContact O-CB 3.45Å; D313-R316 PolarHBondContact O-N 3.33Å; D313-R316 IonicContact OD1-CZ 2.62Å; D313-R316 IonicContact OD1-NH1 3.68Å; D313-R316 PolarHBondContact OD1-NH1 3.02Å; R316-K318 VanDerWaalsContact C-N 3.3Å; R316-K318 PolarHBondContact O-N 3.31Å; R316-A319 PolarHBondContact O-N 3.19Å; R316-I320 WeakPolarHBondContact O-CG1 3.44Å; R316-I320 PolarHBondContact O-N 2.95Å |
| 317 | E | 95 | Very high | 94.4 | Very high | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -40 | 174.8 | -73.9 | -166.3 | 168.5 | 0 | 0 | 112.2 | D313 I320 R321 | D313-E317 PolarHBondContact O-N 3.01Å; E317-I320 PolarHBondContact O-N 2.96Å; E317-R321 WeakPolarHBondContact O-CB 3.29Å; E317-R321 PolarHBondContact O-N 3.35Å |
| 318 | K | 94.9 | Very high | 94.5 | Very high | 132 Ų | 132 | 105.4 Ų | 105.4 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 173.7 | -75.1 | 173.6 | -177.4 | 176.2 | 0 | 111.6 | A314 L315 R316 R321 V322 | A314-K318 VanDerWaalsContact O-CG 3.31Å; A314-K318 WeakPolarHBondContact O-CG 3.35Å; A314-K318 PolarHBondContact O-N 3.35Å; A314-K318 VanDerWaalsContact O-N 3.08Å; L315-K318 HydrophobicContact CD2-CD 4.43Å; L315-K318 PolarHBondContact O-N 3.36Å; R316-K318 VanDerWaalsContact C-N 3.3Å; R316-K318 PolarHBondContact O-N 3.31Å; K318-R321 WeakPolarHBondContact O-CB 3.4Å; K318-R321 PolarHBondContact O-N 2.83Å; K318-V322 WeakPolarHBondContact O-CG2 3.42Å; K318-V322 PolarHBondContact O-N 3.35Å |
| 319 | A | 92.4 | Very high | 94.5 | Very high | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L315 R316 R321 V322 D323 | L315-A319 WeakPolarHBondContact O-CB 3.47Å; L315-A319 PolarHBondContact O-N 3.36Å; R316-A319 PolarHBondContact O-N 3.19Å; A319-R321 PolarHBondContact O-N 3.3Å; A319-V322 WeakPolarHBondContact O-CA 3.46Å; A319-V322 WeakPolarHBondContact O-CB 3.44Å; A319-V322 PolarHBondContact O-N 2.94Å; A319-D323 PolarHBondContact O-N 3.06Å |
| 320 | I | 94.8 | Very high | 94.5 | Very high | 93 Ų | 93 | 99.7 Ų | 99.7 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -37.2 | 175.4 | -66.4 | 165 | 0 | 0 | 0 | 111.1 | R316 E317 D323 K324 | R316-I320 WeakPolarHBondContact O-CG1 3.44Å; R316-I320 PolarHBondContact O-N 2.95Å; E317-I320 PolarHBondContact O-N 2.96Å; I320-D323 PolarHBondContact O-N 2.94Å; I320-K324 WeakPolarHBondContact O-CG 3.46Å; I320-K324 PolarHBondContact O-N 3.01Å; I320-K324 VanDerWaalsContact O-N 3.15Å |
| 321 | R | 96.4 | Very high | 94.5 | Very high | 163 Ų | 163 | 102.1 Ų | 102.1 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 175.7 | -169.2 | -179.1 | -59.5 | -159.7 | 0.9 | 111.8 | E317 K318 A319 K324 L325 | E317-R321 WeakPolarHBondContact O-CB 3.29Å; E317-R321 PolarHBondContact O-N 3.35Å; K318-R321 WeakPolarHBondContact O-CB 3.4Å; K318-R321 PolarHBondContact O-N 2.83Å; A319-R321 PolarHBondContact O-N 3.3Å; R321-K324 PolarHBondContact O-N 3.26Å; R321-L325 HydrophobicContact CG-CD1 4.38Å; R321-L325 WeakPolarHBondContact O-CG 3.4Å; R321-L325 PolarHBondContact O-N 3.01Å |
| 322 | V | 95.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 103.3 Ų | 103.3 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | K318 A319 K324 L325 E326 | K318-V322 WeakPolarHBondContact O-CG2 3.42Å; K318-V322 PolarHBondContact O-N 3.35Å; A319-V322 WeakPolarHBondContact O-CA 3.46Å; A319-V322 WeakPolarHBondContact O-CB 3.44Å; A319-V322 PolarHBondContact O-N 2.94Å; V322-K324 VanDerWaalsContact C-N 3.25Å; V322-K324 PolarHBondContact O-N 3.48Å; V322-L325 CarbonylContact O-C 3.56Å; V322-L325 PolarHBondContact O-N 3.47Å; V322-E326 HydrophobicContact CG1-CG 4.13Å; V322-E326 WeakPolarHBondContact O-CG 3.34Å; V322-E326 PolarHBondContact O-N 2.82Å |
| 323 | D | 94.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 104.9 Ų | 104.9 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.2 | -38.9 | 178.3 | -66.3 | -15.6 | 0 | 0 | 0 | 112.5 | A319 I320 S327 | A319-D323 PolarHBondContact O-N 3.06Å; I320-D323 PolarHBondContact O-N 2.94Å; D323-S327 WeakPolarHBondContact O-CB 3.43Å; D323-S327 PolarHBondContact O-N 3.45Å; D323-S327 PolarHBondContact O-OG 3.38Å |
| 324 | K | 95.6 | Very high | 94.6 | Very high | 134 Ų | 134 | 107.3 Ų | 107.3 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 174.5 | -73.1 | 176.1 | -178.1 | 180 | 0 | 111.8 | I320 R321 V322 E326 S327 E328 | I320-K324 WeakPolarHBondContact O-CG 3.46Å; I320-K324 PolarHBondContact O-N 3.01Å; I320-K324 VanDerWaalsContact O-N 3.15Å; R321-K324 PolarHBondContact O-N 3.26Å; V322-K324 VanDerWaalsContact C-N 3.25Å; V322-K324 PolarHBondContact O-N 3.48Å; K324-E326 VanDerWaalsContact C-N 3.34Å; K324-S327 WeakPolarHBondContact O-CB 3.5Å; K324-S327 PolarHBondContact O-N 3.35Å; K324-E328 WeakPolarHBondContact O-CG 3.46Å; K324-E328 PolarHBondContact O-N 3.12Å |
| 325 | L | 93.7 | Very high | 94.7 | Very high | 93 Ų | 93 | 112.8 Ų | 112.8 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 177.7 | -70.8 | 171.7 | 0 | 0 | 0 | 111.7 | R321 V322 E328 L329 | R321-L325 HydrophobicContact CG-CD1 4.38Å; R321-L325 WeakPolarHBondContact O-CG 3.4Å; R321-L325 PolarHBondContact O-N 3.01Å; V322-L325 CarbonylContact O-C 3.56Å; V322-L325 PolarHBondContact O-N 3.47Å; L325-E328 PolarHBondContact O-N 3.38Å; L325-L329 WeakPolarHBondContact O-CB 3.4Å; L325-L329 VanDerWaalsContact O-CG 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.39Å; L325-L329 PolarHBondContact O-N 2.96Å |
| 326 | E | 92.8 | Very high | 94.7 | Very high | 110 Ų | 110 | 110.5 Ų | 110.5 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.8 | -73.4 | -175.4 | 171 | 0 | 0 | 111.6 | V322 K324 L329 C330 | V322-E326 HydrophobicContact CG1-CG 4.13Å; V322-E326 WeakPolarHBondContact O-CG 3.34Å; V322-E326 PolarHBondContact O-N 2.82Å; K324-E326 VanDerWaalsContact C-N 3.34Å; E326-L329 PolarHBondContact O-N 3.29Å; E326-C330 PolarHBondContact O-N 3.09Å; E326-C330 PolarHBondContact O-SG 3.29Å |
| 327 | S | 95.2 | Very high | 94.6 | Very high | 68 Ų | 68 | 109.7 Ų | 109.7 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 112 | D323 K324 C330 R331 | D323-S327 WeakPolarHBondContact O-CB 3.43Å; D323-S327 PolarHBondContact O-N 3.45Å; D323-S327 PolarHBondContact O-OG 3.38Å; K324-S327 WeakPolarHBondContact O-CB 3.5Å; K324-S327 PolarHBondContact O-N 3.35Å; S327-C330 PolarHBondContact O-N 3.29Å; S327-R331 WeakPolarHBondContact O-CG 3.2Å; S327-R331 PolarHBondContact O-N 2.89Å; S327-R331 VanDerWaalsContact O-N 3.14Å |
| 328 | E | 95.8 | Very high | 94.6 | Very high | 90 Ų | 90 | 107.7 Ų | 107.7 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 173.8 | -73.2 | 175.8 | -177.2 | 0 | 0 | 111.9 | K324 L325 C330 R331 Y332 | K324-E328 WeakPolarHBondContact O-CG 3.46Å; K324-E328 PolarHBondContact O-N 3.12Å; L325-E328 PolarHBondContact O-N 3.38Å; E328-C330 VanDerWaalsContact C-N 3.32Å; E328-C330 PolarHBondContact O-N 2.92Å; E328-R331 WeakPolarHBondContact O-CB 3.5Å; E328-R331 PolarHBondContact O-N 3.44Å; E328-R331 VanDerWaalsContact O-N 3.15Å; E328-Y332 HydrophobicContact CB-CE2 4.33Å; E328-Y332 WeakPolarHBondContact O-CD2 3.36Å; E328-Y332 PolarHBondContact O-N 3.41Å |
| 329 | L | 93.8 | Very high | 94.6 | Very high | 103 Ų | 103 | 105.9 Ų | 105.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 173.7 | -77.6 | 172.1 | 0 | 0 | 0 | 111.9 | L325 E326 Y332 K333 | L325-L329 WeakPolarHBondContact O-CB 3.4Å; L325-L329 VanDerWaalsContact O-CG 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.39Å; L325-L329 PolarHBondContact O-N 2.96Å; E326-L329 PolarHBondContact O-N 3.29Å; L329-Y332 PolarHBondContact O-N 2.93Å; L329-K333 WeakPolarHBondContact O-CG 3.39Å; L329-K333 PolarHBondContact O-N 2.91Å |
| 330 | C | 95.1 | Very high | 94.5 | Very high | 67 Ų | 67 | 106.1 Ų | 106.1 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 173.4 | -77.2 | 0 | 0 | 0 | 0 | 111.8 | E326 S327 E328 Y332 K333 E334 | E326-C330 PolarHBondContact O-N 3.09Å; E326-C330 PolarHBondContact O-SG 3.29Å; S327-C330 PolarHBondContact O-N 3.29Å; E328-C330 VanDerWaalsContact C-N 3.32Å; E328-C330 PolarHBondContact O-N 2.92Å; C330-Y332 PolarHBondContact O-N 3.37Å; C330-K333 WeakPolarHBondContact O-CB 3.43Å; C330-K333 PolarHBondContact O-N 3.15Å; C330-E334 PolarHBondContact O-N 3.01Å |
| 331 | R | 95 | Very high | 94.6 | Very high | 162 Ų | 162 | 108.1 Ų | 108.1 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -38.9 | 174.7 | -68.7 | 176.8 | -177.7 | 169.4 | 1.5 | 112.6 | S327 E328 K333 E334 R335 | S327-R331 WeakPolarHBondContact O-CG 3.2Å; S327-R331 PolarHBondContact O-N 2.89Å; S327-R331 VanDerWaalsContact O-N 3.14Å; E328-R331 WeakPolarHBondContact O-CB 3.5Å; E328-R331 PolarHBondContact O-N 3.44Å; E328-R331 VanDerWaalsContact O-N 3.15Å; R331-K333 VanDerWaalsContact C-N 3.34Å; R331-E334 PolarHBondContact O-N 3.36Å; R331-R335 WeakPolarHBondContact O-CG 3.29Å; R331-R335 PolarHBondContact O-N 3.28Å |
| 332 | Y | 94.8 | Very high | 94.6 | Very high | 136 Ų | 136 | 107.6 Ų | 107.6 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 175.4 | -70.3 | -49.4 | 0 | 0 | 0 | 112 | E328 L329 C330 R335 L336 | E328-Y332 HydrophobicContact CB-CE2 4.33Å; E328-Y332 WeakPolarHBondContact O-CD2 3.36Å; E328-Y332 PolarHBondContact O-N 3.41Å; L329-Y332 PolarHBondContact O-N 2.93Å; C330-Y332 PolarHBondContact O-N 3.37Å; Y332-R335 PolarHBondContact O-N 3.01Å; Y332-L336 WeakPolarHBondContact O-CB 3.41Å; Y332-L336 PolarHBondContact O-N 2.96Å |
| 333 | K | 94.8 | Very high | 94.7 | Very high | 128 Ų | 128 | 107.9 Ų | 107.9 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -49.3 | 170.5 | -74.3 | 173.3 | -179 | 176.7 | 0 | 110.7 | L329 C330 R331 R335 L336 H337 | L329-K333 WeakPolarHBondContact O-CG 3.39Å; L329-K333 PolarHBondContact O-N 2.91Å; C330-K333 WeakPolarHBondContact O-CB 3.43Å; C330-K333 PolarHBondContact O-N 3.15Å; R331-K333 VanDerWaalsContact C-N 3.34Å; K333-R335 VanDerWaalsContact C-N 3.34Å; K333-R335 PolarHBondContact O-N 3.49Å; K333-L336 WeakPolarHBondContact O-CB 3.45Å; K333-L336 PolarHBondContact O-N 2.83Å; K333-L336 VanDerWaalsContact O-N 3.09Å; K333-H337 PolarHBondContact O-N 3.49Å; K333-H337 PolarHBondContact O-ND1 2.75Å |
| 334 | E | 94.6 | Very high | 94.6 | Very high | 128 Ų | 128 | 106.4 Ų | 106.4 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.4 | -47.5 | 177.2 | -71.1 | 171.5 | 175.6 | 0 | 0 | 111.7 | C330 R331 L336 H337 D338 | C330-E334 PolarHBondContact O-N 3.01Å; R331-E334 PolarHBondContact O-N 3.36Å; E334-L336 VanDerWaalsContact C-N 3.26Å; E334-L336 PolarHBondContact O-N 3.06Å; E334-H337 WeakPolarHBondContact O-CB 3.46Å; E334-H337 PolarHBondContact O-N 3.34Å; E334-H337 VanDerWaalsContact O-N 3.1Å; E334-D338 PolarHBondContact O-N 3.23Å; E334-D338 VanDerWaalsContact O-N 3.07Å |
| 335 | R | 95.3 | Very high | 94.6 | Very high | 161 Ų | 161 | 105.6 Ų | 105.6 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.3 | -35.1 | 175.4 | -72.1 | -179.6 | -180 | -175.7 | 0.6 | 113.3 | R331 Y332 K333 D338 I339 | R331-R335 WeakPolarHBondContact O-CG 3.29Å; R331-R335 PolarHBondContact O-N 3.28Å; Y332-R335 PolarHBondContact O-N 3.01Å; K333-R335 VanDerWaalsContact C-N 3.34Å; K333-R335 PolarHBondContact O-N 3.49Å; R335-D338 PolarHBondContact O-N 3.35Å; R335-I339 WeakPolarHBondContact O-CG1 3.31Å; R335-I339 PolarHBondContact O-N 3.41Å |
| 336 | L | 93.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 104.5 Ų | 104.5 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.8 | -173.5 | 66 | 0 | 0 | 0 | 111.1 | Y332 K333 E334 D338 I339 D340 E532 | Y332-L336 WeakPolarHBondContact O-CB 3.41Å; Y332-L336 PolarHBondContact O-N 2.96Å; K333-L336 WeakPolarHBondContact O-CB 3.45Å; K333-L336 PolarHBondContact O-N 2.83Å; K333-L336 VanDerWaalsContact O-N 3.09Å; E334-L336 VanDerWaalsContact C-N 3.26Å; E334-L336 PolarHBondContact O-N 3.06Å; L336-D338 VanDerWaalsContact C-N 3.27Å; L336-D338 PolarHBondContact O-N 3.46Å; L336-I339 PolarHBondContact O-N 2.9Å; L336-I339 VanDerWaalsContact O-N 3.15Å; L336-D340 PolarHBondContact O-N 2.99Å; L336-E532 VanDerWaalsContact CD1-OE1 3.32Å; L336-E532 WeakPolarHBondContact CD1-OE1 3.5Å |
| 337 | H | 93.6 | Very high | 94.8 | Very high | 133 Ų | 133 | 103 Ų | 103 | 62% | 0.616 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.6 | -40.8 | 173.6 | -68.6 | 79.1 | 0 | 0 | 0 | 111.2 | K333 E334 D340 F341 | K333-H337 PolarHBondContact O-N 3.49Å; K333-H337 PolarHBondContact O-ND1 2.75Å; E334-H337 WeakPolarHBondContact O-CB 3.46Å; E334-H337 PolarHBondContact O-N 3.34Å; E334-H337 VanDerWaalsContact O-N 3.1Å; H337-D340 PolarHBondContact O-N 3.44Å; H337-F341 WeakPolarHBondContact O-CB 3.48Å; H337-F341 PolarHBondContact O-N 3.01Å |
| 338 | D | 95.5 | Very high | 94.7 | Very high | 92 Ų | 92 | 104 Ų | 104 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.7 | -66.4 | -25.6 | 0 | 0 | 0 | 111.7 | E334 R335 L336 F341 Y342 | E334-D338 PolarHBondContact O-N 3.23Å; E334-D338 VanDerWaalsContact O-N 3.07Å; R335-D338 PolarHBondContact O-N 3.35Å; L336-D338 VanDerWaalsContact C-N 3.27Å; L336-D338 PolarHBondContact O-N 3.46Å; D338-F341 WeakPolarHBondContact O-CB 3.47Å; D338-F341 PolarHBondContact O-N 3.48Å; D338-Y342 HydrophobicContact CB-CE2 4.46Å; D338-Y342 WeakPolarHBondContact O-CD2 3.43Å; D338-Y342 PolarHBondContact O-N 3Å |
| 339 | I | 94.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.7 | -69.9 | 166.9 | 0 | 0 | 0 | 110.8 | R335 L336 F341 Y342 K343 | R335-I339 WeakPolarHBondContact O-CG1 3.31Å; R335-I339 PolarHBondContact O-N 3.41Å; L336-I339 PolarHBondContact O-N 2.9Å; L336-I339 VanDerWaalsContact O-N 3.15Å; I339-F341 VanDerWaalsContact C-N 3.34Å; I339-F341 PolarHBondContact O-N 3.3Å; I339-Y342 PolarHBondContact O-N 2.94Å; I339-K343 VanDerWaalsContact O-CB 3.31Å; I339-K343 WeakPolarHBondContact O-CB 3.45Å; I339-K343 PolarHBondContact O-N 3.24Å |
| 340 | D | 91.1 | Very high | 94.8 | Very high | 55 Ų | 55 | 103.8 Ų | 103.8 | 29% | 0.294 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 177.9 | -78.4 | -26.6 | 0 | 0 | 0 | 111.8 | L336 H337 K343 A344 | L336-D340 PolarHBondContact O-N 2.99Å; H337-D340 PolarHBondContact O-N 3.44Å; D340-K343 PolarHBondContact O-N 3.3Å; D340-A344 WeakPolarHBondContact O-CB 3.31Å; D340-A344 PolarHBondContact O-N 3.17Å |
| 341 | F | 96.3 | Very high | 94.8 | Very high | 135 Ų | 135 | 106.6 Ų | 106.6 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.5 | -49.7 | 173.5 | 173.1 | -94.8 | 0 | 0 | 0 | 111.5 | H337 D338 I339 K343 A344 R345 | H337-F341 WeakPolarHBondContact O-CB 3.48Å; H337-F341 PolarHBondContact O-N 3.01Å; D338-F341 WeakPolarHBondContact O-CB 3.47Å; D338-F341 PolarHBondContact O-N 3.48Å; I339-F341 VanDerWaalsContact C-N 3.34Å; I339-F341 PolarHBondContact O-N 3.3Å; F341-K343 PolarHBondContact O-N 2.79Å; F341-A344 PolarHBondContact O-N 2.99Å; F341-R345 PolarHBondContact O-N 3.27Å |
| 342 | Y | 97.1 | Very high | 94.8 | Very high | 151 Ų | 151 | 102.6 Ų | 102.6 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.2 | -34.8 | 179.1 | -70.7 | -58 | 0 | 0 | 0 | 112.9 | D338 I339 R345 V346 | D338-Y342 HydrophobicContact CB-CE2 4.46Å; D338-Y342 WeakPolarHBondContact O-CD2 3.43Å; D338-Y342 PolarHBondContact O-N 3Å; I339-Y342 PolarHBondContact O-N 2.94Å; Y342-R345 PolarHBondContact O-N 3.19Å; Y342-V346 VanDerWaalsContact O-CG2 3.31Å; Y342-V346 WeakPolarHBondContact O-CG2 3.26Å; Y342-V346 PolarHBondContact O-N 3.07Å |
| 343 | K | 95.8 | Very high | 94.8 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 34% | 0.339 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 176.1 | -172.8 | 179.4 | -179.2 | -178.4 | 0 | 111.4 | I339 D340 F341 R345 V346 E347 | I339-K343 VanDerWaalsContact O-CB 3.31Å; I339-K343 WeakPolarHBondContact O-CB 3.45Å; I339-K343 PolarHBondContact O-N 3.24Å; D340-K343 PolarHBondContact O-N 3.3Å; F341-K343 PolarHBondContact O-N 2.79Å; K343-R345 VanDerWaalsContact C-N 3.26Å; K343-R345 PolarHBondContact O-N 3.16Å; K343-V346 PolarHBondContact O-N 3.45Å; K343-V346 VanDerWaalsContact O-N 3.13Å; K343-E347 PolarHBondContact O-N 2.7Å |
| 344 | A | 93.2 | Very high | 94.9 | Very high | 62 Ų | 62 | 99.2 Ų | 99.2 | 51% | 0.512 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | D340 F341 V346 E347 E348 | D340-A344 WeakPolarHBondContact O-CB 3.31Å; D340-A344 PolarHBondContact O-N 3.17Å; F341-A344 PolarHBondContact O-N 2.99Å; A344-V346 VanDerWaalsContact C-N 3.33Å; A344-V346 PolarHBondContact O-N 3.22Å; A344-E347 PolarHBondContact O-N 3.32Å; A344-E348 WeakPolarHBondContact O-CB 3.37Å; A344-E348 PolarHBondContact O-N 3.31Å |
| 345 | R | 96.6 | Very high | 95 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 176.2 | -173.9 | 56.9 | 175.9 | 167.3 | 4.2 | 113.1 | F341 Y342 K343 E348 L349 | F341-R345 PolarHBondContact O-N 3.27Å; Y342-R345 PolarHBondContact O-N 3.19Å; K343-R345 VanDerWaalsContact C-N 3.26Å; K343-R345 PolarHBondContact O-N 3.16Å; R345-E348 IonicContact CZ-OE2 2.94Å; R345-E348 IonicContact NH1-OE1 2.66Å; R345-E348 PolarHBondContact NH1-OE1 3.3Å; R345-E348 IonicContact NH1-OE2 3.24Å; R345-E348 PolarHBondContact NH1-OE2 3.33Å; R345-L349 HydrophobicContact CG-CD1 4.46Å; R345-L349 VanDerWaalsContact O-CG 3.28Å; R345-L349 WeakPolarHBondContact O-CG 3.47Å; R345-L349 PolarHBondContact O-N 3.41Å |
| 346 | V | 94.9 | Very high | 95.1 | Very high | 70 Ų | 70 | 95.5 Ų | 95.5 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.4 | -41.1 | 177.3 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | Y342 K343 A344 L349 K350 | Y342-V346 VanDerWaalsContact O-CG2 3.31Å; Y342-V346 WeakPolarHBondContact O-CG2 3.26Å; Y342-V346 PolarHBondContact O-N 3.07Å; K343-V346 PolarHBondContact O-N 3.45Å; K343-V346 VanDerWaalsContact O-N 3.13Å; A344-V346 VanDerWaalsContact C-N 3.33Å; A344-V346 PolarHBondContact O-N 3.22Å; V346-L349 PolarHBondContact O-N 2.8Å; V346-K350 HydrophobicContact CG1-CD 4.38Å; V346-K350 WeakPolarHBondContact O-CG 3.49Å; V346-K350 PolarHBondContact O-N 2.79Å |
| 347 | E | 94.2 | Very high | 95.2 | Very high | 80 Ų | 80 | 97.4 Ų | 97.4 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 177.7 | -66.6 | -55.4 | 133.8 | 0 | 0 | 111.9 | K343 A344 L349 K350 E351 | K343-E347 PolarHBondContact O-N 2.7Å; A344-E347 PolarHBondContact O-N 3.32Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.39Å; E347-K350 WeakPolarHBondContact O-CB 3.4Å; E347-K350 PolarHBondContact O-N 3.01Å; E347-K350 IonicContact OE1-NZ 2.94Å; E347-K350 PolarHBondContact OE1-NZ 3.26Å; E347-K350 IonicContact OE2-NZ 2.79Å; E347-E351 WeakPolarHBondContact O-CG 3.44Å; E347-E351 PolarHBondContact O-N 3.31Å |
| 348 | E | 94.2 | Very high | 95.3 | Very high | 89 Ų | 89 | 96 Ų | 96 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -54 | -48 | 171.5 | -173.4 | -169.3 | 177.3 | 0 | 0 | 110.9 | A344 R345 K350 E351 D352 | A344-E348 WeakPolarHBondContact O-CB 3.37Å; A344-E348 PolarHBondContact O-N 3.31Å; R345-E348 IonicContact CZ-OE2 2.94Å; R345-E348 IonicContact NH1-OE1 2.66Å; R345-E348 PolarHBondContact NH1-OE1 3.3Å; R345-E348 IonicContact NH1-OE2 3.24Å; R345-E348 PolarHBondContact NH1-OE2 3.33Å; E348-K350 VanDerWaalsContact C-N 3.3Å; E348-K350 PolarHBondContact O-N 2.94Å; E348-E351 PolarHBondContact O-N 2.95Å; E348-D352 WeakPolarHBondContact O-CB 3.4Å; E348-D352 PolarHBondContact O-N 2.83Å |
| 349 | L | 95.5 | Very high | 95.3 | Very high | 76 Ų | 76 | 94.9 Ų | 94.9 | 40% | 0.398 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -29.2 | 177.1 | -72.5 | 171.5 | 0 | 0 | 0 | 113.4 | R345 V346 E347 N353 | R345-L349 HydrophobicContact CG-CD1 4.46Å; R345-L349 VanDerWaalsContact O-CG 3.28Å; R345-L349 WeakPolarHBondContact O-CG 3.47Å; R345-L349 PolarHBondContact O-N 3.41Å; V346-L349 PolarHBondContact O-N 2.8Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.39Å; L349-N353 WeakPolarHBondContact O-CB 3.4Å; L349-N353 PolarHBondContact O-N 3.44Å; L349-N353 VanDerWaalsContact O-N 3.08Å; L349-N353 PolarHBondContact O-ND2 3.43Å |
| 350 | K | 95.8 | Very high | 95.5 | Very high | 111 Ų | 111 | 95.7 Ų | 95.7 | 48% | 0.483 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.4 | -42.5 | 175.1 | -76.5 | 175 | -175.6 | 169.5 | 0 | 111.4 | V346 E347 E348 N353 Q354 | V346-K350 HydrophobicContact CG1-CD 4.38Å; V346-K350 WeakPolarHBondContact O-CG 3.49Å; V346-K350 PolarHBondContact O-N 2.79Å; E347-K350 WeakPolarHBondContact O-CB 3.4Å; E347-K350 PolarHBondContact O-N 3.01Å; E347-K350 IonicContact OE1-NZ 2.94Å; E347-K350 PolarHBondContact OE1-NZ 3.26Å; E347-K350 IonicContact OE2-NZ 2.79Å; E348-K350 VanDerWaalsContact C-N 3.3Å; E348-K350 PolarHBondContact O-N 2.94Å; K350-N353 PolarHBondContact O-N 2.86Å; K350-Q354 WeakPolarHBondContact O-CB 3.41Å; K350-Q354 PolarHBondContact O-N 3.42Å |
| 351 | E | 95 | Very high | 95.7 | Very high | 126 Ų | 126 | 96.2 Ų | 96.2 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.9 | -46.4 | 174.8 | -70.9 | 178.4 | 179.7 | 0 | 0 | 110.5 | E347 E348 N353 Q354 I355 | E347-E351 WeakPolarHBondContact O-CG 3.44Å; E347-E351 PolarHBondContact O-N 3.31Å; E348-E351 PolarHBondContact O-N 2.95Å; E351-N353 VanDerWaalsContact C-N 3.35Å; E351-N353 PolarHBondContact O-N 2.88Å; E351-Q354 PolarHBondContact O-N 3.4Å; E351-Q354 VanDerWaalsContact O-N 3.16Å; E351-I355 WeakPolarHBondContact O-CG1 3.39Å; E351-I355 PolarHBondContact O-N 3.29Å |
| 352 | D | 95.1 | Very high | 95.7 | Very high | 78 Ų | 78 | 94.6 Ų | 94.6 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 174 | -76.4 | -16.3 | 0 | 0 | 0 | 111.8 | E348 Q354 I355 L356 | E348-D352 WeakPolarHBondContact O-CB 3.4Å; E348-D352 PolarHBondContact O-N 2.83Å; D352-Q354 VanDerWaalsContact C-N 3.35Å; D352-Q354 PolarHBondContact O-N 2.85Å; D352-I355 PolarHBondContact O-N 3.3Å; D352-L356 WeakPolarHBondContact O-CB 3.43Å; D352-L356 VanDerWaalsContact O-CG 3.27Å; D352-L356 WeakPolarHBondContact O-CG 3.37Å; D352-L356 PolarHBondContact O-N 3.34Å |
| 353 | N | 95.3 | Very high | 95.6 | Very high | 97 Ų | 97 | 92.1 Ų | 92.1 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 177.4 | -83.6 | -56.3 | 0 | 0 | 0 | 112.9 | L349 K350 E351 L356 L357 | L349-N353 WeakPolarHBondContact O-CB 3.4Å; L349-N353 PolarHBondContact O-N 3.44Å; L349-N353 VanDerWaalsContact O-N 3.08Å; L349-N353 PolarHBondContact O-ND2 3.43Å; K350-N353 PolarHBondContact O-N 2.86Å; E351-N353 VanDerWaalsContact C-N 3.35Å; E351-N353 PolarHBondContact O-N 2.88Å; N353-L356 PolarHBondContact O-N 3.15Å; N353-L357 WeakPolarHBondContact O-CG 3.45Å; N353-L357 PolarHBondContact O-N 2.88Å |
| 354 | Q | 96.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 93.1 Ų | 93.1 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 177.6 | -179.6 | 60.1 | 26.6 | 0 | 0 | 110.9 | K350 E351 D352 L356 L357 E358 | K350-Q354 WeakPolarHBondContact O-CB 3.41Å; K350-Q354 PolarHBondContact O-N 3.42Å; E351-Q354 PolarHBondContact O-N 3.4Å; E351-Q354 VanDerWaalsContact O-N 3.16Å; D352-Q354 VanDerWaalsContact C-N 3.35Å; D352-Q354 PolarHBondContact O-N 2.85Å; Q354-L356 VanDerWaalsContact C-N 3.27Å; Q354-L356 PolarHBondContact O-N 3.14Å; Q354-L357 WeakPolarHBondContact O-CB 3.41Å; Q354-L357 PolarHBondContact O-N 3.4Å; Q354-L357 VanDerWaalsContact O-N 3.12Å; Q354-E358 PolarHBondContact NE2-OE1 3.47Å; Q354-E358 WeakPolarHBondContact O-CG 3.12Å; Q354-E358 PolarHBondContact O-N 3.37Å |
| 355 | I | 96.6 | Very high | 95.8 | Very high | 97 Ų | 97 | 96.8 Ų | 96.8 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 175.1 | -66.4 | 165.6 | 0 | 0 | 0 | 110.3 | E351 D352 E358 T359 | E351-I355 WeakPolarHBondContact O-CG1 3.39Å; E351-I355 PolarHBondContact O-N 3.29Å; D352-I355 PolarHBondContact O-N 3.3Å; I355-E358 PolarHBondContact O-N 2.99Å; I355-T359 WeakPolarHBondContact O-CB 3.39Å; I355-T359 PolarHBondContact O-N 2.97Å; I355-T359 PolarHBondContact O-OG1 2.7Å |
| 356 | L | 96.3 | Very high | 95.7 | Very high | 113 Ų | 113 | 95.7 Ų | 95.7 | 59% | 0.592 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 175 | -75 | 171 | 0 | 0 | 0 | 112.4 | D352 N353 Q354 K360 | D352-L356 WeakPolarHBondContact O-CB 3.43Å; D352-L356 VanDerWaalsContact O-CG 3.27Å; D352-L356 WeakPolarHBondContact O-CG 3.37Å; D352-L356 PolarHBondContact O-N 3.34Å; N353-L356 PolarHBondContact O-N 3.15Å; Q354-L356 VanDerWaalsContact C-N 3.27Å; Q354-L356 PolarHBondContact O-N 3.14Å; L356-K360 WeakPolarHBondContact O-CB 3.16Å; L356-K360 PolarHBondContact O-N 2.71Å |
| 357 | L | 96.5 | Very high | 95.7 | Very high | 94 Ų | 94 | 96.3 Ų | 96.3 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 175.9 | -79.1 | 167 | 0 | 0 | 0 | 111.9 | N353 Q354 T359 K360 T361 | N353-L357 WeakPolarHBondContact O-CG 3.45Å; N353-L357 PolarHBondContact O-N 2.88Å; Q354-L357 WeakPolarHBondContact O-CB 3.41Å; Q354-L357 PolarHBondContact O-N 3.4Å; Q354-L357 VanDerWaalsContact O-N 3.12Å; L357-T359 VanDerWaalsContact C-N 3.33Å; L357-T359 PolarHBondContact O-N 3.03Å; L357-K360 WeakPolarHBondContact O-CB 3.24Å; L357-K360 PolarHBondContact O-N 3.42Å; L357-K360 VanDerWaalsContact O-N 3.17Å; L357-T361 WeakPolarHBondContact O-CG2 3.32Å; L357-T361 PolarHBondContact O-N 3.07Å; L357-T361 PolarHBondContact O-OG1 2.89Å |
| 358 | E | 95.6 | Very high | 95.8 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.1 | -72.8 | 172.6 | -169.2 | 0 | 0 | 111.8 | Q354 I355 K360 T361 M362 | Q354-E358 PolarHBondContact NE2-OE1 3.47Å; Q354-E358 WeakPolarHBondContact O-CG 3.12Å; Q354-E358 PolarHBondContact O-N 3.37Å; I355-E358 PolarHBondContact O-N 2.99Å; E358-K360 VanDerWaalsContact C-N 3.32Å; E358-K360 PolarHBondContact O-N 3.24Å; E358-T361 WeakPolarHBondContact CA-OG1 3.48Å; E358-T361 PolarHBondContact O-N 3.44Å; E358-T361 PolarHBondContact O-OG1 3.22Å; E358-M362 VanDerWaalsContact O-CB 3.31Å; E358-M362 WeakPolarHBondContact O-CB 3.26Å; E358-M362 PolarHBondContact O-N 2.9Å |
| 359 | T | 96.2 | Very high | 95.8 | Very high | 68 Ų | 68 | 95.8 Ų | 95.8 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.3 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | I355 L357 L363 | I355-T359 WeakPolarHBondContact O-CB 3.39Å; I355-T359 PolarHBondContact O-N 2.97Å; I355-T359 PolarHBondContact O-OG1 2.7Å; L357-T359 VanDerWaalsContact C-N 3.33Å; L357-T359 PolarHBondContact O-N 3.03Å; T359-L363 HydrophobicContact CG2-CD1 4.26Å; T359-L363 VanDerWaalsContact O-CG 3.26Å; T359-L363 WeakPolarHBondContact O-CG 3.29Å; T359-L363 PolarHBondContact O-N 3.04Å |
| 360 | K | 96.9 | Very high | 95.7 | Very high | 111 Ų | 111 | 95.7 Ų | 95.7 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 176.1 | 179.4 | -170.2 | 165.1 | -169.8 | 0 | 111.5 | L356 L357 E358 M362 L363 E364 | L356-K360 WeakPolarHBondContact O-CB 3.16Å; L356-K360 PolarHBondContact O-N 2.71Å; L357-K360 WeakPolarHBondContact O-CB 3.24Å; L357-K360 PolarHBondContact O-N 3.42Å; L357-K360 VanDerWaalsContact O-N 3.17Å; E358-K360 VanDerWaalsContact C-N 3.32Å; E358-K360 PolarHBondContact O-N 3.24Å; K360-M362 VanDerWaalsContact C-N 3.34Å; K360-M362 PolarHBondContact O-N 3.22Å; K360-L363 PolarHBondContact O-N 3Å; K360-E364 WeakPolarHBondContact CE-OE1 3.38Å; K360-E364 IonicContact NZ-OE1 3.38Å; K360-E364 WeakPolarHBondContact O-CG 3.32Å; K360-E364 PolarHBondContact O-N 3.1Å |
| 361 | T | 96.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 97.2 Ų | 97.2 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | -179.7 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | L357 E358 L363 E364 E365 | L357-T361 WeakPolarHBondContact O-CG2 3.32Å; L357-T361 PolarHBondContact O-N 3.07Å; L357-T361 PolarHBondContact O-OG1 2.89Å; E358-T361 WeakPolarHBondContact CA-OG1 3.48Å; E358-T361 PolarHBondContact O-N 3.44Å; E358-T361 PolarHBondContact O-OG1 3.22Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.44Å; T361-E364 PolarHBondContact O-N 3.39Å; T361-E365 WeakPolarHBondContact O-CG 3.48Å; T361-E365 PolarHBondContact O-N 3.26Å |
| 362 | M | 96.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 94.7 Ų | 94.7 | 49% | 0.493 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 174.9 | -176 | -132.3 | -171.4 | 0 | 0 | 111.5 | E358 K360 E365 Q366 | E358-M362 VanDerWaalsContact O-CB 3.31Å; E358-M362 WeakPolarHBondContact O-CB 3.26Å; E358-M362 PolarHBondContact O-N 2.9Å; K360-M362 VanDerWaalsContact C-N 3.34Å; K360-M362 PolarHBondContact O-N 3.22Å; M362-E365 PolarHBondContact O-N 2.89Å; M362-Q366 VanDerWaalsContact CE-NE2 3.3Å; M362-Q366 WeakPolarHBondContact O-CB 3.42Å; M362-Q366 WeakPolarHBondContact O-CG 3.32Å; M362-Q366 PolarHBondContact O-N 3.4Å |
| 363 | L | 95.3 | Very high | 95.7 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 176 | -70.7 | 172.1 | 0 | 0 | 0 | 112.3 | T359 K360 T361 L367 | T359-L363 HydrophobicContact CG2-CD1 4.26Å; T359-L363 VanDerWaalsContact O-CG 3.26Å; T359-L363 WeakPolarHBondContact O-CG 3.29Å; T359-L363 PolarHBondContact O-N 3.04Å; K360-L363 PolarHBondContact O-N 3Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.44Å; L363-L367 WeakPolarHBondContact O-CB 3.33Å; L363-L367 PolarHBondContact O-N 3.32Å |
| 364 | E | 95.8 | Very high | 95.6 | Very high | 100 Ų | 100 | 98.2 Ų | 98.2 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 174.9 | -74.3 | 176.1 | 163.1 | 0 | 0 | 111.8 | K360 T361 L367 D368 | K360-E364 WeakPolarHBondContact CE-OE1 3.38Å; K360-E364 IonicContact NZ-OE1 3.38Å; K360-E364 WeakPolarHBondContact O-CG 3.32Å; K360-E364 PolarHBondContact O-N 3.1Å; T361-E364 PolarHBondContact O-N 3.39Å; E364-L367 WeakPolarHBondContact O-CB 3.49Å; E364-L367 PolarHBondContact O-N 2.88Å; E364-D368 PolarHBondContact O-N 3.44Å |
| 365 | E | 95.9 | Very high | 95.5 | Very high | 139 Ų | 139 | 98.3 Ų | 98.3 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 174.9 | -73.3 | 177.6 | 178 | 0 | 0 | 112.1 | T361 M362 L367 D368 S369 | T361-E365 WeakPolarHBondContact O-CG 3.48Å; T361-E365 PolarHBondContact O-N 3.26Å; M362-E365 PolarHBondContact O-N 2.89Å; E365-L367 VanDerWaalsContact C-N 3.3Å; E365-L367 PolarHBondContact O-N 3.37Å; E365-D368 PolarHBondContact O-N 3.36Å; E365-S369 WeakPolarHBondContact O-CB 3.29Å; E365-S369 PolarHBondContact O-N 3.09Å |
| 366 | Q | 95.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 173.1 | -76.7 | -176.3 | -6.8 | 0 | 0 | 111 | M362 D368 S369 T370 | M362-Q366 VanDerWaalsContact CE-NE2 3.3Å; M362-Q366 WeakPolarHBondContact O-CB 3.42Å; M362-Q366 WeakPolarHBondContact O-CG 3.32Å; M362-Q366 PolarHBondContact O-N 3.4Å; Q366-D368 PolarHBondContact O-N 3.34Å; Q366-S369 PolarHBondContact O-N 2.92Å; Q366-S369 PolarHBondContact O-OG 3.42Å; Q366-T370 WeakPolarHBondContact O-CG2 3.25Å; Q366-T370 PolarHBondContact O-N 3.49Å |
| 367 | L | 94.5 | Very high | 95.3 | Very high | 84 Ų | 84 | 99.6 Ų | 99.6 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.3 | -175.5 | 66.6 | 0 | 0 | 0 | 111.3 | L363 E364 E365 T370 R371 | L363-L367 WeakPolarHBondContact O-CB 3.33Å; L363-L367 PolarHBondContact O-N 3.32Å; E364-L367 WeakPolarHBondContact O-CB 3.49Å; E364-L367 PolarHBondContact O-N 2.88Å; E365-L367 VanDerWaalsContact C-N 3.3Å; E365-L367 PolarHBondContact O-N 3.37Å; L367-T370 PolarHBondContact O-N 3.38Å; L367-T370 PolarHBondContact O-OG1 2.83Å; L367-R371 WeakPolarHBondContact O-CG 3.45Å; L367-R371 PolarHBondContact O-N 3.11Å |
| 368 | D | 96.3 | Very high | 95.2 | Very high | 92 Ų | 92 | 100 Ų | 100 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 177.8 | -164.2 | 60.8 | 0 | 0 | 0 | 112.5 | E364 E365 Q366 T370 R371 T372 | E364-D368 PolarHBondContact O-N 3.44Å; E365-D368 PolarHBondContact O-N 3.36Å; Q366-D368 PolarHBondContact O-N 3.34Å; D368-T370 VanDerWaalsContact C-N 3.26Å; D368-T370 PolarHBondContact O-N 2.88Å; D368-R371 WeakPolarHBondContact O-CB 3.42Å; D368-R371 PolarHBondContact O-N 3.4Å; D368-R371 VanDerWaalsContact O-N 3.13Å; D368-T372 WeakPolarHBondContact O-CG2 3.47Å; D368-T372 PolarHBondContact O-N 3.48Å; D368-T372 PolarHBondContact O-OG1 2.94Å; D368-T372 VanDerWaalsContact O-OG1 3.11Å |
| 369 | S | 95.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 173.5 | 82 | 0 | 0 | 0 | 0 | 112.2 | E365 Q366 T372 R373 | E365-S369 WeakPolarHBondContact O-CB 3.29Å; E365-S369 PolarHBondContact O-N 3.09Å; Q366-S369 PolarHBondContact O-N 2.92Å; Q366-S369 PolarHBondContact O-OG 3.42Å; S369-T372 WeakPolarHBondContact CA-OG1 3.26Å; S369-T372 PolarHBondContact O-OG1 2.95Å; S369-R373 WeakPolarHBondContact O-CB 3.5Å; S369-R373 PolarHBondContact O-N 3.44Å; S369-R373 VanDerWaalsContact O-N 3.11Å |
| 370 | T | 93.4 | Very high | 95 | Very high | 74 Ų | 74 | 101.5 Ų | 101.5 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.7 | -37 | 177 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | Q366 L367 D368 S374 | Q366-T370 WeakPolarHBondContact O-CG2 3.25Å; Q366-T370 PolarHBondContact O-N 3.49Å; L367-T370 PolarHBondContact O-N 3.38Å; L367-T370 PolarHBondContact O-OG1 2.83Å; D368-T370 VanDerWaalsContact C-N 3.26Å; D368-T370 PolarHBondContact O-N 2.88Å; T370-S374 PolarHBondContact O-N 3.29Å |
| 371 | R | 95.1 | Very high | 94.8 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -50.5 | 175.2 | -74.2 | 174.2 | 175.4 | 167.8 | -0.6 | 111.7 | L367 D368 R373 S374 D375 | L367-R371 WeakPolarHBondContact O-CG 3.45Å; L367-R371 PolarHBondContact O-N 3.11Å; D368-R371 WeakPolarHBondContact O-CB 3.42Å; D368-R371 PolarHBondContact O-N 3.4Å; D368-R371 VanDerWaalsContact O-N 3.13Å; R371-R373 VanDerWaalsContact C-N 3.3Å; R371-R373 PolarHBondContact O-N 3.08Å; R371-S374 CarbonylContact O-C 3.58Å; R371-S374 WeakPolarHBondContact O-CA 3.42Å; R371-S374 WeakPolarHBondContact O-CB 3.47Å; R371-S374 PolarHBondContact O-N 3.03Å; R371-D375 PolarHBondContact O-N 3.41Å |
| 372 | T | 95.3 | Very high | 94.8 | Very high | 73 Ų | 73 | 103.6 Ų | 103.6 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | D368 S369 S374 D375 K376 | D368-T372 WeakPolarHBondContact O-CG2 3.47Å; D368-T372 PolarHBondContact O-N 3.48Å; D368-T372 PolarHBondContact O-OG1 2.94Å; D368-T372 VanDerWaalsContact O-OG1 3.11Å; S369-T372 WeakPolarHBondContact CA-OG1 3.26Å; S369-T372 PolarHBondContact O-OG1 2.95Å; T372-S374 VanDerWaalsContact C-N 3.35Å; T372-D375 PolarHBondContact O-N 3.47Å; T372-K376 PolarHBondContact O-N 3.39Å |
| 373 | R | 94.7 | Very high | 94.7 | Very high | 196 Ų | 196 | 104 Ų | 104 | 74% | 0.74 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 171.7 | -168.2 | 178.4 | 76.4 | 151.2 | 2.3 | 111.9 | S369 R371 K376 L377 | S369-R373 WeakPolarHBondContact O-CB 3.5Å; S369-R373 PolarHBondContact O-N 3.44Å; S369-R373 VanDerWaalsContact O-N 3.11Å; R371-R373 VanDerWaalsContact C-N 3.3Å; R371-R373 PolarHBondContact O-N 3.08Å; R373-K376 PolarHBondContact O-N 3.08Å; R373-L377 WeakPolarHBondContact O-CB 3.42Å; R373-L377 PolarHBondContact O-N 3.4Å |
| 374 | S | 93.2 | Very high | 94.5 | Very high | 52 Ų | 52 | 103.1 Ų | 103.1 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 174.8 | -163.3 | 0 | 0 | 0 | 0 | 111.7 | T370 R371 T372 K376 L377 H378 | T370-S374 PolarHBondContact O-N 3.29Å; R371-S374 CarbonylContact O-C 3.58Å; R371-S374 WeakPolarHBondContact O-CA 3.42Å; R371-S374 WeakPolarHBondContact O-CB 3.47Å; R371-S374 PolarHBondContact O-N 3.03Å; T372-S374 VanDerWaalsContact C-N 3.35Å; S374-K376 VanDerWaalsContact C-N 3.35Å; S374-K376 PolarHBondContact O-N 3.21Å; S374-L377 WeakPolarHBondContact O-CB 3.25Å; S374-L377 PolarHBondContact O-N 2.95Å; S374-H378 PolarHBondContact O-CD2 3.42Å; S374-H378 PolarHBondContact O-N 3.31Å |
| 375 | D | 95.1 | Very high | 94.5 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.5 | -67.5 | -26.1 | 0 | 0 | 0 | 111.6 | R371 T372 L377 H378 L379 | R371-D375 PolarHBondContact O-N 3.41Å; T372-D375 PolarHBondContact O-N 3.47Å; D375-L377 VanDerWaalsContact C-N 3.34Å; D375-L377 PolarHBondContact O-N 3.34Å; D375-H378 PolarHBondContact O-N 3.49Å; D375-L379 WeakPolarHBondContact O-CG 3.45Å; D375-L379 PolarHBondContact O-N 3.39Å |
| 376 | K | 95.2 | Very high | 94.4 | Very high | 141 Ų | 141 | 102.1 Ų | 102.1 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 175.4 | -169.3 | 168.1 | -175 | 174 | 0 | 112.1 | T372 R373 S374 L379 L380 | T372-K376 PolarHBondContact O-N 3.39Å; R373-K376 PolarHBondContact O-N 3.08Å; S374-K376 VanDerWaalsContact C-N 3.35Å; S374-K376 PolarHBondContact O-N 3.21Å; K376-L379 PolarHBondContact O-N 3.11Å; K376-L380 HydrophobicContact CG-CD1 4.43Å; K376-L380 WeakPolarHBondContact O-CG 3.48Å; K376-L380 PolarHBondContact O-N 2.99Å |
| 377 | L | 93.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 172.2 | -171.8 | 87.8 | 0 | 0 | 0 | 110.2 | R373 S374 D375 L379 L380 E381 | R373-L377 WeakPolarHBondContact O-CB 3.42Å; R373-L377 PolarHBondContact O-N 3.4Å; S374-L377 WeakPolarHBondContact O-CB 3.25Å; S374-L377 PolarHBondContact O-N 2.95Å; D375-L377 VanDerWaalsContact C-N 3.34Å; D375-L377 PolarHBondContact O-N 3.34Å; L377-L379 VanDerWaalsContact C-N 3.35Å; L377-L379 PolarHBondContact O-N 3.29Å; L377-L380 PolarHBondContact O-N 3.48Å; L377-E381 WeakPolarHBondContact O-CG 3.25Å; L377-E381 PolarHBondContact O-N 2.94Å |
| 378 | H | 93.6 | Very high | 94.3 | Very high | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 178.2 | -75.9 | -44 | 0 | 0 | 0 | 113.6 | S374 D375 E381 K382 | S374-H378 PolarHBondContact O-CD2 3.42Å; S374-H378 PolarHBondContact O-N 3.31Å; D375-H378 PolarHBondContact O-N 3.49Å; H378-E381 IonicContact CE1-OE2 3.89Å; H378-E381 IonicContact ND1-OE2 3.74Å; H378-E381 PolarHBondContact ND1-OE2 3.04Å; H378-E381 VanDerWaalsContact ND1-OE2 3.08Å; H378-E381 PolarHBondContact O-N 3.43Å; H378-K382 WeakPolarHBondContact O-CB 3.46Å; H378-K382 PolarHBondContact O-N 3.41Å |
| 379 | L | 94.8 | Very high | 94.2 | Very high | 108 Ų | 108 | 103.7 Ų | 103.7 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 173.7 | -72 | 173.7 | 0 | 0 | 0 | 111.8 | D375 K376 L377 E381 K382 E383 | D375-L379 WeakPolarHBondContact O-CG 3.45Å; D375-L379 PolarHBondContact O-N 3.39Å; K376-L379 PolarHBondContact O-N 3.11Å; L377-L379 VanDerWaalsContact C-N 3.35Å; L377-L379 PolarHBondContact O-N 3.29Å; L379-E381 VanDerWaalsContact C-N 3.33Å; L379-E381 PolarHBondContact O-N 3.29Å; L379-K382 WeakPolarHBondContact O-CB 3.4Å; L379-K382 PolarHBondContact O-N 3.24Å; L379-E383 WeakPolarHBondContact O-CG 3.34Å; L379-E383 PolarHBondContact O-N 3.19Å |
| 380 | L | 93.2 | Very high | 94.2 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.6 | -71.5 | 171.8 | 0 | 0 | 0 | 111.9 | K376 L377 K382 E383 N384 | K376-L380 HydrophobicContact CG-CD1 4.43Å; K376-L380 WeakPolarHBondContact O-CG 3.48Å; K376-L380 PolarHBondContact O-N 2.99Å; L377-L380 PolarHBondContact O-N 3.48Å; L380-K382 VanDerWaalsContact C-N 3.35Å; L380-E383 PolarHBondContact O-N 3.5Å; L380-N384 VanDerWaalsContact O-CB 3.28Å; L380-N384 WeakPolarHBondContact O-CB 3.28Å; L380-N384 PolarHBondContact O-N 2.94Å |
| 381 | E | 93.9 | Very high | 94.1 | Very high | 94 Ų | 94 | 108.1 Ų | 108.1 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.7 | -76.4 | 174.2 | 164.7 | 0 | 0 | 111.3 | L377 H378 L379 N384 L385 | L377-E381 WeakPolarHBondContact O-CG 3.25Å; L377-E381 PolarHBondContact O-N 2.94Å; H378-E381 IonicContact CE1-OE2 3.89Å; H378-E381 IonicContact ND1-OE2 3.74Å; H378-E381 PolarHBondContact ND1-OE2 3.04Å; H378-E381 VanDerWaalsContact ND1-OE2 3.08Å; H378-E381 PolarHBondContact O-N 3.43Å; L379-E381 VanDerWaalsContact C-N 3.33Å; L379-E381 PolarHBondContact O-N 3.29Å; E381-N384 PolarHBondContact O-N 3.01Å; E381-L385 WeakPolarHBondContact O-CG 3.13Å; E381-L385 PolarHBondContact O-N 3.03Å |
| 382 | K | 95.7 | Very high | 94.1 | Very high | 127 Ų | 127 | 106.3 Ų | 106.3 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 176.2 | -176.1 | -178.5 | 178.2 | -178.2 | 0 | 112.1 | H378 L379 L380 L385 Q386 | H378-K382 WeakPolarHBondContact O-CB 3.46Å; H378-K382 PolarHBondContact O-N 3.41Å; L379-K382 WeakPolarHBondContact O-CB 3.4Å; L379-K382 PolarHBondContact O-N 3.24Å; L380-K382 VanDerWaalsContact C-N 3.35Å; K382-L385 PolarHBondContact O-N 3.2Å; K382-Q386 WeakPolarHBondContact O-CG 3.49Å; K382-Q386 PolarHBondContact O-N 2.92Å |
| 383 | E | 94.1 | Very high | 94 | Very high | 107 Ų | 107 | 106.8 Ų | 106.8 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.6 | -73.1 | 177.7 | 179.2 | 0 | 0 | 111.7 | L379 L380 L385 Q386 L387 | L379-E383 WeakPolarHBondContact O-CG 3.34Å; L379-E383 PolarHBondContact O-N 3.19Å; L380-E383 PolarHBondContact O-N 3.5Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 2.78Å; E383-Q386 PolarHBondContact O-N 2.94Å; E383-L387 WeakPolarHBondContact O-CG 2.93Å; E383-L387 PolarHBondContact O-N 3.19Å |
| 384 | N | 91.8 | Very high | 94 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.6 | -163.8 | -75.4 | 0 | 0 | 0 | 111.3 | L380 E381 L387 K388 | L380-N384 VanDerWaalsContact O-CB 3.28Å; L380-N384 WeakPolarHBondContact O-CB 3.28Å; L380-N384 PolarHBondContact O-N 2.94Å; E381-N384 PolarHBondContact O-N 3.01Å; N384-L387 PolarHBondContact O-N 3.32Å; N384-K388 WeakPolarHBondContact O-CB 3.43Å; N384-K388 VanDerWaalsContact O-CG 3.32Å; N384-K388 WeakPolarHBondContact O-CG 3.38Å; N384-K388 PolarHBondContact O-N 3.34Å; N384-K388 WeakPolarHBondContact OD1-CE 3.49Å; N384-K388 PolarHBondContact OD1-NZ 3.22Å |
| 385 | L | 95.1 | Very high | 94 | Very high | 115 Ų | 115 | 104.2 Ų | 104.2 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 174.2 | -72.4 | 171.7 | 0 | 0 | 0 | 112.2 | E381 K382 E383 K388 S389 | E381-L385 WeakPolarHBondContact O-CG 3.13Å; E381-L385 PolarHBondContact O-N 3.03Å; K382-L385 PolarHBondContact O-N 3.2Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 2.78Å; L385-K388 PolarHBondContact O-N 3.01Å; L385-S389 PolarHBondContact O-N 2.68Å |
| 386 | Q | 94.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 104.1 Ų | 104.1 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.5 | -73.3 | 177.8 | -6.7 | 0 | 0 | 112.5 | K382 E383 K388 S389 K390 | K382-Q386 WeakPolarHBondContact O-CG 3.49Å; K382-Q386 PolarHBondContact O-N 2.92Å; E383-Q386 PolarHBondContact O-N 2.94Å; Q386-K388 VanDerWaalsContact C-N 3.35Å; Q386-S389 WeakPolarHBondContact O-CB 3.49Å; Q386-S389 PolarHBondContact O-N 3.49Å; Q386-K390 WeakPolarHBondContact O-CG 3.43Å; Q386-K390 PolarHBondContact O-N 3.15Å |
| 387 | L | 93.5 | Very high | 93.7 | Very high | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 175.8 | -72 | 173 | 0 | 0 | 0 | 111.5 | E383 N384 S389 K390 M391 | E383-L387 WeakPolarHBondContact O-CG 2.93Å; E383-L387 PolarHBondContact O-N 3.19Å; N384-L387 PolarHBondContact O-N 3.32Å; L387-S389 VanDerWaalsContact C-N 3.34Å; L387-S389 PolarHBondContact O-N 2.76Å; L387-K390 PolarHBondContact O-N 2.82Å; L387-M391 WeakPolarHBondContact O-CB 3.27Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 3.48Å |
| 388 | K | 94.2 | Very high | 93.7 | Very high | 129 Ų | 129 | 104.7 Ų | 104.7 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.6 | -43 | 172.7 | -78.8 | 172.4 | 174.2 | 164.5 | 0 | 112.2 | N384 L385 Q386 M391 H392 | N384-K388 WeakPolarHBondContact O-CB 3.43Å; N384-K388 VanDerWaalsContact O-CG 3.32Å; N384-K388 WeakPolarHBondContact O-CG 3.38Å; N384-K388 PolarHBondContact O-N 3.34Å; N384-K388 WeakPolarHBondContact OD1-CE 3.49Å; N384-K388 PolarHBondContact OD1-NZ 3.22Å; L385-K388 PolarHBondContact O-N 3.01Å; Q386-K388 VanDerWaalsContact C-N 3.35Å; K388-M391 PolarHBondContact O-N 3.46Å; K388-H392 PolarHBondContact O-N 2.98Å |
| 389 | S | 93.6 | Very high | 93.7 | Very high | 64 Ų | 64 | 102.6 Ų | 102.6 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | L385 Q386 L387 M391 H392 D393 | L385-S389 PolarHBondContact O-N 2.68Å; Q386-S389 WeakPolarHBondContact O-CB 3.49Å; Q386-S389 PolarHBondContact O-N 3.49Å; L387-S389 VanDerWaalsContact C-N 3.34Å; L387-S389 PolarHBondContact O-N 2.76Å; S389-M391 VanDerWaalsContact C-N 3.33Å; S389-M391 PolarHBondContact O-N 3.2Å; S389-H392 WeakPolarHBondContact O-CB 3.36Å; S389-H392 PolarHBondContact O-N 3.41Å; S389-H392 VanDerWaalsContact O-N 3.1Å; S389-D393 VanDerWaalsContact O-CG 3.29Å; S389-D393 PolarHBondContact O-N 2.78Å |
| 390 | K | 95.5 | Very high | 93.6 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 178.6 | -73.3 | -179.6 | 179.5 | -179.8 | 0 | 112.9 | Q386 L387 H392 D393 L394 | Q386-K390 WeakPolarHBondContact O-CG 3.43Å; Q386-K390 PolarHBondContact O-N 3.15Å; L387-K390 PolarHBondContact O-N 2.82Å; K390-H392 VanDerWaalsContact C-N 3.3Å; K390-D393 PolarHBondContact O-N 2.97Å; K390-L394 WeakPolarHBondContact O-CG 3.39Å; K390-L394 PolarHBondContact O-N 3.21Å |
