| 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 | 47.4 | Very low | 77.6 | Confident | 245 Ų | 245 | 82.4 Ų | 82.4 | 100% | 1.207 | 41% | 0.407 | S | S | * | . | 0 | 112.2 | 0 | -87.7 | 172.5 | -146.2 | 0 | 0 | 107.1 | |||||
| 2 | K | 56.8 | Low | 78.6 | Confident | 118 Ų | 118 | 79 Ų | 79 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | trans | -64.4 | 141 | 170.8 | -78 | -177.4 | 173.5 | -178.5 | 0 | 108.5 | L7 E10 | K2-L7 HydrophobicContact CB-CD2 4.49Å; K2-L7 HydrophobicContact CB-CG 4.18Å; K2-L7 HydrophobicContact CD-CD2 3.98Å; K2-L7 HydrophobicContact CD-CG 4.48Å; K2-E10 IonicContact NZ-OE1 2.87Å; K2-E10 PolarHBondContact NZ-OE1 3.46Å; K2-E10 IonicContact NZ-OE2 3.21Å; K2-E10 PolarHBondContact NZ-OE2 3.15Å | ||
| 3 | N | 76.9 | Confident | 79.5 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | trans | -72.2 | 146.5 | 177.8 | -169.5 | -8.5 | 0 | 0 | 0 | 109.7 | I5 E6 L7 | N3-I5 PolarHBondContact O-N 3.33Å; N3-I5 VanDerWaalsContact O-N 3.15Å; N3-E6 HydrophobicContact CB-CG 4.06Å; N3-E6 PolarHBondContact N-OE2 2.99Å; N3-E6 WeakPolarHBondContact O-CB 3.17Å; N3-E6 PolarHBondContact O-N 3.4Å; N3-L7 PolarHBondContact O-N 3.39Å | ||
| 4 | L | 78.8 | Confident | 80.2 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.2 | -35.2 | -179.8 | -177.8 | 67.8 | 0 | 0 | 0 | 112.6 | K8 C30 L33 M40 | L4-K8 PolarHBondContact O-N 3.49Å; L4-C30 HydrophobicContact CD1-CB 4.28Å; L4-C30 WeakPolarHBondContact CD1-O 3.47Å; L4-L33 HydrophobicContact CD1-CB 3.84Å; L4-M40 HydrophobicContact CD1-SD 4.09Å; L4-M40 HydrophobicContact CD2-CE 3.81Å; L4-M40 HydrophobicContact CD2-SD 3.21Å; L4-M40 WeakPolarHBondContact CD2-SD 3.15Å; L4-M40 HydrophobicContact CG-CE 4.27Å; L4-M40 HydrophobicContact CG-SD 3.38Å; L4-M40 WeakPolarHBondContact CG-SD 3.33Å |
| 5 | I | 80.8 | Confident | 80.9 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 176.7 | -61.9 | 171.7 | 0 | 0 | 0 | 111.1 | N3 K8 T9 | N3-I5 PolarHBondContact O-N 3.33Å; N3-I5 VanDerWaalsContact O-N 3.15Å; I5-K8 PolarHBondContact O-N 3.38Å; I5-T9 WeakPolarHBondContact O-CG2 3.47Å; I5-T9 PolarHBondContact O-N 3.4Å; I5-T9 PolarHBondContact O-OG1 3.37Å |
| 6 | E | 83.2 | Confident | 81.5 | Confident | 99 Ų | 99 | 79.3 Ų | 79.3 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 180 | -65.9 | 170.1 | 168 | 0 | 0 | 111 | N3 K8 T9 E10 | N3-E6 HydrophobicContact CB-CG 4.06Å; N3-E6 PolarHBondContact N-OE2 2.99Å; N3-E6 WeakPolarHBondContact O-CB 3.17Å; N3-E6 PolarHBondContact O-N 3.4Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.45Å; E6-T9 VanDerWaalsContact CA-OG1 3.32Å; E6-T9 WeakPolarHBondContact CA-OG1 3.36Å; E6-T9 PolarHBondContact O-N 3.47Å; E6-T9 VanDerWaalsContact O-N 3.16Å; E6-T9 PolarHBondContact O-OG1 3.28Å; E6-E10 WeakPolarHBondContact O-CB 3.39Å; E6-E10 PolarHBondContact O-N 2.92Å |
| 7 | L | 84.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 83.5 Ų | 83.5 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.1 | -74.5 | 168.3 | 0 | 0 | 0 | 111.7 | K2 N3 T9 E10 A11 L26 C30 L33 | K2-L7 HydrophobicContact CB-CD2 4.49Å; K2-L7 HydrophobicContact CB-CG 4.18Å; K2-L7 HydrophobicContact CD-CD2 3.98Å; K2-L7 HydrophobicContact CD-CG 4.48Å; N3-L7 PolarHBondContact O-N 3.39Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.35Å; L7-E10 PolarHBondContact O-N 2.62Å; L7-A11 WeakPolarHBondContact O-CB 3.43Å; L7-A11 PolarHBondContact O-N 3.33Å; L7-L26 HydrophobicContact CD2-CD2 4.36Å; L7-C30 WeakPolarHBondContact CB-SG 3.41Å; L7-L33 HydrophobicContact CD1-CD1 3.45Å; L7-L33 VanDerWaalsContact CD1-CD1 3.45Å |
| 8 | K | 82.7 | Confident | 82.2 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.1 | 178.3 | -174.9 | 170.7 | -173 | 0 | 111.6 | L4 I5 E6 N12 L44 | L4-K8 PolarHBondContact O-N 3.49Å; I5-K8 PolarHBondContact O-N 3.38Å; E6-K8 VanDerWaalsContact C-N 3.34Å; E6-K8 PolarHBondContact O-N 3.45Å; K8-N12 WeakPolarHBondContact O-CB 3.41Å; K8-N12 PolarHBondContact O-N 3.18Å; K8-N12 PolarHBondContact O-ND2 2.83Å; K8-L44 HydrophobicContact CG-CD2 4.4Å |
| 9 | T | 87.2 | Confident | 82.6 | Confident | 76 Ų | 76 | 80.2 Ų | 80.2 | 47% | 0.466 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 176.9 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | I5 E6 L7 N12 E13 | I5-T9 WeakPolarHBondContact O-CG2 3.47Å; I5-T9 PolarHBondContact O-N 3.4Å; I5-T9 PolarHBondContact O-OG1 3.37Å; E6-T9 VanDerWaalsContact CA-OG1 3.32Å; E6-T9 WeakPolarHBondContact CA-OG1 3.36Å; E6-T9 PolarHBondContact O-N 3.47Å; E6-T9 VanDerWaalsContact O-N 3.16Å; E6-T9 PolarHBondContact O-OG1 3.28Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-T9 PolarHBondContact O-N 3.35Å; T9-N12 PolarHBondContact O-N 3.07Å; T9-E13 WeakPolarHBondContact O-CG 3.44Å; T9-E13 PolarHBondContact O-N 3.44Å |
| 10 | E | 88.2 | Confident | 83.1 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.3 | -168.4 | 173.1 | -176 | 0 | 0 | 111.3 | K2 E6 L7 N12 E13 L14 L26 | K2-E10 IonicContact NZ-OE1 2.87Å; K2-E10 PolarHBondContact NZ-OE1 3.46Å; K2-E10 IonicContact NZ-OE2 3.21Å; K2-E10 PolarHBondContact NZ-OE2 3.15Å; E6-E10 WeakPolarHBondContact O-CB 3.39Å; E6-E10 PolarHBondContact O-N 2.92Å; L7-E10 PolarHBondContact O-N 2.62Å; E10-N12 VanDerWaalsContact C-N 3.32Å; E10-N12 PolarHBondContact O-N 3.42Å; E10-E13 PolarHBondContact O-N 3.32Å; E10-E13 VanDerWaalsContact O-N 3.12Å; E10-L14 PolarHBondContact O-N 3.25Å; E10-L26 HydrophobicContact CB-CD1 4.07Å; E10-L26 HydrophobicContact CG-CD1 3.71Å |
| 11 | A | 86.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 L14 F15 L26 Y27 | L7-A11 WeakPolarHBondContact O-CB 3.43Å; L7-A11 PolarHBondContact O-N 3.33Å; A11-L14 PolarHBondContact O-N 3.46Å; A11-F15 WeakPolarHBondContact O-CB 3.36Å; A11-F15 PolarHBondContact O-N 2.91Å; A11-L26 HydrophobicContact CB-CB 3.69Å; A11-L26 HydrophobicContact CB-CD1 4.27Å; A11-Y27 HydrophobicContact CB-CD1 3.5Å; A11-Y27 HydrophobicContact CB-CE1 3.32Å; A11-Y27 HydrophobicContact CB-CE2 4.43Å; A11-Y27 HydrophobicContact CB-CG 4.16Å |
| 12 | N | 89.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 78.7 Ų | 78.7 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | 175.2 | -69.2 | -20.7 | 0 | 0 | 0 | 112.4 | K8 T9 E10 F15 K16 Y27 N47 | K8-N12 WeakPolarHBondContact O-CB 3.41Å; K8-N12 PolarHBondContact O-N 3.18Å; K8-N12 PolarHBondContact O-ND2 2.83Å; T9-N12 PolarHBondContact O-N 3.07Å; E10-N12 VanDerWaalsContact C-N 3.32Å; E10-N12 PolarHBondContact O-N 3.42Å; N12-F15 WeakPolarHBondContact O-CB 3.35Å; N12-F15 PolarHBondContact O-N 3.46Å; N12-K16 WeakPolarHBondContact O-CG 3.31Å; N12-K16 PolarHBondContact O-N 3.4Å; N12-Y27 PolarHBondContact OD1-OH 2.94Å; N12-N47 PolarHBondContact OD1-ND2 2.77Å |
| 13 | E | 90.4 | Very high | 86.9 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 174 | -71.4 | -54 | 129.8 | 0 | 0 | 111.6 | T9 E10 F15 K16 K17 | T9-E13 WeakPolarHBondContact O-CG 3.44Å; T9-E13 PolarHBondContact O-N 3.44Å; E10-E13 PolarHBondContact O-N 3.32Å; E10-E13 VanDerWaalsContact O-N 3.12Å; E13-F15 VanDerWaalsContact C-N 3.34Å; E13-K16 PolarHBondContact O-N 2.94Å; E13-K16 IonicContact OE1-NZ 2.94Å; E13-K16 PolarHBondContact OE1-NZ 3.16Å; E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 2.9Å |
| 14 | L | 89 | Confident | 87.5 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 171.6 | -68.2 | -177.2 | 0 | 0 | 0 | 112.1 | E10 A11 K16 K17 G18 L19 E22 A23 L26 | E10-L14 PolarHBondContact O-N 3.25Å; A11-L14 PolarHBondContact O-N 3.46Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.29Å; L14-K17 CarbonylContact O-C 3.26Å; L14-K17 PolarHBondContact O-N 3.35Å; L14-G18 PolarHBondContact O-N 3.46Å; L14-L19 HydrophobicContact CB-CB 4.49Å; L14-L19 HydrophobicContact CD2-CD1 4.02Å; L14-L19 PolarHBondContact O-N 3.42Å; L14-E22 HydrophobicContact CD1-CB 3.81Å; L14-A23 HydrophobicContact CB-CB 3.96Å; L14-L26 HydrophobicContact CD1-CD1 3.46Å; L14-L26 VanDerWaalsContact CD1-CD1 3.46Å; L14-L26 HydrophobicContact CD1-CG 4.19Å; L14-L26 HydrophobicContact CG-CD1 4.4Å |
| 15 | F | 91.4 | Very high | 87.9 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 26% | 0.263 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 174.4 | -179.3 | -92 | 0 | 0 | 0 | 111.8 | A11 N12 E13 K17 G18 Y20 A23 Q50 C51 | A11-F15 WeakPolarHBondContact O-CB 3.36Å; A11-F15 PolarHBondContact O-N 2.91Å; N12-F15 WeakPolarHBondContact O-CB 3.35Å; N12-F15 PolarHBondContact O-N 3.46Å; E13-F15 VanDerWaalsContact C-N 3.34Å; F15-K17 VanDerWaalsContact C-N 3.31Å; F15-K17 PolarHBondContact O-N 3.41Å; F15-G18 PolarHBondContact O-N 2.83Å; F15-Y20 AromaticContact CD2-CD1 3.82Å; F15-Y20 HydrophobicContact CD2-CD1 3.82Å; F15-Y20 HydrophobicContact CD2-CE1 4.01Å; F15-Y20 AromaticContact CE2-CD1 3.97Å; F15-Y20 HydrophobicContact CE2-CD1 3.97Å; F15-Y20 AromaticContact CE2-CE1 3.92Å; F15-Y20 HydrophobicContact CE2-CE1 3.92Å; F15-Y20 HydrophobicContact CZ-CE1 4.44Å; F15-A23 HydrophobicContact CB-CB 4.35Å; F15-Q50 HydrophobicContact CE2-CB 4.22Å; F15-Q50 HydrophobicContact CE2-CG 3.92Å; F15-Q50 HydrophobicContact CZ-CB 4.35Å; F15-Q50 HydrophobicContact CZ-CG 3.65Å; F15-C51 WeakPolarHBondContact CD2-SG 3.5Å |
| 16 | K | 89.6 | Confident | 88.2 | Confident | 149 Ų | 149 | 66 Ų | 66 | 65% | 0.648 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.8 | -34.8 | 176.1 | -72.4 | 173.9 | -172.6 | 170.5 | 0 | 112.6 | N12 E13 L14 G18 | N12-K16 WeakPolarHBondContact O-CG 3.31Å; N12-K16 PolarHBondContact O-N 3.4Å; E13-K16 PolarHBondContact O-N 2.94Å; E13-K16 IonicContact OE1-NZ 2.94Å; E13-K16 PolarHBondContact OE1-NZ 3.16Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.29Å; K16-G18 PolarHBondContact O-N 3.02Å |
| 17 | K | 89 | Confident | 88.5 | Confident | 151 Ų | 151 | 61.4 Ų | 61.4 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -4.1 | 174 | -69.6 | 176 | -177.4 | 179.5 | 0 | 113.5 | E13 L14 F15 L19 | E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 2.9Å; L14-K17 CarbonylContact O-C 3.26Å; L14-K17 PolarHBondContact O-N 3.35Å; F15-K17 VanDerWaalsContact C-N 3.31Å; F15-K17 PolarHBondContact O-N 3.41Å; K17-L19 VanDerWaalsContact C-N 3.3Å; K17-L19 HydrophobicContact CB-CD1 4.5Å; K17-L19 HydrophobicContact CB-CG 4.49Å; K17-L19 PolarHBondContact O-N 2.82Å |
| 18 | G | 86.5 | Confident | 88.7 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 5.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L14 F15 K16 Y20 | L14-G18 PolarHBondContact O-N 3.46Å; F15-G18 PolarHBondContact O-N 2.83Å; K16-G18 PolarHBondContact O-N 3.02Å; G18-Y20 VanDerWaalsContact C-N 3.27Å; G18-Y20 WeakPolarHBondContact O-CD2 3.43Å; G18-Y20 PolarHBondContact O-N 3.05Å |
| 19 | L | 91.4 | Very high | 88.9 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | trans | -83.7 | 67.6 | 179.7 | -64.5 | 172.8 | 0 | 0 | 0 | 110.5 | L14 K17 R21 E22 A23 | L14-L19 HydrophobicContact CB-CB 4.49Å; L14-L19 HydrophobicContact CD2-CD1 4.02Å; L14-L19 PolarHBondContact O-N 3.42Å; K17-L19 VanDerWaalsContact C-N 3.3Å; K17-L19 HydrophobicContact CB-CD1 4.5Å; K17-L19 HydrophobicContact CB-CG 4.49Å; K17-L19 PolarHBondContact O-N 2.82Å; L19-R21 PolarHBondContact O-N 2.91Å; L19-E22 HydrophobicContact CB-CB 4.48Å; L19-E22 PolarHBondContact O-N 3.25Å; L19-A23 WeakPolarHBondContact O-CB 3.29Å; L19-A23 PolarHBondContact O-N 3.4Å | ||
| 20 | Y | 91 | Very high | 88.8 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | -169.2 | -53.3 | -53 | 0 | 0 | 0 | 114.4 | F15 G18 A23 I24 N54 L55 | F15-Y20 AromaticContact CD2-CD1 3.82Å; F15-Y20 HydrophobicContact CD2-CD1 3.82Å; F15-Y20 HydrophobicContact CD2-CE1 4.01Å; F15-Y20 AromaticContact CE2-CD1 3.97Å; F15-Y20 HydrophobicContact CE2-CD1 3.97Å; F15-Y20 AromaticContact CE2-CE1 3.92Å; F15-Y20 HydrophobicContact CE2-CE1 3.92Å; F15-Y20 HydrophobicContact CZ-CE1 4.44Å; G18-Y20 VanDerWaalsContact C-N 3.27Å; G18-Y20 WeakPolarHBondContact O-CD2 3.43Å; G18-Y20 PolarHBondContact O-N 3.05Å; Y20-A23 PolarHBondContact O-N 3.43Å; Y20-I24 WeakPolarHBondContact O-CD1 3.5Å; Y20-I24 WeakPolarHBondContact O-CG1 3.36Å; Y20-I24 PolarHBondContact O-N 3.04Å; Y20-N54 HydrophobicContact CD2-CB 3.9Å; Y20-N54 HydrophobicContact CE1-CB 4.37Å; Y20-N54 WeakPolarHBondContact CE1-ND2 3.32Å; Y20-N54 HydrophobicContact CE2-CB 3.67Å; Y20-N54 HydrophobicContact CG-CB 4.34Å; Y20-N54 PolarHBondContact OH-ND2 3.12Å; Y20-L55 HydrophobicContact CD2-CD2 4.29Å; Y20-L55 HydrophobicContact CD2-CG 4.46Å |
| 21 | R | 88.7 | Confident | 88.6 | Confident | 201 Ų | 201 | 60.9 Ų | 60.9 | 76% | 0.758 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.2 | -43.6 | 179.3 | -69.9 | -176.4 | -178.2 | 154.1 | 0.3 | 112.1 | L19 I24 G25 L55 | L19-R21 PolarHBondContact O-N 2.91Å; R21-I24 PolarHBondContact O-N 3.18Å; R21-G25 PolarHBondContact O-N 2.92Å; R21-G25 VanDerWaalsContact O-N 3.09Å; R21-L55 HydrophobicContact CG-CD1 3.95Å; R21-L55 HydrophobicContact CG-CD2 4.32Å |
| 22 | E | 88.9 | Confident | 88.3 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68 | -39.8 | 176.8 | -63.3 | 171.5 | -141.8 | 0 | 0 | 110.8 | L14 L19 I24 G25 L26 | L14-E22 HydrophobicContact CD1-CB 3.81Å; L19-E22 HydrophobicContact CB-CB 4.48Å; L19-E22 PolarHBondContact O-N 3.25Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 2.78Å; E22-G25 PolarHBondContact O-N 2.78Å; E22-L26 PolarHBondContact O-N 3.19Å |
| 23 | A | 89.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L14 F15 L19 Y20 L26 Y27 | L14-A23 HydrophobicContact CB-CB 3.96Å; F15-A23 HydrophobicContact CB-CB 4.35Å; L19-A23 WeakPolarHBondContact O-CB 3.29Å; L19-A23 PolarHBondContact O-N 3.4Å; Y20-A23 PolarHBondContact O-N 3.43Å; A23-L26 PolarHBondContact O-N 3.19Å; A23-Y27 HydrophobicContact CB-CE2 4.19Å; A23-Y27 WeakPolarHBondContact O-CB 3.39Å; A23-Y27 WeakPolarHBondContact O-CD2 3.49Å; A23-Y27 VanDerWaalsContact O-CG 3.28Å; A23-Y27 PolarHBondContact O-N 2.94Å |
| 24 | I | 90.2 | Very high | 86.9 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 8% | 0.077 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 173.9 | -71.4 | 160.2 | 0 | 0 | 0 | 110.7 | Y20 R21 E22 L26 Y27 D28 K48 C51 F52 L55 | Y20-I24 WeakPolarHBondContact O-CD1 3.5Å; Y20-I24 WeakPolarHBondContact O-CG1 3.36Å; Y20-I24 PolarHBondContact O-N 3.04Å; R21-I24 PolarHBondContact O-N 3.18Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 2.78Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.22Å; I24-Y27 PolarHBondContact O-N 3.07Å; I24-Y27 VanDerWaalsContact O-N 3.15Å; I24-D28 PolarHBondContact O-N 2.99Å; I24-K48 HydrophobicContact CG1-CG 4.34Å; I24-K48 HydrophobicContact CG2-CG 4.33Å; I24-C51 HydrophobicContact CD1-CB 3.58Å; I24-C51 HydrophobicContact CG1-CB 3.46Å; I24-C51 VanDerWaalsContact CG1-CB 3.46Å; I24-F52 HydrophobicContact CD1-CD1 3.84Å; I24-F52 HydrophobicContact CD1-CE1 3.7Å; I24-F52 HydrophobicContact CD1-CG 4.43Å; I24-F52 HydrophobicContact CD1-CZ 4.2Å; I24-F52 HydrophobicContact CG2-CZ 4.29Å; I24-L55 HydrophobicContact CD1-CD1 3.81Å |
| 25 | G | 87.1 | Confident | 86 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.1 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | R21 E22 D28 E29 | R21-G25 PolarHBondContact O-N 2.92Å; R21-G25 VanDerWaalsContact O-N 3.09Å; E22-G25 PolarHBondContact O-N 2.78Å; G25-D28 PolarHBondContact O-N 3.46Å; G25-E29 PolarHBondContact O-N 3.35Å |
| 26 | L | 87.7 | Confident | 85.1 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 14% | 0.141 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.4 | -34.7 | 176.2 | -68.2 | -173.3 | 0 | 0 | 0 | 113 | L7 E10 A11 L14 E22 A23 I24 D28 E29 C30 | L7-L26 HydrophobicContact CD2-CD2 4.36Å; E10-L26 HydrophobicContact CB-CD1 4.07Å; E10-L26 HydrophobicContact CG-CD1 3.71Å; A11-L26 HydrophobicContact CB-CB 3.69Å; A11-L26 HydrophobicContact CB-CD1 4.27Å; L14-L26 HydrophobicContact CD1-CD1 3.46Å; L14-L26 VanDerWaalsContact CD1-CD1 3.46Å; L14-L26 HydrophobicContact CD1-CG 4.19Å; L14-L26 HydrophobicContact CG-CD1 4.4Å; E22-L26 PolarHBondContact O-N 3.19Å; A23-L26 PolarHBondContact O-N 3.19Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.22Å; L26-D28 VanDerWaalsContact C-N 3.34Å; L26-E29 PolarHBondContact O-N 3Å; L26-C30 WeakPolarHBondContact O-CB 3.23Å; L26-C30 PolarHBondContact O-N 2.75Å; L26-C30 PolarHBondContact O-SG 3.39Å |
| 27 | Y | 89.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 174.4 | -71.5 | -42.8 | 0 | 0 | 0 | 112 | A11 N12 A23 I24 C30 L31 L44 N47 | A11-Y27 HydrophobicContact CB-CD1 3.5Å; A11-Y27 HydrophobicContact CB-CE1 3.32Å; A11-Y27 HydrophobicContact CB-CE2 4.43Å; A11-Y27 HydrophobicContact CB-CG 4.16Å; N12-Y27 PolarHBondContact OD1-OH 2.94Å; A23-Y27 HydrophobicContact CB-CE2 4.19Å; A23-Y27 WeakPolarHBondContact O-CB 3.39Å; A23-Y27 WeakPolarHBondContact O-CD2 3.49Å; A23-Y27 VanDerWaalsContact O-CG 3.28Å; A23-Y27 PolarHBondContact O-N 2.94Å; I24-Y27 PolarHBondContact O-N 3.07Å; I24-Y27 VanDerWaalsContact O-N 3.15Å; Y27-C30 WeakPolarHBondContact O-CB 3.25Å; Y27-C30 PolarHBondContact O-N 3.43Å; Y27-L31 WeakPolarHBondContact O-CB 3.34Å; Y27-L31 VanDerWaalsContact O-CG 3.26Å; Y27-L31 WeakPolarHBondContact O-CG 3.42Å; Y27-L31 PolarHBondContact O-N 3.35Å; Y27-L44 HydrophobicContact CD1-CD2 3.5Å; Y27-L44 VanDerWaalsContact CD1-CD2 3.5Å; Y27-L44 HydrophobicContact CE1-CD2 4.13Å; Y27-L44 HydrophobicContact CG-CD2 4.39Å; Y27-N47 HydrophobicContact CD2-CB 4.34Å; Y27-N47 HydrophobicContact CE1-CB 4.15Å; Y27-N47 HydrophobicContact CE2-CB 3.67Å; Y27-N47 PolarHBondContact OH-ND2 2.74Å |
| 28 | D | 88.1 | Confident | 84.3 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 174.7 | -78.7 | -25.9 | 0 | 0 | 0 | 111.8 | I24 G25 L26 C30 L31 G32 K48 | I24-D28 PolarHBondContact O-N 2.99Å; G25-D28 PolarHBondContact O-N 3.46Å; L26-D28 VanDerWaalsContact C-N 3.34Å; D28-C30 VanDerWaalsContact C-N 3.34Å; D28-L31 PolarHBondContact O-N 2.61Å; D28-G32 PolarHBondContact O-N 2.86Å; D28-K48 VanDerWaalsContact OD1-CE 3.25Å; D28-K48 WeakPolarHBondContact OD1-CE 3.39Å; D28-K48 IonicContact OD1-NZ 3.44Å; D28-K48 PolarHBondContact OD1-NZ 3Å; D28-K48 WeakPolarHBondContact OD2-CE 3.49Å; D28-K48 IonicContact OD2-NZ 3.93Å; D28-K48 PolarHBondContact OD2-NZ 2.92Å |
| 29 | E | 86.5 | Confident | 84.2 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 170.3 | -167.6 | 179.7 | -180 | 0 | 0 | 111.3 | G25 L26 L31 G32 L33 | G25-E29 PolarHBondContact O-N 3.35Å; L26-E29 PolarHBondContact O-N 3Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.47Å; E29-G32 PolarHBondContact O-N 3.33Å; E29-L33 PolarHBondContact O-N 3.45Å; E29-L33 VanDerWaalsContact O-N 3.15Å |
| 30 | C | 85 | Confident | 83.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 172.6 | -69 | 0 | 0 | 0 | 0 | 111.9 | L4 L7 L26 Y27 D28 G32 L33 C34 L44 | L4-C30 HydrophobicContact CD1-CB 4.28Å; L4-C30 WeakPolarHBondContact CD1-O 3.47Å; L7-C30 WeakPolarHBondContact CB-SG 3.41Å; L26-C30 WeakPolarHBondContact O-CB 3.23Å; L26-C30 PolarHBondContact O-N 2.75Å; L26-C30 PolarHBondContact O-SG 3.39Å; Y27-C30 WeakPolarHBondContact O-CB 3.25Å; Y27-C30 PolarHBondContact O-N 3.43Å; D28-C30 VanDerWaalsContact C-N 3.34Å; C30-G32 VanDerWaalsContact C-N 3.28Å; C30-G32 PolarHBondContact O-N 3.27Å; C30-L33 PolarHBondContact O-N 3.11Å; C30-C34 PolarHBondContact O-N 2.93Å; C30-C34 PolarHBondContact O-SG 2.82Å; C30-L44 HydrophobicContact CB-CD1 3.57Å; C30-L44 HydrophobicContact CB-CD2 3.74Å; C30-L44 HydrophobicContact CB-CG 4.33Å |
| 31 | L | 84.9 | Confident | 83.6 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 179.1 | -78.1 | 168.1 | 0 | 0 | 0 | 112 | Y27 D28 E29 K41 L44 Q45 | Y27-L31 WeakPolarHBondContact O-CB 3.34Å; Y27-L31 VanDerWaalsContact O-CG 3.26Å; Y27-L31 WeakPolarHBondContact O-CG 3.42Å; Y27-L31 PolarHBondContact O-N 3.35Å; D28-L31 PolarHBondContact O-N 2.61Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.47Å; L31-K41 HydrophobicContact CD2-CB 4.34Å; L31-K41 HydrophobicContact CD2-CG 3.62Å; L31-L44 HydrophobicContact CD1-CB 4.46Å; L31-L44 HydrophobicContact CD2-CB 3.79Å; L31-L44 HydrophobicContact CD2-CD1 3.88Å; L31-L44 HydrophobicContact CG-CB 3.93Å; L31-L44 HydrophobicContact CG-CD1 3.94Å; L31-Q45 HydrophobicContact CD2-CG 4.28Å |
| 32 | G | 81.2 | Confident | 83.7 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.7 | -31.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D28 E29 C30 | D28-G32 PolarHBondContact O-N 2.86Å; E29-G32 PolarHBondContact O-N 3.33Å; C30-G32 VanDerWaalsContact C-N 3.28Å; C30-G32 PolarHBondContact O-N 3.27Å |
| 33 | L | 81 | Confident | 83.7 | Confident | 101 Ų | 101 | 55 Ų | 55 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -86 | -20.6 | 176.9 | -67 | 172.4 | 0 | 0 | 0 | 113.3 | L4 L7 E29 C30 G35 | L4-L33 HydrophobicContact CD1-CB 3.84Å; L7-L33 HydrophobicContact CD1-CD1 3.45Å; L7-L33 VanDerWaalsContact CD1-CD1 3.45Å; E29-L33 PolarHBondContact O-N 3.45Å; E29-L33 VanDerWaalsContact O-N 3.15Å; C30-L33 PolarHBondContact O-N 3.11Å; L33-G35 PolarHBondContact O-N 3.3Å; L33-G35 VanDerWaalsContact O-N 3.09Å |
| 34 | C | 69.5 | Low | 83.7 | Confident | 17 Ų | 17 | 55 Ų | 55 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | trans | -65.3 | 107.3 | 172.2 | -76.6 | 0 | 0 | 0 | 0 | 109.8 | C30 L44 | C30-C34 PolarHBondContact O-N 2.93Å; C30-C34 PolarHBondContact O-SG 2.82Å; C34-L44 VanDerWaalsContact SG-CD1 3.59Å | ||
| 35 | G | 69.1 | Low | 83.8 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 75% | 0.753 | 34% | 0.336 | S | S | * | . | trans | -67.9 | -113.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L33 | L33-G35 PolarHBondContact O-N 3.3Å; L33-G35 VanDerWaalsContact O-N 3.09Å | ||
| 36 | S | 72.6 | Confident | 84 | Confident | 121 Ų | 121 | 54.4 Ų | 54.4 | 85% | 0.846 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -88.4 | 4.6 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | K38 | S36-K38 PolarHBondContact O-N 3.33Š|
| 37 | D | 80.5 | Confident | 84.2 | Confident | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | trans | -75.2 | 88.3 | -177.3 | -171 | -10.1 | 0 | 0 | 0 | 112.2 | S39 M40 K41 | D37-S39 VanDerWaalsContact C-N 3.25Å; D37-S39 PolarHBondContact O-N 2.81Å; D37-S39 WeakPolarHBondContact OD1-CB 3.35Å; D37-S39 PolarHBondContact OD1-N 3.28Å; D37-M40 HydrophobicContact CB-CB 4.26Å; D37-M40 PolarHBondContact O-N 3.09Å; D37-M40 PolarHBondContact OD1-N 2.86Å; D37-M40 WeakPolarHBondContact OD2-CB 3.16Å; D37-K41 PolarHBondContact O-N 3.17Å; D37-K41 VanDerWaalsContact O-N 3.11Å | ||
| 38 | K | 82.6 | Confident | 84.4 | Confident | 156 Ų | 156 | 56.2 Ų | 56.2 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.6 | -32.7 | 176.1 | -67.5 | -176.2 | -179.4 | -179.6 | 0 | 112.9 | S36 L42 I71 | S36-K38 PolarHBondContact O-N 3.33Å; K38-L42 VanDerWaalsContact O-CB 3.27Å; K38-L42 WeakPolarHBondContact O-CB 3.45Å; K38-L42 PolarHBondContact O-N 2.86Å; K38-I71 HydrophobicContact CB-CG2 4.08Å |
| 39 | S | 83.9 | Confident | 84.7 | Confident | 82 Ų | 82 | 53 Ų | 53 | 57% | 0.573 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.3 | -45.7 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | D37 L42 V43 | D37-S39 VanDerWaalsContact C-N 3.25Å; D37-S39 PolarHBondContact O-N 2.81Å; D37-S39 WeakPolarHBondContact OD1-CB 3.35Å; D37-S39 PolarHBondContact OD1-N 3.28Å; S39-L42 PolarHBondContact O-N 3.18Å; S39-V43 PolarHBondContact O-N 2.88Å |
| 40 | M | 83.3 | Confident | 85.1 | Confident | 29 Ų | 29 | 50 Ų | 50 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 178.1 | -164.8 | 165.5 | -54.3 | 0 | 0 | 112.3 | L4 D37 L42 V43 L44 | L4-M40 HydrophobicContact CD1-SD 4.09Å; L4-M40 HydrophobicContact CD2-CE 3.81Å; L4-M40 HydrophobicContact CD2-SD 3.21Å; L4-M40 WeakPolarHBondContact CD2-SD 3.15Å; L4-M40 HydrophobicContact CG-CE 4.27Å; L4-M40 HydrophobicContact CG-SD 3.38Å; L4-M40 WeakPolarHBondContact CG-SD 3.33Å; D37-M40 HydrophobicContact CB-CB 4.26Å; D37-M40 PolarHBondContact O-N 3.09Å; D37-M40 PolarHBondContact OD1-N 2.86Å; D37-M40 WeakPolarHBondContact OD2-CB 3.16Å; M40-L42 VanDerWaalsContact C-N 3.26Å; M40-L42 PolarHBondContact O-N 3Å; M40-V43 PolarHBondContact O-N 3.43Å; M40-L44 HydrophobicContact CG-CD1 4.12Å; M40-L44 HydrophobicContact CG-CG 4.39Å; M40-L44 WeakPolarHBondContact O-CG 3.43Å; M40-L44 PolarHBondContact O-N 2.93Å |
| 41 | K | 86.9 | Confident | 85.5 | Confident | 98 Ų | 98 | 50 Ų | 50 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.2 | -43.4 | 176.1 | -170.1 | 174.1 | -177.1 | 170.8 | 0 | 112 | L31 D37 V43 L44 Q45 I71 | L31-K41 HydrophobicContact CD2-CB 4.34Å; L31-K41 HydrophobicContact CD2-CG 3.62Å; D37-K41 PolarHBondContact O-N 3.17Å; D37-K41 VanDerWaalsContact O-N 3.11Å; K41-V43 PolarHBondContact O-N 3.22Å; K41-L44 PolarHBondContact O-N 3.38Å; K41-Q45 WeakPolarHBondContact O-CG 3.18Å; K41-Q45 PolarHBondContact O-N 3.05Å; K41-I71 HydrophobicContact CB-CD1 4.05Å; K41-I71 HydrophobicContact CD-CD1 3.78Å; K41-I71 HydrophobicContact CG-CD1 3.63Å |
| 42 | L | 89.4 | Confident | 86 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 178.2 | 178.4 | 65.7 | 0 | 0 | 0 | 112.6 | K38 S39 M40 R46 A68 I71 | K38-L42 VanDerWaalsContact O-CB 3.27Å; K38-L42 WeakPolarHBondContact O-CB 3.45Å; K38-L42 PolarHBondContact O-N 2.86Å; S39-L42 PolarHBondContact O-N 3.18Å; M40-L42 VanDerWaalsContact C-N 3.26Å; M40-L42 PolarHBondContact O-N 3Å; L42-R46 VanDerWaalsContact O-CB 3.29Å; L42-R46 WeakPolarHBondContact O-CB 3.34Å; L42-R46 VanDerWaalsContact O-CG 3.23Å; L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.04Å; L42-R46 PolarHBondContact O-NE 3.2Å; L42-A68 HydrophobicContact CD1-CB 3.95Å; L42-A68 WeakPolarHBondContact CD1-O 3.31Å; L42-I71 HydrophobicContact CB-CB 4.48Å; L42-I71 HydrophobicContact CB-CD1 4.46Å; L42-I71 HydrophobicContact CB-CG2 4.01Å; L42-I71 HydrophobicContact CD1-CB 4.18Å; L42-I71 HydrophobicContact CD1-CG2 4.42Å |
| 43 | V | 88.7 | Confident | 86.6 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.8 | -40.3 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | S39 M40 K41 R46 N47 | S39-V43 PolarHBondContact O-N 2.88Å; M40-V43 PolarHBondContact O-N 3.43Å; K41-V43 PolarHBondContact O-N 3.22Å; V43-R46 WeakPolarHBondContact O-CB 3.44Å; V43-R46 PolarHBondContact O-N 3.19Å; V43-N47 PolarHBondContact O-N 2.71Å; V43-N47 VanDerWaalsContact O-N 3.09Å |
| 44 | L | 89.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 178.9 | -66 | 170 | 0 | 0 | 0 | 111.3 | K8 Y27 C30 L31 C34 M40 K41 R46 N47 K48 | K8-L44 HydrophobicContact CG-CD2 4.4Å; Y27-L44 HydrophobicContact CD1-CD2 3.5Å; Y27-L44 VanDerWaalsContact CD1-CD2 3.5Å; Y27-L44 HydrophobicContact CE1-CD2 4.13Å; Y27-L44 HydrophobicContact CG-CD2 4.39Å; C30-L44 HydrophobicContact CB-CD1 3.57Å; C30-L44 HydrophobicContact CB-CD2 3.74Å; C30-L44 HydrophobicContact CB-CG 4.33Å; L31-L44 HydrophobicContact CD1-CB 4.46Å; L31-L44 HydrophobicContact CD2-CB 3.79Å; L31-L44 HydrophobicContact CD2-CD1 3.88Å; L31-L44 HydrophobicContact CG-CB 3.93Å; L31-L44 HydrophobicContact CG-CD1 3.94Å; C34-L44 VanDerWaalsContact SG-CD1 3.59Å; M40-L44 HydrophobicContact CG-CD1 4.12Å; M40-L44 HydrophobicContact CG-CG 4.39Å; M40-L44 WeakPolarHBondContact O-CG 3.43Å; M40-L44 PolarHBondContact O-N 2.93Å; K41-L44 PolarHBondContact O-N 3.38Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.39Å; L44-N47 PolarHBondContact O-N 3.42Å; L44-N47 VanDerWaalsContact O-N 3.14Å; L44-K48 WeakPolarHBondContact O-CB 3.39Å; L44-K48 PolarHBondContact O-N 3.33Å |
| 45 | Q | 92.6 | Very high | 88.1 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 178.1 | -72.5 | -67 | -2.2 | 0 | 0 | 112.8 | L31 K41 N47 K48 A49 E67 A68 | L31-Q45 HydrophobicContact CD2-CG 4.28Å; K41-Q45 WeakPolarHBondContact O-CG 3.18Å; K41-Q45 PolarHBondContact O-N 3.05Å; Q45-N47 PolarHBondContact O-N 3.26Å; Q45-K48 PolarHBondContact O-N 3.06Å; Q45-A49 WeakPolarHBondContact O-CB 3.44Å; Q45-A49 PolarHBondContact O-N 3.4Å; Q45-E67 VanDerWaalsContact CD-OE2 3.3Å; Q45-E67 HydrophobicContact CG-CB 4.41Å; Q45-E67 PolarHBondContact NE2-OE2 3.39Å; Q45-A68 HydrophobicContact CB-CB 3.92Å |
| 46 | R | 92.4 | Very high | 89 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 15% | 0.151 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.5 | -48.8 | 172 | -90.4 | -174.4 | -98.6 | -165.3 | 2.7 | 112.6 | L42 V43 L44 Q50 A68 D75 A78 R81 | L42-R46 VanDerWaalsContact O-CB 3.29Å; L42-R46 WeakPolarHBondContact O-CB 3.34Å; L42-R46 VanDerWaalsContact O-CG 3.23Å; L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.04Å; L42-R46 PolarHBondContact O-NE 3.2Å; V43-R46 WeakPolarHBondContact O-CB 3.44Å; V43-R46 PolarHBondContact O-N 3.19Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.39Å; R46-Q50 PolarHBondContact O-N 3.38Å; R46-A68 HydrophobicContact CG-CB 4.21Å; R46-D75 WeakPolarHBondContact CD-OD2 3.47Å; R46-D75 IonicContact CZ-OD1 3.4Å; R46-D75 IonicContact CZ-OD2 3.01Å; R46-D75 IonicContact NE-OD1 3.79Å; R46-D75 IonicContact NE-OD2 3.33Å; R46-D75 VanDerWaalsContact NH1-CG 3.31Å; R46-D75 IonicContact NH1-OD1 2.61Å; R46-D75 PolarHBondContact NH1-OD1 3.11Å; R46-D75 IonicContact NH1-OD2 3.92Å; R46-D75 PolarHBondContact NH1-OD2 3.25Å; R46-D75 IonicContact NH2-OD1 2.77Å; R46-A78 HydrophobicContact CG-CB 4.28Å; R46-R81 WeakPolarHBondContact O-CD 3.36Å; R46-R81 PolarHBondContact O-NE 2.88Å; R46-R81 PolarHBondContact O-NH1 3.27Å |
| 47 | N | 92.1 | Very high | 90 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.5 | -37.1 | -179.2 | -69.8 | -2.8 | 0 | 0 | 0 | 111.4 | N12 Y27 V43 L44 Q45 Q50 C51 | N12-N47 PolarHBondContact OD1-ND2 2.77Å; Y27-N47 HydrophobicContact CD2-CB 4.34Å; Y27-N47 HydrophobicContact CE1-CB 4.15Å; Y27-N47 HydrophobicContact CE2-CB 3.67Å; Y27-N47 PolarHBondContact OH-ND2 2.74Å; V43-N47 PolarHBondContact O-N 2.71Å; V43-N47 VanDerWaalsContact O-N 3.09Å; L44-N47 PolarHBondContact O-N 3.42Å; L44-N47 VanDerWaalsContact O-N 3.14Å; Q45-N47 PolarHBondContact O-N 3.26Å; N47-Q50 WeakPolarHBondContact O-CB 3.39Å; N47-Q50 PolarHBondContact O-N 3.18Å; N47-C51 PolarHBondContact O-N 3Å; N47-C51 PolarHBondContact O-SG 3.26Å |
| 48 | K | 93 | Very high | 90.6 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 173.9 | -165.1 | -177.1 | -175.1 | 179.5 | 0 | 111.9 | I24 D28 L44 Q45 Q50 C51 F52 A64 | I24-K48 HydrophobicContact CG1-CG 4.34Å; I24-K48 HydrophobicContact CG2-CG 4.33Å; D28-K48 VanDerWaalsContact OD1-CE 3.25Å; D28-K48 WeakPolarHBondContact OD1-CE 3.39Å; D28-K48 IonicContact OD1-NZ 3.44Å; D28-K48 PolarHBondContact OD1-NZ 3Å; D28-K48 WeakPolarHBondContact OD2-CE 3.49Å; D28-K48 IonicContact OD2-NZ 3.93Å; D28-K48 PolarHBondContact OD2-NZ 2.92Å; L44-K48 WeakPolarHBondContact O-CB 3.39Å; L44-K48 PolarHBondContact O-N 3.33Å; Q45-K48 PolarHBondContact O-N 3.06Å; K48-Q50 VanDerWaalsContact C-N 3.27Å; K48-Q50 PolarHBondContact O-N 3.4Å; K48-C51 WeakPolarHBondContact O-CB 3.5Å; K48-C51 PolarHBondContact O-N 3.3Å; K48-C51 VanDerWaalsContact O-N 3.07Å; K48-F52 HydrophobicContact CD-CE2 3.96Å; K48-F52 HydrophobicContact CG-CD2 4.1Å; K48-F52 HydrophobicContact CG-CE2 3.65Å; K48-F52 HydrophobicContact CG-CZ 4.37Å; K48-F52 WeakPolarHBondContact O-CD2 3.48Å; K48-F52 PolarHBondContact O-N 3.4Å; K48-A64 HydrophobicContact CB-CB 4.42Å; K48-A64 HydrophobicContact CD-CB 4.48Å; K48-A64 HydrophobicContact CG-CB 4.46Å |
| 49 | A | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q45 F52 L53 A64 A65 R81 | Q45-A49 WeakPolarHBondContact O-CB 3.44Å; Q45-A49 PolarHBondContact O-N 3.4Å; A49-F52 PolarHBondContact O-N 3.36Å; A49-L53 WeakPolarHBondContact O-CG 3.47Å; A49-L53 PolarHBondContact O-N 3.35Å; A49-A64 HydrophobicContact CB-CB 3.88Å; A49-A65 HydrophobicContact CB-CB 4.12Å; A49-R81 HydrophobicContact CB-CB 4.34Å |
| 50 | Q | 94.6 | Very high | 91.3 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.2 | -167.1 | 62.5 | 53.1 | 0 | 0 | 112.5 | F15 R46 N47 K48 F52 L53 N54 | F15-Q50 HydrophobicContact CE2-CB 4.22Å; F15-Q50 HydrophobicContact CE2-CG 3.92Å; F15-Q50 HydrophobicContact CZ-CB 4.35Å; F15-Q50 HydrophobicContact CZ-CG 3.65Å; R46-Q50 PolarHBondContact O-N 3.38Å; N47-Q50 WeakPolarHBondContact O-CB 3.39Å; N47-Q50 PolarHBondContact O-N 3.18Å; K48-Q50 VanDerWaalsContact C-N 3.27Å; K48-Q50 PolarHBondContact O-N 3.4Å; Q50-F52 VanDerWaalsContact C-N 3.32Å; Q50-F52 PolarHBondContact O-N 3.3Å; Q50-L53 PolarHBondContact O-N 3.28Å; Q50-N54 PolarHBondContact NE2-OD1 3.48Å; Q50-N54 VanDerWaalsContact NE2-OD1 3.15Å; Q50-N54 PolarHBondContact O-N 2.81Å; Q50-N54 PolarHBondContact O-OD1 3.38Å |
| 51 | C | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | F15 I24 N47 K48 N54 L55 | F15-C51 WeakPolarHBondContact CD2-SG 3.5Å; I24-C51 HydrophobicContact CD1-CB 3.58Å; I24-C51 HydrophobicContact CG1-CB 3.46Å; I24-C51 VanDerWaalsContact CG1-CB 3.46Å; N47-C51 PolarHBondContact O-N 3Å; N47-C51 PolarHBondContact O-SG 3.26Å; K48-C51 WeakPolarHBondContact O-CB 3.5Å; K48-C51 PolarHBondContact O-N 3.3Å; K48-C51 VanDerWaalsContact O-N 3.07Å; C51-N54 PolarHBondContact O-N 2.85Å; C51-L55 WeakPolarHBondContact O-CG 3.44Å; C51-L55 PolarHBondContact O-N 3.06Å |
| 52 | F | 95.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 33.8 Ų | 33.8 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | 178.3 | -72.9 | -52.1 | 0 | 0 | 0 | 113.5 | I24 K48 A49 Q50 N54 L55 G56 N57 D60 A61 A64 | I24-F52 HydrophobicContact CD1-CD1 3.84Å; I24-F52 HydrophobicContact CD1-CE1 3.7Å; I24-F52 HydrophobicContact CD1-CG 4.43Å; I24-F52 HydrophobicContact CD1-CZ 4.2Å; I24-F52 HydrophobicContact CG2-CZ 4.29Å; K48-F52 HydrophobicContact CD-CE2 3.96Å; K48-F52 HydrophobicContact CG-CD2 4.1Å; K48-F52 HydrophobicContact CG-CE2 3.65Å; K48-F52 HydrophobicContact CG-CZ 4.37Å; K48-F52 WeakPolarHBondContact O-CD2 3.48Å; K48-F52 PolarHBondContact O-N 3.4Å; A49-F52 PolarHBondContact O-N 3.36Å; Q50-F52 VanDerWaalsContact C-N 3.32Å; Q50-F52 PolarHBondContact O-N 3.3Å; F52-N54 VanDerWaalsContact C-N 3.33Å; F52-N54 PolarHBondContact O-N 3.29Å; F52-L55 CarbonylContact O-C 3.57Å; F52-L55 PolarHBondContact O-N 3.23Å; F52-L55 VanDerWaalsContact O-N 3.17Å; F52-G56 PolarHBondContact O-N 3.42Å; F52-N57 PolarHBondContact O-N 3.02Å; F52-N57 VanDerWaalsContact O-N 3.07Å; F52-D60 HydrophobicContact CD1-CB 3.81Å; F52-D60 HydrophobicContact CD2-CB 3.82Å; F52-D60 HydrophobicContact CE1-CB 3.82Å; F52-D60 HydrophobicContact CE2-CB 3.79Å; F52-D60 HydrophobicContact CG-CB 3.83Å; F52-D60 HydrophobicContact CZ-CB 3.81Å; F52-A61 HydrophobicContact CB-CB 3.67Å; F52-A64 HydrophobicContact CD2-CB 4.24Å; F52-A64 HydrophobicContact CE2-CB 4.4Å |
| 53 | L | 93.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 173 | -73.3 | 172.1 | 0 | 0 | 0 | 111.5 | A49 Q50 L55 G56 F58 A61 R81 Q84 A85 | A49-L53 WeakPolarHBondContact O-CG 3.47Å; A49-L53 PolarHBondContact O-N 3.35Å; Q50-L53 PolarHBondContact O-N 3.28Å; L53-L55 PolarHBondContact O-N 2.91Å; L53-G56 PolarHBondContact O-N 3.26Å; L53-F58 HydrophobicContact CD2-CD1 4.21Å; L53-A61 HydrophobicContact CD2-CB 3.75Å; L53-A61 HydrophobicContact CG-CB 3.81Å; L53-R81 HydrophobicContact CD1-CB 3.67Å; L53-R81 HydrophobicContact CD1-CG 3.75Å; L53-Q84 HydrophobicContact CD1-CB 4.16Å; L53-Q84 HydrophobicContact CD2-CB 4.05Å; L53-A85 HydrophobicContact CD2-CB 4.08Å |
| 54 | N | 91.8 | Very high | 92.4 | Very high | 70 Ų | 70 | 34.8 Ų | 34.8 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67 | -24.6 | 178 | -68.6 | 4.6 | 0 | 0 | 0 | 112.7 | Y20 Q50 C51 F52 G56 | Y20-N54 HydrophobicContact CD2-CB 3.9Å; Y20-N54 HydrophobicContact CE1-CB 4.37Å; Y20-N54 WeakPolarHBondContact CE1-ND2 3.32Å; Y20-N54 HydrophobicContact CE2-CB 3.67Å; Y20-N54 HydrophobicContact CG-CB 4.34Å; Y20-N54 PolarHBondContact OH-ND2 3.12Å; Q50-N54 PolarHBondContact NE2-OD1 3.48Å; Q50-N54 VanDerWaalsContact NE2-OD1 3.15Å; Q50-N54 PolarHBondContact O-N 2.81Å; Q50-N54 PolarHBondContact O-OD1 3.38Å; C51-N54 PolarHBondContact O-N 2.85Å; F52-N54 VanDerWaalsContact C-N 3.33Å; F52-N54 PolarHBondContact O-N 3.29Å; N54-G56 VanDerWaalsContact C-N 3.33Å |
| 55 | L | 91.1 | Very high | 92.6 | Very high | 68 Ų | 68 | 34.8 Ų | 34.8 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.1 | 173.3 | -70.2 | 172 | 0 | 0 | 0 | 113.5 | Y20 R21 I24 C51 F52 L53 N57 | Y20-L55 HydrophobicContact CD2-CD2 4.29Å; Y20-L55 HydrophobicContact CD2-CG 4.46Å; R21-L55 HydrophobicContact CG-CD1 3.95Å; R21-L55 HydrophobicContact CG-CD2 4.32Å; I24-L55 HydrophobicContact CD1-CD1 3.81Å; C51-L55 WeakPolarHBondContact O-CG 3.44Å; C51-L55 PolarHBondContact O-N 3.06Å; F52-L55 CarbonylContact O-C 3.57Å; F52-L55 PolarHBondContact O-N 3.23Å; F52-L55 VanDerWaalsContact O-N 3.17Å; L53-L55 PolarHBondContact O-N 2.91Å; L55-N57 PolarHBondContact O-N 3.2Å |
| 56 | G | 88.5 | Confident | 92.7 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 10.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F52 L53 N54 F58 | F52-G56 PolarHBondContact O-N 3.42Å; L53-G56 PolarHBondContact O-N 3.26Å; N54-G56 VanDerWaalsContact C-N 3.33Å; G56-F58 WeakPolarHBondContact O-CD2 3.4Å; G56-F58 WeakPolarHBondContact O-CE2 3.4Å; G56-F58 PolarHBondContact O-N 3.24Å |
| 57 | N | 92.2 | Very high | 92.6 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | trans | -91.8 | 84.6 | 178.1 | -173.1 | -10.3 | 0 | 0 | 0 | 110.3 | F52 L55 S59 D60 A61 | F52-N57 PolarHBondContact O-N 3.02Å; F52-N57 VanDerWaalsContact O-N 3.07Å; L55-N57 PolarHBondContact O-N 3.2Å; N57-S59 VanDerWaalsContact C-N 3.32Å; N57-S59 PolarHBondContact O-N 2.99Å; N57-D60 PolarHBondContact ND2-OD2 3.06Å; N57-D60 PolarHBondContact OD1-N 3.4Å; N57-A61 WeakPolarHBondContact O-CB 3.28Å; N57-A61 PolarHBondContact O-N 3.19Å; N57-A61 VanDerWaalsContact O-N 3.12Å | ||
| 58 | F | 92.6 | Very high | 92.6 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.7 | -27 | -173.9 | -52.8 | -61.6 | 0 | 0 | 0 | 113.8 | L53 G56 L62 G88 K89 | L53-F58 HydrophobicContact CD2-CD1 4.21Å; G56-F58 WeakPolarHBondContact O-CD2 3.4Å; G56-F58 WeakPolarHBondContact O-CE2 3.4Å; G56-F58 PolarHBondContact O-N 3.24Å; F58-L62 WeakPolarHBondContact O-CB 3.22Å; F58-L62 PolarHBondContact O-N 3.26Å; F58-G88 WeakPolarHBondContact CD2-O 3.41Å; F58-K89 HydrophobicContact CB-CG 4.12Å |
| 59 | S | 90.2 | Very high | 92.5 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66 | -50.8 | 177.4 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | N57 L62 T63 K89 | N57-S59 VanDerWaalsContact C-N 3.32Å; N57-S59 PolarHBondContact O-N 2.99Å; S59-L62 WeakPolarHBondContact O-CB 3.48Å; S59-L62 PolarHBondContact O-N 3.03Å; S59-T63 PolarHBondContact O-N 3.39Å; S59-T63 VanDerWaalsContact O-N 3.13Å; S59-T63 PolarHBondContact O-OG1 3.45Å; S59-T63 VanDerWaalsContact O-OG1 3.1Å; S59-K89 WeakPolarHBondContact OG-CE 3.25Å; S59-K89 PolarHBondContact OG-NZ 3.17Å |
| 60 | D | 92 | Very high | 92.3 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -73.5 | -31.7 | -178.9 | -66.4 | -28.4 | 0 | 0 | 0 | 111.9 | F52 N57 L62 T63 A64 | F52-D60 HydrophobicContact CD1-CB 3.81Å; F52-D60 HydrophobicContact CD2-CB 3.82Å; F52-D60 HydrophobicContact CE1-CB 3.82Å; F52-D60 HydrophobicContact CE2-CB 3.79Å; F52-D60 HydrophobicContact CG-CB 3.83Å; F52-D60 HydrophobicContact CZ-CB 3.81Å; N57-D60 PolarHBondContact ND2-OD2 3.06Å; N57-D60 PolarHBondContact OD1-N 3.4Å; D60-L62 VanDerWaalsContact C-N 3.31Å; D60-L62 PolarHBondContact O-N 3.45Å; D60-T63 PolarHBondContact O-N 3.28Å; D60-A64 PolarHBondContact O-N 3.34Å |
| 61 | A | 93.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -44.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F52 L53 N57 A65 A85 | F52-A61 HydrophobicContact CB-CB 3.67Å; L53-A61 HydrophobicContact CD2-CB 3.75Å; L53-A61 HydrophobicContact CG-CB 3.81Å; N57-A61 WeakPolarHBondContact O-CB 3.28Å; N57-A61 PolarHBondContact O-N 3.19Å; N57-A61 VanDerWaalsContact O-N 3.12Å; A61-A65 VanDerWaalsContact O-CB 3.24Å; A61-A65 WeakPolarHBondContact O-CB 3.42Å; A61-A65 PolarHBondContact O-N 3.07Å; A61-A85 HydrophobicContact CB-CB 4.14Å |
| 62 | L | 93.2 | Very high | 91.8 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 178.1 | -171.7 | 68.1 | 0 | 0 | 0 | 111 | F58 S59 D60 A65 L66 A85 Y86 | F58-L62 WeakPolarHBondContact O-CB 3.22Å; F58-L62 PolarHBondContact O-N 3.26Å; S59-L62 WeakPolarHBondContact O-CB 3.48Å; S59-L62 PolarHBondContact O-N 3.03Å; D60-L62 VanDerWaalsContact C-N 3.31Å; D60-L62 PolarHBondContact O-N 3.45Å; L62-A65 PolarHBondContact O-N 3.39Å; L62-L66 HydrophobicContact CD1-CD1 4.38Å; L62-L66 HydrophobicContact CD1-CG 4.44Å; L62-L66 HydrophobicContact CD2-CD1 4.48Å; L62-L66 HydrophobicContact CG-CD1 3.93Å; L62-L66 HydrophobicContact CG-CG 4.37Å; L62-L66 WeakPolarHBondContact O-CB 3.38Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.31Å; L62-L66 PolarHBondContact O-N 3.23Å; L62-A85 HydrophobicContact CB-CB 3.99Å; L62-A85 HydrophobicContact CD1-CB 4.11Å; L62-Y86 HydrophobicContact CD1-CD1 4.14Å; L62-Y86 HydrophobicContact CD1-CD2 4.01Å; L62-Y86 HydrophobicContact CD1-CE1 3.85Å; L62-Y86 HydrophobicContact CD1-CE2 3.74Å; L62-Y86 HydrophobicContact CD1-CG 4.19Å; L62-Y86 HydrophobicContact CD2-CD1 4.23Å; L62-Y86 HydrophobicContact CD2-CE1 3.7Å; L62-Y86 HydrophobicContact CG-CE1 4.44Å |
| 63 | T | 92.8 | Very high | 91.4 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 177.9 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | S59 D60 A65 L66 E67 | S59-T63 PolarHBondContact O-N 3.39Å; S59-T63 VanDerWaalsContact O-N 3.13Å; S59-T63 PolarHBondContact O-OG1 3.45Å; S59-T63 VanDerWaalsContact O-OG1 3.1Å; D60-T63 PolarHBondContact O-N 3.28Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 3.45Å; T63-L66 PolarHBondContact O-N 2.89Å; T63-E67 WeakPolarHBondContact O-CG 3.23Å; T63-E67 PolarHBondContact O-N 3.27Å |
| 64 | A | 93.1 | Very high | 91 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K48 A49 F52 D60 A68 | K48-A64 HydrophobicContact CB-CB 4.42Å; K48-A64 HydrophobicContact CD-CB 4.48Å; K48-A64 HydrophobicContact CG-CB 4.46Å; A49-A64 HydrophobicContact CB-CB 3.88Å; F52-A64 HydrophobicContact CD2-CB 4.24Å; F52-A64 HydrophobicContact CE2-CB 4.4Å; D60-A64 PolarHBondContact O-N 3.34Å; A64-A68 PolarHBondContact O-N 3.46Å |
| 65 | A | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A49 A61 L62 T63 A68 L69 R81 C82 | A49-A65 HydrophobicContact CB-CB 4.12Å; A61-A65 VanDerWaalsContact O-CB 3.24Å; A61-A65 WeakPolarHBondContact O-CB 3.42Å; A61-A65 PolarHBondContact O-N 3.07Å; L62-A65 PolarHBondContact O-N 3.39Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 3.45Å; A65-A68 WeakPolarHBondContact O-CB 3.42Å; A65-A68 PolarHBondContact O-N 2.97Å; A65-L69 VanDerWaalsContact O-CG 3.27Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.32Å; A65-R81 HydrophobicContact CB-CB 4.48Å; A65-C82 HydrophobicContact CB-CB 3.95Å |
| 66 | L | 92.9 | Very high | 90.7 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | 175.7 | -71.5 | 173.1 | 0 | 0 | 0 | 112 | L62 T63 A68 L69 S70 | L62-L66 HydrophobicContact CD1-CD1 4.38Å; L62-L66 HydrophobicContact CD1-CG 4.44Å; L62-L66 HydrophobicContact CD2-CD1 4.48Å; L62-L66 HydrophobicContact CG-CD1 3.93Å; L62-L66 HydrophobicContact CG-CG 4.37Å; L62-L66 WeakPolarHBondContact O-CB 3.38Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.31Å; L62-L66 PolarHBondContact O-N 3.23Å; T63-L66 PolarHBondContact O-N 2.89Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-L69 HydrophobicContact CD2-CD1 4.37Å; L66-L69 CarbonylContact O-C 3.53Å; L66-L69 PolarHBondContact O-N 3.2Å; L66-S70 PolarHBondContact O-N 3.02Å |
| 67 | E | 91.6 | Very high | 90.8 | Very high | 84 Ų | 84 | 47.7 Ų | 47.7 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 171.5 | -76.3 | -174.7 | -165.6 | 0 | 0 | 112.4 | Q45 T63 S70 I71 | Q45-E67 VanDerWaalsContact CD-OE2 3.3Å; Q45-E67 HydrophobicContact CG-CB 4.41Å; Q45-E67 PolarHBondContact NE2-OE2 3.39Å; T63-E67 WeakPolarHBondContact O-CG 3.23Å; T63-E67 PolarHBondContact O-N 3.27Å; E67-S70 PolarHBondContact O-N 3.23Å; E67-S70 PolarHBondContact O-OG 3.39Å; E67-I71 WeakPolarHBondContact O-CG1 3.22Å; E67-I71 PolarHBondContact O-N 2.63Å |
| 68 | A | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L42 Q45 R46 A64 A65 L66 S70 I71 S72 A78 | L42-A68 HydrophobicContact CD1-CB 3.95Å; L42-A68 WeakPolarHBondContact CD1-O 3.31Å; Q45-A68 HydrophobicContact CB-CB 3.92Å; R46-A68 HydrophobicContact CG-CB 4.21Å; A64-A68 PolarHBondContact O-N 3.46Å; A65-A68 WeakPolarHBondContact O-CB 3.42Å; A65-A68 PolarHBondContact O-N 2.97Å; L66-A68 VanDerWaalsContact C-N 3.34Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.48Å; A68-I71 PolarHBondContact O-N 3.39Å; A68-S72 PolarHBondContact O-N 3.08Å; A68-A78 HydrophobicContact CB-CB 3.71Å |
| 69 | L | 91.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.1 | -25.2 | 178.7 | -68.5 | 169.2 | 0 | 0 | 0 | 113.6 | A65 L66 I71 S72 P73 A78 L79 C82 | A65-L69 VanDerWaalsContact O-CG 3.27Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.32Å; L66-L69 HydrophobicContact CD2-CD1 4.37Å; L66-L69 CarbonylContact O-C 3.53Å; L66-L69 PolarHBondContact O-N 3.2Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-S72 CarbonylContact O-C 3.32Å; L69-S72 VanDerWaalsContact O-C 3.26Å; L69-P73 WeakPolarHBondContact O-CA 3.45Å; L69-P73 WeakPolarHBondContact O-CD 3.41Å; L69-P73 WeakPolarHBondContact O-CG 3.42Å; L69-A78 HydrophobicContact CD2-CB 3.74Å; L69-A78 HydrophobicContact CG-CB 3.86Å; L69-L79 HydrophobicContact CD1-CD2 3.91Å; L69-L79 HydrophobicContact CD2-CB 4.5Å; L69-L79 HydrophobicContact CD2-CD2 3.62Å; L69-L79 HydrophobicContact CD2-CG 3.63Å; L69-L79 HydrophobicContact CG-CD2 4.45Å; L69-C82 HydrophobicContact CD1-CB 4.07Å |
| 70 | S | 88.9 | Confident | 91 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 66% | 0.664 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -71.1 | -28.5 | 173.6 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | L66 E67 A68 | L66-S70 PolarHBondContact O-N 3.02Å; E67-S70 PolarHBondContact O-N 3.23Å; E67-S70 PolarHBondContact O-OG 3.39Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.48Å |
| 71 | I | 89.5 | Confident | 91 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -80.9 | -44.3 | 174.2 | -58.2 | 164.7 | 0 | 0 | 0 | 110.7 | K38 K41 L42 E67 A68 L69 | K38-I71 HydrophobicContact CB-CG2 4.08Å; K41-I71 HydrophobicContact CB-CD1 4.05Å; K41-I71 HydrophobicContact CD-CD1 3.78Å; K41-I71 HydrophobicContact CG-CD1 3.63Å; L42-I71 HydrophobicContact CB-CB 4.48Å; L42-I71 HydrophobicContact CB-CD1 4.46Å; L42-I71 HydrophobicContact CB-CG2 4.01Å; L42-I71 HydrophobicContact CD1-CB 4.18Å; L42-I71 HydrophobicContact CD1-CG2 4.42Å; E67-I71 WeakPolarHBondContact O-CG1 3.22Å; E67-I71 PolarHBondContact O-N 2.63Å; A68-I71 PolarHBondContact O-N 3.39Å; L69-I71 VanDerWaalsContact C-N 3.3Å |
| 72 | S | 88.1 | Confident | 91 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | trans | -136.9 | 95.9 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | A68 L69 G74 D75 | A68-S72 PolarHBondContact O-N 3.08Å; L69-S72 CarbonylContact O-C 3.32Å; L69-S72 VanDerWaalsContact O-C 3.26Å; S72-G74 PolarHBondContact O-N 2.99Å; S72-G74 VanDerWaalsContact O-N 3.13Å; S72-D75 PolarHBondContact O-N 3.33Å; S72-D75 VanDerWaalsContact O-N 3.16Å | ||
| 73 | P | 86.7 | Confident | 91 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 49% | 0.494 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23 | -177.6 | -26.3 | 34.5 | 0 | 0 | 0 | 114.3 | L69 R101 | L69-P73 WeakPolarHBondContact O-CA 3.45Å; L69-P73 WeakPolarHBondContact O-CD 3.41Å; L69-P73 WeakPolarHBondContact O-CG 3.42Å; P73-R101 PolarHBondContact O-NH2 3.38Å |
| 74 | G | 85.5 | Confident | 91 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 21.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | S72 P76 V105 | S72-G74 PolarHBondContact O-N 2.99Å; S72-G74 VanDerWaalsContact O-N 3.13Å; G74-P76 VanDerWaalsContact O-CD 3.26Å; G74-P76 WeakPolarHBondContact O-CD 3.28Å; G74-V105 WeakPolarHBondContact O-CG1 3.42Å |
| 75 | D | 88.2 | Confident | 91.1 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | trans | -79.6 | 115.8 | -179.7 | -174 | 71.9 | 0 | 0 | 0 | 112.1 | R46 S72 K77 A78 L79 | R46-D75 WeakPolarHBondContact CD-OD2 3.47Å; R46-D75 IonicContact CZ-OD1 3.4Å; R46-D75 IonicContact CZ-OD2 3.01Å; R46-D75 IonicContact NE-OD1 3.79Å; R46-D75 IonicContact NE-OD2 3.33Å; R46-D75 VanDerWaalsContact NH1-CG 3.31Å; R46-D75 IonicContact NH1-OD1 2.61Å; R46-D75 PolarHBondContact NH1-OD1 3.11Å; R46-D75 IonicContact NH1-OD2 3.92Å; R46-D75 PolarHBondContact NH1-OD2 3.25Å; R46-D75 IonicContact NH2-OD1 2.77Å; S72-D75 PolarHBondContact O-N 3.33Å; S72-D75 VanDerWaalsContact O-N 3.16Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 2.7Å; D75-K77 PolarHBondContact OD2-N 3.18Å; D75-A78 HydrophobicContact CB-CB 4.02Å; D75-A78 PolarHBondContact O-N 3.1Å; D75-A78 WeakPolarHBondContact OD2-CB 3.26Å; D75-A78 PolarHBondContact OD2-N 3.35Å; D75-L79 WeakPolarHBondContact O-CG 3.39Å; D75-L79 PolarHBondContact O-N 2.86Å | ||
| 76 | P | 88.9 | Confident | 91.1 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | -175.4 | -22.4 | 33.2 | 0 | 0 | 0 | 113 | G74 Y80 L102 V105 D106 | G74-P76 VanDerWaalsContact O-CD 3.26Å; G74-P76 WeakPolarHBondContact O-CD 3.28Å; P76-Y80 WeakPolarHBondContact O-CB 3.35Å; P76-Y80 PolarHBondContact O-N 3.02Å; P76-L102 VanDerWaalsContact CA-CD1 3.49Å; P76-L102 HydrophobicContact CB-CD1 3.74Å; P76-L102 WeakPolarHBondContact O-CD1 3.16Å; P76-V105 HydrophobicContact CG-CG1 3.97Å; P76-D106 HydrophobicContact CB-CB 4.16Å; P76-D106 HydrophobicContact CG-CB 4.15Å |
| 77 | K | 90.8 | Very high | 91 | Very high | 131 Ų | 131 | 38.1 Ų | 38.1 | 57% | 0.57 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -73 | -38 | -177.6 | -65.4 | -178 | 179 | 178.6 | 0 | 111.6 | D75 R81 | D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 2.7Å; D75-K77 PolarHBondContact OD2-N 3.18Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.44Å; K77-R81 PolarHBondContact O-N 2.94Å |
| 78 | A | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | R46 A68 L69 D75 Y80 R81 C82 | R46-A78 HydrophobicContact CG-CB 4.28Å; A68-A78 HydrophobicContact CB-CB 3.71Å; L69-A78 HydrophobicContact CD2-CB 3.74Å; L69-A78 HydrophobicContact CG-CB 3.86Å; D75-A78 HydrophobicContact CB-CB 4.02Å; D75-A78 PolarHBondContact O-N 3.1Å; D75-A78 WeakPolarHBondContact OD2-CB 3.26Å; D75-A78 PolarHBondContact OD2-N 3.35Å; A78-Y80 PolarHBondContact O-N 3.07Å; A78-R81 PolarHBondContact O-N 3.48Å; A78-C82 VanDerWaalsContact O-CB 3.3Å; A78-C82 WeakPolarHBondContact O-CB 3.21Å; A78-C82 PolarHBondContact O-N 2.75Å |
| 79 | L | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.8 | -75.5 | 174.8 | 0 | 0 | 0 | 112.1 | L69 D75 R81 C82 A83 T98 R101 L102 V105 | L69-L79 HydrophobicContact CD1-CD2 3.91Å; L69-L79 HydrophobicContact CD2-CB 4.5Å; L69-L79 HydrophobicContact CD2-CD2 3.62Å; L69-L79 HydrophobicContact CD2-CG 3.63Å; L69-L79 HydrophobicContact CG-CD2 4.45Å; D75-L79 WeakPolarHBondContact O-CG 3.39Å; D75-L79 PolarHBondContact O-N 2.86Å; L79-R81 PolarHBondContact O-N 2.88Å; L79-C82 WeakPolarHBondContact O-CB 3.43Å; L79-C82 PolarHBondContact O-N 2.96Å; L79-A83 PolarHBondContact O-N 3.05Å; L79-T98 HydrophobicContact CD2-CG2 4.19Å; L79-R101 HydrophobicContact CD1-CG 4.12Å; L79-R101 HydrophobicContact CD2-CG 4.21Å; L79-L102 HydrophobicContact CB-CB 4.03Å; L79-L102 HydrophobicContact CB-CD1 3.92Å; L79-L102 HydrophobicContact CB-CG 4.42Å; L79-L102 HydrophobicContact CD1-CB 4.4Å; L79-L102 HydrophobicContact CD1-CD1 4.42Å; L79-V105 HydrophobicContact CD1-CB 4.45Å; L79-V105 HydrophobicContact CD1-CG2 4.05Å |
| 80 | Y | 93.2 | Very high | 90.3 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 177.7 | -172.1 | -104.7 | 0 | 0 | 0 | 112.2 | P76 A78 C82 A83 Q84 L102 A111 L115 | P76-Y80 WeakPolarHBondContact O-CB 3.35Å; P76-Y80 PolarHBondContact O-N 3.02Å; A78-Y80 PolarHBondContact O-N 3.07Å; Y80-C82 VanDerWaalsContact C-N 3.32Å; Y80-C82 PolarHBondContact O-N 3.22Å; Y80-A83 PolarHBondContact O-N 3.13Å; Y80-Q84 VanDerWaalsContact CE1-CD 3.48Å; Y80-Q84 HydrophobicContact CE1-CG 4.27Å; Y80-Q84 WeakPolarHBondContact O-CG 3.22Å; Y80-Q84 PolarHBondContact O-N 3.26Å; Y80-L102 HydrophobicContact CD2-CD2 3.58Å; Y80-L102 HydrophobicContact CG-CD2 4.11Å; Y80-A111 HydrophobicContact CE2-CB 4Å; Y80-A111 WeakPolarHBondContact CE2-O 3.26Å; Y80-L115 HydrophobicContact CD2-CD2 3.97Å; Y80-L115 HydrophobicContact CE2-CB 4.07Å; Y80-L115 HydrophobicContact CE2-CD2 3.71Å |
| 81 | R | 92.8 | Very high | 90.2 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 178.1 | -68 | 175 | -173 | 134.1 | -15.8 | 112.5 | R46 A49 L53 A65 K77 A78 L79 A85 | R46-R81 WeakPolarHBondContact O-CD 3.36Å; R46-R81 PolarHBondContact O-NE 2.88Å; R46-R81 PolarHBondContact O-NH1 3.27Å; A49-R81 HydrophobicContact CB-CB 4.34Å; L53-R81 HydrophobicContact CD1-CB 3.67Å; L53-R81 HydrophobicContact CD1-CG 3.75Å; A65-R81 HydrophobicContact CB-CB 4.48Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.44Å; K77-R81 PolarHBondContact O-N 2.94Å; A78-R81 PolarHBondContact O-N 3.48Å; L79-R81 PolarHBondContact O-N 2.88Å; R81-A85 WeakPolarHBondContact O-CB 3.44Å; R81-A85 PolarHBondContact O-N 3.37Å |
| 82 | C | 93.2 | Very high | 90 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -46.3 | 173.7 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | A65 L69 A78 L79 Y80 Q84 A85 Y86 T98 | A65-C82 HydrophobicContact CB-CB 3.95Å; L69-C82 HydrophobicContact CD1-CB 4.07Å; A78-C82 VanDerWaalsContact O-CB 3.3Å; A78-C82 WeakPolarHBondContact O-CB 3.21Å; A78-C82 PolarHBondContact O-N 2.75Å; L79-C82 WeakPolarHBondContact O-CB 3.43Å; L79-C82 PolarHBondContact O-N 2.96Å; Y80-C82 VanDerWaalsContact C-N 3.32Å; Y80-C82 PolarHBondContact O-N 3.22Å; C82-Q84 PolarHBondContact O-N 3.41Å; C82-A85 PolarHBondContact O-N 3.29Å; C82-A85 VanDerWaalsContact O-N 3.17Å; C82-Y86 WeakPolarHBondContact O-CD2 3.44Å; C82-Y86 PolarHBondContact O-N 2.85Å; C82-Y86 VanDerWaalsContact SG-CE2 3.52Å; C82-T98 HydrophobicContact CB-CG2 3.89Å |
| 83 | A | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L79 Y80 A85 Y86 E87 T98 L115 | L79-A83 PolarHBondContact O-N 3.05Å; Y80-A83 PolarHBondContact O-N 3.13Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.35Å; A83-Y86 PolarHBondContact O-N 3.27Å; A83-E87 PolarHBondContact O-N 3.43Å; A83-T98 HydrophobicContact CB-CG2 4.02Å; A83-L115 HydrophobicContact CB-CD2 3.7Å |
| 84 | Q | 93.6 | Very high | 90 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 23% | 0.229 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | 174.2 | -70.2 | -176.1 | -49.2 | 0 | 0 | 112.6 | L53 Y80 C82 E87 G88 L115 | L53-Q84 HydrophobicContact CD1-CB 4.16Å; L53-Q84 HydrophobicContact CD2-CB 4.05Å; Y80-Q84 VanDerWaalsContact CE1-CD 3.48Å; Y80-Q84 HydrophobicContact CE1-CG 4.27Å; Y80-Q84 WeakPolarHBondContact O-CG 3.22Å; Y80-Q84 PolarHBondContact O-N 3.26Å; C82-Q84 PolarHBondContact O-N 3.41Å; Q84-E87 PolarHBondContact O-N 2.95Å; Q84-G88 PolarHBondContact O-N 3.27Å; Q84-L115 HydrophobicContact CG-CD2 3.93Å |
| 85 | A | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L53 A61 L62 R81 C82 A83 G88 K89 | L53-A85 HydrophobicContact CD2-CB 4.08Å; A61-A85 HydrophobicContact CB-CB 4.14Å; L62-A85 HydrophobicContact CB-CB 3.99Å; L62-A85 HydrophobicContact CD1-CB 4.11Å; R81-A85 WeakPolarHBondContact O-CB 3.44Å; R81-A85 PolarHBondContact O-N 3.37Å; C82-A85 PolarHBondContact O-N 3.29Å; C82-A85 VanDerWaalsContact O-N 3.17Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.35Å; A85-G88 PolarHBondContact O-N 2.87Å; A85-K89 PolarHBondContact O-N 3.13Å |
| 86 | Y | 94.3 | Very high | 90.3 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | 174 | -78 | -56.2 | 0 | 0 | 0 | 112.6 | L62 C82 A83 K89 G90 M91 E94 | L62-Y86 HydrophobicContact CD1-CD1 4.14Å; L62-Y86 HydrophobicContact CD1-CD2 4.01Å; L62-Y86 HydrophobicContact CD1-CE1 3.85Å; L62-Y86 HydrophobicContact CD1-CE2 3.74Å; L62-Y86 HydrophobicContact CD1-CG 4.19Å; L62-Y86 HydrophobicContact CD2-CD1 4.23Å; L62-Y86 HydrophobicContact CD2-CE1 3.7Å; L62-Y86 HydrophobicContact CG-CE1 4.44Å; C82-Y86 WeakPolarHBondContact O-CD2 3.44Å; C82-Y86 PolarHBondContact O-N 2.85Å; C82-Y86 VanDerWaalsContact SG-CE2 3.52Å; A83-Y86 PolarHBondContact O-N 3.27Å; Y86-K89 PolarHBondContact O-N 3.4Å; Y86-G90 PolarHBondContact O-N 3.31Å; Y86-M91 HydrophobicContact CD1-CB 4.2Å; Y86-M91 HydrophobicContact CD1-SD 4.34Å; Y86-M91 PolarHBondContact O-N 3.1Å; Y86-M91 VanDerWaalsContact O-N 3.15Å; Y86-E94 HydrophobicContact CD1-CB 3.85Å; Y86-E94 HydrophobicContact CD2-CB 4.21Å; Y86-E94 HydrophobicContact CE1-CB 3.92Å; Y86-E94 HydrophobicContact CE2-CB 4.26Å; Y86-E94 HydrophobicContact CG-CB 4.02Å |
| 87 | E | 90.2 | Very high | 90.3 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 173.7 | -174.8 | -172.6 | -168.6 | 0 | 0 | 110.7 | A83 Q84 K89 G90 L115 K118 L119 | A83-E87 PolarHBondContact O-N 3.43Å; Q84-E87 PolarHBondContact O-N 2.95Å; E87-K89 PolarHBondContact O-N 2.71Å; E87-G90 PolarHBondContact O-N 3.42Å; E87-L115 VanDerWaalsContact OE2-CD1 3.29Å; E87-L115 WeakPolarHBondContact OE2-CD1 3.06Å; E87-K118 WeakPolarHBondContact OE1-CE 3.39Å; E87-K118 IonicContact OE1-NZ 3.15Å; E87-K118 PolarHBondContact OE1-NZ 3.47Å; E87-L119 HydrophobicContact CB-CD2 4.11Å; E87-L119 HydrophobicContact CG-CD2 3.9Å |
| 88 | G | 87.1 | Confident | 90.2 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -23.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F58 Q84 A85 | F58-G88 WeakPolarHBondContact CD2-O 3.41Å; Q84-G88 PolarHBondContact O-N 3.27Å; A85-G88 PolarHBondContact O-N 2.87Å |
| 89 | K | 88.8 | Confident | 90.2 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.2 | 173.4 | -90 | -168.5 | 165.2 | 178.6 | 0 | 114.6 | F58 S59 A85 Y86 E87 M91 | F58-K89 HydrophobicContact CB-CG 4.12Å; S59-K89 WeakPolarHBondContact OG-CE 3.25Å; S59-K89 PolarHBondContact OG-NZ 3.17Å; A85-K89 PolarHBondContact O-N 3.13Å; Y86-K89 PolarHBondContact O-N 3.4Å; E87-K89 PolarHBondContact O-N 2.71Å; K89-M91 VanDerWaalsContact C-N 3.26Å; K89-M91 HydrophobicContact CB-CG 4.33Å; K89-M91 PolarHBondContact O-N 2.54Å |
| 90 | G | 84.1 | Confident | 90 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 55% | 0.546 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 9.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y86 E87 L92 | Y86-G90 PolarHBondContact O-N 3.31Å; E87-G90 PolarHBondContact O-N 3.42Å; G90-L92 VanDerWaalsContact C-N 3.3Å; G90-L92 PolarHBondContact O-N 3.24Å |
| 91 | M | 87.5 | Confident | 89.8 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | trans | -85.7 | 71.4 | 178.1 | -68.4 | -177.8 | 69.7 | 0 | 0 | 110 | Y86 K89 K93 E94 A95 | Y86-M91 HydrophobicContact CD1-CB 4.2Å; Y86-M91 HydrophobicContact CD1-SD 4.34Å; Y86-M91 PolarHBondContact O-N 3.1Å; Y86-M91 VanDerWaalsContact O-N 3.15Å; K89-M91 VanDerWaalsContact C-N 3.26Å; K89-M91 HydrophobicContact CB-CG 4.33Å; K89-M91 PolarHBondContact O-N 2.54Å; M91-K93 VanDerWaalsContact C-N 3.31Å; M91-K93 PolarHBondContact O-N 3Å; M91-E94 HydrophobicContact CB-CB 4.47Å; M91-E94 WeakPolarHBondContact CB-OE2 3.48Å; M91-E94 VanDerWaalsContact CE-CD 3.46Å; M91-E94 HydrophobicContact CE-CG 3.92Å; M91-E94 WeakPolarHBondContact CE-OE1 3.33Å; M91-E94 PolarHBondContact O-N 3.42Å; M91-A95 WeakPolarHBondContact O-CB 3.42Å; M91-A95 PolarHBondContact O-N 3.08Å | ||
| 92 | L | 85.9 | Confident | 89.7 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -30.1 | -168.3 | -62.2 | 177.5 | 0 | 0 | 0 | 113.9 | G90 L96 L119 V123 | G90-L92 VanDerWaalsContact C-N 3.3Å; G90-L92 PolarHBondContact O-N 3.24Å; L92-L96 VanDerWaalsContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.28Å; L92-L96 PolarHBondContact O-N 3.02Å; L92-L119 HydrophobicContact CD2-CD2 4.14Å; L92-V123 HydrophobicContact CB-CG2 3.75Å; L92-V123 HydrophobicContact CD1-CG2 4.43Å |
| 93 | K | 85.6 | Confident | 89.5 | Confident | 156 Ų | 156 | 54.8 Ų | 54.8 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -69.9 | -49.5 | 179.5 | -71.5 | -174.1 | 178.1 | -177.2 | 0 | 111.3 | M91 A95 L96 E97 | M91-K93 VanDerWaalsContact C-N 3.31Å; M91-K93 PolarHBondContact O-N 3Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 3.06Å; K93-L96 WeakPolarHBondContact O-CB 3.24Å; K93-L96 PolarHBondContact O-N 3.2Å; K93-E97 WeakPolarHBondContact O-CG 3.4Å; K93-E97 PolarHBondContact O-N 2.54Å |
| 94 | E | 89.5 | Confident | 89.3 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 179.7 | -62.9 | 83.9 | 167.4 | 0 | 0 | 111 | Y86 M91 T98 | Y86-E94 HydrophobicContact CD1-CB 3.85Å; Y86-E94 HydrophobicContact CD2-CB 4.21Å; Y86-E94 HydrophobicContact CE1-CB 3.92Å; Y86-E94 HydrophobicContact CE2-CB 4.26Å; Y86-E94 HydrophobicContact CG-CB 4.02Å; M91-E94 HydrophobicContact CB-CB 4.47Å; M91-E94 WeakPolarHBondContact CB-OE2 3.48Å; M91-E94 VanDerWaalsContact CE-CD 3.46Å; M91-E94 HydrophobicContact CE-CG 3.92Å; M91-E94 WeakPolarHBondContact CE-OE1 3.33Å; M91-E94 PolarHBondContact O-N 3.42Å; E94-T98 WeakPolarHBondContact O-CB 3.39Å; E94-T98 PolarHBondContact O-N 3.39Å; E94-T98 PolarHBondContact O-OG1 3.33Å |
| 95 | A | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M91 K93 T98 G99 L119 | M91-A95 WeakPolarHBondContact O-CB 3.42Å; M91-A95 PolarHBondContact O-N 3.08Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 3.06Å; A95-T98 PolarHBondContact O-N 2.98Å; A95-G99 PolarHBondContact O-N 3.42Å; A95-L119 HydrophobicContact CB-CD1 3.74Å; A95-L119 HydrophobicContact CB-CD2 3.78Å; A95-L119 HydrophobicContact CB-CG 4.41Å |
| 96 | L | 89.2 | Confident | 88.8 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | -179.7 | -178 | 73 | 0 | 0 | 0 | 112.1 | L92 K93 T98 G99 R100 T116 L119 E120 | L92-L96 VanDerWaalsContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.28Å; L92-L96 PolarHBondContact O-N 3.02Å; K93-L96 WeakPolarHBondContact O-CB 3.24Å; K93-L96 PolarHBondContact O-N 3.2Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.26Å; L96-G99 PolarHBondContact O-N 2.87Å; L96-R100 WeakPolarHBondContact O-CG 3.39Å; L96-R100 PolarHBondContact O-N 3.29Å; L96-T116 HydrophobicContact CD1-CG2 4.02Å; L96-L119 HydrophobicContact CD1-CB 4.08Å; L96-E120 HydrophobicContact CD1-CB 4.32Å; L96-E120 HydrophobicContact CD1-CG 3.25Å; L96-E120 HydrophobicContact CG-CG 4.5Å |
| 97 | E | 89.5 | Confident | 88.4 | Confident | 135 Ų | 135 | 66.6 Ų | 66.6 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60 | -42.3 | 176.6 | -74.5 | 179.4 | -177.3 | 0 | 0 | 111.5 | K93 R100 R101 | K93-E97 WeakPolarHBondContact O-CG 3.4Å; K93-E97 PolarHBondContact O-N 2.54Å; E97-R100 PolarHBondContact O-N 2.96Å; E97-R101 WeakPolarHBondContact O-CB 3.49Å; E97-R101 PolarHBondContact O-N 3.42Å |
| 98 | T | 90 | Very high | 88.2 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 176.7 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | L79 C82 A83 E94 A95 L96 R101 L102 | L79-T98 HydrophobicContact CD2-CG2 4.19Å; C82-T98 HydrophobicContact CB-CG2 3.89Å; A83-T98 HydrophobicContact CB-CG2 4.02Å; E94-T98 WeakPolarHBondContact O-CB 3.39Å; E94-T98 PolarHBondContact O-N 3.39Å; E94-T98 PolarHBondContact O-OG1 3.33Å; A95-T98 PolarHBondContact O-N 2.98Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.26Å; T98-R101 PolarHBondContact O-N 3.37Å; T98-L102 PolarHBondContact O-N 3.3Å |
| 99 | G | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A95 L96 R101 L102 I103 T116 | A95-G99 PolarHBondContact O-N 3.42Å; L96-G99 PolarHBondContact O-N 2.87Å; G99-R101 PolarHBondContact O-N 3.4Å; G99-L102 WeakPolarHBondContact O-CB 3.22Å; G99-L102 PolarHBondContact O-N 2.89Å; G99-L102 VanDerWaalsContact O-N 3.14Å; G99-I103 PolarHBondContact O-N 3.19Å; G99-T116 VanDerWaalsContact C-OG1 3.32Å; G99-T116 WeakPolarHBondContact CA-OG1 3.32Å; G99-T116 PolarHBondContact O-OG1 3.3Å |