| 391 | M | 90.7 | Very high | 93.6 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 173.6 | -81.1 | -64 | -51.4 | 0 | 0 | 110.9 | L387 K388 S389 L394 E395 | L387-M391 WeakPolarHBondContact O-CB 3.27Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 3.48Å; K388-M391 PolarHBondContact O-N 3.46Å; S389-M391 VanDerWaalsContact C-N 3.33Å; S389-M391 PolarHBondContact O-N 3.2Å; M391-L394 PolarHBondContact O-N 3.1Å; M391-E395 WeakPolarHBondContact O-CB 3.48Å; M391-E395 VanDerWaalsContact O-CG 3.29Å; M391-E395 WeakPolarHBondContact O-CG 3.28Å; M391-E395 PolarHBondContact O-N 3.14Å |
| 392 | H | 94.5 | Very high | 93.6 | Very high | 104 Ų | 104 | 103.7 Ų | 103.7 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.2 | -174 | 59.5 | 0 | 0 | 0 | 112.3 | K388 S389 K390 L394 E395 M396 | K388-H392 PolarHBondContact O-N 2.98Å; S389-H392 WeakPolarHBondContact O-CB 3.36Å; S389-H392 PolarHBondContact O-N 3.41Å; S389-H392 VanDerWaalsContact O-N 3.1Å; K390-H392 VanDerWaalsContact C-N 3.3Å; H392-L394 PolarHBondContact O-N 3.47Å; H392-E395 WeakPolarHBondContact O-CB 3.32Å; H392-E395 PolarHBondContact O-N 3.41Å; H392-M396 VanDerWaalsContact O-CG 3.3Å; H392-M396 WeakPolarHBondContact O-CG 3.35Å; H392-M396 PolarHBondContact O-N 3.02Å |
| 393 | D | 94.8 | Very high | 93.5 | Very high | 84 Ų | 84 | 103.5 Ų | 103.5 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.7 | -61.5 | -33 | 0 | 0 | 0 | 111.5 | S389 K390 M396 E397 | S389-D393 VanDerWaalsContact O-CG 3.29Å; S389-D393 PolarHBondContact O-N 2.78Å; K390-D393 PolarHBondContact O-N 2.97Å; D393-M396 WeakPolarHBondContact O-CB 3.49Å; D393-M396 PolarHBondContact O-N 3.26Å; D393-E397 PolarHBondContact O-N 2.93Å |
| 394 | L | 93.4 | Very high | 93.5 | Very high | 102 Ų | 102 | 103.9 Ų | 103.9 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 176.1 | -72 | 173 | 0 | 0 | 0 | 112.8 | K390 M391 H392 M396 E397 R398 | K390-L394 WeakPolarHBondContact O-CG 3.39Å; K390-L394 PolarHBondContact O-N 3.21Å; M391-L394 PolarHBondContact O-N 3.1Å; H392-L394 PolarHBondContact O-N 3.47Å; L394-M396 VanDerWaalsContact C-N 3.32Å; L394-E397 PolarHBondContact O-N 2.99Å; L394-R398 VanDerWaalsContact O-CB 3.28Å; L394-R398 WeakPolarHBondContact O-CB 3.46Å; L394-R398 PolarHBondContact O-N 3.41Å |
| 395 | E | 92.9 | Very high | 93.4 | Very high | 92 Ų | 92 | 105.5 Ų | 105.5 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 172.9 | -78.2 | 171.6 | 176.4 | 0 | 0 | 110.8 | M391 H392 R398 D399 | M391-E395 WeakPolarHBondContact O-CB 3.48Å; M391-E395 VanDerWaalsContact O-CG 3.29Å; M391-E395 WeakPolarHBondContact O-CG 3.28Å; M391-E395 PolarHBondContact O-N 3.14Å; H392-E395 WeakPolarHBondContact O-CB 3.32Å; H392-E395 PolarHBondContact O-N 3.41Å; E395-R398 PolarHBondContact O-N 3.49Å; E395-D399 WeakPolarHBondContact O-CB 3.42Å; E395-D399 PolarHBondContact O-N 2.71Å |
| 396 | M | 92.7 | Very high | 93.2 | Very high | 97 Ų | 97 | 104.8 Ų | 104.8 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 175.4 | -71.5 | -66.4 | -63.3 | 0 | 0 | 112.1 | H392 D393 L394 D399 L400 | H392-M396 VanDerWaalsContact O-CG 3.3Å; H392-M396 WeakPolarHBondContact O-CG 3.35Å; H392-M396 PolarHBondContact O-N 3.02Å; D393-M396 WeakPolarHBondContact O-CB 3.49Å; D393-M396 PolarHBondContact O-N 3.26Å; L394-M396 VanDerWaalsContact C-N 3.32Å; M396-D399 PolarHBondContact O-N 2.91Å; M396-L400 WeakPolarHBondContact O-CG 3.41Å; M396-L400 PolarHBondContact O-N 3.3Å |
| 397 | E | 93 | Very high | 93 | Very high | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 174.1 | -76.1 | -178.6 | 172.7 | 0 | 0 | 111.3 | D393 L394 D399 L400 D401 | D393-E397 PolarHBondContact O-N 2.93Å; L394-E397 PolarHBondContact O-N 2.99Å; E397-D399 VanDerWaalsContact C-N 3.27Å; E397-D399 PolarHBondContact O-N 2.97Å; E397-L400 CarbonylContact O-C 3.52Å; E397-L400 WeakPolarHBondContact O-CB 3.38Å; E397-L400 PolarHBondContact O-N 3.29Å; E397-L400 VanDerWaalsContact O-N 3.12Å; E397-D401 PolarHBondContact O-N 3.16Å |
| 398 | R | 92.6 | Very high | 92.8 | Very high | 137 Ų | 137 | 102.8 Ų | 102.8 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 177.3 | -171 | -158.6 | 67.2 | 168.8 | -3.1 | 111.9 | L394 E395 R402 | L394-R398 VanDerWaalsContact O-CB 3.28Å; L394-R398 WeakPolarHBondContact O-CB 3.46Å; L394-R398 PolarHBondContact O-N 3.41Å; E395-R398 PolarHBondContact O-N 3.49Å; R398-R402 VanDerWaalsContact CZ-NH2 3.3Å; R398-R402 VanDerWaalsContact O-CB 3.31Å; R398-R402 WeakPolarHBondContact O-CB 3.26Å; R398-R402 PolarHBondContact O-N 3.27Å |
| 399 | D | 92.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 102.4 Ų | 102.4 | 32% | 0.316 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.9 | -30.9 | 177.4 | -71 | -8 | 0 | 0 | 0 | 111.8 | E395 M396 E397 R402 K403 | E395-D399 WeakPolarHBondContact O-CB 3.42Å; E395-D399 PolarHBondContact O-N 2.71Å; M396-D399 PolarHBondContact O-N 2.91Å; E397-D399 VanDerWaalsContact C-N 3.27Å; E397-D399 PolarHBondContact O-N 2.97Å; D399-R402 IonicContact OD1-NE 3.9Å; D399-R402 IonicContact OD1-NH2 2.86Å; D399-K403 WeakPolarHBondContact O-CG 2.86Å; D399-K403 PolarHBondContact O-N 2.99Å |
| 400 | L | 93.4 | Very high | 92.5 | Very high | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 168.7 | -72.1 | 170.7 | 0 | 0 | 0 | 111.8 | M396 E397 R402 K403 R404 | M396-L400 WeakPolarHBondContact O-CG 3.41Å; M396-L400 PolarHBondContact O-N 3.3Å; E397-L400 CarbonylContact O-C 3.52Å; E397-L400 WeakPolarHBondContact O-CB 3.38Å; E397-L400 PolarHBondContact O-N 3.29Å; E397-L400 VanDerWaalsContact O-N 3.12Å; L400-R402 VanDerWaalsContact C-N 3.28Å; L400-R402 PolarHBondContact O-N 3.49Å; L400-K403 WeakPolarHBondContact O-CB 3.48Å; L400-K403 PolarHBondContact O-N 2.92Å; L400-R404 WeakPolarHBondContact O-CB 3.49Å; L400-R404 PolarHBondContact O-N 3.1Å |
| 401 | D | 92.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 104.2 Ų | 104.2 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -39 | 175.4 | -75.9 | -19.3 | 0 | 0 | 0 | 111.2 | E397 R404 M405 | E397-D401 PolarHBondContact O-N 3.16Å; D401-R404 PolarHBondContact O-N 3.33Å; D401-M405 WeakPolarHBondContact O-CB 3.43Å; D401-M405 WeakPolarHBondContact O-CG 3.19Å; D401-M405 PolarHBondContact O-N 3.02Å |
| 402 | R | 94 | Very high | 92 | Very high | 115 Ų | 115 | 104 Ų | 104 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 173.6 | -170.8 | -165.8 | -52.8 | -110.1 | -0.4 | 111.2 | R398 D399 L400 R404 M405 E406 | R398-R402 VanDerWaalsContact CZ-NH2 3.3Å; R398-R402 VanDerWaalsContact O-CB 3.31Å; R398-R402 WeakPolarHBondContact O-CB 3.26Å; R398-R402 PolarHBondContact O-N 3.27Å; D399-R402 IonicContact OD1-NE 3.9Å; D399-R402 IonicContact OD1-NH2 2.86Å; L400-R402 VanDerWaalsContact C-N 3.28Å; L400-R402 PolarHBondContact O-N 3.49Å; R402-R404 VanDerWaalsContact C-N 3.28Å; R402-R404 PolarHBondContact O-N 2.95Å; R402-M405 PolarHBondContact O-N 3.16Å; R402-E406 WeakPolarHBondContact O-CG 3.39Å; R402-E406 PolarHBondContact O-N 3.3Å |
| 403 | K | 93.3 | Very high | 91.9 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 175 | -73.5 | 173.6 | -177.9 | 177.9 | 0 | 111.5 | D399 L400 E406 E407 | D399-K403 WeakPolarHBondContact O-CG 2.86Å; D399-K403 PolarHBondContact O-N 2.99Å; L400-K403 WeakPolarHBondContact O-CB 3.48Å; L400-K403 PolarHBondContact O-N 2.92Å; K403-E406 WeakPolarHBondContact O-CB 3.39Å; K403-E406 PolarHBondContact O-N 2.86Å; K403-E407 WeakPolarHBondContact O-CG 3.41Å; K403-E407 PolarHBondContact O-N 2.76Å |
| 404 | R | 93.5 | Very high | 91.6 | Very high | 115 Ų | 115 | 104.4 Ų | 104.4 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.7 | -173.5 | 59.4 | -177.3 | 157.6 | 9 | 112.5 | L400 D401 R402 E407 L408 | L400-R404 WeakPolarHBondContact O-CB 3.49Å; L400-R404 PolarHBondContact O-N 3.1Å; D401-R404 PolarHBondContact O-N 3.33Å; R402-R404 VanDerWaalsContact C-N 3.28Å; R402-R404 PolarHBondContact O-N 2.95Å; R404-E407 WeakPolarHBondContact CD-OE2 3.37Å; R404-E407 IonicContact CZ-OE2 3.85Å; R404-E407 IonicContact NH1-OE2 2.85Å; R404-E407 PolarHBondContact NH1-OE2 3.4Å; R404-E407 PolarHBondContact O-N 3.26Å; R404-L408 HydrophobicContact CG-CD1 4.3Å; R404-L408 WeakPolarHBondContact O-CB 3.45Å; R404-L408 VanDerWaalsContact O-CG 3.28Å; R404-L408 WeakPolarHBondContact O-CG 3.18Å; R404-L408 PolarHBondContact O-N 3.49Å |
| 405 | M | 89.7 | Confident | 91.2 | Very high | 115 Ų | 115 | 105 Ų | 105 | 57% | 0.567 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 172.4 | -77.6 | -174.2 | -72.8 | 0 | 0 | 111.5 | D401 R402 L408 L409 | D401-M405 WeakPolarHBondContact O-CB 3.43Å; D401-M405 WeakPolarHBondContact O-CG 3.19Å; D401-M405 PolarHBondContact O-N 3.02Å; R402-M405 PolarHBondContact O-N 3.16Å; M405-L408 PolarHBondContact O-N 3.15Å; M405-L409 WeakPolarHBondContact O-CB 3.47Å; M405-L409 WeakPolarHBondContact O-CG 3.49Å; M405-L409 PolarHBondContact O-N 3.18Å |
| 406 | E | 91.1 | Very high | 90.8 | Very high | 101 Ų | 101 | 106.4 Ų | 106.4 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 173.4 | -72 | 166.4 | -173 | 0 | 0 | 110.9 | R402 K403 L408 L409 E410 | R402-E406 WeakPolarHBondContact O-CG 3.39Å; R402-E406 PolarHBondContact O-N 3.3Å; K403-E406 WeakPolarHBondContact O-CB 3.39Å; K403-E406 PolarHBondContact O-N 2.86Å; E406-L408 PolarHBondContact O-N 2.95Å; E406-L409 PolarHBondContact O-N 3.05Å; E406-E410 WeakPolarHBondContact O-CG 3.25Å; E406-E410 PolarHBondContact O-N 3.5Å |
| 407 | E | 91.2 | Very high | 90.6 | Very high | 89 Ų | 89 | 106.8 Ų | 106.8 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.3 | -72.9 | 170.9 | -174.2 | 0 | 0 | 112.3 | K403 R404 L409 E410 E411 | K403-E407 WeakPolarHBondContact O-CG 3.41Å; K403-E407 PolarHBondContact O-N 2.76Å; R404-E407 WeakPolarHBondContact CD-OE2 3.37Å; R404-E407 IonicContact CZ-OE2 3.85Å; R404-E407 IonicContact NH1-OE2 2.85Å; R404-E407 PolarHBondContact NH1-OE2 3.4Å; R404-E407 PolarHBondContact O-N 3.26Å; E407-L409 VanDerWaalsContact C-N 3.34Å; E407-L409 PolarHBondContact O-N 3.14Å; E407-E410 PolarHBondContact O-N 3.13Å; E407-E411 WeakPolarHBondContact O-CB 3.37Å; E407-E411 WeakPolarHBondContact O-CG 3.15Å; E407-E411 PolarHBondContact O-N 2.91Å |
| 408 | L | 90.1 | Very high | 90.1 | Very high | 80 Ų | 80 | 103.7 Ų | 103.7 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -34.7 | 178.5 | -75.3 | 171.6 | 0 | 0 | 0 | 112.3 | R404 M405 E406 N412 | R404-L408 HydrophobicContact CG-CD1 4.3Å; R404-L408 WeakPolarHBondContact O-CB 3.45Å; R404-L408 VanDerWaalsContact O-CG 3.28Å; R404-L408 WeakPolarHBondContact O-CG 3.18Å; R404-L408 PolarHBondContact O-N 3.49Å; M405-L408 PolarHBondContact O-N 3.15Å; E406-L408 PolarHBondContact O-N 2.95Å; L408-N412 WeakPolarHBondContact O-CB 3.46Å; L408-N412 PolarHBondContact O-N 2.68Å |
| 409 | L | 90 | Very high | 89.6 | Confident | 122 Ų | 122 | 103.6 Ų | 103.6 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -40.3 | 173.8 | -76 | 169.2 | 0 | 0 | 0 | 111.1 | M405 E406 E407 N412 L413 | M405-L409 WeakPolarHBondContact O-CB 3.47Å; M405-L409 WeakPolarHBondContact O-CG 3.49Å; M405-L409 PolarHBondContact O-N 3.18Å; E406-L409 PolarHBondContact O-N 3.05Å; E407-L409 VanDerWaalsContact C-N 3.34Å; E407-L409 PolarHBondContact O-N 3.14Å; L409-N412 PolarHBondContact O-N 3.46Å; L409-L413 WeakPolarHBondContact O-CB 3.45Å; L409-L413 PolarHBondContact O-N 3.18Å |
| 410 | E | 90.1 | Very high | 89.2 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -48 | 173 | -71.8 | 178.8 | -179.5 | 0 | 0 | 111.4 | E406 E407 N412 L413 V414 | E406-E410 WeakPolarHBondContact O-CG 3.25Å; E406-E410 PolarHBondContact O-N 3.5Å; E407-E410 PolarHBondContact O-N 3.13Å; E410-N412 VanDerWaalsContact C-N 3.34Å; E410-N412 PolarHBondContact O-N 3.03Å; E410-L413 PolarHBondContact O-N 2.91Å; E410-V414 VanDerWaalsContact O-CG2 3.32Å; E410-V414 WeakPolarHBondContact O-CG2 3.49Å; E410-V414 PolarHBondContact O-N 3.43Å |
| 411 | E | 88.5 | Confident | 88.5 | Confident | 97 Ų | 97 | 108 Ų | 108 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 174.8 | -75.6 | 176.9 | -167.4 | 0 | 0 | 111.4 | E407 V414 L415 | E407-E411 WeakPolarHBondContact O-CB 3.37Å; E407-E411 WeakPolarHBondContact O-CG 3.15Å; E407-E411 PolarHBondContact O-N 2.91Å; E411-V414 PolarHBondContact O-N 3.3Å; E411-L415 WeakPolarHBondContact O-CG 3.29Å; E411-L415 PolarHBondContact O-N 3.5Å |
| 412 | N | 87.7 | Confident | 87.6 | Confident | 100 Ų | 100 | 106.2 Ų | 106.2 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | -179.7 | -157.1 | -2.8 | 0 | 0 | 0 | 111.6 | L408 L409 E410 V414 L415 E416 | L408-N412 WeakPolarHBondContact O-CB 3.46Å; L408-N412 PolarHBondContact O-N 2.68Å; L409-N412 PolarHBondContact O-N 3.46Å; E410-N412 VanDerWaalsContact C-N 3.34Å; E410-N412 PolarHBondContact O-N 3.03Å; N412-V414 VanDerWaalsContact C-N 3.34Å; N412-V414 PolarHBondContact O-N 3.05Å; N412-L415 PolarHBondContact O-N 2.93Å; N412-E416 WeakPolarHBondContact O-CB 3.48Å; N412-E416 PolarHBondContact O-N 3.35Å |
| 413 | L | 91.5 | Very high | 86.6 | Confident | 100 Ų | 100 | 106.3 Ų | 106.3 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 172.4 | -178.4 | 65.9 | 0 | 0 | 0 | 111.2 | L409 E410 E416 M417 | L409-L413 WeakPolarHBondContact O-CB 3.45Å; L409-L413 PolarHBondContact O-N 3.18Å; E410-L413 PolarHBondContact O-N 2.91Å; L413-E416 PolarHBondContact O-N 3.01Å; L413-M417 HydrophobicContact CG-SD 4.46Å; L413-M417 WeakPolarHBondContact O-CB 3.39Å; L413-M417 VanDerWaalsContact O-CG 3.26Å; L413-M417 WeakPolarHBondContact O-CG 3.35Å; L413-M417 PolarHBondContact O-N 2.97Å |
| 414 | V | 89.8 | Confident | 85.8 | Confident | 96 Ų | 96 | 104.8 Ų | 104.8 | 58% | 0.582 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | E410 E411 N412 M417 A418 | E410-V414 VanDerWaalsContact O-CG2 3.32Å; E410-V414 WeakPolarHBondContact O-CG2 3.49Å; E410-V414 PolarHBondContact O-N 3.43Å; E411-V414 PolarHBondContact O-N 3.3Å; N412-V414 VanDerWaalsContact C-N 3.34Å; N412-V414 PolarHBondContact O-N 3.05Å; V414-M417 PolarHBondContact O-N 2.98Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.94Å |
| 415 | L | 85.4 | Confident | 84.7 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 175.8 | -73.4 | 171 | 0 | 0 | 0 | 112.1 | E411 N412 A418 Q419 | E411-L415 WeakPolarHBondContact O-CG 3.29Å; E411-L415 PolarHBondContact O-N 3.5Å; N412-L415 PolarHBondContact O-N 2.93Å; L415-A418 PolarHBondContact O-N 3.27Å; L415-Q419 WeakPolarHBondContact O-CB 3.4Å; L415-Q419 PolarHBondContact O-N 3.28Å |
| 416 | E | 84.5 | Confident | 83.4 | Confident | 121 Ų | 121 | 103.1 Ų | 103.1 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | 176.7 | -166.4 | 175.7 | -163.2 | 0 | 0 | 111.1 | N412 L413 Q419 K420 | N412-E416 WeakPolarHBondContact O-CB 3.48Å; N412-E416 PolarHBondContact O-N 3.35Å; L413-E416 PolarHBondContact O-N 3.01Å; E416-Q419 PolarHBondContact O-N 3.24Å; E416-K420 WeakPolarHBondContact O-CB 3.16Å; E416-K420 PolarHBondContact O-N 3.3Å |
| 417 | M | 86.5 | Confident | 82 | Confident | 105 Ų | 105 | 104.2 Ų | 104.2 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 171.2 | -74.1 | -176.8 | 67.1 | 0 | 0 | 112 | L413 V414 K420 Q421 | L413-M417 HydrophobicContact CG-SD 4.46Å; L413-M417 WeakPolarHBondContact O-CB 3.39Å; L413-M417 VanDerWaalsContact O-CG 3.26Å; L413-M417 WeakPolarHBondContact O-CG 3.35Å; L413-M417 PolarHBondContact O-N 2.97Å; V414-M417 PolarHBondContact O-N 2.98Å; M417-K420 PolarHBondContact O-N 2.95Å; M417-Q421 WeakPolarHBondContact O-CB 3.49Å; M417-Q421 WeakPolarHBondContact O-CG 3.36Å; M417-Q421 PolarHBondContact O-N 3.16Å |
| 418 | A | 83.6 | Confident | 80.5 | Confident | 48 Ų | 48 | 105.3 Ų | 105.3 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V414 L415 K420 Q421 S422 | V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.94Å; L415-A418 PolarHBondContact O-N 3.27Å; A418-K420 VanDerWaalsContact C-N 3.34Å; A418-Q421 PolarHBondContact O-N 3.42Å; A418-S422 WeakPolarHBondContact O-CB 3.48Å; A418-S422 PolarHBondContact O-N 2.9Å |
| 419 | Q | 82.4 | Confident | 78.9 | Confident | 135 Ų | 135 | 106.3 Ų | 106.3 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.1 | -42.6 | 174 | -176.8 | -175.2 | 2.1 | 0 | 0 | 111.1 | L415 E416 S422 M423 | L415-Q419 WeakPolarHBondContact O-CB 3.4Å; L415-Q419 PolarHBondContact O-N 3.28Å; E416-Q419 PolarHBondContact O-N 3.24Å; Q419-S422 PolarHBondContact O-N 3.41Å; Q419-M423 PolarHBondContact O-N 2.66Å |
| 420 | K | 83.3 | Confident | 77.4 | Confident | 142 Ų | 142 | 102.5 Ų | 102.5 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.2 | -44.1 | 177.6 | -167.5 | 178.4 | 180 | -178.5 | 0 | 111.8 | E416 M417 A418 S422 M423 D424 | E416-K420 WeakPolarHBondContact O-CB 3.16Å; E416-K420 PolarHBondContact O-N 3.3Å; M417-K420 PolarHBondContact O-N 2.95Å; A418-K420 VanDerWaalsContact C-N 3.34Å; K420-S422 VanDerWaalsContact C-N 3.33Å; K420-S422 PolarHBondContact O-N 3.38Å; K420-M423 PolarHBondContact O-N 2.89Å; K420-D424 WeakPolarHBondContact O-CB 3.38Å; K420-D424 PolarHBondContact O-N 3.01Å |
| 421 | Q | 79.5 | Confident | 75.7 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 173.1 | -75.6 | 175.5 | -4.7 | 0 | 0 | 111.6 | M417 A418 M423 D424 E425 | M417-Q421 WeakPolarHBondContact O-CB 3.49Å; M417-Q421 WeakPolarHBondContact O-CG 3.36Å; M417-Q421 PolarHBondContact O-N 3.16Å; A418-Q421 PolarHBondContact O-N 3.42Å; Q421-M423 PolarHBondContact O-N 3.34Å; Q421-D424 PolarHBondContact O-N 2.81Å; Q421-E425 WeakPolarHBondContact O-CB 3.37Å; Q421-E425 WeakPolarHBondContact O-CG 3.49Å; Q421-E425 PolarHBondContact O-N 3.39Å |
| 422 | S | 73.5 | Confident | 74.1 | Confident | 64 Ų | 64 | 105.2 Ų | 105.2 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 175 | 176.6 | 0 | 0 | 0 | 0 | 113 | A418 Q419 K420 S426 | A418-S422 WeakPolarHBondContact O-CB 3.48Å; A418-S422 PolarHBondContact O-N 2.9Å; Q419-S422 PolarHBondContact O-N 3.41Å; K420-S422 VanDerWaalsContact C-N 3.33Å; K420-S422 PolarHBondContact O-N 3.38Å; S422-S426 WeakPolarHBondContact O-CB 3.24Å; S422-S426 PolarHBondContact O-N 3.49Å; S422-S426 PolarHBondContact O-OG 3.47Å |
| 423 | M | 73.6 | Confident | 72.1 | Confident | 118 Ų | 118 | 107 Ų | 107 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -41.2 | 173.2 | -84.9 | -82.4 | -88.6 | 0 | 0 | 111.9 | Q419 K420 Q421 S426 L427 | Q419-M423 PolarHBondContact O-N 2.66Å; K420-M423 PolarHBondContact O-N 2.89Å; Q421-M423 PolarHBondContact O-N 3.34Å; M423-S426 WeakPolarHBondContact O-CB 3.34Å; M423-S426 PolarHBondContact O-N 3.29Å; M423-L427 WeakPolarHBondContact O-CG 3.38Å; M423-L427 PolarHBondContact O-N 3.1Å |
| 424 | D | 76.5 | Confident | 70.1 | Confident | 91 Ų | 91 | 110.7 Ų | 110.7 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -39.5 | 176.9 | -70.7 | -23.5 | 0 | 0 | 0 | 111.4 | K420 Q421 S426 L427 H428 | K420-D424 WeakPolarHBondContact O-CB 3.38Å; K420-D424 PolarHBondContact O-N 3.01Å; Q421-D424 PolarHBondContact O-N 2.81Å; D424-S426 VanDerWaalsContact C-N 3.34Å; D424-L427 PolarHBondContact O-N 2.89Å; D424-H428 WeakPolarHBondContact O-CB 3.28Å; D424-H428 PolarHBondContact O-N 3.31Å |
| 425 | E | 71.3 | Confident | 67.9 | Low | 124 Ų | 124 | 113.8 Ų | 113.8 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.6 | -41.1 | 170.3 | -76.2 | 175.3 | 179.1 | 0 | 0 | 111.2 | Q421 L427 H428 L429 | Q421-E425 WeakPolarHBondContact O-CB 3.37Å; Q421-E425 WeakPolarHBondContact O-CG 3.49Å; Q421-E425 PolarHBondContact O-N 3.39Å; E425-L427 VanDerWaalsContact C-N 3.34Å; E425-L427 PolarHBondContact O-N 3.37Å; E425-H428 PolarHBondContact O-N 3.23Å; E425-L429 WeakPolarHBondContact O-CB 3.24Å; E425-L429 VanDerWaalsContact O-CD1 3.3Å; E425-L429 WeakPolarHBondContact O-CD1 3.27Å; E425-L429 PolarHBondContact O-N 2.89Å |
| 426 | S | 60.5 | Low | 65.6 | Low | 71 Ų | 71 | 115.7 Ų | 115.7 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.5 | -35 | 177 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | S422 M423 D424 G430 | S422-S426 WeakPolarHBondContact O-CB 3.24Å; S422-S426 PolarHBondContact O-N 3.49Å; S422-S426 PolarHBondContact O-OG 3.47Å; M423-S426 WeakPolarHBondContact O-CB 3.34Å; M423-S426 PolarHBondContact O-N 3.29Å; D424-S426 VanDerWaalsContact C-N 3.34Å; S426-G430 PolarHBondContact O-N 3.23Å |
| 427 | L | 62.9 | Low | 63.3 | Low | 124 Ų | 124 | 114.7 Ų | 114.7 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.8 | -33 | 173.4 | -74.3 | 166.9 | 0 | 0 | 0 | 112.1 | M423 D424 E425 G430 W431 | M423-L427 WeakPolarHBondContact O-CG 3.38Å; M423-L427 PolarHBondContact O-N 3.1Å; D424-L427 PolarHBondContact O-N 2.89Å; E425-L427 VanDerWaalsContact C-N 3.34Å; E425-L427 PolarHBondContact O-N 3.37Å; L427-G430 PolarHBondContact O-N 3.27Å; L427-W431 PolarHBondContact O-N 3.2Å |
| 428 | H | 59.5 | Low | 60.7 | Low | 111 Ų | 111 | 118.7 Ų | 118.7 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.4 | -41.1 | 176 | -154.6 | 45.4 | 0 | 0 | 0 | 112 | D424 E425 G430 W431 E432 | D424-H428 WeakPolarHBondContact O-CB 3.28Å; D424-H428 PolarHBondContact O-N 3.31Å; E425-H428 PolarHBondContact O-N 3.23Å; H428-G430 VanDerWaalsContact C-N 3.32Å; H428-G430 PolarHBondContact O-N 3.12Å; H428-W431 PolarHBondContact O-N 3.33Å; H428-E432 PolarHBondContact O-N 3.25Å |
| 429 | L | 56.5 | Low | 57.9 | Low | 102 Ų | 102 | 123.1 Ų | 123.1 | 53% | 0.534 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.5 | -33.1 | 170.7 | -90.4 | 123.2 | 0 | 0 | 0 | 112.6 | E425 W431 E432 L433 | E425-L429 WeakPolarHBondContact O-CB 3.24Å; E425-L429 VanDerWaalsContact O-CD1 3.3Å; E425-L429 WeakPolarHBondContact O-CD1 3.27Å; E425-L429 PolarHBondContact O-N 2.89Å; L429-W431 VanDerWaalsContact C-N 3.32Å; L429-W431 PolarHBondContact O-N 3.35Å; L429-E432 PolarHBondContact O-N 2.82Å; L429-L433 WeakPolarHBondContact O-CB 3.33Å; L429-L433 WeakPolarHBondContact O-CD1 3.44Å; L429-L433 WeakPolarHBondContact O-CG 3.48Å; L429-L433 PolarHBondContact O-N 2.85Å |
| 430 | G | 57.8 | Low | 56.3 | Low | 42 Ų | 42 | 122 Ų | 122 | 43% | 0.433 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.6 | -31.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S426 L427 H428 | S426-G430 PolarHBondContact O-N 3.23Å; L427-G430 PolarHBondContact O-N 3.27Å; H428-G430 VanDerWaalsContact C-N 3.32Å; H428-G430 PolarHBondContact O-N 3.12Å |
| 431 | W | 55.6 | Low | 53.8 | Low | 181 Ų | 181 | 123.2 Ų | 123.2 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.5 | -33.5 | 175.4 | -176.1 | 78.6 | 0 | 0 | 0 | 112.4 | L427 H428 L429 L433 | L427-W431 PolarHBondContact O-N 3.2Å; H428-W431 PolarHBondContact O-N 3.33Å; L429-W431 VanDerWaalsContact C-N 3.32Å; L429-W431 PolarHBondContact O-N 3.35Å; W431-L433 VanDerWaalsContact C-N 3.31Å; W431-L433 PolarHBondContact O-N 3.3Å |
| 432 | E | 54.4 | Low | 51.7 | Low | 105 Ų | 105 | 124.3 Ų | 124.3 | 49% | 0.491 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -72.4 | -22 | 173.8 | -70.1 | -175.8 | 153.2 | 0 | 0 | 113.1 | H428 L429 E434 | H428-E432 PolarHBondContact O-N 3.25Å; L429-E432 PolarHBondContact O-N 2.82Å; E432-E434 PolarHBondContact O-N 2.87Å |
| 433 | L | 46.4 | Very low | 50 | Low | 139 Ų | 139 | 127.3 Ų | 127.3 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -11.4 | 178.2 | -93.4 | 159.6 | 0 | 0 | 0 | 115.5 | L429 W431 | L429-L433 WeakPolarHBondContact O-CB 3.33Å; L429-L433 WeakPolarHBondContact O-CD1 3.44Å; L429-L433 WeakPolarHBondContact O-CG 3.48Å; L429-L433 PolarHBondContact O-N 2.85Å; W431-L433 VanDerWaalsContact C-N 3.31Å; W431-L433 PolarHBondContact O-N 3.3Å |
| 434 | E | 48.6 | Very low | 48.3 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -1.6 | 179.4 | -150.6 | 167.5 | -162.5 | 0 | 0 | 113.5 | E432 | E432-E434 PolarHBondContact O-N 2.87Š|
| 435 | Q | 44.1 | Very low | 46.4 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -119.8 | 3.6 | -177.9 | -79.6 | -70.9 | -1.4 | 0 | 0 | 116 | ||
| 436 | L | 37.6 | Very low | 45.6 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 69% | 0.694 | S | S | * | * | trans | -123.8 | 94.6 | 176 | -75.8 | 168.5 | 0 | 0 | 0 | 112.5 | ||||
| 437 | S | 35.8 | Very low | 45.2 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | -56.9 | 149.7 | 175.3 | 60.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 438 | K | 30.6 | Very low | 43.7 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | 66.9 | 130.6 | 149.8 | -70.5 | 174.4 | 177.8 | 175.5 | 0 | 118.7 | ||||
| 439 | T | 25.7 | Very low | 42.9 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 87% | 0.871 | 74% | 0.744 | S | S | * | * | trans | 76 | 153.3 | 155.3 | 42.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 440 | P | 48.2 | Very low | 42.8 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -107.4 | 171.9 | -149.6 | 39.2 | -29.5 | 0 | 0 | 0 | 116.1 | ||||
| 441 | E | 30.8 | Very low | 42 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 122.9 | 124.5 | 148.5 | -71.7 | -179.6 | 176.1 | 0 | 0 | 120.8 | ||||
| 442 | L | 35.4 | Very low | 41.6 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | 74.8 | 138 | 129.4 | -71.2 | 165.1 | 0 | 0 | 0 | 127.2 | |||||
| 443 | T | 37.3 | Very low | 41.4 | Very low | 126 Ų | 126 | 149 Ų | 149 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 74.7 | 158.1 | 143.3 | 51.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 444 | D | 38.7 | Very low | 41.7 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | cis | 177.9 | 145.4 | -25.5 | -164.6 | 12.4 | 0 | 0 | 0 | 110.1 | ||||
| 445 | A | 37.4 | Very low | 41.6 | Very low | 79 Ų | 79 | 148.2 Ų | 148.2 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | trans | 62.1 | 174 | 148.9 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 446 | P | 54 | Low | 41.8 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | -148.2 | -175.7 | -50.1 | 43.4 | -24.4 | 0 | 0 | 0 | 120.5 | |||||
| 447 | Q | 51.7 | Low | 42.3 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -35.9 | 175.5 | 174 | -72.3 | 178.6 | -33.7 | 0 | 0 | 129.1 | ||||
| 448 | K | 31.3 | Very low | 43.2 | Very low | 221 Ų | 221 | 152.1 Ų | 152.1 | 96% | 0.961 | 83% | 0.83 | S | S | * | * | trans | -162.2 | 169.2 | 140.7 | -104.6 | 173.9 | -170.1 | -178.4 | 0 | 118.3 | ||||
| 449 | S | 43.4 | Very low | 44 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -129.3 | 173.5 | -144.2 | 179.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 450 | L | 53.1 | Low | 45.4 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -112.3 | 143.8 | -167.3 | -148.5 | 118 | 0 | 0 | 0 | 115.1 | ||||
| 451 | G | 42.3 | Very low | 46 | Very low | 68 Ų | 68 | 152.8 Ų | 152.8 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | trans | 150.7 | 93.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 452 | E | 46 | Very low | 47.4 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 95% | 0.953 | 84% | 0.835 | S | S | * | * | trans | -160.2 | 19.6 | 169.6 | -120 | 165.6 | -156.9 | 0 | 0 | 117.2 | ||||
| 453 | E | 51 | Low | 48.8 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -109.4 | 12.4 | -164.4 | -136.1 | 174.2 | -156.8 | 0 | 0 | 117.9 | ||||
| 454 | V | 51.9 | Low | 50.4 | Low | 137 Ų | 137 | 154.6 Ų | 154.6 | 83% | 0.83 | 83% | 0.834 | S | S | * | * | trans | -130.7 | 61.9 | -167.9 | -168.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 455 | N | 46.5 | Very low | 51.6 | Low | 164 Ų | 164 | 153.6 Ų | 153.6 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -144.5 | 10.5 | 173.9 | -130.2 | 17.2 | 0 | 0 | 0 | 118.8 | ||
| 456 | E | 48.2 | Very low | 52.9 | Low | 194 Ų | 194 | 157 Ų | 157 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -112.6 | 8.9 | -167.9 | -132.1 | 176.9 | -178.6 | 0 | 0 | 117.8 | ||
| 457 | L | 49.9 | Very low | 53.7 | Low | 168 Ų | 168 | 159 Ų | 159 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -118.6 | 12.1 | -167.2 | -89.3 | 169.4 | 0 | 0 | 0 | 119.5 | ||
| 458 | T | 53.2 | Low | 54.7 | Low | 134 Ų | 134 | 156.7 Ų | 156.7 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -112.4 | 0.5 | -170.2 | 16.5 | 0 | 0 | 0 | 0 | 118.1 | ||
| 459 | S | 48.8 | Very low | 56.2 | Low | 121 Ų | 121 | 152 Ų | 152 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -107.1 | -7.7 | -168.5 | -53.8 | 0 | 0 | 0 | 0 | 117.5 | ||
| 460 | S | 54.4 | Low | 57.3 | Low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -96.5 | -8.8 | -168.4 | 63.9 | 0 | 0 | 0 | 0 | 116.5 | ||
| 461 | R | 60.5 | Low | 58.1 | Low | 226 Ų | 226 | 148.6 Ų | 148.6 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -94.1 | -14 | -167.7 | -153.9 | 169.5 | -176.7 | 169.3 | 0.4 | 115.6 | ||
| 462 | L | 59.8 | Low | 58.9 | Low | 157 Ų | 157 | 151.2 Ų | 151.2 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -85.6 | -32.4 | -172.5 | -152.9 | 82.4 | 0 | 0 | 0 | 114 | K464 | L462-K464 PolarHBondContact O-N 2.87Š|
| 463 | L | 66.1 | Low | 59.7 | Low | 134 Ų | 134 | 147.8 Ų | 147.8 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -16.6 | -172 | -161 | 75.5 | 0 | 0 | 0 | 114.5 | ||
| 464 | K | 70.3 | Confident | 60.3 | Low | 179 Ų | 179 | 146.2 Ų | 146.2 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -27.7 | -173.7 | -129.7 | 175.8 | -176.5 | 179.8 | 0 | 113.3 | L462 | L462-K464 PolarHBondContact O-N 2.87Š|
| 465 | L | 63.1 | Low | 61.2 | Low | 127 Ų | 127 | 146.6 Ų | 146.6 | 67% | 0.665 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -83.4 | -19.3 | -175.4 | -74.9 | 166.2 | 0 | 0 | 0 | 113.7 | ||
| 466 | E | 65.8 | Low | 61.9 | Low | 151 Ų | 151 | 142.9 Ų | 142.9 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -79.8 | -26.2 | -176.3 | -138.3 | 170 | -166.7 | 0 | 0 | 113 | ||
| 467 | K | 70.1 | Confident | 62.5 | Low | 169 Ų | 169 | 141.2 Ų | 141.2 | 74% | 0.735 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -81 | -22.9 | -179.1 | -78 | -173.4 | 175.7 | -179.7 | 0 | 114.7 | ||
| 468 | E | 72.6 | Confident | 63 | Low | 137 Ų | 137 | 139.8 Ų | 139.8 | 64% | 0.64 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -77.3 | -27.6 | -178.3 | -77 | 179.1 | 161.6 | 0 | 0 | 112.9 | ||
| 469 | N | 64.1 | Low | 63.2 | Low | 122 Ų | 122 | 139.4 Ų | 139.4 | 65% | 0.652 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77.6 | -25.7 | -174.7 | -132.6 | -16.1 | 0 | 0 | 0 | 113.6 | ||
| 470 | Q | 64.7 | Low | 63.5 | Low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.3 | -23.7 | 176.3 | -82.5 | -177.1 | -8.8 | 0 | 0 | 113.8 | ||
| 471 | A | 71.2 | Confident | 63.6 | Low | 66 Ų | 66 | 140 Ų | 140 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -76.4 | -26.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 472 | L | 59.1 | Low | 63.5 | Low | 122 Ų | 122 | 134.1 Ų | 134.1 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -80.4 | -30 | -175.6 | -71.3 | 170.4 | 0 | 0 | 0 | 113.6 | K474 K475 | L472-K474 PolarHBondContact O-N 2.89Å; L472-K475 PolarHBondContact O-N 3Å |
| 473 | L | 61.6 | Low | 63.3 | Low | 133 Ų | 133 | 129.2 Ų | 129.2 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.8 | -33.9 | 178.3 | -79.5 | 163.2 | 0 | 0 | 0 | 112.8 | K475 V476 | L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 2.7Å; L473-V476 PolarHBondContact O-N 2.94Å |
| 474 | K | 65.5 | Low | 62.9 | Low | 158 Ų | 158 | 127.4 Ų | 127.4 | 69% | 0.687 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.8 | -24.6 | -179.2 | -143.4 | 176.6 | -174.5 | -178.1 | 0 | 113.4 | L472 | L472-K474 PolarHBondContact O-N 2.89Å |
| 475 | K | 69.5 | Low | 62.3 | Low | 144 Ų | 144 | 127.1 Ų | 127.1 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77 | -21.4 | -179.6 | -149.2 | 88.3 | 179.5 | -179 | 0 | 113.2 | L472 L473 | L472-K475 PolarHBondContact O-N 3Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 2.7Å |
| 476 | V | 60.5 | Low | 62.2 | Low | 86 Ų | 86 | 125.2 Ų | 125.2 | 52% | 0.521 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -86.3 | -29.3 | -174.3 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | L473 | L473-V476 PolarHBondContact O-N 2.94Å |
| 477 | E | 61.8 | Low | 62 | Low | 160 Ų | 160 | 123 Ų | 123 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.1 | -31.4 | 177.7 | -85 | 174.4 | 152.9 | 0 | 0 | 113.3 | L479 | E477-L479 VanDerWaalsContact C-N 3.3Å; E477-L479 PolarHBondContact O-N 2.68Å |
| 478 | E | 60.2 | Low | 61.6 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 64% | 0.64 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -22.4 | 177.6 | -70.2 | 177.2 | 172.3 | 0 | 0 | 113.3 | ||
| 479 | L | 57.5 | Low | 61.4 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 67% | 0.665 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -11.2 | -177.6 | -72.8 | 170.6 | 0 | 0 | 0 | 114.6 | E477 | E477-L479 VanDerWaalsContact C-N 3.3Å; E477-L479 PolarHBondContact O-N 2.68Å |
| 480 | K | 54.6 | Low | 61.7 | Low | 173 Ų | 173 | 115.2 Ų | 115.2 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -17.6 | -178.8 | -78.3 | -176.3 | 176.9 | 178.3 | 0 | 114.7 | ||
| 481 | G | 57.2 | Low | 62 | Low | 69 Ų | 69 | 113.6 Ų | 113.6 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -86.2 | -26.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 482 | T | 57.5 | Low | 62 | Low | 102 Ų | 102 | 114.6 Ų | 114.6 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -93.2 | -13.4 | -172.3 | 47.3 | 0 | 0 | 0 | 0 | 114.6 | S484 | T482-S484 PolarHBondContact O-N 3.46Š|
| 483 | A | 57.3 | Low | 62.9 | Low | 54 Ų | 54 | 116.1 Ų | 116.1 | 45% | 0.446 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -76.1 | -18.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N487 | A483-N487 PolarHBondContact O-ND2 3.23Å; A483-N487 VanDerWaalsContact O-ND2 3.16Å |
| 484 | S | 56.7 | Low | 63.5 | Low | 96 Ų | 96 | 111.9 Ų | 111.9 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -89.9 | -36.8 | -169.3 | -161.2 | 0 | 0 | 0 | 0 | 114.4 | T482 | T482-S484 PolarHBondContact O-N 3.46Å |
| 485 | Q | 57.6 | Low | 63.9 | Low | 173 Ų | 173 | 109.9 Ų | 109.9 | 81% | 0.808 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -82.8 | -30 | 179.4 | -77.9 | 179.2 | -21.2 | 0 | 0 | 113.6 | T488 | Q485-T488 PolarHBondContact O-OG1 3.27Å |
| 486 | D | 60.7 | Low | 64.3 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 47% | 0.465 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74.8 | -26.4 | -179.1 | -149.3 | 29.6 | 0 | 0 | 0 | 112.1 | K490 | D486-K490 WeakPolarHBondContact O-CB 3.4Å; D486-K490 WeakPolarHBondContact O-CD 3.41Å; D486-K490 VanDerWaalsContact O-CG 3.26Å; D486-K490 WeakPolarHBondContact O-CG 3.48Å; D486-K490 PolarHBondContact O-N 3.32Å; D486-K490 VanDerWaalsContact OD2-CE 3.23Å; D486-K490 WeakPolarHBondContact OD2-CE 3.35Å; D486-K490 IonicContact OD2-NZ 2.71Å; D486-K490 PolarHBondContact OD2-NZ 2.7Å |
| 487 | N | 62.4 | Low | 65.3 | Low | 105 Ų | 105 | 111.2 Ų | 111.2 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.5 | -37 | 176.5 | -86.1 | -13.4 | 0 | 0 | 0 | 113.1 | A483 K490 L491 | A483-N487 PolarHBondContact O-ND2 3.23Å; A483-N487 VanDerWaalsContact O-ND2 3.16Å; N487-K490 PolarHBondContact O-N 3.35Å; N487-L491 WeakPolarHBondContact O-CB 3.27Å; N487-L491 PolarHBondContact O-N 2.81Å; N487-L491 VanDerWaalsContact O-N 3.08Å |
| 488 | T | 62.2 | Low | 66.2 | Low | 95 Ų | 95 | 107.7 Ų | 107.7 | 58% | 0.583 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.8 | -33.9 | 178.9 | 28.8 | 0 | 0 | 0 | 0 | 113.7 | Q485 | Q485-T488 PolarHBondContact O-OG1 3.27Å |
| 489 | A | 67.7 | Low | 67.1 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.1 | -29.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | T492 K493 | A489-T492 PolarHBondContact O-OG1 3.4Å; A489-K493 PolarHBondContact O-N 3.5Å |
| 490 | K | 71.2 | Confident | 68.4 | Low | 115 Ų | 115 | 108.6 Ų | 108.6 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.2 | -37.9 | 172 | -73.9 | 171.3 | -170.1 | 166.4 | 0 | 111.9 | D486 N487 T492 K493 A494 | D486-K490 WeakPolarHBondContact O-CB 3.4Å; D486-K490 WeakPolarHBondContact O-CD 3.41Å; D486-K490 VanDerWaalsContact O-CG 3.26Å; D486-K490 WeakPolarHBondContact O-CG 3.48Å; D486-K490 PolarHBondContact O-N 3.32Å; D486-K490 VanDerWaalsContact OD2-CE 3.23Å; D486-K490 WeakPolarHBondContact OD2-CE 3.35Å; D486-K490 IonicContact OD2-NZ 2.71Å; D486-K490 PolarHBondContact OD2-NZ 2.7Å; N487-K490 PolarHBondContact O-N 3.35Å; K490-T492 PolarHBondContact O-N 3.34Å; K490-K493 PolarHBondContact O-N 3.06Å; K490-A494 VanDerWaalsContact O-CB 3.26Å; K490-A494 WeakPolarHBondContact O-CB 3.38Å; K490-A494 PolarHBondContact O-N 3.13Å |
| 491 | L | 70 | Confident | 69.8 | Low | 128 Ų | 128 | 104.8 Ų | 104.8 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -38 | -179.7 | -160.5 | 76.3 | 0 | 0 | 0 | 112.7 | N487 N495 | N487-L491 WeakPolarHBondContact O-CB 3.27Å; N487-L491 PolarHBondContact O-N 2.81Å; N487-L491 VanDerWaalsContact O-N 3.08Å; L491-N495 WeakPolarHBondContact O-CB 3.39Å; L491-N495 PolarHBondContact O-N 3.27Å |
| 492 | T | 71.1 | Confident | 70.9 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.8 | -37.9 | 178.8 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | A489 K490 N495 Q496 | A489-T492 PolarHBondContact O-OG1 3.4Å; K490-T492 PolarHBondContact O-N 3.34Å; T492-N495 PolarHBondContact O-N 2.77Å; T492-Q496 PolarHBondContact O-N 3.31Å |
| 493 | K | 77.2 | Confident | 72.2 | Confident | 154 Ų | 154 | 106 Ų | 106 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -44.5 | 170.7 | -79.8 | -174.3 | 177.1 | 178.4 | 0 | 111.9 | A489 K490 N495 Q496 E497 | A489-K493 PolarHBondContact O-N 3.5Å; K490-K493 PolarHBondContact O-N 3.06Å; K493-N495 PolarHBondContact O-N 3.02Å; K493-Q496 PolarHBondContact O-N 2.99Å; K493-E497 WeakPolarHBondContact O-CB 3.41Å; K493-E497 PolarHBondContact O-N 3.17Å |
| 494 | A | 74.6 | Confident | 73.6 | Confident | 45 Ų | 45 | 109.4 Ų | 109.4 | 37% | 0.372 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.5 | -34.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K490 N498 | K490-A494 VanDerWaalsContact O-CB 3.26Å; K490-A494 WeakPolarHBondContact O-CB 3.38Å; K490-A494 PolarHBondContact O-N 3.13Å; A494-N498 WeakPolarHBondContact O-CB 3.37Å; A494-N498 PolarHBondContact O-N 2.77Å |
| 495 | N | 74.6 | Confident | 74.9 | Confident | 116 Ų | 116 | 109.1 Ų | 109.1 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.1 | -40 | 177.4 | -127.5 | 4.1 | 0 | 0 | 0 | 112.9 | L491 T492 K493 E497 N498 Q499 | L491-N495 WeakPolarHBondContact O-CB 3.39Å; L491-N495 PolarHBondContact O-N 3.27Å; T492-N495 PolarHBondContact O-N 2.77Å; K493-N495 PolarHBondContact O-N 3.02Å; N495-E497 VanDerWaalsContact C-N 3.33Å; N495-N498 PolarHBondContact O-N 3.22Å; N495-Q499 PolarHBondContact O-N 3.45Å |
| 496 | Q | 78.6 | Confident | 76.2 | Confident | 129 Ų | 129 | 106.8 Ų | 106.8 | 60% | 0.603 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.5 | -35.4 | 174 | -72.8 | -179.2 | -9.8 | 0 | 0 | 112.2 | T492 K493 Q499 K500 | T492-Q496 PolarHBondContact O-N 3.31Å; K493-Q496 PolarHBondContact O-N 2.99Å; Q496-Q499 PolarHBondContact O-N 2.89Å; Q496-K500 PolarHBondContact O-N 2.84Å |
| 497 | E | 81.2 | Confident | 77.3 | Confident | 128 Ų | 128 | 109.6 Ų | 109.6 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.1 | -40.7 | 175.8 | -156.3 | 162.9 | -148.9 | 0 | 0 | 111.2 | K493 N495 Q499 K500 L501 | K493-E497 WeakPolarHBondContact O-CB 3.41Å; K493-E497 PolarHBondContact O-N 3.17Å; N495-E497 VanDerWaalsContact C-N 3.33Å; E497-Q499 VanDerWaalsContact C-N 3.31Å; E497-Q499 PolarHBondContact O-N 3.47Å; E497-K500 PolarHBondContact O-N 3.48Å; E497-L501 WeakPolarHBondContact O-CB 3.18Å; E497-L501 VanDerWaalsContact O-CG 3.29Å; E497-L501 WeakPolarHBondContact O-CG 3.46Å; E497-L501 PolarHBondContact O-N 2.88Å |
| 498 | N | 79.1 | Confident | 78.4 | Confident | 86 Ų | 86 | 108.6 Ų | 108.6 | 46% | 0.46 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -40 | 170.4 | -100.9 | -37.5 | 0 | 0 | 0 | 112.5 | A494 N495 K500 L501 N502 | A494-N498 WeakPolarHBondContact O-CB 3.37Å; A494-N498 PolarHBondContact O-N 2.77Å; N495-N498 PolarHBondContact O-N 3.22Å; N498-K500 PolarHBondContact O-N 3.47Å; N498-L501 PolarHBondContact O-N 3.08Å; N498-N502 WeakPolarHBondContact O-CB 3.47Å; N498-N502 PolarHBondContact O-N 2.83Å |
| 499 | Q | 80.6 | Confident | 79.4 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 178.7 | -145.8 | 175.9 | 15.2 | 0 | 0 | 112.1 | N495 Q496 E497 Q503 | N495-Q499 PolarHBondContact O-N 3.45Å; Q496-Q499 PolarHBondContact O-N 2.89Å; E497-Q499 VanDerWaalsContact C-N 3.31Å; E497-Q499 PolarHBondContact O-N 3.47Å; Q499-Q503 WeakPolarHBondContact O-CG 3.31Å; Q499-Q503 PolarHBondContact O-N 3.23Å |
| 500 | K | 85.1 | Confident | 80.2 | Confident | 151 Ų | 151 | 112.3 Ų | 112.3 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.8 | -38 | 173 | -72.3 | 178.2 | -178.5 | 177 | 0 | 112.5 | Q496 E497 N498 Q503 K504 | Q496-K500 PolarHBondContact O-N 2.84Å; E497-K500 PolarHBondContact O-N 3.48Å; N498-K500 PolarHBondContact O-N 3.47Å; K500-Q503 PolarHBondContact O-N 3.31Å; K500-K504 WeakPolarHBondContact O-CB 3.37Å; K500-K504 PolarHBondContact O-N 2.89Å; K500-K504 VanDerWaalsContact O-N 3.07Å |
| 501 | L | 82.6 | Confident | 81 | Confident | 93 Ų | 93 | 112.3 Ų | 112.3 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 175.7 | -73.4 | 169.7 | 0 | 0 | 0 | 111.3 | E497 N498 K504 L505 | E497-L501 WeakPolarHBondContact O-CB 3.18Å; E497-L501 VanDerWaalsContact O-CG 3.29Å; E497-L501 WeakPolarHBondContact O-CG 3.46Å; E497-L501 PolarHBondContact O-N 2.88Å; N498-L501 PolarHBondContact O-N 3.08Å; L501-K504 CarbonylContact O-C 3.58Å; L501-K504 WeakPolarHBondContact O-CB 3.43Å; L501-K504 PolarHBondContact O-N 3.48Å; L501-K504 VanDerWaalsContact O-N 3.13Å; L501-L505 WeakPolarHBondContact O-CB 3.45Å; L501-L505 PolarHBondContact O-N 3.43Å |
| 502 | N | 82.1 | Confident | 81.8 | Confident | 98 Ų | 98 | 110.8 Ų | 110.8 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 174.4 | -81.1 | -8.2 | 0 | 0 | 0 | 112.2 | N498 K504 L505 E506 | N498-N502 WeakPolarHBondContact O-CB 3.47Å; N498-N502 PolarHBondContact O-N 2.83Å; N502-K504 PolarHBondContact O-N 3.37Å; N502-L505 WeakPolarHBondContact O-CB 3.41Å; N502-L505 PolarHBondContact O-N 3.31Å; N502-E506 WeakPolarHBondContact O-CB 3.25Å; N502-E506 PolarHBondContact O-N 3.01Å |
| 503 | Q | 83.8 | Confident | 82.7 | Confident | 98 Ų | 98 | 112 Ų | 112 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -27.2 | 174 | -71.7 | 178.4 | 1.8 | 0 | 0 | 112.9 | Q499 K500 R507 | Q499-Q503 WeakPolarHBondContact O-CG 3.31Å; Q499-Q503 PolarHBondContact O-N 3.23Å; K500-Q503 PolarHBondContact O-N 3.31Å; Q503-R507 WeakPolarHBondContact O-CG 3.41Å; Q503-R507 PolarHBondContact O-N 3.39Å; Q503-R507 PolarHBondContact O-NE 2.73Å |
| 504 | K | 86.8 | Confident | 83.2 | Confident | 127 Ų | 127 | 109 Ų | 109 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -79.2 | -38.3 | 175.2 | -164.6 | 173.2 | -178 | -179.1 | 0 | 111.4 | K500 L501 N502 R507 L508 | K500-K504 WeakPolarHBondContact O-CB 3.37Å; K500-K504 PolarHBondContact O-N 2.89Å; K500-K504 VanDerWaalsContact O-N 3.07Å; L501-K504 CarbonylContact O-C 3.58Å; L501-K504 WeakPolarHBondContact O-CB 3.43Å; L501-K504 PolarHBondContact O-N 3.48Å; L501-K504 VanDerWaalsContact O-N 3.13Å; N502-K504 PolarHBondContact O-N 3.37Å; K504-R507 PolarHBondContact O-N 3.05Å; K504-L508 HydrophobicContact CG-CD1 4.26Å; K504-L508 WeakPolarHBondContact O-CB 3.35Å; K504-L508 VanDerWaalsContact O-CG 3.26Å; K504-L508 WeakPolarHBondContact O-CG 3.36Å; K504-L508 PolarHBondContact O-N 3.2Å |
| 505 | L | 83.4 | Confident | 83.7 | Confident | 90 Ų | 90 | 111.8 Ų | 111.8 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 172 | -90.3 | 164.8 | 0 | 0 | 0 | 111.1 | L501 N502 R507 L508 E509 | L501-L505 WeakPolarHBondContact O-CB 3.45Å; L501-L505 PolarHBondContact O-N 3.43Å; N502-L505 WeakPolarHBondContact O-CB 3.41Å; N502-L505 PolarHBondContact O-N 3.31Å; L505-R507 VanDerWaalsContact C-N 3.33Å; L505-R507 PolarHBondContact O-N 2.84Å; L505-L508 CarbonylContact O-C 3.54Å; L505-L508 PolarHBondContact O-N 3.41Å; L505-E509 WeakPolarHBondContact O-CB 3.39Å; L505-E509 WeakPolarHBondContact O-CG 3.44Å; L505-E509 PolarHBondContact O-N 3.34Å |
| 506 | E | 85.1 | Confident | 84.2 | Confident | 123 Ų | 123 | 113.8 Ų | 113.8 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.5 | -36.3 | 179.7 | -165.1 | 174.9 | -159.8 | 0 | 0 | 112.3 | N502 N510 | N502-E506 WeakPolarHBondContact O-CB 3.25Å; N502-E506 PolarHBondContact O-N 3.01Å; E506-N510 PolarHBondContact O-N 3.28Å; E506-N510 PolarHBondContact O-ND2 3.38Å |