| 100 | R | 90.6 | Very high | 88.2 | Confident | 134 Ų | 134 | 78 Ų | 78 | 51% | 0.506 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 174.5 | -74.1 | 175.3 | 174.2 | 175.1 | -1.8 | 112.3 | L96 E97 L102 I103 L104 T116 E120 | L96-R100 WeakPolarHBondContact O-CG 3.39Å; L96-R100 PolarHBondContact O-N 3.29Å; E97-R100 PolarHBondContact O-N 2.96Å; R100-L102 VanDerWaalsContact C-N 3.28Å; R100-L102 PolarHBondContact O-N 3.3Å; R100-I103 PolarHBondContact O-N 3.41Å; R100-L104 PolarHBondContact O-N 3.38Å; R100-T116 HydrophobicContact CG-CG2 4.07Å; R100-E120 IonicContact CZ-OE1 3.82Å; R100-E120 IonicContact NE-OE1 3.72Å; R100-E120 PolarHBondContact NE-OE1 3.14Å; R100-E120 IonicContact NH2-OE1 3.63Å; R100-E120 PolarHBondContact NH2-OE1 3.12Å |
| 101 | R | 88.9 | Confident | 88.3 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 42% | 0.419 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 174.1 | -178.9 | 175.6 | 159.6 | -169.4 | -5.4 | 111.7 | P73 L79 E97 T98 G99 L104 V105 | P73-R101 PolarHBondContact O-NH2 3.38Å; L79-R101 HydrophobicContact CD1-CG 4.12Å; L79-R101 HydrophobicContact CD2-CG 4.21Å; E97-R101 WeakPolarHBondContact O-CB 3.49Å; E97-R101 PolarHBondContact O-N 3.42Å; T98-R101 PolarHBondContact O-N 3.37Å; G99-R101 PolarHBondContact O-N 3.4Å; R101-L104 WeakPolarHBondContact O-CB 3.24Å; R101-L104 PolarHBondContact O-N 3.03Å; R101-V105 WeakPolarHBondContact O-CG2 3.24Å; R101-V105 PolarHBondContact O-N 3.32Å |
| 102 | L | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 174.5 | 175.1 | 59.2 | 0 | 0 | 0 | 112.4 | P76 L79 Y80 T98 G99 R100 L104 V105 D106 A112 | P76-L102 VanDerWaalsContact CA-CD1 3.49Å; P76-L102 HydrophobicContact CB-CD1 3.74Å; P76-L102 WeakPolarHBondContact O-CD1 3.16Å; L79-L102 HydrophobicContact CB-CB 4.03Å; L79-L102 HydrophobicContact CB-CD1 3.92Å; L79-L102 HydrophobicContact CB-CG 4.42Å; L79-L102 HydrophobicContact CD1-CB 4.4Å; L79-L102 HydrophobicContact CD1-CD1 4.42Å; Y80-L102 HydrophobicContact CD2-CD2 3.58Å; Y80-L102 HydrophobicContact CG-CD2 4.11Å; T98-L102 PolarHBondContact O-N 3.3Å; G99-L102 WeakPolarHBondContact O-CB 3.22Å; G99-L102 PolarHBondContact O-N 2.89Å; G99-L102 VanDerWaalsContact O-N 3.14Å; R100-L102 VanDerWaalsContact C-N 3.28Å; R100-L102 PolarHBondContact O-N 3.3Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 2.9Å; L102-V105 PolarHBondContact O-N 3.26Å; L102-D106 PolarHBondContact O-N 3.28Å; L102-A112 HydrophobicContact CD2-CB 3.3Å; L102-A112 HydrophobicContact CG-CB 3.51Å |
| 103 | I | 88.9 | Confident | 88.4 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 176.8 | -66.6 | 172.2 | 0 | 0 | 0 | 111.1 | G99 R100 V105 D106 P107 A112 Q113 T116 | G99-I103 PolarHBondContact O-N 3.19Å; R100-I103 PolarHBondContact O-N 3.41Å; I103-V105 VanDerWaalsContact C-N 3.3Å; I103-V105 PolarHBondContact O-N 3.08Å; I103-D106 CarbonylContact O-C 3.57Å; I103-P107 WeakPolarHBondContact O-CA 3.31Å; I103-P107 WeakPolarHBondContact O-CD 3.33Å; I103-P107 WeakPolarHBondContact O-CG 3.31Å; I103-P107 VanDerWaalsContact O-N 3.1Å; I103-A112 HydrophobicContact CG1-CB 4.35Å; I103-Q113 HydrophobicContact CD1-CG 4.44Å; I103-Q113 HydrophobicContact CG1-CG 4.46Å; I103-T116 HydrophobicContact CD1-CG2 3.89Å; I103-T116 WeakPolarHBondContact CD1-OG1 3.26Å |
| 104 | L | 88.5 | Confident | 88.6 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 75% | 0.754 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 177.3 | -169.7 | 76.8 | 0 | 0 | 0 | 112.2 | R100 R101 L102 | R100-L104 PolarHBondContact O-N 3.38Å; R101-L104 WeakPolarHBondContact O-CB 3.24Å; R101-L104 PolarHBondContact O-N 3.03Å; L102-L104 VanDerWaalsContact C-N 3.27Å; L102-L104 PolarHBondContact O-N 2.9Å |
| 105 | V | 88.9 | Confident | 88.6 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 38% | 0.376 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -78.8 | -41.1 | -178.7 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | G74 P76 L79 R101 L102 I103 | G74-V105 WeakPolarHBondContact O-CG1 3.42Å; P76-V105 HydrophobicContact CG-CG1 3.97Å; L79-V105 HydrophobicContact CD1-CB 4.45Å; L79-V105 HydrophobicContact CD1-CG2 4.05Å; R101-V105 WeakPolarHBondContact O-CG2 3.24Å; R101-V105 PolarHBondContact O-N 3.32Å; L102-V105 PolarHBondContact O-N 3.26Å; I103-V105 VanDerWaalsContact C-N 3.3Å; I103-V105 PolarHBondContact O-N 3.08Å |
| 106 | D | 87.7 | Confident | 88.6 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | trans | -132.2 | 82.2 | 179.3 | -172 | -1 | 0 | 0 | 0 | 111.4 | P76 L102 I103 R108 N109 | P76-D106 HydrophobicContact CB-CB 4.16Å; P76-D106 HydrophobicContact CG-CB 4.15Å; L102-D106 PolarHBondContact O-N 3.28Å; I103-D106 CarbonylContact O-C 3.57Å; D106-R108 PolarHBondContact O-N 3.31Å; D106-R108 VanDerWaalsContact O-N 3.12Å; D106-R108 PolarHBondContact OD1-N 3.44Å; D106-N109 HydrophobicContact CB-CB 4.14Å; D106-N109 WeakPolarHBondContact O-CB 3.36Å; D106-N109 PolarHBondContact O-N 2.86Å; D106-N109 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 107 | P | 86.5 | Confident | 88.6 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.9 | -176.1 | -23.4 | 33 | 0 | 0 | 0 | 114.4 | I103 Q113 | I103-P107 WeakPolarHBondContact O-CA 3.31Å; I103-P107 WeakPolarHBondContact O-CD 3.33Å; I103-P107 WeakPolarHBondContact O-CG 3.31Å; I103-P107 VanDerWaalsContact O-N 3.1Å; P107-Q113 PolarHBondContact O-NE2 3.11Å |
| 108 | R | 86.2 | Confident | 88.5 | Confident | 231 Ų | 231 | 73.8 Ų | 73.8 | 87% | 0.872 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -3.5 | -177.5 | -56.5 | -176.2 | -149.1 | 177.6 | 7 | 112.7 | D106 K110 | D106-R108 PolarHBondContact O-N 3.31Å; D106-R108 VanDerWaalsContact O-N 3.12Å; D106-R108 PolarHBondContact OD1-N 3.44Å; R108-K110 PolarHBondContact O-N 2.82Å; R108-K110 VanDerWaalsContact O-N 3.1Å |
| 109 | N | 88.1 | Confident | 88.5 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 21% | 0.214 | 35% | 0.345 | C | S | . | . | trans | -75.8 | 98.6 | -179 | -170.2 | -24.2 | 0 | 0 | 0 | 111.5 | D106 A111 A112 Q113 | D106-N109 HydrophobicContact CB-CB 4.14Å; D106-N109 WeakPolarHBondContact O-CB 3.36Å; D106-N109 PolarHBondContact O-N 2.86Å; D106-N109 WeakPolarHBondContact OD2-CB 3.39Å; N109-A111 VanDerWaalsContact C-N 3.31Å; N109-A111 PolarHBondContact O-N 3.26Å; N109-A111 PolarHBondContact OD1-N 3.49Å; N109-A112 HydrophobicContact CB-CB 3.89Å; N109-A112 WeakPolarHBondContact O-CB 3.48Å; N109-A112 PolarHBondContact O-N 3.41Å; N109-A112 VanDerWaalsContact O-N 3.14Å; N109-A112 PolarHBondContact OD1-N 3.08Å; N109-Q113 PolarHBondContact O-N 3.2Å; N109-Q113 VanDerWaalsContact O-N 3.14Å | ||
| 110 | K | 87.6 | Confident | 88.4 | Confident | 151 Ų | 151 | 76.3 Ų | 76.3 | 66% | 0.657 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.1 | -38.3 | -179.1 | -163.9 | 166 | -175.3 | 174.4 | 0 | 113.1 | R108 A112 Q113 D114 | R108-K110 PolarHBondContact O-N 2.82Å; R108-K110 VanDerWaalsContact O-N 3.1Å; K110-A112 VanDerWaalsContact C-N 3.29Å; K110-A112 PolarHBondContact O-N 2.92Å; K110-Q113 WeakPolarHBondContact O-CB 3.44Å; K110-Q113 PolarHBondContact O-N 2.89Å; K110-D114 PolarHBondContact O-N 2.59Å |
| 111 | A | 86.2 | Confident | 88.2 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y80 N109 L115 | Y80-A111 HydrophobicContact CE2-CB 4Å; Y80-A111 WeakPolarHBondContact CE2-O 3.26Å; N109-A111 VanDerWaalsContact C-N 3.31Å; N109-A111 PolarHBondContact O-N 3.26Å; N109-A111 PolarHBondContact OD1-N 3.49Å; A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 PolarHBondContact O-N 3.22Å |
| 112 | A | 86.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L102 I103 N109 K110 T116 | L102-A112 HydrophobicContact CD2-CB 3.3Å; L102-A112 HydrophobicContact CG-CB 3.51Å; I103-A112 HydrophobicContact CG1-CB 4.35Å; N109-A112 HydrophobicContact CB-CB 3.89Å; N109-A112 WeakPolarHBondContact O-CB 3.48Å; N109-A112 PolarHBondContact O-N 3.41Å; N109-A112 VanDerWaalsContact O-N 3.14Å; N109-A112 PolarHBondContact OD1-N 3.08Å; K110-A112 VanDerWaalsContact C-N 3.29Å; K110-A112 PolarHBondContact O-N 2.92Å; A112-T116 WeakPolarHBondContact O-CB 3.25Å; A112-T116 PolarHBondContact O-N 3.17Å; A112-T116 PolarHBondContact O-OG1 3.12Å |
| 113 | Q | 88.9 | Confident | 87.7 | Confident | 85 Ų | 85 | 72 Ų | 72 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 175.4 | -66.9 | 175.3 | -11.3 | 0 | 0 | 110.6 | I103 P107 N109 K110 L115 T116 H117 | I103-Q113 HydrophobicContact CD1-CG 4.44Å; I103-Q113 HydrophobicContact CG1-CG 4.46Å; P107-Q113 PolarHBondContact O-NE2 3.11Å; N109-Q113 PolarHBondContact O-N 3.2Å; N109-Q113 VanDerWaalsContact O-N 3.14Å; K110-Q113 WeakPolarHBondContact O-CB 3.44Å; K110-Q113 PolarHBondContact O-N 2.89Å; Q113-L115 PolarHBondContact O-N 2.88Å; Q113-T116 PolarHBondContact O-N 3.22Å; Q113-H117 VanDerWaalsContact O-CB 3.29Å; Q113-H117 WeakPolarHBondContact O-CB 3.49Å; Q113-H117 PolarHBondContact O-N 2.85Å |
| 114 | D | 91 | Very high | 87.4 | Confident | 95 Ų | 95 | 72.4 Ų | 72.4 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 179.8 | -65 | -23.1 | 0 | 0 | 0 | 111.7 | K110 H117 K118 | K110-D114 PolarHBondContact O-N 2.59Å; D114-H117 PolarHBondContact O-N 2.87Å; D114-K118 WeakPolarHBondContact O-CB 3.39Å; D114-K118 PolarHBondContact O-N 3.39Å |
| 115 | L | 88 | Confident | 87 | Confident | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 176.6 | 179 | 62.9 | 0 | 0 | 0 | 111.6 | Y80 A83 Q84 E87 A111 Q113 K118 L119 | Y80-L115 HydrophobicContact CD2-CD2 3.97Å; Y80-L115 HydrophobicContact CE2-CB 4.07Å; Y80-L115 HydrophobicContact CE2-CD2 3.71Å; A83-L115 HydrophobicContact CB-CD2 3.7Å; Q84-L115 HydrophobicContact CG-CD2 3.93Å; E87-L115 VanDerWaalsContact OE2-CD1 3.29Å; E87-L115 WeakPolarHBondContact OE2-CD1 3.06Å; A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 PolarHBondContact O-N 3.22Å; Q113-L115 PolarHBondContact O-N 2.88Å; L115-K118 PolarHBondContact O-N 3.03Å; L115-L119 HydrophobicContact CD1-CD1 4.43Å; L115-L119 HydrophobicContact CG-CD1 4.21Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 2.9Å |
| 116 | T | 88.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.018 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | -179.2 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | L96 G99 R100 I103 A112 Q113 K118 L119 E120 | L96-T116 HydrophobicContact CD1-CG2 4.02Å; G99-T116 VanDerWaalsContact C-OG1 3.32Å; G99-T116 WeakPolarHBondContact CA-OG1 3.32Å; G99-T116 PolarHBondContact O-OG1 3.3Å; R100-T116 HydrophobicContact CG-CG2 4.07Å; I103-T116 HydrophobicContact CD1-CG2 3.89Å; I103-T116 WeakPolarHBondContact CD1-OG1 3.26Å; A112-T116 WeakPolarHBondContact O-CB 3.25Å; A112-T116 PolarHBondContact O-N 3.17Å; A112-T116 PolarHBondContact O-OG1 3.12Å; Q113-T116 PolarHBondContact O-N 3.22Å; T116-K118 PolarHBondContact O-N 3.49Å; T116-L119 WeakPolarHBondContact O-CB 3.42Å; T116-L119 PolarHBondContact O-N 3.5Å; T116-E120 WeakPolarHBondContact O-CG 3.21Å; T116-E120 PolarHBondContact O-N 2.73Å |
| 117 | H | 89.5 | Confident | 86 | Confident | 123 Ų | 123 | 73.5 Ų | 73.5 | 57% | 0.569 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.9 | -40.5 | 176.8 | -175.1 | 60.6 | 0 | 0 | 0 | 112.5 | Q113 D114 L119 E120 T121 | Q113-H117 VanDerWaalsContact O-CB 3.29Å; Q113-H117 WeakPolarHBondContact O-CB 3.49Å; Q113-H117 PolarHBondContact O-N 2.85Å; D114-H117 PolarHBondContact O-N 2.87Å; H117-L119 VanDerWaalsContact C-N 3.34Å; H117-L119 PolarHBondContact O-N 3.43Å; H117-E120 PolarHBondContact O-N 2.98Å; H117-T121 PolarHBondContact O-N 3.37Å; H117-T121 PolarHBondContact O-OG1 3.03Å |
| 118 | K | 88.9 | Confident | 85.6 | Confident | 114 Ų | 114 | 72.6 Ų | 72.6 | 50% | 0.496 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 173.6 | -172.9 | -170.2 | 175.7 | -153.6 | 0 | 111.8 | E87 D114 L115 T116 T121 S122 | E87-K118 WeakPolarHBondContact OE1-CE 3.39Å; E87-K118 IonicContact OE1-NZ 3.15Å; E87-K118 PolarHBondContact OE1-NZ 3.47Å; D114-K118 WeakPolarHBondContact O-CB 3.39Å; D114-K118 PolarHBondContact O-N 3.39Å; L115-K118 PolarHBondContact O-N 3.03Å; T116-K118 PolarHBondContact O-N 3.49Å; K118-T121 PolarHBondContact O-N 2.88Å; K118-S122 WeakPolarHBondContact O-CB 3.39Å; K118-S122 PolarHBondContact O-N 2.97Å; K118-S122 PolarHBondContact O-OG 3.3Å |
| 119 | L | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 176.2 | -70.3 | 168.8 | 0 | 0 | 0 | 111.6 | E87 L92 A95 L96 L115 T116 H117 T121 S122 V123 | E87-L119 HydrophobicContact CB-CD2 4.11Å; E87-L119 HydrophobicContact CG-CD2 3.9Å; L92-L119 HydrophobicContact CD2-CD2 4.14Å; A95-L119 HydrophobicContact CB-CD1 3.74Å; A95-L119 HydrophobicContact CB-CD2 3.78Å; A95-L119 HydrophobicContact CB-CG 4.41Å; L96-L119 HydrophobicContact CD1-CB 4.08Å; L115-L119 HydrophobicContact CD1-CD1 4.43Å; L115-L119 HydrophobicContact CG-CD1 4.21Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 2.9Å; T116-L119 WeakPolarHBondContact O-CB 3.42Å; T116-L119 PolarHBondContact O-N 3.5Å; H117-L119 VanDerWaalsContact C-N 3.34Å; H117-L119 PolarHBondContact O-N 3.43Å; L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.02Å; L119-S122 PolarHBondContact O-N 3.05Å; L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 2.92Å |
| 120 | E | 88.4 | Confident | 84.5 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 175.9 | -73.8 | -175.8 | 154.4 | 0 | 0 | 111.7 | L96 R100 T116 H117 S122 V123 A124 | L96-E120 HydrophobicContact CD1-CB 4.32Å; L96-E120 HydrophobicContact CD1-CG 3.25Å; L96-E120 HydrophobicContact CG-CG 4.5Å; R100-E120 IonicContact CZ-OE1 3.82Å; R100-E120 IonicContact NE-OE1 3.72Å; R100-E120 PolarHBondContact NE-OE1 3.14Å; R100-E120 IonicContact NH2-OE1 3.63Å; R100-E120 PolarHBondContact NH2-OE1 3.12Å; T116-E120 WeakPolarHBondContact O-CG 3.21Å; T116-E120 PolarHBondContact O-N 2.73Å; H117-E120 PolarHBondContact O-N 2.98Å; E120-S122 VanDerWaalsContact C-N 3.35Å; E120-S122 PolarHBondContact O-N 3.31Å; E120-V123 PolarHBondContact O-N 3.5Å; E120-A124 VanDerWaalsContact O-CB 3.25Å; E120-A124 WeakPolarHBondContact O-CB 3.49Å; E120-A124 PolarHBondContact O-N 3.05Å |
| 121 | T | 87.1 | Confident | 84 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.9 | -54 | 0 | 0 | 0 | 0 | 111.3 | H117 K118 L119 A124 S125 | H117-T121 PolarHBondContact O-N 3.37Å; H117-T121 PolarHBondContact O-OG1 3.03Å; K118-T121 PolarHBondContact O-N 2.88Å; L119-T121 VanDerWaalsContact C-N 3.33Å; L119-T121 PolarHBondContact O-N 3.02Å; T121-A124 PolarHBondContact O-N 2.76Å; T121-S125 PolarHBondContact O-N 3.1Å; T121-S125 PolarHBondContact O-OG 3.28Å |
| 122 | S | 83.3 | Confident | 83.8 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | -179.5 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | K118 L119 E120 S125 Y126 | K118-S122 WeakPolarHBondContact O-CB 3.39Å; K118-S122 PolarHBondContact O-N 2.97Å; K118-S122 PolarHBondContact O-OG 3.3Å; L119-S122 PolarHBondContact O-N 3.05Å; E120-S122 VanDerWaalsContact C-N 3.35Å; E120-S122 PolarHBondContact O-N 3.31Å; S122-S125 PolarHBondContact O-OG 2.85Å; S122-Y126 WeakPolarHBondContact O-CB 3.28Å; S122-Y126 PolarHBondContact O-N 3.03Å; S122-Y126 VanDerWaalsContact O-N 3.14Å |
| 123 | V | 85 | Confident | 83.5 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 22% | 0.218 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | L92 L119 E120 S125 Y126 V127 | L92-V123 HydrophobicContact CB-CG2 3.75Å; L92-V123 HydrophobicContact CD1-CG2 4.43Å; L119-V123 WeakPolarHBondContact O-CG2 3.33Å; L119-V123 PolarHBondContact O-N 2.92Å; E120-V123 PolarHBondContact O-N 3.5Å; V123-S125 PolarHBondContact O-N 3Å; V123-Y126 PolarHBondContact O-N 3.17Å; V123-V127 HydrophobicContact CG1-CG2 4.24Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.48Å; V123-V127 PolarHBondContact O-N 3.38Å |
| 124 | A | 82.2 | Confident | 83.3 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E120 T121 Y126 V127 A128 | E120-A124 VanDerWaalsContact O-CB 3.25Å; E120-A124 WeakPolarHBondContact O-CB 3.49Å; E120-A124 PolarHBondContact O-N 3.05Å; T121-A124 PolarHBondContact O-N 2.76Å; A124-Y126 PolarHBondContact O-N 3.23Å; A124-V127 PolarHBondContact O-N 3.35Å; A124-A128 VanDerWaalsContact O-CB 3.27Å; A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.45Å |
| 125 | S | 81.2 | Confident | 83 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 51% | 0.51 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.4 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | T121 S122 V123 E129 | T121-S125 PolarHBondContact O-N 3.1Å; T121-S125 PolarHBondContact O-OG 3.28Å; S122-S125 PolarHBondContact O-OG 2.85Å; V123-S125 PolarHBondContact O-N 3Å; S125-E129 WeakPolarHBondContact O-CB 3.23Å; S125-E129 PolarHBondContact O-N 2.89Å |
| 126 | Y | 77.4 | Confident | 82.9 | Confident | 152 Ų | 152 | 65 Ų | 65 | 60% | 0.596 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 177.4 | -177.9 | -97.1 | 0 | 0 | 0 | 111.9 | S122 V123 A124 E129 S130 | S122-Y126 WeakPolarHBondContact O-CB 3.28Å; S122-Y126 PolarHBondContact O-N 3.03Å; S122-Y126 VanDerWaalsContact O-N 3.14Å; V123-Y126 PolarHBondContact O-N 3.17Å; A124-Y126 PolarHBondContact O-N 3.23Å; Y126-E129 PolarHBondContact O-N 3.31Å; Y126-S130 WeakPolarHBondContact O-CB 3.37Å; Y126-S130 PolarHBondContact O-N 2.69Å; Y126-S130 PolarHBondContact O-OG 2.91Å |
| 127 | V | 77.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | V123 A124 E129 S130 E131 | V123-V127 HydrophobicContact CG1-CG2 4.24Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.48Å; V123-V127 PolarHBondContact O-N 3.38Å; A124-V127 PolarHBondContact O-N 3.35Å; V127-E129 PolarHBondContact O-N 3.13Å; V127-S130 CarbonylContact O-C 3.55Å; V127-S130 WeakPolarHBondContact O-CB 3.41Å; V127-S130 PolarHBondContact O-N 2.92Å; V127-S130 VanDerWaalsContact O-N 3.08Å; V127-S130 PolarHBondContact O-OG 2.8Å; V127-E131 HydrophobicContact CG1-CG 4.23Å; V127-E131 WeakPolarHBondContact O-CB 3.41Å; V127-E131 WeakPolarHBondContact O-CG 3.48Å; V127-E131 PolarHBondContact O-N 3.21Å |
| 128 | A | 77.7 | Confident | 82.6 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A124 S130 E131 S132 | A124-A128 VanDerWaalsContact O-CB 3.27Å; A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.45Å; A128-S130 VanDerWaalsContact C-N 3.31Å; A128-S130 PolarHBondContact O-N 3.17Å; A128-E131 PolarHBondContact O-N 2.95Å; A128-S132 WeakPolarHBondContact O-CB 3.48Å; A128-S132 PolarHBondContact O-N 2.92Å |
| 129 | E | 77.7 | Confident | 82.4 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.3 | -170.9 | -179.8 | -178.8 | 0 | 0 | 111 | S125 Y126 V127 E131 S132 G135 | S125-E129 WeakPolarHBondContact O-CB 3.23Å; S125-E129 PolarHBondContact O-N 2.89Å; Y126-E129 PolarHBondContact O-N 3.31Å; V127-E129 PolarHBondContact O-N 3.13Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E129-E131 PolarHBondContact O-N 2.89Å; E129-S132 WeakPolarHBondContact O-CB 3.49Å; E129-S132 PolarHBondContact O-N 3.34Å; E129-S132 PolarHBondContact O-OG 3.37Å; E129-G135 WeakPolarHBondContact O-CA 3.49Å |
| 130 | S | 73.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.8 | -27.6 | -178.7 | 89.3 | 0 | 0 | 0 | 0 | 114.1 | Y126 V127 A128 K139 | Y126-S130 WeakPolarHBondContact O-CB 3.37Å; Y126-S130 PolarHBondContact O-N 2.69Å; Y126-S130 PolarHBondContact O-OG 2.91Å; V127-S130 CarbonylContact O-C 3.55Å; V127-S130 WeakPolarHBondContact O-CB 3.41Å; V127-S130 PolarHBondContact O-N 2.92Å; V127-S130 VanDerWaalsContact O-N 3.08Å; V127-S130 PolarHBondContact O-OG 2.8Å; A128-S130 VanDerWaalsContact C-N 3.31Å; A128-S130 PolarHBondContact O-N 3.17Å; S130-K139 PolarHBondContact O-NZ 3.43Å |
| 131 | E | 77 | Confident | 82.5 | Confident | 125 Ų | 125 | 63.5 Ų | 63.5 | 58% | 0.584 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -90.9 | -18.9 | 177 | -72.3 | -177.4 | 171.4 | 0 | 0 | 112.6 | V127 A128 E129 K136 | V127-E131 HydrophobicContact CG1-CG 4.23Å; V127-E131 WeakPolarHBondContact O-CB 3.41Å; V127-E131 WeakPolarHBondContact O-CG 3.48Å; V127-E131 PolarHBondContact O-N 3.21Å; A128-E131 PolarHBondContact O-N 2.95Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E129-E131 PolarHBondContact O-N 2.89Å; E131-K136 WeakPolarHBondContact O-CE 3.26Å |
| 132 | S | 81.5 | Confident | 82.4 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -56.8 | 148 | 173.6 | 78.7 | 0 | 0 | 0 | 0 | 111.3 | A128 E129 T134 G135 K136 | A128-S132 WeakPolarHBondContact O-CB 3.48Å; A128-S132 PolarHBondContact O-N 2.92Å; E129-S132 WeakPolarHBondContact O-CB 3.49Å; E129-S132 PolarHBondContact O-N 3.34Å; E129-S132 PolarHBondContact O-OG 3.37Å; S132-T134 PolarHBondContact O-N 3.17Å; S132-G135 PolarHBondContact O-N 3.43Å; S132-G135 PolarHBondContact OG-N 3.17Å; S132-K136 PolarHBondContact O-N 3.48Å |
| 133 | L | 81.7 | Confident | 82.6 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -53.1 | -44.6 | 177.5 | -178.8 | 64.4 | 0 | 0 | 0 | 111.2 | G135 K136 L137 L164 V171 A172 M175 | L133-G135 PolarHBondContact O-N 2.96Å; L133-K136 PolarHBondContact O-N 3.19Å; L133-L137 HydrophobicContact CD1-CD1 4.44Å; L133-L137 HydrophobicContact CD1-CG 4.49Å; L133-L137 HydrophobicContact CG-CD1 4.13Å; L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 3.39Å; L133-L164 HydrophobicContact CD1-CB 4.27Å; L133-L164 HydrophobicContact CD1-CD1 4.44Å; L133-L164 HydrophobicContact CD1-CD2 4.22Å; L133-V171 HydrophobicContact CD2-CG1 3.98Å; L133-A172 HydrophobicContact CD1-CB 4.25Å; L133-A172 HydrophobicContact CD2-CB 4.35Å; L133-M175 HydrophobicContact CD2-SD 3.91Å; L133-M175 HydrophobicContact CG-SD 4.36Å |
| 134 | T | 84.2 | Confident | 82.6 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 177.2 | -46 | 0 | 0 | 0 | 0 | 112.3 | S132 L137 K138 | S132-T134 PolarHBondContact O-N 3.17Å; T134-L137 PolarHBondContact O-N 2.83Å; T134-K138 WeakPolarHBondContact O-CG 3.41Å; T134-K138 PolarHBondContact O-N 3.18Å |
| 135 | G | 83.4 | Confident | 82.8 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 9% | 0.093 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E129 S132 L133 K138 K139 | E129-G135 WeakPolarHBondContact O-CA 3.49Å; S132-G135 PolarHBondContact O-N 3.43Å; S132-G135 PolarHBondContact OG-N 3.17Å; L133-G135 PolarHBondContact O-N 2.96Å; G135-K138 PolarHBondContact O-N 3.5Å; G135-K139 WeakPolarHBondContact O-CG 3.45Å; G135-K139 PolarHBondContact O-N 3.37Å; G135-K139 VanDerWaalsContact O-N 3.16Å |
| 136 | K | 86.1 | Confident | 82.9 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 174.6 | -67.9 | -179.6 | -178.5 | 168.2 | 0 | 111.4 | E131 S132 L133 K139 M140 L164 | E131-K136 WeakPolarHBondContact O-CE 3.26Å; S132-K136 PolarHBondContact O-N 3.48Å; L133-K136 PolarHBondContact O-N 3.19Å; K136-K139 PolarHBondContact O-N 3.34Å; K136-M140 WeakPolarHBondContact O-CG 3.5Å; K136-M140 PolarHBondContact O-N 3.39Å; K136-M140 VanDerWaalsContact O-N 3.07Å; K136-L164 HydrophobicContact CB-CD1 4.08Å; K136-L164 HydrophobicContact CB-CD2 4.36Å; K136-L164 HydrophobicContact CD-CD2 3.77Å |
| 137 | L | 86.3 | Confident | 82.9 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 177.1 | -74.9 | 174 | 0 | 0 | 0 | 112.4 | L133 T134 K139 M140 F141 L161 L164 M175 I176 | L133-L137 HydrophobicContact CD1-CD1 4.44Å; L133-L137 HydrophobicContact CD1-CG 4.49Å; L133-L137 HydrophobicContact CG-CD1 4.13Å; L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.36Å; L133-L137 PolarHBondContact O-N 3.39Å; T134-L137 PolarHBondContact O-N 2.83Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 2.95Å; L137-M140 PolarHBondContact O-N 2.85Å; L137-F141 HydrophobicContact CD2-CE2 4.4Å; L137-F141 WeakPolarHBondContact O-CD2 3.42Å; L137-F141 PolarHBondContact O-N 3.31Å; L137-L161 HydrophobicContact CD2-CD2 3.55Å; L137-L164 HydrophobicContact CD2-CD1 3.97Å; L137-L164 HydrophobicContact CG-CD1 4.34Å; L137-M175 HydrophobicContact CD1-CB 3.69Å; L137-M175 HydrophobicContact CD1-SD 4.06Å; L137-I176 HydrophobicContact CD2-CD1 4.01Å; L137-I176 HydrophobicContact CD2-CG1 3.52Å |
| 138 | K | 85.6 | Confident | 83 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56.5 | -43.9 | 176.9 | -78.1 | 177.9 | -179.4 | 177.7 | 0 | 111.9 | T134 G135 A142 | T134-K138 WeakPolarHBondContact O-CG 3.41Å; T134-K138 PolarHBondContact O-N 3.18Å; G135-K138 PolarHBondContact O-N 3.5Å; K138-A142 WeakPolarHBondContact O-CB 3.46Å; K138-A142 PolarHBondContact O-N 2.96Å |
| 139 | K | 85.8 | Confident | 83.1 | Confident | 101 Ų | 101 | 62 Ų | 62 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 176.8 | -70.8 | 172.9 | -179.2 | 173.4 | 0 | 112.1 | S130 G135 K136 L137 A142 I143 | S130-K139 PolarHBondContact O-NZ 3.43Å; G135-K139 WeakPolarHBondContact O-CG 3.45Å; G135-K139 PolarHBondContact O-N 3.37Å; G135-K139 VanDerWaalsContact O-N 3.16Å; K136-K139 PolarHBondContact O-N 3.34Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 2.95Å; K139-A142 PolarHBondContact O-N 3.38Å; K139-I143 PolarHBondContact O-N 3.42Å |
| 140 | M | 89.6 | Confident | 83.5 | Confident | 30 Ų | 30 | 59 Ų | 59 | 15% | 0.148 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | -179.2 | -63.8 | -54.5 | 113.7 | 0 | 0 | 111.9 | K136 L137 A142 I143 V144 A157 N160 L161 | K136-M140 WeakPolarHBondContact O-CG 3.5Å; K136-M140 PolarHBondContact O-N 3.39Å; K136-M140 VanDerWaalsContact O-N 3.07Å; L137-M140 PolarHBondContact O-N 2.85Å; M140-A142 VanDerWaalsContact C-N 3.34Å; M140-A142 PolarHBondContact O-N 3.17Å; M140-I143 WeakPolarHBondContact O-CB 3.44Å; M140-I143 PolarHBondContact O-N 3.25Å; M140-V144 WeakPolarHBondContact O-CG2 3.28Å; M140-V144 PolarHBondContact O-N 3.21Å; M140-V144 VanDerWaalsContact O-N 3.08Å; M140-A157 HydrophobicContact SD-CB 4.26Å; M140-N160 HydrophobicContact CG-CB 4.32Å; M140-N160 HydrophobicContact SD-CB 3.67Å; M140-L161 HydrophobicContact CB-CD2 3.74Å; M140-L161 HydrophobicContact CB-CG 4.04Å; M140-L161 HydrophobicContact CG-CD2 4.2Å; M140-L161 HydrophobicContact CG-CG 4.46Å |
| 141 | F | 88.4 | Confident | 83.9 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.1 | -28 | 177 | -84.6 | -73.4 | 0 | 0 | 0 | 113.4 | L137 I143 V144 N145 L161 I176 N179 I185 | L137-F141 HydrophobicContact CD2-CE2 4.4Å; L137-F141 WeakPolarHBondContact O-CD2 3.42Å; L137-F141 PolarHBondContact O-N 3.31Å; F141-I143 VanDerWaalsContact C-N 3.28Å; F141-I143 PolarHBondContact O-N 3.04Å; F141-V144 PolarHBondContact O-N 3.5Å; F141-N145 WeakPolarHBondContact O-CB 3.47Å; F141-N145 PolarHBondContact O-N 3.42Å; F141-L161 HydrophobicContact CE2-CD2 4.34Å; F141-I176 HydrophobicContact CE2-CG1 4.43Å; F141-I176 HydrophobicContact CZ-CG2 4.08Å; F141-N179 VanDerWaalsContact CD2-ND2 3.29Å; F141-N179 WeakPolarHBondContact CD2-ND2 3.45Å; F141-N179 HydrophobicContact CE1-CB 4.19Å; F141-N179 HydrophobicContact CE2-CB 3.91Å; F141-N179 WeakPolarHBondContact CE2-ND2 3.38Å; F141-N179 HydrophobicContact CZ-CB 3.71Å; F141-I185 HydrophobicContact CE1-CD1 4.44Å |
| 142 | A | 86.2 | Confident | 84.2 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K138 K139 M140 D146 | K138-A142 WeakPolarHBondContact O-CB 3.46Å; K138-A142 PolarHBondContact O-N 2.96Å; K139-A142 PolarHBondContact O-N 3.38Å; M140-A142 VanDerWaalsContact C-N 3.34Å; M140-A142 PolarHBondContact O-N 3.17Å; A142-D146 WeakPolarHBondContact O-CB 3.47Å; A142-D146 PolarHBondContact O-N 3.39Å; A142-D146 VanDerWaalsContact O-N 3.12Å |
| 143 | I | 86.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.2 | -43.9 | 174.8 | -59.3 | 166.6 | 0 | 0 | 0 | 110.6 | K139 M140 F141 N145 D146 S149 E153 A157 | K139-I143 PolarHBondContact O-N 3.42Å; M140-I143 WeakPolarHBondContact O-CB 3.44Å; M140-I143 PolarHBondContact O-N 3.25Å; F141-I143 VanDerWaalsContact C-N 3.28Å; F141-I143 PolarHBondContact O-N 3.04Å; I143-N145 VanDerWaalsContact C-N 3.27Å; I143-N145 PolarHBondContact O-N 2.99Å; I143-D146 PolarHBondContact O-N 3.32Å; I143-S149 PolarHBondContact O-OG 3.02Å; I143-S149 VanDerWaalsContact O-OG 3.12Å; I143-E153 HydrophobicContact CG2-CB 4.26Å; I143-A157 HydrophobicContact CB-CB 4.15Å; I143-A157 HydrophobicContact CD1-CB 4.4Å; I143-A157 HydrophobicContact CG2-CB 3.97Å |
| 144 | V | 85.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.6 | -32.9 | 179.5 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | M140 F141 A157 K184 | M140-V144 WeakPolarHBondContact O-CG2 3.28Å; M140-V144 PolarHBondContact O-N 3.21Å; M140-V144 VanDerWaalsContact O-N 3.08Å; F141-V144 PolarHBondContact O-N 3.5Å; V144-A157 HydrophobicContact CG2-CB 4.25Å; V144-K184 HydrophobicContact CG1-CB 4.39Å; V144-K184 HydrophobicContact CG1-CG 4.27Å |
| 145 | N | 85.4 | Confident | 84.9 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -83.7 | -20.1 | 178.9 | -78 | -18.7 | 0 | 0 | 0 | 114.1 | F141 I143 N147 S181 | F141-N145 WeakPolarHBondContact O-CB 3.47Å; F141-N145 PolarHBondContact O-N 3.42Å; I143-N145 VanDerWaalsContact C-N 3.27Å; I143-N145 PolarHBondContact O-N 2.99Å; N145-N147 PolarHBondContact O-N 2.98Å; N145-S181 WeakPolarHBondContact ND2-CB 3.43Å; N145-S181 PolarHBondContact ND2-OG 2.75Å; N145-S181 VanDerWaalsContact OD1-CB 3.32Å; N145-S181 WeakPolarHBondContact OD1-CB 3.13Å |
| 146 | D | 83.6 | Confident | 85.1 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | trans | -75.4 | 110.7 | -179.9 | -179.7 | 10 | 0 | 0 | 0 | 110.4 | A142 I143 S148 S149 | A142-D146 WeakPolarHBondContact O-CB 3.47Å; A142-D146 PolarHBondContact O-N 3.39Å; A142-D146 VanDerWaalsContact O-N 3.12Å; I143-D146 PolarHBondContact O-N 3.32Å; D146-S148 PolarHBondContact O-N 3.47Å; D146-S148 VanDerWaalsContact O-N 3.11Å; D146-S148 WeakPolarHBondContact OD1-CB 2.92Å; D146-S148 PolarHBondContact OD1-N 3.07Å; D146-S148 PolarHBondContact OD1-OG 2.93Å; D146-S148 PolarHBondContact OD2-OG 3.43Å; D146-S149 WeakPolarHBondContact O-CB 3.47Å; D146-S149 PolarHBondContact O-N 3.15Å; D146-S149 VanDerWaalsContact O-N 3.12Å | ||
| 147 | N | 77.1 | Confident | 85.2 | Confident | 142 Ų | 142 | 63.7 Ų | 63.7 | 76% | 0.759 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.5 | 178.3 | -65.9 | -44.4 | 0 | 0 | 0 | 113.1 | N145 | N145-N147 PolarHBondContact O-N 2.98Š|
| 148 | S | 81.1 | Confident | 85.5 | Confident | 97 Ų | 97 | 63.2 Ų | 63.2 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6 | 176.3 | 73.9 | 0 | 0 | 0 | 0 | 114.2 | D146 | D146-S148 PolarHBondContact O-N 3.47Å; D146-S148 VanDerWaalsContact O-N 3.11Å; D146-S148 WeakPolarHBondContact OD1-CB 2.92Å; D146-S148 PolarHBondContact OD1-N 3.07Å; D146-S148 PolarHBondContact OD1-OG 2.93Å; D146-S148 PolarHBondContact OD2-OG 3.43Å |
| 149 | S | 79.8 | Confident | 85.7 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | trans | -66.2 | 134.3 | -179.8 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | I143 D146 | I143-S149 PolarHBondContact O-OG 3.02Å; I143-S149 VanDerWaalsContact O-OG 3.12Å; D146-S149 WeakPolarHBondContact O-CB 3.47Å; D146-S149 PolarHBondContact O-N 3.15Å; D146-S149 VanDerWaalsContact O-N 3.12Å | ||
| 150 | S | 84.3 | Confident | 85.8 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | trans | -68.5 | 157.6 | 175.6 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | E152 E153 L154 | S150-E152 PolarHBondContact O-N 3.43Å; S150-E153 WeakPolarHBondContact CB-OE2 3.39Å; S150-E153 PolarHBondContact N-OE2 3.36Å; S150-E153 PolarHBondContact O-N 2.9Å; S150-E153 VanDerWaalsContact O-N 3.12Å; S150-E153 WeakPolarHBondContact OG-CB 3.29Å; S150-E153 VanDerWaalsContact OG-CG 3.22Å; S150-E153 WeakPolarHBondContact OG-CG 3.29Å; S150-E153 PolarHBondContact OG-N 3.38Å; S150-E153 PolarHBondContact OG-OE2 3.22Å; S150-L154 PolarHBondContact O-N 2.97Å | ||
| 151 | A | 82.8 | Confident | 85.9 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -31.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E155 | A151-E155 WeakPolarHBondContact O-CB 3.16Å; A151-E155 PolarHBondContact O-N 2.92Å |
| 152 | E | 83.7 | Confident | 85.9 | Confident | 133 Ų | 133 | 57.1 Ų | 57.1 | 62% | 0.621 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -73.1 | -36.8 | 176.3 | -66.2 | -173.3 | -178.7 | 0 | 0 | 112.5 | S150 E155 K156 | S150-E152 PolarHBondContact O-N 3.43Å; E152-E155 PolarHBondContact O-N 3.05Å; E152-K156 WeakPolarHBondContact O-CB 3.42Å; E152-K156 VanDerWaalsContact O-CG 3.28Å; E152-K156 WeakPolarHBondContact O-CG 3.34Å; E152-K156 PolarHBondContact O-N 2.8Å |
| 153 | E | 85.8 | Confident | 86 | Confident | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 175.2 | -73.7 | 162.2 | 154.2 | 0 | 0 | 111 | I143 S150 K156 A157 | I143-E153 HydrophobicContact CG2-CB 4.26Å; S150-E153 WeakPolarHBondContact CB-OE2 3.39Å; S150-E153 PolarHBondContact N-OE2 3.36Å; S150-E153 PolarHBondContact O-N 2.9Å; S150-E153 VanDerWaalsContact O-N 3.12Å; S150-E153 WeakPolarHBondContact OG-CB 3.29Å; S150-E153 VanDerWaalsContact OG-CG 3.22Å; S150-E153 WeakPolarHBondContact OG-CG 3.29Å; S150-E153 PolarHBondContact OG-N 3.38Å; S150-E153 PolarHBondContact OG-OE2 3.22Å; E153-K156 PolarHBondContact O-N 3.45Å; E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.06Å |
| 154 | L | 87.3 | Confident | 86 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 173.1 | -71.1 | 172.9 | 0 | 0 | 0 | 111.7 | S150 K156 A157 I158 L196 | S150-L154 PolarHBondContact O-N 2.97Å; L154-K156 PolarHBondContact O-N 3.04Å; L154-A157 PolarHBondContact O-N 3.25Å; L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 3.14Å; L154-L196 HydrophobicContact CB-CD1 3.93Å |
| 155 | E | 87.7 | Confident | 86.1 | Confident | 56 Ų | 56 | 56 Ų | 56 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 176.5 | -175.3 | -178.5 | 166.7 | 0 | 0 | 111.1 | A151 E152 A157 I158 V159 L196 A199 | A151-E155 WeakPolarHBondContact O-CB 3.16Å; A151-E155 PolarHBondContact O-N 2.92Å; E152-E155 PolarHBondContact O-N 3.05Å; E155-A157 VanDerWaalsContact C-N 3.34Å; E155-A157 PolarHBondContact O-N 3.05Å; E155-I158 PolarHBondContact O-N 3.31Å; E155-V159 HydrophobicContact CG-CG2 4.46Å; E155-V159 WeakPolarHBondContact O-CB 3.38Å; E155-V159 VanDerWaalsContact O-CG2 3.3Å; E155-V159 WeakPolarHBondContact O-CG2 3.36Å; E155-V159 PolarHBondContact O-N 3.03Å; E155-L196 HydrophobicContact CB-CD1 4.07Å; E155-A199 HydrophobicContact CG-CB 4.28Å |
| 156 | K | 88 | Confident | 85.9 | Confident | 128 Ų | 128 | 60 Ų | 60 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 177.3 | -73.5 | 168.7 | -173.6 | 165.4 | 0 | 112 | E152 E153 L154 V159 N160 | E152-K156 WeakPolarHBondContact O-CB 3.42Å; E152-K156 VanDerWaalsContact O-CG 3.28Å; E152-K156 WeakPolarHBondContact O-CG 3.34Å; E152-K156 PolarHBondContact O-N 2.8Å; E153-K156 PolarHBondContact O-N 3.45Å; L154-K156 PolarHBondContact O-N 3.04Å; K156-V159 PolarHBondContact O-N 3.2Å; K156-N160 WeakPolarHBondContact O-CB 3.42Å; K156-N160 PolarHBondContact O-N 3.33Å; K156-N160 PolarHBondContact O-ND2 3.16Å |
| 157 | A | 89.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M140 I143 V144 E153 L154 E155 N160 L161 | M140-A157 HydrophobicContact SD-CB 4.26Å; I143-A157 HydrophobicContact CB-CB 4.15Å; I143-A157 HydrophobicContact CD1-CB 4.4Å; I143-A157 HydrophobicContact CG2-CB 3.97Å; V144-A157 HydrophobicContact CG2-CB 4.25Å; E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.06Å; L154-A157 PolarHBondContact O-N 3.25Å; E155-A157 VanDerWaalsContact C-N 3.34Å; E155-A157 PolarHBondContact O-N 3.05Å; A157-N160 PolarHBondContact O-N 3.18Å; A157-L161 WeakPolarHBondContact O-CG 3.46Å; A157-L161 PolarHBondContact O-N 2.88Å |
| 158 | I | 91.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 179.4 | -67.9 | 172.1 | 0 | 0 | 0 | 111.5 | L154 E155 N160 L161 S162 V188 L196 A199 C200 L203 | L154-I158 VanDerWaalsContact O-CG1 3.27Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 3.14Å; E155-I158 PolarHBondContact O-N 3.31Å; I158-N160 VanDerWaalsContact C-N 3.31Å; I158-N160 PolarHBondContact O-N 3.49Å; I158-L161 WeakPolarHBondContact O-CB 3.38Å; I158-L161 PolarHBondContact O-N 3.1Å; I158-S162 PolarHBondContact O-N 2.94Å; I158-S162 VanDerWaalsContact O-N 3.08Å; I158-S162 PolarHBondContact O-OG 2.78Å; I158-V188 HydrophobicContact CD1-CG1 4.15Å; I158-L196 HydrophobicContact CD1-CD1 3.83Å; I158-A199 HydrophobicContact CB-CB 4.49Å; I158-A199 HydrophobicContact CG2-CB 3.9Å; I158-A199 WeakPolarHBondContact CG2-O 3.25Å; I158-C200 VanDerWaalsContact CD1-SG 3.53Å; I158-L203 HydrophobicContact CG2-CB 4.09Å; I158-L203 HydrophobicContact CG2-CD2 3.95Å |
| 159 | V | 89.6 | Confident | 86.1 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | E155 K156 L161 S162 I163 A199 | E155-V159 HydrophobicContact CG-CG2 4.46Å; E155-V159 WeakPolarHBondContact O-CB 3.38Å; E155-V159 VanDerWaalsContact O-CG2 3.3Å; E155-V159 WeakPolarHBondContact O-CG2 3.36Å; E155-V159 PolarHBondContact O-N 3.03Å; K156-V159 PolarHBondContact O-N 3.2Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 3.18Å; V159-S162 WeakPolarHBondContact O-CB 3.31Å; V159-S162 PolarHBondContact O-N 2.95Å; V159-I163 HydrophobicContact CG1-CD1 4.19Å; V159-I163 WeakPolarHBondContact O-CG1 3.33Å; V159-I163 PolarHBondContact O-N 3.04Å; V159-A199 HydrophobicContact CG2-CB 4.2Å |
| 160 | N | 89.9 | Confident | 86.2 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.6 | -72.8 | -18.3 | 0 | 0 | 0 | 112.1 | M140 K156 A157 I158 S162 I163 L164 | M140-N160 HydrophobicContact CG-CB 4.32Å; M140-N160 HydrophobicContact SD-CB 3.67Å; K156-N160 WeakPolarHBondContact O-CB 3.42Å; K156-N160 PolarHBondContact O-N 3.33Å; K156-N160 PolarHBondContact O-ND2 3.16Å; A157-N160 PolarHBondContact O-N 3.18Å; I158-N160 VanDerWaalsContact C-N 3.31Å; I158-N160 PolarHBondContact O-N 3.49Å; N160-S162 VanDerWaalsContact C-N 3.31Å; N160-S162 PolarHBondContact O-N 3.05Å; N160-I163 PolarHBondContact O-N 3.5Å; N160-I163 VanDerWaalsContact O-N 3.16Å; N160-L164 WeakPolarHBondContact O-CG 3.5Å; N160-L164 PolarHBondContact O-N 3.4Å |
| 161 | L | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 172.2 | -68.6 | 173.1 | 0 | 0 | 0 | 111.3 | L137 M140 F141 A157 I158 V159 I163 L164 I165 I176 L203 | L137-L161 HydrophobicContact CD2-CD2 3.55Å; M140-L161 HydrophobicContact CB-CD2 3.74Å; M140-L161 HydrophobicContact CB-CG 4.04Å; M140-L161 HydrophobicContact CG-CD2 4.2Å; M140-L161 HydrophobicContact CG-CG 4.46Å; F141-L161 HydrophobicContact CE2-CD2 4.34Å; A157-L161 WeakPolarHBondContact O-CG 3.46Å; A157-L161 PolarHBondContact O-N 2.88Å; I158-L161 WeakPolarHBondContact O-CB 3.38Å; I158-L161 PolarHBondContact O-N 3.1Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 3.18Å; L161-I163 VanDerWaalsContact C-N 3.29Å; L161-I163 PolarHBondContact O-N 3.25Å; L161-L164 HydrophobicContact CD2-CD1 4.48Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.23Å; L161-I165 PolarHBondContact O-N 2.94Å; L161-I165 VanDerWaalsContact O-N 3.14Å; L161-I176 HydrophobicContact CB-CD1 4.41Å; L161-I176 HydrophobicContact CD2-CD1 4.28Å; L161-I176 HydrophobicContact CD2-CG1 4.41Å; L161-L203 HydrophobicContact CB-CD1 3.93Å; L161-L203 HydrophobicContact CB-CD2 4.21Å; L161-L203 HydrophobicContact CD1-CD2 4.11Å |
| 162 | S | 89.1 | Confident | 86.3 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -33.5 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 113 | I158 V159 N160 K166 Q206 | I158-S162 PolarHBondContact O-N 2.94Å; I158-S162 VanDerWaalsContact O-N 3.08Å; I158-S162 PolarHBondContact O-OG 2.78Å; V159-S162 WeakPolarHBondContact O-CB 3.31Å; V159-S162 PolarHBondContact O-N 2.95Å; N160-S162 VanDerWaalsContact C-N 3.31Å; N160-S162 PolarHBondContact O-N 3.05Å; S162-K166 PolarHBondContact O-N 3.42Å; S162-Q206 VanDerWaalsContact CB-OE1 3.28Å; S162-Q206 PolarHBondContact O-OE1 3.03Å |
| 163 | I | 88.1 | Confident | 86.4 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 174.3 | -65.7 | 165.9 | 0 | 0 | 0 | 110.5 | V159 N160 L161 I165 K166 E167 | V159-I163 HydrophobicContact CG1-CD1 4.19Å; V159-I163 WeakPolarHBondContact O-CG1 3.33Å; V159-I163 PolarHBondContact O-N 3.04Å; N160-I163 PolarHBondContact O-N 3.5Å; N160-I163 VanDerWaalsContact O-N 3.16Å; L161-I163 VanDerWaalsContact C-N 3.29Å; L161-I163 PolarHBondContact O-N 3.25Å; I163-I165 VanDerWaalsContact C-N 3.28Å; I163-I165 PolarHBondContact O-N 2.93Å; I163-K166 WeakPolarHBondContact O-CB 3.48Å; I163-K166 PolarHBondContact O-N 3.47Å; I163-K166 VanDerWaalsContact O-N 3.08Å; I163-E167 PolarHBondContact O-N 2.97Å; I163-E167 VanDerWaalsContact O-N 3.12Å |
| 164 | L | 86.5 | Confident | 86.5 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -36 | 177.5 | -66.2 | 175 | 0 | 0 | 0 | 112.6 | L133 K136 L137 N160 L161 E167 N168 | L133-L164 HydrophobicContact CD1-CB 4.27Å; L133-L164 HydrophobicContact CD1-CD1 4.44Å; L133-L164 HydrophobicContact CD1-CD2 4.22Å; K136-L164 HydrophobicContact CB-CD1 4.08Å; K136-L164 HydrophobicContact CB-CD2 4.36Å; K136-L164 HydrophobicContact CD-CD2 3.77Å; L137-L164 HydrophobicContact CD2-CD1 3.97Å; L137-L164 HydrophobicContact CG-CD1 4.34Å; N160-L164 WeakPolarHBondContact O-CG 3.5Å; N160-L164 PolarHBondContact O-N 3.4Å; L161-L164 HydrophobicContact CD2-CD1 4.48Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.23Å; L164-E167 PolarHBondContact O-N 3.39Å; L164-N168 PolarHBondContact O-N 2.97Å |
| 165 | I | 86.5 | Confident | 86.4 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 173.6 | -64.5 | 173 | 0 | 0 | 0 | 110.8 | L161 I163 E167 N168 P169 A172 S173 I176 L203 Q206 I207 | L161-I165 PolarHBondContact O-N 2.94Å; L161-I165 VanDerWaalsContact O-N 3.14Å; I163-I165 VanDerWaalsContact C-N 3.28Å; I163-I165 PolarHBondContact O-N 2.93Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.98Å; I165-N168 CarbonylContact O-C 3.57Å; I165-N168 VanDerWaalsContact O-C 3.32Å; I165-N168 PolarHBondContact O-N 3.05Å; I165-P169 WeakPolarHBondContact O-CA 3.49Å; I165-P169 WeakPolarHBondContact O-CD 3.31Å; I165-P169 WeakPolarHBondContact O-CG 3.3Å; I165-A172 HydrophobicContact CG1-CB 4.27Å; I165-S173 WeakPolarHBondContact CG2-OG 3.48Å; I165-I176 HydrophobicContact CD1-CD1 3.81Å; I165-I176 HydrophobicContact CG1-CD1 3.64Å; I165-L203 HydrophobicContact CD1-CD1 3.56Å; I165-Q206 HydrophobicContact CD1-CB 4.36Å; I165-Q206 HydrophobicContact CG2-CB 4.18Å; I165-I207 HydrophobicContact CD1-CD1 4.2Å; I165-I207 HydrophobicContact CD1-CG1 3.55Å |
| 166 | K | 82.7 | Confident | 86.4 | Confident | 153 Ų | 153 | 56.6 Ų | 56.6 | 67% | 0.665 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.6 | -35.1 | 177.3 | -71 | -179.3 | 177.5 | -175.7 | 0 | 113.1 | S162 I163 | S162-K166 PolarHBondContact O-N 3.42Å; I163-K166 WeakPolarHBondContact O-CB 3.48Å; I163-K166 PolarHBondContact O-N 3.47Å; I163-K166 VanDerWaalsContact O-N 3.08Å |
| 167 | E | 82.7 | Confident | 86.5 | Confident | 110 Ų | 110 | 52.9 Ų | 52.9 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.8 | -41.9 | 176.8 | -68 | 179.7 | 173.1 | 0 | 0 | 112.2 | I163 L164 I165 | I163-E167 PolarHBondContact O-N 2.97Å; I163-E167 VanDerWaalsContact O-N 3.12Å; L164-E167 PolarHBondContact O-N 3.39Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 2.98Å |
| 168 | N | 81.5 | Confident | 86.4 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -138.4 | 77.2 | -175.7 | -68.6 | -79.7 | 0 | 0 | 0 | 112 | L164 I165 K170 A172 | L164-N168 PolarHBondContact O-N 2.97Å; I165-N168 CarbonylContact O-C 3.57Å; I165-N168 VanDerWaalsContact O-C 3.32Å; I165-N168 PolarHBondContact O-N 3.05Å; N168-K170 PolarHBondContact O-N 3.44Å; N168-A172 HydrophobicContact CB-CB 4.39Å; N168-A172 WeakPolarHBondContact O-CB 3.41Å; N168-A172 PolarHBondContact O-N 3.28Å |
| 169 | P | 81.4 | Confident | 86.2 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 47% | 0.468 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58 | -51 | -164.3 | -25.9 | 32.9 | 0 | 0 | 0 | 114.8 | I165 S173 | I165-P169 WeakPolarHBondContact O-CA 3.49Å; I165-P169 WeakPolarHBondContact O-CD 3.31Å; I165-P169 WeakPolarHBondContact O-CG 3.3Å; P169-S173 VanDerWaalsContact O-CB 3.25Å; P169-S173 WeakPolarHBondContact O-CB 3.3Å; P169-S173 PolarHBondContact O-N 3.42Å; P169-S173 PolarHBondContact O-OG 3.32Å |
| 170 | K | 81.2 | Confident | 85.9 | Confident | 188 Ų | 188 | 62.1 Ų | 62.1 | 82% | 0.817 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.3 | -47.8 | -174.4 | -66.4 | -172.8 | 177.2 | -175.1 | 0 | 112.4 | N168 S174 | N168-K170 PolarHBondContact O-N 3.44Å; K170-S174 WeakPolarHBondContact O-CB 2.98Å; K170-S174 PolarHBondContact O-N 3.23Å |
| 171 | V | 84 | Confident | 85.7 | Confident | 80 Ų | 80 | 60 Ų | 60 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.3 | -44.4 | -174.2 | -176.1 | 0 | 0 | 0 | 0 | 111 | L133 S174 M175 | L133-V171 HydrophobicContact CD2-CG1 3.98Å; V171-S174 PolarHBondContact O-N 2.83Å; V171-M175 HydrophobicContact CG1-CE 3.95Å; V171-M175 HydrophobicContact CG1-SD 4.2Å; V171-M175 WeakPolarHBondContact O-CG 3.35Å; V171-M175 PolarHBondContact O-N 3.26Å |
| 172 | A | 85.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L133 I165 N168 S174 M175 I176 | L133-A172 HydrophobicContact CD1-CB 4.25Å; L133-A172 HydrophobicContact CD2-CB 4.35Å; I165-A172 HydrophobicContact CG1-CB 4.27Å; N168-A172 HydrophobicContact CB-CB 4.39Å; N168-A172 WeakPolarHBondContact O-CB 3.41Å; N168-A172 PolarHBondContact O-N 3.28Å; A172-S174 PolarHBondContact O-N 2.95Å; A172-M175 PolarHBondContact O-N 3.48Å; A172-I176 WeakPolarHBondContact O-CB 3.31Å; A172-I176 WeakPolarHBondContact O-CD1 3.44Å; A172-I176 WeakPolarHBondContact O-CG1 3.24Å; A172-I176 PolarHBondContact O-N 3.35Å |
| 173 | S | 86.7 | Confident | 85.4 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 178.1 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | I165 P169 I176 W177 | I165-S173 WeakPolarHBondContact CG2-OG 3.48Å; P169-S173 VanDerWaalsContact O-CB 3.25Å; P169-S173 WeakPolarHBondContact O-CB 3.3Å; P169-S173 PolarHBondContact O-N 3.42Å; P169-S173 PolarHBondContact O-OG 3.32Å; S173-I176 PolarHBondContact O-N 3.14Å; S173-W177 VanDerWaalsContact O-CB 3.3Å; S173-W177 WeakPolarHBondContact O-CB 3.27Å; S173-W177 PolarHBondContact O-N 3.24Å |
| 174 | S | 87 | Confident | 85.2 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | K170 V171 A172 W177 T178 | K170-S174 WeakPolarHBondContact O-CB 2.98Å; K170-S174 PolarHBondContact O-N 3.23Å; V171-S174 PolarHBondContact O-N 2.83Å; A172-S174 PolarHBondContact O-N 2.95Å; S174-W177 PolarHBondContact O-N 3.31Å; S174-T178 WeakPolarHBondContact O-CB 3.48Å; S174-T178 WeakPolarHBondContact O-CG2 3.32Å; S174-T178 PolarHBondContact O-N 3.26Å; S174-T178 PolarHBondContact O-OG1 2.9Å |
| 175 | M | 85.6 | Confident | 85.4 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 177.8 | -73.5 | -173.4 | 172.2 | 0 | 0 | 113.2 | L133 L137 V171 A172 T178 N179 | L133-M175 HydrophobicContact CD2-SD 3.91Å; L133-M175 HydrophobicContact CG-SD 4.36Å; L137-M175 HydrophobicContact CD1-CB 3.69Å; L137-M175 HydrophobicContact CD1-SD 4.06Å; V171-M175 HydrophobicContact CG1-CE 3.95Å; V171-M175 HydrophobicContact CG1-SD 4.2Å; V171-M175 WeakPolarHBondContact O-CG 3.35Å; V171-M175 PolarHBondContact O-N 3.26Å; A172-M175 PolarHBondContact O-N 3.48Å; M175-T178 PolarHBondContact O-OG1 2.65Å; M175-N179 PolarHBondContact O-N 3.08Å |
| 176 | I | 88.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70 | -44.4 | 176.9 | -70 | 165.8 | 0 | 0 | 0 | 110.1 | L137 F141 L161 I165 A172 S173 N179 F182 I207 | L137-I176 HydrophobicContact CD2-CD1 4.01Å; L137-I176 HydrophobicContact CD2-CG1 3.52Å; F141-I176 HydrophobicContact CE2-CG1 4.43Å; F141-I176 HydrophobicContact CZ-CG2 4.08Å; L161-I176 HydrophobicContact CB-CD1 4.41Å; L161-I176 HydrophobicContact CD2-CD1 4.28Å; L161-I176 HydrophobicContact CD2-CG1 4.41Å; I165-I176 HydrophobicContact CD1-CD1 3.81Å; I165-I176 HydrophobicContact CG1-CD1 3.64Å; A172-I176 WeakPolarHBondContact O-CB 3.31Å; A172-I176 WeakPolarHBondContact O-CD1 3.44Å; A172-I176 WeakPolarHBondContact O-CG1 3.24Å; A172-I176 PolarHBondContact O-N 3.35Å; S173-I176 PolarHBondContact O-N 3.14Å; I176-N179 VanDerWaalsContact O-CB 3.27Å; I176-N179 WeakPolarHBondContact O-CB 3.44Å; I176-N179 PolarHBondContact O-N 3.39Å; I176-F182 HydrophobicContact CG2-CD2 3.99Å; I176-F182 HydrophobicContact CG2-CE2 4.06Å; I176-F182 WeakPolarHBondContact O-CD2 3.13Å; I176-I207 HydrophobicContact CG2-CD1 3.72Å |
| 177 | W | 88.5 | Confident | 85.6 | Confident | 49 Ų | 49 | 59 Ų | 59 | 19% | 0.186 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | -179.8 | -175.5 | -94.9 | 0 | 0 | 0 | 112.8 | S173 S174 N179 F182 I207 W214 T217 V218 | S173-W177 VanDerWaalsContact O-CB 3.3Å; S173-W177 WeakPolarHBondContact O-CB 3.27Å; S173-W177 PolarHBondContact O-N 3.24Å; S174-W177 PolarHBondContact O-N 3.31Å; W177-N179 PolarHBondContact O-N 3.24Å; W177-F182 HydrophobicContact CD2-CE1 4.42Å; W177-F182 HydrophobicContact CE3-CD1 4.37Å; W177-F182 AromaticContact CE3-CE1 3.59Å; W177-F182 HydrophobicContact CE3-CE1 3.59Å; W177-F182 HydrophobicContact CE3-CE2 4.27Å; W177-F182 AromaticContact CE3-CZ 3.55Å; W177-F182 HydrophobicContact CE3-CZ 3.55Å; W177-F182 HydrophobicContact CH2-CE1 4.32Å; W177-F182 AromaticContact CZ3-CE1 3.55Å; W177-F182 HydrophobicContact CZ3-CE1 3.55Å; W177-F182 AromaticContact CZ3-CZ 3.67Å; W177-F182 HydrophobicContact CZ3-CZ 3.67Å; W177-I207 HydrophobicContact CE3-CG2 3.68Å; W177-I207 HydrophobicContact CZ3-CG2 4.24Å; W177-W214 HydrophobicContact CB-CE3 4.46Å; W177-W214 HydrophobicContact CB-CH2 3.99Å; W177-W214 HydrophobicContact CB-CZ2 4.06Å; W177-W214 HydrophobicContact CB-CZ3 4.19Å; W177-W214 AromaticContact CD1-CE2 3.56Å; W177-W214 AromaticContact CD1-CZ2 3.81Å; W177-W214 AromaticContact CD1-NE1 3.6Å; W177-W214 HydrophobicContact CD2-CB 4.41Å; W177-W214 AromaticContact CD2-CD2 3.64Å; W177-W214 HydrophobicContact CD2-CD2 3.64Å; W177-W214 AromaticContact CD2-CE2 3.89Å; W177-W214 HydrophobicContact CD2-CE3 4.08Å; W177-W214 AromaticContact CD2-CG 3.8Å; W177-W214 HydrophobicContact CD2-CG 3.8Å; W177-W214 AromaticContact CE2-CD1 3.39Å; W177-W214 AromaticContact CE2-CD2 3.82Å; W177-W214 AromaticContact CE2-CE2 3.92Å; W177-W214 AromaticContact CE2-CG 3.52Å; W177-W214 AromaticContact CE2-NE1 3.65Å; W177-W214 HydrophobicContact CE3-CB 4.26Å; W177-W214 HydrophobicContact CE3-CD2 4.03Å; W177-W214 HydrophobicContact CE3-CE3 4.14Å; W177-W214 HydrophobicContact CE3-CG 4.1Å; W177-W214 AromaticContact CG-CD2 3.88Å; W177-W214 HydrophobicContact CG-CD2 3.88Å; W177-W214 AromaticContact CG-CE2 3.67Å; W177-W214 HydrophobicContact CG-CE3 4.23Å; W177-W214 HydrophobicContact CG-CG 4.43Å; W177-W214 HydrophobicContact CG-CH2 4.22Å; W177-W214 AromaticContact CG-CZ2 3.85Å; W177-W214 HydrophobicContact CG-CZ2 3.85Å; W177-W214 HydrophobicContact CG-CZ3 4.39Å; W177-W214 HydrophobicContact CH2-CB 3.55Å; W177-W214 AromaticContact CH2-CG 3.88Å; W177-W214 HydrophobicContact CH2-CG 3.88Å; W177-W214 HydrophobicContact CZ2-CB 3.74Å; W177-W214 AromaticContact CZ2-CD1 3.53Å; W177-W214 HydrophobicContact CZ2-CD2 4.33Å; W177-W214 AromaticContact CZ2-CG 3.58Å; W177-W214 HydrophobicContact CZ2-CG 3.58Å; W177-W214 HydrophobicContact CZ3-CB 3.83Å; W177-W214 HydrophobicContact CZ3-CD2 4.49Å; W177-W214 HydrophobicContact CZ3-CG 4.12Å; W177-W214 AromaticContact NE1-CD1 3.5Å; W177-W214 AromaticContact NE1-CE2 3.71Å; W177-W214 AromaticContact NE1-NE1 3.3Å; W177-T217 HydrophobicContact CH2-CG2 4.37Å; W177-T217 HydrophobicContact CZ2-CG2 4.31Å; W177-V218 HydrophobicContact CH2-CG2 3.96Å; W177-V218 HydrophobicContact CZ3-CG2 3.9Å |
| 178 | T | 87.3 | Confident | 85.7 | Confident | 99 Ų | 99 | 54 Ų | 54 | 61% | 0.607 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.2 | 178.9 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | S174 M175 | S174-T178 WeakPolarHBondContact O-CB 3.48Å; S174-T178 WeakPolarHBondContact O-CG2 3.32Å; S174-T178 PolarHBondContact O-N 3.26Å; S174-T178 PolarHBondContact O-OG1 2.9Å; M175-T178 PolarHBondContact O-OG1 2.65Å |
| 179 | N | 87.2 | Confident | 85.9 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | trans | -68.1 | 128.9 | 179.6 | -164.8 | -62.2 | 0 | 0 | 0 | 110.7 | F141 M175 I176 W177 S181 F182 | F141-N179 VanDerWaalsContact CD2-ND2 3.29Å; F141-N179 WeakPolarHBondContact CD2-ND2 3.45Å; F141-N179 HydrophobicContact CE1-CB 4.19Å; F141-N179 HydrophobicContact CE2-CB 3.91Å; F141-N179 WeakPolarHBondContact CE2-ND2 3.38Å; F141-N179 HydrophobicContact CZ-CB 3.71Å; M175-N179 PolarHBondContact O-N 3.08Å; I176-N179 VanDerWaalsContact O-CB 3.27Å; I176-N179 WeakPolarHBondContact O-CB 3.44Å; I176-N179 PolarHBondContact O-N 3.39Å; W177-N179 PolarHBondContact O-N 3.24Å; N179-S181 PolarHBondContact O-N 3.13Å; N179-S181 WeakPolarHBondContact OD1-CB 3.4Å; N179-S181 PolarHBondContact OD1-N 3.15Å; N179-S181 PolarHBondContact OD1-OG 3.44Å; N179-S181 VanDerWaalsContact OD1-OG 3.08Å; N179-F182 WeakPolarHBondContact O-CB 3.42Å; N179-F182 PolarHBondContact O-N 3.45Å | ||
| 180 | P | 84.3 | Confident | 86 | Confident | 118 Ų | 118 | 54.2 Ų | 54.2 | 77% | 0.766 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.9 | 177.4 | -26 | 33.9 | 0 | 0 | 0 | 114.3 | F182 | P180-F182 VanDerWaalsContact C-N 3.34Š|
| 181 | S | 84.7 | Confident | 85.9 | Confident | 24 Ų | 24 | 49 Ų | 49 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3.6 | -177.2 | -45.8 | 0 | 0 | 0 | 0 | 113.4 | N145 N179 S183 K184 | N145-S181 WeakPolarHBondContact ND2-CB 3.43Å; N145-S181 PolarHBondContact ND2-OG 2.75Å; N145-S181 VanDerWaalsContact OD1-CB 3.32Å; N145-S181 WeakPolarHBondContact OD1-CB 3.13Å; N179-S181 PolarHBondContact O-N 3.13Å; N179-S181 WeakPolarHBondContact OD1-CB 3.4Å; N179-S181 PolarHBondContact OD1-N 3.15Å; N179-S181 PolarHBondContact OD1-OG 3.44Å; N179-S181 VanDerWaalsContact OD1-OG 3.08Å; S181-S183 PolarHBondContact O-N 3.31Å; S181-K184 VanDerWaalsContact O-CB 3.31Å; S181-K184 WeakPolarHBondContact O-CB 2.98Å; S181-K184 PolarHBondContact O-N 3.12Å; S181-K184 VanDerWaalsContact O-N 3.13Å |
| 182 | F | 86.9 | Confident | 85.4 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.6 | -176.1 | -176.6 | -99.1 | 0 | 0 | 0 | 112.7 | I176 W177 N179 P180 K184 I185 Y186 L204 I207 | I176-F182 HydrophobicContact CG2-CD2 3.99Å; I176-F182 HydrophobicContact CG2-CE2 4.06Å; I176-F182 WeakPolarHBondContact O-CD2 3.13Å; W177-F182 HydrophobicContact CD2-CE1 4.42Å; W177-F182 HydrophobicContact CE3-CD1 4.37Å; W177-F182 AromaticContact CE3-CE1 3.59Å; W177-F182 HydrophobicContact CE3-CE1 3.59Å; W177-F182 HydrophobicContact CE3-CE2 4.27Å; W177-F182 AromaticContact CE3-CZ 3.55Å; W177-F182 HydrophobicContact CE3-CZ 3.55Å; W177-F182 HydrophobicContact CH2-CE1 4.32Å; W177-F182 AromaticContact CZ3-CE1 3.55Å; W177-F182 HydrophobicContact CZ3-CE1 3.55Å; W177-F182 AromaticContact CZ3-CZ 3.67Å; W177-F182 HydrophobicContact CZ3-CZ 3.67Å; N179-F182 WeakPolarHBondContact O-CB 3.42Å; N179-F182 PolarHBondContact O-N 3.45Å; P180-F182 VanDerWaalsContact C-N 3.34Å; F182-K184 PolarHBondContact O-N 3.44Å; F182-I185 HydrophobicContact CD2-CD1 3.64Å; F182-I185 HydrophobicContact CE2-CD1 3.79Å; F182-I185 HydrophobicContact CG-CD1 4.46Å; F182-I185 VanDerWaalsContact O-CB 3.28Å; F182-I185 WeakPolarHBondContact O-CB 3.34Å; F182-I185 WeakPolarHBondContact O-CG1 3.37Å; F182-I185 PolarHBondContact O-N 2.95Å; F182-Y186 HydrophobicContact CD1-CE2 4.11Å; F182-Y186 AromaticContact CE1-CE2 3.89Å; F182-Y186 HydrophobicContact CE1-CE2 3.89Å; F182-Y186 AromaticContact CE1-CZ 3.71Å; F182-Y186 WeakPolarHBondContact CE1-OH 3.44Å; F182-L204 HydrophobicContact CE1-CD2 4.49Å; F182-L204 HydrophobicContact CE2-CD2 4.3Å; F182-L204 HydrophobicContact CZ-CD2 3.64Å; F182-I207 HydrophobicContact CE2-CD1 3.75Å; F182-I207 HydrophobicContact CZ-CD1 4.29Å |
| 183 | S | 86.2 | Confident | 85.4 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 57% | 0.573 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -55.5 | -27.9 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | S181 I185 Y186 | S181-S183 PolarHBondContact O-N 3.31Å; S183-I185 PolarHBondContact O-N 3.49Å; S183-Y186 PolarHBondContact O-N 2.83Å |
| 184 | K | 85.1 | Confident | 85.4 | Confident | 75 Ų | 75 | 56.7 Ų | 56.7 | 33% | 0.326 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 175.7 | -167.6 | 70.4 | -177.7 | -176.1 | 0 | 111.7 | V144 S181 F182 Y186 S187 V188 | V144-K184 HydrophobicContact CG1-CB 4.39Å; V144-K184 HydrophobicContact CG1-CG 4.27Å; S181-K184 VanDerWaalsContact O-CB 3.31Å; S181-K184 WeakPolarHBondContact O-CB 2.98Å; S181-K184 PolarHBondContact O-N 3.12Å; S181-K184 VanDerWaalsContact O-N 3.13Å; F182-K184 PolarHBondContact O-N 3.44Å; K184-Y186 VanDerWaalsContact C-N 3.28Å; K184-Y186 PolarHBondContact O-N 3.35Å; K184-S187 WeakPolarHBondContact CD-OG 3.47Å; K184-S187 WeakPolarHBondContact O-CA 3.28Å; K184-S187 WeakPolarHBondContact O-CB 3.4Å; K184-S187 PolarHBondContact O-N 3.33Å; K184-S187 PolarHBondContact O-OG 3.4Å; K184-V188 WeakPolarHBondContact O-CG2 3.5Å; K184-V188 PolarHBondContact O-N 3.18Å |
| 185 | I | 89.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 178.9 | -61.5 | 174.6 | 0 | 0 | 0 | 110.7 | F141 F182 S183 S187 V188 C189 L203 L204 | F141-I185 HydrophobicContact CE1-CD1 4.44Å; F182-I185 HydrophobicContact CD2-CD1 3.64Å; F182-I185 HydrophobicContact CE2-CD1 3.79Å; F182-I185 HydrophobicContact CG-CD1 4.46Å; F182-I185 VanDerWaalsContact O-CB 3.28Å; F182-I185 WeakPolarHBondContact O-CB 3.34Å; F182-I185 WeakPolarHBondContact O-CG1 3.37Å; F182-I185 PolarHBondContact O-N 2.95Å; S183-I185 PolarHBondContact O-N 3.49Å; I185-S187 VanDerWaalsContact C-N 3.29Å; I185-S187 PolarHBondContact O-N 3.25Å; I185-V188 WeakPolarHBondContact O-CB 3.43Å; I185-V188 PolarHBondContact O-N 3.22Å; I185-V188 VanDerWaalsContact O-N 3.08Å; I185-C189 PolarHBondContact O-N 3.26Å; I185-C189 PolarHBondContact O-SG 2.89Å; I185-L203 HydrophobicContact CD1-CD2 3.96Å; I185-L204 HydrophobicContact CG2-CD2 4.3Å; I185-L204 HydrophobicContact CG2-CG 4.43Å |
| 186 | Y | 89.1 | Confident | 85.3 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 174.2 | -60.6 | -58.3 | 0 | 0 | 0 | 112.7 | F182 S183 K184 V188 C189 L204 V218 E221 L222 | F182-Y186 HydrophobicContact CD1-CE2 4.11Å; F182-Y186 AromaticContact CE1-CE2 3.89Å; F182-Y186 HydrophobicContact CE1-CE2 3.89Å; F182-Y186 AromaticContact CE1-CZ 3.71Å; F182-Y186 WeakPolarHBondContact CE1-OH 3.44Å; S183-Y186 PolarHBondContact O-N 2.83Å; K184-Y186 VanDerWaalsContact C-N 3.28Å; K184-Y186 PolarHBondContact O-N 3.35Å; Y186-V188 VanDerWaalsContact C-N 3.33Å; Y186-C189 WeakPolarHBondContact O-CB 3.42Å; Y186-C189 PolarHBondContact O-N 2.9Å; Y186-L204 HydrophobicContact CE1-CD2 4.41Å; Y186-V218 HydrophobicContact CE1-CG2 4.08Å; Y186-V218 WeakPolarHBondContact OH-CG2 3.47Å; Y186-E221 HydrophobicContact CD1-CB 4.37Å; Y186-E221 HydrophobicContact CD2-CB 4.49Å; Y186-E221 HydrophobicContact CE1-CB 4.22Å; Y186-E221 HydrophobicContact CE2-CB 4.36Å; Y186-E221 HydrophobicContact CE2-CG 4.18Å; Y186-E221 HydrophobicContact CG-CB 4.49Å; Y186-L222 HydrophobicContact CD1-CD2 4.15Å; Y186-L222 HydrophobicContact CD1-CG 4.29Å |
| 187 | S | 84.5 | Confident | 85.3 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 174.3 | 78.7 | 0 | 0 | 0 | 0 | 111.7 | K184 I185 R190 | K184-S187 WeakPolarHBondContact CD-OG 3.47Å; K184-S187 WeakPolarHBondContact O-CA 3.28Å; K184-S187 WeakPolarHBondContact O-CB 3.4Å; K184-S187 PolarHBondContact O-N 3.33Å; K184-S187 PolarHBondContact O-OG 3.4Å; I185-S187 VanDerWaalsContact C-N 3.29Å; I185-S187 PolarHBondContact O-N 3.25Å; S187-R190 PolarHBondContact O-N 3.28Å |
| 188 | V | 85.7 | Confident | 85.4 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | I158 K184 I185 Y186 R190 N191 L196 | I158-V188 HydrophobicContact CD1-CG1 4.15Å; K184-V188 WeakPolarHBondContact O-CG2 3.5Å; K184-V188 PolarHBondContact O-N 3.18Å; I185-V188 WeakPolarHBondContact O-CB 3.43Å; I185-V188 PolarHBondContact O-N 3.22Å; I185-V188 VanDerWaalsContact O-N 3.08Å; Y186-V188 VanDerWaalsContact C-N 3.33Å; V188-R190 PolarHBondContact O-N 3.26Å; V188-R190 VanDerWaalsContact O-N 3.11Å; V188-N191 VanDerWaalsContact O-CB 3.31Å; V188-N191 WeakPolarHBondContact O-CB 3.28Å; V188-N191 PolarHBondContact O-N 3.11Å; V188-N191 VanDerWaalsContact O-N 3.08Å; V188-N191 PolarHBondContact O-ND2 3.05Å; V188-L196 HydrophobicContact CG1-CD1 3.99Å; V188-L196 HydrophobicContact CG1-CD2 3.46Å; V188-L196 VanDerWaalsContact CG1-CD2 3.46Å; V188-L196 HydrophobicContact CG1-CG 3.53Å |
| 189 | C | 84.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.1 | 174.1 | -69.8 | 0 | 0 | 0 | 0 | 114.3 | I185 Y186 C200 L222 Y226 | I185-C189 PolarHBondContact O-N 3.26Å; I185-C189 PolarHBondContact O-SG 2.89Å; Y186-C189 WeakPolarHBondContact O-CB 3.42Å; Y186-C189 PolarHBondContact O-N 2.9Å; C189-C200 WeakPolarHBondContact SG-CB 3.36Å; C189-L222 HydrophobicContact CB-CD2 4.18Å; C189-Y226 PolarHBondContact O-OH 3.22Å |
| 190 | R | 84.3 | Confident | 85.7 | Confident | 154 Ų | 154 | 49.5 Ų | 49.5 | 58% | 0.581 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 1.1 | -179.5 | -63.5 | 179.2 | -176.9 | 178 | 3 | 112.9 | S187 V188 E221 Y226 | S187-R190 PolarHBondContact O-N 3.28Å; V188-R190 PolarHBondContact O-N 3.26Å; V188-R190 VanDerWaalsContact O-N 3.11Å; R190-E221 PolarHBondContact NH2-O 2.99Å; R190-Y226 HydrophobicContact CG-CE2 4.46Å |
| 191 | N | 78.4 | Confident | 86 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -69.6 | 156.8 | 176.8 | -75.5 | -27.8 | 0 | 0 | 0 | 112.5 | V188 N193 | V188-N191 VanDerWaalsContact O-CB 3.31Å; V188-N191 WeakPolarHBondContact O-CB 3.28Å; V188-N191 PolarHBondContact O-N 3.11Å; V188-N191 VanDerWaalsContact O-N 3.08Å; V188-N191 PolarHBondContact O-ND2 3.05Å; N191-N193 VanDerWaalsContact C-N 3.26Å; N191-N193 PolarHBondContact O-N 2.82Å |
| 192 | S | 74.9 | Confident | 86.3 | Confident | 117 Ų | 117 | 48.6 Ų | 48.6 | 82% | 0.818 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -72.3 | -15.3 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | H194 | S192-H194 PolarHBondContact O-N 3.4Š|
| 193 | N | 85.4 | Confident | 86.6 | Confident | 58 Ų | 58 | 48 Ų | 48 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | trans | -79 | 111.4 | -178.4 | -173.2 | -17.4 | 0 | 0 | 0 | 111.4 | N191 K195 L196 T197 | N191-N193 VanDerWaalsContact C-N 3.26Å; N191-N193 PolarHBondContact O-N 2.82Å; N193-K195 PolarHBondContact O-N 3.36Å; N193-K195 PolarHBondContact OD1-N 3.38Å; N193-L196 HydrophobicContact CB-CB 4.09Å; N193-L196 PolarHBondContact O-N 3.3Å; N193-T197 PolarHBondContact O-N 3.01Å; N193-T197 PolarHBondContact O-OG1 2.98Å | ||
| 194 | H | 85 | Confident | 86.8 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 35% | 0.352 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -38 | -179.7 | -63.8 | -51.5 | 0 | 0 | 0 | 113.9 | S192 T197 I198 H238 | S192-H194 PolarHBondContact O-N 3.4Å; H194-T197 PolarHBondContact O-N 3.08Å; H194-I198 WeakPolarHBondContact O-CB 3.48Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.48Å; H194-I198 PolarHBondContact O-N 3.15Å; H194-H238 HydrophobicContact CB-CB 4.48Å; H194-H238 AromaticContact CE1-ND1 3.98Å; H194-H238 AromaticContact ND1-CE1 3.73Å; H194-H238 AromaticContact ND1-CG 3.76Å; H194-H238 AromaticContact ND1-ND1 3.53Å |
| 195 | K | 85.5 | Confident | 87.1 | Confident | 140 Ų | 140 | 41.2 Ų | 41.2 | 61% | 0.609 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.7 | -45.6 | -179.7 | -69.3 | -174.7 | 177.2 | -178 | 0 | 111.4 | N193 T197 I198 A199 | N193-K195 PolarHBondContact O-N 3.36Å; N193-K195 PolarHBondContact OD1-N 3.38Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.6Å; K195-I198 PolarHBondContact O-N 3.13Å; K195-A199 PolarHBondContact O-N 3.06Å |