| 507 | R | 85 | Confident | 84.4 | Confident | 146 Ų | 146 | 112.9 Ų | 112.9 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.4 | -43.7 | 172 | -70.4 | 179.8 | -141.2 | 141.3 | 6.6 | 112.1 | Q503 K504 L505 E509 N510 E511 | Q503-R507 WeakPolarHBondContact O-CG 3.41Å; Q503-R507 PolarHBondContact O-N 3.39Å; Q503-R507 PolarHBondContact O-NE 2.73Å; K504-R507 PolarHBondContact O-N 3.05Å; L505-R507 VanDerWaalsContact C-N 3.33Å; L505-R507 PolarHBondContact O-N 2.84Å; R507-E509 VanDerWaalsContact C-N 3.32Å; R507-E509 PolarHBondContact O-N 3.16Å; R507-N510 PolarHBondContact O-N 2.97Å; R507-E511 WeakPolarHBondContact O-CG 3.39Å; R507-E511 PolarHBondContact O-N 3.14Å |
| 508 | L | 85.6 | Confident | 84.5 | Confident | 85 Ų | 85 | 109.6 Ų | 109.6 | 45% | 0.445 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 177.4 | -73.2 | 169.3 | 0 | 0 | 0 | 111.6 | K504 L505 E511 L512 | K504-L508 HydrophobicContact CG-CD1 4.26Å; K504-L508 WeakPolarHBondContact O-CB 3.35Å; K504-L508 VanDerWaalsContact O-CG 3.26Å; K504-L508 WeakPolarHBondContact O-CG 3.36Å; K504-L508 PolarHBondContact O-N 3.2Å; L505-L508 CarbonylContact O-C 3.54Å; L505-L508 PolarHBondContact O-N 3.41Å; L508-E511 PolarHBondContact O-N 3.03Å; L508-L512 VanDerWaalsContact O-CB 3.23Å; L508-L512 WeakPolarHBondContact O-CB 3.4Å; L508-L512 PolarHBondContact O-N 3.1Å |
| 509 | E | 81.9 | Confident | 84.8 | Confident | 130 Ų | 130 | 110.3 Ų | 110.3 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 175.2 | -79.8 | -179.7 | 162.8 | 0 | 0 | 111.9 | L505 R507 L512 M513 | L505-E509 WeakPolarHBondContact O-CB 3.39Å; L505-E509 WeakPolarHBondContact O-CG 3.44Å; L505-E509 PolarHBondContact O-N 3.34Å; R507-E509 VanDerWaalsContact C-N 3.32Å; R507-E509 PolarHBondContact O-N 3.16Å; E509-L512 PolarHBondContact O-N 3.35Å; E509-M513 WeakPolarHBondContact O-CB 3.34Å; E509-M513 PolarHBondContact O-N 3.45Å |
| 510 | N | 85.7 | Confident | 85 | Confident | 98 Ų | 98 | 111.8 Ų | 111.8 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 173.9 | -73.1 | -40 | 0 | 0 | 0 | 111.9 | E506 R507 M513 V514 | E506-N510 PolarHBondContact O-N 3.28Å; E506-N510 PolarHBondContact O-ND2 3.38Å; R507-N510 PolarHBondContact O-N 2.97Å; N510-M513 WeakPolarHBondContact O-CB 3.45Å; N510-M513 PolarHBondContact O-N 3.46Å; N510-V514 WeakPolarHBondContact O-CG2 3.36Å; N510-V514 PolarHBondContact O-N 3.08Å |
| 511 | E | 86 | Confident | 85 | Confident | 115 Ų | 115 | 107.9 Ų | 107.9 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 173.8 | -74.3 | 172.2 | -173.4 | 0 | 0 | 111.3 | R507 L508 M513 V514 D515 | R507-E511 WeakPolarHBondContact O-CG 3.39Å; R507-E511 PolarHBondContact O-N 3.14Å; L508-E511 PolarHBondContact O-N 3.03Å; E511-M513 VanDerWaalsContact C-N 3.29Å; E511-M513 PolarHBondContact O-N 2.99Å; E511-V514 PolarHBondContact O-N 2.82Å; E511-D515 WeakPolarHBondContact O-CB 3.43Å; E511-D515 PolarHBondContact O-N 3.33Å |
| 512 | L | 87.3 | Confident | 84.9 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -30.5 | 178.1 | -144.5 | 162.8 | 0 | 0 | 0 | 112 | L508 E509 R516 | L508-L512 VanDerWaalsContact O-CB 3.23Å; L508-L512 WeakPolarHBondContact O-CB 3.4Å; L508-L512 PolarHBondContact O-N 3.1Å; E509-L512 PolarHBondContact O-N 3.35Å; L512-R516 HydrophobicContact CD2-CG 4.23Å; L512-R516 WeakPolarHBondContact O-CB 3.44Å; L512-R516 WeakPolarHBondContact O-CG 3.46Å; L512-R516 PolarHBondContact O-N 3.47Å |
| 513 | M | 89.6 | Confident | 84.8 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.7 | -46.3 | 172.7 | -169 | -171.3 | -173.8 | 0 | 0 | 111.3 | E509 N510 E511 D515 R516 E517 | E509-M513 WeakPolarHBondContact O-CB 3.34Å; E509-M513 PolarHBondContact O-N 3.45Å; N510-M513 WeakPolarHBondContact O-CB 3.45Å; N510-M513 PolarHBondContact O-N 3.46Å; E511-M513 VanDerWaalsContact C-N 3.29Å; E511-M513 PolarHBondContact O-N 2.99Å; M513-D515 VanDerWaalsContact C-N 3.32Å; M513-D515 PolarHBondContact O-N 3.06Å; M513-R516 WeakPolarHBondContact O-CB 3.44Å; M513-R516 PolarHBondContact O-N 3.47Å; M513-E517 PolarHBondContact O-N 3.07Å |
| 514 | V | 88.5 | Confident | 84.7 | Confident | 92 Ų | 92 | 104.6 Ų | 104.6 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -41.4 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | N510 E511 R516 E517 S518 | N510-V514 WeakPolarHBondContact O-CG2 3.36Å; N510-V514 PolarHBondContact O-N 3.08Å; E511-V514 PolarHBondContact O-N 2.82Å; V514-R516 VanDerWaalsContact C-N 3.32Å; V514-R516 PolarHBondContact O-N 2.97Å; V514-E517 PolarHBondContact O-N 3.09Å; V514-S518 PolarHBondContact O-N 2.95Å |
| 515 | D | 84.2 | Confident | 84.6 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -32.4 | 175.8 | -74.3 | -14 | 0 | 0 | 0 | 112.6 | E511 M513 S518 L519 | E511-D515 WeakPolarHBondContact O-CB 3.43Å; E511-D515 PolarHBondContact O-N 3.33Å; M513-D515 VanDerWaalsContact C-N 3.32Å; M513-D515 PolarHBondContact O-N 3.06Å; D515-S518 WeakPolarHBondContact CA-OG 3.5Å; D515-S518 PolarHBondContact O-OG 2.87Å; D515-L519 VanDerWaalsContact O-CB 3.25Å; D515-L519 WeakPolarHBondContact O-CB 3.26Å; D515-L519 PolarHBondContact O-N 3.32Å |
| 516 | R | 86.9 | Confident | 84.5 | Confident | 158 Ų | 158 | 102.5 Ų | 102.5 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.9 | -34.5 | 173.8 | -86.3 | 177.1 | 167.2 | 168.1 | -0.9 | 113.1 | L512 M513 V514 R520 | L512-R516 HydrophobicContact CD2-CG 4.23Å; L512-R516 WeakPolarHBondContact O-CB 3.44Å; L512-R516 WeakPolarHBondContact O-CG 3.46Å; L512-R516 PolarHBondContact O-N 3.47Å; M513-R516 WeakPolarHBondContact O-CB 3.44Å; M513-R516 PolarHBondContact O-N 3.47Å; V514-R516 VanDerWaalsContact C-N 3.32Å; V514-R516 PolarHBondContact O-N 2.97Å; R516-R520 PolarHBondContact O-N 3.04Å; R516-R520 VanDerWaalsContact O-N 3.16Å |
| 517 | E | 82.7 | Confident | 84.5 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.6 | -40.1 | 174.4 | -74.6 | -179.5 | 172.8 | 0 | 0 | 111 | M513 V514 R520 S521 | M513-E517 PolarHBondContact O-N 3.07Å; V514-E517 PolarHBondContact O-N 3.09Å; E517-R520 PolarHBondContact O-N 3.46Å; E517-S521 PolarHBondContact O-N 3.34Å |
| 518 | S | 83 | Confident | 84.4 | Confident | 59 Ų | 59 | 97.4 Ų | 97.4 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.4 | 77.2 | 0 | 0 | 0 | 0 | 111.5 | V514 D515 R520 S521 A522 | V514-S518 PolarHBondContact O-N 2.95Å; D515-S518 WeakPolarHBondContact CA-OG 3.5Å; D515-S518 PolarHBondContact O-OG 2.87Å; S518-R520 PolarHBondContact O-N 3.38Å; S518-S521 PolarHBondContact O-N 3.02Å; S518-S521 PolarHBondContact O-OG 3.4Å; S518-A522 WeakPolarHBondContact O-CB 3.43Å; S518-A522 PolarHBondContact O-N 2.65Å |
| 519 | L | 85.7 | Confident | 84.2 | Confident | 102 Ų | 102 | 96 Ų | 96 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.5 | -172.9 | 69.8 | 0 | 0 | 0 | 112 | D515 S521 A522 E523 | D515-L519 VanDerWaalsContact O-CB 3.25Å; D515-L519 WeakPolarHBondContact O-CB 3.26Å; D515-L519 PolarHBondContact O-N 3.32Å; L519-S521 VanDerWaalsContact C-N 3.32Å; L519-S521 PolarHBondContact O-N 2.95Å; L519-A522 WeakPolarHBondContact O-CB 3.39Å; L519-A522 PolarHBondContact O-N 3.46Å; L519-A522 VanDerWaalsContact O-N 3.16Å; L519-E523 WeakPolarHBondContact O-CG 3.31Å; L519-E523 PolarHBondContact O-N 3.15Å |
| 520 | R | 84.6 | Confident | 84.2 | Confident | 163 Ų | 163 | 95.9 Ų | 95.9 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -38.3 | 176.7 | -82.5 | -171.3 | -88.5 | -169.2 | -2.7 | 112.5 | R516 E517 S518 E523 S524 | R516-R520 PolarHBondContact O-N 3.04Å; R516-R520 VanDerWaalsContact O-N 3.16Å; E517-R520 PolarHBondContact O-N 3.46Å; S518-R520 PolarHBondContact O-N 3.38Å; R520-E523 PolarHBondContact O-N 3.39Å; R520-S524 PolarHBondContact O-N 3.33Å; R520-S524 VanDerWaalsContact O-N 3.08Å; R520-S524 PolarHBondContact O-OG 2.93Å |
| 521 | S | 83.8 | Confident | 84.1 | Confident | 68 Ų | 68 | 97.4 Ų | 97.4 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 174.2 | 75.2 | 0 | 0 | 0 | 0 | 112.2 | E517 S518 L519 S524 L525 | E517-S521 PolarHBondContact O-N 3.34Å; S518-S521 PolarHBondContact O-N 3.02Å; S518-S521 PolarHBondContact O-OG 3.4Å; L519-S521 VanDerWaalsContact C-N 3.32Å; L519-S521 PolarHBondContact O-N 2.95Å; S521-S524 PolarHBondContact O-N 2.87Å; S521-S524 PolarHBondContact O-OG 3.28Å; S521-L525 WeakPolarHBondContact O-CB 3.45Å; S521-L525 PolarHBondContact O-N 2.91Å |
| 522 | A | 80.3 | Confident | 83.9 | Confident | 52 Ų | 52 | 95.2 Ų | 95.2 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S518 L519 L525 S526 | S518-A522 WeakPolarHBondContact O-CB 3.43Å; S518-A522 PolarHBondContact O-N 2.65Å; L519-A522 WeakPolarHBondContact O-CB 3.39Å; L519-A522 PolarHBondContact O-N 3.46Å; L519-A522 VanDerWaalsContact O-N 3.16Å; A522-L525 PolarHBondContact O-N 3.26Å; A522-S526 WeakPolarHBondContact O-CB 3.44Å; A522-S526 PolarHBondContact O-N 3.15Å |
| 523 | E | 81.8 | Confident | 83.5 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 173.6 | -75.5 | 175.5 | 170.4 | 0 | 0 | 111.4 | L519 R520 L525 S526 T527 | L519-E523 WeakPolarHBondContact O-CG 3.31Å; L519-E523 PolarHBondContact O-N 3.15Å; R520-E523 PolarHBondContact O-N 3.39Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 2.91Å; E523-S526 WeakPolarHBondContact O-CB 3.34Å; E523-S526 PolarHBondContact O-N 3.41Å; E523-T527 WeakPolarHBondContact O-CG2 3.42Å; E523-T527 PolarHBondContact O-N 3.31Å |
| 524 | S | 81.6 | Confident | 83 | Confident | 61 Ų | 61 | 93.2 Ų | 93.2 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 175.1 | 55.4 | 0 | 0 | 0 | 0 | 112 | R520 S521 S526 T527 D528 | R520-S524 PolarHBondContact O-N 3.33Å; R520-S524 VanDerWaalsContact O-N 3.08Å; R520-S524 PolarHBondContact O-OG 2.93Å; S521-S524 PolarHBondContact O-N 2.87Å; S521-S524 PolarHBondContact O-OG 3.28Å; S524-S526 VanDerWaalsContact C-N 3.32Å; S524-S526 PolarHBondContact O-N 2.87Å; S524-T527 PolarHBondContact O-N 3.41Å; S524-T527 PolarHBondContact O-OG1 3.17Å; S524-D528 PolarHBondContact O-N 3Å |
| 525 | L | 84.7 | Confident | 82.6 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -38.3 | 178.1 | -172.5 | 65.4 | 0 | 0 | 0 | 111.6 | S521 A522 E523 T527 D528 L529 | S521-L525 WeakPolarHBondContact O-CB 3.45Å; S521-L525 PolarHBondContact O-N 2.91Å; A522-L525 PolarHBondContact O-N 3.26Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 2.91Å; L525-T527 VanDerWaalsContact C-N 3.34Å; L525-T527 PolarHBondContact O-N 3.46Å; L525-D528 PolarHBondContact O-N 3.41Å; L525-L529 HydrophobicContact CG-CD1 4.11Å; L525-L529 WeakPolarHBondContact O-CB 3.2Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.42Å; L525-L529 PolarHBondContact O-N 3.41Å |
| 526 | S | 81.4 | Confident | 82.2 | Confident | 66 Ų | 66 | 92.8 Ų | 92.8 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | A522 E523 S524 D528 L529 M530 | A522-S526 WeakPolarHBondContact O-CB 3.44Å; A522-S526 PolarHBondContact O-N 3.15Å; E523-S526 WeakPolarHBondContact O-CB 3.34Å; E523-S526 PolarHBondContact O-N 3.41Å; S524-S526 VanDerWaalsContact C-N 3.32Å; S524-S526 PolarHBondContact O-N 2.87Å; S526-D528 VanDerWaalsContact C-N 3.33Å; S526-D528 PolarHBondContact O-N 3.08Å; S526-L529 PolarHBondContact O-N 3.31Å; S526-M530 WeakPolarHBondContact O-CG 3.3Å; S526-M530 PolarHBondContact O-N 3.02Å |
| 527 | T | 83.8 | Confident | 81.9 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | E523 S524 L525 K531 | E523-T527 WeakPolarHBondContact O-CG2 3.42Å; E523-T527 PolarHBondContact O-N 3.31Å; S524-T527 PolarHBondContact O-N 3.41Å; S524-T527 PolarHBondContact O-OG1 3.17Å; L525-T527 VanDerWaalsContact C-N 3.34Å; L525-T527 PolarHBondContact O-N 3.46Å; T527-K531 PolarHBondContact O-N 3.5Å |
| 528 | D | 83.6 | Confident | 81.8 | Confident | 85 Ų | 85 | 92.8 Ų | 92.8 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.3 | -38 | 177.5 | -69.6 | -26.5 | 0 | 0 | 0 | 111.7 | S524 L525 S526 M530 K531 E532 | S524-D528 PolarHBondContact O-N 3Å; L525-D528 PolarHBondContact O-N 3.41Å; S526-D528 VanDerWaalsContact C-N 3.33Å; S526-D528 PolarHBondContact O-N 3.08Å; D528-M530 VanDerWaalsContact C-N 3.25Å; D528-M530 PolarHBondContact O-N 2.89Å; D528-K531 PolarHBondContact O-N 3.43Å; D528-K531 VanDerWaalsContact O-N 3.12Å; D528-K531 IonicContact OD1-NZ 3.97Å; D528-K531 PolarHBondContact OD1-NZ 3.01Å; D528-E532 PolarHBondContact O-N 2.99Å |
| 529 | L | 81.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 93 Ų | 93 | 29% | 0.293 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -31.3 | 171.6 | -73.9 | 171.2 | 0 | 0 | 0 | 112.8 | L525 S526 K533 | L525-L529 HydrophobicContact CG-CD1 4.11Å; L525-L529 WeakPolarHBondContact O-CB 3.2Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.42Å; L525-L529 PolarHBondContact O-N 3.41Å; S526-L529 PolarHBondContact O-N 3.31Å; L529-K533 VanDerWaalsContact O-CB 3.32Å; L529-K533 WeakPolarHBondContact O-CB 3.41Å; L529-K533 PolarHBondContact O-N 3.26Å |
| 530 | M | 81.8 | Confident | 81 | Confident | 126 Ų | 126 | 93 Ų | 93 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.5 | -38.1 | 173.9 | -81.5 | -78.6 | -81.4 | 0 | 0 | 112.3 | S526 D528 A534 | S526-M530 WeakPolarHBondContact O-CG 3.3Å; S526-M530 PolarHBondContact O-N 3.02Å; D528-M530 VanDerWaalsContact C-N 3.25Å; D528-M530 PolarHBondContact O-N 2.89Å; M530-A534 PolarHBondContact O-N 2.81Å |
| 531 | K | 83.4 | Confident | 80.9 | Confident | 131 Ų | 131 | 90 Ų | 90 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.7 | -39.6 | 175.5 | -65.9 | 169.4 | -165.1 | 151.8 | 0 | 111.4 | T527 D528 A534 L535 | T527-K531 PolarHBondContact O-N 3.5Å; D528-K531 PolarHBondContact O-N 3.43Å; D528-K531 VanDerWaalsContact O-N 3.12Å; D528-K531 IonicContact OD1-NZ 3.97Å; D528-K531 PolarHBondContact OD1-NZ 3.01Å; K531-A534 PolarHBondContact O-N 3.04Å; K531-L535 PolarHBondContact O-N 3.27Å |
| 532 | E | 80.8 | Confident | 80.6 | Confident | 69 Ų | 69 | 90.5 Ų | 90.5 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 177.4 | -168.3 | 168.1 | -150.6 | 0 | 0 | 111.8 | L336 D528 A534 L535 L536 | L336-E532 VanDerWaalsContact CD1-OE1 3.32Å; L336-E532 WeakPolarHBondContact CD1-OE1 3.5Å; D528-E532 PolarHBondContact O-N 2.99Å; E532-A534 VanDerWaalsContact C-N 3.34Å; E532-A534 PolarHBondContact O-N 3.19Å; E532-L535 WeakPolarHBondContact O-CB 3.43Å; E532-L535 PolarHBondContact O-N 2.59Å; E532-L535 VanDerWaalsContact O-N 3.12Å; E532-L536 HydrophobicContact CG-CD1 4.14Å; E532-L536 WeakPolarHBondContact O-CG 3.11Å; E532-L536 PolarHBondContact O-N 3.47Å |
| 533 | K | 80.2 | Confident | 80.3 | Confident | 105 Ų | 105 | 93.1 Ų | 93.1 | 46% | 0.457 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.9 | -46.8 | 172.1 | -179.7 | -179 | 172 | -179.4 | 0 | 112.1 | L529 L535 L536 E537 | L529-K533 VanDerWaalsContact O-CB 3.32Å; L529-K533 WeakPolarHBondContact O-CB 3.41Å; L529-K533 PolarHBondContact O-N 3.26Å; K533-L535 VanDerWaalsContact C-N 3.27Å; K533-L535 PolarHBondContact O-N 3.12Å; K533-L536 PolarHBondContact O-N 3.26Å; K533-E537 WeakPolarHBondContact CE-OE1 3.25Å; K533-E537 IonicContact NZ-OE1 2.75Å; K533-E537 WeakPolarHBondContact O-CG 3.5Å; K533-E537 PolarHBondContact O-N 3.35Å |
| 534 | A | 79.1 | Confident | 80.4 | Confident | 61 Ų | 61 | 95.7 Ų | 95.7 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M530 K531 E532 | M530-A534 PolarHBondContact O-N 2.81Å; K531-A534 PolarHBondContact O-N 3.04Å; E532-A534 VanDerWaalsContact C-N 3.34Å; E532-A534 PolarHBondContact O-N 3.19Å |
| 535 | L | 79.9 | Confident | 80.2 | Confident | 122 Ų | 122 | 97.5 Ų | 97.5 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.5 | -42 | 175.5 | -106 | 145.1 | 0 | 0 | 0 | 112 | K531 E532 K533 K538 T539 | K531-L535 PolarHBondContact O-N 3.27Å; E532-L535 WeakPolarHBondContact O-CB 3.43Å; E532-L535 PolarHBondContact O-N 2.59Å; E532-L535 VanDerWaalsContact O-N 3.12Å; K533-L535 VanDerWaalsContact C-N 3.27Å; K533-L535 PolarHBondContact O-N 3.12Å; L535-K538 WeakPolarHBondContact O-CB 3.4Å; L535-K538 PolarHBondContact O-N 2.87Å; L535-T539 PolarHBondContact O-N 2.66Å |
| 536 | L | 75.4 | Confident | 79.7 | Confident | 62 Ų | 62 | 96.9 Ų | 96.9 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 178.9 | -73.2 | 169.8 | 0 | 0 | 0 | 112.4 | E532 K533 K538 T539 L540 | E532-L536 HydrophobicContact CG-CD1 4.14Å; E532-L536 WeakPolarHBondContact O-CG 3.11Å; E532-L536 PolarHBondContact O-N 3.47Å; K533-L536 PolarHBondContact O-N 3.26Å; L536-K538 VanDerWaalsContact C-N 3.25Å; L536-K538 PolarHBondContact O-N 3.5Å; L536-T539 WeakPolarHBondContact CA-OG1 3.41Å; L536-T539 PolarHBondContact O-N 3.21Å; L536-T539 PolarHBondContact O-OG1 3.19Å; L536-L540 PolarHBondContact O-N 2.99Å |
| 537 | E | 80 | Confident | 79.4 | Confident | 107 Ų | 107 | 96.7 Ų | 96.7 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.9 | -41.4 | 173.4 | -78.8 | 173.9 | 176.7 | 0 | 0 | 111.6 | K533 T539 L540 E541 | K533-E537 WeakPolarHBondContact CE-OE1 3.25Å; K533-E537 IonicContact NZ-OE1 2.75Å; K533-E537 WeakPolarHBondContact O-CG 3.5Å; K533-E537 PolarHBondContact O-N 3.35Å; E537-T539 VanDerWaalsContact C-N 3.32Å; E537-T539 PolarHBondContact O-N 3.24Å; E537-L540 PolarHBondContact O-N 3.33Å; E537-E541 PolarHBondContact O-N 3.09Å |
| 538 | K | 80.9 | Confident | 79.3 | Confident | 161 Ų | 161 | 98.2 Ų | 98.2 | 70% | 0.7 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -33.9 | 176.1 | -168.5 | 175.9 | -179.8 | 178.2 | 0 | 112.6 | L535 L536 | L535-K538 WeakPolarHBondContact O-CB 3.4Å; L535-K538 PolarHBondContact O-N 2.87Å; L536-K538 VanDerWaalsContact C-N 3.25Å; L536-K538 PolarHBondContact O-N 3.5Å |
| 539 | T | 77.3 | Confident | 79.1 | Confident | 65 Ų | 65 | 100.9 Ų | 100.9 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.2 | -36.7 | 178 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | L535 L536 E537 E541 T542 L543 | L535-T539 PolarHBondContact O-N 2.66Å; L536-T539 WeakPolarHBondContact CA-OG1 3.41Å; L536-T539 PolarHBondContact O-N 3.21Å; L536-T539 PolarHBondContact O-OG1 3.19Å; E537-T539 VanDerWaalsContact C-N 3.32Å; E537-T539 PolarHBondContact O-N 3.24Å; T539-E541 VanDerWaalsContact C-N 3.31Å; T539-E541 PolarHBondContact O-N 2.96Å; T539-T542 PolarHBondContact O-N 3.41Å; T539-T542 PolarHBondContact O-OG1 3.2Å; T539-L543 PolarHBondContact O-N 2.64Å |
| 540 | L | 75.5 | Confident | 78.8 | Confident | 100 Ų | 100 | 105 Ų | 105 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 177.3 | -79.5 | 172.3 | 0 | 0 | 0 | 112.4 | L536 E537 T542 L543 R544 | L536-L540 PolarHBondContact O-N 2.99Å; E537-L540 PolarHBondContact O-N 3.33Å; L540-T542 VanDerWaalsContact C-N 3.33Å; L540-T542 PolarHBondContact O-N 2.91Å; L540-L543 PolarHBondContact O-N 3.3Å; L540-R544 PolarHBondContact O-N 3.38Å |
| 541 | E | 81.4 | Confident | 78.5 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.3 | -163.7 | 59.6 | -157.4 | 0 | 0 | 111.3 | E537 T539 L543 R544 E545 | E537-E541 PolarHBondContact O-N 3.09Å; T539-E541 VanDerWaalsContact C-N 3.31Å; T539-E541 PolarHBondContact O-N 2.96Å; E541-L543 VanDerWaalsContact C-N 3.32Å; E541-L543 PolarHBondContact O-N 3.45Å; E541-R544 PolarHBondContact O-N 3.32Å; E541-R544 IonicContact OE2-NH1 3.82Å; E541-E545 PolarHBondContact O-N 2.79Å |
| 542 | T | 77.5 | Confident | 78.4 | Confident | 78 Ų | 78 | 101.7 Ų | 101.7 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -32.5 | 177.8 | 65 | 0 | 0 | 0 | 0 | 113.6 | T539 L540 N546 | T539-T542 PolarHBondContact O-N 3.41Å; T539-T542 PolarHBondContact O-OG1 3.2Å; L540-T542 VanDerWaalsContact C-N 3.33Å; L540-T542 PolarHBondContact O-N 2.91Å; T542-N546 PolarHBondContact O-N 3.29Å |
| 543 | L | 74.4 | Confident | 78 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -75.3 | -36.3 | 177.8 | -75.2 | 170.6 | 0 | 0 | 0 | 112.3 | T539 L540 E541 E545 N546 S547 | T539-L543 PolarHBondContact O-N 2.64Å; L540-L543 PolarHBondContact O-N 3.3Å; E541-L543 VanDerWaalsContact C-N 3.32Å; E541-L543 PolarHBondContact O-N 3.45Å; L543-E545 PolarHBondContact O-N 3.13Å; L543-N546 WeakPolarHBondContact O-CB 3.44Å; L543-N546 PolarHBondContact O-N 3.45Å; L543-S547 PolarHBondContact O-N 2.78Å |
| 544 | R | 84 | Confident | 77.8 | Confident | 162 Ų | 162 | 100 Ų | 100 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.4 | -48.2 | 173.6 | -81.7 | -178.3 | 177.4 | 153.1 | -0.7 | 111.3 | L540 E541 N546 S547 E548 | L540-R544 PolarHBondContact O-N 3.38Å; E541-R544 PolarHBondContact O-N 3.32Å; E541-R544 IonicContact OE2-NH1 3.82Å; R544-N546 VanDerWaalsContact C-N 3.26Å; R544-N546 PolarHBondContact O-N 2.87Å; R544-S547 PolarHBondContact O-N 3.11Å; R544-S547 VanDerWaalsContact O-N 3.13Å; R544-S547 PolarHBondContact O-OG 3.28Å; R544-E548 PolarHBondContact O-N 3.1Å |
| 545 | E | 77.9 | Confident | 77.8 | Confident | 100 Ų | 100 | 103.4 Ų | 103.4 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -35.7 | 177.6 | -66.5 | -178.2 | 175 | 0 | 0 | 113 | E541 L543 R549 | E541-E545 PolarHBondContact O-N 2.79Å; L543-E545 PolarHBondContact O-N 3.13Å; E545-R549 WeakPolarHBondContact O-CG 3.41Å; E545-R549 IonicContact OE2-NH2 3.72Å |
| 546 | N | 74.4 | Confident | 77.5 | Confident | 93 Ų | 93 | 104.6 Ų | 104.6 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 174.9 | -98.2 | -8.5 | 0 | 0 | 0 | 112.2 | T542 L543 R544 E548 R549 Q550 | T542-N546 PolarHBondContact O-N 3.29Å; L543-N546 WeakPolarHBondContact O-CB 3.44Å; L543-N546 PolarHBondContact O-N 3.45Å; R544-N546 VanDerWaalsContact C-N 3.26Å; R544-N546 PolarHBondContact O-N 2.87Å; N546-E548 VanDerWaalsContact C-N 3.34Å; N546-E548 PolarHBondContact O-N 2.6Å; N546-R549 PolarHBondContact O-N 3.27Å; N546-R549 PolarHBondContact OD1-NH1 2.72Å; N546-Q550 PolarHBondContact O-N 3.21Å |
| 547 | S | 74.9 | Confident | 77.5 | Confident | 62 Ų | 62 | 107.5 Ų | 107.5 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | -179.2 | 73 | 0 | 0 | 0 | 0 | 112.5 | L543 R544 R549 Q550 T551 | L543-S547 PolarHBondContact O-N 2.78Å; R544-S547 PolarHBondContact O-N 3.11Å; R544-S547 VanDerWaalsContact O-N 3.13Å; R544-S547 PolarHBondContact O-OG 3.28Å; S547-R549 VanDerWaalsContact C-N 3.3Å; S547-R549 PolarHBondContact O-N 2.72Å; S547-Q550 PolarHBondContact O-N 3.05Å; S547-Q550 VanDerWaalsContact O-N 3.13Å; S547-T551 PolarHBondContact O-N 3.44Å; S547-T551 VanDerWaalsContact O-N 3.1Å; S547-T551 PolarHBondContact O-OG1 2.92Å |
| 548 | E | 81.6 | Confident | 77.3 | Confident | 110 Ų | 110 | 107.6 Ų | 107.6 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 179.8 | -157 | -164.3 | 142.3 | 0 | 0 | 112 | R544 N546 K552 | R544-E548 PolarHBondContact O-N 3.1Å; N546-E548 VanDerWaalsContact C-N 3.34Å; N546-E548 PolarHBondContact O-N 2.6Å; E548-K552 PolarHBondContact O-N 2.63Å; E548-K552 IonicContact OE1-NZ 2.83Å; E548-K552 PolarHBondContact OE1-NZ 2.98Å |
| 549 | R | 79.3 | Confident | 77.2 | Confident | 141 Ų | 141 | 107 Ų | 107 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 173.5 | -68.9 | -175.7 | -134.7 | 114.3 | 4.6 | 112.1 | E545 N546 S547 G553 | E545-R549 WeakPolarHBondContact O-CG 3.41Å; E545-R549 IonicContact OE2-NH2 3.72Å; N546-R549 PolarHBondContact O-N 3.27Å; N546-R549 PolarHBondContact OD1-NH1 2.72Å; S547-R549 VanDerWaalsContact C-N 3.3Å; S547-R549 PolarHBondContact O-N 2.72Å; R549-G553 PolarHBondContact O-N 2.98Å |
| 550 | Q | 74.8 | Confident | 77.1 | Confident | 141 Ų | 141 | 110 Ų | 110 | 66% | 0.659 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.9 | -40.9 | 179.6 | -166.2 | 173.8 | -1.4 | 0 | 0 | 112.4 | N546 S547 K552 G553 L554 | N546-Q550 PolarHBondContact O-N 3.21Å; S547-Q550 PolarHBondContact O-N 3.05Å; S547-Q550 VanDerWaalsContact O-N 3.13Å; Q550-K552 VanDerWaalsContact C-N 3.33Å; Q550-K552 PolarHBondContact O-N 2.84Å; Q550-G553 PolarHBondContact O-N 3.08Å; Q550-G553 VanDerWaalsContact O-N 3.11Å; Q550-L554 PolarHBondContact O-N 3.04Å |
| 551 | T | 76.3 | Confident | 77 | Confident | 80 Ų | 80 | 110.1 Ų | 110.1 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 176.8 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | S547 G553 L554 E555 | S547-T551 PolarHBondContact O-N 3.44Å; S547-T551 VanDerWaalsContact O-N 3.1Å; S547-T551 PolarHBondContact O-OG1 2.92Å; T551-G553 PolarHBondContact O-N 2.83Å; T551-L554 PolarHBondContact O-N 3.4Å; T551-E555 PolarHBondContact O-N 3.13Å; T551-E555 VanDerWaalsContact O-N 3.1Å |
| 552 | K | 80.1 | Confident | 76.7 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 47% | 0.474 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -30.6 | 175.5 | -75 | 174.8 | -174.5 | 159.9 | 0 | 113 | E548 Q550 Q556 | E548-K552 PolarHBondContact O-N 2.63Å; E548-K552 IonicContact OE1-NZ 2.83Å; E548-K552 PolarHBondContact OE1-NZ 2.98Å; Q550-K552 VanDerWaalsContact C-N 3.33Å; Q550-K552 PolarHBondContact O-N 2.84Å; K552-Q556 WeakPolarHBondContact O-CG 3.27Å |
| 553 | G | 73.6 | Confident | 76.5 | Confident | 39 Ų | 39 | 110.7 Ų | 110.7 | 40% | 0.402 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R549 Q550 T551 E555 Q556 E557 | R549-G553 PolarHBondContact O-N 2.98Å; Q550-G553 PolarHBondContact O-N 3.08Å; Q550-G553 VanDerWaalsContact O-N 3.11Å; T551-G553 PolarHBondContact O-N 2.83Å; G553-E555 PolarHBondContact O-N 3.36Å; G553-Q556 PolarHBondContact O-N 2.88Å; G553-E557 PolarHBondContact O-N 3.42Å |
| 554 | L | 75.6 | Confident | 76.3 | Confident | 100 Ų | 100 | 109 Ų | 109 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | -178.8 | -69.2 | 171.1 | 0 | 0 | 0 | 113 | Q550 T551 Q556 E557 N558 | Q550-L554 PolarHBondContact O-N 3.04Å; T551-L554 PolarHBondContact O-N 3.4Å; L554-Q556 VanDerWaalsContact C-N 3.29Å; L554-Q556 PolarHBondContact O-N 3.2Å; L554-E557 PolarHBondContact O-N 2.96Å; L554-N558 PolarHBondContact O-N 3.05Å; L554-N558 VanDerWaalsContact O-N 3.12Å |
| 555 | E | 77.9 | Confident | 75.7 | Confident | 132 Ų | 132 | 105.6 Ų | 105.6 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -35.9 | 175 | -79.5 | -175.3 | 155.3 | 0 | 0 | 112.9 | T551 G553 K559 | T551-E555 PolarHBondContact O-N 3.13Å; T551-E555 VanDerWaalsContact O-N 3.1Å; G553-E555 PolarHBondContact O-N 3.36Å; E555-K559 PolarHBondContact O-N 3.13Å |
| 556 | Q | 75.4 | Confident | 75.4 | Confident | 146 Ų | 146 | 104.4 Ų | 104.4 | 68% | 0.682 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.3 | -38.4 | 178.2 | -68 | 177.1 | 9.1 | 0 | 0 | 111.7 | K552 G553 L554 K559 H560 | K552-Q556 WeakPolarHBondContact O-CG 3.27Å; G553-Q556 PolarHBondContact O-N 2.88Å; L554-Q556 VanDerWaalsContact C-N 3.29Å; L554-Q556 PolarHBondContact O-N 3.2Å; Q556-K559 PolarHBondContact O-N 3.38Å; Q556-H560 PolarHBondContact O-N 3.06Å |
| 557 | E | 74.3 | Confident | 75.1 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.9 | -41.3 | 179.5 | -163.8 | 173.3 | -170.5 | 0 | 0 | 112 | G553 L554 K559 H560 L561 | G553-E557 PolarHBondContact O-N 3.42Å; L554-E557 PolarHBondContact O-N 2.96Å; E557-K559 VanDerWaalsContact C-N 3.28Å; E557-K559 PolarHBondContact O-N 2.84Å; E557-H560 WeakPolarHBondContact O-CB 3.41Å; E557-H560 PolarHBondContact O-N 3.08Å; E557-H560 VanDerWaalsContact O-N 3.08Å; E557-L561 PolarHBondContact O-N 3.24Å; E557-L561 VanDerWaalsContact O-N 3.17Å |
| 558 | N | 75.9 | Confident | 74.5 | Confident | 109 Ų | 109 | 103.8 Ų | 103.8 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -35.4 | 177 | -120.2 | -28.7 | 0 | 0 | 0 | 112.7 | L554 H560 S562 | L554-N558 PolarHBondContact O-N 3.05Å; L554-N558 VanDerWaalsContact O-N 3.12Å; N558-H560 VanDerWaalsContact C-N 3.28Å; N558-H560 PolarHBondContact O-N 3.26Å; N558-S562 PolarHBondContact O-N 2.94Å; N558-S562 PolarHBondContact O-OG 3.23Å |
| 559 | K | 80 | Confident | 73.8 | Confident | 150 Ų | 150 | 108.2 Ų | 108.2 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.6 | -35 | 175.5 | -159.6 | 174 | -174.9 | 176 | 0 | 111.6 | E555 Q556 E557 | E555-K559 PolarHBondContact O-N 3.13Å; Q556-K559 PolarHBondContact O-N 3.38Å; E557-K559 VanDerWaalsContact C-N 3.28Å; E557-K559 PolarHBondContact O-N 2.84Å |
| 560 | H | 74.3 | Confident | 72.8 | Confident | 127 Ų | 127 | 109.5 Ų | 109.5 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.9 | -43.3 | 179.4 | -162.6 | 14.5 | 0 | 0 | 0 | 112.2 | Q556 E557 N558 S562 Q563 T564 | Q556-H560 PolarHBondContact O-N 3.06Å; E557-H560 WeakPolarHBondContact O-CB 3.41Å; E557-H560 PolarHBondContact O-N 3.08Å; E557-H560 VanDerWaalsContact O-N 3.08Å; N558-H560 VanDerWaalsContact C-N 3.28Å; N558-H560 PolarHBondContact O-N 3.26Å; H560-S562 VanDerWaalsContact C-N 3.34Å; H560-S562 PolarHBondContact O-N 3.21Å; H560-Q563 PolarHBondContact O-N 3.27Å; H560-T564 PolarHBondContact O-N 2.96Å; H560-T564 PolarHBondContact O-OG1 3.48Å |
| 561 | L | 73.9 | Confident | 71.8 | Confident | 102 Ų | 102 | 110.7 Ų | 110.7 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -37.7 | 178.4 | -69.7 | 170.4 | 0 | 0 | 0 | 112.7 | E557 Q563 T564 I565 | E557-L561 PolarHBondContact O-N 3.24Å; E557-L561 VanDerWaalsContact O-N 3.17Å; L561-Q563 VanDerWaalsContact C-N 3.29Å; L561-Q563 PolarHBondContact O-N 2.97Å; L561-T564 WeakPolarHBondContact O-CB 3.49Å; L561-T564 PolarHBondContact O-N 3.37Å; L561-I565 PolarHBondContact O-N 3.46Å |
| 562 | S | 74.4 | Confident | 70.8 | Confident | 74 Ų | 74 | 112.9 Ų | 112.9 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.2 | -34.9 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 113 | N558 H560 S566 | N558-S562 PolarHBondContact O-N 2.94Å; N558-S562 PolarHBondContact O-OG 3.23Å; H560-S562 VanDerWaalsContact C-N 3.34Å; H560-S562 PolarHBondContact O-N 3.21Å; S562-S566 PolarHBondContact O-N 2.97Å |
| 563 | Q | 72.9 | Confident | 69.6 | Low | 119 Ų | 119 | 116 Ų | 116 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -36.8 | 176.9 | -69.2 | 173.5 | -14.4 | 0 | 0 | 112 | H560 L561 I565 S566 | H560-Q563 PolarHBondContact O-N 3.27Å; L561-Q563 VanDerWaalsContact C-N 3.29Å; L561-Q563 PolarHBondContact O-N 2.97Å; Q563-I565 PolarHBondContact O-N 3.04Å; Q563-S566 PolarHBondContact O-N 3.24Å; Q563-S566 PolarHBondContact O-OG 3.36Å |
| 564 | T | 70.1 | Confident | 68.2 | Low | 70 Ų | 70 | 120.9 Ų | 120.9 | 43% | 0.429 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.1 | -39.6 | 178.1 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | H560 L561 S566 S567 L568 | H560-T564 PolarHBondContact O-N 2.96Å; H560-T564 PolarHBondContact O-OG1 3.48Å; L561-T564 WeakPolarHBondContact O-CB 3.49Å; L561-T564 PolarHBondContact O-N 3.37Å; T564-S566 VanDerWaalsContact C-N 3.35Å; T564-S566 PolarHBondContact O-N 2.85Å; T564-S567 PolarHBondContact O-N 3.31Å; T564-S567 PolarHBondContact O-OG 3.07Å; T564-L568 PolarHBondContact O-N 3.47Å |
| 565 | I | 72.3 | Confident | 67.1 | Low | 90 Ų | 90 | 118.5 Ų | 118.5 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.5 | -35.5 | -179.9 | -66.3 | 171.1 | 0 | 0 | 0 | 111.9 | L561 Q563 S567 L568 R569 | L561-I565 PolarHBondContact O-N 3.46Å; Q563-I565 PolarHBondContact O-N 3.04Å; I565-S567 VanDerWaalsContact C-N 3.34Å; I565-S567 PolarHBondContact O-N 3.48Å; I565-L568 PolarHBondContact O-N 2.92Å; I565-R569 PolarHBondContact O-N 3.48Å |
| 566 | S | 71.5 | Confident | 66 | Low | 76 Ų | 76 | 115 Ų | 115 | 53% | 0.531 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.2 | -39.3 | 179.8 | 79.7 | 0 | 0 | 0 | 0 | 112 | S562 Q563 T564 L568 R569 | S562-S566 PolarHBondContact O-N 2.97Å; Q563-S566 PolarHBondContact O-N 3.24Å; Q563-S566 PolarHBondContact O-OG 3.36Å; T564-S566 VanDerWaalsContact C-N 3.35Å; T564-S566 PolarHBondContact O-N 2.85Å; S566-L568 VanDerWaalsContact C-N 3.28Å; S566-L568 PolarHBondContact O-N 2.96Å; S566-R569 PolarHBondContact O-N 3.32Å |
| 567 | S | 67.8 | Low | 65 | Low | 52 Ų | 52 | 116.8 Ų | 116.8 | 36% | 0.364 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.6 | -21.4 | 177.8 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | T564 I565 R571 | T564-S567 PolarHBondContact O-N 3.31Å; T564-S567 PolarHBondContact O-OG 3.07Å; I565-S567 VanDerWaalsContact C-N 3.34Å; I565-S567 PolarHBondContact O-N 3.48Å; S567-R571 PolarHBondContact O-NE 3.35Å; S567-R571 PolarHBondContact O-NH2 2.91Å |
| 568 | L | 62.6 | Low | 64.1 | Low | 90 Ų | 90 | 112.2 Ų | 112.2 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -77.9 | -37 | 174 | -81.7 | 159.8 | 0 | 0 | 0 | 111.8 | T564 I565 S566 Q570 R571 | T564-L568 PolarHBondContact O-N 3.47Å; I565-L568 PolarHBondContact O-N 2.92Å; S566-L568 VanDerWaalsContact C-N 3.28Å; S566-L568 PolarHBondContact O-N 2.96Å; L568-Q570 VanDerWaalsContact C-N 3.31Å; L568-Q570 PolarHBondContact O-N 2.95Å; L568-R571 VanDerWaalsContact CD2-CZ 3.41Å; L568-R571 PolarHBondContact O-N 3.33Å |
| 569 | R | 66.1 | Low | 63 | Low | 202 Ų | 202 | 115 Ų | 115 | 76% | 0.762 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.2 | -30.2 | -179.3 | -70.2 | -177.6 | 179.7 | -172.5 | 0.3 | 113.4 | I565 S566 R571 | I565-R569 PolarHBondContact O-N 3.48Å; S566-R569 PolarHBondContact O-N 3.32Å; R569-R571 PolarHBondContact O-N 3.25Å |
| 570 | Q | 59.1 | Low | 61.9 | Low | 169 Ų | 169 | 113 Ų | 113 | 79% | 0.79 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -14.5 | -179.8 | -155.6 | 172.8 | 5.7 | 0 | 0 | 113.5 | L568 | L568-Q570 VanDerWaalsContact C-N 3.31Å; L568-Q570 PolarHBondContact O-N 2.95Å |
| 571 | R | 52.7 | Low | 61.2 | Low | 165 Ų | 165 | 113.5 Ų | 113.5 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -11 | -175.9 | -90.4 | 176.3 | -87.6 | 175.2 | -11 | 115.6 | S567 L568 R569 Q573 | S567-R571 PolarHBondContact O-NE 3.35Å; S567-R571 PolarHBondContact O-NH2 2.91Å; L568-R571 VanDerWaalsContact CD2-CZ 3.41Å; L568-R571 PolarHBondContact O-N 3.33Å; R569-R571 PolarHBondContact O-N 3.25Å; R571-Q573 VanDerWaalsContact C-N 3.29Å; R571-Q573 PolarHBondContact O-N 3.44Å |
| 572 | C | 56.1 | Low | 60.4 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 85% | 0.851 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -83.5 | 16.3 | -174.3 | -86.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 573 | Q | 55.1 | Low | 59.9 | Low | 174 Ų | 174 | 112 Ų | 112 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -131.9 | 113.4 | -174.7 | -137.9 | 143.1 | 13 | 0 | 0 | 113 | R571 | R571-Q573 VanDerWaalsContact C-N 3.29Å; R571-Q573 PolarHBondContact O-N 3.44Å |
| 574 | V | 44.9 | Very low | 59.5 | Low | 143 Ų | 143 | 111.6 Ų | 111.6 | 87% | 0.867 | 58% | 0.584 | S | S | * | * | trans | 98.4 | 143.1 | 158.9 | -162.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 575 | G | 51.6 | Low | 59.2 | Low | 50 Ų | 50 | 113.5 Ų | 113.5 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | trans | -123.8 | -156.4 | -159 | 0 | 0 | 0 | 0 | 0 | 120.4 | E577 | G575-E577 PolarHBondContact O-N 3.36Š| ||
| 576 | A | 54.3 | Low | 58.7 | Low | 58 Ų | 58 | 115 Ų | 115 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | S | Bend | trans | 57.8 | -55.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | A578 R579 | A576-A578 PolarHBondContact O-N 2.97Å; A576-R579 PolarHBondContact O-N 3.2Å; A576-R579 VanDerWaalsContact O-N 3.15Å |
| 577 | E | 55.3 | Low | 58.5 | Low | 183 Ų | 183 | 115.8 Ų | 115.8 | 86% | 0.855 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -21.4 | 161.1 | -85.8 | 179.3 | 162.1 | 0 | 0 | 110.7 | G575 R579 K581 | G575-E577 PolarHBondContact O-N 3.36Å; E577-R579 VanDerWaalsContact C-N 3.26Å; E577-R579 PolarHBondContact O-N 3.43Å; E577-K581 PolarHBondContact O-N 3.3Å |
| 578 | A | 54.5 | Low | 58.9 | Low | 27 Ų | 27 | 120.7 Ų | 120.7 | 22% | 0.223 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -51.2 | -41.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A576 V580 K581 D582 | A576-A578 PolarHBondContact O-N 2.97Å; A578-V580 PolarHBondContact O-N 3.22Å; A578-K581 CarbonylContact O-C 3.58Å; A578-K581 WeakPolarHBondContact O-CA 3.36Å; A578-K581 PolarHBondContact O-N 2.98Å; A578-D582 VanDerWaalsContact C-CG 3.46Å; A578-D582 WeakPolarHBondContact O-CA 3.46Å; A578-D582 WeakPolarHBondContact O-CB 3.3Å; A578-D582 PolarHBondContact O-N 3.18Å |
| 579 | R | 52.9 | Low | 59.4 | Low | 168 Ų | 168 | 120.2 Ų | 120.2 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.7 | -31.6 | -169.6 | -73.1 | -174.3 | -65.5 | -113.4 | -0.9 | 115.5 | A576 E577 D582 V583 | A576-R579 PolarHBondContact O-N 3.2Å; A576-R579 VanDerWaalsContact O-N 3.15Å; E577-R579 VanDerWaalsContact C-N 3.26Å; E577-R579 PolarHBondContact O-N 3.43Å; R579-D582 PolarHBondContact O-N 3.41Å; R579-V583 WeakPolarHBondContact O-CG2 3.05Å; R579-V583 PolarHBondContact O-N 3.34Å |
| 580 | V | 57.7 | Low | 59.7 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 66% | 0.655 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.8 | -37.1 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | A578 D582 V583 E584 | A578-V580 PolarHBondContact O-N 3.22Å; V580-D582 PolarHBondContact O-N 3.48Å; V580-V583 PolarHBondContact O-N 2.98Å; V580-E584 PolarHBondContact O-N 2.91Å |
| 581 | K | 59.3 | Low | 60.5 | Low | 137 Ų | 137 | 113.1 Ų | 113.1 | 60% | 0.596 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.9 | -24.5 | 166.9 | -121.9 | 179.1 | -173.9 | 173.6 | 0 | 112.4 | E577 A578 K585 | E577-K581 PolarHBondContact O-N 3.3Å; A578-K581 CarbonylContact O-C 3.58Å; A578-K581 WeakPolarHBondContact O-CA 3.36Å; A578-K581 PolarHBondContact O-N 2.98Å; K581-K585 WeakPolarHBondContact O-CA 3.47Å; K581-K585 WeakPolarHBondContact O-CB 3.27Å; K581-K585 WeakPolarHBondContact O-CG 3.41Å; K581-K585 PolarHBondContact O-N 2.79Å |
| 582 | D | 57.1 | Low | 61.6 | Low | 66 Ų | 66 | 110.6 Ų | 110.6 | 35% | 0.353 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -80.6 | -30.7 | 178.7 | -67.7 | -27 | 0 | 0 | 0 | 110.1 | A578 R579 V580 K585 E586 | A578-D582 VanDerWaalsContact C-CG 3.46Å; A578-D582 WeakPolarHBondContact O-CA 3.46Å; A578-D582 WeakPolarHBondContact O-CB 3.3Å; A578-D582 PolarHBondContact O-N 3.18Å; R579-D582 PolarHBondContact O-N 3.41Å; V580-D582 PolarHBondContact O-N 3.48Å; D582-K585 CarbonylContact O-C 3.6Å; D582-E586 WeakPolarHBondContact O-CA 3.3Å; D582-E586 WeakPolarHBondContact O-CB 3.3Å; D582-E586 WeakPolarHBondContact O-CG 3.35Å; D582-E586 PolarHBondContact O-N 3.42Å |
| 583 | V | 64.1 | Low | 62.5 | Low | 80 Ų | 80 | 107 Ų | 107 | 49% | 0.485 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.6 | -39 | 169.2 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | R579 V580 K585 E586 N587 | R579-V583 WeakPolarHBondContact O-CG2 3.05Å; R579-V583 PolarHBondContact O-N 3.34Å; V580-V583 PolarHBondContact O-N 2.98Å; V583-K585 VanDerWaalsContact C-N 3.34Å; V583-E586 PolarHBondContact O-N 3.28Å; V583-N587 WeakPolarHBondContact O-CB 3.46Å; V583-N587 PolarHBondContact O-N 3.45Å |
| 584 | E | 63.9 | Low | 63.5 | Low | 109 Ų | 109 | 103.1 Ų | 103.1 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 170.3 | -74.8 | -173.9 | 164.2 | 0 | 0 | 112.3 | V580 R588 | V580-E584 PolarHBondContact O-N 2.91Å; E584-R588 WeakPolarHBondContact O-CB 3.49Å; E584-R588 PolarHBondContact O-N 2.88Å |
| 585 | K | 63.9 | Low | 65.1 | Low | 110 Ų | 110 | 100.5 Ų | 100.5 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.7 | -33.7 | 169.2 | -82.6 | 172.9 | 177.5 | 176 | 0 | 111.5 | K581 D582 V583 R588 V589 | K581-K585 WeakPolarHBondContact O-CA 3.47Å; K581-K585 WeakPolarHBondContact O-CB 3.27Å; K581-K585 WeakPolarHBondContact O-CG 3.41Å; K581-K585 PolarHBondContact O-N 2.79Å; D582-K585 CarbonylContact O-C 3.6Å; V583-K585 VanDerWaalsContact C-N 3.34Å; K585-R588 CarbonylContact O-C 3.59Å; K585-R588 PolarHBondContact O-N 2.81Å; K585-V589 WeakPolarHBondContact O-CA 3.37Å; K585-V589 WeakPolarHBondContact O-CB 3.4Å; K585-V589 WeakPolarHBondContact O-CG2 3.35Å; K585-V589 PolarHBondContact O-N 2.62Å |
| 586 | E | 63 | Low | 66.3 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.8 | -38.9 | 175.7 | -90.5 | 178.7 | 168.5 | 0 | 0 | 109.4 | D582 V583 V589 L590 | D582-E586 WeakPolarHBondContact O-CA 3.3Å; D582-E586 WeakPolarHBondContact O-CB 3.3Å; D582-E586 WeakPolarHBondContact O-CG 3.35Å; D582-E586 PolarHBondContact O-N 3.42Å; V583-E586 PolarHBondContact O-N 3.28Å; E586-V589 CarbonylContact O-C 3.54Å; E586-V589 PolarHBondContact O-N 2.98Å; E586-L590 WeakPolarHBondContact O-CA 3.32Å; E586-L590 WeakPolarHBondContact O-CB 3.25Å; E586-L590 WeakPolarHBondContact O-CG 3.34Å; E586-L590 PolarHBondContact O-N 3.43Å |
| 587 | N | 65.8 | Low | 67.2 | Low | 93 Ų | 93 | 104.2 Ų | 104.2 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 168.9 | -89.3 | -38.4 | 0 | 0 | 0 | 112.1 | V583 H591 | V583-N587 WeakPolarHBondContact O-CB 3.46Å; V583-N587 PolarHBondContact O-N 3.45Å; N587-H591 VanDerWaalsContact O-CB 3.31Å; N587-H591 WeakPolarHBondContact O-CB 3.32Å; N587-H591 PolarHBondContact O-CD2 3.02Å; N587-H591 PolarHBondContact O-N 3.38Å |
| 588 | R | 76.6 | Confident | 68.3 | Low | 156 Ų | 156 | 98.5 Ų | 98.5 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.6 | -36.9 | 171.3 | -111.9 | -178.2 | -90.5 | -154.4 | -7.7 | 112.8 | E584 K585 H591 E592 | E584-R588 WeakPolarHBondContact O-CB 3.49Å; E584-R588 PolarHBondContact O-N 2.88Å; K585-R588 CarbonylContact O-C 3.59Å; K585-R588 PolarHBondContact O-N 2.81Å; R588-H591 CarbonylContact O-C 3.34Å; R588-H591 PolarHBondContact O-N 3.25Å; R588-E592 VanDerWaalsContact O-CB 3.24Å; R588-E592 WeakPolarHBondContact O-CB 3.28Å; R588-E592 WeakPolarHBondContact O-CG 3.27Å; R588-E592 PolarHBondContact O-N 3.01Å |
| 589 | V | 72.6 | Confident | 69.6 | Low | 80 Ų | 80 | 99 Ų | 99 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76.8 | -31.1 | 178 | 166.7 | 0 | 0 | 0 | 0 | 110 | K585 E586 S593 | K585-V589 WeakPolarHBondContact O-CA 3.37Å; K585-V589 WeakPolarHBondContact O-CB 3.4Å; K585-V589 WeakPolarHBondContact O-CG2 3.35Å; K585-V589 PolarHBondContact O-N 2.62Å; E586-V589 CarbonylContact O-C 3.54Å; E586-V589 PolarHBondContact O-N 2.98Å; V589-S593 WeakPolarHBondContact O-CA 3.49Å; V589-S593 WeakPolarHBondContact O-CB 3.33Å; V589-S593 PolarHBondContact O-N 2.84Å |
| 590 | L | 72.9 | Confident | 71 | Confident | 96 Ų | 96 | 96.8 Ų | 96.8 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.1 | -39.2 | 169.5 | -78.3 | 167.8 | 0 | 0 | 0 | 110 | E586 S593 I594 | E586-L590 WeakPolarHBondContact O-CA 3.32Å; E586-L590 WeakPolarHBondContact O-CB 3.25Å; E586-L590 WeakPolarHBondContact O-CG 3.34Å; E586-L590 PolarHBondContact O-N 3.43Å; L590-S593 PolarHBondContact O-N 3.2Å; L590-I594 WeakPolarHBondContact O-CB 3.24Å; L590-I594 WeakPolarHBondContact O-CD1 3.38Å; L590-I594 WeakPolarHBondContact O-CG1 3.36Å; L590-I594 PolarHBondContact O-N 2.86Å |
| 591 | H | 75.7 | Confident | 72 | Confident | 125 Ų | 125 | 96.1 Ų | 96.1 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 169.9 | -92 | -61.6 | 0 | 0 | 0 | 112.1 | N587 R588 I594 C595 | N587-H591 VanDerWaalsContact O-CB 3.31Å; N587-H591 WeakPolarHBondContact O-CB 3.32Å; N587-H591 PolarHBondContact O-CD2 3.02Å; N587-H591 PolarHBondContact O-N 3.38Å; R588-H591 CarbonylContact O-C 3.34Å; R588-H591 PolarHBondContact O-N 3.25Å; H591-I594 PolarHBondContact O-N 3.09Å; H591-C595 VanDerWaalsContact O-CB 3.24Å; H591-C595 WeakPolarHBondContact O-CB 3.44Å; H591-C595 PolarHBondContact O-N 3.27Å; H591-C595 PolarHBondContact O-SG 3.36Å |
| 592 | E | 76 | Confident | 73.2 | Confident | 112 Ų | 112 | 93.8 Ų | 93.8 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 173.8 | -78.5 | 167.5 | -174.9 | 0 | 0 | 110.6 | R588 C595 E596 | R588-E592 VanDerWaalsContact O-CB 3.24Å; R588-E592 WeakPolarHBondContact O-CB 3.28Å; R588-E592 WeakPolarHBondContact O-CG 3.27Å; R588-E592 PolarHBondContact O-N 3.01Å; E592-C595 CarbonylContact O-C 3.5Å; E592-C595 PolarHBondContact O-N 3.45Å; E592-E596 VanDerWaalsContact O-CB 3.25Å; E592-E596 WeakPolarHBondContact O-CB 3.23Å; E592-E596 VanDerWaalsContact O-CG 3.29Å; E592-E596 WeakPolarHBondContact O-CG 3.46Å; E592-E596 PolarHBondContact O-N 2.99Å |
| 593 | S | 75.1 | Confident | 74.6 | Confident | 51 Ų | 51 | 97 Ų | 97 | 36% | 0.357 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.9 | -36.9 | 174.6 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | V589 L590 E596 T597 | V589-S593 WeakPolarHBondContact O-CA 3.49Å; V589-S593 WeakPolarHBondContact O-CB 3.33Å; V589-S593 PolarHBondContact O-N 2.84Å; L590-S593 PolarHBondContact O-N 3.2Å; S593-E596 PolarHBondContact O-N 2.86Å; S593-T597 VanDerWaalsContact O-CB 3.24Å; S593-T597 WeakPolarHBondContact O-CB 3.29Å; S593-T597 WeakPolarHBondContact O-CG2 3.16Å; S593-T597 PolarHBondContact O-N 3.34Å; S593-T597 PolarHBondContact O-OG1 3.08Å |