| 196 | L | 86.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 177.3 | -171.9 | 61.9 | 0 | 0 | 0 | 111.3 | L154 E155 I158 V188 N193 A199 C200 | L154-L196 HydrophobicContact CB-CD1 3.93Å; E155-L196 HydrophobicContact CB-CD1 4.07Å; I158-L196 HydrophobicContact CD1-CD1 3.83Å; V188-L196 HydrophobicContact CG1-CD1 3.99Å; V188-L196 HydrophobicContact CG1-CD2 3.46Å; V188-L196 VanDerWaalsContact CG1-CD2 3.46Å; V188-L196 HydrophobicContact CG1-CG 3.53Å; N193-L196 HydrophobicContact CB-CB 4.09Å; N193-L196 PolarHBondContact O-N 3.3Å; L196-A199 PolarHBondContact O-N 3.33Å; L196-C200 PolarHBondContact O-N 3.27Å; L196-C200 PolarHBondContact O-SG 3.11Å |
| 197 | T | 88.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.4 | -55 | 0 | 0 | 0 | 0 | 111.7 | N193 H194 K195 A199 C200 H201 H238 | N193-T197 PolarHBondContact O-N 3.01Å; N193-T197 PolarHBondContact O-OG1 2.98Å; H194-T197 PolarHBondContact O-N 3.08Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.6Å; T197-A199 VanDerWaalsContact C-N 3.34Å; T197-A199 PolarHBondContact O-N 3.21Å; T197-C200 PolarHBondContact O-N 3.36Å; T197-H201 VanDerWaalsContact CG2-CE1 3.42Å; T197-H201 WeakPolarHBondContact CG2-CE1 3.35Å; T197-H201 VanDerWaalsContact O-CG 3.31Å; T197-H201 PolarHBondContact O-N 3.32Å; T197-H238 WeakPolarHBondContact CG2-NE2 3.48Å |
| 198 | I | 88.7 | Confident | 87.3 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 174.3 | -73.6 | 166.3 | 0 | 0 | 0 | 110.8 | H194 K195 C200 H201 R202 E237 H238 E241 | H194-I198 WeakPolarHBondContact O-CB 3.48Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.48Å; H194-I198 PolarHBondContact O-N 3.15Å; K195-I198 PolarHBondContact O-N 3.13Å; I198-C200 VanDerWaalsContact C-N 3.33Å; I198-C200 PolarHBondContact O-N 3.32Å; I198-H201 PolarHBondContact O-N 3.36Å; I198-R202 WeakPolarHBondContact O-CG 3.33Å; I198-R202 PolarHBondContact O-N 3.31Å; I198-E237 HydrophobicContact CD1-CB 4.24Å; I198-H238 HydrophobicContact CD1-CB 4.28Å; I198-H238 HydrophobicContact CG1-CB 4.46Å; I198-E241 HydrophobicContact CB-CG 4.33Å; I198-E241 HydrophobicContact CG1-CB 4.1Å; I198-E241 HydrophobicContact CG1-CG 4.26Å; I198-E241 HydrophobicContact CG2-CG 3.96Å |
| 199 | A | 89.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E155 I158 V159 K195 L196 T197 R202 L203 | E155-A199 HydrophobicContact CG-CB 4.28Å; I158-A199 HydrophobicContact CB-CB 4.49Å; I158-A199 HydrophobicContact CG2-CB 3.9Å; I158-A199 WeakPolarHBondContact CG2-O 3.25Å; V159-A199 HydrophobicContact CG2-CB 4.2Å; K195-A199 PolarHBondContact O-N 3.06Å; L196-A199 PolarHBondContact O-N 3.33Å; T197-A199 VanDerWaalsContact C-N 3.34Å; T197-A199 PolarHBondContact O-N 3.21Å; A199-R202 PolarHBondContact O-N 3.4Å; A199-L203 PolarHBondContact O-N 2.94Å |
| 200 | C | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 175.7 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | I158 C189 L196 T197 I198 R202 L203 L204 | I158-C200 VanDerWaalsContact CD1-SG 3.53Å; C189-C200 WeakPolarHBondContact SG-CB 3.36Å; L196-C200 PolarHBondContact O-N 3.27Å; L196-C200 PolarHBondContact O-SG 3.11Å; T197-C200 PolarHBondContact O-N 3.36Å; I198-C200 VanDerWaalsContact C-N 3.33Å; I198-C200 PolarHBondContact O-N 3.32Å; C200-R202 VanDerWaalsContact C-N 3.3Å; C200-R202 PolarHBondContact O-N 3.08Å; C200-L203 PolarHBondContact O-N 3.5Å; C200-L204 WeakPolarHBondContact O-CB 3.45Å; C200-L204 WeakPolarHBondContact O-CG 3.25Å; C200-L204 PolarHBondContact O-N 2.77Å |
| 201 | H | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 177 | -72.1 | 167.8 | 0 | 0 | 0 | 111.7 | T197 I198 L204 A205 Y226 E241 F245 | T197-H201 VanDerWaalsContact CG2-CE1 3.42Å; T197-H201 WeakPolarHBondContact CG2-CE1 3.35Å; T197-H201 VanDerWaalsContact O-CG 3.31Å; T197-H201 PolarHBondContact O-N 3.32Å; I198-H201 PolarHBondContact O-N 3.36Å; H201-L204 PolarHBondContact O-N 2.86Å; H201-A205 WeakPolarHBondContact O-CB 3.28Å; H201-A205 PolarHBondContact O-N 2.95Å; H201-Y226 AromaticContact NE2-CE1 3.63Å; H201-Y226 AromaticContact NE2-CZ 3.68Å; H201-Y226 PolarHBondContact NE2-OH 3.45Å; H201-E241 HydrophobicContact CB-CG 4.06Å; H201-F245 HydrophobicContact CB-CB 4.08Å; H201-F245 HydrophobicContact CB-CD1 4.16Å; H201-F245 HydrophobicContact CB-CG 4.18Å; H201-F245 AromaticContact CD2-CD1 3.54Å; H201-F245 AromaticContact CD2-CE1 3.82Å; H201-F245 AromaticContact CG-CD1 3.84Å |
| 202 | R | 90.9 | Very high | 86.4 | Confident | 122 Ų | 122 | 45.7 Ų | 45.7 | 46% | 0.46 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 175.5 | -72.9 | 176.8 | -177.4 | 164.4 | 7 | 112.7 | I198 A199 C200 Q206 E241 | I198-R202 WeakPolarHBondContact O-CG 3.33Å; I198-R202 PolarHBondContact O-N 3.31Å; A199-R202 PolarHBondContact O-N 3.4Å; C200-R202 VanDerWaalsContact C-N 3.3Å; C200-R202 PolarHBondContact O-N 3.08Å; R202-Q206 WeakPolarHBondContact O-CG 3.42Å; R202-Q206 PolarHBondContact O-N 3.32Å; R202-Q206 VanDerWaalsContact O-N 3.14Å; R202-E241 HydrophobicContact CG-CG 4.44Å; R202-E241 WeakPolarHBondContact CG-OE1 3.39Å; R202-E241 IonicContact CZ-OE2 2.77Å; R202-E241 IonicContact NE-OE1 2.97Å; R202-E241 PolarHBondContact NE-OE1 3.22Å; R202-E241 IonicContact NE-OE2 2.72Å; R202-E241 PolarHBondContact NE-OE2 2.95Å; R202-E241 IonicContact NH2-OE2 3.98Å; R202-E241 PolarHBondContact NH2-OE2 2.66Å |
| 203 | L | 91.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | 176.6 | 176.6 | 62 | 0 | 0 | 0 | 110.5 | I158 L161 I165 I185 A199 C200 A205 Q206 I207 | I158-L203 HydrophobicContact CG2-CB 4.09Å; I158-L203 HydrophobicContact CG2-CD2 3.95Å; L161-L203 HydrophobicContact CB-CD1 3.93Å; L161-L203 HydrophobicContact CB-CD2 4.21Å; L161-L203 HydrophobicContact CD1-CD2 4.11Å; I165-L203 HydrophobicContact CD1-CD1 3.56Å; I185-L203 HydrophobicContact CD1-CD2 3.96Å; A199-L203 PolarHBondContact O-N 2.94Å; C200-L203 PolarHBondContact O-N 3.5Å; L203-A205 PolarHBondContact O-N 3.02Å; L203-Q206 PolarHBondContact O-N 3.37Å; L203-I207 HydrophobicContact CD1-CD1 3.95Å; L203-I207 HydrophobicContact CD1-CG1 4.42Å; L203-I207 HydrophobicContact CG-CD1 3.93Å; L203-I207 WeakPolarHBondContact O-CG1 3.41Å; L203-I207 PolarHBondContact O-N 3.19Å; L203-I207 VanDerWaalsContact O-N 3.11Å |
| 204 | L | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -41 | -179.8 | -69.4 | 175.7 | 0 | 0 | 0 | 111.9 | F182 I185 Y186 C200 H201 Q206 I207 V208 L222 F245 | F182-L204 HydrophobicContact CE1-CD2 4.49Å; F182-L204 HydrophobicContact CE2-CD2 4.3Å; F182-L204 HydrophobicContact CZ-CD2 3.64Å; I185-L204 HydrophobicContact CG2-CD2 4.3Å; I185-L204 HydrophobicContact CG2-CG 4.43Å; Y186-L204 HydrophobicContact CE1-CD2 4.41Å; C200-L204 WeakPolarHBondContact O-CB 3.45Å; C200-L204 WeakPolarHBondContact O-CG 3.25Å; C200-L204 PolarHBondContact O-N 2.77Å; H201-L204 PolarHBondContact O-N 2.86Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.03Å; L204-I207 PolarHBondContact O-N 3.28Å; L204-V208 WeakPolarHBondContact O-CG1 3.38Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 3.43Å; L204-L222 HydrophobicContact CD1-CD1 4.38Å; L204-F245 HydrophobicContact CB-CD2 4.38Å; L204-F245 HydrophobicContact CB-CE2 3.5Å; L204-F245 HydrophobicContact CB-CZ 3.62Å; L204-F245 HydrophobicContact CD1-CE1 4.35Å; L204-F245 HydrophobicContact CD1-CZ 3.83Å; L204-F245 HydrophobicContact CG-CZ 4.38Å |
| 205 | A | 90.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H201 L203 I207 E209 F245 A248 | H201-A205 WeakPolarHBondContact O-CB 3.28Å; H201-A205 PolarHBondContact O-N 2.95Å; L203-A205 PolarHBondContact O-N 3.02Å; A205-I207 VanDerWaalsContact C-N 3.35Å; A205-E209 PolarHBondContact O-N 3.12Å; A205-F245 HydrophobicContact CB-CD2 3.93Å; A205-A248 HydrophobicContact CB-CB 3.67Å |
| 206 | Q | 89.5 | Confident | 87.2 | Confident | 46 Ų | 46 | 36.6 Ų | 36.6 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68 | -32.8 | 177.8 | -73.1 | 175.5 | -9.2 | 0 | 0 | 113.3 | S162 I165 R202 L203 L204 | S162-Q206 VanDerWaalsContact CB-OE1 3.28Å; S162-Q206 PolarHBondContact O-OE1 3.03Å; I165-Q206 HydrophobicContact CD1-CB 4.36Å; I165-Q206 HydrophobicContact CG2-CB 4.18Å; R202-Q206 WeakPolarHBondContact O-CG 3.42Å; R202-Q206 PolarHBondContact O-N 3.32Å; R202-Q206 VanDerWaalsContact O-N 3.14Å; L203-Q206 PolarHBondContact O-N 3.37Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.03Å |
| 207 | I | 89 | Confident | 87.3 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.1 | -44.8 | 179.4 | -68.5 | 169.9 | 0 | 0 | 0 | 110.5 | I165 I176 W177 F182 L203 L204 A205 W214 | I165-I207 HydrophobicContact CD1-CD1 4.2Å; I165-I207 HydrophobicContact CD1-CG1 3.55Å; I176-I207 HydrophobicContact CG2-CD1 3.72Å; W177-I207 HydrophobicContact CE3-CG2 3.68Å; W177-I207 HydrophobicContact CZ3-CG2 4.24Å; F182-I207 HydrophobicContact CE2-CD1 3.75Å; F182-I207 HydrophobicContact CZ-CD1 4.29Å; L203-I207 HydrophobicContact CD1-CD1 3.95Å; L203-I207 HydrophobicContact CD1-CG1 4.42Å; L203-I207 HydrophobicContact CG-CD1 3.93Å; L203-I207 WeakPolarHBondContact O-CG1 3.41Å; L203-I207 PolarHBondContact O-N 3.19Å; L203-I207 VanDerWaalsContact O-N 3.11Å; L204-I207 PolarHBondContact O-N 3.28Å; A205-I207 VanDerWaalsContact C-N 3.35Å; I207-W214 HydrophobicContact CG2-CE3 3.54Å; I207-W214 HydrophobicContact CG2-CZ3 3.8Å |
| 208 | V | 88 | Confident | 87.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.2 | -22.7 | -175.2 | -58.9 | 0 | 0 | 0 | 0 | 114 | L204 N210 E211 W214 V218 A248 I249 S252 | L204-V208 WeakPolarHBondContact O-CG1 3.38Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 3.43Å; V208-N210 PolarHBondContact O-N 3.3Å; V208-E211 PolarHBondContact O-N 3.26Å; V208-W214 HydrophobicContact CG1-CB 4.37Å; V208-V218 HydrophobicContact CG1-CB 4.35Å; V208-V218 HydrophobicContact CG1-CG2 3.82Å; V208-A248 HydrophobicContact CG2-CB 4.3Å; V208-I249 HydrophobicContact CG2-CG1 4.39Å; V208-S252 WeakPolarHBondContact O-CB 3.38Å |
| 209 | E | 77.7 | Confident | 87.3 | Confident | 75 Ų | 75 | 39.4 Ų | 39.4 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -30.9 | -167.2 | -171 | 170.1 | -164.2 | 0 | 0 | 114.6 | A205 K257 | A205-E209 PolarHBondContact O-N 3.12Å; E209-K257 IonicContact OE1-NZ 2.66Å; E209-K257 PolarHBondContact OE1-NZ 3.32Å |
| 210 | N | 72.1 | Confident | 87.1 | Confident | 116 Ų | 116 | 46.1 Ų | 46.1 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -4.1 | -178.6 | -62.4 | -55.2 | 0 | 0 | 0 | 115.2 | V208 | V208-N210 PolarHBondContact O-N 3.3Š|
| 211 | E | 83 | Confident | 87 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | trans | -127.2 | 109.3 | -169.4 | -67.4 | -69 | 173.7 | 0 | 0 | 111.2 | V208 W214 G215 | V208-E211 PolarHBondContact O-N 3.26Å; E211-W214 HydrophobicContact CB-CB 4.09Å; E211-W214 HydrophobicContact CB-CD2 3.51Å; E211-W214 HydrophobicContact CB-CE3 3.53Å; E211-W214 HydrophobicContact CB-CG 3.78Å; E211-W214 HydrophobicContact CB-CZ3 4.11Å; E211-W214 HydrophobicContact CG-CD2 3.9Å; E211-W214 HydrophobicContact CG-CE3 3.67Å; E211-W214 HydrophobicContact CG-CH2 3.94Å; E211-W214 HydrophobicContact CG-CZ2 4.15Å; E211-W214 HydrophobicContact CG-CZ3 3.69Å; E211-W214 PolarHBondContact O-N 2.87Å; E211-G215 PolarHBondContact O-N 2.91Å | ||
| 212 | R | 82.3 | Confident | 86.7 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 28% | 0.279 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.5 | -47.3 | -171.6 | -171.4 | -172.3 | -57.8 | 152.3 | 6 | 113.1 | W214 G215 L216 S252 D288 V291 | R212-W214 PolarHBondContact O-N 3.49Å; R212-G215 PolarHBondContact O-N 3.23Å; R212-G215 VanDerWaalsContact O-N 3.12Å; R212-L216 PolarHBondContact O-N 3.19Å; R212-L216 VanDerWaalsContact O-N 3.1Å; R212-S252 WeakPolarHBondContact CA-O 3.06Å; R212-D288 IonicContact NH1-OD2 3.31Å; R212-D288 PolarHBondContact NH1-OD2 2.98Å; R212-V291 HydrophobicContact CG-CG1 4.24Å |
| 213 | D | 85.2 | Confident | 86.4 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 59% | 0.594 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.5 | -31.7 | -176.1 | -63.2 | -25.7 | 0 | 0 | 0 | 111.5 | T217 | D213-T217 WeakPolarHBondContact O-CB 3.34Å; D213-T217 PolarHBondContact O-N 3.39Å; D213-T217 PolarHBondContact O-OG1 3.06Å |
| 214 | W | 89.2 | Confident | 85.8 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 176.5 | -60.3 | 1.1 | 0 | 0 | 0 | 110.7 | W177 I207 V208 E211 R212 T217 V218 | W177-W214 HydrophobicContact CB-CE3 4.46Å; W177-W214 HydrophobicContact CB-CH2 3.99Å; W177-W214 HydrophobicContact CB-CZ2 4.06Å; W177-W214 HydrophobicContact CB-CZ3 4.19Å; W177-W214 AromaticContact CD1-CE2 3.56Å; W177-W214 AromaticContact CD1-CZ2 3.81Å; W177-W214 AromaticContact CD1-NE1 3.6Å; W177-W214 HydrophobicContact CD2-CB 4.41Å; W177-W214 AromaticContact CD2-CD2 3.64Å; W177-W214 HydrophobicContact CD2-CD2 3.64Å; W177-W214 AromaticContact CD2-CE2 3.89Å; W177-W214 HydrophobicContact CD2-CE3 4.08Å; W177-W214 AromaticContact CD2-CG 3.8Å; W177-W214 HydrophobicContact CD2-CG 3.8Å; W177-W214 AromaticContact CE2-CD1 3.39Å; W177-W214 AromaticContact CE2-CD2 3.82Å; W177-W214 AromaticContact CE2-CE2 3.92Å; W177-W214 AromaticContact CE2-CG 3.52Å; W177-W214 AromaticContact CE2-NE1 3.65Å; W177-W214 HydrophobicContact CE3-CB 4.26Å; W177-W214 HydrophobicContact CE3-CD2 4.03Å; W177-W214 HydrophobicContact CE3-CE3 4.14Å; W177-W214 HydrophobicContact CE3-CG 4.1Å; W177-W214 AromaticContact CG-CD2 3.88Å; W177-W214 HydrophobicContact CG-CD2 3.88Å; W177-W214 AromaticContact CG-CE2 3.67Å; W177-W214 HydrophobicContact CG-CE3 4.23Å; W177-W214 HydrophobicContact CG-CG 4.43Å; W177-W214 HydrophobicContact CG-CH2 4.22Å; W177-W214 AromaticContact CG-CZ2 3.85Å; W177-W214 HydrophobicContact CG-CZ2 3.85Å; W177-W214 HydrophobicContact CG-CZ3 4.39Å; W177-W214 HydrophobicContact CH2-CB 3.55Å; W177-W214 AromaticContact CH2-CG 3.88Å; W177-W214 HydrophobicContact CH2-CG 3.88Å; W177-W214 HydrophobicContact CZ2-CB 3.74Å; W177-W214 AromaticContact CZ2-CD1 3.53Å; W177-W214 HydrophobicContact CZ2-CD2 4.33Å; W177-W214 AromaticContact CZ2-CG 3.58Å; W177-W214 HydrophobicContact CZ2-CG 3.58Å; W177-W214 HydrophobicContact CZ3-CB 3.83Å; W177-W214 HydrophobicContact CZ3-CD2 4.49Å; W177-W214 HydrophobicContact CZ3-CG 4.12Å; W177-W214 AromaticContact NE1-CD1 3.5Å; W177-W214 AromaticContact NE1-CE2 3.71Å; W177-W214 AromaticContact NE1-NE1 3.3Å; I207-W214 HydrophobicContact CG2-CE3 3.54Å; I207-W214 HydrophobicContact CG2-CZ3 3.8Å; V208-W214 HydrophobicContact CG1-CB 4.37Å; E211-W214 HydrophobicContact CB-CB 4.09Å; E211-W214 HydrophobicContact CB-CD2 3.51Å; E211-W214 HydrophobicContact CB-CE3 3.53Å; E211-W214 HydrophobicContact CB-CG 3.78Å; E211-W214 HydrophobicContact CB-CZ3 4.11Å; E211-W214 HydrophobicContact CG-CD2 3.9Å; E211-W214 HydrophobicContact CG-CE3 3.67Å; E211-W214 HydrophobicContact CG-CH2 3.94Å; E211-W214 HydrophobicContact CG-CZ2 4.15Å; E211-W214 HydrophobicContact CG-CZ3 3.69Å; E211-W214 PolarHBondContact O-N 2.87Å; R212-W214 PolarHBondContact O-N 3.49Å; W214-T217 PolarHBondContact O-N 3.5Å; W214-V218 WeakPolarHBondContact O-CB 3.38Å; W214-V218 VanDerWaalsContact O-CG2 3.25Å; W214-V218 WeakPolarHBondContact O-CG2 3.37Å; W214-V218 PolarHBondContact O-N 3.34Å |
| 215 | G | 87.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | E211 R212 V218 L219 S252 | E211-G215 PolarHBondContact O-N 2.91Å; R212-G215 PolarHBondContact O-N 3.23Å; R212-G215 VanDerWaalsContact O-N 3.12Å; G215-V218 PolarHBondContact O-N 3.43Å; G215-L219 WeakPolarHBondContact O-CB 3.47Å; G215-L219 PolarHBondContact O-N 3.04Å; G215-S252 WeakPolarHBondContact CA-OG 3.25Å |
| 216 | L | 86.7 | Confident | 85.1 | Confident | 50 Ų | 50 | 57 Ų | 57 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.3 | -80.2 | 175.5 | 0 | 0 | 0 | 112.3 | R212 L219 H220 L253 V291 P294 | R212-L216 PolarHBondContact O-N 3.19Å; R212-L216 VanDerWaalsContact O-N 3.1Å; L216-L219 PolarHBondContact O-N 3.38Å; L216-H220 PolarHBondContact O-N 2.82Å; L216-L253 HydrophobicContact CB-CD2 4.45Å; L216-L253 HydrophobicContact CD2-CD2 3.65Å; L216-L253 HydrophobicContact CG-CD2 3.56Å; L216-V291 HydrophobicContact CD1-CG1 3.99Å; L216-V291 HydrophobicContact CD2-CG1 4.17Å; L216-V291 HydrophobicContact CG-CG1 4.21Å; L216-P294 HydrophobicContact CD2-CG 4.21Å |
| 217 | T | 87.3 | Confident | 85 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | -179.4 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | W177 D213 W214 L219 H220 E221 | W177-T217 HydrophobicContact CH2-CG2 4.37Å; W177-T217 HydrophobicContact CZ2-CG2 4.31Å; D213-T217 WeakPolarHBondContact O-CB 3.34Å; D213-T217 PolarHBondContact O-N 3.39Å; D213-T217 PolarHBondContact O-OG1 3.06Å; W214-T217 PolarHBondContact O-N 3.5Å; T217-L219 VanDerWaalsContact C-N 3.33Å; T217-L219 PolarHBondContact O-N 3.28Å; T217-H220 PolarHBondContact O-N 2.93Å; T217-E221 WeakPolarHBondContact O-CG 3.45Å; T217-E221 PolarHBondContact O-N 2.64Å |
| 218 | V | 89.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 177 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | W177 Y186 V208 W214 G215 H220 E221 L222 F245 I249 | W177-V218 HydrophobicContact CH2-CG2 3.96Å; W177-V218 HydrophobicContact CZ3-CG2 3.9Å; Y186-V218 HydrophobicContact CE1-CG2 4.08Å; Y186-V218 WeakPolarHBondContact OH-CG2 3.47Å; V208-V218 HydrophobicContact CG1-CB 4.35Å; V208-V218 HydrophobicContact CG1-CG2 3.82Å; W214-V218 WeakPolarHBondContact O-CB 3.38Å; W214-V218 VanDerWaalsContact O-CG2 3.25Å; W214-V218 WeakPolarHBondContact O-CG2 3.37Å; W214-V218 PolarHBondContact O-N 3.34Å; G215-V218 PolarHBondContact O-N 3.43Å; V218-H220 VanDerWaalsContact C-N 3.35Å; V218-E221 PolarHBondContact O-N 2.88Å; V218-L222 HydrophobicContact CG1-CD1 4.06Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 3.31Å; V218-F245 HydrophobicContact CG1-CE2 4.22Å; V218-F245 HydrophobicContact CG1-CZ 3.58Å; V218-I249 HydrophobicContact CG1-CD1 4.22Å |
| 219 | L | 87.4 | Confident | 84.3 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177.5 | -177.2 | 63 | 0 | 0 | 0 | 111.7 | G215 L216 T217 T223 F227 L253 P294 I298 | G215-L219 WeakPolarHBondContact O-CB 3.47Å; G215-L219 PolarHBondContact O-N 3.04Å; L216-L219 PolarHBondContact O-N 3.38Å; T217-L219 VanDerWaalsContact C-N 3.33Å; T217-L219 PolarHBondContact O-N 3.28Å; L219-T223 WeakPolarHBondContact O-CA 3.44Å; L219-T223 PolarHBondContact O-N 2.87Å; L219-F227 HydrophobicContact CD1-CD2 4.22Å; L219-F227 HydrophobicContact CD1-CE2 3.83Å; L219-L253 HydrophobicContact CD2-CD1 4.49Å; L219-P294 HydrophobicContact CD2-CB 3.82Å; L219-I298 HydrophobicContact CD1-CD1 4.21Å; L219-I298 HydrophobicContact CD2-CD1 3.97Å |
| 220 | H | 86.9 | Confident | 84.5 | Confident | 146 Ų | 146 | 58.7 Ų | 58.7 | 68% | 0.676 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.8 | -46 | 176.7 | -174.6 | -91.3 | 0 | 0 | 0 | 112.1 | L216 T217 V218 T223 | L216-H220 PolarHBondContact O-N 2.82Å; T217-H220 PolarHBondContact O-N 2.93Å; V218-H220 VanDerWaalsContact C-N 3.35Å; H220-T223 PolarHBondContact O-N 2.78Å |
| 221 | E | 87.6 | Confident | 85.1 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | -178.3 | -73.7 | -59.3 | 139.8 | 0 | 0 | 113.9 | Y186 R190 T217 V218 | Y186-E221 HydrophobicContact CD1-CB 4.37Å; Y186-E221 HydrophobicContact CD2-CB 4.49Å; Y186-E221 HydrophobicContact CE1-CB 4.22Å; Y186-E221 HydrophobicContact CE2-CB 4.36Å; Y186-E221 HydrophobicContact CE2-CG 4.18Å; Y186-E221 HydrophobicContact CG-CB 4.49Å; R190-E221 PolarHBondContact NH2-O 2.99Å; T217-E221 WeakPolarHBondContact O-CG 3.45Å; T217-E221 PolarHBondContact O-N 2.64Å; V218-E221 PolarHBondContact O-N 2.88Å |
| 222 | L | 86.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -82.3 | -23 | 177 | -68.7 | 179.2 | 0 | 0 | 0 | 112.6 | Y186 C189 L204 V218 Y226 F227 F245 | Y186-L222 HydrophobicContact CD1-CD2 4.15Å; Y186-L222 HydrophobicContact CD1-CG 4.29Å; C189-L222 HydrophobicContact CB-CD2 4.18Å; L204-L222 HydrophobicContact CD1-CD1 4.38Å; V218-L222 HydrophobicContact CG1-CD1 4.06Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 3.31Å; L222-Y226 HydrophobicContact CB-CD1 3.98Å; L222-Y226 HydrophobicContact CB-CE1 4.49Å; L222-Y226 HydrophobicContact CB-CG 4.32Å; L222-Y226 HydrophobicContact CD1-CD1 4.29Å; L222-Y226 HydrophobicContact CD1-CE1 4.03Å; L222-Y226 HydrophobicContact CD2-CD1 4.46Å; L222-Y226 HydrophobicContact CD2-CE1 4.28Å; L222-Y226 HydrophobicContact CG-CD1 4.48Å; L222-Y226 WeakPolarHBondContact O-CB 3.38Å; L222-F227 HydrophobicContact CB-CE2 4.02Å; L222-F227 HydrophobicContact CB-CZ 4.35Å; L222-F227 HydrophobicContact CD1-CZ 4.11Å; L222-F245 HydrophobicContact CD1-CE1 3.56Å; L222-F245 HydrophobicContact CD1-CZ 3.91Å |
| 223 | T | 84.1 | Confident | 85.2 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | trans | 67.2 | 148.8 | -175.6 | 76.5 | 0 | 0 | 0 | 0 | 114.3 | L219 H220 Q225 Y226 F227 | L219-T223 WeakPolarHBondContact O-CA 3.44Å; L219-T223 PolarHBondContact O-N 2.87Å; H220-T223 PolarHBondContact O-N 2.78Å; T223-Q225 VanDerWaalsContact C-N 3.27Å; T223-Q225 PolarHBondContact O-N 3.09Å; T223-Y226 WeakPolarHBondContact O-CB 3.43Å; T223-Y226 PolarHBondContact O-N 3.28Å; T223-F227 WeakPolarHBondContact O-CD2 3.31Å | ||
| 224 | P | 79.8 | Confident | 84.8 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.1 | -36.5 | 176.3 | -27.5 | 35.7 | 0 | 0 | 0 | 114 | Y226 F227 V228 | P224-Y226 PolarHBondContact O-N 2.99Å; P224-F227 PolarHBondContact O-N 2.95Å; P224-V228 PolarHBondContact O-N 3.31Å |
| 225 | Q | 80.8 | Confident | 84.6 | Confident | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -32.9 | -179.3 | -166.1 | 68.1 | 32.8 | 0 | 0 | 112.6 | T223 F227 N229 | T223-Q225 VanDerWaalsContact C-N 3.27Å; T223-Q225 PolarHBondContact O-N 3.09Å; Q225-F227 VanDerWaalsContact C-N 3.3Å; Q225-F227 PolarHBondContact O-N 2.98Å; Q225-N229 PolarHBondContact NE2-OD1 3.49Å; Q225-N229 VanDerWaalsContact NE2-OD1 3.07Å; Q225-N229 WeakPolarHBondContact O-CB 3.42Å; Q225-N229 VanDerWaalsContact O-CG 3.3Å; Q225-N229 PolarHBondContact O-N 2.98Å |
| 226 | Y | 87.4 | Confident | 84.2 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -35.9 | 176.4 | 175.1 | -92.6 | 0 | 0 | 0 | 112.4 | C189 R190 H201 L222 T223 P224 G230 R242 | C189-Y226 PolarHBondContact O-OH 3.22Å; R190-Y226 HydrophobicContact CG-CE2 4.46Å; H201-Y226 AromaticContact NE2-CE1 3.63Å; H201-Y226 AromaticContact NE2-CZ 3.68Å; H201-Y226 PolarHBondContact NE2-OH 3.45Å; L222-Y226 HydrophobicContact CB-CD1 3.98Å; L222-Y226 HydrophobicContact CB-CE1 4.49Å; L222-Y226 HydrophobicContact CB-CG 4.32Å; L222-Y226 HydrophobicContact CD1-CD1 4.29Å; L222-Y226 HydrophobicContact CD1-CE1 4.03Å; L222-Y226 HydrophobicContact CD2-CD1 4.46Å; L222-Y226 HydrophobicContact CD2-CE1 4.28Å; L222-Y226 HydrophobicContact CG-CD1 4.48Å; L222-Y226 WeakPolarHBondContact O-CB 3.38Å; T223-Y226 WeakPolarHBondContact O-CB 3.43Å; T223-Y226 PolarHBondContact O-N 3.28Å; P224-Y226 PolarHBondContact O-N 2.99Å; Y226-G230 PolarHBondContact O-N 2.85Å; Y226-R242 VanDerWaalsContact CD2-NH2 3.31Å; Y226-R242 PolarHBondContact O-NE 3.41Å; Y226-R242 PolarHBondContact O-NH2 2.58Å |
| 227 | F | 86.3 | Confident | 83.9 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.9 | -50.3 | 177.3 | -67.7 | -82.7 | 0 | 0 | 0 | 110.6 | L219 L222 T223 P224 Q225 N229 G230 I231 R242 F245 L246 I249 | L219-F227 HydrophobicContact CD1-CD2 4.22Å; L219-F227 HydrophobicContact CD1-CE2 3.83Å; L222-F227 HydrophobicContact CB-CE2 4.02Å; L222-F227 HydrophobicContact CB-CZ 4.35Å; L222-F227 HydrophobicContact CD1-CZ 4.11Å; T223-F227 WeakPolarHBondContact O-CD2 3.31Å; P224-F227 PolarHBondContact O-N 2.95Å; Q225-F227 VanDerWaalsContact C-N 3.3Å; Q225-F227 PolarHBondContact O-N 2.98Å; F227-N229 PolarHBondContact O-N 3.37Å; F227-G230 PolarHBondContact O-N 3.41Å; F227-I231 WeakPolarHBondContact O-CG1 3.44Å; F227-I231 PolarHBondContact O-N 3.33Å; F227-R242 HydrophobicContact CD1-CG 4.29Å; F227-F245 AromaticContact CE1-CD1 3.68Å; F227-F245 HydrophobicContact CE1-CD1 3.68Å; F227-F245 AromaticContact CE1-CE1 3.79Å; F227-F245 HydrophobicContact CE1-CE1 3.79Å; F227-F245 HydrophobicContact CZ-CD1 4.24Å; F227-F245 AromaticContact CZ-CE1 3.87Å; F227-F245 HydrophobicContact CZ-CE1 3.87Å; F227-L246 HydrophobicContact CD1-CB 4.32Å; F227-L246 HydrophobicContact CD1-CD1 3.92Å; F227-L246 HydrophobicContact CE1-CD1 4.23Å; F227-L246 HydrophobicContact CG-CD1 4.16Å; F227-I249 HydrophobicContact CE1-CD1 3.86Å; F227-I249 HydrophobicContact CE2-CD1 4.35Å; F227-I249 HydrophobicContact CZ-CD1 3.44Å; F227-I249 VanDerWaalsContact CZ-CD1 3.44Å |
| 228 | V | 81.4 | Confident | 83.8 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.2 | -51.6 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | P224 G230 I231 F232 | P224-V228 PolarHBondContact O-N 3.31Å; V228-G230 PolarHBondContact O-N 2.86Å; V228-G230 VanDerWaalsContact O-N 3.14Å; V228-I231 PolarHBondContact O-N 3.13Å; V228-F232 HydrophobicContact CG1-CD2 4.49Å; V228-F232 HydrophobicContact CG1-CE2 4.1Å; V228-F232 WeakPolarHBondContact O-CD2 3.34Å |
| 229 | N | 81 | Confident | 83.5 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.2 | -28.4 | -178.9 | -72.9 | -9.2 | 0 | 0 | 0 | 113 | Q225 F227 | Q225-N229 PolarHBondContact NE2-OD1 3.49Å; Q225-N229 VanDerWaalsContact NE2-OD1 3.07Å; Q225-N229 WeakPolarHBondContact O-CB 3.42Å; Q225-N229 VanDerWaalsContact O-CG 3.3Å; Q225-N229 PolarHBondContact O-N 2.98Å; F227-N229 PolarHBondContact O-N 3.37Å |
| 230 | G | 83.1 | Confident | 83.5 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -92.1 | -23.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y226 F227 V228 F232 S233 R242 | Y226-G230 PolarHBondContact O-N 2.85Å; F227-G230 PolarHBondContact O-N 3.41Å; V228-G230 PolarHBondContact O-N 2.86Å; V228-G230 VanDerWaalsContact O-N 3.14Å; G230-F232 PolarHBondContact O-N 3.34Å; G230-S233 WeakPolarHBondContact O-CB 3.42Å; G230-S233 PolarHBondContact O-N 3.11Å; G230-S233 VanDerWaalsContact O-N 3.12Å; G230-R242 VanDerWaalsContact C-CD 3.41Å; G230-R242 VanDerWaalsContact CA-CZ 3.47Å; G230-R242 VanDerWaalsContact CA-NH1 3.3Å |
| 231 | I | 84.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -29.7 | 170.1 | -68 | 166.5 | 0 | 0 | 0 | 110.1 | F227 V228 S233 S239 L246 L302 L311 T315 I319 | F227-I231 WeakPolarHBondContact O-CG1 3.44Å; F227-I231 PolarHBondContact O-N 3.33Å; V228-I231 PolarHBondContact O-N 3.13Å; I231-S233 VanDerWaalsContact C-N 3.33Å; I231-S239 PolarHBondContact O-OG 2.99Å; I231-L246 HydrophobicContact CD1-CD2 4.19Å; I231-L302 HydrophobicContact CD1-CD2 3.74Å; I231-L311 HydrophobicContact CG2-CD1 3.53Å; I231-T315 HydrophobicContact CG2-CG2 4.34Å; I231-I319 HydrophobicContact CG2-CD1 3.98Å |
| 232 | F | 84.4 | Confident | 83.6 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 22.3 | 175 | -55.3 | -65.9 | 0 | 0 | 0 | 113.7 | V228 G230 R310 L311 | V228-F232 HydrophobicContact CG1-CD2 4.49Å; V228-F232 HydrophobicContact CG1-CE2 4.1Å; V228-F232 WeakPolarHBondContact O-CD2 3.34Å; G230-F232 PolarHBondContact O-N 3.34Å; F232-R310 HydrophobicContact CD1-CB 4.07Å; F232-L311 HydrophobicContact CD1-CD1 4.49Å; F232-L311 HydrophobicContact CE1-CD1 4.48Å |
| 233 | S | 82.1 | Confident | 83.7 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -65 | 140.9 | 178.7 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | G230 I231 N235 H238 | G230-S233 WeakPolarHBondContact O-CB 3.42Å; G230-S233 PolarHBondContact O-N 3.11Å; G230-S233 VanDerWaalsContact O-N 3.12Å; I231-S233 VanDerWaalsContact C-N 3.33Å; S233-N235 PolarHBondContact O-N 3.02Å; S233-H238 WeakPolarHBondContact CB-ND1 3.38Å; S233-H238 PolarHBondContact OG-ND1 3.18Å | ||
| 234 | R | 77.9 | Confident | 83.9 | Confident | 253 Ų | 253 | 54.7 Ų | 54.7 | 96% | 0.955 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -63.4 | -19.7 | 175.5 | -65.9 | -176.5 | -179 | 178.3 | -0 | 113.4 | ||
| 235 | N | 83.7 | Confident | 84.5 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -91.6 | 115.3 | 176.1 | -176.2 | -28.3 | 0 | 0 | 0 | 109.8 | S233 E237 H238 S239 | S233-N235 PolarHBondContact O-N 3.02Å; N235-E237 VanDerWaalsContact C-N 3.34Å; N235-E237 PolarHBondContact O-N 3.31Å; N235-E237 PolarHBondContact OD1-N 3.03Å; N235-H238 HydrophobicContact CB-CB 4.05Å; N235-H238 PolarHBondContact O-N 2.91Å; N235-S239 PolarHBondContact O-N 3.34Å |
| 236 | P | 79.3 | Confident | 84.9 | Confident | 73 Ų | 73 | 46 Ų | 46 | 47% | 0.474 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.5 | -32.7 | -174.7 | 26.5 | -34.8 | 0 | 0 | 0 | 113.4 | L240 C312 | P236-L240 WeakPolarHBondContact O-CB 3.45Å; P236-L240 PolarHBondContact O-N 2.6Å; P236-C312 HydrophobicContact CB-CB 4.37Å |
| 237 | E | 81 | Confident | 85.1 | Confident | 138 Ų | 138 | 45.6 Ų | 45.6 | 65% | 0.645 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.2 | -42.1 | 178.4 | -66 | -173 | 166.2 | 0 | 0 | 111.3 | I198 N235 L240 E241 | I198-E237 HydrophobicContact CD1-CB 4.24Å; N235-E237 VanDerWaalsContact C-N 3.34Å; N235-E237 PolarHBondContact O-N 3.31Å; N235-E237 PolarHBondContact OD1-N 3.03Å; E237-L240 PolarHBondContact O-N 2.75Å; E237-E241 WeakPolarHBondContact O-CB 3.41Å; E237-E241 PolarHBondContact O-N 3.24Å |
| 238 | H | 84.2 | Confident | 85.3 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69 | -40 | 179 | 175.4 | -122.5 | 0 | 0 | 0 | 111.9 | H194 T197 I198 S233 N235 R242 | H194-H238 HydrophobicContact CB-CB 4.48Å; H194-H238 AromaticContact CE1-ND1 3.98Å; H194-H238 AromaticContact ND1-CE1 3.73Å; H194-H238 AromaticContact ND1-CG 3.76Å; H194-H238 AromaticContact ND1-ND1 3.53Å; T197-H238 WeakPolarHBondContact CG2-NE2 3.48Å; I198-H238 HydrophobicContact CD1-CB 4.28Å; I198-H238 HydrophobicContact CG1-CB 4.46Å; S233-H238 WeakPolarHBondContact CB-ND1 3.38Å; S233-H238 PolarHBondContact OG-ND1 3.18Å; N235-H238 HydrophobicContact CB-CB 4.05Å; N235-H238 PolarHBondContact O-N 2.91Å; H238-R242 PolarHBondContact CE1-NH1 2.81Å; H238-R242 PolarHBondContact NE2-NH1 3.04Å; H238-R242 WeakPolarHBondContact O-CB 3.5Å; H238-R242 PolarHBondContact O-N 3.01Å |
| 239 | S | 84.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -49.9 | 171.7 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I231 N235 R242 C243 T315 | I231-S239 PolarHBondContact O-OG 2.99Å; N235-S239 PolarHBondContact O-N 3.34Å; S239-R242 WeakPolarHBondContact O-CB 3.5Å; S239-R242 PolarHBondContact O-N 3.36Å; S239-C243 PolarHBondContact O-N 3.09Å; S239-T315 WeakPolarHBondContact OG-CB 3.25Å; S239-T315 VanDerWaalsContact OG-CG2 3.32Å; S239-T315 WeakPolarHBondContact OG-CG2 3.48Å; S239-T315 PolarHBondContact OG-OG1 3.26Å |
| 240 | L | 85.9 | Confident | 86.1 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | -179.1 | -179.1 | 61.3 | 0 | 0 | 0 | 112.3 | P236 E237 R242 C243 R244 T315 Y318 | P236-L240 WeakPolarHBondContact O-CB 3.45Å; P236-L240 PolarHBondContact O-N 2.6Å; E237-L240 PolarHBondContact O-N 2.75Å; L240-R242 PolarHBondContact O-N 3.14Å; L240-C243 PolarHBondContact O-N 2.94Å; L240-R244 WeakPolarHBondContact O-CG 3.47Å; L240-R244 PolarHBondContact O-N 2.61Å; L240-T315 PolarHBondContact N-OG1 2.82Å; L240-Y318 HydrophobicContact CD1-CD1 4.37Å; L240-Y318 HydrophobicContact CD1-CD2 4.25Å; L240-Y318 HydrophobicContact CD1-CG 3.83Å |
| 241 | E | 88 | Confident | 86.5 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -34.3 | 177.4 | -165.9 | 69.1 | -138.7 | 0 | 0 | 111.6 | I198 H201 R202 E237 C243 R244 F245 | I198-E241 HydrophobicContact CB-CG 4.33Å; I198-E241 HydrophobicContact CG1-CB 4.1Å; I198-E241 HydrophobicContact CG1-CG 4.26Å; I198-E241 HydrophobicContact CG2-CG 3.96Å; H201-E241 HydrophobicContact CB-CG 4.06Å; R202-E241 HydrophobicContact CG-CG 4.44Å; R202-E241 WeakPolarHBondContact CG-OE1 3.39Å; R202-E241 IonicContact CZ-OE2 2.77Å; R202-E241 IonicContact NE-OE1 2.97Å; R202-E241 PolarHBondContact NE-OE1 3.22Å; R202-E241 IonicContact NE-OE2 2.72Å; R202-E241 PolarHBondContact NE-OE2 2.95Å; R202-E241 IonicContact NH2-OE2 3.98Å; R202-E241 PolarHBondContact NH2-OE2 2.66Å; E237-E241 WeakPolarHBondContact O-CB 3.41Å; E237-E241 PolarHBondContact O-N 3.24Å; E241-C243 PolarHBondContact O-N 2.53Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 3.48Å; E241-R244 IonicContact OE2-NH1 2.73Å; E241-R244 PolarHBondContact OE2-NH1 2.99Å; E241-F245 WeakPolarHBondContact O-CB 3.42Å; E241-F245 PolarHBondContact O-N 3.38Å |