| 594 | I | 77.1 | Confident | 75.4 | Confident | 93 Ų | 93 | 98.1 Ų | 98.1 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 170.4 | -72.5 | 165.2 | 0 | 0 | 0 | 109.5 | L590 H591 T597 T598 | L590-I594 WeakPolarHBondContact O-CB 3.24Å; L590-I594 WeakPolarHBondContact O-CD1 3.38Å; L590-I594 WeakPolarHBondContact O-CG1 3.36Å; L590-I594 PolarHBondContact O-N 2.86Å; H591-I594 PolarHBondContact O-N 3.09Å; I594-T597 VanDerWaalsContact CA-OG1 3.29Å; I594-T597 WeakPolarHBondContact CA-OG1 3.43Å; I594-T597 PolarHBondContact O-OG1 3.23Å; I594-T597 VanDerWaalsContact O-OG1 3.12Å; I594-T598 WeakPolarHBondContact O-CA 3.33Å; I594-T598 WeakPolarHBondContact O-CB 3.33Å; I594-T598 PolarHBondContact O-N 3.31Å; I594-T598 PolarHBondContact O-OG1 3.43Å |
| 595 | C | 78 | Confident | 76.1 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.6 | -36.5 | 174.3 | -75.7 | 0 | 0 | 0 | 0 | 112.2 | H591 E592 G599 | H591-C595 VanDerWaalsContact O-CB 3.24Å; H591-C595 WeakPolarHBondContact O-CB 3.44Å; H591-C595 PolarHBondContact O-N 3.27Å; H591-C595 PolarHBondContact O-SG 3.36Å; E592-C595 CarbonylContact O-C 3.5Å; E592-C595 PolarHBondContact O-N 3.45Å; C595-G599 WeakPolarHBondContact O-CA 3.41Å; C595-G599 PolarHBondContact O-N 3.42Å |
| 596 | E | 76.3 | Confident | 77.2 | Confident | 115 Ų | 115 | 97.3 Ų | 97.3 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.5 | -40 | 175.9 | -82.7 | -174.1 | -168.2 | 0 | 0 | 111.4 | E592 S593 G599 K600 | E592-E596 VanDerWaalsContact O-CB 3.25Å; E592-E596 WeakPolarHBondContact O-CB 3.23Å; E592-E596 VanDerWaalsContact O-CG 3.29Å; E592-E596 WeakPolarHBondContact O-CG 3.46Å; E592-E596 PolarHBondContact O-N 2.99Å; S593-E596 PolarHBondContact O-N 2.86Å; E596-G599 CarbonylContact O-C 3.55Å; E596-G599 PolarHBondContact O-N 2.94Å; E596-K600 VanDerWaalsContact O-CB 3.3Å; E596-K600 WeakPolarHBondContact O-CB 3.46Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 3.41Å; E596-K600 IonicContact OE2-NZ 3.53Å |
| 597 | T | 72.7 | Confident | 78.4 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.2 | -35.6 | 175.1 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | S593 I594 K600 L601 | S593-T597 VanDerWaalsContact O-CB 3.24Å; S593-T597 WeakPolarHBondContact O-CB 3.29Å; S593-T597 WeakPolarHBondContact O-CG2 3.16Å; S593-T597 PolarHBondContact O-N 3.34Å; S593-T597 PolarHBondContact O-OG1 3.08Å; I594-T597 VanDerWaalsContact CA-OG1 3.29Å; I594-T597 WeakPolarHBondContact CA-OG1 3.43Å; I594-T597 PolarHBondContact O-OG1 3.23Å; I594-T597 VanDerWaalsContact O-OG1 3.12Å; T597-K600 PolarHBondContact O-N 3.41Å; T597-L601 WeakPolarHBondContact O-CB 3.48Å; T597-L601 PolarHBondContact O-N 3.48Å |
| 598 | T | 79.8 | Confident | 79 | Confident | 63 Ų | 63 | 96.9 Ų | 96.9 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 168.9 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I594 L601 N602 | I594-T598 WeakPolarHBondContact O-CA 3.33Å; I594-T598 WeakPolarHBondContact O-CB 3.33Å; I594-T598 PolarHBondContact O-N 3.31Å; I594-T598 PolarHBondContact O-OG1 3.43Å; T598-L601 PolarHBondContact O-N 3.15Å; T598-N602 VanDerWaalsContact O-CB 3.25Å; T598-N602 WeakPolarHBondContact O-CB 3.24Å; T598-N602 PolarHBondContact O-N 3.31Å; T598-N602 PolarHBondContact O-ND2 2.86Å |
| 599 | G | 81.4 | Confident | 79.6 | Confident | 37 Ų | 37 | 95.2 Ų | 95.2 | 38% | 0.381 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C595 E596 N602 K603 | C595-G599 WeakPolarHBondContact O-CA 3.41Å; C595-G599 PolarHBondContact O-N 3.42Å; E596-G599 CarbonylContact O-C 3.55Å; E596-G599 PolarHBondContact O-N 2.94Å; G599-N602 PolarHBondContact O-N 3.41Å; G599-K603 VanDerWaalsContact O-CB 3.29Å; G599-K603 WeakPolarHBondContact O-CB 3.07Å; G599-K603 PolarHBondContact O-N 3.33Å |
| 600 | K | 82.9 | Confident | 80.2 | Confident | 123 Ų | 123 | 95.6 Ų | 95.6 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 172.3 | -74.6 | 167.2 | -174.7 | 165.9 | 0 | 111.1 | E596 T597 K603 L604 | E596-K600 VanDerWaalsContact O-CB 3.3Å; E596-K600 WeakPolarHBondContact O-CB 3.46Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 3.41Å; E596-K600 IonicContact OE2-NZ 3.53Å; T597-K600 PolarHBondContact O-N 3.41Å; K600-K603 PolarHBondContact O-N 2.74Å; K600-L604 WeakPolarHBondContact O-CB 3.33Å; K600-L604 VanDerWaalsContact O-CG 3.29Å; K600-L604 WeakPolarHBondContact O-CG 3.41Å; K600-L604 PolarHBondContact O-N 3.49Å |
| 601 | L | 78.2 | Confident | 80.8 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 174.5 | -177.9 | 66.5 | 0 | 0 | 0 | 110.6 | T597 T598 K603 L604 E605 | T597-L601 WeakPolarHBondContact O-CB 3.48Å; T597-L601 PolarHBondContact O-N 3.48Å; T598-L601 PolarHBondContact O-N 3.15Å; L601-K603 VanDerWaalsContact C-N 3.29Å; L601-K603 PolarHBondContact O-N 2.97Å; L601-L604 CarbonylContact O-C 3.56Å; L601-L604 PolarHBondContact O-N 3.36Å; L601-E605 WeakPolarHBondContact O-CB 3.16Å; L601-E605 WeakPolarHBondContact O-CG 3.26Å; L601-E605 PolarHBondContact O-N 2.95Å |
| 602 | N | 83.2 | Confident | 81.2 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 174.8 | -73 | -20.9 | 0 | 0 | 0 | 111.5 | T598 G599 E605 F606 | T598-N602 VanDerWaalsContact O-CB 3.25Å; T598-N602 WeakPolarHBondContact O-CB 3.24Å; T598-N602 PolarHBondContact O-N 3.31Å; T598-N602 PolarHBondContact O-ND2 2.86Å; G599-N602 PolarHBondContact O-N 3.41Å; N602-E605 PolarHBondContact O-N 2.63Å; N602-F606 VanDerWaalsContact O-CB 3.24Å; N602-F606 WeakPolarHBondContact O-CB 3.08Å; N602-F606 PolarHBondContact O-N 2.78Å |
| 603 | K | 86.5 | Confident | 81.9 | Confident | 133 Ų | 133 | 98.4 Ų | 98.4 | 58% | 0.578 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -45.2 | 174 | -169.4 | 179.7 | 178.1 | -175 | 0 | 111.4 | G599 K600 L601 E605 F606 E607 | G599-K603 VanDerWaalsContact O-CB 3.29Å; G599-K603 WeakPolarHBondContact O-CB 3.07Å; G599-K603 PolarHBondContact O-N 3.33Å; K600-K603 PolarHBondContact O-N 2.74Å; L601-K603 VanDerWaalsContact C-N 3.29Å; L601-K603 PolarHBondContact O-N 2.97Å; K603-E605 VanDerWaalsContact C-N 3.34Å; K603-E605 PolarHBondContact O-N 3.36Å; K603-F606 CarbonylContact O-C 3.49Å; K603-F606 WeakPolarHBondContact O-CB 3.39Å; K603-F606 PolarHBondContact O-N 2.94Å; K603-E607 VanDerWaalsContact CE-OE1 3.27Å; K603-E607 WeakPolarHBondContact CE-OE1 3.44Å; K603-E607 WeakPolarHBondContact O-CB 3.35Å; K603-E607 VanDerWaalsContact O-CG 3.31Å; K603-E607 WeakPolarHBondContact O-CG 3.45Å; K603-E607 PolarHBondContact O-N 3.32Å |
| 604 | L | 81.4 | Confident | 82.4 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -34.6 | 174.8 | -73.8 | 171.2 | 0 | 0 | 0 | 112.1 | K600 L601 R608 | K600-L604 WeakPolarHBondContact O-CB 3.33Å; K600-L604 VanDerWaalsContact O-CG 3.29Å; K600-L604 WeakPolarHBondContact O-CG 3.41Å; K600-L604 PolarHBondContact O-N 3.49Å; L601-L604 CarbonylContact O-C 3.56Å; L601-L604 PolarHBondContact O-N 3.36Å; L604-R608 WeakPolarHBondContact O-CB 3.39Å; L604-R608 PolarHBondContact O-N 3.11Å |
| 605 | E | 79.9 | Confident | 82.7 | Confident | 76 Ų | 76 | 100.9 Ų | 100.9 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 173.2 | -78.8 | -168.8 | 173.6 | 0 | 0 | 111.8 | L601 N602 K603 R608 K609 | L601-E605 WeakPolarHBondContact O-CB 3.16Å; L601-E605 WeakPolarHBondContact O-CG 3.26Å; L601-E605 PolarHBondContact O-N 2.95Å; N602-E605 PolarHBondContact O-N 2.63Å; K603-E605 VanDerWaalsContact C-N 3.34Å; K603-E605 PolarHBondContact O-N 3.36Å; E605-R608 PolarHBondContact O-N 3.25Å; E605-K609 WeakPolarHBondContact O-CB 3.43Å; E605-K609 VanDerWaalsContact O-CG 3.31Å; E605-K609 WeakPolarHBondContact O-CG 3.37Å; E605-K609 PolarHBondContact O-N 3.42Å |
| 606 | F | 86.7 | Confident | 83.2 | Confident | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.553 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -47.8 | 172.2 | -177.1 | -94.2 | 0 | 0 | 0 | 110.8 | N602 K603 R608 K609 Q610 | N602-F606 VanDerWaalsContact O-CB 3.24Å; N602-F606 WeakPolarHBondContact O-CB 3.08Å; N602-F606 PolarHBondContact O-N 2.78Å; K603-F606 CarbonylContact O-C 3.49Å; K603-F606 WeakPolarHBondContact O-CB 3.39Å; K603-F606 PolarHBondContact O-N 2.94Å; F606-R608 VanDerWaalsContact C-N 3.32Å; F606-R608 PolarHBondContact O-N 3.39Å; F606-K609 CarbonylContact O-C 3.56Å; F606-K609 WeakPolarHBondContact O-CB 3.4Å; F606-K609 PolarHBondContact O-N 3.23Å; F606-K609 VanDerWaalsContact O-N 3.11Å; F606-Q610 WeakPolarHBondContact O-CB 3.44Å; F606-Q610 PolarHBondContact O-N 3.29Å |
| 607 | E | 87.1 | Confident | 83.9 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 173 | -73.7 | 169.8 | -168.7 | 0 | 0 | 111.1 | K603 K609 Q610 L611 | K603-E607 VanDerWaalsContact CE-OE1 3.27Å; K603-E607 WeakPolarHBondContact CE-OE1 3.44Å; K603-E607 WeakPolarHBondContact O-CB 3.35Å; K603-E607 VanDerWaalsContact O-CG 3.31Å; K603-E607 WeakPolarHBondContact O-CG 3.45Å; K603-E607 PolarHBondContact O-N 3.32Å; E607-K609 PolarHBondContact O-N 3.29Å; E607-Q610 WeakPolarHBondContact O-CB 3.28Å; E607-Q610 PolarHBondContact O-N 3.1Å; E607-L611 WeakPolarHBondContact O-CB 3.4Å; E607-L611 VanDerWaalsContact O-CG 3.3Å; E607-L611 WeakPolarHBondContact O-CG 3.48Å; E607-L611 PolarHBondContact O-N 2.94Å |
| 608 | R | 79.8 | Confident | 84.5 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 173.9 | -167.4 | -174.3 | 77.5 | 173.8 | -0.7 | 112 | L604 E605 F606 R612 | L604-R608 WeakPolarHBondContact O-CB 3.39Å; L604-R608 PolarHBondContact O-N 3.11Å; E605-R608 PolarHBondContact O-N 3.25Å; F606-R608 VanDerWaalsContact C-N 3.32Å; F606-R608 PolarHBondContact O-N 3.39Å; R608-R612 WeakPolarHBondContact O-CB 3.32Å; R608-R612 VanDerWaalsContact O-CG 3.25Å; R608-R612 WeakPolarHBondContact O-CG 3.49Å; R608-R612 PolarHBondContact O-N 2.86Å |
| 609 | K | 87.6 | Confident | 84.9 | Confident | 121 Ų | 121 | 105.8 Ų | 105.8 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 173.6 | -78.5 | 175 | -178.2 | 173.7 | 0 | 111.1 | E605 F606 E607 R612 K613 | E605-K609 WeakPolarHBondContact O-CB 3.43Å; E605-K609 VanDerWaalsContact O-CG 3.31Å; E605-K609 WeakPolarHBondContact O-CG 3.37Å; E605-K609 PolarHBondContact O-N 3.42Å; F606-K609 CarbonylContact O-C 3.56Å; F606-K609 WeakPolarHBondContact O-CB 3.4Å; F606-K609 PolarHBondContact O-N 3.23Å; F606-K609 VanDerWaalsContact O-N 3.11Å; E607-K609 PolarHBondContact O-N 3.29Å; K609-R612 PolarHBondContact O-N 3.23Å; K609-K613 WeakPolarHBondContact O-CG 3.35Å; K609-K613 PolarHBondContact O-N 2.93Å |
| 610 | Q | 85.3 | Confident | 85.3 | Confident | 88 Ų | 88 | 108.2 Ų | 108.2 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -50.1 | 176.2 | -166.9 | 114.9 | -2.4 | 0 | 0 | 110.8 | F606 E607 R612 K613 E614 | F606-Q610 WeakPolarHBondContact O-CB 3.44Å; F606-Q610 PolarHBondContact O-N 3.29Å; E607-Q610 WeakPolarHBondContact O-CB 3.28Å; E607-Q610 PolarHBondContact O-N 3.1Å; Q610-R612 VanDerWaalsContact C-N 3.29Å; Q610-R612 PolarHBondContact O-N 3.27Å; Q610-K613 CarbonylContact O-C 3.57Å; Q610-K613 WeakPolarHBondContact O-CB 3.31Å; Q610-K613 PolarHBondContact O-N 3.45Å; Q610-K613 VanDerWaalsContact O-N 3.09Å; Q610-E614 WeakPolarHBondContact O-CG 3.44Å; Q610-E614 PolarHBondContact O-N 3.45Å |
| 611 | L | 85.4 | Confident | 85.4 | Confident | 111 Ų | 111 | 107.5 Ų | 107.5 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62 | -34.7 | 176 | -72.8 | 169.9 | 0 | 0 | 0 | 112.5 | E607 E614 L615 | E607-L611 WeakPolarHBondContact O-CB 3.4Å; E607-L611 VanDerWaalsContact O-CG 3.3Å; E607-L611 WeakPolarHBondContact O-CG 3.48Å; E607-L611 PolarHBondContact O-N 2.94Å; L611-E614 PolarHBondContact O-N 3.37Å; L611-L615 VanDerWaalsContact O-CB 3.27Å; L611-L615 WeakPolarHBondContact O-CB 3.42Å; L611-L615 PolarHBondContact O-N 3.04Å |
| 612 | R | 85.4 | Confident | 85.8 | Confident | 132 Ų | 132 | 104.5 Ų | 104.5 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 172.1 | -79.4 | 176.2 | -175.9 | 177.6 | -0.8 | 112.1 | R608 K609 Q610 E614 L615 E616 | R608-R612 WeakPolarHBondContact O-CB 3.32Å; R608-R612 VanDerWaalsContact O-CG 3.25Å; R608-R612 WeakPolarHBondContact O-CG 3.49Å; R608-R612 PolarHBondContact O-N 2.86Å; K609-R612 PolarHBondContact O-N 3.23Å; Q610-R612 VanDerWaalsContact C-N 3.29Å; Q610-R612 PolarHBondContact O-N 3.27Å; R612-E614 VanDerWaalsContact C-N 3.34Å; R612-L615 PolarHBondContact O-N 3.35Å; R612-E616 PolarHBondContact O-N 3.2Å |
| 613 | K | 89.1 | Confident | 86 | Confident | 149 Ų | 149 | 105.9 Ų | 105.9 | 65% | 0.648 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -39.7 | 174.1 | -73.3 | 177.9 | 176.9 | -172.7 | 0 | 111.8 | K609 Q610 E616 L617 | K609-K613 WeakPolarHBondContact O-CG 3.35Å; K609-K613 PolarHBondContact O-N 2.93Å; Q610-K613 CarbonylContact O-C 3.57Å; Q610-K613 WeakPolarHBondContact O-CB 3.31Å; Q610-K613 PolarHBondContact O-N 3.45Å; Q610-K613 VanDerWaalsContact O-N 3.09Å; K613-E616 PolarHBondContact O-N 3.13Å; K613-L617 VanDerWaalsContact O-CB 3.3Å; K613-L617 WeakPolarHBondContact O-CB 3.33Å; K613-L617 PolarHBondContact O-N 3.35Å |
| 614 | E | 85.7 | Confident | 86.1 | Confident | 94 Ų | 94 | 105.7 Ų | 105.7 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 174.8 | -73.7 | 171.4 | -166.4 | 0 | 0 | 111.2 | Q610 L611 R612 L617 M618 | Q610-E614 WeakPolarHBondContact O-CG 3.44Å; Q610-E614 PolarHBondContact O-N 3.45Å; L611-E614 PolarHBondContact O-N 3.37Å; R612-E614 VanDerWaalsContact C-N 3.34Å; E614-L617 PolarHBondContact O-N 3.24Å; E614-M618 WeakPolarHBondContact O-CB 3.4Å; E614-M618 VanDerWaalsContact O-CG 3.24Å; E614-M618 WeakPolarHBondContact O-CG 3.4Å; E614-M618 PolarHBondContact O-N 3.41Å |
| 615 | L | 84.4 | Confident | 86.1 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 175.7 | -173 | 140.8 | 0 | 0 | 0 | 112.4 | L611 R612 M618 K619 | L611-L615 VanDerWaalsContact O-CB 3.27Å; L611-L615 WeakPolarHBondContact O-CB 3.42Å; L611-L615 PolarHBondContact O-N 3.04Å; R612-L615 PolarHBondContact O-N 3.35Å; L615-M618 PolarHBondContact O-N 2.79Å; L615-K619 HydrophobicContact CD2-CD 4.12Å; L615-K619 WeakPolarHBondContact O-CG 3.45Å; L615-K619 PolarHBondContact O-N 3.15Å |
| 616 | E | 88.1 | Confident | 86.4 | Confident | 118 Ų | 118 | 105.7 Ų | 105.7 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 171 | -79.2 | 167.7 | -174.7 | 0 | 0 | 111.2 | R612 K613 M618 K619 E620 | R612-E616 PolarHBondContact O-N 3.2Å; K613-E616 PolarHBondContact O-N 3.13Å; E616-M618 VanDerWaalsContact C-N 3.31Å; E616-M618 PolarHBondContact O-N 3.25Å; E616-K619 WeakPolarHBondContact O-CB 3.29Å; E616-K619 PolarHBondContact O-N 3.39Å; E616-K619 VanDerWaalsContact O-N 3.15Å; E616-E620 PolarHBondContact O-N 3.05Å |
| 617 | L | 90.7 | Very high | 86.5 | Confident | 76 Ų | 76 | 106 Ų | 106 | 40% | 0.398 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175 | -178.1 | 67.1 | 0 | 0 | 0 | 112.1 | K613 E614 K621 | K613-L617 VanDerWaalsContact O-CB 3.3Å; K613-L617 WeakPolarHBondContact O-CB 3.33Å; K613-L617 PolarHBondContact O-N 3.35Å; E614-L617 PolarHBondContact O-N 3.24Å; L617-K621 WeakPolarHBondContact O-CB 3.44Å; L617-K621 VanDerWaalsContact O-CG 3.25Å; L617-K621 WeakPolarHBondContact O-CG 3.34Å; L617-K621 PolarHBondContact O-N 2.92Å |
| 618 | M | 85.7 | Confident | 86.4 | Confident | 118 Ų | 118 | 107.3 Ų | 107.3 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.7 | -33.4 | 176.1 | -70.5 | -56.8 | -67.8 | 0 | 0 | 112.1 | E614 L615 E616 K621 G622 | E614-M618 WeakPolarHBondContact O-CB 3.4Å; E614-M618 VanDerWaalsContact O-CG 3.24Å; E614-M618 WeakPolarHBondContact O-CG 3.4Å; E614-M618 PolarHBondContact O-N 3.41Å; L615-M618 PolarHBondContact O-N 2.79Å; E616-M618 VanDerWaalsContact C-N 3.31Å; E616-M618 PolarHBondContact O-N 3.25Å; M618-K621 PolarHBondContact O-N 3.06Å; M618-K621 HydrophobicContact SD-CD 3.98Å; M618-G622 PolarHBondContact O-N 3Å |
| 619 | K | 87.8 | Confident | 86.6 | Confident | 128 Ų | 128 | 107 Ų | 107 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -48.4 | 170.5 | -77.8 | 179.8 | 174 | -176 | 0 | 111.8 | L615 E616 K621 G622 E623 | L615-K619 HydrophobicContact CD2-CD 4.12Å; L615-K619 WeakPolarHBondContact O-CG 3.45Å; L615-K619 PolarHBondContact O-N 3.15Å; E616-K619 WeakPolarHBondContact O-CB 3.29Å; E616-K619 PolarHBondContact O-N 3.39Å; E616-K619 VanDerWaalsContact O-N 3.15Å; K619-K621 VanDerWaalsContact C-N 3.25Å; K619-K621 PolarHBondContact O-N 3.23Å; K619-G622 CarbonylContact O-C 3.58Å; K619-G622 WeakPolarHBondContact O-CA 3.26Å; K619-G622 PolarHBondContact O-N 3.33Å; K619-E623 WeakPolarHBondContact O-CG 3.36Å; K619-E623 PolarHBondContact O-N 3.19Å |
| 620 | E | 90 | Very high | 86.8 | Confident | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -38.7 | 174.7 | -74.1 | -176.6 | -165.7 | 0 | 0 | 111.7 | E616 G622 R624 | E616-E620 PolarHBondContact O-N 3.05Å; E620-G622 VanDerWaalsContact C-N 3.35Å; E620-R624 VanDerWaalsContact O-CB 3.3Å; E620-R624 WeakPolarHBondContact O-CB 3.48Å; E620-R624 WeakPolarHBondContact O-CG 3.39Å; E620-R624 PolarHBondContact O-N 3.19Å; E620-R624 IonicContact OE2-CZ 3.63Å; E620-R624 IonicContact OE2-NH2 3.49Å; E620-R624 PolarHBondContact OE2-NH2 3.44Å |
| 621 | K | 85.5 | Confident | 87.1 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 174.3 | -77.1 | 175.4 | 179.5 | -178.2 | 0 | 112.2 | L617 M618 K619 A625 | L617-K621 WeakPolarHBondContact O-CB 3.44Å; L617-K621 VanDerWaalsContact O-CG 3.25Å; L617-K621 WeakPolarHBondContact O-CG 3.34Å; L617-K621 PolarHBondContact O-N 2.92Å; M618-K621 PolarHBondContact O-N 3.06Å; M618-K621 HydrophobicContact SD-CD 3.98Å; K619-K621 VanDerWaalsContact C-N 3.25Å; K619-K621 PolarHBondContact O-N 3.23Å; K621-A625 WeakPolarHBondContact O-CB 3.49Å; K621-A625 PolarHBondContact O-N 3.37Å |
| 622 | G | 85.7 | Confident | 87.1 | Confident | 31 Ų | 31 | 110.5 Ų | 110.5 | 32% | 0.32 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -50 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M618 K619 E620 R624 A625 E626 | M618-G622 PolarHBondContact O-N 3Å; K619-G622 CarbonylContact O-C 3.58Å; K619-G622 WeakPolarHBondContact O-CA 3.26Å; K619-G622 PolarHBondContact O-N 3.33Å; E620-G622 VanDerWaalsContact C-N 3.35Å; G622-R624 VanDerWaalsContact C-N 3.34Å; G622-R624 PolarHBondContact O-N 3.03Å; G622-A625 WeakPolarHBondContact O-CA 3.28Å; G622-A625 WeakPolarHBondContact O-CB 3.27Å; G622-A625 PolarHBondContact O-N 3.25Å; G622-E626 PolarHBondContact O-N 2.93Å |
| 623 | E | 88.5 | Confident | 87.2 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 175.6 | -69.8 | 170.6 | -176.8 | 0 | 0 | 111.2 | K619 A625 E626 E627 | K619-E623 WeakPolarHBondContact O-CG 3.36Å; K619-E623 PolarHBondContact O-N 3.19Å; E623-A625 VanDerWaalsContact C-N 3.32Å; E623-A625 PolarHBondContact O-N 2.87Å; E623-E626 PolarHBondContact O-N 3Å; E623-E627 WeakPolarHBondContact O-CB 3.39Å; E623-E627 WeakPolarHBondContact O-CG 3.37Å; E623-E627 PolarHBondContact O-N 3.33Å |
| 624 | R | 88.1 | Confident | 87.2 | Confident | 129 Ų | 129 | 107.1 Ų | 107.1 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 173 | -75.1 | 177.6 | -165.3 | 143.8 | 17.9 | 112.7 | E620 G622 L628 | E620-R624 VanDerWaalsContact O-CB 3.3Å; E620-R624 WeakPolarHBondContact O-CB 3.48Å; E620-R624 WeakPolarHBondContact O-CG 3.39Å; E620-R624 PolarHBondContact O-N 3.19Å; E620-R624 IonicContact OE2-CZ 3.63Å; E620-R624 IonicContact OE2-NH2 3.49Å; E620-R624 PolarHBondContact OE2-NH2 3.44Å; G622-R624 VanDerWaalsContact C-N 3.34Å; G622-R624 PolarHBondContact O-N 3.03Å; R624-L628 WeakPolarHBondContact O-CB 3.12Å; R624-L628 WeakPolarHBondContact O-CG 3.48Å; R624-L628 PolarHBondContact O-N 2.94Å |
| 625 | A | 82.1 | Confident | 87.2 | Confident | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K621 G622 E623 L628 E629 | K621-A625 WeakPolarHBondContact O-CB 3.49Å; K621-A625 PolarHBondContact O-N 3.37Å; G622-A625 WeakPolarHBondContact O-CA 3.28Å; G622-A625 WeakPolarHBondContact O-CB 3.27Å; G622-A625 PolarHBondContact O-N 3.25Å; E623-A625 VanDerWaalsContact C-N 3.32Å; E623-A625 PolarHBondContact O-N 2.87Å; A625-L628 PolarHBondContact O-N 3.35Å; A625-E629 WeakPolarHBondContact O-CB 3.37Å; A625-E629 PolarHBondContact O-N 3.48Å |
| 626 | E | 86.5 | Confident | 87.2 | Confident | 127 Ų | 127 | 107.8 Ų | 107.8 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 173.9 | -71 | 177.3 | -172.3 | 0 | 0 | 111.5 | G622 E623 L628 E629 I630 | G622-E626 PolarHBondContact O-N 2.93Å; E623-E626 PolarHBondContact O-N 3Å; E626-L628 VanDerWaalsContact C-N 3.34Å; E626-L628 PolarHBondContact O-N 2.96Å; E626-E629 PolarHBondContact O-N 3.09Å; E626-I630 WeakPolarHBondContact O-CG1 3.47Å; E626-I630 PolarHBondContact O-N 3.08Å |
| 627 | E | 87.6 | Confident | 87.3 | Confident | 133 Ų | 133 | 109.3 Ų | 109.3 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 173.4 | -76.8 | 179.9 | 179.9 | 0 | 0 | 112.2 | E623 E629 R631 | E623-E627 WeakPolarHBondContact O-CB 3.39Å; E623-E627 WeakPolarHBondContact O-CG 3.37Å; E623-E627 PolarHBondContact O-N 3.33Å; E627-E629 VanDerWaalsContact C-N 3.34Å; E627-R631 VanDerWaalsContact O-CB 3.29Å; E627-R631 WeakPolarHBondContact O-CB 3.33Å; E627-R631 PolarHBondContact O-N 3.36Å |
| 628 | L | 85.6 | Confident | 87.2 | Confident | 108 Ų | 108 | 110 Ų | 110 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.6 | -36 | 176.2 | -75.5 | 170.9 | 0 | 0 | 0 | 111.8 | R624 A625 E626 R631 L632 | R624-L628 WeakPolarHBondContact O-CB 3.12Å; R624-L628 WeakPolarHBondContact O-CG 3.48Å; R624-L628 PolarHBondContact O-N 2.94Å; A625-L628 PolarHBondContact O-N 3.35Å; E626-L628 VanDerWaalsContact C-N 3.34Å; E626-L628 PolarHBondContact O-N 2.96Å; L628-R631 CarbonylContact O-C 3.6Å; L628-R631 PolarHBondContact O-N 3.29Å; L628-L632 WeakPolarHBondContact O-CB 3.11Å; L628-L632 WeakPolarHBondContact O-CG 3.37Å; L628-L632 PolarHBondContact O-N 3.46Å |
| 629 | E | 84.9 | Confident | 87.2 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 176.5 | -168.9 | 171.9 | -170.7 | 0 | 0 | 111.5 | A625 E626 E627 R631 L632 Q633 | A625-E629 WeakPolarHBondContact O-CB 3.37Å; A625-E629 PolarHBondContact O-N 3.48Å; E626-E629 PolarHBondContact O-N 3.09Å; E627-E629 VanDerWaalsContact C-N 3.34Å; E629-R631 VanDerWaalsContact C-N 3.27Å; E629-R631 PolarHBondContact O-N 2.91Å; E629-L632 PolarHBondContact O-N 2.99Å; E629-Q633 WeakPolarHBondContact O-CG 3.38Å; E629-Q633 PolarHBondContact O-N 3.48Å |
| 630 | I | 91.2 | Very high | 87.3 | Confident | 116 Ų | 116 | 108 Ų | 108 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 172.3 | -67.1 | 167.2 | 0 | 0 | 0 | 110.2 | E626 Q633 K634 | E626-I630 WeakPolarHBondContact O-CG1 3.47Å; E626-I630 PolarHBondContact O-N 3.08Å; I630-Q633 PolarHBondContact O-N 3.24Å; I630-K634 WeakPolarHBondContact O-CB 3.5Å; I630-K634 PolarHBondContact O-N 2.97Å |
| 631 | R | 90.3 | Very high | 87.1 | Confident | 175 Ų | 175 | 106.4 Ų | 106.4 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.9 | -36.5 | 178.5 | -161.3 | 162.3 | -170.9 | 160.3 | 0.5 | 112.2 | E627 L628 E629 K634 L635 | E627-R631 VanDerWaalsContact O-CB 3.29Å; E627-R631 WeakPolarHBondContact O-CB 3.33Å; E627-R631 PolarHBondContact O-N 3.36Å; L628-R631 CarbonylContact O-C 3.6Å; L628-R631 PolarHBondContact O-N 3.29Å; E629-R631 VanDerWaalsContact C-N 3.27Å; E629-R631 PolarHBondContact O-N 2.91Å; R631-K634 PolarHBondContact O-N 3.27Å; R631-L635 HydrophobicContact CG-CD1 4.45Å; R631-L635 WeakPolarHBondContact O-CB 3.32Å; R631-L635 VanDerWaalsContact O-CG 3.25Å; R631-L635 WeakPolarHBondContact O-CG 3.41Å; R631-L635 PolarHBondContact O-N 3.48Å |
| 632 | L | 85.7 | Confident | 87.1 | Confident | 104 Ų | 104 | 105.8 Ų | 105.8 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 172.2 | -81.8 | 168.8 | 0 | 0 | 0 | 110.9 | L628 E629 K634 L635 E636 | L628-L632 WeakPolarHBondContact O-CB 3.11Å; L628-L632 WeakPolarHBondContact O-CG 3.37Å; L628-L632 PolarHBondContact O-N 3.46Å; E629-L632 PolarHBondContact O-N 2.99Å; L632-K634 PolarHBondContact O-N 2.92Å; L632-L635 CarbonylContact O-C 3.55Å; L632-L635 PolarHBondContact O-N 3.38Å; L632-L635 VanDerWaalsContact O-N 3.11Å; L632-E636 WeakPolarHBondContact O-CG 3.47Å; L632-E636 PolarHBondContact O-N 3.03Å |
| 633 | Q | 87.3 | Confident | 87.1 | Confident | 83 Ų | 83 | 110 Ų | 110 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -33.6 | 176.2 | -69 | -178.6 | 8.7 | 0 | 0 | 112.5 | E629 I630 R637 | E629-Q633 WeakPolarHBondContact O-CG 3.38Å; E629-Q633 PolarHBondContact O-N 3.48Å; I630-Q633 PolarHBondContact O-N 3.24Å; Q633-R637 WeakPolarHBondContact O-CG 3.45Å; Q633-R637 PolarHBondContact O-N 3.01Å; Q633-R637 PolarHBondContact O-NH1 3.41Å |
| 634 | K | 90.6 | Very high | 87.2 | Confident | 126 Ų | 126 | 111.4 Ų | 111.4 | 55% | 0.548 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -46.4 | 173.8 | -170.2 | -178.8 | -179.5 | -174.2 | 0 | 111 | I630 R631 L632 E636 R637 E638 | I630-K634 WeakPolarHBondContact O-CB 3.5Å; I630-K634 PolarHBondContact O-N 2.97Å; R631-K634 PolarHBondContact O-N 3.27Å; L632-K634 PolarHBondContact O-N 2.92Å; K634-E636 VanDerWaalsContact C-N 3.31Å; K634-E636 PolarHBondContact O-N 2.94Å; K634-R637 PolarHBondContact O-N 3.36Å; K634-E638 VanDerWaalsContact CE-OE1 3.23Å; K634-E638 WeakPolarHBondContact CE-OE1 3.33Å; K634-E638 WeakPolarHBondContact O-CG 3.31Å; K634-E638 PolarHBondContact O-N 3.27Å |
| 635 | L | 86.1 | Confident | 87.2 | Confident | 91 Ų | 91 | 111.1 Ų | 111.1 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 176.9 | -73.9 | 171 | 0 | 0 | 0 | 112.2 | R631 L632 E638 N639 | R631-L635 HydrophobicContact CG-CD1 4.45Å; R631-L635 WeakPolarHBondContact O-CB 3.32Å; R631-L635 VanDerWaalsContact O-CG 3.25Å; R631-L635 WeakPolarHBondContact O-CG 3.41Å; R631-L635 PolarHBondContact O-N 3.48Å; L632-L635 CarbonylContact O-C 3.55Å; L632-L635 PolarHBondContact O-N 3.38Å; L632-L635 VanDerWaalsContact O-N 3.11Å; L635-E638 PolarHBondContact O-N 3.19Å; L635-N639 WeakPolarHBondContact O-CB 3.35Å; L635-N639 PolarHBondContact O-N 3.19Å |
| 636 | E | 84.3 | Confident | 87.5 | Confident | 118 Ų | 118 | 113.3 Ų | 113.3 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -46.6 | 173.7 | -77.4 | 175.2 | 164.6 | 0 | 0 | 111.4 | L632 K634 E638 N639 E640 | L632-E636 WeakPolarHBondContact O-CG 3.47Å; L632-E636 PolarHBondContact O-N 3.03Å; K634-E636 VanDerWaalsContact C-N 3.31Å; K634-E636 PolarHBondContact O-N 2.94Å; E636-E638 VanDerWaalsContact C-N 3.34Å; E636-E638 PolarHBondContact O-N 3.42Å; E636-N639 PolarHBondContact O-N 2.92Å; E636-E640 WeakPolarHBondContact O-CG 3.4Å; E636-E640 PolarHBondContact O-N 3.35Å |
| 637 | R | 89.9 | Confident | 87.4 | Confident | 151 Ų | 151 | 110 Ų | 110 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 174.7 | -68.6 | -179.2 | -165.4 | 96.1 | -4.3 | 112.2 | Q633 K634 N639 S641 | Q633-R637 WeakPolarHBondContact O-CG 3.45Å; Q633-R637 PolarHBondContact O-N 3.01Å; Q633-R637 PolarHBondContact O-NH1 3.41Å; K634-R637 PolarHBondContact O-N 3.36Å; R637-N639 VanDerWaalsContact C-N 3.34Å; R637-S641 WeakPolarHBondContact O-CB 3.28Å; R637-S641 PolarHBondContact O-N 2.99Å |
| 638 | E | 88.9 | Confident | 87.4 | Confident | 90 Ų | 90 | 107.8 Ų | 107.8 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 173.8 | -74.6 | 175.2 | -167.3 | 0 | 0 | 111.1 | K634 L635 E636 S641 L642 | K634-E638 VanDerWaalsContact CE-OE1 3.23Å; K634-E638 WeakPolarHBondContact CE-OE1 3.33Å; K634-E638 WeakPolarHBondContact O-CG 3.31Å; K634-E638 PolarHBondContact O-N 3.27Å; L635-E638 PolarHBondContact O-N 3.19Å; E636-E638 VanDerWaalsContact C-N 3.34Å; E636-E638 PolarHBondContact O-N 3.42Å; E638-S641 WeakPolarHBondContact O-CB 3.02Å; E638-S641 PolarHBondContact O-N 3.24Å; E638-L642 WeakPolarHBondContact O-CB 3.44Å; E638-L642 VanDerWaalsContact O-CG 3.26Å; E638-L642 WeakPolarHBondContact O-CG 3.47Å; E638-L642 PolarHBondContact O-N 3.46Å |
| 639 | N | 84.8 | Confident | 87.4 | Confident | 89 Ų | 89 | 107.6 Ų | 107.6 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 178.2 | -165.4 | 29.6 | 0 | 0 | 0 | 111.9 | L635 E636 R637 L642 Q643 | L635-N639 WeakPolarHBondContact O-CB 3.35Å; L635-N639 PolarHBondContact O-N 3.19Å; E636-N639 PolarHBondContact O-N 2.92Å; R637-N639 VanDerWaalsContact C-N 3.34Å; N639-L642 PolarHBondContact O-N 2.98Å; N639-Q643 WeakPolarHBondContact O-CB 3.41Å; N639-Q643 WeakPolarHBondContact O-CG 3.12Å; N639-Q643 PolarHBondContact O-N 3.08Å |
| 640 | E | 90 | Very high | 87.5 | Confident | 115 Ų | 115 | 103.5 Ų | 103.5 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 172.1 | -74.5 | -179.7 | -179.2 | 0 | 0 | 111.8 | E636 Q643 K644 | E636-E640 WeakPolarHBondContact O-CG 3.4Å; E636-E640 PolarHBondContact O-N 3.35Å; E640-Q643 PolarHBondContact O-N 3.49Å; E640-K644 WeakPolarHBondContact O-CG 3.33Å; E640-K644 PolarHBondContact O-N 2.81Å |
| 641 | S | 85.9 | Confident | 87.4 | Confident | 55 Ų | 55 | 103.4 Ų | 103.4 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | R637 E638 K644 K645 | R637-S641 WeakPolarHBondContact O-CB 3.28Å; R637-S641 PolarHBondContact O-N 2.99Å; E638-S641 WeakPolarHBondContact O-CB 3.02Å; E638-S641 PolarHBondContact O-N 3.24Å; S641-K644 PolarHBondContact O-N 3.34Å; S641-K645 WeakPolarHBondContact O-CG 3.3Å; S641-K645 PolarHBondContact O-N 3.34Å |
| 642 | L | 85.8 | Confident | 87.1 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175.5 | -73.2 | 172 | 0 | 0 | 0 | 111.7 | E638 N639 K644 K645 V646 | E638-L642 WeakPolarHBondContact O-CB 3.44Å; E638-L642 VanDerWaalsContact O-CG 3.26Å; E638-L642 WeakPolarHBondContact O-CG 3.47Å; E638-L642 PolarHBondContact O-N 3.46Å; N639-L642 PolarHBondContact O-N 2.98Å; L642-K644 PolarHBondContact O-N 3.01Å; L642-K645 CarbonylContact O-C 3.59Å; L642-K645 WeakPolarHBondContact O-CB 3.41Å; L642-K645 PolarHBondContact O-N 2.95Å; L642-V646 WeakPolarHBondContact O-CB 3.45Å; L642-V646 VanDerWaalsContact O-CG2 3.26Å; L642-V646 WeakPolarHBondContact O-CG2 3.41Å; L642-V646 PolarHBondContact O-N 3.2Å |
| 643 | Q | 85.4 | Confident | 86.9 | Confident | 120 Ų | 120 | 97.1 Ų | 97.1 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 173.6 | -82.2 | -179 | -9.1 | 0 | 0 | 111.9 | N639 E640 K645 V646 A647 | N639-Q643 WeakPolarHBondContact O-CB 3.41Å; N639-Q643 WeakPolarHBondContact O-CG 3.12Å; N639-Q643 PolarHBondContact O-N 3.08Å; E640-Q643 PolarHBondContact O-N 3.49Å; Q643-K645 VanDerWaalsContact C-N 3.34Å; Q643-K645 PolarHBondContact O-N 2.9Å; Q643-V646 PolarHBondContact O-N 3.04Å; Q643-A647 WeakPolarHBondContact O-CB 3.22Å; Q643-A647 PolarHBondContact O-N 3.47Å |
| 644 | K | 90.3 | Very high | 86.9 | Confident | 146 Ų | 146 | 99.7 Ų | 99.7 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.4 | -42.7 | 173.1 | -72.5 | 173.3 | -176 | 173.8 | 0 | 111.4 | E640 S641 L642 A647 T648 | E640-K644 WeakPolarHBondContact O-CG 3.33Å; E640-K644 PolarHBondContact O-N 2.81Å; S641-K644 PolarHBondContact O-N 3.34Å; L642-K644 PolarHBondContact O-N 3.01Å; K644-A647 PolarHBondContact O-N 3.39Å; K644-T648 WeakPolarHBondContact O-CB 3.43Å; K644-T648 PolarHBondContact O-N 3Å; K644-T648 PolarHBondContact O-OG1 2.79Å |
| 645 | K | 88.7 | Confident | 86.8 | Confident | 123 Ų | 123 | 100.7 Ų | 100.7 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 175.2 | -72.7 | 175.4 | -177.8 | 179.4 | 0 | 112.1 | S641 L642 Q643 T648 L649 | S641-K645 WeakPolarHBondContact O-CG 3.3Å; S641-K645 PolarHBondContact O-N 3.34Å; L642-K645 CarbonylContact O-C 3.59Å; L642-K645 WeakPolarHBondContact O-CB 3.41Å; L642-K645 PolarHBondContact O-N 2.95Å; Q643-K645 VanDerWaalsContact C-N 3.34Å; Q643-K645 PolarHBondContact O-N 2.9Å; K645-T648 PolarHBondContact O-N 3.42Å; K645-L649 WeakPolarHBondContact O-CB 3.34Å; K645-L649 VanDerWaalsContact O-CG 3.31Å; K645-L649 WeakPolarHBondContact O-CG 3.39Å; K645-L649 PolarHBondContact O-N 2.88Å |
| 646 | V | 86.8 | Confident | 86.8 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L642 Q643 T648 L649 G650 | L642-V646 WeakPolarHBondContact O-CB 3.45Å; L642-V646 VanDerWaalsContact O-CG2 3.26Å; L642-V646 WeakPolarHBondContact O-CG2 3.41Å; L642-V646 PolarHBondContact O-N 3.2Å; Q643-V646 PolarHBondContact O-N 3.04Å; V646-T648 VanDerWaalsContact C-N 3.35Å; V646-L649 PolarHBondContact O-N 3.42Å; V646-G650 PolarHBondContact O-N 2.85Å |
| 647 | A | 86 | Confident | 86.8 | Confident | 59 Ų | 59 | 97.5 Ų | 97.5 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q643 K644 G650 I651 | Q643-A647 WeakPolarHBondContact O-CB 3.22Å; Q643-A647 PolarHBondContact O-N 3.47Å; K644-A647 PolarHBondContact O-N 3.39Å; A647-G650 PolarHBondContact O-N 3.38Å; A647-I651 WeakPolarHBondContact O-CG1 3.48Å; A647-I651 PolarHBondContact O-N 2.94Å |
| 648 | T | 87.2 | Confident | 86.7 | Confident | 85 Ų | 85 | 94 Ų | 94 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.2 | -45.8 | 0 | 0 | 0 | 0 | 111 | K644 K645 V646 G650 I651 T652 | K644-T648 WeakPolarHBondContact O-CB 3.43Å; K644-T648 PolarHBondContact O-N 3Å; K644-T648 PolarHBondContact O-OG1 2.79Å; K645-T648 PolarHBondContact O-N 3.42Å; V646-T648 VanDerWaalsContact C-N 3.35Å; T648-G650 VanDerWaalsContact C-N 3.31Å; T648-G650 PolarHBondContact O-N 3.4Å; T648-I651 PolarHBondContact O-N 2.85Å; T648-T652 WeakPolarHBondContact O-CG2 3.49Å; T648-T652 PolarHBondContact O-N 2.85Å |
| 649 | L | 85.1 | Confident | 86.5 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 175 | -75.8 | 170.5 | 0 | 0 | 0 | 111.6 | K645 V646 T652 C653 | K645-L649 WeakPolarHBondContact O-CB 3.34Å; K645-L649 VanDerWaalsContact O-CG 3.31Å; K645-L649 WeakPolarHBondContact O-CG 3.39Å; K645-L649 PolarHBondContact O-N 2.88Å; V646-L649 PolarHBondContact O-N 3.42Å; L649-T652 VanDerWaalsContact CA-OG1 3.25Å; L649-T652 WeakPolarHBondContact CA-OG1 3.3Å; L649-T652 CarbonylContact O-C 3.43Å; L649-T652 PolarHBondContact O-N 3.15Å; L649-T652 VanDerWaalsContact O-N 3.17Å; L649-T652 PolarHBondContact O-OG1 3.37Å; L649-C653 WeakPolarHBondContact O-CB 3.25Å; L649-C653 PolarHBondContact O-N 2.73Å; L649-C653 PolarHBondContact O-SG 2.96Å |
| 650 | G | 88.1 | Confident | 86.6 | Confident | 30 Ų | 30 | 95.8 Ų | 95.8 | 31% | 0.309 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57 | -49.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V646 A647 T648 T652 C653 E654 | V646-G650 PolarHBondContact O-N 2.85Å; A647-G650 PolarHBondContact O-N 3.38Å; T648-G650 VanDerWaalsContact C-N 3.31Å; T648-G650 PolarHBondContact O-N 3.4Å; G650-T652 VanDerWaalsContact C-N 3.29Å; G650-T652 PolarHBondContact O-N 2.88Å; G650-C653 PolarHBondContact O-N 3.09Å; G650-C653 VanDerWaalsContact O-N 3.16Å; G650-E654 WeakPolarHBondContact O-CG 3.41Å; G650-E654 PolarHBondContact O-N 3.28Å |
| 651 | I | 88.9 | Confident | 86.5 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 59% | 0.59 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 175.5 | -60.1 | 167 | 0 | 0 | 0 | 110.8 | A647 T648 E654 K655 | A647-I651 WeakPolarHBondContact O-CG1 3.48Å; A647-I651 PolarHBondContact O-N 2.94Å; T648-I651 PolarHBondContact O-N 2.85Å; I651-E654 PolarHBondContact O-N 3.18Å; I651-K655 PolarHBondContact O-N 3.42Å |
| 652 | T | 83.3 | Confident | 86.6 | Confident | 64 Ų | 64 | 99.1 Ų | 99.1 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 175.9 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | T648 L649 G650 K655 V656 | T648-T652 WeakPolarHBondContact O-CG2 3.49Å; T648-T652 PolarHBondContact O-N 2.85Å; L649-T652 VanDerWaalsContact CA-OG1 3.25Å; L649-T652 WeakPolarHBondContact CA-OG1 3.3Å; L649-T652 CarbonylContact O-C 3.43Å; L649-T652 PolarHBondContact O-N 3.15Å; L649-T652 VanDerWaalsContact O-N 3.17Å; L649-T652 PolarHBondContact O-OG1 3.37Å; G650-T652 VanDerWaalsContact C-N 3.29Å; G650-T652 PolarHBondContact O-N 2.88Å; T652-K655 WeakPolarHBondContact O-CB 3.43Å; T652-K655 PolarHBondContact O-N 2.9Å; T652-V656 VanDerWaalsContact O-CG2 3.3Å; T652-V656 WeakPolarHBondContact O-CG2 3.02Å; T652-V656 PolarHBondContact O-N 3.35Å |
| 653 | C | 80.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 98.8 Ų | 98.8 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -40 | 175.6 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | L649 G650 K655 V656 S657 | L649-C653 WeakPolarHBondContact O-CB 3.25Å; L649-C653 PolarHBondContact O-N 2.73Å; L649-C653 PolarHBondContact O-SG 2.96Å; G650-C653 PolarHBondContact O-N 3.09Å; G650-C653 VanDerWaalsContact O-N 3.16Å; C653-K655 VanDerWaalsContact C-N 3.32Å; C653-K655 PolarHBondContact O-N 3.07Å; C653-V656 PolarHBondContact O-N 3.42Å; C653-S657 WeakPolarHBondContact O-CB 3.47Å; C653-S657 PolarHBondContact O-N 3.4Å |
| 654 | E | 86.8 | Confident | 86.6 | Confident | 136 Ų | 136 | 95.7 Ų | 95.7 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -40.1 | 172.9 | -72.5 | 175.6 | -177 | 0 | 0 | 111.7 | G650 I651 S657 S658 | G650-E654 WeakPolarHBondContact O-CG 3.41Å; G650-E654 PolarHBondContact O-N 3.28Å; I651-E654 PolarHBondContact O-N 3.18Å; E654-S657 PolarHBondContact O-N 3.43Å; E654-S658 WeakPolarHBondContact O-CB 3.39Å; E654-S658 PolarHBondContact O-N 3.47Å; E654-S658 PolarHBondContact O-OG 3.44Å |
| 655 | K | 88.8 | Confident | 86.6 | Confident | 147 Ų | 147 | 94 Ų | 94 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 174.2 | -170.9 | 174.6 | -177.8 | 179.5 | 0 | 111.9 | I651 T652 C653 S658 L659 | I651-K655 PolarHBondContact O-N 3.42Å; T652-K655 WeakPolarHBondContact O-CB 3.43Å; T652-K655 PolarHBondContact O-N 2.9Å; C653-K655 VanDerWaalsContact C-N 3.32Å; C653-K655 PolarHBondContact O-N 3.07Å; K655-S658 WeakPolarHBondContact O-CB 3.42Å; K655-S658 PolarHBondContact O-N 3Å; K655-L659 HydrophobicContact CG-CD1 4.48Å; K655-L659 WeakPolarHBondContact O-CG 3.46Å; K655-L659 PolarHBondContact O-N 2.69Å |
| 656 | V | 86 | Confident | 86.5 | Confident | 74 Ų | 74 | 93.1 Ų | 93.1 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | T652 C653 S658 L659 E660 | T652-V656 VanDerWaalsContact O-CG2 3.3Å; T652-V656 WeakPolarHBondContact O-CG2 3.02Å; T652-V656 PolarHBondContact O-N 3.35Å; C653-V656 PolarHBondContact O-N 3.42Å; V656-S658 VanDerWaalsContact C-N 3.28Å; V656-S658 PolarHBondContact O-N 2.93Å; V656-L659 CarbonylContact O-C 3.25Å; V656-L659 PolarHBondContact O-N 2.87Å; V656-L659 VanDerWaalsContact O-N 3.11Å; V656-E660 HydrophobicContact CG1-CG 4.24Å; V656-E660 WeakPolarHBondContact O-CB 3.3Å; V656-E660 WeakPolarHBondContact O-CG 3.43Å; V656-E660 PolarHBondContact O-N 3.36Å |
| 657 | S | 85.6 | Confident | 86.5 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 176.6 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | C653 E654 E660 K661 | C653-S657 WeakPolarHBondContact O-CB 3.47Å; C653-S657 PolarHBondContact O-N 3.4Å; E654-S657 PolarHBondContact O-N 3.43Å; S657-E660 PolarHBondContact O-N 3.09Å; S657-K661 WeakPolarHBondContact O-CB 3.39Å; S657-K661 PolarHBondContact O-N 3.22Å |
| 658 | S | 87.9 | Confident | 86.7 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | E654 K655 V656 K661 E662 | E654-S658 WeakPolarHBondContact O-CB 3.39Å; E654-S658 PolarHBondContact O-N 3.47Å; E654-S658 PolarHBondContact O-OG 3.44Å; K655-S658 WeakPolarHBondContact O-CB 3.42Å; K655-S658 PolarHBondContact O-N 3Å; V656-S658 VanDerWaalsContact C-N 3.28Å; V656-S658 PolarHBondContact O-N 2.93Å; S658-K661 PolarHBondContact O-N 3.09Å; S658-E662 PolarHBondContact O-N 3.5Å |
| 659 | L | 85.2 | Confident | 86.7 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -37.1 | 175.6 | -70.9 | 171 | 0 | 0 | 0 | 112.6 | K655 V656 K661 E662 N663 | K655-L659 HydrophobicContact CG-CD1 4.48Å; K655-L659 WeakPolarHBondContact O-CG 3.46Å; K655-L659 PolarHBondContact O-N 2.69Å; V656-L659 CarbonylContact O-C 3.25Å; V656-L659 PolarHBondContact O-N 2.87Å; V656-L659 VanDerWaalsContact O-N 3.11Å; L659-K661 VanDerWaalsContact C-N 3.33Å; L659-E662 PolarHBondContact O-N 3.25Å; L659-N663 VanDerWaalsContact O-CB 3.29Å; L659-N663 WeakPolarHBondContact O-CB 3.46Å; L659-N663 PolarHBondContact O-N 3.44Å |
| 660 | E | 85.4 | Confident | 86.8 | Confident | 125 Ų | 125 | 90.5 Ų | 90.5 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 174 | -76.3 | 177 | 165 | 0 | 0 | 111.1 | V656 S657 N663 S664 | V656-E660 HydrophobicContact CG1-CG 4.24Å; V656-E660 WeakPolarHBondContact O-CB 3.3Å; V656-E660 WeakPolarHBondContact O-CG 3.43Å; V656-E660 PolarHBondContact O-N 3.36Å; S657-E660 PolarHBondContact O-N 3.09Å; E660-N663 PolarHBondContact O-N 3.43Å; E660-S664 WeakPolarHBondContact O-CB 3.26Å; E660-S664 PolarHBondContact O-N 2.9Å |
| 661 | K | 89 | Confident | 86.8 | Confident | 131 Ų | 131 | 96.2 Ų | 96.2 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -49.3 | 173.6 | -173.2 | -177.4 | 174.8 | -170.3 | 0 | 110.9 | S657 S658 L659 N663 S664 E665 | S657-K661 WeakPolarHBondContact O-CB 3.39Å; S657-K661 PolarHBondContact O-N 3.22Å; S658-K661 PolarHBondContact O-N 3.09Å; L659-K661 VanDerWaalsContact C-N 3.33Å; K661-N663 VanDerWaalsContact C-N 3.31Å; K661-N663 PolarHBondContact O-N 3.19Å; K661-S664 PolarHBondContact O-N 2.87Å; K661-S664 VanDerWaalsContact O-N 3.16Å; K661-S664 PolarHBondContact O-OG 3.36Å; K661-E665 VanDerWaalsContact CE-OE1 3.25Å; K661-E665 WeakPolarHBondContact CE-OE1 3.47Å; K661-E665 WeakPolarHBondContact O-CG 3.49Å; K661-E665 PolarHBondContact O-N 3.44Å |
| 662 | E | 88.3 | Confident | 87 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 176 | -172.2 | 176.4 | -177 | 0 | 0 | 111.6 | S658 L659 S664 E665 L666 | S658-E662 PolarHBondContact O-N 3.5Å; L659-E662 PolarHBondContact O-N 3.25Å; E662-S664 PolarHBondContact O-N 2.94Å; E662-E665 PolarHBondContact O-N 3.39Å; E662-L666 HydrophobicContact CG-CD1 4.35Å; E662-L666 WeakPolarHBondContact O-CB 3.46Å; E662-L666 WeakPolarHBondContact O-CG 3.43Å; E662-L666 PolarHBondContact O-N 3.29Å |
| 663 | N | 81.8 | Confident | 87.1 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 176.1 | -171 | 51.7 | 0 | 0 | 0 | 111.9 | L659 E660 K661 E665 L666 E667 | L659-N663 VanDerWaalsContact O-CB 3.29Å; L659-N663 WeakPolarHBondContact O-CB 3.46Å; L659-N663 PolarHBondContact O-N 3.44Å; E660-N663 PolarHBondContact O-N 3.43Å; K661-N663 VanDerWaalsContact C-N 3.31Å; K661-N663 PolarHBondContact O-N 3.19Å; N663-E665 VanDerWaalsContact C-N 3.32Å; N663-E665 PolarHBondContact O-N 2.83Å; N663-L666 PolarHBondContact O-N 3.38Å; N663-E667 PolarHBondContact ND2-OE1 3.14Å; N663-E667 WeakPolarHBondContact O-CB 3.49Å; N663-E667 WeakPolarHBondContact O-CG 3.31Å; N663-E667 PolarHBondContact O-N 2.89Å |
| 664 | S | 89.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 100.4 Ų | 100.4 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 175.6 | 78.7 | 0 | 0 | 0 | 0 | 112.4 | E660 K661 E662 E667 V668 | E660-S664 WeakPolarHBondContact O-CB 3.26Å; E660-S664 PolarHBondContact O-N 2.9Å; K661-S664 PolarHBondContact O-N 2.87Å; K661-S664 VanDerWaalsContact O-N 3.16Å; K661-S664 PolarHBondContact O-OG 3.36Å; E662-S664 PolarHBondContact O-N 2.94Å; S664-E667 PolarHBondContact O-N 3.42Å; S664-V668 VanDerWaalsContact O-CG2 3.31Å; S664-V668 WeakPolarHBondContact O-CG2 3.43Å; S664-V668 PolarHBondContact O-N 3.48Å |
| 665 | E | 89.1 | Confident | 87.7 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 174.8 | -71.3 | 175.2 | -171.6 | 0 | 0 | 110.7 | K661 E662 N663 E667 V668 E669 | K661-E665 VanDerWaalsContact CE-OE1 3.25Å; K661-E665 WeakPolarHBondContact CE-OE1 3.47Å; K661-E665 WeakPolarHBondContact O-CG 3.49Å; K661-E665 PolarHBondContact O-N 3.44Å; E662-E665 PolarHBondContact O-N 3.39Å; N663-E665 VanDerWaalsContact C-N 3.32Å; N663-E665 PolarHBondContact O-N 2.83Å; E665-E667 PolarHBondContact O-N 2.95Å; E665-V668 PolarHBondContact O-N 3.11Å; E665-E669 WeakPolarHBondContact O-CB 3.35Å; E665-E669 PolarHBondContact O-N 3.32Å |
| 666 | L | 86.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 99.4 Ų | 99.4 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -36.7 | 173.8 | -70.9 | 173.6 | 0 | 0 | 0 | 112.6 | E662 N663 E669 G670 | E662-L666 HydrophobicContact CG-CD1 4.35Å; E662-L666 WeakPolarHBondContact O-CB 3.46Å; E662-L666 WeakPolarHBondContact O-CG 3.43Å; E662-L666 PolarHBondContact O-N 3.29Å; N663-L666 PolarHBondContact O-N 3.38Å; L666-E669 PolarHBondContact O-N 2.97Å; L666-G670 PolarHBondContact O-N 3.18Å |
| 667 | E | 86.3 | Confident | 87.7 | Confident | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 174 | -78.6 | -177.5 | -173.3 | 0 | 0 | 112.5 | N663 S664 E665 E669 G670 R671 | N663-E667 PolarHBondContact ND2-OE1 3.14Å; N663-E667 WeakPolarHBondContact O-CB 3.49Å; N663-E667 WeakPolarHBondContact O-CG 3.31Å; N663-E667 PolarHBondContact O-N 2.89Å; S664-E667 PolarHBondContact O-N 3.42Å; E665-E667 PolarHBondContact O-N 2.95Å; E667-E669 VanDerWaalsContact C-N 3.32Å; E667-G670 PolarHBondContact O-N 3.06Å; E667-R671 WeakPolarHBondContact O-CB 3.31Å; E667-R671 WeakPolarHBondContact O-CG 3.39Å; E667-R671 PolarHBondContact O-N 3.48Å |
| 668 | V | 90.6 | Very high | 88 | Confident | 84 Ų | 84 | 100.1 Ų | 100.1 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 172.8 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | S664 E665 R671 R672 | S664-V668 VanDerWaalsContact O-CG2 3.31Å; S664-V668 WeakPolarHBondContact O-CG2 3.43Å; S664-V668 PolarHBondContact O-N 3.48Å; E665-V668 PolarHBondContact O-N 3.11Å; V668-R671 PolarHBondContact O-N 3Å; V668-R672 WeakPolarHBondContact O-CB 3.38Å; V668-R672 PolarHBondContact O-N 3.43Å |
| 669 | E | 88.4 | Confident | 87.9 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 176.4 | -173.7 | 50.1 | -139.5 | 0 | 0 | 111.9 | E665 L666 E667 R671 R672 L673 | E665-E669 WeakPolarHBondContact O-CB 3.35Å; E665-E669 PolarHBondContact O-N 3.32Å; L666-E669 PolarHBondContact O-N 2.97Å; E667-E669 VanDerWaalsContact C-N 3.32Å; E669-R671 PolarHBondContact O-N 3.48Å; E669-R672 VanDerWaalsContact CD-NE 3.26Å; E669-R672 WeakPolarHBondContact O-CB 3.28Å; E669-R672 PolarHBondContact O-N 3.27Å; E669-R672 VanDerWaalsContact O-N 3.13Å; E669-R672 IonicContact OE1-CZ 2.74Å; E669-R672 IonicContact OE1-NE 2.61Å; E669-R672 PolarHBondContact OE1-NE 2.9Å; E669-R672 IonicContact OE1-NH2 3.68Å; E669-R672 PolarHBondContact OE1-NH2 3.5Å; E669-R672 IonicContact OE2-CZ 3.89Å; E669-R672 IonicContact OE2-NE 3.44Å; E669-R672 PolarHBondContact OE2-NE 2.88Å; E669-R672 IonicContact OE2-NH2 3.15Å; E669-R672 PolarHBondContact OE2-NH2 2.95Å; E669-L673 HydrophobicContact CG-CD1 4.5Å; E669-L673 WeakPolarHBondContact O-CG 3.39Å; E669-L673 PolarHBondContact O-N 3.11Å |
| 670 | G | 85.5 | Confident | 88.1 | Confident | 38 Ų | 38 | 100.5 Ų | 100.5 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | L666 E667 R672 L673 K674 | L666-G670 PolarHBondContact O-N 3.18Å; E667-G670 PolarHBondContact O-N 3.06Å; G670-R672 VanDerWaalsContact C-N 3.32Å; G670-R672 PolarHBondContact O-N 3.3Å; G670-L673 PolarHBondContact O-N 3.28Å; G670-K674 WeakPolarHBondContact O-CB 3.25Å; G670-K674 PolarHBondContact O-N 3.04Å |
| 671 | R | 88.7 | Confident | 88.2 | Confident | 151 Ų | 151 | 99.6 Ų | 99.6 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -37.1 | 173.3 | -76.1 | -175.2 | -73 | -153.7 | -2.8 | 112.1 | E667 V668 E669 K674 K675 | E667-R671 WeakPolarHBondContact O-CB 3.31Å; E667-R671 WeakPolarHBondContact O-CG 3.39Å; E667-R671 PolarHBondContact O-N 3.48Å; V668-R671 PolarHBondContact O-N 3Å; E669-R671 PolarHBondContact O-N 3.48Å; R671-K674 PolarHBondContact O-N 3.42Å; R671-K675 WeakPolarHBondContact O-CG 3.4Å; R671-K675 PolarHBondContact O-N 2.85Å |
| 672 | R | 92.3 | Very high | 88.2 | Confident | 118 Ų | 118 | 98.1 Ų | 98.1 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 176.1 | -169 | -172.4 | 75.8 | 116.2 | -1.5 | 111.5 | V668 E669 G670 K675 K676 | V668-R672 WeakPolarHBondContact O-CB 3.38Å; V668-R672 PolarHBondContact O-N 3.43Å; E669-R672 VanDerWaalsContact CD-NE 3.26Å; E669-R672 WeakPolarHBondContact O-CB 3.28Å; E669-R672 PolarHBondContact O-N 3.27Å; E669-R672 VanDerWaalsContact O-N 3.13Å; E669-R672 IonicContact OE1-CZ 2.74Å; E669-R672 IonicContact OE1-NE 2.61Å; E669-R672 PolarHBondContact OE1-NE 2.9Å; E669-R672 IonicContact OE1-NH2 3.68Å; E669-R672 PolarHBondContact OE1-NH2 3.5Å; E669-R672 IonicContact OE2-CZ 3.89Å; E669-R672 IonicContact OE2-NE 3.44Å; E669-R672 PolarHBondContact OE2-NE 2.88Å; E669-R672 IonicContact OE2-NH2 3.15Å; E669-R672 PolarHBondContact OE2-NH2 2.95Å; G670-R672 VanDerWaalsContact C-N 3.32Å; G670-R672 PolarHBondContact O-N 3.3Å; R672-K675 PolarHBondContact O-N 3.36Å; R672-K676 PolarHBondContact O-N 2.93Å; R672-K676 VanDerWaalsContact O-N 3.07Å |
| 673 | L | 86.2 | Confident | 88.1 | Confident | 94 Ų | 94 | 98.5 Ų | 98.5 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176 | -70.5 | 173.3 | 0 | 0 | 0 | 111.6 | E669 G670 K675 K676 L677 | E669-L673 HydrophobicContact CG-CD1 4.5Å; E669-L673 WeakPolarHBondContact O-CG 3.39Å; E669-L673 PolarHBondContact O-N 3.11Å; G670-L673 PolarHBondContact O-N 3.28Å; L673-K675 PolarHBondContact O-N 3.21Å; L673-K676 WeakPolarHBondContact O-CB 3.47Å; L673-K676 PolarHBondContact O-N 3.4Å; L673-L677 PolarHBondContact O-N 3.03Å |
| 674 | K | 89.6 | Confident | 88.3 | Confident | 138 Ų | 138 | 97 Ų | 97 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 173.9 | -172.8 | 170.3 | -178.3 | 173.7 | 0 | 112.2 | G670 R671 K676 L677 D678 | G670-K674 WeakPolarHBondContact O-CB 3.25Å; G670-K674 PolarHBondContact O-N 3.04Å; R671-K674 PolarHBondContact O-N 3.42Å; K674-K676 VanDerWaalsContact C-N 3.31Å; K674-K676 PolarHBondContact O-N 3.02Å; K674-L677 WeakPolarHBondContact O-CB 3.38Å; K674-L677 PolarHBondContact O-N 3.1Å; K674-L677 VanDerWaalsContact O-N 3.16Å; K674-D678 PolarHBondContact O-N 3.07Å |
| 675 | K | 91.5 | Very high | 88.2 | Confident | 161 Ų | 161 | 100.9 Ų | 100.9 | 70% | 0.7 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -39.9 | 173.8 | -75.2 | -179.1 | 178.5 | -178.3 | 0 | 112.6 | R671 R672 L673 D678 A679 | R671-K675 WeakPolarHBondContact O-CG 3.4Å; R671-K675 PolarHBondContact O-N 2.85Å; R672-K675 PolarHBondContact O-N 3.36Å; L673-K675 PolarHBondContact O-N 3.21Å; K675-D678 PolarHBondContact O-N 2.97Å; K675-A679 WeakPolarHBondContact O-CB 3.34Å; K675-A679 PolarHBondContact O-N 3.1Å |
| 676 | K | 89 | Confident | 88 | Confident | 101 Ų | 101 | 101.6 Ų | 101.6 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.6 | -72.3 | -179.4 | 177.8 | 180 | 0 | 111.9 | R672 L673 K674 A679 L680 | R672-K676 PolarHBondContact O-N 2.93Å; R672-K676 VanDerWaalsContact O-N 3.07Å; L673-K676 WeakPolarHBondContact O-CB 3.47Å; L673-K676 PolarHBondContact O-N 3.4Å; K674-K676 VanDerWaalsContact C-N 3.31Å; K674-K676 PolarHBondContact O-N 3.02Å; K676-A679 PolarHBondContact O-N 3.44Å; K676-L680 WeakPolarHBondContact O-CG 3.38Å; K676-L680 PolarHBondContact O-N 3.17Å |
| 677 | L | 86 | Confident | 87.9 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.1 | -178.5 | 65.9 | 0 | 0 | 0 | 111.5 | L673 K674 A679 L680 K681 | L673-L677 PolarHBondContact O-N 3.03Å; K674-L677 WeakPolarHBondContact O-CB 3.38Å; K674-L677 PolarHBondContact O-N 3.1Å; K674-L677 VanDerWaalsContact O-N 3.16Å; L677-A679 VanDerWaalsContact C-N 3.34Å; L677-L680 PolarHBondContact O-N 3.22Å; L677-K681 WeakPolarHBondContact O-CG 3.42Å; L677-K681 PolarHBondContact O-N 3.43Å |
| 678 | D | 90.1 | Very high | 88 | Confident | 66 Ų | 66 | 100.2 Ų | 100.2 | 35% | 0.353 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 177.6 | -66.7 | -25.7 | 0 | 0 | 0 | 111.3 | K674 K675 K681 N682 | K674-D678 PolarHBondContact O-N 3.07Å; K675-D678 PolarHBondContact O-N 2.97Å; D678-K681 PolarHBondContact O-N 2.96Å; D678-N682 VanDerWaalsContact O-CG 3.24Å; D678-N682 PolarHBondContact O-N 3.4Å; D678-N682 PolarHBondContact O-ND2 3.5Å |
| 679 | A | 87.6 | Confident | 87.9 | Confident | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | K675 K676 L677 N682 M683 | K675-A679 WeakPolarHBondContact O-CB 3.34Å; K675-A679 PolarHBondContact O-N 3.1Å; K676-A679 PolarHBondContact O-N 3.44Å; L677-A679 VanDerWaalsContact C-N 3.34Å; A679-N682 PolarHBondContact O-N 3.45Å; A679-M683 WeakPolarHBondContact O-CB 3.25Å; A679-M683 PolarHBondContact O-N 2.87Å |
| 680 | L | 87.4 | Confident | 87.7 | Confident | 121 Ų | 121 | 100.8 Ų | 100.8 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 175.1 | -73.2 | 171.7 | 0 | 0 | 0 | 112.2 | K676 L677 M683 A684 | K676-L680 WeakPolarHBondContact O-CG 3.38Å; K676-L680 PolarHBondContact O-N 3.17Å; L677-L680 PolarHBondContact O-N 3.22Å; L680-M683 WeakPolarHBondContact O-CB 3.29Å; L680-M683 PolarHBondContact O-N 3.32Å; L680-A684 PolarHBondContact O-N 3.42Å |
| 681 | K | 88.9 | Confident | 87.8 | Confident | 106 Ų | 106 | 105.5 Ų | 105.5 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173.6 | -74.3 | 176.3 | 179.2 | 176.1 | 0 | 111.7 | L677 D678 M683 A684 F685 | L677-K681 WeakPolarHBondContact O-CG 3.42Å; L677-K681 PolarHBondContact O-N 3.43Å; D678-K681 PolarHBondContact O-N 2.96Å; K681-M683 VanDerWaalsContact C-N 3.32Å; K681-M683 PolarHBondContact O-N 2.86Å; K681-A684 WeakPolarHBondContact O-CB 3.18Å; K681-A684 PolarHBondContact O-N 3.31Å; K681-F685 WeakPolarHBondContact O-CD2 3.48Å; K681-F685 PolarHBondContact O-N 2.91Å |
| 682 | N | 88.6 | Confident | 87.9 | Confident | 99 Ų | 99 | 104.1 Ų | 104.1 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.3 | -70.1 | -19.1 | 0 | 0 | 0 | 111.8 | D678 A679 A684 F685 Q686 | D678-N682 VanDerWaalsContact O-CG 3.24Å; D678-N682 PolarHBondContact O-N 3.4Å; D678-N682 PolarHBondContact O-ND2 3.5Å; A679-N682 PolarHBondContact O-N 3.45Å; N682-A684 VanDerWaalsContact C-N 3.34Å; N682-F685 PolarHBondContact O-N 3.04Å; N682-Q686 WeakPolarHBondContact O-CG 3.17Å; N682-Q686 PolarHBondContact O-N 3.42Å |
| 683 | M | 86.6 | Confident | 87.6 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -40.8 | 173.7 | -161.2 | 95.6 | 169.5 | 0 | 0 | 111.5 | A679 L680 K681 Q686 L687 | A679-M683 WeakPolarHBondContact O-CB 3.25Å; A679-M683 PolarHBondContact O-N 2.87Å; L680-M683 WeakPolarHBondContact O-CB 3.29Å; L680-M683 PolarHBondContact O-N 3.32Å; K681-M683 VanDerWaalsContact C-N 3.32Å; K681-M683 PolarHBondContact O-N 2.86Å; M683-Q686 PolarHBondContact O-N 2.9Å; M683-L687 PolarHBondContact O-N 3.31Å |
| 684 | A | 85.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 103.3 Ų | 103.3 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L680 K681 N682 Q686 L687 E688 | L680-A684 PolarHBondContact O-N 3.42Å; K681-A684 WeakPolarHBondContact O-CB 3.18Å; K681-A684 PolarHBondContact O-N 3.31Å; N682-A684 VanDerWaalsContact C-N 3.34Å; A684-Q686 VanDerWaalsContact C-N 3.35Å; A684-Q686 PolarHBondContact O-N 3.12Å; A684-L687 PolarHBondContact O-N 3.29Å; A684-E688 PolarHBondContact O-N 3.42Å |
| 685 | F | 87.8 | Confident | 87.4 | Confident | 136 Ų | 136 | 98.3 Ų | 98.3 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 173.8 | -78.4 | -63.1 | 0 | 0 | 0 | 112.8 | K681 N682 E688 A689 | K681-F685 WeakPolarHBondContact O-CD2 3.48Å; K681-F685 PolarHBondContact O-N 2.91Å; N682-F685 PolarHBondContact O-N 3.04Å; F685-E688 PolarHBondContact O-N 2.87Å; F685-A689 WeakPolarHBondContact O-CB 3.41Å; F685-A689 PolarHBondContact O-N 3.42Å |
| 686 | Q | 85.5 | Confident | 87.1 | Confident | 125 Ų | 125 | 96.6 Ų | 96.6 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -40 | 174.8 | -74.8 | 177.5 | -9.1 | 0 | 0 | 111.8 | N682 M683 A684 A689 L690 | N682-Q686 WeakPolarHBondContact O-CG 3.17Å; N682-Q686 PolarHBondContact O-N 3.42Å; M683-Q686 PolarHBondContact O-N 2.9Å; A684-Q686 VanDerWaalsContact C-N 3.35Å; A684-Q686 PolarHBondContact O-N 3.12Å; Q686-A689 PolarHBondContact O-N 3.08Å; Q686-L690 WeakPolarHBondContact O-CG 3.43Å; Q686-L690 PolarHBondContact O-N 3.42Å |
| 687 | L | 85.1 | Confident | 86.8 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 173.7 | -81.2 | 165.5 | 0 | 0 | 0 | 111.7 | M683 A684 A689 L690 E691 | M683-L687 PolarHBondContact O-N 3.31Å; A684-L687 PolarHBondContact O-N 3.29Å; L687-A689 VanDerWaalsContact C-N 3.29Å; L687-A689 PolarHBondContact O-N 3.01Å; L687-L690 PolarHBondContact O-N 2.92Å; L687-E691 WeakPolarHBondContact O-CG 3.3Å; L687-E691 PolarHBondContact O-N 3.07Å |
| 688 | E | 88.2 | Confident | 86.8 | Confident | 84 Ų | 84 | 97.4 Ų | 97.4 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 177.6 | -163.9 | -166.6 | 151.7 | 0 | 0 | 112 | A684 F685 K692 | A684-E688 PolarHBondContact O-N 3.42Å; F685-E688 PolarHBondContact O-N 2.87Å; E688-K692 WeakPolarHBondContact O-CG 3.41Å; E688-K692 PolarHBondContact O-N 2.83Å; E688-K692 WeakPolarHBondContact OE1-CE 3.48Å; E688-K692 IonicContact OE1-NZ 3.08Å; E688-K692 PolarHBondContact OE1-NZ 2.75Å |
| 689 | A | 87.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F685 Q686 L687 K692 E693 | F685-A689 WeakPolarHBondContact O-CB 3.41Å; F685-A689 PolarHBondContact O-N 3.42Å; Q686-A689 PolarHBondContact O-N 3.08Å; L687-A689 VanDerWaalsContact C-N 3.29Å; L687-A689 PolarHBondContact O-N 3.01Å; A689-K692 PolarHBondContact O-N 3.09Å; A689-E693 PolarHBondContact O-N 3.45Å |
| 690 | L | 85.4 | Confident | 86.4 | Confident | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 176.1 | -72.9 | 170.7 | 0 | 0 | 0 | 112.3 | Q686 L687 K692 E693 N694 | Q686-L690 WeakPolarHBondContact O-CG 3.43Å; Q686-L690 PolarHBondContact O-N 3.42Å; L687-L690 PolarHBondContact O-N 2.92Å; L690-K692 VanDerWaalsContact C-N 3.34Å; L690-E693 PolarHBondContact O-N 3.31Å; L690-N694 VanDerWaalsContact O-CB 3.31Å; L690-N694 WeakPolarHBondContact O-CB 3.4Å; L690-N694 PolarHBondContact O-N 3.21Å |
| 691 | E | 86.6 | Confident | 86.2 | Confident | 137 Ų | 137 | 100.8 Ų | 100.8 | 64% | 0.64 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 173.8 | -76 | 175.4 | 171.9 | 0 | 0 | 111.5 | L687 N694 G695 | L687-E691 WeakPolarHBondContact O-CG 3.3Å; L687-E691 PolarHBondContact O-N 3.07Å; E691-N694 PolarHBondContact O-N 3.25Å; E691-G695 PolarHBondContact O-N 2.91Å |
| 692 | K | 90.1 | Very high | 86.1 | Confident | 122 Ų | 122 | 99.9 Ų | 99.9 | 53% | 0.53 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 173.9 | -76.7 | 175 | -173.4 | 159.9 | 0 | 112.2 | E688 A689 L690 G695 Q696 | E688-K692 WeakPolarHBondContact O-CG 3.41Å; E688-K692 PolarHBondContact O-N 2.83Å; E688-K692 WeakPolarHBondContact OE1-CE 3.48Å; E688-K692 IonicContact OE1-NZ 3.08Å; E688-K692 PolarHBondContact OE1-NZ 2.75Å; A689-K692 PolarHBondContact O-N 3.09Å; L690-K692 VanDerWaalsContact C-N 3.34Å; K692-G695 PolarHBondContact O-N 3.44Å; K692-Q696 WeakPolarHBondContact O-CG 3.45Å; K692-Q696 PolarHBondContact O-N 3.24Å |
| 693 | E | 87.1 | Confident | 85.9 | Confident | 108 Ų | 108 | 100 Ų | 100 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 176.1 | -171.2 | 178 | 177.9 | 0 | 0 | 111 | A689 L690 G695 Q696 L697 | A689-E693 PolarHBondContact O-N 3.45Å; L690-E693 PolarHBondContact O-N 3.31Å; E693-G695 PolarHBondContact O-N 2.91Å; E693-Q696 WeakPolarHBondContact O-CB 3.24Å; E693-Q696 PolarHBondContact O-N 3.37Å; E693-Q696 VanDerWaalsContact O-N 3.17Å; E693-L697 HydrophobicContact CG-CD1 4.39Å; E693-L697 WeakPolarHBondContact O-CG 3.44Å; E693-L697 PolarHBondContact O-N 2.94Å |
| 694 | N | 81.9 | Confident | 85.6 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.8 | -168.1 | 56.5 | 0 | 0 | 0 | 111.7 | L690 E691 Q696 L697 E698 | L690-N694 VanDerWaalsContact O-CB 3.31Å; L690-N694 WeakPolarHBondContact O-CB 3.4Å; L690-N694 PolarHBondContact O-N 3.21Å; E691-N694 PolarHBondContact O-N 3.25Å; N694-Q696 VanDerWaalsContact C-N 3.34Å; N694-Q696 PolarHBondContact O-N 2.88Å; N694-L697 PolarHBondContact O-N 3.27Å; N694-E698 PolarHBondContact ND2-OE1 3.49Å; N694-E698 WeakPolarHBondContact O-CG 3.42Å; N694-E698 PolarHBondContact O-N 3.44Å |
| 695 | G | 88.3 | Confident | 85.4 | Confident | 33 Ų | 33 | 105.1 Ų | 105.1 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E691 K692 E693 E698 Q699 | E691-G695 PolarHBondContact O-N 2.91Å; K692-G695 PolarHBondContact O-N 3.44Å; E693-G695 PolarHBondContact O-N 2.91Å; G695-E698 PolarHBondContact O-N 3.03Å; G695-Q699 WeakPolarHBondContact O-CB 3.23Å; G695-Q699 PolarHBondContact O-N 3.12Å |
| 696 | Q | 85.4 | Confident | 85.1 | Confident | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 173.8 | -74.1 | 173.6 | 2.5 | 0 | 0 | 111.6 | K692 E693 N694 E698 Q699 E700 | K692-Q696 WeakPolarHBondContact O-CG 3.45Å; K692-Q696 PolarHBondContact O-N 3.24Å; E693-Q696 WeakPolarHBondContact O-CB 3.24Å; E693-Q696 PolarHBondContact O-N 3.37Å; E693-Q696 VanDerWaalsContact O-N 3.17Å; N694-Q696 VanDerWaalsContact C-N 3.34Å; N694-Q696 PolarHBondContact O-N 2.88Å; Q696-E698 VanDerWaalsContact C-N 3.31Å; Q696-E698 PolarHBondContact O-N 3.3Å; Q696-Q699 PolarHBondContact O-N 2.86Å; Q696-Q699 VanDerWaalsContact O-N 3.15Å; Q696-E700 WeakPolarHBondContact O-CG 3.4Å; Q696-E700 PolarHBondContact O-N 2.86Å |
| 697 | L | 83.8 | Confident | 84.8 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -34 | 176.5 | -71.4 | 172.5 | 0 | 0 | 0 | 112.6 | E693 N694 N701 | E693-L697 HydrophobicContact CG-CD1 4.39Å; E693-L697 WeakPolarHBondContact O-CG 3.44Å; E693-L697 PolarHBondContact O-N 2.94Å; N694-L697 PolarHBondContact O-N 3.27Å; L697-N701 VanDerWaalsContact O-CB 3.31Å; L697-N701 WeakPolarHBondContact O-CB 3.33Å; L697-N701 PolarHBondContact O-N 2.98Å; L697-N701 PolarHBondContact O-ND2 3.11Å; L697-N701 VanDerWaalsContact O-ND2 3.14Å |
| 698 | E | 85.7 | Confident | 84.4 | Confident | 126 Ų | 126 | 101.3 Ų | 101.3 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 171.8 | -78.4 | 178.6 | -173.4 | 0 | 0 | 111.5 | N694 G695 Q696 N701 L702 | N694-E698 PolarHBondContact ND2-OE1 3.49Å; N694-E698 WeakPolarHBondContact O-CG 3.42Å; N694-E698 PolarHBondContact O-N 3.44Å; G695-E698 PolarHBondContact O-N 3.03Å; Q696-E698 VanDerWaalsContact C-N 3.31Å; Q696-E698 PolarHBondContact O-N 3.3Å; E698-N701 WeakPolarHBondContact O-CB 3.36Å; E698-N701 PolarHBondContact O-N 2.98Å; E698-L702 PolarHBondContact O-N 3.5Å |
| 699 | Q | 86.7 | Confident | 83.8 | Confident | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.2 | -43.4 | 176.6 | -173.1 | 164.5 | -12.1 | 0 | 0 | 112 | G695 Q696 N701 L702 E703 | G695-Q699 WeakPolarHBondContact O-CB 3.23Å; G695-Q699 PolarHBondContact O-N 3.12Å; Q696-Q699 PolarHBondContact O-N 2.86Å; Q696-Q699 VanDerWaalsContact O-N 3.15Å; Q699-N701 VanDerWaalsContact C-N 3.33Å; Q699-N701 PolarHBondContact O-N 3.2Å; Q699-L702 WeakPolarHBondContact O-CB 3.42Å; Q699-L702 PolarHBondContact O-N 3.36Å; Q699-L702 VanDerWaalsContact O-N 3.11Å; Q699-E703 WeakPolarHBondContact O-CG 3.43Å; Q699-E703 PolarHBondContact O-N 3.42Å |
| 700 | E | 83.6 | Confident | 83.1 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 172.1 | -75.8 | -173.6 | 175.3 | 0 | 0 | 111.3 | Q696 L702 E703 L704 | Q696-E700 WeakPolarHBondContact O-CG 3.4Å; Q696-E700 PolarHBondContact O-N 2.86Å; E700-L702 VanDerWaalsContact C-N 3.29Å; E700-L702 PolarHBondContact O-N 3.42Å; E700-E703 PolarHBondContact O-N 2.88Å; E700-L704 VanDerWaalsContact O-CB 3.32Å; E700-L704 WeakPolarHBondContact O-CB 3.24Å; E700-L704 VanDerWaalsContact O-CG 3.28Å; E700-L704 WeakPolarHBondContact O-CG 3.39Å; E700-L704 PolarHBondContact O-N 3.1Å |
| 701 | N | 82.6 | Confident | 82.4 | Confident | 88 Ų | 88 | 104.4 Ų | 104.4 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 172.6 | -102.6 | -72.7 | 0 | 0 | 0 | 112.2 | L697 E698 Q699 R705 | L697-N701 VanDerWaalsContact O-CB 3.31Å; L697-N701 WeakPolarHBondContact O-CB 3.33Å; L697-N701 PolarHBondContact O-N 2.98Å; L697-N701 PolarHBondContact O-ND2 3.11Å; L697-N701 VanDerWaalsContact O-ND2 3.14Å; E698-N701 WeakPolarHBondContact O-CB 3.36Å; E698-N701 PolarHBondContact O-N 2.98Å; Q699-N701 VanDerWaalsContact C-N 3.33Å; Q699-N701 PolarHBondContact O-N 3.2Å; N701-R705 WeakPolarHBondContact O-CB 3.41Å; N701-R705 VanDerWaalsContact O-CG 3.26Å; N701-R705 WeakPolarHBondContact O-CG 3.35Å; N701-R705 PolarHBondContact O-N 2.86Å |
| 702 | L | 85.8 | Confident | 81.8 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 176.8 | -163.4 | 79.1 | 0 | 0 | 0 | 111.2 | E698 Q699 E700 R705 R706 | E698-L702 PolarHBondContact O-N 3.5Å; Q699-L702 WeakPolarHBondContact O-CB 3.42Å; Q699-L702 PolarHBondContact O-N 3.36Å; Q699-L702 VanDerWaalsContact O-N 3.11Å; E700-L702 VanDerWaalsContact C-N 3.29Å; E700-L702 PolarHBondContact O-N 3.42Å; L702-R705 PolarHBondContact O-N 3.06Å; L702-R706 WeakPolarHBondContact O-CG 3.3Å; L702-R706 PolarHBondContact O-N 3.45Å |
| 703 | E | 84.4 | Confident | 80.8 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 176.3 | -72.9 | -180 | -170.4 | 0 | 0 | 112.2 | Q699 E700 R705 R706 S707 | Q699-E703 WeakPolarHBondContact O-CG 3.43Å; Q699-E703 PolarHBondContact O-N 3.42Å; E700-E703 PolarHBondContact O-N 2.88Å; E703-R705 VanDerWaalsContact C-N 3.34Å; E703-R706 CarbonylContact O-C 3.52Å; E703-R706 WeakPolarHBondContact O-CB 3.5Å; E703-R706 PolarHBondContact O-N 3.35Å; E703-S707 WeakPolarHBondContact O-CB 3.37Å; E703-S707 PolarHBondContact O-N 2.94Å |
| 704 | L | 81.2 | Confident | 79.9 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 172.8 | -75 | 172.6 | 0 | 0 | 0 | 111.4 | E700 S707 T708 | E700-L704 VanDerWaalsContact O-CB 3.32Å; E700-L704 WeakPolarHBondContact O-CB 3.24Å; E700-L704 VanDerWaalsContact O-CG 3.28Å; E700-L704 WeakPolarHBondContact O-CG 3.39Å; E700-L704 PolarHBondContact O-N 3.1Å; L704-S707 WeakPolarHBondContact CA-OG 3.42Å; L704-S707 PolarHBondContact O-N 2.66Å; L704-S707 PolarHBondContact O-OG 2.62Å; L704-T708 PolarHBondContact O-N 3.02Å; L704-T708 PolarHBondContact O-OG1 3.1Å |
| 705 | R | 80.7 | Confident | 79.3 | Confident | 175 Ų | 175 | 98.3 Ų | 98.3 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 172.8 | -76.8 | 176.9 | -175.4 | -157.4 | 3.5 | 111.4 | N701 L702 E703 S707 T708 E709 | N701-R705 WeakPolarHBondContact O-CB 3.41Å; N701-R705 VanDerWaalsContact O-CG 3.26Å; N701-R705 WeakPolarHBondContact O-CG 3.35Å; N701-R705 PolarHBondContact O-N 2.86Å; L702-R705 PolarHBondContact O-N 3.06Å; E703-R705 VanDerWaalsContact C-N 3.34Å; R705-S707 VanDerWaalsContact C-N 3.32Å; R705-S707 PolarHBondContact O-N 3.06Å; R705-T708 WeakPolarHBondContact CA-OG1 3.27Å; R705-T708 PolarHBondContact O-N 3.41Å; R705-T708 PolarHBondContact O-OG1 3.34Å; R705-E709 PolarHBondContact O-N 3.41Å |
| 706 | R | 80.7 | Confident | 78.2 | Confident | 160 Ų | 160 | 100.2 Ų | 100.2 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 174.5 | -71.5 | 171.3 | -179.4 | 169.5 | 1.3 | 111.9 | L702 E703 E709 T710 | L702-R706 WeakPolarHBondContact O-CG 3.3Å; L702-R706 PolarHBondContact O-N 3.45Å; E703-R706 CarbonylContact O-C 3.52Å; E703-R706 WeakPolarHBondContact O-CB 3.5Å; E703-R706 PolarHBondContact O-N 3.35Å; R706-E709 WeakPolarHBondContact O-CB 3.45Å; R706-E709 PolarHBondContact O-N 2.93Å; R706-T710 PolarHBondContact O-N 2.85Å; R706-T710 PolarHBondContact O-OG1 2.83Å |
| 707 | S | 79.2 | Confident | 77.3 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 30% | 0.301 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.8 | -35.1 | 178.7 | 80.3 | 0 | 0 | 0 | 0 | 112.4 | E703 L704 R705 E709 T710 L711 | E703-S707 WeakPolarHBondContact O-CB 3.37Å; E703-S707 PolarHBondContact O-N 2.94Å; L704-S707 WeakPolarHBondContact CA-OG 3.42Å; L704-S707 PolarHBondContact O-N 2.66Å; L704-S707 PolarHBondContact O-OG 2.62Å; R705-S707 VanDerWaalsContact C-N 3.32Å; R705-S707 PolarHBondContact O-N 3.06Å; S707-E709 VanDerWaalsContact C-N 3.32Å; S707-E709 PolarHBondContact O-N 3.46Å; S707-T710 WeakPolarHBondContact CA-OG1 3.3Å; S707-T710 PolarHBondContact O-N 3.02Å; S707-T710 PolarHBondContact O-OG1 3.3Å; S707-L711 VanDerWaalsContact O-CB 3.32Å; S707-L711 WeakPolarHBondContact O-CB 3.36Å; S707-L711 VanDerWaalsContact O-CG 3.26Å; S707-L711 WeakPolarHBondContact O-CG 3.27Å; S707-L711 PolarHBondContact O-N 2.8Å |
| 708 | T | 77.4 | Confident | 76.2 | Confident | 76 Ų | 76 | 100 Ų | 100 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 169.6 | 39.6 | 0 | 0 | 0 | 0 | 112.5 | L704 R705 R712 | L704-T708 PolarHBondContact O-N 3.02Å; L704-T708 PolarHBondContact O-OG1 3.1Å; R705-T708 WeakPolarHBondContact CA-OG1 3.27Å; R705-T708 PolarHBondContact O-N 3.41Å; R705-T708 PolarHBondContact O-OG1 3.34Å; T708-R712 WeakPolarHBondContact O-CB 3.48Å; T708-R712 PolarHBondContact O-N 3.29Å |
| 709 | E | 75.1 | Confident | 75.2 | Confident | 108 Ų | 108 | 97.1 Ų | 97.1 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 174.4 | -152.3 | 72.8 | -157.3 | 0 | 0 | 110.8 | R705 R706 S707 R712 S713 | R705-E709 PolarHBondContact O-N 3.41Å; R706-E709 WeakPolarHBondContact O-CB 3.45Å; R706-E709 PolarHBondContact O-N 2.93Å; S707-E709 VanDerWaalsContact C-N 3.32Å; S707-E709 PolarHBondContact O-N 3.46Å; E709-R712 WeakPolarHBondContact O-CB 3.38Å; E709-R712 PolarHBondContact O-N 3.28Å; E709-R712 IonicContact OE1-CZ 3.66Å; E709-R712 IonicContact OE1-NH1 2.78Å; E709-R712 PolarHBondContact OE1-NH1 2.93Å; E709-R712 IonicContact OE1-NH2 3.9Å; E709-R712 IonicContact OE2-CZ 3.34Å; E709-R712 IonicContact OE2-NH1 3.15Å; E709-R712 PolarHBondContact OE2-NH1 3.41Å; E709-R712 VanDerWaalsContact OE2-NH1 3.15Å; E709-R712 IonicContact OE2-NH2 2.82Å; E709-R712 PolarHBondContact OE2-NH2 2.95Å; E709-S713 PolarHBondContact O-N 3.49Å |
| 710 | T | 74 | Confident | 74 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | R706 S707 R712 S713 A714 | R706-T710 PolarHBondContact O-N 2.85Å; R706-T710 PolarHBondContact O-OG1 2.83Å; S707-T710 WeakPolarHBondContact CA-OG1 3.3Å; S707-T710 PolarHBondContact O-N 3.02Å; S707-T710 PolarHBondContact O-OG1 3.3Å; T710-R712 VanDerWaalsContact C-N 3.29Å; T710-R712 PolarHBondContact O-N 3.07Å; T710-S713 CarbonylContact O-C 3.55Å; T710-S713 WeakPolarHBondContact O-CA 3.31Å; T710-S713 WeakPolarHBondContact O-CB 3.41Å; T710-S713 PolarHBondContact O-N 3.49Å; T710-S713 VanDerWaalsContact O-N 3.09Å; T710-S713 PolarHBondContact O-OG 3.19Å; T710-A714 PolarHBondContact O-N 3.18Å |
| 711 | L | 70.4 | Confident | 72.9 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -32.8 | 173.6 | -74.9 | 169.6 | 0 | 0 | 0 | 112.1 | S707 S713 A714 G715 | S707-L711 VanDerWaalsContact O-CB 3.32Å; S707-L711 WeakPolarHBondContact O-CB 3.36Å; S707-L711 VanDerWaalsContact O-CG 3.26Å; S707-L711 WeakPolarHBondContact O-CG 3.27Å; S707-L711 PolarHBondContact O-N 2.8Å; L711-S713 VanDerWaalsContact C-N 3.32Å; L711-A714 PolarHBondContact O-N 3.42Å; L711-G715 PolarHBondContact O-N 3.03Å |
| 712 | R | 74.3 | Confident | 72 | Confident | 157 Ų | 157 | 101.1 Ų | 101.1 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 170.8 | -155.6 | -174.8 | -55.6 | 138.3 | 13.4 | 111.4 | T708 E709 T710 A716 | T708-R712 WeakPolarHBondContact O-CB 3.48Å; T708-R712 PolarHBondContact O-N 3.29Å; E709-R712 WeakPolarHBondContact O-CB 3.38Å; E709-R712 PolarHBondContact O-N 3.28Å; E709-R712 IonicContact OE1-CZ 3.66Å; E709-R712 IonicContact OE1-NH1 2.78Å; E709-R712 PolarHBondContact OE1-NH1 2.93Å; E709-R712 IonicContact OE1-NH2 3.9Å; E709-R712 IonicContact OE2-CZ 3.34Å; E709-R712 IonicContact OE2-NH1 3.15Å; E709-R712 PolarHBondContact OE2-NH1 3.41Å; E709-R712 VanDerWaalsContact OE2-NH1 3.15Å; E709-R712 IonicContact OE2-NH2 2.82Å; E709-R712 PolarHBondContact OE2-NH2 2.95Å; T710-R712 VanDerWaalsContact C-N 3.29Å; T710-R712 PolarHBondContact O-N 3.07Å; R712-A716 PolarHBondContact O-N 3.35Å |
| 713 | S | 69.4 | Low | 71.1 | Confident | 78 Ų | 78 | 101.9 Ų | 101.9 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.7 | -31.9 | 174 | 80.6 | 0 | 0 | 0 | 0 | 113.4 | E709 T710 L711 | E709-S713 PolarHBondContact O-N 3.49Å; T710-S713 CarbonylContact O-C 3.55Å; T710-S713 WeakPolarHBondContact O-CA 3.31Å; T710-S713 WeakPolarHBondContact O-CB 3.41Å; T710-S713 PolarHBondContact O-N 3.49Å; T710-S713 VanDerWaalsContact O-N 3.09Å; T710-S713 PolarHBondContact O-OG 3.19Å; L711-S713 VanDerWaalsContact C-N 3.32Å |
| 714 | A | 66.8 | Low | 70 | Confident | 47 Ų | 47 | 102.9 Ų | 102.9 | 39% | 0.388 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.5 | -34.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T710 L711 A716 K717 A718 | T710-A714 PolarHBondContact O-N 3.18Å; L711-A714 PolarHBondContact O-N 3.42Å; A714-A716 VanDerWaalsContact C-N 3.26Å; A714-A716 PolarHBondContact O-N 2.94Å; A714-K717 CarbonylContact O-C 3.59Å; A714-K717 WeakPolarHBondContact O-CA 3.38Å; A714-K717 WeakPolarHBondContact O-CB 3.47Å; A714-K717 PolarHBondContact O-N 2.8Å; A714-A718 PolarHBondContact O-N 2.91Å |
| 715 | G | 70.6 | Confident | 68.8 | Low | 46 Ų | 46 | 103 Ų | 103 | 47% | 0.474 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -35.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L711 K717 A718 A719 | L711-G715 PolarHBondContact O-N 3.03Å; G715-K717 VanDerWaalsContact C-N 3.28Å; G715-K717 PolarHBondContact O-N 3.23Å; G715-A718 PolarHBondContact O-N 2.9Å; G715-A719 PolarHBondContact O-N 3.39Å |
| 716 | A | 64.5 | Low | 68.3 | Low | 72 Ų | 72 | 104 Ų | 104 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -29.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | R712 A714 | R712-A716 PolarHBondContact O-N 3.35Å; A714-A716 VanDerWaalsContact C-N 3.26Å; A714-A716 PolarHBondContact O-N 2.94Å |
| 717 | K | 66 | Low | 67.4 | Low | 151 Ų | 151 | 103.3 Ų | 103.3 | 66% | 0.657 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81 | -33.1 | 173.7 | -95.6 | 178.9 | 174.4 | 178.2 | 0 | 113.5 | A714 G715 A719 Q720 L721 | A714-K717 CarbonylContact O-C 3.59Å; A714-K717 WeakPolarHBondContact O-CA 3.38Å; A714-K717 WeakPolarHBondContact O-CB 3.47Å; A714-K717 PolarHBondContact O-N 2.8Å; G715-K717 VanDerWaalsContact C-N 3.28Å; G715-K717 PolarHBondContact O-N 3.23Å; K717-A719 VanDerWaalsContact C-N 3.34Å; K717-A719 PolarHBondContact O-N 2.98Å; K717-Q720 WeakPolarHBondContact O-CA 3.31Å; K717-Q720 VanDerWaalsContact O-CB 3.24Å; K717-Q720 WeakPolarHBondContact O-CB 3.33Å; K717-Q720 PolarHBondContact O-N 2.88Å; K717-L721 PolarHBondContact O-N 3.45Å |
| 718 | A | 60.7 | Low | 66.3 | Low | 52 Ų | 52 | 106.4 Ų | 106.4 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -35.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A714 G715 Q720 L721 E722 | A714-A718 PolarHBondContact O-N 2.91Å; G715-A718 PolarHBondContact O-N 2.9Å; A718-Q720 PolarHBondContact O-N 3.32Å; A718-Q720 VanDerWaalsContact O-N 3.14Å; A718-L721 PolarHBondContact O-N 2.94Å; A718-L721 VanDerWaalsContact O-N 3.08Å; A718-E722 PolarHBondContact O-N 2.85Å |
| 719 | A | 65.8 | Low | 65.5 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.8 | -21.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G715 K717 | G715-A719 PolarHBondContact O-N 3.39Å; K717-A719 VanDerWaalsContact C-N 3.34Å; K717-A719 PolarHBondContact O-N 2.98Å |
| 720 | Q | 60.7 | Low | 64.9 | Low | 151 Ų | 151 | 108.7 Ų | 108.7 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -86.5 | -22.7 | 178.2 | -159.4 | 155.8 | 0.9 | 0 | 0 | 112.8 | K717 A718 | K717-Q720 WeakPolarHBondContact O-CA 3.31Å; K717-Q720 VanDerWaalsContact O-CB 3.24Å; K717-Q720 WeakPolarHBondContact O-CB 3.33Å; K717-Q720 PolarHBondContact O-N 2.88Å; A718-Q720 PolarHBondContact O-N 3.32Å; A718-Q720 VanDerWaalsContact O-N 3.14Å |
| 721 | L | 60.8 | Low | 64.1 | Low | 101 Ų | 101 | 111.2 Ų | 111.2 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -90.1 | -21.3 | 178.7 | -68 | 172.9 | 0 | 0 | 0 | 113.8 | K717 A718 V723 E724 N725 | K717-L721 PolarHBondContact O-N 3.45Å; A718-L721 PolarHBondContact O-N 2.94Å; A718-L721 VanDerWaalsContact O-N 3.08Å; L721-V723 PolarHBondContact O-N 2.85Å; L721-V723 VanDerWaalsContact O-N 3.17Å; L721-E724 WeakPolarHBondContact CD2-OE2 3.12Å; L721-E724 WeakPolarHBondContact O-CB 3.27Å; L721-E724 PolarHBondContact O-N 3.35Å; L721-N725 PolarHBondContact O-N 3.15Å |
| 722 | E | 64.4 | Low | 63.7 | Low | 147 Ų | 147 | 115.6 Ų | 115.6 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -17.2 | 171.5 | -79.9 | -173 | 157 | 0 | 0 | 113.5 | A718 | A718-E722 PolarHBondContact O-N 2.85Š|
| 723 | V | 66.8 | Low | 62.9 | Low | 103 Ų | 103 | 114.2 Ų | 114.2 | 62% | 0.624 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -34.9 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | L721 | L721-V723 PolarHBondContact O-N 2.85Å; L721-V723 VanDerWaalsContact O-N 3.17Å |
| 724 | E | 60.4 | Low | 62.1 | Low | 121 Ų | 121 | 118.6 Ų | 118.6 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -31.7 | -176.5 | -128.6 | 172.8 | -175.5 | 0 | 0 | 112.5 | L721 R726 E727 | L721-E724 WeakPolarHBondContact CD2-OE2 3.12Å; L721-E724 WeakPolarHBondContact O-CB 3.27Å; L721-E724 PolarHBondContact O-N 3.35Å; E724-R726 PolarHBondContact O-N 3.38Å; E724-E727 PolarHBondContact O-N 3.17Å; E724-E727 VanDerWaalsContact O-N 3.12Å |
| 725 | N | 56.8 | Low | 61.3 | Low | 110 Ų | 110 | 123.9 Ų | 123.9 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.8 | -12.7 | -175.8 | -153.9 | 13.9 | 0 | 0 | 0 | 114.6 | L721 E727 | L721-N725 PolarHBondContact O-N 3.15Å; N725-E727 PolarHBondContact O-N 3.08Å |
| 726 | R | 69 | Low | 60 | Low | 195 Ų | 195 | 131.5 Ų | 131.5 | 74% | 0.736 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.7 | -15.7 | 171.3 | -75.7 | -171.3 | -178.6 | 90 | -0.1 | 113 | E724 | E724-R726 PolarHBondContact O-N 3.38Å |
| 727 | E | 62 | Low | 59.3 | Low | 146 Ų | 146 | 139.8 Ų | 139.8 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -90 | -25.3 | -173.9 | -61.6 | -176.2 | 158.5 | 0 | 0 | 113 | E724 N725 S730 | E724-E727 PolarHBondContact O-N 3.17Å; E724-E727 VanDerWaalsContact O-N 3.12Å; N725-E727 PolarHBondContact O-N 3.08Å; E727-S730 PolarHBondContact O-OG 3.37Å |
| 728 | L | 56.9 | Low | 58.2 | Low | 108 Ų | 108 | 138.1 Ų | 138.1 | 57% | 0.565 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -86.4 | -15.1 | -175.4 | -69.1 | 172.7 | 0 | 0 | 0 | 115.4 | S730 E731 | L728-S730 PolarHBondContact O-N 3.34Å; L728-S730 VanDerWaalsContact O-N 3.14Å; L728-E731 PolarHBondContact O-N 3.44Å |
| 729 | E | 60.5 | Low | 57.2 | Low | 145 Ų | 145 | 143.8 Ų | 143.8 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -14.8 | 175.9 | -80.3 | -172.4 | 140.6 | 0 | 0 | 113.6 | ||
| 730 | S | 62.4 | Low | 56.3 | Low | 87 Ų | 87 | 150.1 Ų | 150.1 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -20.5 | 179.3 | 76.1 | 0 | 0 | 0 | 0 | 114.5 | E727 L728 T733 | E727-S730 PolarHBondContact O-OG 3.37Å; L728-S730 PolarHBondContact O-N 3.34Å; L728-S730 VanDerWaalsContact O-N 3.14Å; S730-T733 PolarHBondContact O-OG1 2.84Å |
| 731 | E | 57.7 | Low | 55.4 | Low | 137 Ų | 137 | 150.8 Ų | 150.8 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -19.6 | -173.6 | -66.2 | -173 | 160 | 0 | 0 | 114.1 | L728 T733 | L728-E731 PolarHBondContact O-N 3.44Å; E731-T733 PolarHBondContact O-N 3.44Å; E731-T733 VanDerWaalsContact O-N 3.17Å |
| 732 | R | 61.7 | Low | 54.5 | Low | 208 Ų | 208 | 154.5 Ų | 154.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -66.6 | -18.7 | -176.2 | -166.5 | -179.5 | 69.3 | 178.6 | -3 | 114.2 | Q734 | R732-Q734 PolarHBondContact O-N 2.93Š|
| 733 | T | 58 | Low | 53.5 | Low | 127 Ų | 127 | 157.8 Ų | 157.8 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -73 | -5.8 | -173.8 | 37.9 | 0 | 0 | 0 | 0 | 115.3 | S730 E731 | S730-T733 PolarHBondContact O-OG1 2.84Å; E731-T733 PolarHBondContact O-N 3.44Å; E731-T733 VanDerWaalsContact O-N 3.17Å |
| 734 | Q | 52.3 | Low | 52.5 | Low | 171 Ų | 171 | 157.8 Ų | 157.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -98.3 | -14.2 | -167.4 | -149.2 | 167.3 | -6.9 | 0 | 0 | 116.1 | R732 | R732-Q734 PolarHBondContact O-N 2.93Š|
| 735 | L | 48.5 | Very low | 51.8 | Low | 157 Ų | 157 | 157.8 Ų | 157.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -101.3 | 9.8 | -168.7 | -75.4 | 167 | 0 | 0 | 0 | 116.8 | R737 | L735-R737 PolarHBondContact O-N 3.39Š|
| 736 | K | 43.5 | Very low | 51.2 | Low | 206 Ų | 206 | 158.1 Ų | 158.1 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -90.6 | 11.7 | -170.5 | -131.7 | 176.5 | -175 | -180 | 0 | 116.5 | ||||
| 737 | R | 49.9 | Very low | 50.4 | Low | 247 Ų | 247 | 158.9 Ų | 158.9 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -111.3 | 5.1 | -164.5 | -78.8 | -175.9 | -173.5 | 145.1 | 2.7 | 118.4 | L735 | L735-R737 PolarHBondContact O-N 3.39Š|
| 738 | S | 42.4 | Very low | 49.8 | Very low | 115 Ų | 115 | 160.7 Ų | 160.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -121.8 | 23.9 | -164.3 | 48.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 739 | L | 40.8 | Very low | 49.3 | Very low | 172 Ų | 172 | 160.7 Ų | 160.7 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -115.1 | 9.1 | -169.8 | -151.9 | 124.5 | 0 | 0 | 0 | 117.9 | ||||
| 740 | E | 45.8 | Very low | 48.8 | Very low | 199 Ų | 199 | 162.5 Ų | 162.5 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -103.7 | 10.2 | -163.7 | -84.7 | -176.2 | 163.5 | 0 | 0 | 119.8 | ||||
| 741 | L | 43.3 | Very low | 48.4 | Very low | 165 Ų | 165 | 169.3 Ų | 169.3 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | -119.3 | 25.1 | -160.9 | -112.6 | 160.4 | 0 | 0 | 0 | 120.7 | ||||
| 742 | L | 40.8 | Very low | 48.3 | Very low | 178 Ų | 178 | 168.3 Ų | 168.3 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | trans | -138.8 | 64.6 | -179.3 | -113.8 | 107.9 | 0 | 0 | 0 | 116.3 | ||||
| 743 | K | 43.2 | Very low | 48.2 | Very low | 216 Ų | 216 | 165.7 Ų | 165.7 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | -128 | 29 | -176.5 | -106.4 | -174.2 | -177.6 | 179.9 | 0 | 117.5 | ||||
| 744 | A | 46.7 | Very low | 48.2 | Very low | 103 Ų | 103 | 165.7 Ų | 165.7 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -143.7 | 65.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 745 | S | 45.2 | Very low | 48.6 | Very low | 122 Ų | 122 | 161 Ų | 161 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -142.9 | 29 | 168.4 | 79.1 | 0 | 0 | 0 | 0 | 118.3 | K747 | S745-K747 VanDerWaalsContact C-N 3.3Å; S745-K747 PolarHBondContact O-N 2.84Å | ||
| 746 | S | 45.3 | Very low | 49 | Very low | 116 Ų | 116 | 162.1 Ų | 162.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -71.7 | 36.8 | -177.3 | -177.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 747 | K | 52.1 | Low | 49.7 | Very low | 211 Ų | 211 | 160 Ų | 160 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -138 | 64.6 | -176 | -73.9 | -170.9 | 175 | -176 | 0 | 115.6 | S745 | S745-K747 VanDerWaalsContact C-N 3.3Å; S745-K747 PolarHBondContact O-N 2.84Å | ||
| 748 | K | 48.5 | Very low | 50.6 | Low | 185 Ų | 185 | 150.6 Ų | 150.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -130 | -6.1 | 171.3 | -161.1 | 176.1 | 178.4 | -176.4 | 0 | 114 | E750 | K748-E750 PolarHBondContact O-N 3.01Š| ||
| 749 | T | 47 | Very low | 51.6 | Low | 108 Ų | 108 | 150 Ų | 150 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -76.3 | -24.1 | -165 | -32.9 | 0 | 0 | 0 | 0 | 114.2 | R751 | T749-R751 VanDerWaalsContact C-N 3.3Å; T749-R751 PolarHBondContact O-N 3.2Å |
| 750 | E | 49.9 | Very low | 53 | Low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -79.4 | -0.1 | -173.3 | -72.5 | 171.1 | 168.2 | 0 | 0 | 115 | K748 | K748-E750 PolarHBondContact O-N 3.01Š|
| 751 | R | 53.8 | Low | 54.2 | Low | 230 Ų | 230 | 140.9 Ų | 140.9 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -94.4 | -3.4 | 177.2 | -68.5 | -174.7 | -172.3 | 175.9 | 2.6 | 114.5 | T749 | T749-R751 VanDerWaalsContact C-N 3.3Å; T749-R751 PolarHBondContact O-N 3.2Å |
| 752 | L | 56.1 | Low | 55.7 | Low | 116 Ų | 116 | 137.9 Ų | 137.9 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -91.5 | -18 | -172.7 | -72.4 | 165.8 | 0 | 0 | 0 | 114.3 | V754 S755 | L752-V754 PolarHBondContact O-N 3.48Å; L752-S755 PolarHBondContact O-N 3.23Å |
| 753 | E | 58.1 | Low | 57.2 | Low | 153 Ų | 153 | 133.6 Ų | 133.6 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -71.9 | -28.9 | -174.8 | -75 | -179.8 | 155 | 0 | 0 | 113.9 | Y756 | E753-Y756 VanDerWaalsContact O-CB 3.27Å; E753-Y756 WeakPolarHBondContact O-CB 3.26Å; E753-Y756 PolarHBondContact O-N 3.43Å |
| 754 | V | 58.4 | Low | 58.7 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79.9 | -22 | -179.9 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | L752 Y756 | L752-V754 PolarHBondContact O-N 3.48Å; V754-Y756 PolarHBondContact O-N 3.4Å |
| 755 | S | 61.4 | Low | 60.2 | Low | 73 Ų | 73 | 133.4 Ų | 133.4 | 51% | 0.51 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -70.8 | -18.3 | 170.4 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | L752 L759 | L752-S755 PolarHBondContact O-N 3.23Å; S755-L759 WeakPolarHBondContact O-CD1 3.4Å; S755-L759 WeakPolarHBondContact O-CG 3.44Å |
| 756 | Y | 56.1 | Low | 61.6 | Low | 180 Ų | 180 | 132.3 Ų | 132.3 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.2 | -31.4 | -171.7 | -130.8 | -89.6 | 0 | 0 | 0 | 113 | E753 V754 D760 | E753-Y756 VanDerWaalsContact O-CB 3.27Å; E753-Y756 WeakPolarHBondContact O-CB 3.26Å; E753-Y756 PolarHBondContact O-N 3.43Å; V754-Y756 PolarHBondContact O-N 3.4Å; Y756-D760 PolarHBondContact O-N 3.22Å |
| 757 | Q | 58 | Low | 63.1 | Low | 161 Ų | 161 | 131.9 Ų | 131.9 | 75% | 0.752 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.3 | -31.4 | -177.8 | -72.9 | 179.1 | -9.7 | 0 | 0 | 113.6 | ||
| 758 | G | 68.9 | Low | 64.3 | Low | 50 Ų | 50 | 129 Ų | 129 | 52% | 0.515 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.5 | -28.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T761 | G758-T761 PolarHBondContact O-OG1 3.27Å |
| 759 | L | 63.8 | Low | 65.7 | Low | 102 Ų | 102 | 122.8 Ų | 122.8 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.7 | -34.4 | 173.8 | -80.7 | 164.2 | 0 | 0 | 0 | 112.1 | S755 T761 E762 N763 | S755-L759 WeakPolarHBondContact O-CD1 3.4Å; S755-L759 WeakPolarHBondContact O-CG 3.44Å; L759-T761 PolarHBondContact O-N 3.21Å; L759-E762 PolarHBondContact O-N 3.42Å; L759-N763 WeakPolarHBondContact O-CB 3.47Å; L759-N763 PolarHBondContact O-N 3.04Å |
| 760 | D | 69.7 | Low | 67.2 | Low | 85 Ų | 85 | 123 Ų | 123 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | -176.8 | -166 | 59.5 | 0 | 0 | 0 | 113.1 | Y756 N763 Q764 | Y756-D760 PolarHBondContact O-N 3.22Å; D760-N763 WeakPolarHBondContact O-CB 3.29Å; D760-N763 PolarHBondContact O-N 3.44Å; D760-Q764 PolarHBondContact O-N 3.16Å; D760-Q764 VanDerWaalsContact O-N 3.1Å; D760-Q764 PolarHBondContact OD2-NE2 3.25Å |
| 761 | T | 72.1 | Confident | 68.6 | Low | 95 Ų | 95 | 119.3 Ų | 119.3 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71 | -32.6 | 178 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | G758 L759 | G758-T761 PolarHBondContact O-OG1 3.27Å; L759-T761 PolarHBondContact O-N 3.21Å |
| 762 | E | 74 | Confident | 70 | Confident | 101 Ų | 101 | 113.4 Ų | 113.4 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.5 | -35.8 | 172.6 | -166.7 | 65.3 | -165.6 | 0 | 0 | 110.3 | L759 Q764 R765 L766 | L759-E762 PolarHBondContact O-N 3.42Å; E762-Q764 PolarHBondContact O-N 3.05Å; E762-R765 PolarHBondContact O-N 3.07Å; E762-L766 HydrophobicContact CG-CD1 4.12Å; E762-L766 WeakPolarHBondContact O-CB 3.31Å; E762-L766 WeakPolarHBondContact O-CG 3.47Å; E762-L766 PolarHBondContact O-N 3Å |
| 763 | N | 71.8 | Confident | 71.1 | Confident | 88 Ų | 88 | 110.3 Ų | 110.3 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.1 | -45.2 | 176.1 | -128.9 | -13.2 | 0 | 0 | 0 | 111.9 | L759 D760 R765 L766 Q767 | L759-N763 WeakPolarHBondContact O-CB 3.47Å; L759-N763 PolarHBondContact O-N 3.04Å; D760-N763 WeakPolarHBondContact O-CB 3.29Å; D760-N763 PolarHBondContact O-N 3.44Å; N763-R765 VanDerWaalsContact C-N 3.27Å; N763-R765 PolarHBondContact O-N 2.84Å; N763-L766 PolarHBondContact O-N 3Å; N763-Q767 WeakPolarHBondContact O-CB 3.44Å; N763-Q767 PolarHBondContact O-N 3.39Å |
| 764 | Q | 75.3 | Confident | 72.2 | Confident | 124 Ų | 124 | 105.4 Ų | 105.4 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.3 | -31.5 | 178.4 | -68.8 | 178.2 | 19 | 0 | 0 | 112.9 | D760 E762 K768 | D760-Q764 PolarHBondContact O-N 3.16Å; D760-Q764 VanDerWaalsContact O-N 3.1Å; D760-Q764 PolarHBondContact OD2-NE2 3.25Å; E762-Q764 PolarHBondContact O-N 3.05Å; Q764-K768 PolarHBondContact O-N 3.29Å |
| 765 | R | 79.6 | Confident | 73.4 | Confident | 192 Ų | 192 | 105.6 Ų | 105.6 | 73% | 0.725 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.2 | -42.3 | 176.8 | -141.6 | 179.7 | -167.3 | 157.7 | 3.2 | 111.3 | E762 N763 Q767 K768 A769 | E762-R765 PolarHBondContact O-N 3.07Å; N763-R765 VanDerWaalsContact C-N 3.27Å; N763-R765 PolarHBondContact O-N 2.84Å; R765-Q767 VanDerWaalsContact C-N 3.32Å; R765-K768 PolarHBondContact O-N 2.96Å; R765-A769 PolarHBondContact O-N 3.46Å; R765-A769 VanDerWaalsContact O-N 3.12Å |