| 242 | R | 89 | Confident | 86.6 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 176.4 | -151.8 | 175.3 | -144.8 | 122.3 | -10.4 | 112.3 | Y226 F227 G230 H238 S239 L240 F245 L246 | Y226-R242 VanDerWaalsContact CD2-NH2 3.31Å; Y226-R242 PolarHBondContact O-NE 3.41Å; Y226-R242 PolarHBondContact O-NH2 2.58Å; F227-R242 HydrophobicContact CD1-CG 4.29Å; G230-R242 VanDerWaalsContact C-CD 3.41Å; G230-R242 VanDerWaalsContact CA-CZ 3.47Å; G230-R242 VanDerWaalsContact CA-NH1 3.3Å; H238-R242 PolarHBondContact CE1-NH1 2.81Å; H238-R242 PolarHBondContact NE2-NH1 3.04Å; H238-R242 WeakPolarHBondContact O-CB 3.5Å; H238-R242 PolarHBondContact O-N 3.01Å; S239-R242 WeakPolarHBondContact O-CB 3.5Å; S239-R242 PolarHBondContact O-N 3.36Å; L240-R242 PolarHBondContact O-N 3.14Å; R242-F245 PolarHBondContact O-N 3.44Å; R242-L246 WeakPolarHBondContact O-CB 3.47Å; R242-L246 PolarHBondContact O-N 3.46Å |
| 243 | C | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 172.7 | -66 | 0 | 0 | 0 | 0 | 112 | S239 L240 E241 F245 L246 N247 T315 Y318 | S239-C243 PolarHBondContact O-N 3.09Å; L240-C243 PolarHBondContact O-N 2.94Å; E241-C243 PolarHBondContact O-N 2.53Å; C243-F245 VanDerWaalsContact C-N 3.33Å; C243-F245 PolarHBondContact O-N 3.38Å; C243-L246 PolarHBondContact O-N 3.4Å; C243-N247 WeakPolarHBondContact O-CB 3.46Å; C243-N247 PolarHBondContact O-N 3.04Å; C243-T315 HydrophobicContact CB-CG2 4.41Å; C243-T315 WeakPolarHBondContact SG-CG2 3.41Å; C243-Y318 HydrophobicContact CB-CD1 3.58Å; C243-Y318 HydrophobicContact CB-CE1 4.05Å |
| 244 | R | 88.9 | Confident | 87.1 | Confident | 100 Ų | 100 | 35 Ų | 35 | 38% | 0.377 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | 172.6 | -70.3 | 177.5 | -179.7 | 145.8 | -0.8 | 111.9 | L240 E241 N247 A248 Y318 | L240-R244 WeakPolarHBondContact O-CG 3.47Å; L240-R244 PolarHBondContact O-N 2.61Å; E241-R244 WeakPolarHBondContact O-CB 3.48Å; E241-R244 PolarHBondContact O-N 3.48Å; E241-R244 IonicContact OE2-NH1 2.73Å; E241-R244 PolarHBondContact OE2-NH1 2.99Å; R244-N247 WeakPolarHBondContact O-CB 3.43Å; R244-N247 PolarHBondContact O-N 3.16Å; R244-A248 PolarHBondContact O-N 3.22Å; R244-Y318 HydrophobicContact CB-CE1 4.34Å; R244-Y318 HydrophobicContact CG-CE1 3.83Å; R244-Y318 HydrophobicContact CG-CE2 4.14Å |
| 245 | F | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 176.5 | 178.2 | -144.6 | 0 | 0 | 0 | 111.8 | H201 L204 A205 V218 L222 F227 E241 R242 C243 N247 A248 I249 | H201-F245 HydrophobicContact CB-CB 4.08Å; H201-F245 HydrophobicContact CB-CD1 4.16Å; H201-F245 HydrophobicContact CB-CG 4.18Å; H201-F245 AromaticContact CD2-CD1 3.54Å; H201-F245 AromaticContact CD2-CE1 3.82Å; H201-F245 AromaticContact CG-CD1 3.84Å; L204-F245 HydrophobicContact CB-CD2 4.38Å; L204-F245 HydrophobicContact CB-CE2 3.5Å; L204-F245 HydrophobicContact CB-CZ 3.62Å; L204-F245 HydrophobicContact CD1-CE1 4.35Å; L204-F245 HydrophobicContact CD1-CZ 3.83Å; L204-F245 HydrophobicContact CG-CZ 4.38Å; A205-F245 HydrophobicContact CB-CD2 3.93Å; V218-F245 HydrophobicContact CG1-CE2 4.22Å; V218-F245 HydrophobicContact CG1-CZ 3.58Å; L222-F245 HydrophobicContact CD1-CE1 3.56Å; L222-F245 HydrophobicContact CD1-CZ 3.91Å; F227-F245 AromaticContact CE1-CD1 3.68Å; F227-F245 HydrophobicContact CE1-CD1 3.68Å; F227-F245 AromaticContact CE1-CE1 3.79Å; F227-F245 HydrophobicContact CE1-CE1 3.79Å; F227-F245 HydrophobicContact CZ-CD1 4.24Å; F227-F245 AromaticContact CZ-CE1 3.87Å; F227-F245 HydrophobicContact CZ-CE1 3.87Å; E241-F245 WeakPolarHBondContact O-CB 3.42Å; E241-F245 PolarHBondContact O-N 3.38Å; R242-F245 PolarHBondContact O-N 3.44Å; C243-F245 VanDerWaalsContact C-N 3.33Å; C243-F245 PolarHBondContact O-N 3.38Å; F245-N247 VanDerWaalsContact C-N 3.3Å; F245-N247 PolarHBondContact O-N 3.03Å; F245-A248 WeakPolarHBondContact O-CB 3.32Å; F245-A248 PolarHBondContact O-N 3.38Å; F245-A248 VanDerWaalsContact O-N 3.13Å; F245-I249 HydrophobicContact CD2-CD1 4.3Å; F245-I249 HydrophobicContact CD2-CG1 4.33Å; F245-I249 HydrophobicContact CE1-CD1 4.29Å; F245-I249 HydrophobicContact CE2-CD1 3.91Å; F245-I249 HydrophobicContact CE2-CG1 4.03Å; F245-I249 HydrophobicContact CZ-CD1 3.91Å; F245-I249 WeakPolarHBondContact O-CG1 3.46Å; F245-I249 PolarHBondContact O-N 3.16Å |
| 246 | L | 90.4 | Very high | 87.4 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -37.4 | 174.7 | -170.8 | 61.5 | 0 | 0 | 0 | 112.2 | F227 I231 R242 C243 I249 L250 I298 L302 | F227-L246 HydrophobicContact CD1-CB 4.32Å; F227-L246 HydrophobicContact CD1-CD1 3.92Å; F227-L246 HydrophobicContact CE1-CD1 4.23Å; F227-L246 HydrophobicContact CG-CD1 4.16Å; I231-L246 HydrophobicContact CD1-CD2 4.19Å; R242-L246 WeakPolarHBondContact O-CB 3.47Å; R242-L246 PolarHBondContact O-N 3.46Å; C243-L246 PolarHBondContact O-N 3.4Å; L246-I249 PolarHBondContact O-N 3.07Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 2.92Å; L246-I298 HydrophobicContact CD1-CD1 4Å; L246-I298 HydrophobicContact CD1-CG1 4.12Å; L246-I298 HydrophobicContact CD1-CG2 3.75Å; L246-I298 HydrophobicContact CD2-CG2 3.89Å; L246-I298 HydrophobicContact CG-CG2 3.79Å; L246-L302 HydrophobicContact CD2-CD1 3.89Å; L246-L302 HydrophobicContact CD2-CD2 3.77Å; L246-L302 HydrophobicContact CD2-CG 3.97Å |
| 247 | N | 90.5 | Very high | 87.6 | Confident | 21 Ų | 21 | 24.4 Ų | 24.4 | 11% | 0.112 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 172.4 | -176.9 | 27.4 | 0 | 0 | 0 | 112.1 | C243 R244 F245 I249 L250 E251 Y318 I322 Y326 | C243-N247 WeakPolarHBondContact O-CB 3.46Å; C243-N247 PolarHBondContact O-N 3.04Å; R244-N247 WeakPolarHBondContact O-CB 3.43Å; R244-N247 PolarHBondContact O-N 3.16Å; F245-N247 VanDerWaalsContact C-N 3.3Å; F245-N247 PolarHBondContact O-N 3.03Å; N247-I249 VanDerWaalsContact C-N 3.32Å; N247-I249 PolarHBondContact O-N 3.43Å; N247-L250 PolarHBondContact O-N 2.97Å; N247-E251 WeakPolarHBondContact O-CB 2.99Å; N247-E251 PolarHBondContact O-N 3.13Å; N247-Y318 HydrophobicContact CB-CE1 4.2Å; N247-Y318 PolarHBondContact ND2-OH 3Å; N247-I322 HydrophobicContact CB-CD1 3.89Å; N247-I322 HydrophobicContact CB-CG1 4.06Å; N247-Y326 PolarHBondContact O-OH 3.02Å; N247-Y326 VanDerWaalsContact OD1-CE2 3.23Å; N247-Y326 WeakPolarHBondContact OD1-CE2 3.3Å; N247-Y326 PolarHBondContact OD1-OH 3.26Å |
| 248 | A | 90.3 | Very high | 87.5 | Confident | 14 Ų | 14 | 20.7 Ų | 20.7 | 12% | 0.116 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A205 V208 R244 F245 E251 S252 | A205-A248 HydrophobicContact CB-CB 3.67Å; V208-A248 HydrophobicContact CG2-CB 4.3Å; R244-A248 PolarHBondContact O-N 3.22Å; F245-A248 WeakPolarHBondContact O-CB 3.32Å; F245-A248 PolarHBondContact O-N 3.38Å; F245-A248 VanDerWaalsContact O-N 3.13Å; A248-E251 PolarHBondContact O-N 3.23Å; A248-S252 PolarHBondContact O-N 2.9Å |
| 249 | I | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.5 | -49 | 172.1 | -65.4 | 170.3 | 0 | 0 | 0 | 110 | V208 V218 F227 F245 L246 N247 E251 S252 L253 | V208-I249 HydrophobicContact CG2-CG1 4.39Å; V218-I249 HydrophobicContact CG1-CD1 4.22Å; F227-I249 HydrophobicContact CE1-CD1 3.86Å; F227-I249 HydrophobicContact CE2-CD1 4.35Å; F227-I249 HydrophobicContact CZ-CD1 3.44Å; F227-I249 VanDerWaalsContact CZ-CD1 3.44Å; F245-I249 HydrophobicContact CD2-CD1 4.3Å; F245-I249 HydrophobicContact CD2-CG1 4.33Å; F245-I249 HydrophobicContact CE1-CD1 4.29Å; F245-I249 HydrophobicContact CE2-CD1 3.91Å; F245-I249 HydrophobicContact CE2-CG1 4.03Å; F245-I249 HydrophobicContact CZ-CD1 3.91Å; F245-I249 WeakPolarHBondContact O-CG1 3.46Å; F245-I249 PolarHBondContact O-N 3.16Å; L246-I249 PolarHBondContact O-N 3.07Å; N247-I249 VanDerWaalsContact C-N 3.32Å; N247-I249 PolarHBondContact O-N 3.43Å; I249-E251 VanDerWaalsContact C-N 3.28Å; I249-E251 PolarHBondContact O-N 3.49Å; I249-S252 PolarHBondContact O-N 3.01Å; I249-S252 VanDerWaalsContact O-N 3.09Å; I249-S252 PolarHBondContact O-OG 3.06Å; I249-L253 HydrophobicContact CG2-CD1 3.89Å; I249-L253 HydrophobicContact CG2-CG 4.25Å; I249-L253 VanDerWaalsContact O-CG 3.29Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 3.24Å |
| 250 | L | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.1 | -42 | 175.8 | -76.1 | 171.1 | 0 | 0 | 0 | 112.2 | L246 N247 L253 T254 V295 I298 L299 L302 I322 Y326 | L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 2.92Å; N247-L250 PolarHBondContact O-N 2.97Å; L250-L253 PolarHBondContact O-N 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 WeakPolarHBondContact O-CG2 3.37Å; L250-T254 PolarHBondContact O-N 2.86Å; L250-T254 PolarHBondContact O-OG1 3.49Å; L250-V295 HydrophobicContact CD2-CB 4.5Å; L250-V295 HydrophobicContact CD2-CG1 4.03Å; L250-V295 HydrophobicContact CD2-CG2 4.34Å; L250-I298 HydrophobicContact CD1-CG2 3.85Å; L250-I298 HydrophobicContact CD2-CB 4.13Å; L250-I298 HydrophobicContact CD2-CD1 4.21Å; L250-I298 HydrophobicContact CD2-CG2 3.78Å; L250-I298 HydrophobicContact CG-CG2 3.93Å; L250-L299 HydrophobicContact CD1-CD2 3.94Å; L250-L299 HydrophobicContact CD2-CD2 4.41Å; L250-L299 HydrophobicContact CD2-CG 4.42Å; L250-L302 HydrophobicContact CD1-CD1 4.39Å; L250-I322 HydrophobicContact CD1-CG2 3.77Å; L250-Y326 HydrophobicContact CB-CE1 4.31Å; L250-Y326 HydrophobicContact CB-CE2 4.06Å; L250-Y326 HydrophobicContact CD1-CD2 4.35Å; L250-Y326 HydrophobicContact CD1-CE2 4.22Å |
| 251 | E | 90.5 | Very high | 86.6 | Confident | 9 Ų | 9 | 26.4 Ų | 26.4 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.6 | -175.9 | 64.9 | -131.5 | 0 | 0 | 111.1 | N247 A248 I249 L253 Q255 L256 K257 R325 Y326 | N247-E251 WeakPolarHBondContact O-CB 2.99Å; N247-E251 PolarHBondContact O-N 3.13Å; A248-E251 PolarHBondContact O-N 3.23Å; I249-E251 VanDerWaalsContact C-N 3.28Å; I249-E251 PolarHBondContact O-N 3.49Å; E251-L253 VanDerWaalsContact C-N 3.3Å; E251-L253 PolarHBondContact O-N 3.24Å; E251-Q255 VanDerWaalsContact O-CA 3.23Å; E251-Q255 WeakPolarHBondContact O-CA 3.38Å; E251-Q255 PolarHBondContact O-N 2.87Å; E251-L256 PolarHBondContact OE1-N 3.31Å; E251-K257 HydrophobicContact CG-CD 4.14Å; E251-K257 VanDerWaalsContact OE1-CB 3.26Å; E251-K257 WeakPolarHBondContact OE1-CB 3.47Å; E251-K257 VanDerWaalsContact OE1-CG 3.25Å; E251-K257 WeakPolarHBondContact OE1-CG 3.43Å; E251-K257 PolarHBondContact OE1-N 3.2Å; E251-R325 IonicContact OE2-CZ 2.72Å; E251-R325 IonicContact OE2-NH2 3.37Å; E251-R325 PolarHBondContact OE2-NH2 2.99Å; E251-Y326 WeakPolarHBondContact CA-OH 3.36Å; E251-Y326 PolarHBondContact N-OH 3.02Å; E251-Y326 PolarHBondContact OE2-OH 3.24Å |
| 252 | S | 87.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 177.6 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | V208 R212 G215 A248 I249 Q255 | V208-S252 WeakPolarHBondContact O-CB 3.38Å; R212-S252 WeakPolarHBondContact CA-O 3.06Å; G215-S252 WeakPolarHBondContact CA-OG 3.25Å; A248-S252 PolarHBondContact O-N 2.9Å; I249-S252 PolarHBondContact O-N 3.01Å; I249-S252 VanDerWaalsContact O-N 3.09Å; I249-S252 PolarHBondContact O-OG 3.06Å; S252-Q255 WeakPolarHBondContact O-CG 3.26Å |
| 253 | L | 88.9 | Confident | 85.5 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76.5 | -44.3 | -178.9 | -65.2 | 177.9 | 0 | 0 | 0 | 111.8 | L216 L219 I249 L250 E251 V291 V295 | L216-L253 HydrophobicContact CB-CD2 4.45Å; L216-L253 HydrophobicContact CD2-CD2 3.65Å; L216-L253 HydrophobicContact CG-CD2 3.56Å; L219-L253 HydrophobicContact CD2-CD1 4.49Å; I249-L253 HydrophobicContact CG2-CD1 3.89Å; I249-L253 HydrophobicContact CG2-CG 4.25Å; I249-L253 VanDerWaalsContact O-CG 3.29Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 3.24Å; L250-L253 PolarHBondContact O-N 3.29Å; E251-L253 VanDerWaalsContact C-N 3.3Å; E251-L253 PolarHBondContact O-N 3.24Å; L253-V291 HydrophobicContact CB-CB 4.33Å; L253-V291 HydrophobicContact CD2-CB 4.34Å; L253-V291 HydrophobicContact CD2-CG1 3.9Å; L253-V295 HydrophobicContact CB-CG2 3.86Å; L253-V295 HydrophobicContact CD1-CG2 3.86Å |
| 254 | T | 87.6 | Confident | 84.7 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -84.7 | -27.8 | -177.2 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | L250 L256 Y285 V295 Y326 I333 | L250-T254 WeakPolarHBondContact O-CB 3.48Å; L250-T254 WeakPolarHBondContact O-CG2 3.37Å; L250-T254 PolarHBondContact O-N 2.86Å; L250-T254 PolarHBondContact O-OG1 3.49Å; T254-L256 PolarHBondContact O-N 2.76Å; T254-L256 VanDerWaalsContact O-N 3.17Å; T254-Y285 WeakPolarHBondContact CA-OH 3.35Å; T254-Y285 WeakPolarHBondContact CB-OH 3.29Å; T254-Y285 WeakPolarHBondContact O-CE2 3.08Å; T254-Y285 PolarHBondContact O-OH 2.76Å; T254-V295 HydrophobicContact CG2-CG1 4.31Å; T254-V295 HydrophobicContact CG2-CG2 4.33Å; T254-Y326 HydrophobicContact CG2-CD1 4.26Å; T254-Y326 HydrophobicContact CG2-CE1 4.31Å; T254-Y326 WeakPolarHBondContact OG1-CE1 3.22Å; T254-I333 HydrophobicContact CG2-CG2 4.03Å |
| 255 | Q | 85.9 | Confident | 83.9 | Confident | 59 Ų | 59 | 34.9 Ų | 34.9 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | trans | 48.4 | 37.6 | -173 | -61.4 | -175.2 | -25.8 | 0 | 0 | 113 | E251 S252 K257 A258 Y259 | E251-Q255 VanDerWaalsContact O-CA 3.23Å; E251-Q255 WeakPolarHBondContact O-CA 3.38Å; E251-Q255 PolarHBondContact O-N 2.87Å; S252-Q255 WeakPolarHBondContact O-CG 3.26Å; Q255-K257 PolarHBondContact O-N 2.67Å; Q255-A258 HydrophobicContact CB-CB 4.32Å; Q255-A258 WeakPolarHBondContact O-CB 3.23Å; Q255-A258 PolarHBondContact O-N 2.97Å; Q255-A258 VanDerWaalsContact O-N 3.13Å; Q255-Y259 PolarHBondContact O-N 2.92Å | ||
| 256 | L | 82.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | -171.3 | -170.2 | 64 | 0 | 0 | 0 | 112.1 | E251 T254 Y259 H260 Y285 Y326 K331 | E251-L256 PolarHBondContact OE1-N 3.31Å; T254-L256 PolarHBondContact O-N 2.76Å; T254-L256 VanDerWaalsContact O-N 3.17Å; L256-Y259 PolarHBondContact O-N 2.6Å; L256-H260 PolarHBondContact O-CD2 3.29Å; L256-H260 PolarHBondContact O-N 3.09Å; L256-Y285 HydrophobicContact CD1-CD2 4.13Å; L256-Y285 HydrophobicContact CD1-CE2 4.08Å; L256-Y326 HydrophobicContact CB-CE1 4.45Å; L256-Y326 HydrophobicContact CD2-CD1 3.81Å; L256-Y326 HydrophobicContact CD2-CE1 3.98Å; L256-K331 WeakPolarHBondContact CD2-O 3.25Å |
| 257 | K | 81.7 | Confident | 81.7 | Confident | 90 Ų | 90 | 38.6 Ų | 38.6 | 39% | 0.391 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 172.3 | -73.4 | 173.4 | -171.1 | -177.4 | 0 | 111.5 | E209 E251 Q255 Y259 H260 S261 | E209-K257 IonicContact OE1-NZ 2.66Å; E209-K257 PolarHBondContact OE1-NZ 3.32Å; E251-K257 HydrophobicContact CG-CD 4.14Å; E251-K257 VanDerWaalsContact OE1-CB 3.26Å; E251-K257 WeakPolarHBondContact OE1-CB 3.47Å; E251-K257 VanDerWaalsContact OE1-CG 3.25Å; E251-K257 WeakPolarHBondContact OE1-CG 3.43Å; E251-K257 PolarHBondContact OE1-N 3.2Å; Q255-K257 PolarHBondContact O-N 2.67Å; K257-Y259 VanDerWaalsContact C-N 3.31Å; K257-Y259 PolarHBondContact O-N 2.7Å; K257-H260 PolarHBondContact O-N 3.2Å; K257-S261 PolarHBondContact O-N 3.28Å; K257-S261 PolarHBondContact O-OG 2.9Å |
| 258 | A | 79.8 | Confident | 80.4 | Confident | 59 Ų | 59 | 41.5 Ų | 41.5 | 49% | 0.488 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -38.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q255 A262 | Q255-A258 HydrophobicContact CB-CB 4.32Å; Q255-A258 WeakPolarHBondContact O-CB 3.23Å; Q255-A258 PolarHBondContact O-N 2.97Å; Q255-A258 VanDerWaalsContact O-N 3.13Å; A258-A262 VanDerWaalsContact O-CB 3.31Å; A258-A262 WeakPolarHBondContact O-CB 3.41Å; A258-A262 PolarHBondContact O-N 3.34Å |
| 259 | Y | 81.2 | Confident | 78.8 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 173.1 | 170.2 | -95.2 | 0 | 0 | 0 | 112.3 | Q255 L256 K257 A262 K263 Y282 P283 Y285 | Q255-Y259 PolarHBondContact O-N 2.92Å; L256-Y259 PolarHBondContact O-N 2.6Å; K257-Y259 VanDerWaalsContact C-N 3.31Å; K257-Y259 PolarHBondContact O-N 2.7Å; Y259-A262 PolarHBondContact O-N 3.2Å; Y259-K263 HydrophobicContact CE1-CD 4.26Å; Y259-K263 WeakPolarHBondContact O-CB 3.45Å; Y259-K263 PolarHBondContact O-N 3.18Å; Y259-Y282 HydrophobicContact CD2-CE1 4.01Å; Y259-Y282 AromaticContact CE2-CD1 3.91Å; Y259-Y282 HydrophobicContact CE2-CD1 3.91Å; Y259-Y282 AromaticContact CE2-CE1 3.5Å; Y259-Y282 HydrophobicContact CE2-CE1 3.5Å; Y259-P283 PolarHBondContact OH-O 3.22Å; Y259-P283 VanDerWaalsContact OH-O 3.1Å; Y259-Y285 AromaticContact CD1-CD2 3.99Å; Y259-Y285 HydrophobicContact CD1-CD2 3.99Å; Y259-Y285 AromaticContact CD2-CD2 3.91Å; Y259-Y285 HydrophobicContact CD2-CD2 3.91Å; Y259-Y285 HydrophobicContact CE1-CD2 4.41Å; Y259-Y285 HydrophobicContact CE2-CD2 4.32Å; Y259-Y285 AromaticContact CG-CD2 3.73Å; Y259-Y285 HydrophobicContact CG-CD2 3.73Å; Y259-Y285 PolarHBondContact OH-N 3.35Å |
| 260 | H | 78.8 | Confident | 76.9 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 20% | 0.199 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 179.4 | -73.4 | -55.7 | 0 | 0 | 0 | 112.1 | L256 K257 A262 K263 E264 K331 | L256-H260 PolarHBondContact O-CD2 3.29Å; L256-H260 PolarHBondContact O-N 3.09Å; K257-H260 PolarHBondContact O-N 3.2Å; H260-A262 VanDerWaalsContact C-N 3.27Å; H260-A262 PolarHBondContact O-N 2.91Å; H260-K263 WeakPolarHBondContact O-CB 3.23Å; H260-K263 PolarHBondContact O-N 2.87Å; H260-K263 VanDerWaalsContact O-N 3.15Å; H260-E264 WeakPolarHBondContact O-CB 3.29Å; H260-E264 WeakPolarHBondContact O-CG 3.43Å; H260-E264 PolarHBondContact O-N 2.93Å; H260-K331 PolarHBondContact CE1-O 3.07Å; H260-K331 PolarHBondContact NE2-O 3.28Å |
| 261 | S | 76.2 | Confident | 75.1 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 51% | 0.51 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 174.7 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | K257 A265 | K257-S261 PolarHBondContact O-N 3.28Å; K257-S261 PolarHBondContact O-OG 2.9Å; S261-A265 VanDerWaalsContact O-CB 3.27Å; S261-A265 WeakPolarHBondContact O-CB 3.38Å; S261-A265 PolarHBondContact O-N 3.45Å |
| 262 | A | 76.5 | Confident | 73.2 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A258 Y259 H260 A266 Y282 | A258-A262 VanDerWaalsContact O-CB 3.31Å; A258-A262 WeakPolarHBondContact O-CB 3.41Å; A258-A262 PolarHBondContact O-N 3.34Å; Y259-A262 PolarHBondContact O-N 3.2Å; H260-A262 VanDerWaalsContact C-N 3.27Å; H260-A262 PolarHBondContact O-N 2.91Å; A262-A266 WeakPolarHBondContact O-CB 3.32Å; A262-A266 PolarHBondContact O-N 3.11Å; A262-Y282 WeakPolarHBondContact CB-OH 3.49Å |
| 263 | K | 76.3 | Confident | 71.2 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 175.7 | -178.2 | -175.1 | 174.5 | -169.4 | 0 | 111.3 | Y259 H260 A266 S267 Y282 | Y259-K263 HydrophobicContact CE1-CD 4.26Å; Y259-K263 WeakPolarHBondContact O-CB 3.45Å; Y259-K263 PolarHBondContact O-N 3.18Å; H260-K263 WeakPolarHBondContact O-CB 3.23Å; H260-K263 PolarHBondContact O-N 2.87Å; H260-K263 VanDerWaalsContact O-N 3.15Å; K263-A266 PolarHBondContact O-N 2.7Å; K263-S267 PolarHBondContact O-N 3.22Å; K263-Y282 HydrophobicContact CB-CD1 4.02Å; K263-Y282 HydrophobicContact CB-CE1 4.09Å; K263-Y282 HydrophobicContact CB-CG 4.34Å; K263-Y282 HydrophobicContact CG-CD1 4Å; K263-Y282 HydrophobicContact CG-CG 4.08Å |
| 264 | E | 73.7 | Confident | 69 | Low | 122 Ų | 122 | 78.6 Ų | 78.6 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 176.2 | -71.7 | 170.5 | -179 | 0 | 0 | 111.4 | H260 A266 S267 V268 | H260-E264 WeakPolarHBondContact O-CB 3.29Å; H260-E264 WeakPolarHBondContact O-CG 3.43Å; H260-E264 PolarHBondContact O-N 2.93Å; E264-A266 PolarHBondContact O-N 2.66Å; E264-S267 PolarHBondContact O-N 2.97Å; E264-S267 PolarHBondContact O-OG 3.42Å; E264-V268 WeakPolarHBondContact O-CG2 2.95Å; E264-V268 PolarHBondContact O-N 2.9Å; E264-V268 VanDerWaalsContact O-N 3.11Å |
| 265 | A | 71.6 | Confident | 66.8 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.2 | -31.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S261 R269 | S261-A265 VanDerWaalsContact O-CB 3.27Å; S261-A265 WeakPolarHBondContact O-CB 3.38Å; S261-A265 PolarHBondContact O-N 3.45Å; A265-R269 WeakPolarHBondContact O-CG 3.26Å; A265-R269 PolarHBondContact O-N 3.15Å |
| 266 | A | 68.5 | Low | 64.6 | Low | 25 Ų | 25 | 95 Ų | 95 | 21% | 0.207 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -77.8 | -31.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A262 K263 E264 K270 Y282 | A262-A266 WeakPolarHBondContact O-CB 3.32Å; A262-A266 PolarHBondContact O-N 3.11Å; K263-A266 PolarHBondContact O-N 2.7Å; E264-A266 PolarHBondContact O-N 2.66Å; A266-K270 PolarHBondContact O-N 3.43Å; A266-Y282 HydrophobicContact CB-CD2 3.77Å; A266-Y282 HydrophobicContact CB-CE2 3.79Å |
| 267 | S | 66.2 | Low | 62.5 | Low | 58 Ų | 58 | 100.7 Ų | 100.7 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | K263 E264 R269 K270 E271 | K263-S267 PolarHBondContact O-N 3.22Å; E264-S267 PolarHBondContact O-N 2.97Å; E264-S267 PolarHBondContact O-OG 3.42Å; S267-R269 VanDerWaalsContact C-N 3.29Å; S267-R269 PolarHBondContact O-N 2.77Å; S267-K270 WeakPolarHBondContact O-CB 3.44Å; S267-K270 PolarHBondContact O-N 3.1Å; S267-E271 PolarHBondContact O-N 3.46Å |
| 268 | V | 64.7 | Low | 60.6 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | E264 | E264-V268 WeakPolarHBondContact O-CG2 2.95Å; E264-V268 PolarHBondContact O-N 2.9Å; E264-V268 VanDerWaalsContact O-N 3.11Å |
| 269 | R | 55.5 | Low | 58.8 | Low | 183 Ų | 183 | 103.4 Ų | 103.4 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -34.7 | 175 | -75.2 | -179.1 | -174.5 | -165.2 | 1.5 | 113.3 | A265 S267 I272 E273 | A265-R269 WeakPolarHBondContact O-CG 3.26Å; A265-R269 PolarHBondContact O-N 3.15Å; S267-R269 VanDerWaalsContact C-N 3.29Å; S267-R269 PolarHBondContact O-N 2.77Å; R269-I272 PolarHBondContact O-N 2.77Å; R269-E273 PolarHBondContact O-N 2.92Å |
| 270 | K | 51.7 | Low | 56.8 | Low | 76 Ų | 76 | 105.9 Ų | 105.9 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.2 | -38.9 | 178.4 | -78 | 176.6 | -176.7 | 163.3 | 0 | 112 | A266 S267 I272 E273 S274 C280 | A266-K270 PolarHBondContact O-N 3.43Å; S267-K270 WeakPolarHBondContact O-CB 3.44Å; S267-K270 PolarHBondContact O-N 3.1Å; K270-I272 PolarHBondContact O-N 3.31Å; K270-I272 VanDerWaalsContact O-N 3.17Å; K270-E273 PolarHBondContact O-N 3.41Å; K270-E273 VanDerWaalsContact O-N 3.07Å; K270-S274 PolarHBondContact O-N 3.33Å; K270-S274 PolarHBondContact O-OG 3.39Å; K270-C280 PolarHBondContact NZ-O 2.85Å |
| 271 | E | 50.5 | Low | 55.8 | Low | 162 Ų | 162 | 109 Ų | 109 | 76% | 0.757 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -57.8 | -29.3 | 174.5 | -74.8 | 172.8 | 174.5 | 0 | 0 | 112.1 | S267 | S267-E271 PolarHBondContact O-N 3.46Å |
| 272 | I | 51.1 | Low | 55.2 | Low | 140 Ų | 140 | 109.2 Ų | 109.2 | 72% | 0.718 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.7 | -32.2 | 177.1 | -59.7 | 169.4 | 0 | 0 | 0 | 112.4 | R269 K270 | R269-I272 PolarHBondContact O-N 2.77Å; K270-I272 PolarHBondContact O-N 3.31Å; K270-I272 VanDerWaalsContact O-N 3.17Å |
| 273 | E | 45.4 | Very low | 54.7 | Low | 172 Ų | 172 | 111.7 Ų | 111.7 | 80% | 0.804 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -106.9 | -24.8 | -170.5 | -74.2 | -177.8 | 166.9 | 0 | 0 | 115.5 | R269 K270 K275 | R269-E273 PolarHBondContact O-N 2.92Å; K270-E273 PolarHBondContact O-N 3.41Å; K270-E273 VanDerWaalsContact O-N 3.07Å; E273-K275 PolarHBondContact O-N 3.2Å |
| 274 | S | 42.5 | Very low | 54.5 | Low | 71 Ų | 71 | 116.7 Ų | 116.7 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | trans | -95.8 | 78.7 | -170.8 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | K270 | K270-S274 PolarHBondContact O-N 3.33Å; K270-S274 PolarHBondContact O-OG 3.39Å | ||
| 275 | K | 42.4 | Very low | 54.9 | Low | 210 Ų | 210 | 113 Ų | 113 | 91% | 0.913 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -93.5 | 1.5 | 152.4 | -99.5 | -174.7 | -179.7 | 179 | 0 | 114.2 | E273 | E273-K275 PolarHBondContact O-N 3.2Š|
| 276 | K | 39 | Very low | 55.2 | Low | 202 Ų | 202 | 119.5 Ų | 119.5 | 88% | 0.878 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -147 | 9.2 | -176.6 | -76.7 | -163.5 | 177 | 178.2 | 0 | 120.5 | ||
| 277 | V | 39.4 | Very low | 55.8 | Low | 121 Ų | 121 | 119.2 Ų | 119.2 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -140.8 | 137.9 | 177.2 | -170.7 | 0 | 0 | 0 | 0 | 112 | ||
| 278 | A | 41.3 | Very low | 56.5 | Low | 78 Ų | 78 | 119.2 Ų | 119.2 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | trans | -49.9 | 144.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C280 | A278-C280 PolarHBondContact O-N 3.29Š| ||
| 279 | P | 41.8 | Very low | 57.4 | Low | 127 Ų | 127 | 119.9 Ų | 119.9 | 83% | 0.825 | 62% | 0.62 | S | S | * | * | trans | -65.7 | 103.8 | -170.3 | 24.2 | -32.5 | 0 | 0 | 0 | 111.6 | S281 | P279-S281 PolarHBondContact O-N 3.25Š| ||
| 280 | C | 40.1 | Very low | 58.7 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 66% | 0.655 | 61% | 0.614 | S | S | * | * | trans | -66.7 | 114.8 | 164.1 | -70.7 | 0 | 0 | 0 | 0 | 107.7 | K270 A278 | K270-C280 PolarHBondContact NZ-O 2.85Å; A278-C280 PolarHBondContact O-N 3.29Å | ||
| 281 | S | 57.3 | Low | 60.3 | Low | 109 Ų | 109 | 111.9 Ų | 111.9 | 76% | 0.762 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 141.3 | 175.3 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | P279 | P279-S281 PolarHBondContact O-N 3.25Š|
| 282 | Y | 64.1 | Low | 62 | Low | 77 Ų | 77 | 107 Ų | 107 | 30% | 0.302 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 138.3 | 170.9 | -166.4 | -94.7 | 0 | 0 | 0 | 108.2 | Y259 A262 K263 A266 K284 | Y259-Y282 HydrophobicContact CD2-CE1 4.01Å; Y259-Y282 AromaticContact CE2-CD1 3.91Å; Y259-Y282 HydrophobicContact CE2-CD1 3.91Å; Y259-Y282 AromaticContact CE2-CE1 3.5Å; Y259-Y282 HydrophobicContact CE2-CE1 3.5Å; A262-Y282 WeakPolarHBondContact CB-OH 3.49Å; K263-Y282 HydrophobicContact CB-CD1 4.02Å; K263-Y282 HydrophobicContact CB-CE1 4.09Å; K263-Y282 HydrophobicContact CB-CG 4.34Å; K263-Y282 HydrophobicContact CG-CD1 4Å; K263-Y282 HydrophobicContact CG-CG 4.08Å; A266-Y282 HydrophobicContact CB-CD2 3.77Å; A266-Y282 HydrophobicContact CB-CE2 3.79Å; Y282-K284 PolarHBondContact O-N 2.84Å |
| 283 | P | 66.5 | Low | 63.7 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 133.2 | -177.4 | 20.8 | -33 | 0 | 0 | 0 | 110.5 | Y259 Y285 | Y259-P283 PolarHBondContact OH-O 3.22Å; Y259-P283 VanDerWaalsContact OH-O 3.1Å; P283-Y285 PolarHBondContact O-N 3.37Å |
| 284 | K | 72.2 | Confident | 65.7 | Low | 193 Ų | 193 | 100.3 Ų | 100.3 | 84% | 0.839 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 140.4 | 176.1 | -69 | -173.9 | 177.3 | -174.8 | 0 | 109.4 | Y282 K286 | Y282-K284 PolarHBondContact O-N 2.84Å; K284-K286 PolarHBondContact O-N 2.91Å |
| 285 | Y | 81 | Confident | 68 | Low | 44 Ų | 44 | 97 Ų | 97 | 17% | 0.173 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 129.4 | 176 | 177.3 | -89.5 | 0 | 0 | 0 | 109.8 | T254 L256 Y259 P283 I287 I333 | T254-Y285 WeakPolarHBondContact CA-OH 3.35Å; T254-Y285 WeakPolarHBondContact CB-OH 3.29Å; T254-Y285 WeakPolarHBondContact O-CE2 3.08Å; T254-Y285 PolarHBondContact O-OH 2.76Å; L256-Y285 HydrophobicContact CD1-CD2 4.13Å; L256-Y285 HydrophobicContact CD1-CE2 4.08Å; Y259-Y285 AromaticContact CD1-CD2 3.99Å; Y259-Y285 HydrophobicContact CD1-CD2 3.99Å; Y259-Y285 AromaticContact CD2-CD2 3.91Å; Y259-Y285 HydrophobicContact CD2-CD2 3.91Å; Y259-Y285 HydrophobicContact CE1-CD2 4.41Å; Y259-Y285 HydrophobicContact CE2-CD2 4.32Å; Y259-Y285 AromaticContact CG-CD2 3.73Å; Y259-Y285 HydrophobicContact CG-CD2 3.73Å; Y259-Y285 PolarHBondContact OH-N 3.35Å; P283-Y285 PolarHBondContact O-N 3.37Å; Y285-I287 HydrophobicContact CE1-CB 4.04Å; Y285-I333 HydrophobicContact CD1-CB 4.12Å; Y285-I333 HydrophobicContact CD1-CG2 4.23Å; Y285-I333 HydrophobicContact CE1-CB 3.65Å; Y285-I333 HydrophobicContact CE1-CG2 3.45Å; Y285-I333 VanDerWaalsContact CE1-CG2 3.45Å |
| 286 | K | 77.4 | Confident | 70.1 | Confident | 190 Ų | 190 | 90.9 Ų | 90.9 | 83% | 0.826 | 49% | 0.493 | S | S | * | . | trans | -130.2 | 117.6 | 175.9 | -170.7 | 178 | -179.3 | -178.3 | 0 | 108.1 | K284 | K284-K286 PolarHBondContact O-N 2.91Š| ||
| 287 | I | 82.4 | Confident | 72.3 | Confident | 19 Ų | 19 | 86 Ų | 86 | 10% | 0.097 | 47% | 0.473 | C | S | . | . | trans | -65.2 | 142.6 | 175.8 | -165.7 | 163.7 | 0 | 0 | 0 | 110.1 | Y285 V291 E292 V295 W335 | Y285-I287 HydrophobicContact CE1-CB 4.04Å; I287-V291 HydrophobicContact CD1-CG2 4.25Å; I287-V291 HydrophobicContact CG1-CG2 3.84Å; I287-E292 HydrophobicContact CG2-CB 4.2Å; I287-E292 HydrophobicContact CG2-CG 4.29Å; I287-V295 HydrophobicContact CD1-CB 4.12Å; I287-V295 HydrophobicContact CD1-CG1 4.09Å; I287-V295 HydrophobicContact CD1-CG2 4.19Å; I287-W335 HydrophobicContact CD1-CH2 4.16Å; I287-W335 HydrophobicContact CD1-CZ2 3.88Å; I287-W335 HydrophobicContact CG2-CZ2 4.16Å | ||
| 288 | D | 80.9 | Confident | 74.7 | Confident | 59 Ų | 59 | 81 Ų | 81 | 32% | 0.316 | 44% | 0.442 | S | S | . | . | trans | -68.8 | 130 | 174.3 | -175.9 | -22 | 0 | 0 | 0 | 109.8 | R212 T290 V291 E292 | R212-D288 IonicContact NH1-OD2 3.31Å; R212-D288 PolarHBondContact NH1-OD2 2.98Å; D288-T290 PolarHBondContact O-N 3.19Å; D288-T290 PolarHBondContact OD1-N 2.9Å; D288-T290 PolarHBondContact OD1-OG1 3.46Å; D288-T290 PolarHBondContact OD2-OG1 3.48Å; D288-V291 HydrophobicContact CB-CG2 4.1Å; D288-V291 WeakPolarHBondContact O-CG2 3.39Å; D288-V291 PolarHBondContact O-N 3.47Å; D288-V291 VanDerWaalsContact O-N 3.1Å; D288-E292 PolarHBondContact O-N 3.42Å; D288-E292 VanDerWaalsContact O-N 3.13Å | ||
| 289 | S | 83 | Confident | 77 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 68% | 0.678 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -55.7 | -25.1 | -179.4 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 290 | T | 83 | Confident | 79.1 | Confident | 91 Ų | 91 | 72 Ų | 72 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -72 | -32 | 180 | 56.4 | 0 | 0 | 0 | 0 | 113 | D288 | D288-T290 PolarHBondContact O-N 3.19Å; D288-T290 PolarHBondContact OD1-N 2.9Å; D288-T290 PolarHBondContact OD1-OG1 3.46Å; D288-T290 PolarHBondContact OD2-OG1 3.48Å |
| 291 | V | 85.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -103.6 | -11.8 | -177.1 | -58 | 0 | 0 | 0 | 0 | 113.2 | R212 L216 L253 I287 D288 K293 P294 V295 | R212-V291 HydrophobicContact CG-CG1 4.24Å; L216-V291 HydrophobicContact CD1-CG1 3.99Å; L216-V291 HydrophobicContact CD2-CG1 4.17Å; L216-V291 HydrophobicContact CG-CG1 4.21Å; L253-V291 HydrophobicContact CB-CB 4.33Å; L253-V291 HydrophobicContact CD2-CB 4.34Å; L253-V291 HydrophobicContact CD2-CG1 3.9Å; I287-V291 HydrophobicContact CD1-CG2 4.25Å; I287-V291 HydrophobicContact CG1-CG2 3.84Å; D288-V291 HydrophobicContact CB-CG2 4.1Å; D288-V291 WeakPolarHBondContact O-CG2 3.39Å; D288-V291 PolarHBondContact O-N 3.47Å; D288-V291 VanDerWaalsContact O-N 3.1Å; V291-K293 PolarHBondContact O-N 3.09Å; V291-P294 VanDerWaalsContact O-CD 3.28Å; V291-P294 WeakPolarHBondContact O-CD 3.3Å; V291-V295 VanDerWaalsContact O-CG2 3.28Å; V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.26Å |