| 766 | L | 74.4 | Confident | 74.5 | Confident | 99 Ų | 99 | 108.3 Ų | 108.3 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 172.4 | -70.8 | 171.3 | 0 | 0 | 0 | 111.7 | E762 N763 A769 L770 | E762-L766 HydrophobicContact CG-CD1 4.12Å; E762-L766 WeakPolarHBondContact O-CB 3.31Å; E762-L766 WeakPolarHBondContact O-CG 3.47Å; E762-L766 PolarHBondContact O-N 3Å; N763-L766 PolarHBondContact O-N 3Å; L766-A769 PolarHBondContact O-N 3.3Å; L766-L770 WeakPolarHBondContact O-CB 3.24Å; L766-L770 PolarHBondContact O-N 2.87Å |
| 767 | Q | 76 | Confident | 75.8 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.7 | -156 | 110 | 5.7 | 0 | 0 | 111.7 | N763 R765 L770 E771 | N763-Q767 WeakPolarHBondContact O-CB 3.44Å; N763-Q767 PolarHBondContact O-N 3.39Å; R765-Q767 VanDerWaalsContact C-N 3.32Å; Q767-L770 WeakPolarHBondContact O-CB 3.42Å; Q767-L770 PolarHBondContact O-N 3.08Å; Q767-E771 WeakPolarHBondContact O-CG 3.46Å; Q767-E771 PolarHBondContact O-N 3.13Å |
| 768 | K | 77.6 | Confident | 76.9 | Confident | 149 Ų | 149 | 101.7 Ų | 101.7 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -37.2 | 175 | -91.6 | -178.4 | 176.1 | 175.3 | 0 | 113.1 | Q764 R765 L770 N772 | Q764-K768 PolarHBondContact O-N 3.29Å; R765-K768 PolarHBondContact O-N 2.96Å; K768-L770 VanDerWaalsContact C-N 3.33Å; K768-N772 PolarHBondContact O-N 2.94Å; K768-N772 VanDerWaalsContact O-N 3.14Å; K768-N772 PolarHBondContact O-ND2 3.33Å |
| 769 | A | 78.7 | Confident | 77.6 | Confident | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R765 L766 N772 S773 | R765-A769 PolarHBondContact O-N 3.46Å; R765-A769 VanDerWaalsContact O-N 3.12Å; L766-A769 PolarHBondContact O-N 3.3Å; A769-N772 PolarHBondContact O-N 3.29Å; A769-S773 WeakPolarHBondContact O-CB 3.42Å; A769-S773 PolarHBondContact O-N 2.84Å; A769-S773 PolarHBondContact O-OG 3.36Å |
| 770 | L | 76.4 | Confident | 78.5 | Confident | 111 Ų | 111 | 104.8 Ų | 104.8 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 176.7 | -172 | 70.2 | 0 | 0 | 0 | 111.2 | L766 Q767 K768 N772 S773 S774 | L766-L770 WeakPolarHBondContact O-CB 3.24Å; L766-L770 PolarHBondContact O-N 2.87Å; Q767-L770 WeakPolarHBondContact O-CB 3.42Å; Q767-L770 PolarHBondContact O-N 3.08Å; K768-L770 VanDerWaalsContact C-N 3.33Å; L770-N772 VanDerWaalsContact C-N 3.34Å; L770-N772 PolarHBondContact O-N 2.99Å; L770-S773 WeakPolarHBondContact CA-OG 3.47Å; L770-S773 CarbonylContact O-C 3.59Å; L770-S773 PolarHBondContact O-N 3.49Å; L770-S773 PolarHBondContact O-OG 3.07Å; L770-S774 VanDerWaalsContact O-CB 3.26Å; L770-S774 WeakPolarHBondContact O-CB 3.41Å; L770-S774 PolarHBondContact O-N 3.09Å |
| 771 | E | 81.3 | Confident | 79.2 | Confident | 106 Ų | 106 | 106.1 Ų | 106.1 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.5 | -78 | 173.7 | -172.1 | 0 | 0 | 112.3 | Q767 S774 K775 | Q767-E771 WeakPolarHBondContact O-CG 3.46Å; Q767-E771 PolarHBondContact O-N 3.13Å; E771-S774 PolarHBondContact O-N 3.09Å; E771-K775 WeakPolarHBondContact O-CG 3.49Å; E771-K775 PolarHBondContact O-N 3.42Å |
| 772 | N | 82.2 | Confident | 79.8 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 175.7 | -74.5 | -20 | 0 | 0 | 0 | 112.2 | K768 A769 L770 S774 K776 | K768-N772 PolarHBondContact O-N 2.94Å; K768-N772 VanDerWaalsContact O-N 3.14Å; K768-N772 PolarHBondContact O-ND2 3.33Å; A769-N772 PolarHBondContact O-N 3.29Å; L770-N772 VanDerWaalsContact C-N 3.34Å; L770-N772 PolarHBondContact O-N 2.99Å; N772-S774 VanDerWaalsContact C-N 3.35Å; N772-K776 PolarHBondContact O-N 2.95Å; N772-K776 VanDerWaalsContact O-N 3.13Å |
| 773 | S | 79.6 | Confident | 80.3 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 174 | 73.3 | 0 | 0 | 0 | 0 | 112 | A769 L770 K776 I777 | A769-S773 WeakPolarHBondContact O-CB 3.42Å; A769-S773 PolarHBondContact O-N 2.84Å; A769-S773 PolarHBondContact O-OG 3.36Å; L770-S773 WeakPolarHBondContact CA-OG 3.47Å; L770-S773 CarbonylContact O-C 3.59Å; L770-S773 PolarHBondContact O-N 3.49Å; L770-S773 PolarHBondContact O-OG 3.07Å; S773-K776 WeakPolarHBondContact O-CB 3.31Å; S773-K776 PolarHBondContact O-N 3.24Å; S773-I777 WeakPolarHBondContact O-CB 3.47Å; S773-I777 VanDerWaalsContact O-CG1 3.23Å; S773-I777 WeakPolarHBondContact O-CG1 3.41Å; S773-I777 PolarHBondContact O-N 3.4Å |
| 774 | S | 81.3 | Confident | 80.9 | Confident | 50 Ų | 50 | 105.4 Ų | 105.4 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 177.6 | 178 | 0 | 0 | 0 | 0 | 111.4 | L770 E771 N772 K776 I777 Q778 | L770-S774 VanDerWaalsContact O-CB 3.26Å; L770-S774 WeakPolarHBondContact O-CB 3.41Å; L770-S774 PolarHBondContact O-N 3.09Å; E771-S774 PolarHBondContact O-N 3.09Å; N772-S774 VanDerWaalsContact C-N 3.35Å; S774-K776 VanDerWaalsContact C-N 3.31Å; S774-K776 PolarHBondContact O-N 2.86Å; S774-I777 PolarHBondContact O-N 3.28Å; S774-Q778 WeakPolarHBondContact O-CG 3.45Å; S774-Q778 PolarHBondContact O-N 3.13Å |
| 775 | K | 83.4 | Confident | 81.4 | Confident | 131 Ų | 131 | 105.8 Ų | 105.8 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -37.8 | 171.4 | -72.9 | 176.5 | -177.5 | 174.8 | 0 | 112.6 | E771 Q779 | E771-K775 WeakPolarHBondContact O-CG 3.49Å; E771-K775 PolarHBondContact O-N 3.42Å; K775-Q779 PolarHBondContact O-N 3.47Å; K775-Q779 VanDerWaalsContact O-N 3.11Å |
| 776 | K | 84.6 | Confident | 81.7 | Confident | 131 Ų | 131 | 102.5 Ų | 102.5 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.8 | -40.3 | 175.4 | -164.3 | 78.7 | 179 | 175.5 | 0 | 111.4 | N772 S773 S774 Q779 L780 | N772-K776 PolarHBondContact O-N 2.95Å; N772-K776 VanDerWaalsContact O-N 3.13Å; S773-K776 WeakPolarHBondContact O-CB 3.31Å; S773-K776 PolarHBondContact O-N 3.24Å; S774-K776 VanDerWaalsContact C-N 3.31Å; S774-K776 PolarHBondContact O-N 2.86Å; K776-Q779 PolarHBondContact O-N 3.35Å; K776-L780 WeakPolarHBondContact O-CG 3.2Å; K776-L780 PolarHBondContact O-N 2.88Å |
| 777 | I | 82.1 | Confident | 82.2 | Confident | 84 Ų | 84 | 101.9 Ų | 101.9 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 175.3 | -71.4 | 162.9 | 0 | 0 | 0 | 110.1 | S773 S774 Q779 L780 E781 | S773-I777 WeakPolarHBondContact O-CB 3.47Å; S773-I777 VanDerWaalsContact O-CG1 3.23Å; S773-I777 WeakPolarHBondContact O-CG1 3.41Å; S773-I777 PolarHBondContact O-N 3.4Å; S774-I777 PolarHBondContact O-N 3.28Å; I777-Q779 VanDerWaalsContact C-N 3.3Å; I777-Q779 PolarHBondContact O-N 3.32Å; I777-L780 CarbonylContact O-C 3.59Å; I777-L780 PolarHBondContact O-N 3.29Å; I777-L780 VanDerWaalsContact O-N 3.11Å; I777-E781 HydrophobicContact CG2-CG 4.13Å; I777-E781 WeakPolarHBondContact CG2-OE1 3.24Å; I777-E781 WeakPolarHBondContact O-CB 3.38Å; I777-E781 VanDerWaalsContact O-CG 3.31Å; I777-E781 WeakPolarHBondContact O-CG 3.29Å; I777-E781 PolarHBondContact O-N 2.86Å |
| 778 | Q | 82.4 | Confident | 82.7 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -36.6 | 177.4 | -74.3 | 175.8 | -5.4 | 0 | 0 | 113.1 | S774 A782 | S774-Q778 WeakPolarHBondContact O-CG 3.45Å; S774-Q778 PolarHBondContact O-N 3.13Å; Q778-A782 WeakPolarHBondContact O-CB 3.29Å; Q778-A782 PolarHBondContact O-N 2.82Å |
| 779 | Q | 83.5 | Confident | 83.2 | Confident | 119 Ų | 119 | 98 Ų | 98 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -45.1 | 172.6 | -90.5 | 179.4 | -27.9 | 0 | 0 | 112.2 | K775 K776 I777 E781 A782 E783 | K775-Q779 PolarHBondContact O-N 3.47Å; K775-Q779 VanDerWaalsContact O-N 3.11Å; K776-Q779 PolarHBondContact O-N 3.35Å; I777-Q779 VanDerWaalsContact C-N 3.3Å; I777-Q779 PolarHBondContact O-N 3.32Å; Q779-E781 VanDerWaalsContact C-N 3.33Å; Q779-E781 PolarHBondContact O-N 3.46Å; Q779-A782 PolarHBondContact O-N 2.66Å; Q779-E783 WeakPolarHBondContact O-CG 3.25Å; Q779-E783 PolarHBondContact O-N 3.46Å |
| 780 | L | 82.4 | Confident | 83.6 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 177.8 | -70 | 170.9 | 0 | 0 | 0 | 112.4 | K776 I777 L784 | K776-L780 WeakPolarHBondContact O-CG 3.2Å; K776-L780 PolarHBondContact O-N 2.88Å; I777-L780 CarbonylContact O-C 3.59Å; I777-L780 PolarHBondContact O-N 3.29Å; I777-L780 VanDerWaalsContact O-N 3.11Å; L780-L784 VanDerWaalsContact O-CB 3.24Å; L780-L784 WeakPolarHBondContact O-CB 3.19Å; L780-L784 PolarHBondContact O-N 3.09Å |
| 781 | E | 83.6 | Confident | 84 | Confident | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 173 | -75.7 | 171.5 | 166.9 | 0 | 0 | 111.2 | I777 Q779 L784 Q785 | I777-E781 HydrophobicContact CG2-CG 4.13Å; I777-E781 WeakPolarHBondContact CG2-OE1 3.24Å; I777-E781 WeakPolarHBondContact O-CB 3.38Å; I777-E781 VanDerWaalsContact O-CG 3.31Å; I777-E781 WeakPolarHBondContact O-CG 3.29Å; I777-E781 PolarHBondContact O-N 2.86Å; Q779-E781 VanDerWaalsContact C-N 3.33Å; Q779-E781 PolarHBondContact O-N 3.46Å; E781-L784 PolarHBondContact O-N 3.45Å; E781-Q785 VanDerWaalsContact O-CB 3.31Å; E781-Q785 WeakPolarHBondContact O-CB 3.28Å; E781-Q785 PolarHBondContact O-N 2.79Å |
| 782 | A | 84.7 | Confident | 84.4 | Confident | 57 Ų | 57 | 99.5 Ų | 99.5 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q778 Q779 L784 Q785 E786 | Q778-A782 WeakPolarHBondContact O-CB 3.29Å; Q778-A782 PolarHBondContact O-N 2.82Å; Q779-A782 PolarHBondContact O-N 2.66Å; A782-L784 VanDerWaalsContact C-N 3.35Å; A782-Q785 PolarHBondContact O-N 3.24Å; A782-E786 PolarHBondContact O-N 3.2Å |
| 783 | E | 85.7 | Confident | 84.6 | Confident | 112 Ų | 112 | 97.5 Ų | 97.5 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 175 | -72.4 | 173.7 | -167.4 | 0 | 0 | 111.6 | Q779 E786 V787 | Q779-E783 WeakPolarHBondContact O-CG 3.25Å; Q779-E783 PolarHBondContact O-N 3.46Å; E783-E786 PolarHBondContact O-N 3.47Å; E783-V787 WeakPolarHBondContact O-CG2 3.3Å; E783-V787 PolarHBondContact O-N 3.01Å |
| 784 | L | 83.7 | Confident | 84.9 | Confident | 100 Ų | 100 | 100.3 Ų | 100.3 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.5 | -175 | 69.4 | 0 | 0 | 0 | 111.4 | L780 E781 A782 E786 V787 E788 | L780-L784 VanDerWaalsContact O-CB 3.24Å; L780-L784 WeakPolarHBondContact O-CB 3.19Å; L780-L784 PolarHBondContact O-N 3.09Å; E781-L784 PolarHBondContact O-N 3.45Å; A782-L784 VanDerWaalsContact C-N 3.35Å; L784-E786 VanDerWaalsContact C-N 3.35Å; L784-V787 PolarHBondContact O-N 3Å; L784-E788 WeakPolarHBondContact O-CB 3.42Å; L784-E788 WeakPolarHBondContact O-CG 3.24Å; L784-E788 PolarHBondContact O-N 3.34Å |
| 785 | Q | 86.1 | Confident | 85.1 | Confident | 131 Ų | 131 | 103.2 Ų | 103.2 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | 178.7 | -165.3 | 170.3 | 7.3 | 0 | 0 | 111.6 | E781 A782 E788 T789 | E781-Q785 VanDerWaalsContact O-CB 3.31Å; E781-Q785 WeakPolarHBondContact O-CB 3.28Å; E781-Q785 PolarHBondContact O-N 2.79Å; A782-Q785 PolarHBondContact O-N 3.24Å; Q785-E788 PolarHBondContact O-N 2.76Å; Q785-T789 WeakPolarHBondContact O-CG2 3.28Å; Q785-T789 PolarHBondContact O-N 3.48Å; Q785-T789 PolarHBondContact O-OG1 3.33Å |
| 786 | E | 86.6 | Confident | 85.3 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -48.4 | 173.2 | -168.4 | 170.8 | -166.4 | 0 | 0 | 111.1 | A782 E783 L784 E788 T789 E790 | A782-E786 PolarHBondContact O-N 3.2Å; E783-E786 PolarHBondContact O-N 3.47Å; L784-E786 VanDerWaalsContact C-N 3.35Å; E786-E788 VanDerWaalsContact C-N 3.33Å; E786-E788 PolarHBondContact O-N 2.99Å; E786-T789 PolarHBondContact O-N 3.3Å; E786-T789 VanDerWaalsContact O-N 3.12Å; E786-T789 PolarHBondContact O-OG1 3.27Å; E786-E790 PolarHBondContact O-N 3.46Å |
| 787 | V | 85.3 | Confident | 85.4 | Confident | 85 Ų | 85 | 100.8 Ų | 100.8 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | E783 L784 E790 N791 | E783-V787 WeakPolarHBondContact O-CG2 3.3Å; E783-V787 PolarHBondContact O-N 3.01Å; L784-V787 PolarHBondContact O-N 3Å; V787-E790 PolarHBondContact O-N 3.41Å; V787-N791 VanDerWaalsContact O-CB 3.31Å; V787-N791 WeakPolarHBondContact O-CB 3.42Å; V787-N791 PolarHBondContact O-N 3.48Å |
| 788 | E | 85.2 | Confident | 85.7 | Confident | 103 Ų | 103 | 101 Ų | 101 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 173.8 | -80.8 | -179.2 | 171.6 | 0 | 0 | 111.8 | L784 Q785 E786 N791 Q792 | L784-E788 WeakPolarHBondContact O-CB 3.42Å; L784-E788 WeakPolarHBondContact O-CG 3.24Å; L784-E788 PolarHBondContact O-N 3.34Å; Q785-E788 PolarHBondContact O-N 2.76Å; E786-E788 VanDerWaalsContact C-N 3.33Å; E786-E788 PolarHBondContact O-N 2.99Å; E788-N791 PolarHBondContact O-N 3.05Å; E788-Q792 VanDerWaalsContact O-CG 3.29Å; E788-Q792 WeakPolarHBondContact O-CG 3.48Å; E788-Q792 PolarHBondContact O-N 3.36Å |
| 789 | T | 88.3 | Confident | 85.9 | Confident | 72 Ų | 72 | 100.1 Ų | 100.1 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 175.8 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | Q785 E786 Q792 T793 | Q785-T789 WeakPolarHBondContact O-CG2 3.28Å; Q785-T789 PolarHBondContact O-N 3.48Å; Q785-T789 PolarHBondContact O-OG1 3.33Å; E786-T789 PolarHBondContact O-N 3.3Å; E786-T789 VanDerWaalsContact O-N 3.12Å; E786-T789 PolarHBondContact O-OG1 3.27Å; T789-Q792 PolarHBondContact O-N 3.45Å; T789-T793 WeakPolarHBondContact O-CG2 3.46Å; T789-T793 PolarHBondContact O-N 3.26Å; T789-T793 PolarHBondContact O-OG1 3.43Å |
| 790 | E | 88.1 | Confident | 86 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 173.5 | -73.1 | -170.4 | 162.3 | 0 | 0 | 112.1 | E786 V787 T793 L794 | E786-E790 PolarHBondContact O-N 3.46Å; V787-E790 PolarHBondContact O-N 3.41Å; E790-T793 WeakPolarHBondContact CA-OG1 3.37Å; E790-T793 PolarHBondContact O-N 3.42Å; E790-T793 PolarHBondContact O-OG1 3.32Å; E790-L794 WeakPolarHBondContact O-CB 3.35Å; E790-L794 VanDerWaalsContact O-CG 3.29Å; E790-L794 WeakPolarHBondContact O-CG 3.47Å; E790-L794 PolarHBondContact O-N 3.31Å |
| 791 | N | 84.8 | Confident | 86.1 | Confident | 101 Ų | 101 | 101.5 Ų | 101.5 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 177.4 | -158.4 | -2.6 | 0 | 0 | 0 | 111.2 | V787 E788 T793 L794 Q795 | V787-N791 VanDerWaalsContact O-CB 3.31Å; V787-N791 WeakPolarHBondContact O-CB 3.42Å; V787-N791 PolarHBondContact O-N 3.48Å; E788-N791 PolarHBondContact O-N 3.05Å; N791-T793 PolarHBondContact O-N 3.08Å; N791-L794 PolarHBondContact O-N 3.43Å; N791-Q795 VanDerWaalsContact O-CB 3.32Å; N791-Q795 WeakPolarHBondContact O-CB 3.38Å; N791-Q795 PolarHBondContact O-N 3.31Å |
| 792 | Q | 87.9 | Confident | 86.4 | Confident | 93 Ų | 93 | 102 Ų | 102 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 174.2 | -72 | 176.4 | 20.6 | 0 | 0 | 112.8 | E788 T789 R796 | E788-Q792 VanDerWaalsContact O-CG 3.29Å; E788-Q792 WeakPolarHBondContact O-CG 3.48Å; E788-Q792 PolarHBondContact O-N 3.36Å; T789-Q792 PolarHBondContact O-N 3.45Å; Q792-R796 WeakPolarHBondContact O-CG 3.48Å; Q792-R796 PolarHBondContact O-N 3.16Å; Q792-R796 VanDerWaalsContact O-N 3.1Å; Q792-R796 PolarHBondContact O-NH1 3.46Å |
| 793 | T | 87.9 | Confident | 86.6 | Confident | 66 Ų | 66 | 105 Ų | 105 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.4 | -41.1 | 176 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | T789 E790 N791 Q795 R796 N797 | T789-T793 WeakPolarHBondContact O-CG2 3.46Å; T789-T793 PolarHBondContact O-N 3.26Å; T789-T793 PolarHBondContact O-OG1 3.43Å; E790-T793 WeakPolarHBondContact CA-OG1 3.37Å; E790-T793 PolarHBondContact O-N 3.42Å; E790-T793 PolarHBondContact O-OG1 3.32Å; N791-T793 PolarHBondContact O-N 3.08Å; T793-Q795 VanDerWaalsContact C-N 3.32Å; T793-Q795 PolarHBondContact O-N 2.88Å; T793-R796 PolarHBondContact O-N 2.92Å; T793-N797 VanDerWaalsContact O-CG 3.23Å; T793-N797 PolarHBondContact O-N 2.93Å; T793-N797 PolarHBondContact O-ND2 3.47Å |
| 794 | L | 86 | Confident | 86.4 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -38.3 | 173.3 | -71.7 | 171.6 | 0 | 0 | 0 | 112.4 | E790 N791 N797 L798 | E790-L794 WeakPolarHBondContact O-CB 3.35Å; E790-L794 VanDerWaalsContact O-CG 3.29Å; E790-L794 WeakPolarHBondContact O-CG 3.47Å; E790-L794 PolarHBondContact O-N 3.31Å; N791-L794 PolarHBondContact O-N 3.43Å; L794-N797 PolarHBondContact O-N 3.13Å; L794-L798 WeakPolarHBondContact O-CB 3.3Å; L794-L798 PolarHBondContact O-N 2.69Å |
| 795 | Q | 84.4 | Confident | 86.6 | Confident | 111 Ų | 111 | 100.8 Ų | 100.8 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 177.1 | -166.8 | 169.7 | -1 | 0 | 0 | 112.1 | N791 T793 L798 E799 | N791-Q795 VanDerWaalsContact O-CB 3.32Å; N791-Q795 WeakPolarHBondContact O-CB 3.38Å; N791-Q795 PolarHBondContact O-N 3.31Å; T793-Q795 VanDerWaalsContact C-N 3.32Å; T793-Q795 PolarHBondContact O-N 2.88Å; Q795-L798 PolarHBondContact O-N 3.5Å; Q795-E799 WeakPolarHBondContact O-CG 3.25Å; Q795-E799 PolarHBondContact O-N 3.36Å |
| 796 | R | 87.4 | Confident | 86.7 | Confident | 128 Ų | 128 | 101.7 Ų | 101.7 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -46 | 172.3 | -71.5 | -177.9 | -161.2 | 95.9 | 0.5 | 111.8 | Q792 T793 L798 E799 E800 | Q792-R796 WeakPolarHBondContact O-CG 3.48Å; Q792-R796 PolarHBondContact O-N 3.16Å; Q792-R796 VanDerWaalsContact O-N 3.1Å; Q792-R796 PolarHBondContact O-NH1 3.46Å; T793-R796 PolarHBondContact O-N 2.92Å; R796-L798 VanDerWaalsContact C-N 3.28Å; R796-L798 PolarHBondContact O-N 3.1Å; R796-E799 PolarHBondContact O-N 3.46Å; R796-E800 WeakPolarHBondContact O-CG 3.47Å; R796-E800 PolarHBondContact O-N 2.88Å |
| 797 | N | 87.8 | Confident | 86.7 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 177.8 | -68.7 | -14.9 | 0 | 0 | 0 | 112.1 | T793 L794 E800 L801 | T793-N797 VanDerWaalsContact O-CG 3.23Å; T793-N797 PolarHBondContact O-N 2.93Å; T793-N797 PolarHBondContact O-ND2 3.47Å; L794-N797 PolarHBondContact O-N 3.13Å; N797-E800 PolarHBondContact O-N 2.99Å; N797-L801 WeakPolarHBondContact O-CB 3.47Å; N797-L801 WeakPolarHBondContact O-CG 3.36Å; N797-L801 PolarHBondContact O-N 3.5Å |
| 798 | L | 86.9 | Confident | 86.7 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.7 | -35.3 | 177.4 | -171.1 | 145.8 | 0 | 0 | 0 | 112.1 | L794 Q795 R796 K802 | L794-L798 WeakPolarHBondContact O-CB 3.3Å; L794-L798 PolarHBondContact O-N 2.69Å; Q795-L798 PolarHBondContact O-N 3.5Å; R796-L798 VanDerWaalsContact C-N 3.28Å; R796-L798 PolarHBondContact O-N 3.1Å; L798-K802 HydrophobicContact CD2-CD 3.93Å; L798-K802 VanDerWaalsContact CD2-NZ 3.3Å; L798-K802 WeakPolarHBondContact O-CG 3.41Å; L798-K802 PolarHBondContact O-N 3.41Å |
| 799 | E | 87.9 | Confident | 86.8 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 172.4 | -73.4 | 172.4 | -172.2 | 0 | 0 | 111.8 | Q795 R796 L801 K802 I803 | Q795-E799 WeakPolarHBondContact O-CG 3.25Å; Q795-E799 PolarHBondContact O-N 3.36Å; R796-E799 PolarHBondContact O-N 3.46Å; E799-L801 PolarHBondContact O-N 3.36Å; E799-K802 WeakPolarHBondContact O-CB 3.17Å; E799-K802 PolarHBondContact O-N 2.97Å; E799-I803 WeakPolarHBondContact O-CG1 3.25Å; E799-I803 PolarHBondContact O-N 3.24Å |
| 800 | E | 85.3 | Confident | 86.7 | Confident | 127 Ų | 127 | 107.2 Ų | 107.2 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 173.7 | -74 | 179.5 | -173.9 | 0 | 0 | 112 | R796 N797 K802 I803 S804 | R796-E800 WeakPolarHBondContact O-CG 3.47Å; R796-E800 PolarHBondContact O-N 2.88Å; N797-E800 PolarHBondContact O-N 2.99Å; E800-K802 VanDerWaalsContact C-N 3.33Å; E800-K802 PolarHBondContact O-N 2.96Å; E800-I803 PolarHBondContact O-N 2.94Å; E800-S804 PolarHBondContact O-N 3.37Å; E800-S804 PolarHBondContact O-OG 3.07Å |
| 801 | L | 85.1 | Confident | 86.5 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -33.9 | 174.6 | -77.9 | 168.2 | 0 | 0 | 0 | 112.9 | N797 E799 S804 S805 | N797-L801 WeakPolarHBondContact O-CB 3.47Å; N797-L801 WeakPolarHBondContact O-CG 3.36Å; N797-L801 PolarHBondContact O-N 3.5Å; E799-L801 PolarHBondContact O-N 3.36Å; L801-S804 WeakPolarHBondContact CA-OG 3.29Å; L801-S804 PolarHBondContact O-OG 2.94Å; L801-S805 VanDerWaalsContact O-CB 3.3Å; L801-S805 WeakPolarHBondContact O-CB 3.36Å; L801-S805 PolarHBondContact O-N 3.28Å |
| 802 | K | 89.3 | Confident | 86.6 | Confident | 125 Ų | 125 | 106.7 Ų | 106.7 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 173.9 | -80 | 172.7 | 176.8 | 169.8 | 0 | 112 | L798 E799 E800 K806 | L798-K802 HydrophobicContact CD2-CD 3.93Å; L798-K802 VanDerWaalsContact CD2-NZ 3.3Å; L798-K802 WeakPolarHBondContact O-CG 3.41Å; L798-K802 PolarHBondContact O-N 3.41Å; E799-K802 WeakPolarHBondContact O-CB 3.17Å; E799-K802 PolarHBondContact O-N 2.97Å; E800-K802 VanDerWaalsContact C-N 3.33Å; E800-K802 PolarHBondContact O-N 2.96Å; K802-K806 WeakPolarHBondContact O-CG 3.19Å; K802-K806 PolarHBondContact O-N 3.1Å |
| 803 | I | 88.8 | Confident | 86.7 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 177.3 | -66.5 | 165 | 0 | 0 | 0 | 109.9 | E799 E800 K806 R807 | E799-I803 WeakPolarHBondContact O-CG1 3.25Å; E799-I803 PolarHBondContact O-N 3.24Å; E800-I803 PolarHBondContact O-N 2.94Å; I803-K806 PolarHBondContact O-N 3.11Å; I803-R807 WeakPolarHBondContact O-CB 3.44Å; I803-R807 PolarHBondContact O-N 2.93Å |
| 804 | S | 82.2 | Confident | 86.7 | Confident | 64 Ų | 64 | 109.4 Ų | 109.4 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 177.2 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | E800 L801 R807 L808 | E800-S804 PolarHBondContact O-N 3.37Å; E800-S804 PolarHBondContact O-OG 3.07Å; L801-S804 WeakPolarHBondContact CA-OG 3.29Å; L801-S804 PolarHBondContact O-OG 2.94Å; S804-R807 PolarHBondContact O-N 3.42Å; S804-L808 PolarHBondContact O-N 2.83Å |
| 805 | S | 87.1 | Confident | 86.7 | Confident | 60 Ų | 60 | 108.5 Ų | 108.5 | 42% | 0.42 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 173.7 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | L801 R807 L808 E809 | L801-S805 VanDerWaalsContact O-CB 3.3Å; L801-S805 WeakPolarHBondContact O-CB 3.36Å; L801-S805 PolarHBondContact O-N 3.28Å; S805-R807 VanDerWaalsContact C-N 3.32Å; S805-R807 PolarHBondContact O-N 2.84Å; S805-L808 PolarHBondContact O-N 3.16Å; S805-E809 PolarHBondContact O-N 3.08Å |
| 806 | K | 88.4 | Confident | 87 | Confident | 150 Ų | 150 | 109.3 Ų | 109.3 | 65% | 0.652 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 177.1 | -75.9 | -176.8 | 177.1 | -174.6 | 0 | 112.5 | K802 I803 L808 E809 Q810 | K802-K806 WeakPolarHBondContact O-CG 3.19Å; K802-K806 PolarHBondContact O-N 3.1Å; I803-K806 PolarHBondContact O-N 3.11Å; K806-L808 VanDerWaalsContact C-N 3.33Å; K806-E809 PolarHBondContact O-N 3.24Å; K806-Q810 WeakPolarHBondContact O-CB 3.47Å; K806-Q810 PolarHBondContact O-N 2.86Å |
| 807 | R | 87.3 | Confident | 87.1 | Confident | 181 Ų | 181 | 106.7 Ų | 106.7 | 68% | 0.683 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66 | -37.7 | 176.2 | -170 | 174.2 | -177.5 | 175.5 | 0.5 | 111.6 | I803 S804 S805 Q810 L811 | I803-R807 WeakPolarHBondContact O-CB 3.44Å; I803-R807 PolarHBondContact O-N 2.93Å; S804-R807 PolarHBondContact O-N 3.42Å; S805-R807 VanDerWaalsContact C-N 3.32Å; S805-R807 PolarHBondContact O-N 2.84Å; R807-Q810 PolarHBondContact O-N 3.48Å; R807-L811 HydrophobicContact CG-CD1 4.45Å; R807-L811 VanDerWaalsContact O-CG 3.31Å; R807-L811 WeakPolarHBondContact O-CG 3.24Å; R807-L811 PolarHBondContact O-N 2.78Å |
| 808 | L | 84.4 | Confident | 87 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 175.1 | -172 | 68.4 | 0 | 0 | 0 | 111.6 | S804 S805 K806 Q810 L811 E812 | S804-L808 PolarHBondContact O-N 2.83Å; S805-L808 PolarHBondContact O-N 3.16Å; K806-L808 VanDerWaalsContact C-N 3.33Å; L808-Q810 VanDerWaalsContact C-N 3.3Å; L808-Q810 PolarHBondContact O-N 2.77Å; L808-L811 PolarHBondContact O-N 2.79Å; L808-E812 WeakPolarHBondContact O-CG 3.31Å; L808-E812 PolarHBondContact O-N 2.83Å |
| 809 | E | 86.6 | Confident | 87 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 175.2 | -75.1 | 174.7 | -175.2 | 0 | 0 | 112.2 | S805 K806 E812 Q813 | S805-E809 PolarHBondContact O-N 3.08Å; K806-E809 PolarHBondContact O-N 3.24Å; E809-E812 PolarHBondContact O-N 3.41Å; E809-Q813 WeakPolarHBondContact O-CG 3.21Å; E809-Q813 PolarHBondContact O-N 2.73Å |
| 810 | Q | 87.1 | Confident | 87.1 | Confident | 110 Ų | 110 | 110.3 Ų | 110.3 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176 | -173 | 175.4 | -7.3 | 0 | 0 | 111.5 | K806 R807 L808 E812 Q813 E814 | K806-Q810 WeakPolarHBondContact O-CB 3.47Å; K806-Q810 PolarHBondContact O-N 2.86Å; R807-Q810 PolarHBondContact O-N 3.48Å; L808-Q810 VanDerWaalsContact C-N 3.3Å; L808-Q810 PolarHBondContact O-N 2.77Å; Q810-E812 VanDerWaalsContact C-N 3.32Å; Q810-E812 PolarHBondContact O-N 3.48Å; Q810-Q813 PolarHBondContact O-N 3.49Å; Q810-E814 PolarHBondContact NE2-OE1 3.24Å; Q810-E814 WeakPolarHBondContact O-CG 3.32Å; Q810-E814 PolarHBondContact O-N 2.73Å |
| 811 | L | 84.8 | Confident | 87.2 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.7 | -73.5 | 169.8 | 0 | 0 | 0 | 112.3 | R807 L808 E814 N815 | R807-L811 HydrophobicContact CG-CD1 4.45Å; R807-L811 VanDerWaalsContact O-CG 3.31Å; R807-L811 WeakPolarHBondContact O-CG 3.24Å; R807-L811 PolarHBondContact O-N 2.78Å; L808-L811 PolarHBondContact O-N 2.79Å; L811-E814 PolarHBondContact O-N 3.4Å; L811-N815 VanDerWaalsContact O-CB 3.29Å; L811-N815 WeakPolarHBondContact O-CB 3.41Å; L811-N815 PolarHBondContact O-N 3.32Å |
| 812 | E | 86.4 | Confident | 87.1 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 174.4 | -77.2 | -175.4 | 179.6 | 0 | 0 | 112.6 | L808 E809 Q810 K816 | L808-E812 WeakPolarHBondContact O-CG 3.31Å; L808-E812 PolarHBondContact O-N 2.83Å; E809-E812 PolarHBondContact O-N 3.41Å; Q810-E812 VanDerWaalsContact C-N 3.32Å; Q810-E812 PolarHBondContact O-N 3.48Å; E812-K816 WeakPolarHBondContact O-CG 3.26Å; E812-K816 PolarHBondContact O-N 3.39Å; E812-K816 VanDerWaalsContact O-N 3.1Å |
| 813 | Q | 89.6 | Confident | 87.1 | Confident | 130 Ų | 130 | 104 Ų | 104 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.4 | -45.3 | 174.4 | -72.3 | 178 | 10.4 | 0 | 0 | 111.4 | E809 Q810 N815 K816 T817 | E809-Q813 WeakPolarHBondContact O-CG 3.21Å; E809-Q813 PolarHBondContact O-N 2.73Å; Q810-Q813 PolarHBondContact O-N 3.49Å; Q813-N815 VanDerWaalsContact C-N 3.29Å; Q813-N815 PolarHBondContact O-N 3.4Å; Q813-K816 PolarHBondContact O-N 3.24Å; Q813-T817 PolarHBondContact O-N 3.36Å; Q813-T817 PolarHBondContact O-OG1 3.28Å |
| 814 | E | 88.1 | Confident | 87.1 | Confident | 86 Ų | 86 | 102.4 Ų | 102.4 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 175.2 | -74.5 | 172.8 | -167.8 | 0 | 0 | 111.2 | Q810 L811 T817 L818 | Q810-E814 PolarHBondContact NE2-OE1 3.24Å; Q810-E814 WeakPolarHBondContact O-CG 3.32Å; Q810-E814 PolarHBondContact O-N 2.73Å; L811-E814 PolarHBondContact O-N 3.4Å; E814-T817 VanDerWaalsContact C-OG1 3.28Å; E814-T817 VanDerWaalsContact CA-OG1 3.24Å; E814-T817 WeakPolarHBondContact CA-OG1 3.44Å; E814-T817 PolarHBondContact O-N 3.29Å; E814-T817 PolarHBondContact O-OG1 3.27Å; E814-L818 WeakPolarHBondContact O-CB 3.32Å; E814-L818 VanDerWaalsContact O-CG 3.26Å; E814-L818 WeakPolarHBondContact O-CG 3.09Å; E814-L818 PolarHBondContact O-N 3.32Å |
| 815 | N | 85.6 | Confident | 87.2 | Confident | 90 Ų | 90 | 105 Ų | 105 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 177.5 | -157.9 | 24.8 | 0 | 0 | 0 | 112.1 | L811 Q813 L818 E819 | L811-N815 VanDerWaalsContact O-CB 3.29Å; L811-N815 WeakPolarHBondContact O-CB 3.41Å; L811-N815 PolarHBondContact O-N 3.32Å; Q813-N815 VanDerWaalsContact C-N 3.29Å; Q813-N815 PolarHBondContact O-N 3.4Å; N815-L818 PolarHBondContact O-N 3.4Å; N815-E819 WeakPolarHBondContact O-CG 3.22Å; N815-E819 PolarHBondContact O-N 2.88Å |
| 816 | K | 91.7 | Very high | 87.2 | Confident | 127 Ų | 127 | 107.1 Ų | 107.1 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 173.6 | -75.7 | 173.2 | -176.2 | 168.2 | 0 | 112.5 | E812 Q813 E819 L820 | E812-K816 WeakPolarHBondContact O-CG 3.26Å; E812-K816 PolarHBondContact O-N 3.39Å; E812-K816 VanDerWaalsContact O-N 3.1Å; Q813-K816 PolarHBondContact O-N 3.24Å; K816-E819 PolarHBondContact O-N 3.17Å; K816-L820 WeakPolarHBondContact O-CG 3.31Å; K816-L820 PolarHBondContact O-N 3.12Å; K816-L820 VanDerWaalsContact O-N 3.08Å |
| 817 | T | 88.8 | Confident | 87.4 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 45% | 0.454 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 174.9 | 41.4 | 0 | 0 | 0 | 0 | 111.5 | Q813 E814 E819 L820 E821 | Q813-T817 PolarHBondContact O-N 3.36Å; Q813-T817 PolarHBondContact O-OG1 3.28Å; E814-T817 VanDerWaalsContact C-OG1 3.28Å; E814-T817 VanDerWaalsContact CA-OG1 3.24Å; E814-T817 WeakPolarHBondContact CA-OG1 3.44Å; E814-T817 PolarHBondContact O-N 3.29Å; E814-T817 PolarHBondContact O-OG1 3.27Å; T817-E819 PolarHBondContact O-N 3.25Å; T817-L820 PolarHBondContact O-N 3.3Å; T817-E821 WeakPolarHBondContact O-CG 3.35Å; T817-E821 PolarHBondContact O-N 3.33Å |
| 818 | L | 85 | Confident | 87.4 | Confident | 101 Ų | 101 | 99.9 Ų | 99.9 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 176 | -72.7 | 170.3 | 0 | 0 | 0 | 112.4 | E814 N815 E821 S822 | E814-L818 WeakPolarHBondContact O-CB 3.32Å; E814-L818 VanDerWaalsContact O-CG 3.26Å; E814-L818 WeakPolarHBondContact O-CG 3.09Å; E814-L818 PolarHBondContact O-N 3.32Å; N815-L818 PolarHBondContact O-N 3.4Å; L818-E821 PolarHBondContact O-N 2.96Å; L818-S822 WeakPolarHBondContact O-CB 3.48Å; L818-S822 PolarHBondContact O-N 3.49Å |
| 819 | E | 87 | Confident | 87.6 | Confident | 125 Ų | 125 | 101 Ų | 101 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 173 | -78.2 | 178.6 | 176.9 | 0 | 0 | 111.9 | N815 K816 T817 S823 | N815-E819 WeakPolarHBondContact O-CG 3.22Å; N815-E819 PolarHBondContact O-N 2.88Å; K816-E819 PolarHBondContact O-N 3.17Å; T817-E819 PolarHBondContact O-N 3.25Å; E819-S823 WeakPolarHBondContact O-CB 3.36Å; E819-S823 PolarHBondContact O-N 3.42Å |
| 820 | L | 90.5 | Very high | 87.9 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -45.6 | 175.9 | -71.4 | 172.1 | 0 | 0 | 0 | 111.6 | K816 T817 S823 Q824 | K816-L820 WeakPolarHBondContact O-CG 3.31Å; K816-L820 PolarHBondContact O-N 3.12Å; K816-L820 VanDerWaalsContact O-N 3.08Å; T817-L820 PolarHBondContact O-N 3.3Å; L820-S823 PolarHBondContact O-N 3.33Å; L820-S823 PolarHBondContact O-OG 3.32Å; L820-Q824 PolarHBondContact O-N 2.94Å |
| 821 | E | 87.1 | Confident | 87.9 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.5 | -75 | 178.9 | -179.6 | 0 | 0 | 111.7 | T817 L818 S823 Q824 L825 | T817-E821 WeakPolarHBondContact O-CG 3.35Å; T817-E821 PolarHBondContact O-N 3.33Å; L818-E821 PolarHBondContact O-N 2.96Å; E821-S823 VanDerWaalsContact C-N 3.33Å; E821-S823 PolarHBondContact O-N 3.28Å; E821-Q824 PolarHBondContact O-N 3.47Å; E821-Q824 VanDerWaalsContact O-N 3.13Å; E821-L825 WeakPolarHBondContact O-CB 3.4Å; E821-L825 VanDerWaalsContact O-CG 3.31Å; E821-L825 WeakPolarHBondContact O-CG 3.48Å; E821-L825 PolarHBondContact O-N 3.33Å |
| 822 | S | 83.7 | Confident | 87.8 | Confident | 73 Ų | 73 | 101.7 Ų | 101.7 | 51% | 0.51 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 175 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | L818 Q824 L825 E826 | L818-S822 WeakPolarHBondContact O-CB 3.48Å; L818-S822 PolarHBondContact O-N 3.49Å; S822-Q824 VanDerWaalsContact C-N 3.28Å; S822-Q824 PolarHBondContact O-N 2.96Å; S822-L825 PolarHBondContact O-N 2.89Å; S822-E826 PolarHBondContact O-N 2.98Å |
| 823 | S | 88.9 | Confident | 87.7 | Confident | 49 Ų | 49 | 101.1 Ų | 101.1 | 34% | 0.343 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -31.7 | 176.9 | 81.2 | 0 | 0 | 0 | 0 | 113.2 | E819 L820 E821 K827 | E819-S823 WeakPolarHBondContact O-CB 3.36Å; E819-S823 PolarHBondContact O-N 3.42Å; L820-S823 PolarHBondContact O-N 3.33Å; L820-S823 PolarHBondContact O-OG 3.32Å; E821-S823 VanDerWaalsContact C-N 3.33Å; E821-S823 PolarHBondContact O-N 3.28Å; S823-K827 WeakPolarHBondContact O-CG 3.35Å; S823-K827 PolarHBondContact O-N 2.86Å |
| 824 | Q | 89.7 | Confident | 87.9 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75 | -46.3 | 177.2 | -175.3 | 54.9 | 40 | 0 | 0 | 110.8 | L820 E821 S822 E826 K827 D828 | L820-Q824 PolarHBondContact O-N 2.94Å; E821-Q824 PolarHBondContact O-N 3.47Å; E821-Q824 VanDerWaalsContact O-N 3.13Å; S822-Q824 VanDerWaalsContact C-N 3.28Å; S822-Q824 PolarHBondContact O-N 2.96Å; Q824-E826 PolarHBondContact O-N 3.34Å; Q824-K827 WeakPolarHBondContact O-CB 3.33Å; Q824-K827 PolarHBondContact O-N 3.08Å; Q824-D828 PolarHBondContact NE2-OD1 2.87Å; Q824-D828 PolarHBondContact NE2-OD2 2.79Å; Q824-D828 PolarHBondContact O-N 2.89Å |
| 825 | L | 84.2 | Confident | 87.9 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -35.4 | 174.1 | -71.9 | 172.2 | 0 | 0 | 0 | 111.9 | E821 S822 D828 K829 | E821-L825 WeakPolarHBondContact O-CB 3.4Å; E821-L825 VanDerWaalsContact O-CG 3.31Å; E821-L825 WeakPolarHBondContact O-CG 3.48Å; E821-L825 PolarHBondContact O-N 3.33Å; S822-L825 PolarHBondContact O-N 2.89Å; L825-D828 PolarHBondContact O-N 3.13Å; L825-K829 VanDerWaalsContact O-CB 3.26Å; L825-K829 WeakPolarHBondContact O-CB 3.38Å; L825-K829 PolarHBondContact O-N 3.27Å |
| 826 | E | 86.5 | Confident | 87.7 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -32.6 | 175.9 | -162.4 | -179.5 | 159.7 | 0 | 0 | 112.8 | S822 Q824 K830 | S822-E826 PolarHBondContact O-N 2.98Å; Q824-E826 PolarHBondContact O-N 3.34Å; E826-K830 WeakPolarHBondContact O-CG 3.47Å; E826-K830 PolarHBondContact O-N 2.82Å; E826-K830 IonicContact OE1-NZ 2.88Å; E826-K830 PolarHBondContact OE1-NZ 3.16Å |
| 827 | K | 92.2 | Very high | 87.6 | Confident | 117 Ų | 117 | 102.9 Ų | 102.9 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.2 | -44 | 172.4 | -69 | 169.7 | -170.7 | 165.4 | 0 | 111.1 | S823 Q824 K829 K830 L831 | S823-K827 WeakPolarHBondContact O-CG 3.35Å; S823-K827 PolarHBondContact O-N 2.86Å; Q824-K827 WeakPolarHBondContact O-CB 3.33Å; Q824-K827 PolarHBondContact O-N 3.08Å; K827-K829 VanDerWaalsContact C-N 3.34Å; K827-K829 PolarHBondContact O-N 3.21Å; K827-K830 WeakPolarHBondContact O-CB 3.32Å; K827-K830 PolarHBondContact O-N 2.98Å; K827-K830 VanDerWaalsContact O-N 3.11Å; K827-L831 PolarHBondContact O-N 3.46Å |
| 828 | D | 87.6 | Confident | 87.7 | Confident | 62 Ų | 62 | 107.3 Ų | 107.3 | 33% | 0.332 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 180 | -63.9 | -20.1 | 0 | 0 | 0 | 110.6 | Q824 L825 K830 L831 L832 | Q824-D828 PolarHBondContact NE2-OD1 2.87Å; Q824-D828 PolarHBondContact NE2-OD2 2.79Å; Q824-D828 PolarHBondContact O-N 2.89Å; L825-D828 PolarHBondContact O-N 3.13Å; D828-K830 VanDerWaalsContact C-N 3.33Å; D828-K830 PolarHBondContact O-N 2.94Å; D828-L831 PolarHBondContact O-N 3.24Å; D828-L831 VanDerWaalsContact O-N 3.15Å; D828-L832 WeakPolarHBondContact O-CB 3.49Å; D828-L832 WeakPolarHBondContact O-CG 3.45Å; D828-L832 PolarHBondContact O-N 3.33Å |
| 829 | K | 89 | Confident | 87.7 | Confident | 126 Ų | 126 | 106.6 Ų | 106.6 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.2 | -45.6 | 169.6 | -179 | -178.6 | 174 | -177 | 0 | 112 | L825 K827 L831 L832 E833 | L825-K829 VanDerWaalsContact O-CB 3.26Å; L825-K829 WeakPolarHBondContact O-CB 3.38Å; L825-K829 PolarHBondContact O-N 3.27Å; K827-K829 VanDerWaalsContact C-N 3.34Å; K827-K829 PolarHBondContact O-N 3.21Å; K829-L831 VanDerWaalsContact C-N 3.33Å; K829-L831 PolarHBondContact O-N 3.47Å; K829-L832 PolarHBondContact O-N 3.41Å; K829-E833 WeakPolarHBondContact CE-OE1 3.26Å; K829-E833 WeakPolarHBondContact O-CB 3.42Å; K829-E833 VanDerWaalsContact O-CG 3.31Å; K829-E833 WeakPolarHBondContact O-CG 3.41Å; K829-E833 PolarHBondContact O-N 3.2Å |
| 830 | K | 91.4 | Very high | 87.6 | Confident | 109 Ų | 109 | 108.5 Ų | 108.5 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 178.3 | -75.6 | 170.8 | -175.3 | 161.4 | 0 | 112.7 | E826 K827 D828 K834 | E826-K830 WeakPolarHBondContact O-CG 3.47Å; E826-K830 PolarHBondContact O-N 2.82Å; E826-K830 IonicContact OE1-NZ 2.88Å; E826-K830 PolarHBondContact OE1-NZ 3.16Å; K827-K830 WeakPolarHBondContact O-CB 3.32Å; K827-K830 PolarHBondContact O-N 2.98Å; K827-K830 VanDerWaalsContact O-N 3.11Å; D828-K830 VanDerWaalsContact C-N 3.33Å; D828-K830 PolarHBondContact O-N 2.94Å; K830-K834 WeakPolarHBondContact O-CG 3.07Å; K830-K834 PolarHBondContact O-N 3.3Å |
| 831 | L | 87.5 | Confident | 87.5 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.5 | -47.1 | 174.6 | -70 | 174.1 | 0 | 0 | 0 | 111 | K827 D828 K829 E833 K834 E835 | K827-L831 PolarHBondContact O-N 3.46Å; D828-L831 PolarHBondContact O-N 3.24Å; D828-L831 VanDerWaalsContact O-N 3.15Å; K829-L831 VanDerWaalsContact C-N 3.33Å; K829-L831 PolarHBondContact O-N 3.47Å; L831-E833 VanDerWaalsContact C-N 3.32Å; L831-E833 PolarHBondContact O-N 3.24Å; L831-K834 WeakPolarHBondContact O-CB 3.47Å; L831-K834 PolarHBondContact O-N 3.46Å; L831-K834 VanDerWaalsContact O-N 3.1Å; L831-E835 PolarHBondContact O-N 2.78Å |
| 832 | L | 83.4 | Confident | 87.5 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -39.6 | 176 | -71.2 | 172.1 | 0 | 0 | 0 | 111.8 | D828 K829 K834 E835 N836 | D828-L832 WeakPolarHBondContact O-CB 3.49Å; D828-L832 WeakPolarHBondContact O-CG 3.45Å; D828-L832 PolarHBondContact O-N 3.33Å; K829-L832 PolarHBondContact O-N 3.41Å; L832-K834 VanDerWaalsContact C-N 3.32Å; L832-K834 PolarHBondContact O-N 2.74Å; L832-E835 PolarHBondContact O-N 3.45Å; L832-N836 VanDerWaalsContact O-CB 3.28Å; L832-N836 WeakPolarHBondContact O-CB 3.24Å; L832-N836 PolarHBondContact O-N 2.73Å |
| 833 | E | 85.1 | Confident | 87.4 | Confident | 95 Ų | 95 | 105.9 Ų | 105.9 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 174.4 | -79.9 | 176.7 | -174.9 | 0 | 0 | 112.5 | K829 L831 K837 | K829-E833 WeakPolarHBondContact CE-OE1 3.26Å; K829-E833 WeakPolarHBondContact O-CB 3.42Å; K829-E833 VanDerWaalsContact O-CG 3.31Å; K829-E833 WeakPolarHBondContact O-CG 3.41Å; K829-E833 PolarHBondContact O-N 3.2Å; L831-E833 VanDerWaalsContact C-N 3.32Å; L831-E833 PolarHBondContact O-N 3.24Å; E833-K837 WeakPolarHBondContact O-CG 3.29Å; E833-K837 PolarHBondContact O-N 2.67Å |
| 834 | K | 92.7 | Very high | 87.4 | Confident | 144 Ų | 144 | 110 Ų | 110 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.3 | -41.9 | 174.9 | -73 | 173.6 | -177.9 | 179.6 | 0 | 111.6 | K830 L831 L832 K837 R838 | K830-K834 WeakPolarHBondContact O-CG 3.07Å; K830-K834 PolarHBondContact O-N 3.3Å; L831-K834 WeakPolarHBondContact O-CB 3.47Å; L831-K834 PolarHBondContact O-N 3.46Å; L831-K834 VanDerWaalsContact O-N 3.1Å; L832-K834 VanDerWaalsContact C-N 3.32Å; L832-K834 PolarHBondContact O-N 2.74Å; K834-K837 PolarHBondContact O-N 2.72Å; K834-R838 PolarHBondContact O-N 3.25Å |
| 835 | E | 87.5 | Confident | 87.4 | Confident | 104 Ų | 104 | 110.2 Ų | 110.2 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.8 | -172 | 170 | -169.7 | 0 | 0 | 111.6 | L831 L832 K837 R838 L839 | L831-E835 PolarHBondContact O-N 2.78Å; L832-E835 PolarHBondContact O-N 3.45Å; E835-K837 VanDerWaalsContact C-N 3.33Å; E835-K837 PolarHBondContact O-N 3.34Å; E835-R838 WeakPolarHBondContact O-CB 3.24Å; E835-R838 PolarHBondContact O-N 2.73Å; E835-R838 VanDerWaalsContact O-N 3.08Å; E835-L839 HydrophobicContact CG-CD1 4.27Å; E835-L839 WeakPolarHBondContact O-CG 3.22Å; E835-L839 PolarHBondContact O-N 2.76Å |
| 836 | N | 81.9 | Confident | 87.6 | Confident | 82 Ų | 82 | 112.2 Ų | 112.2 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.3 | -146.6 | -67.2 | 0 | 0 | 0 | 111.2 | L832 R838 L839 R840 | L832-N836 VanDerWaalsContact O-CB 3.28Å; L832-N836 WeakPolarHBondContact O-CB 3.24Å; L832-N836 PolarHBondContact O-N 2.73Å; N836-R838 VanDerWaalsContact C-N 3.35Å; N836-R838 PolarHBondContact O-N 3.29Å; N836-L839 PolarHBondContact O-N 3.15Å; N836-R840 VanDerWaalsContact O-CG 3.3Å; N836-R840 WeakPolarHBondContact O-CG 3.22Å; N836-R840 PolarHBondContact O-N 3.07Å; N836-R840 PolarHBondContact OD1-NE 3.43Å |
| 837 | K | 89.3 | Confident | 87.7 | Confident | 140 Ų | 140 | 111.8 Ų | 111.8 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | 172 | -76.5 | 176.9 | -177.6 | 179.3 | 0 | 112.2 | E833 K834 E835 R840 Q841 | E833-K837 WeakPolarHBondContact O-CG 3.29Å; E833-K837 PolarHBondContact O-N 2.67Å; K834-K837 PolarHBondContact O-N 2.72Å; E835-K837 VanDerWaalsContact C-N 3.33Å; E835-K837 PolarHBondContact O-N 3.34Å; K837-R840 PolarHBondContact O-N 3.34Å; K837-Q841 WeakPolarHBondContact O-CG 3.45Å; K837-Q841 PolarHBondContact O-N 3.15Å; K837-Q841 VanDerWaalsContact O-N 3.1Å |
| 838 | R | 92.3 | Very high | 87.5 | Confident | 167 Ų | 167 | 108.9 Ų | 108.9 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -45 | 176.9 | -164.9 | -174.7 | 99.3 | 160.8 | 3.5 | 111.7 | K834 E835 N836 Q841 Q842 | K834-R838 PolarHBondContact O-N 3.25Å; E835-R838 WeakPolarHBondContact O-CB 3.24Å; E835-R838 PolarHBondContact O-N 2.73Å; E835-R838 VanDerWaalsContact O-N 3.08Å; N836-R838 VanDerWaalsContact C-N 3.35Å; N836-R838 PolarHBondContact O-N 3.29Å; R838-Q841 PolarHBondContact O-N 2.69Å; R838-Q842 WeakPolarHBondContact O-CB 3.46Å; R838-Q842 PolarHBondContact O-N 2.91Å |
| 839 | L | 83.8 | Confident | 87.6 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 178.9 | -71.7 | 172.6 | 0 | 0 | 0 | 111.7 | E835 N836 Q842 A843 | E835-L839 HydrophobicContact CG-CD1 4.27Å; E835-L839 WeakPolarHBondContact O-CG 3.22Å; E835-L839 PolarHBondContact O-N 2.76Å; N836-L839 PolarHBondContact O-N 3.15Å; L839-Q842 PolarHBondContact O-N 3.15Å; L839-A843 WeakPolarHBondContact O-CB 3.12Å; L839-A843 PolarHBondContact O-N 3.19Å |
| 840 | R | 85.9 | Confident | 87.5 | Confident | 165 Ų | 165 | 111.5 Ų | 111.5 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.1 | -46.3 | 173.4 | -73.6 | 177.3 | -170 | -157.1 | -1.8 | 112.4 | N836 K837 Q842 A843 E844 | N836-R840 VanDerWaalsContact O-CG 3.3Å; N836-R840 WeakPolarHBondContact O-CG 3.22Å; N836-R840 PolarHBondContact O-N 3.07Å; N836-R840 PolarHBondContact OD1-NE 3.43Å; K837-R840 PolarHBondContact O-N 3.34Å; R840-Q842 VanDerWaalsContact C-N 3.26Å; R840-Q842 PolarHBondContact O-N 3.31Å; R840-A843 WeakPolarHBondContact O-CB 3.06Å; R840-A843 PolarHBondContact O-N 3.04Å; R840-A843 VanDerWaalsContact O-N 3.16Å; R840-E844 PolarHBondContact O-N 2.81Å |
| 841 | Q | 88.3 | Confident | 87.4 | Confident | 121 Ų | 121 | 110.8 Ų | 110.8 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -37.8 | 174.4 | -71.9 | 175.2 | -6.4 | 0 | 0 | 111.8 | K837 R838 E844 I845 | K837-Q841 WeakPolarHBondContact O-CG 3.45Å; K837-Q841 PolarHBondContact O-N 3.15Å; K837-Q841 VanDerWaalsContact O-N 3.1Å; R838-Q841 PolarHBondContact O-N 2.69Å; Q841-E844 PolarHBondContact O-N 3.44Å; Q841-I845 WeakPolarHBondContact O-CD1 3.37Å; Q841-I845 VanDerWaalsContact O-CG1 3.24Å; Q841-I845 WeakPolarHBondContact O-CG1 2.95Å; Q841-I845 PolarHBondContact O-N 2.82Å |
| 842 | Q | 85.6 | Confident | 87.6 | Confident | 85 Ų | 85 | 110.5 Ų | 110.5 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 176.4 | -167 | 174.5 | 22.8 | 0 | 0 | 112.5 | R838 L839 R840 R846 | R838-Q842 WeakPolarHBondContact O-CB 3.46Å; R838-Q842 PolarHBondContact O-N 2.91Å; L839-Q842 PolarHBondContact O-N 3.15Å; R840-Q842 VanDerWaalsContact C-N 3.26Å; R840-Q842 PolarHBondContact O-N 3.31Å; Q842-R846 WeakPolarHBondContact O-CG 3.22Å; Q842-R846 PolarHBondContact O-N 2.93Å; Q842-R846 VanDerWaalsContact O-N 3.08Å |
| 843 | A | 82 | Confident | 87.9 | Confident | 47 Ų | 47 | 106.8 Ų | 106.8 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -48.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | L839 R840 I845 R846 D847 | L839-A843 WeakPolarHBondContact O-CB 3.12Å; L839-A843 PolarHBondContact O-N 3.19Å; R840-A843 WeakPolarHBondContact O-CB 3.06Å; R840-A843 PolarHBondContact O-N 3.04Å; R840-A843 VanDerWaalsContact O-N 3.16Å; A843-I845 VanDerWaalsContact C-N 3.29Å; A843-I845 PolarHBondContact O-N 2.98Å; A843-R846 CarbonylContact O-C 3.57Å; A843-R846 WeakPolarHBondContact O-CA 3.42Å; A843-R846 WeakPolarHBondContact O-CB 3.1Å; A843-R846 PolarHBondContact O-N 2.83Å; A843-D847 PolarHBondContact O-N 2.82Å |
| 844 | E | 89.1 | Confident | 88.1 | Confident | 134 Ų | 134 | 106.7 Ų | 106.7 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57 | -40.4 | 176.3 | -74.2 | 171.4 | -173.8 | 0 | 0 | 112.4 | R840 Q841 R846 D847 S848 | R840-E844 PolarHBondContact O-N 2.81Å; Q841-E844 PolarHBondContact O-N 3.44Å; E844-R846 VanDerWaalsContact C-N 3.35Å; E844-D847 PolarHBondContact O-N 3.3Å; E844-S848 PolarHBondContact O-N 3.47Å |