| 292 | E | 87 | Confident | 82.9 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.6 | -50.2 | -177.5 | 175 | 162.7 | -156.8 | 0 | 0 | 112.4 | I287 D288 V295 E296 W335 K338 | I287-E292 HydrophobicContact CG2-CB 4.2Å; I287-E292 HydrophobicContact CG2-CG 4.29Å; D288-E292 PolarHBondContact O-N 3.42Å; D288-E292 VanDerWaalsContact O-N 3.13Å; E292-V295 PolarHBondContact O-N 3.03Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.32Å; E292-W335 HydrophobicContact CG-CH2 4.3Å; E292-W335 HydrophobicContact CG-CZ2 3.9Å; E292-W335 WeakPolarHBondContact O-CH2 3.49Å; E292-K338 IonicContact OE1-NZ 2.87Å; E292-K338 PolarHBondContact OE1-NZ 3.01Å |
| 293 | K | 86.8 | Confident | 84 | Confident | 143 Ų | 143 | 61 Ų | 61 | 62% | 0.622 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.1 | -50.3 | -178.7 | 178.9 | -179.1 | -179.8 | -175.6 | 0 | 113.3 | V291 V295 E296 E297 | V291-K293 PolarHBondContact O-N 3.09Å; K293-V295 VanDerWaalsContact C-N 3.3Å; K293-V295 PolarHBondContact O-N 3.08Å; K293-E296 PolarHBondContact O-N 2.89Å; K293-E297 WeakPolarHBondContact CE-OE1 3.39Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 3.3Å |
| 294 | P | 87.6 | Confident | 85 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.4 | -40.9 | 173.3 | -27.8 | 32.1 | 0 | 0 | 0 | 114.3 | L216 L219 V291 E297 I298 | L216-P294 HydrophobicContact CD2-CG 4.21Å; L219-P294 HydrophobicContact CD2-CB 3.82Å; V291-P294 VanDerWaalsContact O-CD 3.28Å; V291-P294 WeakPolarHBondContact O-CD 3.3Å; P294-E297 PolarHBondContact O-N 2.98Å; P294-I298 VanDerWaalsContact O-CG1 3.26Å; P294-I298 WeakPolarHBondContact O-CG1 3.4Å; P294-I298 PolarHBondContact O-N 2.99Å; P294-I298 VanDerWaalsContact O-N 3.07Å |
| 295 | V | 89 | Confident | 85.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 179 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L250 L253 T254 I287 V291 E292 K293 I298 L299 I333 W335 | L250-V295 HydrophobicContact CD2-CB 4.5Å; L250-V295 HydrophobicContact CD2-CG1 4.03Å; L250-V295 HydrophobicContact CD2-CG2 4.34Å; L253-V295 HydrophobicContact CB-CG2 3.86Å; L253-V295 HydrophobicContact CD1-CG2 3.86Å; T254-V295 HydrophobicContact CG2-CG1 4.31Å; T254-V295 HydrophobicContact CG2-CG2 4.33Å; I287-V295 HydrophobicContact CD1-CB 4.12Å; I287-V295 HydrophobicContact CD1-CG1 4.09Å; I287-V295 HydrophobicContact CD1-CG2 4.19Å; V291-V295 VanDerWaalsContact O-CG2 3.28Å; V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.26Å; E292-V295 PolarHBondContact O-N 3.03Å; K293-V295 VanDerWaalsContact C-N 3.3Å; K293-V295 PolarHBondContact O-N 3.08Å; V295-I298 PolarHBondContact O-N 3.13Å; V295-L299 HydrophobicContact CG1-CD1 3.92Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.35Å; V295-L299 WeakPolarHBondContact O-CG 3.5Å; V295-L299 PolarHBondContact O-N 3.42Å; V295-I333 HydrophobicContact CG1-CD1 4.07Å; V295-W335 HydrophobicContact CB-CH2 4.04Å; V295-W335 HydrophobicContact CB-CZ3 4.4Å; V295-W335 HydrophobicContact CG1-CH2 3.77Å; V295-W335 HydrophobicContact CG1-CZ3 3.81Å |
| 296 | E | 87.4 | Confident | 86 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 175 | -172.1 | 175.7 | 165.7 | 0 | 0 | 112.5 | E292 K293 I298 T300 W335 | E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.32Å; K293-E296 PolarHBondContact O-N 2.89Å; E296-I298 VanDerWaalsContact C-N 3.35Å; E296-I298 PolarHBondContact O-N 3.47Å; E296-T300 WeakPolarHBondContact O-CB 3.49Å; E296-T300 PolarHBondContact O-N 3.27Å; E296-T300 PolarHBondContact O-OG1 3.43Å; E296-W335 VanDerWaalsContact CA-CZ3 3.5Å; E296-W335 HydrophobicContact CB-CH2 3.88Å; E296-W335 HydrophobicContact CB-CZ3 3.78Å; E296-W335 HydrophobicContact CG-CZ3 4.36Å |
| 297 | E | 85.8 | Confident | 86.5 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.9 | -72 | 175.1 | -172.5 | 0 | 0 | 111.6 | K293 P294 S301 | K293-E297 WeakPolarHBondContact CE-OE1 3.39Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 3.3Å; P294-E297 PolarHBondContact O-N 2.98Å; E297-S301 WeakPolarHBondContact O-CB 3.5Å; E297-S301 PolarHBondContact O-N 2.89Å |
| 298 | I | 88.6 | Confident | 86.7 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -54 | 178 | -69.2 | 167.1 | 0 | 0 | 0 | 111 | L219 L246 L250 P294 V295 E296 T300 S301 L302 | L219-I298 HydrophobicContact CD1-CD1 4.21Å; L219-I298 HydrophobicContact CD2-CD1 3.97Å; L246-I298 HydrophobicContact CD1-CD1 4Å; L246-I298 HydrophobicContact CD1-CG1 4.12Å; L246-I298 HydrophobicContact CD1-CG2 3.75Å; L246-I298 HydrophobicContact CD2-CG2 3.89Å; L246-I298 HydrophobicContact CG-CG2 3.79Å; L250-I298 HydrophobicContact CD1-CG2 3.85Å; L250-I298 HydrophobicContact CD2-CB 4.13Å; L250-I298 HydrophobicContact CD2-CD1 4.21Å; L250-I298 HydrophobicContact CD2-CG2 3.78Å; L250-I298 HydrophobicContact CG-CG2 3.93Å; P294-I298 VanDerWaalsContact O-CG1 3.26Å; P294-I298 WeakPolarHBondContact O-CG1 3.4Å; P294-I298 PolarHBondContact O-N 2.99Å; P294-I298 VanDerWaalsContact O-N 3.07Å; V295-I298 PolarHBondContact O-N 3.13Å; E296-I298 VanDerWaalsContact C-N 3.35Å; E296-I298 PolarHBondContact O-N 3.47Å; I298-T300 VanDerWaalsContact C-N 3.35Å; I298-T300 PolarHBondContact O-N 3.35Å; I298-S301 PolarHBondContact O-N 3.05Å; I298-L302 HydrophobicContact CG2-CD1 4.08Å; I298-L302 HydrophobicContact CG2-CG 4.41Å; I298-L302 WeakPolarHBondContact O-CB 3.35Å; I298-L302 WeakPolarHBondContact O-CG 3.47Å; I298-L302 PolarHBondContact O-N 3.3Å |
| 299 | L | 89.2 | Confident | 86.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | -176 | -69.9 | 179.1 | 0 | 0 | 0 | 111.5 | L250 V295 L302 L303 I322 L323 I333 W335 | L250-L299 HydrophobicContact CD1-CD2 3.94Å; L250-L299 HydrophobicContact CD2-CD2 4.41Å; L250-L299 HydrophobicContact CD2-CG 4.42Å; V295-L299 HydrophobicContact CG1-CD1 3.92Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.35Å; V295-L299 WeakPolarHBondContact O-CG 3.5Å; V295-L299 PolarHBondContact O-N 3.42Å; L299-L302 PolarHBondContact O-N 3.44Å; L299-L303 VanDerWaalsContact O-CB 3.24Å; L299-L303 WeakPolarHBondContact O-CB 3.23Å; L299-L303 PolarHBondContact O-N 2.74Å; L299-I322 HydrophobicContact CD2-CG2 4.32Å; L299-L323 HydrophobicContact CD2-CD2 4.47Å; L299-I333 HydrophobicContact CD1-CD1 3.73Å; L299-W335 HydrophobicContact CD1-CE3 3.94Å; L299-W335 HydrophobicContact CD1-CZ3 3.96Å |
| 300 | T | 87.6 | Confident | 86.6 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | E296 I298 L302 L303 R304 I342 | E296-T300 WeakPolarHBondContact O-CB 3.49Å; E296-T300 PolarHBondContact O-N 3.27Å; E296-T300 PolarHBondContact O-OG1 3.43Å; I298-T300 VanDerWaalsContact C-N 3.35Å; I298-T300 PolarHBondContact O-N 3.35Å; T300-L302 VanDerWaalsContact C-N 3.34Å; T300-L303 PolarHBondContact O-N 2.97Å; T300-R304 VanDerWaalsContact CG2-CZ 3.44Å; T300-R304 WeakPolarHBondContact O-CB 3.17Å; T300-R304 WeakPolarHBondContact O-CG 3.35Å; T300-R304 PolarHBondContact O-N 2.87Å; T300-I342 HydrophobicContact CG2-CD1 4.02Å |
| 301 | S | 86.1 | Confident | 86.7 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.7 | -177 | 0 | 0 | 0 | 0 | 112.1 | E297 I298 S305 | E297-S301 WeakPolarHBondContact O-CB 3.5Å; E297-S301 PolarHBondContact O-N 2.89Å; I298-S301 PolarHBondContact O-N 3.05Å; S301-S305 WeakPolarHBondContact O-CB 3.23Å; S301-S305 PolarHBondContact O-N 2.91Å |
| 302 | L | 89.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 176.6 | -78.2 | -177.2 | 0 | 0 | 0 | 111 | I231 L246 L250 I298 L299 T300 R304 S305 V306 I319 I322 | I231-L302 HydrophobicContact CD1-CD2 3.74Å; L246-L302 HydrophobicContact CD2-CD1 3.89Å; L246-L302 HydrophobicContact CD2-CD2 3.77Å; L246-L302 HydrophobicContact CD2-CG 3.97Å; L250-L302 HydrophobicContact CD1-CD1 4.39Å; I298-L302 HydrophobicContact CG2-CD1 4.08Å; I298-L302 HydrophobicContact CG2-CG 4.41Å; I298-L302 WeakPolarHBondContact O-CB 3.35Å; I298-L302 WeakPolarHBondContact O-CG 3.47Å; I298-L302 PolarHBondContact O-N 3.3Å; L299-L302 PolarHBondContact O-N 3.44Å; T300-L302 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.42Å; L302-S305 WeakPolarHBondContact O-CB 3.27Å; L302-S305 PolarHBondContact O-N 3.47Å; L302-S305 PolarHBondContact O-OG 3.24Å; L302-V306 WeakPolarHBondContact O-CG2 3.25Å; L302-V306 PolarHBondContact O-N 3.41Å; L302-I319 HydrophobicContact CB-CG2 3.95Å; L302-I319 HydrophobicContact CD2-CD1 3.92Å; L302-I319 HydrophobicContact CD2-CG1 3.96Å; L302-I319 HydrophobicContact CD2-CG2 4.23Å; L302-I322 HydrophobicContact CD1-CD1 4.32Å; L302-I322 HydrophobicContact CD1-CG2 4.02Å |
| 303 | L | 88 | Confident | 86.2 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 179.8 | -172.3 | 64.3 | 0 | 0 | 0 | 112.4 | L299 T300 S305 V306 L323 I339 V345 L349 | L299-L303 VanDerWaalsContact O-CB 3.24Å; L299-L303 WeakPolarHBondContact O-CB 3.23Å; L299-L303 PolarHBondContact O-N 2.74Å; T300-L303 PolarHBondContact O-N 2.97Å; L303-S305 PolarHBondContact O-N 2.92Å; L303-V306 WeakPolarHBondContact O-CB 3.43Å; L303-V306 WeakPolarHBondContact O-CG2 3.38Å; L303-V306 PolarHBondContact O-N 3.01Å; L303-L323 HydrophobicContact CB-CD2 4.3Å; L303-L323 HydrophobicContact CD1-CD1 3.62Å; L303-L323 HydrophobicContact CD1-CD2 4.22Å; L303-I339 HydrophobicContact CD2-CG1 4.45Å; L303-I339 HydrophobicContact CD2-CG2 3.45Å; L303-I339 VanDerWaalsContact CD2-CG2 3.45Å; L303-V345 HydrophobicContact CD1-CG1 4.04Å; L303-V345 HydrophobicContact CD2-CB 4.16Å; L303-V345 HydrophobicContact CD2-CG1 3.52Å; L303-V345 HydrophobicContact CD2-CG2 3.48Å; L303-V345 VanDerWaalsContact CD2-CG2 3.48Å; L303-V345 HydrophobicContact CG-CG1 3.96Å; L303-V345 HydrophobicContact CG-CG2 4.06Å; L303-L349 HydrophobicContact CD1-CD2 4.41Å |
| 304 | R | 86.4 | Confident | 85.9 | Confident | 162 Ų | 162 | 53.3 Ų | 53.3 | 61% | 0.611 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.4 | 174.9 | -70.5 | 178.6 | 179.1 | 150.4 | 1.9 | 113.9 | T300 L302 N307 | T300-R304 VanDerWaalsContact CG2-CZ 3.44Å; T300-R304 WeakPolarHBondContact O-CB 3.17Å; T300-R304 WeakPolarHBondContact O-CG 3.35Å; T300-R304 PolarHBondContact O-N 2.87Å; L302-R304 PolarHBondContact O-N 3.42Å; R304-N307 PolarHBondContact O-OD1 3Å |
| 305 | S | 87.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -15.8 | 177.9 | 76.5 | 0 | 0 | 0 | 0 | 113.5 | S301 L302 L303 N307 S308 | S301-S305 WeakPolarHBondContact O-CB 3.23Å; S301-S305 PolarHBondContact O-N 2.91Å; L302-S305 WeakPolarHBondContact O-CB 3.27Å; L302-S305 PolarHBondContact O-N 3.47Å; L302-S305 PolarHBondContact O-OG 3.24Å; L303-S305 PolarHBondContact O-N 2.92Å; S305-N307 PolarHBondContact O-N 2.86Å; S305-S308 VanDerWaalsContact O-CB 3.22Å; S305-S308 WeakPolarHBondContact O-CB 3.42Å; S305-S308 PolarHBondContact O-N 3.48Å; S305-S308 VanDerWaalsContact O-N 3.08Å |
| 306 | V | 88.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -41.8 | -171.5 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | L302 L303 S308 R316 I319 L320 L323 L349 V352 | L302-V306 WeakPolarHBondContact O-CG2 3.25Å; L302-V306 PolarHBondContact O-N 3.41Å; L303-V306 WeakPolarHBondContact O-CB 3.43Å; L303-V306 WeakPolarHBondContact O-CG2 3.38Å; L303-V306 PolarHBondContact O-N 3.01Å; V306-S308 VanDerWaalsContact C-N 3.25Å; V306-S308 PolarHBondContact O-N 3.33Å; V306-R316 HydrophobicContact CG1-CG 3.89Å; V306-R316 VanDerWaalsContact O-CD 3.31Å; V306-R316 WeakPolarHBondContact O-CD 3.39Å; V306-R316 PolarHBondContact O-NE 3.43Å; V306-I319 HydrophobicContact CG2-CG2 3.72Å; V306-L320 HydrophobicContact CG1-CD2 3.75Å; V306-L320 HydrophobicContact CG1-CG 4.11Å; V306-L320 HydrophobicContact CG2-CD2 4.47Å; V306-L323 HydrophobicContact CG2-CD1 3.94Å; V306-L349 HydrophobicContact CG1-CD2 4.5Å; V306-V352 HydrophobicContact CG1-CG2 3.71Å |
| 307 | N | 87.1 | Confident | 85.6 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 10.1 | 178.5 | 71.7 | -20.3 | 0 | 0 | 0 | 114 | R304 S305 Y309 S348 E351 V352 L395 | R304-N307 PolarHBondContact O-OD1 3Å; S305-N307 PolarHBondContact O-N 2.86Å; N307-Y309 PolarHBondContact O-N 3.46Å; N307-S348 PolarHBondContact ND2-OG 3.07Å; N307-E351 WeakPolarHBondContact CB-OE2 3.34Å; N307-E351 PolarHBondContact ND2-OE2 3.45Å; N307-V352 HydrophobicContact CB-CG2 4.3Å; N307-L395 VanDerWaalsContact C-CD1 3.47Å; N307-L395 WeakPolarHBondContact O-CD1 3.48Å |
| 308 | S | 86.2 | Confident | 85.6 | Confident | 30 Ų | 30 | 46 Ų | 46 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | trans | -74.4 | 129.8 | 177.3 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | S305 V306 R310 L311 R316 | S305-S308 VanDerWaalsContact O-CB 3.22Å; S305-S308 WeakPolarHBondContact O-CB 3.42Å; S305-S308 PolarHBondContact O-N 3.48Å; S305-S308 VanDerWaalsContact O-N 3.08Å; V306-S308 VanDerWaalsContact C-N 3.25Å; V306-S308 PolarHBondContact O-N 3.33Å; S308-R310 PolarHBondContact O-N 3.23Å; S308-R310 PolarHBondContact OG-N 3.47Å; S308-L311 WeakPolarHBondContact O-CB 3.43Å; S308-L311 PolarHBondContact O-N 3.05Å; S308-R316 PolarHBondContact O-NH2 2.87Å | ||
| 309 | Y | 81.6 | Confident | 85.6 | Confident | 145 Ų | 145 | 45.2 Ų | 45.2 | 57% | 0.569 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.3 | 173.2 | -59.9 | -85.8 | 0 | 0 | 0 | 114 | N307 L311 I393 L395 | N307-Y309 PolarHBondContact O-N 3.46Å; Y309-L311 VanDerWaalsContact C-N 3.3Å; Y309-I393 HydrophobicContact CD1-CG2 3.76Å; Y309-I393 HydrophobicContact CE1-CG2 4.36Å; Y309-I393 VanDerWaalsContact CE1-O 3.25Å; Y309-I393 WeakPolarHBondContact CE1-O 3.28Å; Y309-I393 HydrophobicContact CG-CG2 3.97Å; Y309-L395 HydrophobicContact CD1-CB 4.28Å; Y309-L395 HydrophobicContact CD1-CD1 4.33Å; Y309-L395 HydrophobicContact CE1-CB 4.21Å; Y309-L395 HydrophobicContact CE1-CD1 4.43Å |
| 310 | R | 81.7 | Confident | 85.6 | Confident | 210 Ų | 210 | 45.1 Ų | 45.1 | 79% | 0.792 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.1 | 179.4 | -66.1 | -177.3 | -180 | 177.3 | 1.9 | 113 | F232 S308 | F232-R310 HydrophobicContact CD1-CB 4.07Å; S308-R310 PolarHBondContact O-N 3.23Å; S308-R310 PolarHBondContact OG-N 3.47Å |
| 311 | L | 83.9 | Confident | 85.5 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -79.7 | 130.9 | -174.9 | -168.2 | 67.9 | 0 | 0 | 0 | 110.8 | I231 F232 S308 Y309 T315 R316 I319 | I231-L311 HydrophobicContact CG2-CD1 3.53Å; F232-L311 HydrophobicContact CD1-CD1 4.49Å; F232-L311 HydrophobicContact CE1-CD1 4.48Å; S308-L311 WeakPolarHBondContact O-CB 3.43Å; S308-L311 PolarHBondContact O-N 3.05Å; Y309-L311 VanDerWaalsContact C-N 3.3Å; L311-T315 HydrophobicContact CD1-CG2 3.68Å; L311-T315 HydrophobicContact CG-CG2 4.46Å; L311-R316 HydrophobicContact CD2-CB 3.63Å; L311-R316 HydrophobicContact CD2-CG 3.98Å; L311-R316 HydrophobicContact CG-CB 4.25Å; L311-R316 PolarHBondContact O-NH2 3.22Å; L311-I319 HydrophobicContact CD1-CD1 4.22Å; L311-I319 HydrophobicContact CD2-CD1 3.97Å |
| 312 | C | 82.1 | Confident | 85.6 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | trans | -71.9 | 146.6 | 177.2 | 75.9 | 0 | 0 | 0 | 0 | 111.3 | P236 K314 T315 R316 | P236-C312 HydrophobicContact CB-CB 4.37Å; C312-K314 PolarHBondContact O-N 3.2Å; C312-T315 PolarHBondContact O-N 3.41Å; C312-T315 WeakPolarHBondContact SG-CB 3.39Å; C312-T315 PolarHBondContact SG-OG1 3.02Å; C312-R316 PolarHBondContact O-N 2.84Å | ||
| 313 | P | 80 | Confident | 85.6 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 29% | 0.286 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52.2 | -49 | -172.9 | -20.9 | 22.1 | 0 | 0 | 0 | 113.8 | T315 R316 D317 A396 T398 | P313-T315 VanDerWaalsContact C-N 3.31Å; P313-T315 PolarHBondContact O-N 3.24Å; P313-R316 WeakPolarHBondContact O-CB 3.35Å; P313-R316 PolarHBondContact O-N 3.46Å; P313-R316 VanDerWaalsContact O-N 3.11Å; P313-D317 PolarHBondContact O-N 2.96Å; P313-A396 WeakPolarHBondContact CA-O 3.34Å; P313-A396 VanDerWaalsContact CB-O 3.29Å; P313-A396 WeakPolarHBondContact CB-O 3.38Å; P313-A396 HydrophobicContact CG-CB 3.95Å; P313-A396 WeakPolarHBondContact CG-O 3.33Å; P313-T398 HydrophobicContact CB-CG2 3.47Å; P313-T398 VanDerWaalsContact CB-CG2 3.47Å |
| 314 | K | 80 | Confident | 85.5 | Confident | 154 Ų | 154 | 48 Ų | 48 | 67% | 0.67 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.2 | -32.6 | -179.9 | -66.9 | -172 | 176.2 | -173.2 | 0 | 113.5 | C312 Y318 | C312-K314 PolarHBondContact O-N 3.2Å; K314-Y318 WeakPolarHBondContact O-CB 3.32Å; K314-Y318 PolarHBondContact O-N 3.11Å |
| 315 | T | 85.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.2 | -37.7 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | I231 S239 L240 C243 L311 C312 P313 Y318 I319 | I231-T315 HydrophobicContact CG2-CG2 4.34Å; S239-T315 WeakPolarHBondContact OG-CB 3.25Å; S239-T315 VanDerWaalsContact OG-CG2 3.32Å; S239-T315 WeakPolarHBondContact OG-CG2 3.48Å; S239-T315 PolarHBondContact OG-OG1 3.26Å; L240-T315 PolarHBondContact N-OG1 2.82Å; C243-T315 HydrophobicContact CB-CG2 4.41Å; C243-T315 WeakPolarHBondContact SG-CG2 3.41Å; L311-T315 HydrophobicContact CD1-CG2 3.68Å; L311-T315 HydrophobicContact CG-CG2 4.46Å; C312-T315 PolarHBondContact O-N 3.41Å; C312-T315 WeakPolarHBondContact SG-CB 3.39Å; C312-T315 PolarHBondContact SG-OG1 3.02Å; P313-T315 VanDerWaalsContact C-N 3.31Å; P313-T315 PolarHBondContact O-N 3.24Å; T315-Y318 PolarHBondContact O-N 3.14Å; T315-I319 HydrophobicContact CG2-CD1 4.08Å; T315-I319 HydrophobicContact CG2-CG1 4.4Å; T315-I319 VanDerWaalsContact O-CG1 3.29Å; T315-I319 WeakPolarHBondContact O-CG1 3.31Å; T315-I319 PolarHBondContact O-N 3.45Å |
| 316 | R | 88 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 174.1 | -169.9 | 179.7 | -63 | 96.5 | 3.8 | 111.7 | V306 S308 L311 C312 P313 Y318 I319 L320 A396 | V306-R316 HydrophobicContact CG1-CG 3.89Å; V306-R316 VanDerWaalsContact O-CD 3.31Å; V306-R316 WeakPolarHBondContact O-CD 3.39Å; V306-R316 PolarHBondContact O-NE 3.43Å; S308-R316 PolarHBondContact O-NH2 2.87Å; L311-R316 HydrophobicContact CD2-CB 3.63Å; L311-R316 HydrophobicContact CD2-CG 3.98Å; L311-R316 HydrophobicContact CG-CB 4.25Å; L311-R316 PolarHBondContact O-NH2 3.22Å; C312-R316 PolarHBondContact O-N 2.84Å; P313-R316 WeakPolarHBondContact O-CB 3.35Å; P313-R316 PolarHBondContact O-N 3.46Å; P313-R316 VanDerWaalsContact O-N 3.11Å; R316-Y318 VanDerWaalsContact C-N 3.31Å; R316-Y318 PolarHBondContact O-N 2.91Å; R316-I319 PolarHBondContact O-N 2.72Å; R316-I319 VanDerWaalsContact O-N 3.14Å; R316-L320 HydrophobicContact CG-CD1 4.23Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 3.14Å; R316-A396 PolarHBondContact NH1-O 3.34Å |
| 317 | D | 84.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 178.5 | -62.7 | -23.2 | 0 | 0 | 0 | 111.3 | P313 I319 L320 E321 T398 T401 | P313-D317 PolarHBondContact O-N 2.96Å; D317-I319 VanDerWaalsContact C-N 3.31Å; D317-I319 PolarHBondContact O-N 3.21Å; D317-L320 CarbonylContact O-C 3.16Å; D317-L320 WeakPolarHBondContact O-CB 3.45Å; D317-L320 PolarHBondContact O-N 2.93Å; D317-L320 VanDerWaalsContact O-N 3.13Å; D317-E321 WeakPolarHBondContact O-CG 3.37Å; D317-E321 PolarHBondContact O-N 3.29Å; D317-T398 VanDerWaalsContact OD2-CB 3.26Å; D317-T398 WeakPolarHBondContact OD2-CB 3.37Å; D317-T398 WeakPolarHBondContact OD2-CG2 3.19Å; D317-T398 PolarHBondContact OD2-OG1 3.06Å; D317-T401 WeakPolarHBondContact OD1-CA 3.34Å; D317-T401 VanDerWaalsContact OD1-CB 3.32Å; D317-T401 WeakPolarHBondContact OD1-CB 3.32Å; D317-T401 PolarHBondContact OD1-OG1 3.48Å |
| 318 | Y | 85.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 176.8 | -164.4 | -97.2 | 0 | 0 | 0 | 112.9 | L240 C243 R244 N247 K314 T315 R316 E321 I322 | L240-Y318 HydrophobicContact CD1-CD1 4.37Å; L240-Y318 HydrophobicContact CD1-CD2 4.25Å; L240-Y318 HydrophobicContact CD1-CG 3.83Å; C243-Y318 HydrophobicContact CB-CD1 3.58Å; C243-Y318 HydrophobicContact CB-CE1 4.05Å; R244-Y318 HydrophobicContact CB-CE1 4.34Å; R244-Y318 HydrophobicContact CG-CE1 3.83Å; R244-Y318 HydrophobicContact CG-CE2 4.14Å; N247-Y318 HydrophobicContact CB-CE1 4.2Å; N247-Y318 PolarHBondContact ND2-OH 3Å; K314-Y318 WeakPolarHBondContact O-CB 3.32Å; K314-Y318 PolarHBondContact O-N 3.11Å; T315-Y318 PolarHBondContact O-N 3.14Å; R316-Y318 VanDerWaalsContact C-N 3.31Å; R316-Y318 PolarHBondContact O-N 2.91Å; Y318-E321 PolarHBondContact O-N 3.22Å; Y318-I322 HydrophobicContact CD1-CD1 3.83Å; Y318-I322 HydrophobicContact CD1-CG1 4.3Å; Y318-I322 HydrophobicContact CE1-CD1 3.75Å; Y318-I322 HydrophobicContact CE1-CG1 4.12Å; Y318-I322 VanDerWaalsContact O-CG1 3.29Å; Y318-I322 WeakPolarHBondContact O-CG1 3.27Å; Y318-I322 PolarHBondContact O-N 3.28Å |
| 319 | I | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 172.7 | -68.6 | 173.6 | 0 | 0 | 0 | 110.5 | I231 L302 V306 L311 T315 R316 D317 E321 I322 L323 | I231-I319 HydrophobicContact CG2-CD1 3.98Å; L302-I319 HydrophobicContact CB-CG2 3.95Å; L302-I319 HydrophobicContact CD2-CD1 3.92Å; L302-I319 HydrophobicContact CD2-CG1 3.96Å; L302-I319 HydrophobicContact CD2-CG2 4.23Å; V306-I319 HydrophobicContact CG2-CG2 3.72Å; L311-I319 HydrophobicContact CD1-CD1 4.22Å; L311-I319 HydrophobicContact CD2-CD1 3.97Å; T315-I319 HydrophobicContact CG2-CD1 4.08Å; T315-I319 HydrophobicContact CG2-CG1 4.4Å; T315-I319 VanDerWaalsContact O-CG1 3.29Å; T315-I319 WeakPolarHBondContact O-CG1 3.31Å; T315-I319 PolarHBondContact O-N 3.45Å; R316-I319 PolarHBondContact O-N 2.72Å; R316-I319 VanDerWaalsContact O-N 3.14Å; D317-I319 VanDerWaalsContact C-N 3.31Å; D317-I319 PolarHBondContact O-N 3.21Å; I319-E321 VanDerWaalsContact C-N 3.31Å; I319-E321 PolarHBondContact O-N 3.33Å; I319-I322 WeakPolarHBondContact O-CB 3.32Å; I319-I322 PolarHBondContact O-N 3.35Å; I319-L323 HydrophobicContact CG2-CD1 4.15Å; I319-L323 WeakPolarHBondContact O-CG 3.28Å; I319-L323 PolarHBondContact O-N 3.13Å |
| 320 | L | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 175 | -70.3 | 167.5 | 0 | 0 | 0 | 111.5 | V306 R316 D317 L323 V324 L349 T401 T404 V405 L408 | V306-L320 HydrophobicContact CG1-CD2 3.75Å; V306-L320 HydrophobicContact CG1-CG 4.11Å; V306-L320 HydrophobicContact CG2-CD2 4.47Å; R316-L320 HydrophobicContact CG-CD1 4.23Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 3.14Å; D317-L320 CarbonylContact O-C 3.16Å; D317-L320 WeakPolarHBondContact O-CB 3.45Å; D317-L320 PolarHBondContact O-N 2.93Å; D317-L320 VanDerWaalsContact O-N 3.13Å; L320-L323 WeakPolarHBondContact O-CB 3.41Å; L320-L323 PolarHBondContact O-N 3.49Å; L320-L323 VanDerWaalsContact O-N 3.17Å; L320-V324 VanDerWaalsContact O-CG2 3.3Å; L320-V324 WeakPolarHBondContact O-CG2 3.48Å; L320-V324 PolarHBondContact O-N 3.33Å; L320-L349 HydrophobicContact CD2-CD2 3.98Å; L320-T401 HydrophobicContact CD1-CG2 3.83Å; L320-T404 HydrophobicContact CB-CG2 3.58Å; L320-V405 HydrophobicContact CD1-CG2 3.63Å; L320-V405 HydrophobicContact CD2-CG2 4.04Å; L320-V405 HydrophobicContact CG-CG2 4.5Å; L320-L408 HydrophobicContact CD2-CD2 4.1Å |
| 321 | E | 85.7 | Confident | 83.8 | Confident | 102 Ų | 102 | 37.3 Ų | 37.3 | 48% | 0.477 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61 | -42.8 | 173.6 | -73.8 | 173.2 | -166.3 | 0 | 0 | 112.3 | D317 Y318 I319 L323 V324 R325 T404 | D317-E321 WeakPolarHBondContact O-CG 3.37Å; D317-E321 PolarHBondContact O-N 3.29Å; Y318-E321 PolarHBondContact O-N 3.22Å; I319-E321 VanDerWaalsContact C-N 3.31Å; I319-E321 PolarHBondContact O-N 3.33Å; E321-L323 VanDerWaalsContact C-N 3.31Å; E321-L323 PolarHBondContact O-N 3.19Å; E321-V324 PolarHBondContact O-N 3.01Å; E321-R325 WeakPolarHBondContact O-CB 3.24Å; E321-R325 PolarHBondContact O-N 2.87Å; E321-T404 HydrophobicContact CG-CG2 4.35Å |
| 322 | I | 87.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.5 | -47.9 | 172.4 | -69.6 | 167.4 | 0 | 0 | 0 | 109.4 | N247 L250 L299 L302 Y318 I319 R325 Y326 | N247-I322 HydrophobicContact CB-CD1 3.89Å; N247-I322 HydrophobicContact CB-CG1 4.06Å; L250-I322 HydrophobicContact CD1-CG2 3.77Å; L299-I322 HydrophobicContact CD2-CG2 4.32Å; L302-I322 HydrophobicContact CD1-CD1 4.32Å; L302-I322 HydrophobicContact CD1-CG2 4.02Å; Y318-I322 HydrophobicContact CD1-CD1 3.83Å; Y318-I322 HydrophobicContact CD1-CG1 4.3Å; Y318-I322 HydrophobicContact CE1-CD1 3.75Å; Y318-I322 HydrophobicContact CE1-CG1 4.12Å; Y318-I322 VanDerWaalsContact O-CG1 3.29Å; Y318-I322 WeakPolarHBondContact O-CG1 3.27Å; Y318-I322 PolarHBondContact O-N 3.28Å; I319-I322 WeakPolarHBondContact O-CB 3.32Å; I319-I322 PolarHBondContact O-N 3.35Å; I322-R325 WeakPolarHBondContact O-CB 3.21Å; I322-R325 PolarHBondContact O-N 3.45Å; I322-Y326 HydrophobicContact CG2-CD2 3.71Å; I322-Y326 HydrophobicContact CG2-CE2 4Å; I322-Y326 VanDerWaalsContact O-CD2 3.25Å; I322-Y326 WeakPolarHBondContact O-CD2 3.42Å; I322-Y326 PolarHBondContact O-N 3.15Å |
| 323 | L | 90.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | -179.6 | -65.8 | 168.1 | 0 | 0 | 0 | 111.7 | L299 L303 V306 I319 L320 E321 R325 Y326 V327 P328 L408 | L299-L323 HydrophobicContact CD2-CD2 4.47Å; L303-L323 HydrophobicContact CB-CD2 4.3Å; L303-L323 HydrophobicContact CD1-CD1 3.62Å; L303-L323 HydrophobicContact CD1-CD2 4.22Å; V306-L323 HydrophobicContact CG2-CD1 3.94Å; I319-L323 HydrophobicContact CG2-CD1 4.15Å; I319-L323 WeakPolarHBondContact O-CG 3.28Å; I319-L323 PolarHBondContact O-N 3.13Å; L320-L323 WeakPolarHBondContact O-CB 3.41Å; L320-L323 PolarHBondContact O-N 3.49Å; L320-L323 VanDerWaalsContact O-N 3.17Å; E321-L323 VanDerWaalsContact C-N 3.31Å; E321-L323 PolarHBondContact O-N 3.19Å; L323-R325 PolarHBondContact O-N 2.99Å; L323-Y326 PolarHBondContact O-N 3.07Å; L323-V327 HydrophobicContact CB-CG2 4.25Å; L323-V327 HydrophobicContact CD2-CG2 3.93Å; L323-V327 VanDerWaalsContact O-CB 3.24Å; L323-V327 WeakPolarHBondContact O-CB 3.45Å; L323-V327 WeakPolarHBondContact O-CG2 3.4Å; L323-V327 PolarHBondContact O-N 2.97Å; L323-P328 WeakPolarHBondContact O-CD 3.49Å; L323-L408 HydrophobicContact CB-CD1 4.09Å; L323-L408 HydrophobicContact CB-CD2 3.84Å; L323-L408 HydrophobicContact CD1-CD2 4.11Å |
| 324 | V | 85.1 | Confident | 83.8 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -29.4 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | L320 E321 P328 T404 L408 K411 | L320-V324 VanDerWaalsContact O-CG2 3.3Å; L320-V324 WeakPolarHBondContact O-CG2 3.48Å; L320-V324 PolarHBondContact O-N 3.33Å; E321-V324 PolarHBondContact O-N 3.01Å; V324-P328 WeakPolarHBondContact O-CD 3.42Å; V324-P328 VanDerWaalsContact O-CG 3.31Å; V324-P328 WeakPolarHBondContact O-CG 3.07Å; V324-T404 HydrophobicContact CG2-CG2 4.22Å; V324-L408 HydrophobicContact CG2-CB 3.68Å; V324-L408 HydrophobicContact CG2-CD1 4.13Å; V324-L408 HydrophobicContact CG2-CG 4.4Å; V324-K411 HydrophobicContact CG1-CD 4.01Å; V324-K411 PolarHBondContact O-NZ 2.84Å |
| 325 | R | 85 | Confident | 84 | Confident | 88 Ų | 88 | 29.6 Ų | 29.6 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -81.2 | -47.1 | 179.2 | -178.2 | 174.5 | 179.6 | 175.5 | -5.1 | 113.2 | E251 E321 I322 L323 G332 | E251-R325 IonicContact OE2-CZ 2.72Å; E251-R325 IonicContact OE2-NH2 3.37Å; E251-R325 PolarHBondContact OE2-NH2 2.99Å; E321-R325 WeakPolarHBondContact O-CB 3.24Å; E321-R325 PolarHBondContact O-N 2.87Å; I322-R325 WeakPolarHBondContact O-CB 3.21Å; I322-R325 PolarHBondContact O-N 3.45Å; L323-R325 PolarHBondContact O-N 2.99Å; R325-G332 VanDerWaalsContact O-CA 3.3Å; R325-G332 WeakPolarHBondContact O-CA 3.45Å |
| 326 | Y | 87.4 | Confident | 84 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -95.2 | -34.3 | -171.5 | -68.2 | -78.4 | 0 | 0 | 0 | 114.1 | N247 L250 E251 T254 L256 I322 L323 G332 I333 | N247-Y326 PolarHBondContact O-OH 3.02Å; N247-Y326 VanDerWaalsContact OD1-CE2 3.23Å; N247-Y326 WeakPolarHBondContact OD1-CE2 3.3Å; N247-Y326 PolarHBondContact OD1-OH 3.26Å; L250-Y326 HydrophobicContact CB-CE1 4.31Å; L250-Y326 HydrophobicContact CB-CE2 4.06Å; L250-Y326 HydrophobicContact CD1-CD2 4.35Å; L250-Y326 HydrophobicContact CD1-CE2 4.22Å; E251-Y326 WeakPolarHBondContact CA-OH 3.36Å; E251-Y326 PolarHBondContact N-OH 3.02Å; E251-Y326 PolarHBondContact OE2-OH 3.24Å; T254-Y326 HydrophobicContact CG2-CD1 4.26Å; T254-Y326 HydrophobicContact CG2-CE1 4.31Å; T254-Y326 WeakPolarHBondContact OG1-CE1 3.22Å; L256-Y326 HydrophobicContact CB-CE1 4.45Å; L256-Y326 HydrophobicContact CD2-CD1 3.81Å; L256-Y326 HydrophobicContact CD2-CE1 3.98Å; I322-Y326 HydrophobicContact CG2-CD2 3.71Å; I322-Y326 HydrophobicContact CG2-CE2 4Å; I322-Y326 VanDerWaalsContact O-CD2 3.25Å; I322-Y326 WeakPolarHBondContact O-CD2 3.42Å; I322-Y326 PolarHBondContact O-N 3.15Å; L323-Y326 PolarHBondContact O-N 3.07Å; Y326-G332 CarbonylContact O-C 3.6Å; Y326-G332 VanDerWaalsContact O-CA 3.31Å; Y326-G332 WeakPolarHBondContact O-CA 3.34Å; Y326-I333 VanDerWaalsContact O-CG1 3.31Å; Y326-I333 WeakPolarHBondContact O-CG1 3.49Å; Y326-I333 PolarHBondContact O-N 3.16Å |
| 327 | V | 87.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -67.3 | -46.2 | -173.2 | 174.3 | 0 | 0 | 0 | 0 | 113.8 | L323 W335 S336 I339 I412 | L323-V327 HydrophobicContact CB-CG2 4.25Å; L323-V327 HydrophobicContact CD2-CG2 3.93Å; L323-V327 VanDerWaalsContact O-CB 3.24Å; L323-V327 WeakPolarHBondContact O-CB 3.45Å; L323-V327 WeakPolarHBondContact O-CG2 3.4Å; L323-V327 PolarHBondContact O-N 2.97Å; V327-W335 PolarHBondContact O-N 2.67Å; V327-S336 PolarHBondContact O-N 3.43Å; V327-S336 PolarHBondContact O-OG 3.27Å; V327-I339 HydrophobicContact CB-CD1 4.02Å; V327-I339 HydrophobicContact CG1-CD1 3.56Å; V327-I339 HydrophobicContact CG2-CD1 3.33Å; V327-I412 HydrophobicContact CG1-CG1 4.42Å |
| 328 | P | 84.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -64.6 | 159.9 | -172.4 | -25.9 | 37.8 | 0 | 0 | 0 | 114.8 | L323 V324 D330 G332 I333 G334 K411 D415 | L323-P328 WeakPolarHBondContact O-CD 3.49Å; V324-P328 WeakPolarHBondContact O-CD 3.42Å; V324-P328 VanDerWaalsContact O-CG 3.31Å; V324-P328 WeakPolarHBondContact O-CG 3.07Å; P328-D330 WeakPolarHBondContact CB-OD1 3.17Å; P328-G332 CarbonylContact O-C 3.57Å; P328-G332 WeakPolarHBondContact O-CA 3.35Å; P328-G332 PolarHBondContact O-N 3.04Å; P328-I333 PolarHBondContact O-N 3.49Å; P328-G334 PolarHBondContact O-N 3.17Å; P328-G334 VanDerWaalsContact O-N 3.13Å; P328-K411 HydrophobicContact CB-CB 4.03Å; P328-K411 HydrophobicContact CB-CD 4.32Å; P328-K411 HydrophobicContact CB-CG 4.49Å; P328-K411 HydrophobicContact CG-CB 3.66Å; P328-K411 HydrophobicContact CG-CD 3.66Å; P328-K411 HydrophobicContact CG-CG 4.16Å; P328-D415 VanDerWaalsContact CA-OD2 3.24Å; P328-D415 WeakPolarHBondContact CA-OD2 3.33Å |
| 329 | S | 76.8 | Confident | 83.8 | Confident | 73 Ų | 73 | 35.5 Ų | 35.5 | 51% | 0.51 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -24.2 | 179.9 | 81.2 | 0 | 0 | 0 | 0 | 114.6 | D415 | S329-D415 VanDerWaalsContact CB-OD1 3.23Å; S329-D415 WeakPolarHBondContact CB-OD1 3.39Å; S329-D415 PolarHBondContact N-OD1 3.48Å; S329-D415 PolarHBondContact N-OD2 2.96Å; S329-D415 PolarHBondContact OG-OD1 3.49Å |
| 330 | D | 71.4 | Confident | 83.6 | Confident | 80 Ų | 80 | 36.5 Ų | 36.5 | 43% | 0.428 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -49 | -178.3 | 68.8 | -33.5 | 0 | 0 | 0 | 112.3 | P328 | P328-D330 WeakPolarHBondContact CB-OD1 3.17Š|
| 331 | K | 70.7 | Confident | 83.4 | Confident | 125 Ų | 125 | 44.9 Ų | 44.9 | 54% | 0.543 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -20.5 | -174.1 | -71.5 | -180 | -176.6 | -175.5 | 0 | 113 | L256 H260 | L256-K331 WeakPolarHBondContact CD2-O 3.25Å; H260-K331 PolarHBondContact CE1-O 3.07Å; H260-K331 PolarHBondContact NE2-O 3.28Å |
| 332 | G | 80.9 | Confident | 83.4 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -103 | -150.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R325 Y326 P328 | R325-G332 VanDerWaalsContact O-CA 3.3Å; R325-G332 WeakPolarHBondContact O-CA 3.45Å; Y326-G332 CarbonylContact O-C 3.6Å; Y326-G332 VanDerWaalsContact O-CA 3.31Å; Y326-G332 WeakPolarHBondContact O-CA 3.34Å; P328-G332 CarbonylContact O-C 3.57Å; P328-G332 WeakPolarHBondContact O-CA 3.35Å; P328-G332 PolarHBondContact O-N 3.04Å |