| 845 | I | 90.8 | Very high | 88.1 | Confident | 91 Ų | 91 | 106 Ų | 106 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | 175.2 | -67.6 | 164.9 | 0 | 0 | 0 | 111.9 | Q841 A843 S848 K849 | Q841-I845 WeakPolarHBondContact O-CD1 3.37Å; Q841-I845 VanDerWaalsContact O-CG1 3.24Å; Q841-I845 WeakPolarHBondContact O-CG1 2.95Å; Q841-I845 PolarHBondContact O-N 2.82Å; A843-I845 VanDerWaalsContact C-N 3.29Å; A843-I845 PolarHBondContact O-N 2.98Å; I845-S848 PolarHBondContact O-OG 2.78Å; I845-S848 VanDerWaalsContact O-OG 3.08Å; I845-K849 HydrophobicContact CG2-CD 4.44Å; I845-K849 VanDerWaalsContact O-CG 3.3Å; I845-K849 WeakPolarHBondContact O-CG 3.13Å; I845-K849 PolarHBondContact O-N 2.8Å |
| 846 | R | 87.7 | Confident | 88.3 | Confident | 162 Ų | 162 | 109.8 Ų | 109.8 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73.2 | -39.3 | 176.3 | -77.9 | -165.5 | -177.4 | -172.5 | 3.8 | 111.4 | Q842 A843 E844 K849 L850 | Q842-R846 WeakPolarHBondContact O-CG 3.22Å; Q842-R846 PolarHBondContact O-N 2.93Å; Q842-R846 VanDerWaalsContact O-N 3.08Å; A843-R846 CarbonylContact O-C 3.57Å; A843-R846 WeakPolarHBondContact O-CA 3.42Å; A843-R846 WeakPolarHBondContact O-CB 3.1Å; A843-R846 PolarHBondContact O-N 2.83Å; E844-R846 VanDerWaalsContact C-N 3.35Å; R846-K849 PolarHBondContact O-N 3.39Å; R846-L850 WeakPolarHBondContact O-CG 3.05Å; R846-L850 PolarHBondContact O-N 2.88Å |
| 847 | D | 88.3 | Confident | 88.6 | Confident | 94 Ų | 94 | 110.2 Ų | 110.2 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.6 | -68.2 | -17 | 0 | 0 | 0 | 110.4 | A843 E844 K849 L850 D851 | A843-D847 PolarHBondContact O-N 2.82Å; E844-D847 PolarHBondContact O-N 3.3Å; D847-K849 VanDerWaalsContact C-N 3.31Å; D847-K849 PolarHBondContact O-N 2.95Å; D847-L850 WeakPolarHBondContact O-CB 3.5Å; D847-L850 PolarHBondContact O-N 3.45Å; D847-L850 VanDerWaalsContact O-N 3.13Å; D847-D851 PolarHBondContact O-N 3.31Å |
| 848 | S | 88.9 | Confident | 88.6 | Confident | 57 Ų | 57 | 106.2 Ų | 106.2 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 175.4 | 83.8 | 0 | 0 | 0 | 0 | 112.5 | E844 I845 D851 D852 | E844-S848 PolarHBondContact O-N 3.47Å; I845-S848 PolarHBondContact O-OG 2.78Å; I845-S848 VanDerWaalsContact O-OG 3.08Å; S848-D851 PolarHBondContact O-N 2.96Å; S848-D852 VanDerWaalsContact O-CG 3.27Å; S848-D852 PolarHBondContact O-N 2.87Å |
| 849 | K | 89.4 | Confident | 88.4 | Confident | 137 Ų | 137 | 101.1 Ų | 101.1 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.1 | -34.5 | 175.9 | -75.3 | 176.2 | -179 | -176.5 | 0 | 112.8 | I845 R846 D847 G853 | I845-K849 HydrophobicContact CG2-CD 4.44Å; I845-K849 VanDerWaalsContact O-CG 3.3Å; I845-K849 WeakPolarHBondContact O-CG 3.13Å; I845-K849 PolarHBondContact O-N 2.8Å; R846-K849 PolarHBondContact O-N 3.39Å; D847-K849 VanDerWaalsContact C-N 3.31Å; D847-K849 PolarHBondContact O-N 2.95Å; K849-G853 PolarHBondContact O-N 3.19Å |
| 850 | L | 86.1 | Confident | 88.6 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67 | -42.1 | 173.5 | -80.1 | 168.1 | 0 | 0 | 0 | 110.5 | R846 D847 G853 N854 | R846-L850 WeakPolarHBondContact O-CG 3.05Å; R846-L850 PolarHBondContact O-N 2.88Å; D847-L850 WeakPolarHBondContact O-CB 3.5Å; D847-L850 PolarHBondContact O-N 3.45Å; D847-L850 VanDerWaalsContact O-N 3.13Å; L850-G853 CarbonylContact O-C 3.57Å; L850-G853 PolarHBondContact O-N 3.01Å; L850-N854 WeakPolarHBondContact O-CB 2.94Å; L850-N854 VanDerWaalsContact O-CG 3.23Å; L850-N854 PolarHBondContact O-N 3.46Å; L850-N854 PolarHBondContact O-ND2 3.47Å |
| 851 | D | 90.6 | Very high | 88.8 | Confident | 93 Ų | 93 | 98 Ų | 98 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 174.4 | -75.2 | -19.4 | 0 | 0 | 0 | 111.9 | D847 S848 G853 N854 Q855 | D847-D851 PolarHBondContact O-N 3.31Å; S848-D851 PolarHBondContact O-N 2.96Å; D851-G853 VanDerWaalsContact C-N 3.32Å; D851-G853 PolarHBondContact O-N 3.35Å; D851-N854 PolarHBondContact O-N 2.96Å; D851-Q855 WeakPolarHBondContact O-CG 3.37Å; D851-Q855 PolarHBondContact O-N 2.89Å |
| 852 | D | 91.5 | Very high | 89 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 173.2 | -70.8 | -20.4 | 0 | 0 | 0 | 111.6 | S848 Q855 R856 | S848-D852 VanDerWaalsContact O-CG 3.27Å; S848-D852 PolarHBondContact O-N 2.87Å; D852-Q855 PolarHBondContact O-N 3.35Å; D852-R856 WeakPolarHBondContact O-CB 3.44Å; D852-R856 PolarHBondContact O-N 2.95Å |
| 853 | G | 89.5 | Confident | 89.1 | Confident | 30 Ų | 30 | 100.9 Ų | 100.9 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K849 L850 D851 R856 I857 | K849-G853 PolarHBondContact O-N 3.19Å; L850-G853 CarbonylContact O-C 3.57Å; L850-G853 PolarHBondContact O-N 3.01Å; D851-G853 VanDerWaalsContact C-N 3.32Å; D851-G853 PolarHBondContact O-N 3.35Å; G853-R856 WeakPolarHBondContact O-CB 3.48Å; G853-R856 PolarHBondContact O-N 3.44Å; G853-I857 WeakPolarHBondContact O-CG1 3.19Å; G853-I857 PolarHBondContact O-N 2.91Å |
| 854 | N | 88.8 | Confident | 89.2 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 177.9 | -74 | -27 | 0 | 0 | 0 | 111.7 | L850 D851 R856 I857 A858 | L850-N854 WeakPolarHBondContact O-CB 2.94Å; L850-N854 VanDerWaalsContact O-CG 3.23Å; L850-N854 PolarHBondContact O-N 3.46Å; L850-N854 PolarHBondContact O-ND2 3.47Å; D851-N854 PolarHBondContact O-N 2.96Å; N854-R856 VanDerWaalsContact C-N 3.32Å; N854-R856 PolarHBondContact O-N 3.16Å; N854-I857 PolarHBondContact O-N 3.18Å; N854-A858 WeakPolarHBondContact O-CB 3.36Å; N854-A858 PolarHBondContact O-N 3.12Å |
| 855 | Q | 92.3 | Very high | 89.3 | Confident | 131 Ų | 131 | 105.9 Ų | 105.9 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 173.8 | -72.3 | 177 | 32.1 | 0 | 0 | 111.6 | D851 D852 A858 A859 | D851-Q855 WeakPolarHBondContact O-CG 3.37Å; D851-Q855 PolarHBondContact O-N 2.89Å; D852-Q855 PolarHBondContact O-N 3.35Å; Q855-A858 PolarHBondContact O-N 2.7Å; Q855-A859 WeakPolarHBondContact O-CB 3.33Å; Q855-A859 PolarHBondContact O-N 2.8Å |
| 856 | R | 92.4 | Very high | 89.3 | Confident | 182 Ų | 182 | 104.5 Ų | 104.5 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -41.1 | 176.6 | -171 | 171.7 | -176.2 | 167 | 0.5 | 112.3 | D852 G853 N854 A859 L860 | D852-R856 WeakPolarHBondContact O-CB 3.44Å; D852-R856 PolarHBondContact O-N 2.95Å; G853-R856 WeakPolarHBondContact O-CB 3.48Å; G853-R856 PolarHBondContact O-N 3.44Å; N854-R856 VanDerWaalsContact C-N 3.32Å; N854-R856 PolarHBondContact O-N 3.16Å; R856-A859 PolarHBondContact O-N 3.31Å; R856-L860 HydrophobicContact CG-CD1 4.28Å; R856-L860 WeakPolarHBondContact O-CB 3.25Å; R856-L860 WeakPolarHBondContact O-CG 3.27Å; R856-L860 PolarHBondContact O-N 2.62Å |
| 857 | I | 87.2 | Confident | 89.2 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 174.4 | -69.4 | 166.1 | 0 | 0 | 0 | 109.8 | G853 N854 A859 L860 E861 | G853-I857 WeakPolarHBondContact O-CG1 3.19Å; G853-I857 PolarHBondContact O-N 2.91Å; N854-I857 PolarHBondContact O-N 3.18Å; I857-A859 VanDerWaalsContact C-N 3.28Å; I857-A859 PolarHBondContact O-N 3.3Å; I857-L860 PolarHBondContact O-N 2.75Å; I857-L860 VanDerWaalsContact O-N 3.16Å; I857-E861 HydrophobicContact CG2-CG 4.3Å; I857-E861 WeakPolarHBondContact O-CG 3.49Å; I857-E861 PolarHBondContact O-N 3.41Å |
| 858 | A | 90.3 | Very high | 89.2 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N854 Q855 K862 | N854-A858 WeakPolarHBondContact O-CB 3.36Å; N854-A858 PolarHBondContact O-N 3.12Å; Q855-A858 PolarHBondContact O-N 2.7Å; A858-K862 WeakPolarHBondContact O-CB 3.32Å; A858-K862 PolarHBondContact O-N 2.68Å; A858-K862 VanDerWaalsContact O-N 3.07Å |
| 859 | A | 88.6 | Confident | 89.4 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -47 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q855 R856 I857 K862 E863 | Q855-A859 WeakPolarHBondContact O-CB 3.33Å; Q855-A859 PolarHBondContact O-N 2.8Å; R856-A859 PolarHBondContact O-N 3.31Å; I857-A859 VanDerWaalsContact C-N 3.28Å; I857-A859 PolarHBondContact O-N 3.3Å; A859-K862 WeakPolarHBondContact O-CB 3.45Å; A859-K862 PolarHBondContact O-N 2.71Å; A859-E863 PolarHBondContact O-N 2.68Å |
| 860 | L | 88.5 | Confident | 89.4 | Confident | 92 Ų | 92 | 100.5 Ų | 100.5 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 177.6 | -73 | 171.2 | 0 | 0 | 0 | 112.2 | R856 I857 K862 E863 N864 | R856-L860 HydrophobicContact CG-CD1 4.28Å; R856-L860 WeakPolarHBondContact O-CB 3.25Å; R856-L860 WeakPolarHBondContact O-CG 3.27Å; R856-L860 PolarHBondContact O-N 2.62Å; I857-L860 PolarHBondContact O-N 2.75Å; I857-L860 VanDerWaalsContact O-N 3.16Å; L860-K862 VanDerWaalsContact C-N 3.34Å; L860-E863 PolarHBondContact O-N 2.67Å; L860-N864 VanDerWaalsContact O-CB 3.27Å; L860-N864 WeakPolarHBondContact O-CB 3.47Å; L860-N864 PolarHBondContact O-N 3.42Å |
| 861 | E | 88.8 | Confident | 89.4 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 173.7 | -76.7 | -174.5 | -177.8 | 0 | 0 | 111.8 | I857 N864 R865 | I857-E861 HydrophobicContact CG2-CG 4.3Å; I857-E861 WeakPolarHBondContact O-CG 3.49Å; I857-E861 PolarHBondContact O-N 3.41Å; E861-N864 PolarHBondContact O-N 3.23Å; E861-R865 WeakPolarHBondContact O-CB 3.31Å; E861-R865 VanDerWaalsContact O-CG 3.26Å; E861-R865 WeakPolarHBondContact O-CG 3.15Å; E861-R865 PolarHBondContact O-N 3.49Å; E861-R865 IonicContact OE2-NH2 3.58Å |
| 862 | K | 92.4 | Very high | 89.3 | Confident | 154 Ų | 154 | 101 Ų | 101 | 67% | 0.67 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 175.4 | -173.7 | -176.9 | 177.4 | -175 | 0 | 110.9 | A858 A859 L860 R865 T866 | A858-K862 WeakPolarHBondContact O-CB 3.32Å; A858-K862 PolarHBondContact O-N 2.68Å; A858-K862 VanDerWaalsContact O-N 3.07Å; A859-K862 WeakPolarHBondContact O-CB 3.45Å; A859-K862 PolarHBondContact O-N 2.71Å; L860-K862 VanDerWaalsContact C-N 3.34Å; K862-R865 PolarHBondContact O-N 3.03Å; K862-T866 PolarHBondContact O-N 3.28Å; K862-T866 PolarHBondContact O-OG1 3.43Å |
| 863 | E | 88.8 | Confident | 89.4 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 175.8 | -170.3 | 176.2 | -175.1 | 0 | 0 | 111.7 | A859 L860 R865 T866 M867 | A859-E863 PolarHBondContact O-N 2.68Å; L860-E863 PolarHBondContact O-N 2.67Å; E863-R865 VanDerWaalsContact C-N 3.34Å; E863-R865 PolarHBondContact O-N 3.26Å; E863-T866 VanDerWaalsContact C-OG1 3.31Å; E863-T866 VanDerWaalsContact CA-OG1 3.25Å; E863-T866 WeakPolarHBondContact CA-OG1 3.5Å; E863-T866 PolarHBondContact O-N 3.45Å; E863-T866 VanDerWaalsContact O-N 3.12Å; E863-T866 PolarHBondContact O-OG1 2.62Å; E863-M867 WeakPolarHBondContact O-CB 3.31Å; E863-M867 WeakPolarHBondContact O-CG 3.41Å; E863-M867 PolarHBondContact O-N 3.37Å |
| 864 | N | 83.3 | Confident | 89.4 | Confident | 119 Ų | 119 | 107.8 Ų | 107.8 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -38.2 | 177.2 | -159.9 | 1.9 | 0 | 0 | 0 | 111.4 | L860 E861 T866 M867 G868 | L860-N864 VanDerWaalsContact O-CB 3.27Å; L860-N864 WeakPolarHBondContact O-CB 3.47Å; L860-N864 PolarHBondContact O-N 3.42Å; E861-N864 PolarHBondContact O-N 3.23Å; N864-T866 VanDerWaalsContact C-N 3.35Å; N864-T866 PolarHBondContact O-N 3.13Å; N864-M867 PolarHBondContact O-N 3.44Å; N864-G868 PolarHBondContact O-N 3.1Å |
| 865 | R | 91 | Very high | 89.5 | Confident | 167 Ų | 167 | 110.6 Ų | 110.6 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | 171.5 | -71.4 | 173.5 | -161.3 | -178.9 | 9.8 | 112.1 | E861 K862 E863 K869 | E861-R865 WeakPolarHBondContact O-CB 3.31Å; E861-R865 VanDerWaalsContact O-CG 3.26Å; E861-R865 WeakPolarHBondContact O-CG 3.15Å; E861-R865 PolarHBondContact O-N 3.49Å; E861-R865 IonicContact OE2-NH2 3.58Å; K862-R865 PolarHBondContact O-N 3.03Å; E863-R865 VanDerWaalsContact C-N 3.34Å; E863-R865 PolarHBondContact O-N 3.26Å; R865-K869 WeakPolarHBondContact O-CG 3.34Å; R865-K869 PolarHBondContact O-N 3.48Å |
| 866 | T | 90.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 108.9 Ų | 108.9 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -44.6 | 175.9 | 45.7 | 0 | 0 | 0 | 0 | 111.7 | K862 E863 N864 G868 K869 E870 | K862-T866 PolarHBondContact O-N 3.28Å; K862-T866 PolarHBondContact O-OG1 3.43Å; E863-T866 VanDerWaalsContact C-OG1 3.31Å; E863-T866 VanDerWaalsContact CA-OG1 3.25Å; E863-T866 WeakPolarHBondContact CA-OG1 3.5Å; E863-T866 PolarHBondContact O-N 3.45Å; E863-T866 VanDerWaalsContact O-N 3.12Å; E863-T866 PolarHBondContact O-OG1 2.62Å; N864-T866 VanDerWaalsContact C-N 3.35Å; N864-T866 PolarHBondContact O-N 3.13Å; T866-G868 VanDerWaalsContact C-N 3.28Å; T866-G868 PolarHBondContact O-N 3.19Å; T866-K869 WeakPolarHBondContact O-CB 3.18Å; T866-K869 PolarHBondContact O-N 2.88Å; T866-E870 PolarHBondContact O-N 3.09Å |
| 867 | M | 86.4 | Confident | 89.4 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 174.1 | -70 | -59.4 | -64.9 | 0 | 0 | 111.5 | E863 N864 K869 E870 M871 | E863-M867 WeakPolarHBondContact O-CB 3.31Å; E863-M867 WeakPolarHBondContact O-CG 3.41Å; E863-M867 PolarHBondContact O-N 3.37Å; N864-M867 PolarHBondContact O-N 3.44Å; M867-K869 VanDerWaalsContact C-N 3.33Å; M867-K869 PolarHBondContact O-N 3.24Å; M867-E870 PolarHBondContact O-N 3.24Å; M867-M871 WeakPolarHBondContact O-CG 3.12Å; M867-M871 PolarHBondContact O-N 2.93Å |
| 868 | G | 88.8 | Confident | 89.4 | Confident | 30 Ų | 30 | 101.5 Ų | 101.5 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | N864 T866 M871 I872 | N864-G868 PolarHBondContact O-N 3.1Å; T866-G868 VanDerWaalsContact C-N 3.28Å; T866-G868 PolarHBondContact O-N 3.19Å; G868-M871 PolarHBondContact O-N 2.88Å; G868-I872 VanDerWaalsContact O-CG1 3.31Å; G868-I872 WeakPolarHBondContact O-CG1 3.48Å; G868-I872 PolarHBondContact O-N 2.96Å |
| 869 | K | 92.3 | Very high | 89.4 | Confident | 148 Ų | 148 | 102 Ų | 102 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 174.3 | -69.9 | 173.9 | -178.1 | -177.9 | 0 | 111.9 | R865 T866 M867 I872 F873 | R865-K869 WeakPolarHBondContact O-CG 3.34Å; R865-K869 PolarHBondContact O-N 3.48Å; T866-K869 WeakPolarHBondContact O-CB 3.18Å; T866-K869 PolarHBondContact O-N 2.88Å; M867-K869 VanDerWaalsContact C-N 3.33Å; M867-K869 PolarHBondContact O-N 3.24Å; K869-I872 PolarHBondContact O-N 3.19Å; K869-F873 PolarHBondContact O-N 3.32Å |
| 870 | E | 89.4 | Confident | 89.6 | Confident | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 175.7 | -70 | 179.7 | -174.3 | 0 | 0 | 111.7 | T866 M867 I872 F873 F874 | T866-E870 PolarHBondContact O-N 3.09Å; M867-E870 PolarHBondContact O-N 3.24Å; E870-I872 VanDerWaalsContact C-N 3.33Å; E870-I872 PolarHBondContact O-N 2.88Å; E870-F873 WeakPolarHBondContact O-CB 3.41Å; E870-F873 PolarHBondContact O-N 3.36Å; E870-F874 HydrophobicContact CB-CD2 4.46Å; E870-F874 HydrophobicContact CB-CE2 4.34Å; E870-F874 WeakPolarHBondContact O-CD2 3.49Å; E870-F874 PolarHBondContact O-N 2.96Å |
| 871 | M | 85.5 | Confident | 89.6 | Confident | 124 Ų | 124 | 107 Ų | 107 | 61% | 0.611 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | 174.2 | -75.7 | -152.5 | 80.5 | 0 | 0 | 112.7 | M867 G868 R875 | M867-M871 WeakPolarHBondContact O-CG 3.12Å; M867-M871 PolarHBondContact O-N 2.93Å; G868-M871 PolarHBondContact O-N 2.88Å; M871-R875 VanDerWaalsContact O-CB 3.29Å; M871-R875 WeakPolarHBondContact O-CB 3.37Å; M871-R875 PolarHBondContact O-N 2.8Å |
| 872 | I | 90.3 | Very high | 89.6 | Confident | 87 Ų | 87 | 108 Ų | 108 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.4 | -67.6 | 164.2 | 0 | 0 | 0 | 109.5 | G868 K869 E870 F874 R875 D876 | G868-I872 VanDerWaalsContact O-CG1 3.31Å; G868-I872 WeakPolarHBondContact O-CG1 3.48Å; G868-I872 PolarHBondContact O-N 2.96Å; K869-I872 PolarHBondContact O-N 3.19Å; E870-I872 VanDerWaalsContact C-N 3.33Å; E870-I872 PolarHBondContact O-N 2.88Å; I872-F874 PolarHBondContact O-N 2.69Å; I872-R875 WeakPolarHBondContact O-CB 3.45Å; I872-R875 PolarHBondContact O-N 3.46Å; I872-R875 VanDerWaalsContact O-N 3.17Å; I872-D876 VanDerWaalsContact O-CG 3.32Å; I872-D876 PolarHBondContact O-N 3.15Å |
| 873 | F | 93 | Very high | 89.6 | Confident | 137 Ų | 137 | 104.8 Ų | 104.8 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.5 | -45.6 | 177 | 177.6 | -95.6 | 0 | 0 | 0 | 113 | K869 E870 R875 D876 S877 | K869-F873 PolarHBondContact O-N 3.32Å; E870-F873 WeakPolarHBondContact O-CB 3.41Å; E870-F873 PolarHBondContact O-N 3.36Å; F873-R875 VanDerWaalsContact C-N 3.32Å; F873-R875 PolarHBondContact O-N 2.84Å; F873-D876 PolarHBondContact O-N 3.33Å; F873-S877 WeakPolarHBondContact O-CB 3.2Å; F873-S877 PolarHBondContact O-N 2.97Å |
| 874 | F | 88.3 | Confident | 89.6 | Confident | 135 Ų | 135 | 104 Ų | 104 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -36.1 | 176.7 | -76.9 | -60.2 | 0 | 0 | 0 | 112.5 | E870 I872 S877 C878 | E870-F874 HydrophobicContact CB-CD2 4.46Å; E870-F874 HydrophobicContact CB-CE2 4.34Å; E870-F874 WeakPolarHBondContact O-CD2 3.49Å; E870-F874 PolarHBondContact O-N 2.96Å; I872-F874 PolarHBondContact O-N 2.69Å; F874-S877 PolarHBondContact O-N 3.23Å; F874-C878 WeakPolarHBondContact O-CB 3.35Å; F874-C878 PolarHBondContact O-N 3.07Å |
| 875 | R | 92.4 | Very high | 89.9 | Confident | 153 Ų | 153 | 103.2 Ų | 103.2 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.1 | -47.4 | 174.8 | -170.3 | -170.7 | -46.3 | -179.9 | 6.1 | 111.1 | M871 I872 F873 S877 C878 T879 | M871-R875 VanDerWaalsContact O-CB 3.29Å; M871-R875 WeakPolarHBondContact O-CB 3.37Å; M871-R875 PolarHBondContact O-N 2.8Å; I872-R875 WeakPolarHBondContact O-CB 3.45Å; I872-R875 PolarHBondContact O-N 3.46Å; I872-R875 VanDerWaalsContact O-N 3.17Å; F873-R875 VanDerWaalsContact C-N 3.32Å; F873-R875 PolarHBondContact O-N 2.84Å; R875-S877 VanDerWaalsContact C-N 3.31Å; R875-S877 PolarHBondContact O-N 3.49Å; R875-C878 WeakPolarHBondContact O-CB 3.49Å; R875-C878 PolarHBondContact O-N 3.12Å; R875-T879 PolarHBondContact O-N 3.02Å; R875-T879 PolarHBondContact O-OG1 2.9Å |
| 876 | D | 92.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 100.9 Ų | 100.9 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 178.4 | -67.2 | -11.5 | 0 | 0 | 0 | 111.5 | I872 F873 T879 R880 | I872-D876 VanDerWaalsContact O-CG 3.32Å; I872-D876 PolarHBondContact O-N 3.15Å; F873-D876 PolarHBondContact O-N 3.33Å; D876-T879 VanDerWaalsContact C-OG1 3.28Å; D876-T879 VanDerWaalsContact CA-OG1 3.26Å; D876-T879 WeakPolarHBondContact CA-OG1 3.25Å; D876-T879 PolarHBondContact O-N 3.44Å; D876-T879 PolarHBondContact O-OG1 3.39Å; D876-R880 WeakPolarHBondContact O-CB 3.39Å; D876-R880 PolarHBondContact O-N 2.72Å |
| 877 | S | 89.9 | Confident | 90 | Very high | 55 Ų | 55 | 103 Ų | 103 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 172.6 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | F873 F874 R875 T879 R880 V881 | F873-S877 WeakPolarHBondContact O-CB 3.2Å; F873-S877 PolarHBondContact O-N 2.97Å; F874-S877 PolarHBondContact O-N 3.23Å; R875-S877 VanDerWaalsContact C-N 3.31Å; R875-S877 PolarHBondContact O-N 3.49Å; S877-T879 PolarHBondContact O-N 3.36Å; S877-R880 WeakPolarHBondContact O-CB 3.39Å; S877-R880 PolarHBondContact O-N 2.82Å; S877-V881 WeakPolarHBondContact O-CG2 3.4Å; S877-V881 PolarHBondContact O-N 3.27Å |
| 878 | C | 86.6 | Confident | 90.1 | Very high | 64 Ų | 64 | 103.6 Ų | 103.6 | 43% | 0.432 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.9 | -172.5 | 0 | 0 | 0 | 0 | 112 | F874 R875 R880 V881 K882 | F874-C878 WeakPolarHBondContact O-CB 3.35Å; F874-C878 PolarHBondContact O-N 3.07Å; R875-C878 WeakPolarHBondContact O-CB 3.49Å; R875-C878 PolarHBondContact O-N 3.12Å; C878-R880 VanDerWaalsContact C-N 3.34Å; C878-V881 PolarHBondContact O-N 3.46Å; C878-K882 WeakPolarHBondContact O-CG 3.41Å; C878-K882 PolarHBondContact O-N 3.36Å |
| 879 | T | 90 | Very high | 90.3 | Very high | 67 Ų | 67 | 108.5 Ų | 108.5 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 173.3 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | R875 D876 S877 V881 K882 D883 | R875-T879 PolarHBondContact O-N 3.02Å; R875-T879 PolarHBondContact O-OG1 2.9Å; D876-T879 VanDerWaalsContact C-OG1 3.28Å; D876-T879 VanDerWaalsContact CA-OG1 3.26Å; D876-T879 WeakPolarHBondContact CA-OG1 3.25Å; D876-T879 PolarHBondContact O-N 3.44Å; D876-T879 PolarHBondContact O-OG1 3.39Å; S877-T879 PolarHBondContact O-N 3.36Å; T879-V881 PolarHBondContact O-N 3.07Å; T879-K882 WeakPolarHBondContact O-CB 3.44Å; T879-K882 PolarHBondContact O-N 3.19Å; T879-D883 PolarHBondContact O-N 2.89Å |
| 880 | R | 92.8 | Very high | 90.3 | Very high | 185 Ų | 185 | 107.5 Ų | 107.5 | 70% | 0.698 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 177.2 | -172.6 | 167.5 | -178.8 | 146.4 | 0.1 | 112.6 | D876 S877 C878 D883 L884 | D876-R880 WeakPolarHBondContact O-CB 3.39Å; D876-R880 PolarHBondContact O-N 2.72Å; S877-R880 WeakPolarHBondContact O-CB 3.39Å; S877-R880 PolarHBondContact O-N 2.82Å; C878-R880 VanDerWaalsContact C-N 3.34Å; R880-D883 PolarHBondContact O-N 2.83Å; R880-L884 HydrophobicContact CG-CD1 4.44Å; R880-L884 WeakPolarHBondContact O-CG 3.26Å; R880-L884 PolarHBondContact O-N 2.73Å |
| 881 | V | 88.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 108.1 Ų | 108.1 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | S877 C878 T879 D883 L884 E885 | S877-V881 WeakPolarHBondContact O-CG2 3.4Å; S877-V881 PolarHBondContact O-N 3.27Å; C878-V881 PolarHBondContact O-N 3.46Å; T879-V881 PolarHBondContact O-N 3.07Å; V881-D883 VanDerWaalsContact C-N 3.29Å; V881-D883 PolarHBondContact O-N 3.29Å; V881-L884 PolarHBondContact O-N 3Å; V881-E885 HydrophobicContact CG1-CG 4.41Å; V881-E885 WeakPolarHBondContact O-CG 3.45Å; V881-E885 PolarHBondContact O-N 3.05Å |
| 882 | K | 89.6 | Confident | 90.6 | Very high | 118 Ų | 118 | 106.8 Ų | 106.8 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 177 | -74.3 | 176.6 | 179.9 | 178.1 | 0 | 112.6 | C878 T879 E885 K886 | C878-K882 WeakPolarHBondContact O-CG 3.41Å; C878-K882 PolarHBondContact O-N 3.36Å; T879-K882 WeakPolarHBondContact O-CB 3.44Å; T879-K882 PolarHBondContact O-N 3.19Å; K882-E885 PolarHBondContact O-N 3.35Å; K882-K886 WeakPolarHBondContact O-CG 3.09Å; K882-K886 PolarHBondContact O-N 2.82Å; K882-K886 VanDerWaalsContact O-N 3.09Å |
| 883 | D | 91.5 | Very high | 90.6 | Very high | 86 Ų | 86 | 109.3 Ų | 109.3 | 46% | 0.46 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 178.1 | -67.4 | -26.8 | 0 | 0 | 0 | 111.7 | T879 R880 V881 E885 K886 E887 | T879-D883 PolarHBondContact O-N 2.89Å; R880-D883 PolarHBondContact O-N 2.83Å; V881-D883 VanDerWaalsContact C-N 3.29Å; V881-D883 PolarHBondContact O-N 3.29Å; D883-E885 VanDerWaalsContact C-N 3.32Å; D883-E885 PolarHBondContact O-N 3.42Å; D883-K886 WeakPolarHBondContact O-CB 3.38Å; D883-K886 PolarHBondContact O-N 3.36Å; D883-K886 IonicContact OD1-NZ 2.84Å; D883-K886 PolarHBondContact OD1-NZ 3.32Å; D883-E887 PolarHBondContact O-N 2.63Å |
| 884 | L | 89.9 | Confident | 90.5 | Very high | 94 Ų | 94 | 107.3 Ų | 107.3 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 171.5 | -71.6 | 171.6 | 0 | 0 | 0 | 112.5 | R880 V881 E887 N888 | R880-L884 HydrophobicContact CG-CD1 4.44Å; R880-L884 WeakPolarHBondContact O-CG 3.26Å; R880-L884 PolarHBondContact O-N 2.73Å; V881-L884 PolarHBondContact O-N 3Å; L884-E887 PolarHBondContact O-N 3.2Å; L884-N888 VanDerWaalsContact O-CB 3.3Å; L884-N888 WeakPolarHBondContact O-CB 3.29Å; L884-N888 PolarHBondContact O-N 3.5Å |
| 885 | E | 88.8 | Confident | 90.6 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 174.1 | -76.7 | 179.4 | 174.8 | 0 | 0 | 112.5 | V881 K882 D883 K889 | V881-E885 HydrophobicContact CG1-CG 4.41Å; V881-E885 WeakPolarHBondContact O-CG 3.45Å; V881-E885 PolarHBondContact O-N 3.05Å; K882-E885 PolarHBondContact O-N 3.35Å; D883-E885 VanDerWaalsContact C-N 3.32Å; D883-E885 PolarHBondContact O-N 3.42Å; E885-K889 WeakPolarHBondContact O-CB 3.48Å; E885-K889 VanDerWaalsContact O-CG 3.28Å; E885-K889 WeakPolarHBondContact O-CG 3.44Å; E885-K889 PolarHBondContact O-N 2.61Å |
| 886 | K | 91.3 | Very high | 90.5 | Very high | 119 Ų | 119 | 98 Ų | 98 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 173.7 | -71 | 170.5 | -168.7 | 159 | 0 | 110.6 | K882 D883 N888 K889 E890 | K882-K886 WeakPolarHBondContact O-CG 3.09Å; K882-K886 PolarHBondContact O-N 2.82Å; K882-K886 VanDerWaalsContact O-N 3.09Å; D883-K886 WeakPolarHBondContact O-CB 3.38Å; D883-K886 PolarHBondContact O-N 3.36Å; D883-K886 IonicContact OD1-NZ 2.84Å; D883-K886 PolarHBondContact OD1-NZ 3.32Å; K886-N888 VanDerWaalsContact C-N 3.32Å; K886-N888 PolarHBondContact O-N 3.15Å; K886-K889 WeakPolarHBondContact O-CB 3.47Å; K886-K889 PolarHBondContact O-N 3.07Å; K886-K889 VanDerWaalsContact O-N 3.12Å; K886-E890 WeakPolarHBondContact O-CG 3.32Å; K886-E890 PolarHBondContact O-N 3.42Å |
| 887 | E | 91.4 | Very high | 90.4 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 177.9 | -170.8 | 179.1 | -176.8 | 0 | 0 | 111 | D883 L884 K889 E890 L891 | D883-E887 PolarHBondContact O-N 2.63Å; L884-E887 PolarHBondContact O-N 3.2Å; E887-K889 PolarHBondContact O-N 3.3Å; E887-E890 WeakPolarHBondContact O-CB 3.38Å; E887-E890 PolarHBondContact O-N 3.12Å; E887-E890 VanDerWaalsContact O-N 3.14Å; E887-L891 HydrophobicContact CG-CD1 4.45Å; E887-L891 WeakPolarHBondContact O-CG 3.42Å; E887-L891 PolarHBondContact O-N 3.39Å |
| 888 | N | 90.3 | Very high | 90.4 | Very high | 102 Ų | 102 | 98.8 Ų | 98.8 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.6 | -167.8 | 19.2 | 0 | 0 | 0 | 112 | L884 K886 E890 L891 V892 | L884-N888 VanDerWaalsContact O-CB 3.3Å; L884-N888 WeakPolarHBondContact O-CB 3.29Å; L884-N888 PolarHBondContact O-N 3.5Å; K886-N888 VanDerWaalsContact C-N 3.32Å; K886-N888 PolarHBondContact O-N 3.15Å; N888-E890 VanDerWaalsContact C-N 3.3Å; N888-E890 PolarHBondContact O-N 3.36Å; N888-L891 PolarHBondContact O-N 3.03Å; N888-V892 WeakPolarHBondContact O-CB 3.41Å; N888-V892 VanDerWaalsContact O-CG2 3.26Å; N888-V892 WeakPolarHBondContact O-CG2 3.39Å; N888-V892 PolarHBondContact O-N 3.15Å |
| 889 | K | 92.6 | Very high | 90.7 | Very high | 133 Ų | 133 | 102.6 Ų | 102.6 | 58% | 0.578 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -38 | 173.5 | -76.3 | 169 | -177.9 | 168.5 | 0 | 112 | E885 K886 E887 K893 | E885-K889 WeakPolarHBondContact O-CB 3.48Å; E885-K889 VanDerWaalsContact O-CG 3.28Å; E885-K889 WeakPolarHBondContact O-CG 3.44Å; E885-K889 PolarHBondContact O-N 2.61Å; K886-K889 WeakPolarHBondContact O-CB 3.47Å; K886-K889 PolarHBondContact O-N 3.07Å; K886-K889 VanDerWaalsContact O-N 3.12Å; E887-K889 PolarHBondContact O-N 3.3Å; K889-K893 VanDerWaalsContact O-CG 3.29Å; K889-K893 WeakPolarHBondContact O-CG 3.49Å; K889-K893 PolarHBondContact O-N 3.09Å |
| 890 | E | 91.8 | Very high | 90.7 | Very high | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -44.7 | 175.4 | -72.2 | 175.5 | -178.3 | 0 | 0 | 111.7 | K886 E887 N888 V892 K893 Q894 | K886-E890 WeakPolarHBondContact O-CG 3.32Å; K886-E890 PolarHBondContact O-N 3.42Å; E887-E890 WeakPolarHBondContact O-CB 3.38Å; E887-E890 PolarHBondContact O-N 3.12Å; E887-E890 VanDerWaalsContact O-N 3.14Å; N888-E890 VanDerWaalsContact C-N 3.3Å; N888-E890 PolarHBondContact O-N 3.36Å; E890-V892 VanDerWaalsContact C-N 3.34Å; E890-V892 PolarHBondContact O-N 3.11Å; E890-K893 WeakPolarHBondContact O-CB 3.39Å; E890-K893 PolarHBondContact O-N 3.43Å; E890-Q894 PolarHBondContact O-N 2.96Å |
| 891 | L | 89.8 | Confident | 90.6 | Very high | 109 Ų | 109 | 100.6 Ų | 100.6 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 174.6 | -71 | 173.6 | 0 | 0 | 0 | 112.2 | E887 N888 Q894 G895 | E887-L891 HydrophobicContact CG-CD1 4.45Å; E887-L891 WeakPolarHBondContact O-CG 3.42Å; E887-L891 PolarHBondContact O-N 3.39Å; N888-L891 PolarHBondContact O-N 3.03Å; L891-Q894 PolarHBondContact O-N 3.42Å; L891-G895 PolarHBondContact O-N 3.45Å |
| 892 | V | 90.8 | Very high | 90.7 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 174.2 | 169 | 0 | 0 | 0 | 0 | 111.2 | N888 E890 G895 S896 | N888-V892 WeakPolarHBondContact O-CB 3.41Å; N888-V892 VanDerWaalsContact O-CG2 3.26Å; N888-V892 WeakPolarHBondContact O-CG2 3.39Å; N888-V892 PolarHBondContact O-N 3.15Å; E890-V892 VanDerWaalsContact C-N 3.34Å; E890-V892 PolarHBondContact O-N 3.11Å; V892-G895 PolarHBondContact O-N 2.82Å; V892-S896 PolarHBondContact O-N 3.19Å |
| 893 | K | 91.1 | Very high | 90.7 | Very high | 140 Ų | 140 | 101.3 Ų | 101.3 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 173.4 | -75.3 | 172.3 | -177.6 | 179 | 0 | 110.8 | K889 E890 S896 I897 | K889-K893 VanDerWaalsContact O-CG 3.29Å; K889-K893 WeakPolarHBondContact O-CG 3.49Å; K889-K893 PolarHBondContact O-N 3.09Å; E890-K893 WeakPolarHBondContact O-CB 3.39Å; E890-K893 PolarHBondContact O-N 3.43Å; K893-S896 WeakPolarHBondContact O-CB 3.28Å; K893-S896 PolarHBondContact O-N 2.83Å; K893-I897 WeakPolarHBondContact O-CG1 3.5Å; K893-I897 PolarHBondContact O-N 3.22Å |
| 894 | Q | 91.2 | Very high | 90.5 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 177.2 | -171.8 | 59.1 | 44.8 | 0 | 0 | 111.2 | E890 L891 S896 I897 D898 | E890-Q894 PolarHBondContact O-N 2.96Å; L891-Q894 PolarHBondContact O-N 3.42Å; Q894-S896 VanDerWaalsContact C-N 3.28Å; Q894-S896 PolarHBondContact O-N 3Å; Q894-I897 WeakPolarHBondContact O-CA 3.45Å; Q894-I897 WeakPolarHBondContact O-CB 3.42Å; Q894-I897 PolarHBondContact O-N 3.42Å; Q894-D898 PolarHBondContact NE2-OD1 3.05Å; Q894-D898 VanDerWaalsContact O-CG 3.25Å; Q894-D898 PolarHBondContact O-N 3.3Å |
| 895 | G | 89.8 | Confident | 90.4 | Very high | 37 Ų | 37 | 100.4 Ų | 100.4 | 38% | 0.381 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L891 V892 K899 | L891-G895 PolarHBondContact O-N 3.45Å; V892-G895 PolarHBondContact O-N 2.82Å; G895-K899 VanDerWaalsContact O-CB 3.3Å; G895-K899 WeakPolarHBondContact O-CB 3.37Å; G895-K899 PolarHBondContact O-N 3.17Å |
| 896 | S | 89.9 | Confident | 90.4 | Very high | 56 Ų | 56 | 104 Ų | 104 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | V892 K893 Q894 K900 | V892-S896 PolarHBondContact O-N 3.19Å; K893-S896 WeakPolarHBondContact O-CB 3.28Å; K893-S896 PolarHBondContact O-N 2.83Å; Q894-S896 VanDerWaalsContact C-N 3.28Å; Q894-S896 PolarHBondContact O-N 3Å; S896-K900 WeakPolarHBondContact O-CG 3.3Å; S896-K900 PolarHBondContact O-N 3.47Å; S896-K900 VanDerWaalsContact O-N 3.12Å |
| 897 | I | 91.2 | Very high | 90.2 | Very high | 88 Ų | 88 | 103.9 Ų | 103.9 | 45% | 0.451 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -51.4 | 175.1 | -68.2 | 164.2 | 0 | 0 | 0 | 108.7 | K893 Q894 K899 K900 T901 | K893-I897 WeakPolarHBondContact O-CG1 3.5Å; K893-I897 PolarHBondContact O-N 3.22Å; Q894-I897 WeakPolarHBondContact O-CA 3.45Å; Q894-I897 WeakPolarHBondContact O-CB 3.42Å; Q894-I897 PolarHBondContact O-N 3.42Å; I897-K899 VanDerWaalsContact C-N 3.27Å; I897-K899 PolarHBondContact O-N 2.92Å; I897-K900 WeakPolarHBondContact O-CA 3.48Å; I897-K900 WeakPolarHBondContact O-CB 3.45Å; I897-K900 PolarHBondContact O-N 3.28Å; I897-T901 PolarHBondContact O-N 2.9Å; I897-T901 PolarHBondContact O-OG1 2.95Å; I897-T901 VanDerWaalsContact O-OG1 3.04Å |
| 898 | D | 89.5 | Confident | 90.1 | Very high | 77 Ų | 77 | 104.1 Ų | 104.1 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.5 | -39.8 | -179.9 | -62.7 | -16.3 | 0 | 0 | 0 | 111.7 | Q894 T901 L902 | Q894-D898 PolarHBondContact NE2-OD1 3.05Å; Q894-D898 VanDerWaalsContact O-CG 3.25Å; Q894-D898 PolarHBondContact O-N 3.3Å; D898-T901 PolarHBondContact O-N 3.35Å; D898-L902 WeakPolarHBondContact O-CB 3.26Å; D898-L902 PolarHBondContact O-N 3.39Å |
| 899 | K | 92.1 | Very high | 90 | Very high | 143 Ų | 143 | 105.3 Ų | 105.3 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 174.4 | -173.7 | 177.4 | 179.8 | 179.8 | 0 | 112.4 | G895 I897 L902 M903 | G895-K899 VanDerWaalsContact O-CB 3.3Å; G895-K899 WeakPolarHBondContact O-CB 3.37Å; G895-K899 PolarHBondContact O-N 3.17Å; I897-K899 VanDerWaalsContact C-N 3.27Å; I897-K899 PolarHBondContact O-N 2.92Å; K899-L902 PolarHBondContact O-N 3Å; K899-M903 WeakPolarHBondContact O-CB 3.39Å; K899-M903 PolarHBondContact O-N 3.1Å |
| 900 | K | 91.4 | Very high | 89.9 | Confident | 141 Ų | 141 | 103 Ų | 103 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -43.2 | 174.8 | -74.9 | 177.1 | -179.6 | -177.9 | 0 | 110.9 | S896 I897 M903 T904 | S896-K900 WeakPolarHBondContact O-CG 3.3Å; S896-K900 PolarHBondContact O-N 3.47Å; S896-K900 VanDerWaalsContact O-N 3.12Å; I897-K900 WeakPolarHBondContact O-CA 3.48Å; I897-K900 WeakPolarHBondContact O-CB 3.45Å; I897-K900 PolarHBondContact O-N 3.28Å; K900-M903 PolarHBondContact O-N 2.74Å; K900-T904 PolarHBondContact O-N 3.18Å; K900-T904 PolarHBondContact O-OG1 3.46Å |
| 901 | T | 89.9 | Confident | 89.5 | Confident | 70 Ų | 70 | 99.8 Ų | 99.8 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.5 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | I897 D898 M903 T904 L905 | I897-T901 PolarHBondContact O-N 2.9Å; I897-T901 PolarHBondContact O-OG1 2.95Å; I897-T901 VanDerWaalsContact O-OG1 3.04Å; D898-T901 PolarHBondContact O-N 3.35Å; T901-M903 VanDerWaalsContact C-N 3.34Å; T901-M903 PolarHBondContact O-N 3.36Å; T901-T904 PolarHBondContact O-N 3.01Å; T901-L905 HydrophobicContact CG2-CD1 4.16Å; T901-L905 WeakPolarHBondContact O-CB 3.36Å; T901-L905 WeakPolarHBondContact O-CG 3.41Å; T901-L905 PolarHBondContact O-N 3.36Å |
| 902 | L | 90.3 | Very high | 89.3 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 175.1 | -88.1 | 167.4 | 0 | 0 | 0 | 112.9 | D898 K899 R906 | D898-L902 WeakPolarHBondContact O-CB 3.26Å; D898-L902 PolarHBondContact O-N 3.39Å; K899-L902 PolarHBondContact O-N 3Å; L902-R906 WeakPolarHBondContact O-CB 3.45Å; L902-R906 VanDerWaalsContact O-CG 3.28Å; L902-R906 WeakPolarHBondContact O-CG 3.29Å; L902-R906 PolarHBondContact O-N 3.08Å |
| 903 | M | 89.4 | Confident | 89.1 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 50% | 0.498 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 175.8 | -170.1 | 172.3 | -70.9 | 0 | 0 | 110.8 | K899 K900 T901 R906 E907 | K899-M903 WeakPolarHBondContact O-CB 3.39Å; K899-M903 PolarHBondContact O-N 3.1Å; K900-M903 PolarHBondContact O-N 2.74Å; T901-M903 VanDerWaalsContact C-N 3.34Å; T901-M903 PolarHBondContact O-N 3.36Å; M903-R906 WeakPolarHBondContact O-CB 3.46Å; M903-R906 PolarHBondContact O-N 3.34Å; M903-E907 WeakPolarHBondContact O-CG 3.38Å; M903-E907 PolarHBondContact O-N 3.43Å |
| 904 | T | 88.3 | Confident | 88.8 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.9 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | K900 T901 R906 E907 E908 | K900-T904 PolarHBondContact O-N 3.18Å; K900-T904 PolarHBondContact O-OG1 3.46Å; T901-T904 PolarHBondContact O-N 3.01Å; T904-R906 VanDerWaalsContact C-N 3.29Å; T904-R906 PolarHBondContact O-N 2.86Å; T904-E907 WeakPolarHBondContact O-CB 3.25Å; T904-E907 PolarHBondContact O-N 3.44Å; T904-E907 VanDerWaalsContact O-N 3.14Å; T904-E908 WeakPolarHBondContact O-CG 3.46Å; T904-E908 PolarHBondContact O-N 2.9Å |
| 905 | L | 88.4 | Confident | 88.5 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 176.8 | -71.3 | 171.3 | 0 | 0 | 0 | 112.4 | T901 L909 | T901-L905 HydrophobicContact CG2-CD1 4.16Å; T901-L905 WeakPolarHBondContact O-CB 3.36Å; T901-L905 WeakPolarHBondContact O-CG 3.41Å; T901-L905 PolarHBondContact O-N 3.36Å; L905-L909 VanDerWaalsContact O-CB 3.25Å; L905-L909 WeakPolarHBondContact O-CB 3.42Å; L905-L909 PolarHBondContact O-N 3.03Å |
| 906 | R | 88 | Confident | 88.2 | Confident | 180 Ų | 180 | 103.6 Ų | 103.6 | 68% | 0.679 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67 | -43.3 | 173.1 | -80.8 | 178.1 | 177 | -178.9 | 0.5 | 111.5 | L902 M903 T904 L909 V910 | L902-R906 WeakPolarHBondContact O-CB 3.45Å; L902-R906 VanDerWaalsContact O-CG 3.28Å; L902-R906 WeakPolarHBondContact O-CG 3.29Å; L902-R906 PolarHBondContact O-N 3.08Å; M903-R906 WeakPolarHBondContact O-CB 3.46Å; M903-R906 PolarHBondContact O-N 3.34Å; T904-R906 VanDerWaalsContact C-N 3.29Å; T904-R906 PolarHBondContact O-N 2.86Å; R906-L909 PolarHBondContact O-N 3.19Å; R906-V910 WeakPolarHBondContact O-CB 3.48Å; R906-V910 VanDerWaalsContact O-CG2 3.24Å; R906-V910 WeakPolarHBondContact O-CG2 3.29Å; R906-V910 PolarHBondContact O-N 3.38Å |
| 907 | E | 88.2 | Confident | 87.9 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 175.5 | -73.9 | 169.9 | -172 | 0 | 0 | 111.3 | M903 T904 V910 S911 | M903-E907 WeakPolarHBondContact O-CG 3.38Å; M903-E907 PolarHBondContact O-N 3.43Å; T904-E907 WeakPolarHBondContact O-CB 3.25Å; T904-E907 PolarHBondContact O-N 3.44Å; T904-E907 VanDerWaalsContact O-N 3.14Å; E907-V910 PolarHBondContact O-N 3.44Å; E907-S911 VanDerWaalsContact O-CB 3.27Å; E907-S911 WeakPolarHBondContact O-CB 3.41Å; E907-S911 PolarHBondContact O-N 3.47Å; E907-S911 PolarHBondContact O-OG 3Å |
| 908 | E | 88.1 | Confident | 87.5 | Confident | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 173.6 | -73.6 | 176.7 | 179.7 | 0 | 0 | 111.4 | T904 V910 S911 E912 | T904-E908 WeakPolarHBondContact O-CG 3.46Å; T904-E908 PolarHBondContact O-N 2.9Å; E908-V910 PolarHBondContact O-N 2.91Å; E908-S911 WeakPolarHBondContact O-CB 3.48Å; E908-S911 PolarHBondContact O-N 3.18Å; E908-E912 WeakPolarHBondContact O-CB 3.3Å; E908-E912 PolarHBondContact O-N 3.09Å |
| 909 | L | 88 | Confident | 87.1 | Confident | 127 Ų | 127 | 108.4 Ų | 108.4 | 67% | 0.665 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 177.9 | -173.5 | 72.1 | 0 | 0 | 0 | 112 | L905 R906 E912 K913 | L905-L909 VanDerWaalsContact O-CB 3.25Å; L905-L909 WeakPolarHBondContact O-CB 3.42Å; L905-L909 PolarHBondContact O-N 3.03Å; R906-L909 PolarHBondContact O-N 3.19Å; L909-E912 PolarHBondContact O-N 3.46Å; L909-K913 VanDerWaalsContact O-CB 3.3Å; L909-K913 WeakPolarHBondContact O-CB 3.36Å; L909-K913 PolarHBondContact O-N 3.35Å |
| 910 | V | 90.2 | Very high | 86.5 | Confident | 83 Ų | 83 | 105.4 Ų | 105.4 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 174.5 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | R906 E907 E908 E912 K913 L914 | R906-V910 WeakPolarHBondContact O-CB 3.48Å; R906-V910 VanDerWaalsContact O-CG2 3.24Å; R906-V910 WeakPolarHBondContact O-CG2 3.29Å; R906-V910 PolarHBondContact O-N 3.38Å; E907-V910 PolarHBondContact O-N 3.44Å; E908-V910 PolarHBondContact O-N 2.91Å; V910-E912 VanDerWaalsContact C-N 3.34Å; V910-E912 PolarHBondContact O-N 3.02Å; V910-K913 PolarHBondContact O-N 3.47Å; V910-L914 HydrophobicContact CG1-CD1 3.89Å; V910-L914 WeakPolarHBondContact O-CB 3.39Å; V910-L914 WeakPolarHBondContact O-CG 3.4Å; V910-L914 PolarHBondContact O-N 3.36Å |
| 911 | S | 84.1 | Confident | 86.2 | Confident | 62 Ų | 62 | 101.5 Ų | 101.5 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 176 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | E907 E908 L914 R915 | E907-S911 VanDerWaalsContact O-CB 3.27Å; E907-S911 WeakPolarHBondContact O-CB 3.41Å; E907-S911 PolarHBondContact O-N 3.47Å; E907-S911 PolarHBondContact O-OG 3Å; E908-S911 WeakPolarHBondContact O-CB 3.48Å; E908-S911 PolarHBondContact O-N 3.18Å; S911-L914 PolarHBondContact O-N 3.13Å; S911-R915 WeakPolarHBondContact O-CB 3.39Å; S911-R915 PolarHBondContact O-N 3.43Å |
| 912 | E | 85.8 | Confident | 85.9 | Confident | 87 Ų | 87 | 101.5 Ų | 101.5 | 41% | 0.407 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 175.9 | -160 | 62.9 | -131.9 | 0 | 0 | 111.6 | E908 L909 V910 R915 T916 | E908-E912 WeakPolarHBondContact O-CB 3.3Å; E908-E912 PolarHBondContact O-N 3.09Å; L909-E912 PolarHBondContact O-N 3.46Å; V910-E912 VanDerWaalsContact C-N 3.34Å; V910-E912 PolarHBondContact O-N 3.02Å; E912-R915 PolarHBondContact O-N 3.14Å; E912-R915 IonicContact OE1-CZ 3.13Å; E912-R915 IonicContact OE1-NH1 3.39Å; E912-R915 PolarHBondContact OE1-NH1 3.08Å; E912-R915 IonicContact OE2-CZ 3.46Å; E912-R915 IonicContact OE2-NH1 3.36Å; E912-R915 PolarHBondContact OE2-NH1 3.17Å; E912-R915 IonicContact OE2-NH2 3.24Å; E912-T916 WeakPolarHBondContact O-CB 3.49Å; E912-T916 PolarHBondContact O-N 3.01Å; E912-T916 PolarHBondContact O-OG1 3.45Å |
| 913 | K | 87.3 | Confident | 85.3 | Confident | 151 Ų | 151 | 101 Ų | 101 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 174.9 | -171.7 | 178 | -179.7 | -178.5 | 0 | 111.4 | L909 V910 T916 Q917 | L909-K913 VanDerWaalsContact O-CB 3.3Å; L909-K913 WeakPolarHBondContact O-CB 3.36Å; L909-K913 PolarHBondContact O-N 3.35Å; V910-K913 PolarHBondContact O-N 3.47Å; K913-T916 PolarHBondContact O-N 3.42Å; K913-Q917 WeakPolarHBondContact O-CB 3.39Å; K913-Q917 PolarHBondContact O-N 3.25Å |
| 914 | L | 84.9 | Confident | 84.8 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 172.8 | -85.1 | 160.3 | 0 | 0 | 0 | 111 | V910 S911 Q917 Q918 | V910-L914 HydrophobicContact CG1-CD1 3.89Å; V910-L914 WeakPolarHBondContact O-CB 3.39Å; V910-L914 WeakPolarHBondContact O-CG 3.4Å; V910-L914 PolarHBondContact O-N 3.36Å; S911-L914 PolarHBondContact O-N 3.13Å; L914-Q917 PolarHBondContact O-N 3.31Å; L914-Q918 VanDerWaalsContact O-CB 3.31Å; L914-Q918 WeakPolarHBondContact O-CB 3.33Å; L914-Q918 PolarHBondContact O-N 3.48Å |
| 915 | R | 85 | Confident | 84.5 | Confident | 152 Ų | 152 | 105 Ų | 105 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 176.3 | -159 | -171.8 | -65 | 140.5 | 1.7 | 111.6 | S911 E912 Q918 M919 | S911-R915 WeakPolarHBondContact O-CB 3.39Å; S911-R915 PolarHBondContact O-N 3.43Å; E912-R915 PolarHBondContact O-N 3.14Å; E912-R915 IonicContact OE1-CZ 3.13Å; E912-R915 IonicContact OE1-NH1 3.39Å; E912-R915 PolarHBondContact OE1-NH1 3.08Å; E912-R915 IonicContact OE2-CZ 3.46Å; E912-R915 IonicContact OE2-NH1 3.36Å; E912-R915 PolarHBondContact OE2-NH1 3.17Å; E912-R915 IonicContact OE2-NH2 3.24Å; R915-Q918 PolarHBondContact O-N 3.01Å; R915-M919 WeakPolarHBondContact O-CB 3.38Å; R915-M919 PolarHBondContact O-N 3.33Å |
| 916 | T | 81.5 | Confident | 83.7 | Confident | 62 Ų | 62 | 104.4 Ų | 104.4 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.9 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | E912 K913 M919 N920 | E912-T916 WeakPolarHBondContact O-CB 3.49Å; E912-T916 PolarHBondContact O-N 3.01Å; E912-T916 PolarHBondContact O-OG1 3.45Å; K913-T916 PolarHBondContact O-N 3.42Å; T916-M919 PolarHBondContact O-N 2.85Å; T916-N920 WeakPolarHBondContact O-CB 3.47Å; T916-N920 PolarHBondContact O-N 2.86Å |
| 917 | Q | 83.9 | Confident | 82.8 | Confident | 104 Ų | 104 | 99.1 Ų | 99.1 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 176.1 | -173.2 | 173.7 | 7.3 | 0 | 0 | 111.5 | K913 L914 M919 N920 N921 | K913-Q917 WeakPolarHBondContact O-CB 3.39Å; K913-Q917 PolarHBondContact O-N 3.25Å; L914-Q917 PolarHBondContact O-N 3.31Å; Q917-M919 VanDerWaalsContact C-N 3.35Å; Q917-N920 PolarHBondContact O-N 2.99Å; Q917-N921 WeakPolarHBondContact O-CB 3.45Å; Q917-N921 PolarHBondContact O-N 2.95Å; Q917-N921 PolarHBondContact O-ND2 3.41Å |
| 918 | Q | 83.6 | Confident | 82.1 | Confident | 98 Ų | 98 | 99.3 Ų | 99.3 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 172.9 | -171.9 | 64.4 | 32.7 | 0 | 0 | 110.5 | L914 R915 N920 N921 D922 | L914-Q918 VanDerWaalsContact O-CB 3.31Å; L914-Q918 WeakPolarHBondContact O-CB 3.33Å; L914-Q918 PolarHBondContact O-N 3.48Å; R915-Q918 PolarHBondContact O-N 3.01Å; Q918-N920 VanDerWaalsContact C-N 3.32Å; Q918-N920 PolarHBondContact O-N 2.93Å; Q918-N921 PolarHBondContact O-N 3.44Å; Q918-D922 PolarHBondContact NE2-OD1 3.14Å; Q918-D922 WeakPolarHBondContact O-CB 3.38Å; Q918-D922 VanDerWaalsContact O-CG 3.22Å; Q918-D922 PolarHBondContact O-N 3.32Å |
| 919 | M | 80.1 | Confident | 81.4 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -37.4 | 175.8 | -163.9 | 172.6 | 82.2 | 0 | 0 | 112.3 | R915 T916 Q917 L923 | R915-M919 WeakPolarHBondContact O-CB 3.38Å; R915-M919 PolarHBondContact O-N 3.33Å; T916-M919 PolarHBondContact O-N 2.85Å; Q917-M919 VanDerWaalsContact C-N 3.35Å; M919-L923 WeakPolarHBondContact O-CB 3.48Å; M919-L923 WeakPolarHBondContact O-CG 3.28Å; M919-L923 PolarHBondContact O-N 3.12Å |
| 920 | N | 81.4 | Confident | 80.1 | Confident | 81 Ų | 81 | 96.5 Ų | 96.5 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 173 | -79.7 | -11.1 | 0 | 0 | 0 | 112.1 | T916 Q917 Q918 D922 L923 E924 | T916-N920 WeakPolarHBondContact O-CB 3.47Å; T916-N920 PolarHBondContact O-N 2.86Å; Q917-N920 PolarHBondContact O-N 2.99Å; Q918-N920 VanDerWaalsContact C-N 3.32Å; Q918-N920 PolarHBondContact O-N 2.93Å; N920-D922 VanDerWaalsContact C-N 3.3Å; N920-D922 PolarHBondContact O-N 3.39Å; N920-L923 CarbonylContact O-C 3.56Å; N920-L923 WeakPolarHBondContact O-CB 3.36Å; N920-L923 PolarHBondContact O-N 3.11Å; N920-E924 WeakPolarHBondContact O-CB 3.39Å; N920-E924 WeakPolarHBondContact O-CG 3.33Å; N920-E924 PolarHBondContact O-N 2.95Å |
| 921 | N | 84.2 | Confident | 78.8 | Confident | 59 Ų | 59 | 96.7 Ų | 96.7 | 32% | 0.316 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 175.3 | -70.7 | -17.6 | 0 | 0 | 0 | 111.1 | Q917 Q918 E924 K925 | Q917-N921 WeakPolarHBondContact O-CB 3.45Å; Q917-N921 PolarHBondContact O-N 2.95Å; Q917-N921 PolarHBondContact O-ND2 3.41Å; Q918-N921 PolarHBondContact O-N 3.44Å; N921-E924 PolarHBondContact O-N 3.43Å; N921-K925 WeakPolarHBondContact O-CB 3.46Å; N921-K925 VanDerWaalsContact O-CG 3.31Å; N921-K925 WeakPolarHBondContact O-CG 3.27Å; N921-K925 PolarHBondContact O-N 3.11Å |
| 922 | D | 82.7 | Confident | 77.9 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.5 | -36.7 | 175.9 | -66.7 | -24.6 | 0 | 0 | 0 | 110.6 | Q918 N920 K925 L926 | Q918-D922 PolarHBondContact NE2-OD1 3.14Å; Q918-D922 WeakPolarHBondContact O-CB 3.38Å; Q918-D922 VanDerWaalsContact O-CG 3.22Å; Q918-D922 PolarHBondContact O-N 3.32Å; N920-D922 VanDerWaalsContact C-N 3.3Å; N920-D922 PolarHBondContact O-N 3.39Å; D922-K925 PolarHBondContact O-N 3.18Å; D922-K925 IonicContact OD1-NZ 3.85Å; D922-L926 VanDerWaalsContact O-CB 3.29Å; D922-L926 WeakPolarHBondContact O-CB 3.41Å; D922-L926 PolarHBondContact O-N 2.99Å |
| 923 | L | 77.8 | Confident | 76.7 | Confident | 91 Ų | 91 | 104 Ų | 104 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 169.3 | -87.5 | 166.2 | 0 | 0 | 0 | 112.4 | M919 N920 L926 T927 | M919-L923 WeakPolarHBondContact O-CB 3.48Å; M919-L923 WeakPolarHBondContact O-CG 3.28Å; M919-L923 PolarHBondContact O-N 3.12Å; N920-L923 CarbonylContact O-C 3.56Å; N920-L923 WeakPolarHBondContact O-CB 3.36Å; N920-L923 PolarHBondContact O-N 3.11Å; L923-L926 PolarHBondContact O-N 3.36Å; L923-T927 VanDerWaalsContact O-CB 3.28Å; L923-T927 WeakPolarHBondContact O-CB 3.24Å; L923-T927 PolarHBondContact O-N 3.3Å; L923-T927 PolarHBondContact O-OG1 3.45Å |
| 924 | E | 80.4 | Confident | 75.2 | Confident | 130 Ų | 130 | 99.4 Ų | 99.4 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 175.6 | -79.4 | -179.7 | -174.3 | 0 | 0 | 110.9 | N920 N921 T927 H928 | N920-E924 WeakPolarHBondContact O-CB 3.39Å; N920-E924 WeakPolarHBondContact O-CG 3.33Å; N920-E924 PolarHBondContact O-N 2.95Å; N921-E924 PolarHBondContact O-N 3.43Å; E924-T927 CarbonylContact O-C 3.24Å; E924-T927 PolarHBondContact O-N 3.49Å; E924-H928 VanDerWaalsContact O-CB 3.32Å; E924-H928 WeakPolarHBondContact O-CB 3.25Å; E924-H928 PolarHBondContact O-N 3.34Å |
| 925 | K | 80.3 | Confident | 73.5 | Confident | 123 Ų | 123 | 98.8 Ų | 98.8 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 172.1 | -75.7 | 174.3 | -173.7 | 169 | 0 | 111.5 | N921 D922 T927 H928 E929 | N921-K925 WeakPolarHBondContact O-CB 3.46Å; N921-K925 VanDerWaalsContact O-CG 3.31Å; N921-K925 WeakPolarHBondContact O-CG 3.27Å; N921-K925 PolarHBondContact O-N 3.11Å; D922-K925 PolarHBondContact O-N 3.18Å; D922-K925 IonicContact OD1-NZ 3.85Å; K925-T927 VanDerWaalsContact C-N 3.31Å; K925-T927 PolarHBondContact O-N 3.19Å; K925-H928 CarbonylContact O-C 3.57Å; K925-H928 PolarHBondContact O-N 3.44Å; K925-E929 WeakPolarHBondContact O-CB 3.41Å; K925-E929 WeakPolarHBondContact O-CG 3.34Å; K925-E929 PolarHBondContact O-N 2.87Å |
| 926 | L | 72.1 | Confident | 71.9 | Confident | 80 Ų | 80 | 95.7 Ų | 95.7 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 176.7 | -145.2 | 82.7 | 0 | 0 | 0 | 110.7 | D922 L923 H928 E929 L930 | D922-L926 VanDerWaalsContact O-CB 3.29Å; D922-L926 WeakPolarHBondContact O-CB 3.41Å; D922-L926 PolarHBondContact O-N 2.99Å; L923-L926 PolarHBondContact O-N 3.36Å; L926-H928 VanDerWaalsContact C-N 3.34Å; L926-E929 PolarHBondContact O-N 2.85Å; L926-L930 VanDerWaalsContact O-CB 3.22Å; L926-L930 WeakPolarHBondContact O-CB 3.39Å; L926-L930 WeakPolarHBondContact O-CD1 3.49Å; L926-L930 WeakPolarHBondContact O-CG 3.42Å; L926-L930 PolarHBondContact O-N 2.83Å |
| 927 | T | 68.9 | Low | 70.4 | Confident | 70 Ų | 70 | 102.1 Ų | 102.1 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | L923 E924 K925 L930 E931 | L923-T927 VanDerWaalsContact O-CB 3.28Å; L923-T927 WeakPolarHBondContact O-CB 3.24Å; L923-T927 PolarHBondContact O-N 3.3Å; L923-T927 PolarHBondContact O-OG1 3.45Å; E924-T927 CarbonylContact O-C 3.24Å; E924-T927 PolarHBondContact O-N 3.49Å; K925-T927 VanDerWaalsContact C-N 3.31Å; K925-T927 PolarHBondContact O-N 3.19Å; T927-L930 PolarHBondContact O-N 2.95Å; T927-E931 WeakPolarHBondContact O-CB 3.37Å; T927-E931 WeakPolarHBondContact O-CG 3.3Å; T927-E931 PolarHBondContact O-N 3.18Å |
| 928 | H | 73.7 | Confident | 68.9 | Low | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.546 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.5 | -37.5 | 177 | -157.7 | 60 | 0 | 0 | 0 | 112.1 | E924 K925 L926 E931 K932 | E924-H928 VanDerWaalsContact O-CB 3.32Å; E924-H928 WeakPolarHBondContact O-CB 3.25Å; E924-H928 PolarHBondContact O-N 3.34Å; K925-H928 CarbonylContact O-C 3.57Å; K925-H928 PolarHBondContact O-N 3.44Å; L926-H928 VanDerWaalsContact C-N 3.34Å; H928-E931 IonicContact ND1-OE2 3.78Å; H928-E931 PolarHBondContact O-N 2.91Å; H928-K932 VanDerWaalsContact O-CB 3.23Å; H928-K932 WeakPolarHBondContact O-CB 3.31Å; H928-K932 PolarHBondContact O-N 3.43Å |
| 929 | E | 72.9 | Confident | 67 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -40 | 170.9 | -77 | -176.1 | 179 | 0 | 0 | 111.2 | K925 L926 K932 I933 | K925-E929 WeakPolarHBondContact O-CB 3.41Å; K925-E929 WeakPolarHBondContact O-CG 3.34Å; K925-E929 PolarHBondContact O-N 2.87Å; L926-E929 PolarHBondContact O-N 2.85Å; E929-K932 PolarHBondContact O-N 2.82Å; E929-I933 WeakPolarHBondContact O-CB 3.45Å; E929-I933 WeakPolarHBondContact O-CD1 3.49Å; E929-I933 WeakPolarHBondContact O-CG1 3.45Å; E929-I933 PolarHBondContact O-N 2.93Å |
| 930 | L | 60.6 | Low | 65.2 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 41% | 0.408 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 173.4 | -72.9 | 166.5 | 0 | 0 | 0 | 111.6 | L926 T927 I933 G934 L935 | L926-L930 VanDerWaalsContact O-CB 3.22Å; L926-L930 WeakPolarHBondContact O-CB 3.39Å; L926-L930 WeakPolarHBondContact O-CD1 3.49Å; L926-L930 WeakPolarHBondContact O-CG 3.42Å; L926-L930 PolarHBondContact O-N 2.83Å; T927-L930 PolarHBondContact O-N 2.95Å; L930-I933 CarbonylContact O-C 3.6Å; L930-I933 PolarHBondContact O-N 3.02Å; L930-G934 PolarHBondContact O-N 3.21Å; L930-L935 HydrophobicContact CD2-CD1 4.35Å; L930-L935 WeakPolarHBondContact O-CB 3.38Å; L930-L935 PolarHBondContact O-N 3.39Å |
| 931 | E | 63.5 | Low | 64 | Low | 86 Ų | 86 | 114.5 Ų | 114.5 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -39.6 | 171.5 | -82.2 | -176.8 | 152.4 | 0 | 0 | 112.2 | T927 H928 I933 G934 | T927-E931 WeakPolarHBondContact O-CB 3.37Å; T927-E931 WeakPolarHBondContact O-CG 3.3Å; T927-E931 PolarHBondContact O-N 3.18Å; H928-E931 IonicContact ND1-OE2 3.78Å; H928-E931 PolarHBondContact O-N 2.91Å; E931-I933 VanDerWaalsContact C-N 3.26Å; E931-I933 PolarHBondContact O-N 3.36Å; E931-G934 PolarHBondContact O-N 3.45Å |
| 932 | K | 66.1 | Low | 62 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 77% | 0.774 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.3 | -21.9 | 178.4 | -149.6 | 175.1 | -169.8 | 179.5 | 0 | 112.8 | H928 E929 G934 | H928-K932 VanDerWaalsContact O-CB 3.23Å; H928-K932 WeakPolarHBondContact O-CB 3.31Å; H928-K932 PolarHBondContact O-N 3.43Å; E929-K932 PolarHBondContact O-N 2.82Å; K932-G934 VanDerWaalsContact C-N 3.35Å |
| 933 | I | 60.5 | Low | 59.9 | Low | 124 Ų | 124 | 123.1 Ų | 123.1 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 4.2 | 172.1 | -61 | 163.5 | 0 | 0 | 0 | 111.1 | E929 L930 E931 | E929-I933 WeakPolarHBondContact O-CB 3.45Å; E929-I933 WeakPolarHBondContact O-CD1 3.49Å; E929-I933 WeakPolarHBondContact O-CG1 3.45Å; E929-I933 PolarHBondContact O-N 2.93Å; L930-I933 CarbonylContact O-C 3.6Å; L930-I933 PolarHBondContact O-N 3.02Å; E931-I933 VanDerWaalsContact C-N 3.26Å; E931-I933 PolarHBondContact O-N 3.36Å |
| 934 | G | 55.4 | Low | 58.5 | Low | 56 Ų | 56 | 127.2 Ų | 127.2 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.4 | 12.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L930 E931 K932 | L930-G934 PolarHBondContact O-N 3.21Å; E931-G934 PolarHBondContact O-N 3.45Å; K932-G934 VanDerWaalsContact C-N 3.35Å |
| 935 | L | 48.5 | Very low | 57.2 | Low | 91 Ų | 91 | 126.8 Ų | 126.8 | 48% | 0.476 | 63% | 0.632 | S | S | . | * | trans | -106.6 | 72.3 | -177.2 | -71.8 | 161.6 | 0 | 0 | 0 | 111 | L930 | L930-L935 HydrophobicContact CD2-CD1 4.35Å; L930-L935 WeakPolarHBondContact O-CB 3.38Å; L930-L935 PolarHBondContact O-N 3.39Å | ||
| 936 | N | 51.6 | Low | 56 | Low | 87 Ų | 87 | 124.8 Ų | 124.8 | 47% | 0.465 | 63% | 0.633 | S | S | . | * | trans | -78.8 | 132.8 | 173.9 | -161.1 | -23.6 | 0 | 0 | 0 | 110.8 | E938 R939 | N936-E938 PolarHBondContact O-N 3.3Å; N936-R939 PolarHBondContact O-N 3Å | ||
| 937 | K | 50.6 | Low | 55.4 | Low | 198 Ų | 198 | 127.4 Ų | 127.4 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -20 | -167.8 | -156.2 | 176.7 | -175.7 | 179.8 | 0 | 113.8 | ||
| 938 | E | 51.6 | Low | 54.9 | Low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 3.2 | 178 | -71.4 | -172.7 | 161 | 0 | 0 | 115 | N936 | N936-E938 PolarHBondContact O-N 3.3Š|
| 939 | R | 45.3 | Very low | 54.3 | Low | 222 Ų | 222 | 133.5 Ų | 133.5 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -136.3 | 10.1 | -178.5 | -104 | -171.2 | -174.1 | -170.4 | 2.5 | 120.7 | N936 | N936-R939 PolarHBondContact O-N 3Š|
| 940 | L | 41.5 | Very low | 53.7 | Low | 97 Ų | 97 | 136 Ų | 136 | 51% | 0.508 | 68% | 0.677 | S | S | . | * | trans | -131.2 | 47.2 | 162.9 | -91.3 | 108.5 | 0 | 0 | 0 | 113 | H942 D943 | L940-H942 WeakPolarHBondContact CD2-O 3.33Å; L940-H942 VanDerWaalsContact CG-O 3.28Å; L940-H942 WeakPolarHBondContact CG-O 3.45Å; L940-H942 PolarHBondContact O-N 2.98Å; L940-D943 HydrophobicContact CD2-CB 3.47Å; L940-D943 VanDerWaalsContact CD2-CB 3.47Å | ||
| 941 | L | 55.5 | Low | 54 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 85% | 0.848 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -64.3 | 3 | 144 | -96.8 | 162.9 | 0 | 0 | 0 | 112.6 | ||
| 942 | H | 42.2 | Very low | 54.2 | Low | 169 Ų | 169 | 140.4 Ų | 140.4 | 78% | 0.782 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -145.7 | 105.1 | 164.8 | -88.9 | 19.5 | 0 | 0 | 0 | 107.1 | L940 | L940-H942 WeakPolarHBondContact CD2-O 3.33Å; L940-H942 VanDerWaalsContact CG-O 3.28Å; L940-H942 WeakPolarHBondContact CG-O 3.45Å; L940-H942 PolarHBondContact O-N 2.98Å |
| 943 | D | 39.6 | Very low | 54 | Low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | -179.2 | 136.5 | 118.9 | -142 | -7.7 | 0 | 0 | 0 | 109.9 | L940 | L940-D943 HydrophobicContact CD2-CB 3.47Å; L940-D943 VanDerWaalsContact CD2-CB 3.47Å | |||
| 944 | E | 48.6 | Very low | 54.5 | Low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 68% | 0.681 | S | S | * | * | trans | -86.6 | 147 | 175.8 | -75.7 | -166.9 | 150.2 | 0 | 0 | 111 | ||||
| 945 | S | 52.7 | Low | 55.3 | Low | 121 Ų | 121 | 137.9 Ų | 137.9 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | trans | 82.7 | 113.9 | 167.1 | 85.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 946 | S | 55.7 | Low | 56.5 | Low | 81 Ų | 81 | 139 Ų | 139 | 57% | 0.566 | 68% | 0.678 | S | S | * | * | trans | -161.6 | 120 | 139.3 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | D948 R949 | S946-D948 PolarHBondContact O-N 3.02Å; S946-R949 PolarHBondContact O-N 3.12Å | ||
| 947 | D | 58 | Low | 57.5 | Low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -9.4 | -175.5 | -154.4 | 21.9 | 0 | 0 | 0 | 113.2 | R949 | D947-R949 VanDerWaalsContact C-N 3.27Å; D947-R949 PolarHBondContact O-N 3.3Å |
| 948 | D | 59.9 | Low | 58.7 | Low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76 | -14.4 | 176.2 | -70.7 | -35.6 | 0 | 0 | 0 | 113.3 | S946 | S946-D948 PolarHBondContact O-N 3.02Å |
| 949 | R | 59.1 | Low | 59.8 | Low | 192 Ų | 192 | 132 Ų | 132 | 73% | 0.725 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.1 | -31.5 | 176.2 | -168.9 | 175.6 | 175.2 | -175.1 | -1.2 | 112.4 | S946 D947 L953 | S946-R949 PolarHBondContact O-N 3.12Å; D947-R949 VanDerWaalsContact C-N 3.27Å; D947-R949 PolarHBondContact O-N 3.3Å; R949-L953 HydrophobicContact CG-CD1 4.22Å; R949-L953 PolarHBondContact O-N 2.85Å |
| 950 | F | 60.4 | Low | 61.3 | Low | 157 Ų | 157 | 126 Ų | 126 | 69% | 0.689 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.3 | -41.2 | -175.9 | -97.2 | -87.1 | 0 | 0 | 0 | 112.9 | L952 L953 E954 | F950-L952 PolarHBondContact O-N 2.94Å; F950-L953 PolarHBondContact O-N 3.35Å; F950-E954 PolarHBondContact O-N 3.23Å |
| 951 | K | 67.3 | Low | 63 | Low | 149 Ų | 149 | 126.2 Ų | 126.2 | 65% | 0.648 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.8 | -32.3 | 179.2 | -78.4 | 177.3 | 177.9 | 167.5 | 0 | 113.9 | T955 | K951-T955 PolarHBondContact O-N 2.88Å; K951-T955 PolarHBondContact O-OG1 2.76Å |
| 952 | L | 67.2 | Low | 64.1 | Low | 107 Ų | 107 | 125.3 Ų | 125.3 | 56% | 0.56 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.3 | -30.1 | 175.7 | -169.4 | 67.4 | 0 | 0 | 0 | 112.3 | F950 K956 | F950-L952 PolarHBondContact O-N 2.94Å; L952-K956 WeakPolarHBondContact O-CB 3.42Å; L952-K956 PolarHBondContact O-N 3Å |
| 953 | L | 63.3 | Low | 65.8 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.9 | -38.6 | 173.7 | -101.5 | 152.1 | 0 | 0 | 0 | 111.8 | R949 F950 K956 L957 | R949-L953 HydrophobicContact CG-CD1 4.22Å; R949-L953 PolarHBondContact O-N 2.85Å; F950-L953 PolarHBondContact O-N 3.35Å; L953-K956 PolarHBondContact O-N 3.04Å; L953-L957 WeakPolarHBondContact O-CB 3.48Å; L953-L957 PolarHBondContact O-N 2.85Å |
| 954 | E | 71.1 | Confident | 67.5 | Low | 133 Ų | 133 | 116.3 Ų | 116.3 | 62% | 0.621 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.1 | -44.7 | -179.1 | -159.6 | 168 | -151.2 | 0 | 0 | 112.3 | F950 K956 L957 E958 | F950-E954 PolarHBondContact O-N 3.23Å; E954-K956 PolarHBondContact O-N 3.27Å; E954-L957 WeakPolarHBondContact O-CB 3.41Å; E954-L957 PolarHBondContact O-N 3.04Å; E954-L957 VanDerWaalsContact O-N 3.13Å; E954-E958 PolarHBondContact O-N 3.23Å |
| 955 | T | 72.4 | Confident | 69 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.8 | -33.1 | 175.3 | 29.9 | 0 | 0 | 0 | 0 | 113.3 | K951 S959 | K951-T955 PolarHBondContact O-N 2.88Å; K951-T955 PolarHBondContact O-OG1 2.76Å; T955-S959 PolarHBondContact O-N 2.98Å; T955-S959 PolarHBondContact O-OG 3.31Å |
| 956 | K | 72.1 | Confident | 70.3 | Confident | 113 Ų | 113 | 111.7 Ų | 111.7 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.4 | -34.4 | 170.1 | -85.1 | -171.3 | 172.2 | -174.9 | 0 | 112 | L952 L953 E954 S959 T960 | L952-K956 WeakPolarHBondContact O-CB 3.42Å; L952-K956 PolarHBondContact O-N 3Å; L953-K956 PolarHBondContact O-N 3.04Å; E954-K956 PolarHBondContact O-N 3.27Å; K956-S959 PolarHBondContact O-OG 3.25Å; K956-T960 WeakPolarHBondContact O-CB 3.33Å; K956-T960 PolarHBondContact O-N 3.12Å; K956-T960 PolarHBondContact O-OG1 3.13Å |
| 957 | L | 73.7 | Confident | 71.5 | Confident | 109 Ų | 109 | 112.8 Ų | 112.8 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.4 | -46.5 | 176.6 | -129 | 103.4 | 0 | 0 | 0 | 111.3 | L953 E954 T960 L961 | L953-L957 WeakPolarHBondContact O-CB 3.48Å; L953-L957 PolarHBondContact O-N 2.85Å; E954-L957 WeakPolarHBondContact O-CB 3.41Å; E954-L957 PolarHBondContact O-N 3.04Å; E954-L957 VanDerWaalsContact O-N 3.13Å; L957-T960 PolarHBondContact O-N 3.19Å; L957-L961 WeakPolarHBondContact O-CB 3.31Å; L957-L961 PolarHBondContact O-N 2.93Å |
| 958 | E | 76.1 | Confident | 72.5 | Confident | 136 Ų | 136 | 112.7 Ų | 112.7 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.3 | -43.4 | -179.5 | -79.6 | -173.7 | 147.1 | 0 | 0 | 113.1 | E954 T960 L961 K962 | E954-E958 PolarHBondContact O-N 3.23Å; E958-T960 VanDerWaalsContact C-N 3.34Å; E958-T960 PolarHBondContact O-N 3.44Å; E958-L961 PolarHBondContact O-N 3.44Å; E958-K962 PolarHBondContact O-N 3.48Å |
| 959 | S | 74.1 | Confident | 73.6 | Confident | 74 Ų | 74 | 112.9 Ų | 112.9 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -36.5 | 177.1 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | T955 K956 S963 | T955-S959 PolarHBondContact O-N 2.98Å; T955-S959 PolarHBondContact O-OG 3.31Å; K956-S959 PolarHBondContact O-OG 3.25Å; S959-S963 PolarHBondContact O-N 2.82Å |
| 960 | T | 76.8 | Confident | 74.7 | Confident | 96 Ų | 96 | 110.7 Ų | 110.7 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -37.4 | 175.4 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | K956 L957 E958 S964 | K956-T960 WeakPolarHBondContact O-CB 3.33Å; K956-T960 PolarHBondContact O-N 3.12Å; K956-T960 PolarHBondContact O-OG1 3.13Å; L957-T960 PolarHBondContact O-N 3.19Å; E958-T960 VanDerWaalsContact C-N 3.34Å; E958-T960 PolarHBondContact O-N 3.44Å; T960-S964 WeakPolarHBondContact O-CB 3.44Å; T960-S964 PolarHBondContact O-N 3.34Å; T960-S964 VanDerWaalsContact O-N 3.09Å |
| 961 | L | 76.5 | Confident | 75.8 | Confident | 102 Ų | 102 | 110.3 Ų | 110.3 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.9 | -39.1 | 178.1 | -127.8 | 143.3 | 0 | 0 | 0 | 111.9 | L957 E958 S964 L965 | L957-L961 WeakPolarHBondContact O-CB 3.31Å; L957-L961 PolarHBondContact O-N 2.93Å; E958-L961 PolarHBondContact O-N 3.44Å; L961-S964 PolarHBondContact O-N 3.27Å; L961-L965 HydrophobicContact CD2-CD1 4.11Å; L961-L965 PolarHBondContact O-N 3.2Å |
| 962 | K | 79.6 | Confident | 76.4 | Confident | 144 Ų | 144 | 107.7 Ų | 107.7 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 177.3 | -167.9 | 176.6 | -179.7 | -177.8 | 0 | 112.6 | E958 S964 L965 E966 | E958-K962 PolarHBondContact O-N 3.48Å; K962-S964 VanDerWaalsContact C-N 3.33Å; K962-S964 PolarHBondContact O-N 2.86Å; K962-L965 PolarHBondContact O-N 2.85Å; K962-E966 PolarHBondContact O-N 2.91Å; K962-E966 VanDerWaalsContact O-N 3.13Å |
| 963 | S | 77.9 | Confident | 77.1 | Confident | 61 Ų | 61 | 105.3 Ų | 105.3 | 43% | 0.427 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 112.5 | S959 L965 E966 I967 | S959-S963 PolarHBondContact O-N 2.82Å; S963-L965 VanDerWaalsContact C-N 3.34Å; S963-L965 PolarHBondContact O-N 3.14Å; S963-E966 PolarHBondContact O-N 2.83Å; S963-I967 WeakPolarHBondContact O-CG1 3.5Å; S963-I967 PolarHBondContact O-N 3.49Å |
| 964 | S | 75.3 | Confident | 78 | Confident | 60 Ų | 60 | 103.9 Ų | 103.9 | 42% | 0.42 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.6 | -33.9 | 175.3 | -172 | 0 | 0 | 0 | 0 | 112.9 | T960 L961 K962 K968 | T960-S964 WeakPolarHBondContact O-CB 3.44Å; T960-S964 PolarHBondContact O-N 3.34Å; T960-S964 VanDerWaalsContact O-N 3.09Å; L961-S964 PolarHBondContact O-N 3.27Å; K962-S964 VanDerWaalsContact C-N 3.33Å; K962-S964 PolarHBondContact O-N 2.86Å; S964-K968 WeakPolarHBondContact O-CG 3.4Å; S964-K968 PolarHBondContact O-N 3.25Å |
| 965 | L | 80.5 | Confident | 78.4 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 48% | 0.482 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -45.6 | 175.1 | -87.1 | 158.9 | 0 | 0 | 0 | 112.1 | L961 K962 S963 I967 K968 E969 | L961-L965 HydrophobicContact CD2-CD1 4.11Å; L961-L965 PolarHBondContact O-N 3.2Å; K962-L965 PolarHBondContact O-N 2.85Å; S963-L965 VanDerWaalsContact C-N 3.34Å; S963-L965 PolarHBondContact O-N 3.14Å; L965-I967 PolarHBondContact O-N 3.5Å; L965-K968 PolarHBondContact O-N 3.07Å; L965-K968 VanDerWaalsContact O-N 3.12Å; L965-E969 PolarHBondContact O-N 3.43Å |
| 966 | E | 79.4 | Confident | 79 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.6 | -82.1 | 172.2 | 172.2 | 0 | 0 | 112.3 | K962 S963 K968 E969 E970 | K962-E966 PolarHBondContact O-N 2.91Å; K962-E966 VanDerWaalsContact O-N 3.13Å; S963-E966 PolarHBondContact O-N 2.83Å; E966-K968 VanDerWaalsContact C-N 3.26Å; E966-K968 PolarHBondContact O-N 3.46Å; E966-E969 PolarHBondContact O-N 3.09Å; E966-E970 PolarHBondContact O-N 3.24Å |
| 967 | I | 80.4 | Confident | 79.5 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -33.9 | 177.3 | -66.2 | 167.2 | 0 | 0 | 0 | 111.5 | S963 L965 K971 | S963-I967 WeakPolarHBondContact O-CG1 3.5Å; S963-I967 PolarHBondContact O-N 3.49Å; L965-I967 PolarHBondContact O-N 3.5Å; I967-K971 WeakPolarHBondContact O-CB 3.35Å; I967-K971 PolarHBondContact O-N 2.85Å |
| 968 | K | 80.3 | Confident | 80 | Confident | 133 Ų | 133 | 106.4 Ų | 106.4 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.7 | -39.2 | 176.8 | -78.9 | -174.9 | 179.3 | -176.1 | 0 | 112 | S964 L965 E966 K971 I972 | S964-K968 WeakPolarHBondContact O-CG 3.4Å; S964-K968 PolarHBondContact O-N 3.25Å; L965-K968 PolarHBondContact O-N 3.07Å; L965-K968 VanDerWaalsContact O-N 3.12Å; E966-K968 VanDerWaalsContact C-N 3.26Å; E966-K968 PolarHBondContact O-N 3.46Å; K968-K971 PolarHBondContact O-N 3.37Å; K968-I972 VanDerWaalsContact O-CG1 3.25Å; K968-I972 WeakPolarHBondContact O-CG1 3.47Å; K968-I972 PolarHBondContact O-N 2.72Å |
| 969 | E | 81.3 | Confident | 80.3 | Confident | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.4 | -43.9 | 176.5 | -73.3 | -179.6 | 169.1 | 0 | 0 | 111.9 | L965 E966 K971 I972 A973 | L965-E969 PolarHBondContact O-N 3.43Å; E966-E969 PolarHBondContact O-N 3.09Å; E969-K971 VanDerWaalsContact C-N 3.32Å; E969-K971 PolarHBondContact O-N 2.87Å; E969-I972 PolarHBondContact O-N 2.79Å; E969-A973 PolarHBondContact O-N 3.24Å |
| 970 | E | 82.3 | Confident | 80.9 | Confident | 146 Ų | 146 | 108.2 Ų | 108.2 | 68% | 0.682 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.1 | -39.6 | 174.6 | -73.5 | -175.4 | 167.3 | 0 | 0 | 112.5 | E966 A973 A974 | E966-E970 PolarHBondContact O-N 3.24Å; E970-A973 PolarHBondContact O-N 3.01Å; E970-A974 WeakPolarHBondContact O-CB 3.07Å; E970-A974 PolarHBondContact O-N 3.48Å |
| 971 | K | 83.9 | Confident | 81.2 | Confident | 149 Ų | 149 | 110.5 Ų | 110.5 | 65% | 0.648 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.3 | -33.8 | -180 | -155.9 | 171.7 | -171.7 | 175.6 | 0 | 112.3 | I967 K968 E969 L975 | I967-K971 WeakPolarHBondContact O-CB 3.35Å; I967-K971 PolarHBondContact O-N 2.85Å; K968-K971 PolarHBondContact O-N 3.37Å; E969-K971 VanDerWaalsContact C-N 3.32Å; E969-K971 PolarHBondContact O-N 2.87Å; K971-L975 VanDerWaalsContact O-CG 3.29Å; K971-L975 WeakPolarHBondContact O-CG 3.22Å; K971-L975 PolarHBondContact O-N 3.43Å |
| 972 | I | 81.1 | Confident | 81.4 | Confident | 94 Ų | 94 | 108.8 Ų | 108.8 | 48% | 0.482 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.6 | -48 | 173 | -70.7 | 166 | 0 | 0 | 0 | 109.7 | K968 E969 A974 L975 E976 | K968-I972 VanDerWaalsContact O-CG1 3.25Å; K968-I972 WeakPolarHBondContact O-CG1 3.47Å; K968-I972 PolarHBondContact O-N 2.72Å; E969-I972 PolarHBondContact O-N 2.79Å; I972-A974 VanDerWaalsContact C-N 3.33Å; I972-A974 PolarHBondContact O-N 3.43Å; I972-L975 PolarHBondContact O-N 3.49Å; I972-L975 VanDerWaalsContact O-N 3.11Å; I972-E976 HydrophobicContact CG2-CG 4.42Å; I972-E976 WeakPolarHBondContact O-CG 3.36Å; I972-E976 PolarHBondContact O-N 2.62Å |
| 973 | A | 81.4 | Confident | 81.7 | Confident | 56 Ų | 56 | 105.1 Ų | 105.1 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.2 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E969 E970 L975 E976 A977 | E969-A973 PolarHBondContact O-N 3.24Å; E970-A973 PolarHBondContact O-N 3.01Å; A973-L975 PolarHBondContact O-N 2.82Å; A973-E976 PolarHBondContact O-N 3.04Å; A973-A977 PolarHBondContact O-N 3.31Å; A973-A977 VanDerWaalsContact O-N 3.11Å |
| 974 | A | 81.4 | Confident | 82.1 | Confident | 61 Ų | 61 | 106.2 Ų | 106.2 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.5 | -34.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E970 I972 R978 | E970-A974 WeakPolarHBondContact O-CB 3.07Å; E970-A974 PolarHBondContact O-N 3.48Å; I972-A974 VanDerWaalsContact C-N 3.33Å; I972-A974 PolarHBondContact O-N 3.43Å; A974-R978 PolarHBondContact O-N 3.48Å |
| 975 | L | 80.9 | Confident | 82.6 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.6 | -38.5 | 176.4 | -74.4 | 170.9 | 0 | 0 | 0 | 111.9 | K971 I972 A973 R978 L979 | K971-L975 VanDerWaalsContact O-CG 3.29Å; K971-L975 WeakPolarHBondContact O-CG 3.22Å; K971-L975 PolarHBondContact O-N 3.43Å; I972-L975 PolarHBondContact O-N 3.49Å; I972-L975 VanDerWaalsContact O-N 3.11Å; A973-L975 PolarHBondContact O-N 2.82Å; L975-R978 PolarHBondContact O-N 3.32Å; L975-L979 PolarHBondContact O-N 3.26Å |
| 976 | E | 83.3 | Confident | 82.6 | Confident | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.9 | -41 | 175 | -72.3 | 177.5 | 165.7 | 0 | 0 | 111.7 | I972 A973 L979 Q980 | I972-E976 HydrophobicContact CG2-CG 4.42Å; I972-E976 WeakPolarHBondContact O-CG 3.36Å; I972-E976 PolarHBondContact O-N 2.62Å; A973-E976 PolarHBondContact O-N 3.04Å; E976-L979 PolarHBondContact O-N 2.99Å; E976-Q980 PolarHBondContact O-N 2.81Å; E976-Q980 VanDerWaalsContact O-N 3.08Å |
| 977 | A | 84.1 | Confident | 82.8 | Confident | 59 Ų | 59 | 108.6 Ų | 108.6 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A973 L979 Q980 E981 | A973-A977 PolarHBondContact O-N 3.31Å; A973-A977 VanDerWaalsContact O-N 3.11Å; A977-L979 VanDerWaalsContact C-N 3.35Å; A977-L979 PolarHBondContact O-N 2.92Å; A977-Q980 PolarHBondContact O-N 3.2Å; A977-E981 PolarHBondContact O-N 2.84Å; A977-E981 VanDerWaalsContact O-N 3.13Å |
| 978 | R | 83.7 | Confident | 82.9 | Confident | 189 Ų | 189 | 109.1 Ų | 109.1 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -36.4 | 176.3 | -97.5 | -177.3 | 168 | 176.6 | -2.1 | 113 | A974 L975 Q980 S982 | A974-R978 PolarHBondContact O-N 3.48Å; L975-R978 PolarHBondContact O-N 3.32Å; R978-Q980 VanDerWaalsContact C-N 3.33Å; R978-S982 PolarHBondContact O-N 3.35Å; R978-S982 VanDerWaalsContact O-N 3.14Å |
| 979 | L | 83 | Confident | 82.9 | Confident | 132 Ų | 132 | 106.9 Ų | 106.9 | 69% | 0.691 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.9 | -39.3 | 177 | -169.6 | 69.7 | 0 | 0 | 0 | 110.9 | L975 E976 A977 S982 S983 | L975-L979 PolarHBondContact O-N 3.26Å; E976-L979 PolarHBondContact O-N 2.99Å; A977-L979 VanDerWaalsContact C-N 3.35Å; A977-L979 PolarHBondContact O-N 2.92Å; L979-S982 PolarHBondContact O-N 2.78Å; L979-S983 WeakPolarHBondContact O-CB 3.39Å; L979-S983 PolarHBondContact O-N 3.4Å |
| 980 | Q | 85.8 | Confident | 82.9 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -41.7 | 177.4 | -167.2 | 65.4 | 11.2 | 0 | 0 | 112.6 | E976 A977 R978 S983 N984 | E976-Q980 PolarHBondContact O-N 2.81Å; E976-Q980 VanDerWaalsContact O-N 3.08Å; A977-Q980 PolarHBondContact O-N 3.2Å; R978-Q980 VanDerWaalsContact C-N 3.33Å; Q980-S983 PolarHBondContact O-N 3.44Å; Q980-N984 PolarHBondContact O-N 3.29Å; Q980-N984 VanDerWaalsContact O-N 3.1Å |
| 981 | E | 83.9 | Confident | 82.9 | Confident | 143 Ų | 143 | 108.7 Ų | 108.7 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60 | -45.9 | 173.4 | -88.5 | -175.4 | 156.4 | 0 | 0 | 112.4 | A977 S983 N984 L985 | A977-E981 PolarHBondContact O-N 2.84Å; A977-E981 VanDerWaalsContact O-N 3.13Å; E981-S983 VanDerWaalsContact C-N 3.32Å; E981-S983 PolarHBondContact O-N 2.89Å; E981-N984 PolarHBondContact O-N 2.85Å; E981-L985 PolarHBondContact O-N 2.79Å; E981-L985 VanDerWaalsContact O-N 3.08Å |
| 982 | S | 80.2 | Confident | 82.7 | Confident | 66 Ų | 66 | 107 Ų | 107 | 46% | 0.462 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 178.2 | -177 | 0 | 0 | 0 | 0 | 112.4 | R978 L979 N986 | R978-S982 PolarHBondContact O-N 3.35Å; R978-S982 VanDerWaalsContact O-N 3.14Å; L979-S982 PolarHBondContact O-N 2.78Å; S982-N986 PolarHBondContact O-N 2.74Å; S982-N986 VanDerWaalsContact O-N 3.12Å |
| 983 | S | 85.3 | Confident | 82.6 | Confident | 68 Ų | 68 | 108.5 Ų | 108.5 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -46 | 176.1 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | L979 Q980 E981 N986 Q987 | L979-S983 WeakPolarHBondContact O-CB 3.39Å; L979-S983 PolarHBondContact O-N 3.4Å; Q980-S983 PolarHBondContact O-N 3.44Å; E981-S983 VanDerWaalsContact C-N 3.32Å; E981-S983 PolarHBondContact O-N 2.89Å; S983-N986 PolarHBondContact O-N 2.66Å; S983-Q987 PolarHBondContact O-N 2.96Å; S983-Q987 VanDerWaalsContact O-N 3.11Å |
| 984 | N | 87.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 113.7 Ų | 113.7 | 44% | 0.444 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -44.1 | 178.3 | -73.8 | -15.7 | 0 | 0 | 0 | 112.2 | Q980 E981 N986 Q987 Q988 | Q980-N984 PolarHBondContact O-N 3.29Å; Q980-N984 VanDerWaalsContact O-N 3.1Å; E981-N984 PolarHBondContact O-N 2.85Å; N984-N986 VanDerWaalsContact C-N 3.32Å; N984-N986 PolarHBondContact O-N 3.17Å; N984-Q987 WeakPolarHBondContact O-CB 3.29Å; N984-Q987 PolarHBondContact O-N 3.27Å; N984-Q987 VanDerWaalsContact O-N 3.15Å; N984-Q988 PolarHBondContact O-N 3.13Å; N984-Q988 VanDerWaalsContact O-N 3.09Å |
| 985 | L | 84.7 | Confident | 82.3 | Confident | 103 Ų | 103 | 114.6 Ų | 114.6 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -40.5 | 178.3 | -171.3 | 69.5 | 0 | 0 | 0 | 111.8 | E981 Q987 Q988 L989 | E981-L985 PolarHBondContact O-N 2.79Å; E981-L985 VanDerWaalsContact O-N 3.08Å; L985-Q987 VanDerWaalsContact C-N 3.32Å; L985-Q987 PolarHBondContact O-N 3.33Å; L985-Q988 PolarHBondContact O-N 3.47Å; L985-L989 PolarHBondContact O-N 3.47Å; L985-L989 VanDerWaalsContact O-N 3.07Å |
| 986 | N | 80.3 | Confident | 82.1 | Confident | 87 Ų | 87 | 113 Ų | 113 | 47% | 0.465 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -36.7 | 175.4 | -112.7 | -56.9 | 0 | 0 | 0 | 112.5 | S982 S983 N984 Q988 R990 | S982-N986 PolarHBondContact O-N 2.74Å; S982-N986 VanDerWaalsContact O-N 3.12Å; S983-N986 PolarHBondContact O-N 2.66Å; N984-N986 VanDerWaalsContact C-N 3.32Å; N984-N986 PolarHBondContact O-N 3.17Å; N986-Q988 VanDerWaalsContact C-N 3.33Å; N986-R990 WeakPolarHBondContact O-CG 3.28Å; N986-R990 PolarHBondContact O-N 3.32Å |
| 987 | Q | 84.1 | Confident | 81.6 | Confident | 122 Ų | 122 | 109.9 Ų | 109.9 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.2 | -36.1 | 177.8 | -153.1 | 175.7 | 20.4 | 0 | 0 | 111.6 | S983 N984 L985 R990 Q991 | S983-Q987 PolarHBondContact O-N 2.96Å; S983-Q987 VanDerWaalsContact O-N 3.11Å; N984-Q987 WeakPolarHBondContact O-CB 3.29Å; N984-Q987 PolarHBondContact O-N 3.27Å; N984-Q987 VanDerWaalsContact O-N 3.15Å; L985-Q987 VanDerWaalsContact C-N 3.32Å; L985-Q987 PolarHBondContact O-N 3.33Å; Q987-R990 PolarHBondContact O-N 2.9Å; Q987-Q991 PolarHBondContact O-N 3.04Å |
| 988 | Q | 82.8 | Confident | 81.1 | Confident | 113 Ų | 113 | 114.8 Ų | 114.8 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67 | -48 | 177.1 | -150.2 | 168.9 | 5.9 | 0 | 0 | 111.8 | N984 L985 N986 R990 Q991 E992 | N984-Q988 PolarHBondContact O-N 3.13Å; N984-Q988 VanDerWaalsContact O-N 3.09Å; L985-Q988 PolarHBondContact O-N 3.47Å; N986-Q988 VanDerWaalsContact C-N 3.33Å; Q988-R990 VanDerWaalsContact C-N 3.27Å; Q988-R990 PolarHBondContact O-N 3.31Å; Q988-Q991 WeakPolarHBondContact O-CB 3.32Å; Q988-Q991 PolarHBondContact O-N 3.47Å; Q988-E992 PolarHBondContact O-N 3.28Å; Q988-E992 VanDerWaalsContact O-N 3.13Å |
| 989 | L | 81.1 | Confident | 80.6 | Confident | 87 Ų | 87 | 111.5 Ų | 111.5 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.6 | -36.6 | 174.9 | -77.3 | 164.3 | 0 | 0 | 0 | 112.8 | L985 Q991 E992 L993 | L985-L989 PolarHBondContact O-N 3.47Å; L985-L989 VanDerWaalsContact O-N 3.07Å; L989-Q991 VanDerWaalsContact C-N 3.33Å; L989-Q991 PolarHBondContact O-N 3.44Å; L989-E992 PolarHBondContact O-N 2.81Å; L989-L993 PolarHBondContact O-N 3.33Å; L989-L993 VanDerWaalsContact O-N 3.1Å |
| 990 | R | 81.4 | Confident | 80.1 | Confident | 182 Ų | 182 | 111.6 Ų | 111.6 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68 | -30.1 | 175.9 | -75.8 | 179.8 | 179.8 | -147.2 | 0.7 | 113.2 | N986 Q987 Q988 K994 | N986-R990 WeakPolarHBondContact O-CG 3.28Å; N986-R990 PolarHBondContact O-N 3.32Å; Q987-R990 PolarHBondContact O-N 2.9Å; Q988-R990 VanDerWaalsContact C-N 3.27Å; Q988-R990 PolarHBondContact O-N 3.31Å; R990-K994 PolarHBondContact O-N 3.47Å |
| 991 | Q | 81.4 | Confident | 79.4 | Confident | 131 Ų | 131 | 110.8 Ų | 110.8 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.3 | -42.4 | 174.9 | -72.2 | -180 | -2.2 | 0 | 0 | 111.1 | Q987 Q988 L989 L993 K994 T995 | Q987-Q991 PolarHBondContact O-N 3.04Å; Q988-Q991 WeakPolarHBondContact O-CB 3.32Å; Q988-Q991 PolarHBondContact O-N 3.47Å; L989-Q991 VanDerWaalsContact C-N 3.33Å; L989-Q991 PolarHBondContact O-N 3.44Å; Q991-L993 PolarHBondContact O-N 2.82Å; Q991-K994 WeakPolarHBondContact O-CB 3.23Å; Q991-K994 PolarHBondContact O-N 2.8Å; Q991-K994 VanDerWaalsContact O-N 3.15Å; Q991-T995 PolarHBondContact O-N 3.22Å; Q991-T995 VanDerWaalsContact O-N 3.15Å; Q991-T995 PolarHBondContact O-OG1 2.79Å |
| 992 | E | 80.8 | Confident | 78.8 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 52% | 0.523 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.8 | -43.1 | 177.7 | -70.5 | -179.3 | 175.1 | 0 | 0 | 112.5 | Q988 L989 K994 T995 V996 | Q988-E992 PolarHBondContact O-N 3.28Å; Q988-E992 VanDerWaalsContact O-N 3.13Å; L989-E992 PolarHBondContact O-N 2.81Å; E992-K994 VanDerWaalsContact C-N 3.28Å; E992-K994 PolarHBondContact O-N 2.85Å; E992-T995 VanDerWaalsContact CA-OG1 3.32Å; E992-T995 WeakPolarHBondContact CA-OG1 3.46Å; E992-T995 PolarHBondContact O-N 3.41Å; E992-T995 VanDerWaalsContact O-N 3.15Å; E992-T995 PolarHBondContact O-OG1 3.25Å; E992-V996 WeakPolarHBondContact O-CG2 3.45Å; E992-V996 PolarHBondContact O-N 3.38Å; E992-V996 VanDerWaalsContact O-N 3.07Å |
| 993 | L | 78.2 | Confident | 78.2 | Confident | 127 Ų | 127 | 109.4 Ų | 109.4 | 67% | 0.665 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60 | -36.4 | 174 | -88.8 | 156.8 | 0 | 0 | 0 | 112.8 | L989 Q991 S997 | L989-L993 PolarHBondContact O-N 3.33Å; L989-L993 VanDerWaalsContact O-N 3.1Å; Q991-L993 PolarHBondContact O-N 2.82Å; L993-S997 PolarHBondContact O-N 2.84Å |
| 994 | K | 79.3 | Confident | 77.5 | Confident | 164 Ų | 164 | 112.7 Ų | 112.7 | 71% | 0.713 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.2 | -34.4 | 176.2 | -110.1 | -179.5 | 179.5 | 179.2 | 0 | 112.6 | R990 Q991 E992 K998 | R990-K994 PolarHBondContact O-N 3.47Å; Q991-K994 WeakPolarHBondContact O-CB 3.23Å; Q991-K994 PolarHBondContact O-N 2.8Å; Q991-K994 VanDerWaalsContact O-N 3.15Å; E992-K994 VanDerWaalsContact C-N 3.28Å; E992-K994 PolarHBondContact O-N 2.85Å; K994-K998 PolarHBondContact O-N 3.46Å |
| 995 | T | 76.8 | Confident | 76.7 | Confident | 81 Ų | 81 | 112.7 Ų | 112.7 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72 | -41 | 176.3 | 35.3 | 0 | 0 | 0 | 0 | 112.5 | Q991 E992 S997 K998 I999 | Q991-T995 PolarHBondContact O-N 3.22Å; Q991-T995 VanDerWaalsContact O-N 3.15Å; Q991-T995 PolarHBondContact O-OG1 2.79Å; E992-T995 VanDerWaalsContact CA-OG1 3.32Å; E992-T995 WeakPolarHBondContact CA-OG1 3.46Å; E992-T995 PolarHBondContact O-N 3.41Å; E992-T995 VanDerWaalsContact O-N 3.15Å; E992-T995 PolarHBondContact O-OG1 3.25Å; T995-S997 PolarHBondContact O-N 2.83Å; T995-K998 PolarHBondContact O-N 3.38Å; T995-I999 WeakPolarHBondContact O-CG1 3.35Å; T995-I999 PolarHBondContact O-N 2.76Å |
| 996 | V | 76.1 | Confident | 76 | Confident | 79 Ų | 79 | 112 Ų | 112 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -44.5 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111 | E992 K998 I999 E1000 | E992-V996 WeakPolarHBondContact O-CG2 3.45Å; E992-V996 PolarHBondContact O-N 3.38Å; E992-V996 VanDerWaalsContact O-N 3.07Å; V996-K998 VanDerWaalsContact C-N 3.29Å; V996-K998 PolarHBondContact O-N 3.43Å; V996-I999 PolarHBondContact O-N 3.23Å; V996-I999 VanDerWaalsContact O-N 3.12Å; V996-E1000 PolarHBondContact O-N 3.49Å |
| 997 | S | 73.1 | Confident | 75.3 | Confident | 62 Ų | 62 | 113.4 Ų | 113.4 | 43% | 0.434 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -33.3 | 177.7 | -180 | 0 | 0 | 0 | 0 | 113.4 | L993 T995 I1001 | L993-S997 PolarHBondContact O-N 2.84Å; T995-S997 PolarHBondContact O-N 2.83Å; S997-I1001 WeakPolarHBondContact O-CD1 3.49Å; S997-I1001 VanDerWaalsContact O-CG1 3.31Å; S997-I1001 WeakPolarHBondContact O-CG1 3.47Å; S997-I1001 PolarHBondContact O-N 2.75Å |
| 998 | K | 74.4 | Confident | 74.5 | Confident | 163 Ų | 163 | 111.5 Ų | 111.5 | 71% | 0.709 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.7 | -35.7 | 174.7 | -81.3 | -174 | 174.2 | -176.7 | 0 | 113 | K994 T995 V996 H1002 | K994-K998 PolarHBondContact O-N 3.46Å; T995-K998 PolarHBondContact O-N 3.38Å; V996-K998 VanDerWaalsContact C-N 3.29Å; V996-K998 PolarHBondContact O-N 3.43Å; K998-H1002 PolarHBondContact O-N 3.43Å; K998-H1002 VanDerWaalsContact O-N 3.16Å |
| 999 | I | 73.9 | Confident | 73.6 | Confident | 120 Ų | 120 | 111 Ų | 111 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.4 | -41.9 | -179.2 | -66.1 | 167 | 0 | 0 | 0 | 110.3 | T995 V996 H1002 A1003 | T995-I999 WeakPolarHBondContact O-CG1 3.35Å; T995-I999 PolarHBondContact O-N 2.76Å; V996-I999 PolarHBondContact O-N 3.23Å; V996-I999 VanDerWaalsContact O-N 3.12Å; I999-H1002 PolarHBondContact O-N 2.81Å; I999-A1003 PolarHBondContact O-N 3.27Å |
| 1000 | E | 70.8 | Confident | 72.7 | Confident | 133 Ų | 133 | 111.7 Ų | 111.7 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.4 | -40.9 | 178.1 | -72.5 | -178.1 | 161 | 0 | 0 | 112.8 | V996 H1002 A1003 F1004 | V996-E1000 PolarHBondContact O-N 3.49Å; E1000-H1002 VanDerWaalsContact C-N 3.32Å; E1000-H1002 PolarHBondContact O-N 3.37Å; E1000-A1003 PolarHBondContact O-N 2.74Å; E1000-F1004 PolarHBondContact O-N 2.62Å; E1000-F1004 VanDerWaalsContact O-N 3.08Å |
| 1001 | I | 73 | Confident | 71.7 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -37.3 | 176.7 | -66.3 | 169.2 | 0 | 0 | 0 | 110.8 | S997 F1004 I1005 | S997-I1001 WeakPolarHBondContact O-CD1 3.49Å; S997-I1001 VanDerWaalsContact O-CG1 3.31Å; S997-I1001 WeakPolarHBondContact O-CG1 3.47Å; S997-I1001 PolarHBondContact O-N 2.75Å; I1001-F1004 PolarHBondContact O-N 2.79Å; I1001-I1005 HydrophobicContact CG2-CD1 4.03Å; I1001-I1005 WeakPolarHBondContact O-CG1 3.18Å; I1001-I1005 PolarHBondContact O-N 3.4Å; I1001-I1005 VanDerWaalsContact O-N 3.16Å |
| 1002 | H | 69.3 | Low | 70.6 | Confident | 125 Ų | 125 | 105 Ų | 105 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.6 | -37.9 | 179.7 | -150 | 2.3 | 0 | 0 | 0 | 112.3 | K998 I999 E1000 F1004 I1005 I1006 | K998-H1002 PolarHBondContact O-N 3.43Å; K998-H1002 VanDerWaalsContact O-N 3.16Å; I999-H1002 PolarHBondContact O-N 2.81Å; E1000-H1002 VanDerWaalsContact C-N 3.32Å; E1000-H1002 PolarHBondContact O-N 3.37Å; H1002-F1004 VanDerWaalsContact C-N 3.35Å; H1002-I1005 PolarHBondContact O-N 3.35Å; H1002-I1006 WeakPolarHBondContact O-CG1 3.35Å; H1002-I1006 PolarHBondContact O-N 3.21Å |
| 1003 | A | 67.6 | Low | 69.5 | Low | 55 Ų | 55 | 103.2 Ų | 103.2 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.4 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I999 E1000 N1007 | I999-A1003 PolarHBondContact O-N 3.27Å; E1000-A1003 PolarHBondContact O-N 2.74Å; A1003-N1007 PolarHBondContact O-N 2.77Å |
| 1004 | F | 71.8 | Confident | 68.4 | Low | 138 Ų | 138 | 104.8 Ų | 104.8 | 61% | 0.605 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.6 | -38.2 | 177 | -164.7 | -104.3 | 0 | 0 | 0 | 112.6 | E1000 I1001 H1002 N1007 I1008 | E1000-F1004 PolarHBondContact O-N 2.62Å; E1000-F1004 VanDerWaalsContact O-N 3.08Å; I1001-F1004 PolarHBondContact O-N 2.79Å; H1002-F1004 VanDerWaalsContact C-N 3.35Å; F1004-N1007 PolarHBondContact O-N 3.25Å; F1004-I1008 HydrophobicContact CD1-CD1 3.74Å; F1004-I1008 HydrophobicContact CE1-CD1 3.36Å; F1004-I1008 HydrophobicContact CE1-CG1 4.43Å; F1004-I1008 HydrophobicContact CZ-CD1 3.98Å; F1004-I1008 PolarHBondContact O-N 2.82Å |
| 1005 | I | 70.3 | Confident | 67.1 | Low | 83 Ų | 83 | 105.3 Ų | 105.3 | 43% | 0.426 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -37 | 176.7 | -68.1 | 168.3 | 0 | 0 | 0 | 111.8 | I1001 H1002 I1008 N1009 | I1001-I1005 HydrophobicContact CG2-CD1 4.03Å; I1001-I1005 WeakPolarHBondContact O-CG1 3.18Å; I1001-I1005 PolarHBondContact O-N 3.4Å; I1001-I1005 VanDerWaalsContact O-N 3.16Å; H1002-I1005 PolarHBondContact O-N 3.35Å; I1005-I1008 PolarHBondContact O-N 3.41Å; I1005-N1009 PolarHBondContact O-N 3.32Å; I1005-N1009 VanDerWaalsContact O-N 3.07Å |
| 1006 | I | 69.1 | Low | 65.6 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 45% | 0.451 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.2 | -40.2 | 176.8 | -68.8 | 170.2 | 0 | 0 | 0 | 111.1 | H1002 I1008 N1009 N1010 | H1002-I1006 WeakPolarHBondContact O-CG1 3.35Å; H1002-I1006 PolarHBondContact O-N 3.21Å; I1006-I1008 PolarHBondContact O-N 2.81Å; I1006-N1009 PolarHBondContact O-N 2.88Å; I1006-N1010 PolarHBondContact O-N 3.25Å; I1006-N1010 VanDerWaalsContact O-N 3.08Å |
| 1007 | N | 66.1 | Low | 65.1 | Low | 117 Ų | 117 | 112.5 Ų | 112.5 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69 | -30.4 | 178.1 | -91.7 | -16 | 0 | 0 | 0 | 113.7 | A1003 F1004 S1011 | A1003-N1007 PolarHBondContact O-N 2.77Å; F1004-N1007 PolarHBondContact O-N 3.25Å; N1007-S1011 PolarHBondContact O-N 3.33Å; N1007-S1011 PolarHBondContact O-OG 3.39Å |
| 1008 | I | 67.9 | Low | 64.7 | Low | 81 Ų | 81 | 115.2 Ų | 115.2 | 42% | 0.415 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76 | -36.9 | 175.1 | -68.7 | 175.9 | 0 | 0 | 0 | 111.6 | F1004 I1005 I1006 S1011 S1012 | F1004-I1008 HydrophobicContact CD1-CD1 3.74Å; F1004-I1008 HydrophobicContact CE1-CD1 3.36Å; F1004-I1008 HydrophobicContact CE1-CG1 4.43Å; F1004-I1008 HydrophobicContact CZ-CD1 3.98Å; F1004-I1008 PolarHBondContact O-N 2.82Å; I1005-I1008 PolarHBondContact O-N 3.41Å; I1006-I1008 PolarHBondContact O-N 2.81Å; I1008-S1011 WeakPolarHBondContact CA-OG 3.28Å; I1008-S1011 PolarHBondContact O-N 3.01Å; I1008-S1011 PolarHBondContact O-OG 3.39Å; I1008-S1011 VanDerWaalsContact O-OG 3.09Å; I1008-S1012 PolarHBondContact O-N 3.05Å; I1008-S1012 PolarHBondContact O-OG 3Å |
| 1009 | N | 63.9 | Low | 64.2 | Low | 102 Ų | 102 | 112.5 Ų | 112.5 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71 | -32.6 | 177.2 | -78.9 | -14 | 0 | 0 | 0 | 113 | I1005 I1006 S1011 S1012 S1013 | I1005-N1009 PolarHBondContact O-N 3.32Å; I1005-N1009 VanDerWaalsContact O-N 3.07Å; I1006-N1009 PolarHBondContact O-N 2.88Å; N1009-S1011 VanDerWaalsContact C-N 3.35Å; N1009-S1012 PolarHBondContact O-N 3.06Å; N1009-S1013 PolarHBondContact O-OG 3.31Å; N1009-S1013 VanDerWaalsContact O-OG 3.13Å |
| 1010 | N | 61.1 | Low | 63.6 | Low | 102 Ų | 102 | 112.1 Ų | 112.1 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.6 | -22.1 | 175.5 | -75.7 | -12.8 | 0 | 0 | 0 | 113.6 | I1006 | I1006-N1010 PolarHBondContact O-N 3.25Å; I1006-N1010 VanDerWaalsContact O-N 3.08Å |
| 1011 | S | 60.5 | Low | 63.2 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -87.2 | -10.6 | 175.2 | 38.1 | 0 | 0 | 0 | 0 | 113.5 | N1007 I1008 N1009 | N1007-S1011 PolarHBondContact O-N 3.33Å; N1007-S1011 PolarHBondContact O-OG 3.39Å; I1008-S1011 WeakPolarHBondContact CA-OG 3.28Å; I1008-S1011 PolarHBondContact O-N 3.01Å; I1008-S1011 PolarHBondContact O-OG 3.39Å; I1008-S1011 VanDerWaalsContact O-OG 3.09Å; N1009-S1011 VanDerWaalsContact C-N 3.35Å |
| 1012 | S | 59.9 | Low | 62.5 | Low | 83 Ų | 83 | 111.5 Ų | 111.5 | 58% | 0.58 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -100 | -0.4 | -179.1 | -50.9 | 0 | 0 | 0 | 0 | 114.4 | I1008 N1009 | I1008-S1012 PolarHBondContact O-N 3.05Å; I1008-S1012 PolarHBondContact O-OG 3Å; N1009-S1012 PolarHBondContact O-N 3.06Å |
| 1013 | S | 56.6 | Low | 62 | Low | 74 Ų | 74 | 110.5 Ų | 110.5 | 52% | 0.517 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -112.4 | 15.6 | -175.6 | 40.6 | 0 | 0 | 0 | 0 | 114.6 | N1009 | N1009-S1013 PolarHBondContact O-OG 3.31Å; N1009-S1013 VanDerWaalsContact O-OG 3.13Å |
| 1014 | L | 55.8 | Low | 61.6 | Low | 159 Ų | 159 | 114.8 Ų | 114.8 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -112.7 | 15 | 171.9 | -95.2 | 152.5 | 0 | 0 | 0 | 113.3 | ||
| 1015 | Q | 52.5 | Low | 60.7 | Low | 175 Ų | 175 | 112.8 Ų | 112.8 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | trans | -127.3 | 118.3 | 160.1 | -81.6 | -175.5 | -22.8 | 0 | 0 | 108 | ||||
| 1016 | T | 45.3 | Very low | 59.9 | Low | 199 Ų | 199 | 115.5 Ų | 115.5 | 100% | 1.221 | 65% | 0.654 | S | S | * | * | trans | 94.1 | 0 | -153.7 | 67.3 | 0 | 0 | 0 | 0 | 112 |
Retrieved 1,016 of 1,016 residues in 240.4 ms
(Link to these results)