| 333 | I | 82.7 | Confident | 83 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | trans | -93.3 | -0.1 | -178.4 | 73.6 | -166.1 | 0 | 0 | 0 | 112.9 | T254 Y285 V295 L299 Y326 P328 W335 | T254-I333 HydrophobicContact CG2-CG2 4.03Å; Y285-I333 HydrophobicContact CD1-CB 4.12Å; Y285-I333 HydrophobicContact CD1-CG2 4.23Å; Y285-I333 HydrophobicContact CE1-CB 3.65Å; Y285-I333 HydrophobicContact CE1-CG2 3.45Å; Y285-I333 VanDerWaalsContact CE1-CG2 3.45Å; V295-I333 HydrophobicContact CG1-CD1 4.07Å; L299-I333 HydrophobicContact CD1-CD1 3.73Å; Y326-I333 VanDerWaalsContact O-CG1 3.31Å; Y326-I333 WeakPolarHBondContact O-CG1 3.49Å; Y326-I333 PolarHBondContact O-N 3.16Å; P328-I333 PolarHBondContact O-N 3.49Å; I333-W335 HydrophobicContact CD1-CB 4.38Å; I333-W335 HydrophobicContact CD1-CD2 3.42Å; I333-W335 VanDerWaalsContact CD1-CD2 3.42Å; I333-W335 HydrophobicContact CD1-CE3 3.48Å; I333-W335 VanDerWaalsContact CD1-CE3 3.48Å; I333-W335 HydrophobicContact CD1-CG 3.85Å; I333-W335 HydrophobicContact CD1-CH2 4.11Å; I333-W335 HydrophobicContact CD1-CZ2 4.09Å; I333-W335 HydrophobicContact CD1-CZ3 3.8Å; I333-W335 HydrophobicContact CG1-CB 3.99Å; I333-W335 HydrophobicContact CG1-CD2 3.74Å; I333-W335 HydrophobicContact CG1-CE3 4.26Å; I333-W335 HydrophobicContact CG1-CG 3.6Å | ||
| 334 | G | 81.8 | Confident | 82.7 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 70.3 | 40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P328 | P328-G334 PolarHBondContact O-N 3.17Å; P328-G334 VanDerWaalsContact O-N 3.13Å |
| 335 | W | 85.9 | Confident | 82.9 | Confident | 16 Ų | 16 | 51 Ų | 51 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | trans | -101 | 7.8 | -178.1 | -79.9 | 12.6 | 0 | 0 | 0 | 114.5 | I287 E292 V295 E296 L299 V327 I333 Q337 K338 I339 | I287-W335 HydrophobicContact CD1-CH2 4.16Å; I287-W335 HydrophobicContact CD1-CZ2 3.88Å; I287-W335 HydrophobicContact CG2-CZ2 4.16Å; E292-W335 HydrophobicContact CG-CH2 4.3Å; E292-W335 HydrophobicContact CG-CZ2 3.9Å; E292-W335 WeakPolarHBondContact O-CH2 3.49Å; V295-W335 HydrophobicContact CB-CH2 4.04Å; V295-W335 HydrophobicContact CB-CZ3 4.4Å; V295-W335 HydrophobicContact CG1-CH2 3.77Å; V295-W335 HydrophobicContact CG1-CZ3 3.81Å; E296-W335 VanDerWaalsContact CA-CZ3 3.5Å; E296-W335 HydrophobicContact CB-CH2 3.88Å; E296-W335 HydrophobicContact CB-CZ3 3.78Å; E296-W335 HydrophobicContact CG-CZ3 4.36Å; L299-W335 HydrophobicContact CD1-CE3 3.94Å; L299-W335 HydrophobicContact CD1-CZ3 3.96Å; V327-W335 PolarHBondContact O-N 2.67Å; I333-W335 HydrophobicContact CD1-CB 4.38Å; I333-W335 HydrophobicContact CD1-CD2 3.42Å; I333-W335 VanDerWaalsContact CD1-CD2 3.42Å; I333-W335 HydrophobicContact CD1-CE3 3.48Å; I333-W335 VanDerWaalsContact CD1-CE3 3.48Å; I333-W335 HydrophobicContact CD1-CG 3.85Å; I333-W335 HydrophobicContact CD1-CH2 4.11Å; I333-W335 HydrophobicContact CD1-CZ2 4.09Å; I333-W335 HydrophobicContact CD1-CZ3 3.8Å; I333-W335 HydrophobicContact CG1-CB 3.99Å; I333-W335 HydrophobicContact CG1-CD2 3.74Å; I333-W335 HydrophobicContact CG1-CE3 4.26Å; I333-W335 HydrophobicContact CG1-CG 3.6Å; W335-Q337 PolarHBondContact O-N 3.33Å; W335-Q337 VanDerWaalsContact O-N 3.17Å; W335-K338 HydrophobicContact CB-CB 4.39Å; W335-K338 HydrophobicContact CD2-CD 4.16Å; W335-K338 HydrophobicContact CG-CD 4.09Å; W335-K338 WeakPolarHBondContact O-CA 3.27Å; W335-K338 WeakPolarHBondContact O-CB 3.36Å; W335-K338 PolarHBondContact O-N 3.28Å; W335-I339 HydrophobicContact CB-CD1 4.35Å; W335-I339 PolarHBondContact O-N 2.87Å | ||
| 336 | S | 85.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -49.3 | -43.3 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | V327 I339 F340 D415 | V327-S336 PolarHBondContact O-N 3.43Å; V327-S336 PolarHBondContact O-OG 3.27Å; S336-I339 PolarHBondContact O-N 3.45Å; S336-F340 WeakPolarHBondContact O-CB 3.31Å; S336-F340 PolarHBondContact O-N 3.07Å; S336-D415 VanDerWaalsContact CB-CB 3.49Å; S336-D415 WeakPolarHBondContact CB-OD2 3.02Å; S336-D415 PolarHBondContact OG-OD2 3.18Å |
| 337 | Q | 85.3 | Confident | 83.3 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 175.9 | -66.1 | -175.5 | -0.3 | 0 | 0 | 114 | W335 K341 L416 | W335-Q337 PolarHBondContact O-N 3.33Å; W335-Q337 VanDerWaalsContact O-N 3.17Å; Q337-K341 WeakPolarHBondContact O-CG 3.47Å; Q337-K341 PolarHBondContact O-N 3.31Å; Q337-L416 HydrophobicContact CG-CD2 4.27Å |
| 338 | K | 84.1 | Confident | 83.3 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 176.4 | -77.5 | -169.1 | 178 | -172.6 | 0 | 110.7 | E292 W335 K341 | E292-K338 IonicContact OE1-NZ 2.87Å; E292-K338 PolarHBondContact OE1-NZ 3.01Å; W335-K338 HydrophobicContact CB-CB 4.39Å; W335-K338 HydrophobicContact CD2-CD 4.16Å; W335-K338 HydrophobicContact CG-CD 4.09Å; W335-K338 WeakPolarHBondContact O-CA 3.27Å; W335-K338 WeakPolarHBondContact O-CB 3.36Å; W335-K338 PolarHBondContact O-N 3.28Å; K338-K341 PolarHBondContact O-N 3.02Å |
| 339 | I | 84.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -38 | -179.5 | -76.7 | 168.9 | 0 | 0 | 0 | 111.2 | L303 V327 W335 S336 K341 I342 V345 | L303-I339 HydrophobicContact CD2-CG1 4.45Å; L303-I339 HydrophobicContact CD2-CG2 3.45Å; L303-I339 VanDerWaalsContact CD2-CG2 3.45Å; V327-I339 HydrophobicContact CB-CD1 4.02Å; V327-I339 HydrophobicContact CG1-CD1 3.56Å; V327-I339 HydrophobicContact CG2-CD1 3.33Å; W335-I339 HydrophobicContact CB-CD1 4.35Å; W335-I339 PolarHBondContact O-N 2.87Å; S336-I339 PolarHBondContact O-N 3.45Å; I339-K341 PolarHBondContact O-N 3.47Å; I339-I342 WeakPolarHBondContact O-CB 3.49Å; I339-I342 PolarHBondContact O-N 2.95Å; I339-V345 HydrophobicContact CG2-CG1 3.83Å |
| 340 | F | 85.2 | Confident | 84.3 | Confident | 21 Ų | 21 | 47 Ų | 47 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -31.9 | 174.3 | 178.8 | -111 | 0 | 0 | 0 | 112.9 | S336 I342 I346 L416 E424 Y425 I428 | S336-F340 WeakPolarHBondContact O-CB 3.31Å; S336-F340 PolarHBondContact O-N 3.07Å; F340-I342 PolarHBondContact O-N 3.32Å; F340-I346 HydrophobicContact CD2-CD1 4.44Å; F340-I346 HydrophobicContact CD2-CG1 4.14Å; F340-I346 HydrophobicContact CE2-CG1 4.36Å; F340-L416 HydrophobicContact CB-CD2 4.34Å; F340-L416 HydrophobicContact CD1-CD2 4.08Å; F340-L416 HydrophobicContact CD2-CD1 4.47Å; F340-L416 HydrophobicContact CE2-CD1 4.49Å; F340-L416 HydrophobicContact CG-CD2 4.16Å; F340-E424 HydrophobicContact CE1-CB 4.4Å; F340-E424 HydrophobicContact CE1-CG 4.3Å; F340-E424 HydrophobicContact CZ-CB 4Å; F340-E424 HydrophobicContact CZ-CG 3.88Å; F340-Y425 AromaticContact CD2-CD2 3.91Å; F340-Y425 HydrophobicContact CD2-CD2 3.91Å; F340-Y425 AromaticContact CE2-CD2 3.67Å; F340-Y425 HydrophobicContact CE2-CD2 3.67Å; F340-Y425 HydrophobicContact CE2-CG 4.14Å; F340-I428 HydrophobicContact CE2-CD1 3.99Å; F340-I428 HydrophobicContact CZ-CD1 4.2Å |
| 341 | K | 83.9 | Confident | 85.1 | Confident | 176 Ų | 176 | 47 Ų | 47 | 77% | 0.765 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.2 | 175.5 | -70.1 | 175.4 | -178.9 | -178.1 | 0 | 114.1 | Q337 K338 I339 E343 | Q337-K341 WeakPolarHBondContact O-CG 3.47Å; Q337-K341 PolarHBondContact O-N 3.31Å; K338-K341 PolarHBondContact O-N 3.02Å; I339-K341 PolarHBondContact O-N 3.47Å; K341-E343 PolarHBondContact O-N 2.89Å |
| 342 | I | 85.3 | Confident | 86 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -81.5 | 113.3 | 177.1 | -55.1 | 175.3 | 0 | 0 | 0 | 107.6 | T300 I339 F340 V345 | T300-I342 HydrophobicContact CG2-CD1 4.02Å; I339-I342 WeakPolarHBondContact O-CB 3.49Å; I339-I342 PolarHBondContact O-N 2.95Å; F340-I342 PolarHBondContact O-N 3.32Å; I342-V345 HydrophobicContact CB-CG2 3.67Å; I342-V345 HydrophobicContact CG2-CG2 3.65Å; I342-V345 WeakPolarHBondContact O-CB 3.33Å; I342-V345 WeakPolarHBondContact O-CG2 3.31Å; I342-V345 PolarHBondContact O-N 3.3Å |
| 343 | E | 80.3 | Confident | 86.2 | Confident | 192 Ų | 192 | 40.9 Ų | 40.9 | 90% | 0.897 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 138.1 | -179.4 | -167.1 | 176.4 | -175.1 | 0 | 0 | 112.2 | K341 V345 | K341-E343 PolarHBondContact O-N 2.89Å; E343-V345 VanDerWaalsContact C-N 3.28Å; E343-V345 PolarHBondContact O-N 3.45Å |
| 344 | G | 84.4 | Confident | 86.3 | Confident | 28 Ų | 28 | 40.6 Ų | 40.6 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -1.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D347 S348 | G344-D347 WeakPolarHBondContact CA-OD2 3.44Å; G344-S348 WeakPolarHBondContact O-CB 3.49Å; G344-S348 PolarHBondContact O-N 3.31Å; G344-S348 PolarHBondContact O-OG 3.17Å |
| 345 | V | 87.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 179.7 | 160.2 | 0 | 0 | 0 | 0 | 111.9 | L303 I339 I342 E343 D347 S348 L349 | L303-V345 HydrophobicContact CD1-CG1 4.04Å; L303-V345 HydrophobicContact CD2-CB 4.16Å; L303-V345 HydrophobicContact CD2-CG1 3.52Å; L303-V345 HydrophobicContact CD2-CG2 3.48Å; L303-V345 VanDerWaalsContact CD2-CG2 3.48Å; L303-V345 HydrophobicContact CG-CG1 3.96Å; L303-V345 HydrophobicContact CG-CG2 4.06Å; I339-V345 HydrophobicContact CG2-CG1 3.83Å; I342-V345 HydrophobicContact CB-CG2 3.67Å; I342-V345 HydrophobicContact CG2-CG2 3.65Å; I342-V345 WeakPolarHBondContact O-CB 3.33Å; I342-V345 WeakPolarHBondContact O-CG2 3.31Å; I342-V345 PolarHBondContact O-N 3.3Å; E343-V345 VanDerWaalsContact C-N 3.28Å; E343-V345 PolarHBondContact O-N 3.45Å; V345-D347 VanDerWaalsContact C-N 3.33Å; V345-S348 WeakPolarHBondContact O-CB 3.38Å; V345-S348 PolarHBondContact O-N 3.12Å; V345-L349 WeakPolarHBondContact O-CG 3.5Å; V345-L349 PolarHBondContact O-N 3.47Å; V345-L349 VanDerWaalsContact O-N 3.11Å |
| 346 | I | 90.5 | Very high | 85.4 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | -179.5 | -61 | -55.2 | 0 | 0 | 0 | 108.8 | F340 S348 L349 L350 L409 I412 Y425 I428 | F340-I346 HydrophobicContact CD2-CD1 4.44Å; F340-I346 HydrophobicContact CD2-CG1 4.14Å; F340-I346 HydrophobicContact CE2-CG1 4.36Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 2.87Å; I346-L349 CarbonylContact O-C 3.59Å; I346-L349 WeakPolarHBondContact O-CA 3.5Å; I346-L349 WeakPolarHBondContact O-CB 3.37Å; I346-L349 PolarHBondContact O-N 3.23Å; I346-L350 HydrophobicContact CG2-CD1 3.99Å; I346-L350 HydrophobicContact CG2-CG 4.17Å; I346-L350 VanDerWaalsContact O-CG 3.32Å; I346-L350 WeakPolarHBondContact O-CG 3.4Å; I346-L350 PolarHBondContact O-N 3.23Å; I346-L409 HydrophobicContact CD1-CD2 4.48Å; I346-I412 HydrophobicContact CD1-CG2 4.47Å; I346-Y425 HydrophobicContact CD1-CD2 4.14Å; I346-Y425 HydrophobicContact CD1-CE2 3.6Å; I346-Y425 HydrophobicContact CG1-CD2 4.34Å; I346-Y425 HydrophobicContact CG1-CE2 4.19Å; I346-I428 HydrophobicContact CB-CG2 4.05Å; I346-I428 HydrophobicContact CG2-CG2 3.89Å |
| 347 | D | 90.2 | Very high | 84.3 | Confident | 52 Ų | 52 | 38.9 Ų | 38.9 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.6 | -45.8 | 174.3 | -51.1 | -86.2 | 0 | 0 | 0 | 111.9 | G344 V345 L349 L350 E351 F432 | G344-D347 WeakPolarHBondContact CA-OD2 3.44Å; V345-D347 VanDerWaalsContact C-N 3.33Å; D347-L349 VanDerWaalsContact C-N 3.27Å; D347-L349 PolarHBondContact O-N 2.86Å; D347-L350 CarbonylContact O-C 3.58Å; D347-L350 PolarHBondContact O-N 3.23Å; D347-L350 VanDerWaalsContact O-N 3.09Å; D347-E351 WeakPolarHBondContact O-CG 3.38Å; D347-E351 PolarHBondContact O-N 2.89Å; D347-F432 HydrophobicContact CB-CD2 4.4Å; D347-F432 HydrophobicContact CB-CE2 4.43Å |
| 348 | S | 89 | Confident | 83.3 | Confident | 21 Ų | 21 | 35 Ų | 35 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -35.3 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | N307 G344 V345 I346 V352 | N307-S348 PolarHBondContact ND2-OG 3.07Å; G344-S348 WeakPolarHBondContact O-CB 3.49Å; G344-S348 PolarHBondContact O-N 3.31Å; G344-S348 PolarHBondContact O-OG 3.17Å; V345-S348 WeakPolarHBondContact O-CB 3.38Å; V345-S348 PolarHBondContact O-N 3.12Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 2.87Å; S348-V352 WeakPolarHBondContact O-CG2 2.98Å; S348-V352 PolarHBondContact O-N 3.15Å |
| 349 | L | 91.5 | Very high | 82 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.6 | -37.7 | 175.1 | -66.4 | 177 | 0 | 0 | 0 | 111.6 | L303 V306 L320 V345 I346 D347 V352 A353 L408 L409 I412 | L303-L349 HydrophobicContact CD1-CD2 4.41Å; V306-L349 HydrophobicContact CG1-CD2 4.5Å; L320-L349 HydrophobicContact CD2-CD2 3.98Å; V345-L349 WeakPolarHBondContact O-CG 3.5Å; V345-L349 PolarHBondContact O-N 3.47Å; V345-L349 VanDerWaalsContact O-N 3.11Å; I346-L349 CarbonylContact O-C 3.59Å; I346-L349 WeakPolarHBondContact O-CA 3.5Å; I346-L349 WeakPolarHBondContact O-CB 3.37Å; I346-L349 PolarHBondContact O-N 3.23Å; D347-L349 VanDerWaalsContact C-N 3.27Å; D347-L349 PolarHBondContact O-N 2.86Å; L349-V352 PolarHBondContact O-N 3.35Å; L349-A353 PolarHBondContact O-N 2.86Å; L349-L408 HydrophobicContact CD1-CD2 3.91Å; L349-L408 HydrophobicContact CD1-CG 4.29Å; L349-L408 HydrophobicContact CD2-CD2 3.87Å; L349-L409 HydrophobicContact CB-CD2 4.01Å; L349-L409 HydrophobicContact CD1-CD2 3.86Å; L349-I412 HydrophobicContact CD1-CD1 4.19Å |
| 350 | L | 90.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 175.9 | -62 | 176.9 | 0 | 0 | 0 | 111.5 | I346 D347 V352 A353 C354 L409 F432 V451 L455 | I346-L350 HydrophobicContact CG2-CD1 3.99Å; I346-L350 HydrophobicContact CG2-CG 4.17Å; I346-L350 VanDerWaalsContact O-CG 3.32Å; I346-L350 WeakPolarHBondContact O-CG 3.4Å; I346-L350 PolarHBondContact O-N 3.23Å; D347-L350 CarbonylContact O-C 3.58Å; D347-L350 PolarHBondContact O-N 3.23Å; D347-L350 VanDerWaalsContact O-N 3.09Å; L350-V352 VanDerWaalsContact C-N 3.29Å; L350-V352 PolarHBondContact O-N 3.41Å; L350-A353 CarbonylContact O-C 3.48Å; L350-A353 WeakPolarHBondContact O-CA 3.15Å; L350-A353 VanDerWaalsContact O-CB 3.26Å; L350-A353 WeakPolarHBondContact O-CB 3.44Å; L350-A353 PolarHBondContact O-N 3.19Å; L350-C354 PolarHBondContact O-N 2.93Å; L350-C354 PolarHBondContact O-SG 3.16Å; L350-L409 HydrophobicContact CD2-CD1 4.11Å; L350-F432 HydrophobicContact CB-CD1 3.86Å; L350-F432 HydrophobicContact CB-CD2 4.5Å; L350-F432 HydrophobicContact CB-CE1 3.62Å; L350-F432 HydrophobicContact CB-CE2 4.3Å; L350-F432 HydrophobicContact CB-CG 4.3Å; L350-F432 HydrophobicContact CB-CZ 3.87Å; L350-F432 HydrophobicContact CD1-CB 3.93Å; L350-F432 HydrophobicContact CD1-CD1 3.88Å; L350-F432 HydrophobicContact CD1-CD2 4.37Å; L350-F432 HydrophobicContact CD1-CG 3.8Å; L350-F432 HydrophobicContact CG-CD1 4.49Å; L350-V451 HydrophobicContact CB-CG1 4.47Å; L350-V451 HydrophobicContact CD2-CG1 3.73Å; L350-L455 HydrophobicContact CD2-CD2 4.31Å |
| 351 | E | 88.1 | Confident | 78.7 | Confident | 81 Ų | 81 | 33.8 Ų | 33.8 | 38% | 0.379 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.7 | -39.8 | 171 | -75 | 176.2 | 175.1 | 0 | 0 | 112.1 | N307 D347 A353 C354 A355 F432 | N307-E351 WeakPolarHBondContact CB-OE2 3.34Å; N307-E351 PolarHBondContact ND2-OE2 3.45Å; D347-E351 WeakPolarHBondContact O-CG 3.38Å; D347-E351 PolarHBondContact O-N 2.89Å; E351-A353 VanDerWaalsContact C-N 3.33Å; E351-C354 WeakPolarHBondContact O-CB 3.24Å; E351-C354 PolarHBondContact O-N 3.39Å; E351-A355 PolarHBondContact O-N 2.94Å; E351-F432 HydrophobicContact CG-CE2 4.25Å; E351-F432 HydrophobicContact CG-CZ 4.1Å |
| 352 | V | 88 | Confident | 76.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.9 | -35.2 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | V306 N307 S348 L349 L350 A355 S356 L395 T397 T401 V405 | V306-V352 HydrophobicContact CG1-CG2 3.71Å; N307-V352 HydrophobicContact CB-CG2 4.3Å; S348-V352 WeakPolarHBondContact O-CG2 2.98Å; S348-V352 PolarHBondContact O-N 3.15Å; L349-V352 PolarHBondContact O-N 3.35Å; L350-V352 VanDerWaalsContact C-N 3.29Å; L350-V352 PolarHBondContact O-N 3.41Å; V352-A355 PolarHBondContact O-N 2.94Å; V352-S356 VanDerWaalsContact O-CB 3.3Å; V352-S356 WeakPolarHBondContact O-CB 3.47Å; V352-S356 PolarHBondContact O-N 3.18Å; V352-S356 PolarHBondContact O-OG 2.91Å; V352-L395 HydrophobicContact CB-CD2 4.19Å; V352-L395 HydrophobicContact CG1-CD2 4.15Å; V352-L395 HydrophobicContact CG2-CD2 3.84Å; V352-T397 HydrophobicContact CG1-CG2 4.27Å; V352-T401 HydrophobicContact CG1-CG2 3.61Å; V352-V405 HydrophobicContact CB-CG2 4.38Å; V352-V405 HydrophobicContact CG1-CG2 3.83Å |
| 353 | A | 86.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | L349 L350 E351 A355 S356 G357 V405 S450 V451 T454 | L349-A353 PolarHBondContact O-N 2.86Å; L350-A353 CarbonylContact O-C 3.48Å; L350-A353 WeakPolarHBondContact O-CA 3.15Å; L350-A353 VanDerWaalsContact O-CB 3.26Å; L350-A353 WeakPolarHBondContact O-CB 3.44Å; L350-A353 PolarHBondContact O-N 3.19Å; E351-A353 VanDerWaalsContact C-N 3.33Å; A353-A355 PolarHBondContact O-N 3.13Å; A353-S356 WeakPolarHBondContact CA-OG 3.37Å; A353-S356 PolarHBondContact O-N 3.28Å; A353-S356 PolarHBondContact O-OG 2.75Å; A353-G357 PolarHBondContact O-N 3.3Å; A353-V405 HydrophobicContact CB-CG1 4.22Å; A353-S450 PolarHBondContact O-OG 2.94Å; A353-V451 HydrophobicContact CB-CG2 4.34Å; A353-T454 HydrophobicContact CB-CG2 3.87Å |
| 354 | C | 83.8 | Confident | 72.2 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.5 | -51.5 | 173.4 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | L350 E351 E447 S450 V451 | L350-C354 PolarHBondContact O-N 2.93Å; L350-C354 PolarHBondContact O-SG 3.16Å; E351-C354 WeakPolarHBondContact O-CB 3.24Å; E351-C354 PolarHBondContact O-N 3.39Å; C354-E447 HydrophobicContact CB-CB 3.95Å; C354-E447 HydrophobicContact CB-CG 4.07Å; C354-S450 PolarHBondContact O-OG 3.37Å; C354-V451 HydrophobicContact CB-CG2 4.39Å; C354-V451 WeakPolarHBondContact SG-CG2 3.47Å |
| 355 | A | 78.4 | Confident | 69.8 | Low | 14 Ų | 14 | 33.2 Ų | 33.2 | 12% | 0.116 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | E351 V352 A353 G357 I358 T359 L395 T397 | E351-A355 PolarHBondContact O-N 2.94Å; V352-A355 PolarHBondContact O-N 2.94Å; A353-A355 PolarHBondContact O-N 3.13Å; A355-G357 PolarHBondContact O-N 3.06Å; A355-I358 PolarHBondContact O-N 3.09Å; A355-T359 PolarHBondContact O-N 3.18Å; A355-T359 VanDerWaalsContact O-N 3.17Å; A355-T359 PolarHBondContact O-OG1 3.29Å; A355-L395 HydrophobicContact CB-CB 3.77Å; A355-L395 HydrophobicContact CB-CD2 3.92Å; A355-L395 HydrophobicContact CB-CG 4.48Å; A355-T397 HydrophobicContact CB-CG2 4.02Å; A355-T397 PolarHBondContact O-OG1 3.12Å |
| 356 | S | 71.2 | Confident | 67 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | -172.9 | 71.7 | 0 | 0 | 0 | 0 | 113.8 | V352 A353 I358 T359 S360 T397 R402 | V352-S356 VanDerWaalsContact O-CB 3.3Å; V352-S356 WeakPolarHBondContact O-CB 3.47Å; V352-S356 PolarHBondContact O-N 3.18Å; V352-S356 PolarHBondContact O-OG 2.91Å; A353-S356 WeakPolarHBondContact CA-OG 3.37Å; A353-S356 PolarHBondContact O-N 3.28Å; A353-S356 PolarHBondContact O-OG 2.75Å; S356-I358 VanDerWaalsContact C-N 3.3Å; S356-I358 PolarHBondContact O-N 2.73Å; S356-T359 PolarHBondContact O-N 3.49Å; S356-T359 PolarHBondContact O-OG1 3.08Å; S356-S360 WeakPolarHBondContact O-CB 3.41Å; S356-S360 PolarHBondContact O-N 3.39Å; S356-S360 PolarHBondContact O-OG 3.3Å; S356-T397 WeakPolarHBondContact CA-OG1 3.43Å; S356-R402 WeakPolarHBondContact OG-CA 3.31Å; S356-R402 WeakPolarHBondContact OG-CB 3.27Å |
| 357 | G | 61.5 | Low | 64.3 | Low | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -31.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A353 A355 L361 S450 | A353-G357 PolarHBondContact O-N 3.3Å; A355-G357 PolarHBondContact O-N 3.06Å; G357-L361 WeakPolarHBondContact O-CD1 3.13Å; G357-S450 WeakPolarHBondContact CA-OG 3.49Å; G357-S450 PolarHBondContact N-OG 3.27Å |
| 358 | I | 65 | Low | 61.3 | Low | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.4 | -42.5 | 175.3 | -57.6 | 172.3 | 0 | 0 | 0 | 110.8 | A355 S356 L361 K362 E447 L486 I490 | A355-I358 PolarHBondContact O-N 3.09Å; S356-I358 VanDerWaalsContact C-N 3.3Å; S356-I358 PolarHBondContact O-N 2.73Å; I358-L361 PolarHBondContact O-N 2.92Å; I358-K362 PolarHBondContact O-N 2.91Å; I358-E447 HydrophobicContact CD1-CG 4.15Å; I358-L486 HydrophobicContact CG2-CD2 4.43Å; I358-I490 HydrophobicContact CG1-CD1 4.06Å |
| 359 | T | 56.8 | Low | 58.6 | Low | 29 Ų | 29 | 46.1 Ų | 46.1 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.4 | -39.4 | 179.1 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | A355 S356 L361 K362 T397 T398 | A355-T359 PolarHBondContact O-N 3.18Å; A355-T359 VanDerWaalsContact O-N 3.17Å; A355-T359 PolarHBondContact O-OG1 3.29Å; S356-T359 PolarHBondContact O-N 3.49Å; S356-T359 PolarHBondContact O-OG1 3.08Å; T359-L361 PolarHBondContact O-N 2.95Å; T359-K362 PolarHBondContact O-N 3.47Å; T359-T397 WeakPolarHBondContact CB-OG1 3.27Å; T359-T397 WeakPolarHBondContact CG2-OG1 3.4Å; T359-T397 WeakPolarHBondContact OG1-CB 3.39Å; T359-T397 PolarHBondContact OG1-OG1 3.12Å; T359-T398 PolarHBondContact OG1-O 3.2Å |
| 360 | S | 51.5 | Low | 55.7 | Low | 40 Ų | 40 | 49.4 Ų | 49.4 | 28% | 0.28 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.5 | -23.9 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | S356 S399 | S356-S360 WeakPolarHBondContact O-CB 3.41Å; S356-S360 PolarHBondContact O-N 3.39Å; S356-S360 PolarHBondContact O-OG 3.3Å; S360-S399 PolarHBondContact OG-O 3.5Å |
| 361 | L | 48.9 | Very low | 52.9 | Low | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -99.3 | -26.4 | 177.4 | -76.4 | 157.6 | 0 | 0 | 0 | 115 | G357 I358 T359 N363 W364 L486 T489 I490 | G357-L361 WeakPolarHBondContact O-CD1 3.13Å; I358-L361 PolarHBondContact O-N 2.92Å; T359-L361 PolarHBondContact O-N 2.95Å; L361-N363 PolarHBondContact O-N 2.6Å; L361-W364 WeakPolarHBondContact O-CB 3.42Å; L361-W364 PolarHBondContact O-N 3.1Å; L361-L486 HydrophobicContact CB-CD1 4.04Å; L361-T489 HydrophobicContact CD2-CG2 3.57Å; L361-I490 HydrophobicContact CD1-CB 4.18Å; L361-I490 HydrophobicContact CD1-CD1 4.37Å; L361-I490 HydrophobicContact CD1-CG1 3.28Å |
| 362 | K | 40.9 | Very low | 50.2 | Low | 88 Ų | 88 | 61.2 Ų | 61.2 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 178.3 | -88.1 | -169.2 | 177.5 | -172.5 | 0 | 113.2 | I358 T359 W364 R365 D391 | I358-K362 PolarHBondContact O-N 2.91Å; T359-K362 PolarHBondContact O-N 3.47Å; K362-W364 PolarHBondContact O-N 3.13Å; K362-W364 VanDerWaalsContact O-N 3.13Å; K362-R365 PolarHBondContact O-N 3.08Å; K362-D391 IonicContact NZ-OD1 2.71Å |
| 363 | N | 39.1 | Very low | 47.4 | Very low | 115 Ų | 115 | 69.1 Ų | 69.1 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -63.1 | -19.2 | 177 | -72.5 | -17.3 | 0 | 0 | 0 | 112.9 | L361 R365 | L361-N363 PolarHBondContact O-N 2.6Å; N363-R365 PolarHBondContact O-N 3.5Å |
| 364 | W | 33.9 | Very low | 44.8 | Very low | 94 Ų | 94 | 74.5 Ų | 74.5 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -69 | -28.7 | -179.7 | -169 | 73.7 | 0 | 0 | 0 | 114.1 | L361 K362 | L361-W364 WeakPolarHBondContact O-CB 3.42Å; L361-W364 PolarHBondContact O-N 3.1Å; K362-W364 PolarHBondContact O-N 3.13Å; K362-W364 VanDerWaalsContact O-N 3.13Å |
| 365 | R | 32.7 | Very low | 42.4 | Very low | 121 Ų | 121 | 80.9 Ų | 80.9 | 46% | 0.457 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -78.1 | -17.1 | -178.3 | -78.4 | -172.4 | 178.1 | 176.4 | 1.8 | 114.5 | K362 N363 S367 | K362-R365 PolarHBondContact O-N 3.08Å; N363-R365 PolarHBondContact O-N 3.5Å; R365-S367 PolarHBondContact O-N 3.31Å |
| 366 | S | 28.9 | Very low | 40.2 | Very low | 59 Ų | 59 | 88.2 Ų | 88.2 | 41% | 0.413 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -76.1 | -16.3 | -165.1 | -130 | 0 | 0 | 0 | 0 | 115.3 | R732 | S366-R732 PolarHBondContact OG-NH2 2.71Š|
| 367 | S | 33.8 | Very low | 38.2 | Very low | 83 Ų | 83 | 93.4 Ų | 93.4 | 58% | 0.58 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -33.4 | -179.1 | -77.9 | 0 | 0 | 0 | 0 | 114.4 | R365 | R365-S367 PolarHBondContact O-N 3.31Š|
| 368 | R | 28.7 | Very low | 36.7 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -85.5 | -35.9 | -167.9 | -147 | -179.9 | -94.6 | -153 | -8.8 | 113.9 | D525 D637 | R368-D525 IonicContact NH1-OD2 3.28Å; R368-D525 PolarHBondContact NH1-OD2 3.35Å; R368-D525 VanDerWaalsContact NH1-OD2 3.13Å; R368-D637 IonicContact NH2-OD2 2.97Å; R368-D637 PolarHBondContact NH2-OD2 3.46Å |
| 369 | I | 30.4 | Very low | 35 | Very low | 104 Ų | 104 | 104.6 Ų | 104.6 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -79.4 | -29.6 | -175.8 | -63.5 | 174.6 | 0 | 0 | 0 | 112.4 | K371 H372 R373 | I369-K371 PolarHBondContact O-N 2.98Å; I369-H372 PolarHBondContact O-N 2.99Å; I369-R373 PolarHBondContact O-N 3.29Å |
| 370 | N | 31.1 | Very low | 33.5 | Very low | 70 Ų | 70 | 109.7 Ų | 109.7 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.5 | -22.4 | -177 | -89.2 | 0.1 | 0 | 0 | 0 | 114.2 | N374 | N370-N374 VanDerWaalsContact O-CG 3.28Å; N370-N374 PolarHBondContact O-N 2.74Å; N370-N374 PolarHBondContact O-ND2 2.92Å |
| 371 | K | 31.4 | Very low | 32.3 | Very low | 173 Ų | 173 | 117.6 Ų | 117.6 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.1 | -37.2 | 174.4 | -108 | -178.7 | 177.7 | 178.4 | 0 | 112.4 | I369 | I369-K371 PolarHBondContact O-N 2.98Å |
| 372 | H | 31.1 | Very low | 31.1 | Very low | 157 Ų | 157 | 125 Ų | 125 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -80.2 | -33.9 | -179.7 | -83.4 | -68.9 | 0 | 0 | 0 | 113.6 | I369 | I369-H372 PolarHBondContact O-N 2.99Å |
| 373 | R | 30.9 | Very low | 30.3 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.6 | -25.7 | 178.6 | -99 | -177.3 | 174.9 | 176.3 | -1.3 | 114.7 | I369 N375 E376 L377 | I369-R373 PolarHBondContact O-N 3.29Å; R373-N375 PolarHBondContact O-N 3.13Å; R373-E376 PolarHBondContact O-N 3.38Å; R373-L377 HydrophobicContact CB-CD1 4.27Å; R373-L377 HydrophobicContact CG-CD1 4.29Å; R373-L377 PolarHBondContact O-N 3.12Å |
| 374 | N | 32.1 | Very low | 29.5 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 60% | 0.599 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -17.9 | -179.5 | -79.2 | -5.8 | 0 | 0 | 0 | 113.7 | N370 | N370-N374 VanDerWaalsContact O-CG 3.28Å; N370-N374 PolarHBondContact O-N 2.74Å; N370-N374 PolarHBondContact O-ND2 2.92Å |
| 375 | N | 33.3 | Very low | 28.9 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -16.5 | 176.7 | -78.7 | -2.6 | 0 | 0 | 0 | 114 | R373 | R373-N375 PolarHBondContact O-N 3.13Š|
| 376 | E | 31.7 | Very low | 28.6 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -7.4 | -177.1 | -72.4 | -174 | 164.6 | 0 | 0 | 114.6 | R373 | R373-E376 PolarHBondContact O-N 3.38Š|
| 377 | L | 28.1 | Very low | 28.3 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 57% | 0.571 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 18.2 | -174.2 | -86.5 | 152 | 0 | 0 | 0 | 115.8 | R373 S379 | R373-L377 HydrophobicContact CB-CD1 4.27Å; R373-L377 HydrophobicContact CG-CD1 4.29Å; R373-L377 PolarHBondContact O-N 3.12Å; L377-S379 PolarHBondContact O-N 3.02Å |
| 378 | I | 30.7 | Very low | 27.8 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -10.3 | 172 | -65.1 | 179.6 | 0 | 0 | 0 | 112.6 | ||
| 379 | S | 28.6 | Very low | 27.6 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -122 | 84.4 | 172.1 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | L377 | L377-S379 PolarHBondContact O-N 3.02Š|
| 380 | N | 26.9 | Very low | 27.6 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 168.8 | 95.4 | 138.3 | -83.3 | -22.4 | 0 | 0 | 0 | 109.6 | H382 | N380-H382 PolarHBondContact O-N 3.12Å; N380-H382 VanDerWaalsContact O-N 3.12Å | ||
| 381 | K | 25.1 | Very low | 27.7 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | trans | -72.3 | 93 | 165 | -72.1 | 179.8 | 177.3 | 179.2 | 0 | 108.3 | ||||
| 382 | H | 24.7 | Very low | 27.8 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | -135.2 | 125.3 | 158 | -86.3 | -66.5 | 0 | 0 | 0 | 110.8 | N380 T384 | N380-H382 PolarHBondContact O-N 3.12Å; N380-H382 VanDerWaalsContact O-N 3.12Å; H382-T384 PolarHBondContact O-N 2.73Å | ||
| 383 | E | 23.6 | Very low | 28.6 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -46.6 | 125.7 | 176.6 | -63.5 | 162.1 | 147.1 | 0 | 0 | 111.4 | ||||
| 384 | T | 22.5 | Very low | 30.1 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -123 | 91.5 | 161 | 27.9 | 0 | 0 | 0 | 0 | 108.5 | H382 | H382-T384 PolarHBondContact O-N 2.73Š| ||
| 385 | S | 21.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | trans | -48.5 | 141.7 | 153 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | Q387 | S385-Q387 PolarHBondContact O-N 2.93Š| ||
| 386 | C | 25.2 | Very low | 33.9 | Very low | 132 Ų | 132 | 123 Ų | 123 | 89% | 0.892 | 67% | 0.672 | S | S | * | * | trans | -28.9 | 115.3 | 176.1 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 387 | Q | 22.2 | Very low | 36.2 | Very low | 170 Ų | 170 | 115.7 Ų | 115.7 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | -116.8 | 118.9 | 168.4 | -75 | -171.8 | -1.2 | 0 | 0 | 110.2 | S385 S389 | S385-Q387 PolarHBondContact O-N 2.93Å; Q387-S389 PolarHBondContact O-N 2.9Å | ||
| 388 | N | 23.7 | Very low | 38.3 | Very low | 161 Ų | 161 | 111.8 Ų | 111.8 | 86% | 0.861 | 62% | 0.62 | S | S | * | * | trans | -44.5 | 106 | 171.8 | -55.8 | -42.8 | 0 | 0 | 0 | 111.8 | ||||
| 389 | S | 24.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 105.9 Ų | 105.9 | 51% | 0.51 | 59% | 0.594 | S | S | . | * | trans | -75.1 | 142.3 | 150.7 | 54 | 0 | 0 | 0 | 0 | 107.9 | Q387 D391 | Q387-S389 PolarHBondContact O-N 2.9Å; S389-D391 PolarHBondContact O-N 3.11Å; S389-D391 PolarHBondContact OG-OD2 3.23Å | ||
| 390 | P | 30.4 | Very low | 41.8 | Very low | 135 Ų | 135 | 106.6 Ų | 106.6 | 88% | 0.877 | 59% | 0.591 | S | S | * | * | trans | -78.7 | 55.8 | 174.6 | 35.1 | -33.1 | 0 | 0 | 0 | 109.2 | G392 | P390-G392 PolarHBondContact O-N 2.84Š| ||
| 391 | D | 32.8 | Very low | 44.3 | Very low | 93 Ų | 93 | 100.1 Ų | 100.1 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | trans | -75.2 | 99.7 | 163.4 | -77.7 | -67.6 | 0 | 0 | 0 | 105.7 | K362 S389 | K362-D391 IonicContact NZ-OD1 2.71Å; S389-D391 PolarHBondContact O-N 3.11Å; S389-D391 PolarHBondContact OG-OD2 3.23Å | ||
| 392 | G | 35.1 | Very low | 47 | Very low | 53 Ų | 53 | 91.2 Ų | 91.2 | 55% | 0.546 | 52% | 0.517 | S | S | . | . | trans | -45.5 | 153 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P390 R394 | P390-G392 PolarHBondContact O-N 2.84Å; G392-R394 VanDerWaalsContact C-N 3.31Å; G392-R394 WeakPolarHBondContact O-CG 3.39Å; G392-R394 PolarHBondContact O-N 3.12Å | ||
| 393 | I | 47.9 | Very low | 49.6 | Very low | 148 Ų | 148 | 88.5 Ų | 88.5 | 76% | 0.759 | 51% | 0.506 | S | S | * | . | trans | -52.1 | 90.3 | -178.2 | -56.3 | 166.3 | 0 | 0 | 0 | 109.3 | Y309 | Y309-I393 HydrophobicContact CD1-CG2 3.76Å; Y309-I393 HydrophobicContact CE1-CG2 4.36Å; Y309-I393 VanDerWaalsContact CE1-O 3.25Å; Y309-I393 WeakPolarHBondContact CE1-O 3.28Å; Y309-I393 HydrophobicContact CG-CG2 3.97Å | ||
| 394 | R | 61.1 | Low | 52.3 | Low | 115 Ų | 115 | 80.9 Ų | 80.9 | 43% | 0.434 | 47% | 0.472 | S | S | . | . | trans | -95.9 | 142.9 | -178.9 | -80 | -178.9 | -175.4 | -169.5 | 4.5 | 110 | G392 A396 | G392-R394 VanDerWaalsContact C-N 3.31Å; G392-R394 WeakPolarHBondContact O-CG 3.39Å; G392-R394 PolarHBondContact O-N 3.12Å; R394-A396 PolarHBondContact O-N 2.91Å | ||
| 395 | L | 74.5 | Confident | 55.5 | Low | 15 Ų | 15 | 74.9 Ų | 74.9 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | trans | -64.8 | 121.2 | 176.4 | -163.3 | 108.5 | 0 | 0 | 0 | 109.5 | N307 Y309 V352 A355 T397 | N307-L395 VanDerWaalsContact C-CD1 3.47Å; N307-L395 WeakPolarHBondContact O-CD1 3.48Å; Y309-L395 HydrophobicContact CD1-CB 4.28Å; Y309-L395 HydrophobicContact CD1-CD1 4.33Å; Y309-L395 HydrophobicContact CE1-CB 4.21Å; Y309-L395 HydrophobicContact CE1-CD1 4.43Å; V352-L395 HydrophobicContact CB-CD2 4.19Å; V352-L395 HydrophobicContact CG1-CD2 4.15Å; V352-L395 HydrophobicContact CG2-CD2 3.84Å; A355-L395 HydrophobicContact CB-CB 3.77Å; A355-L395 HydrophobicContact CB-CD2 3.92Å; A355-L395 HydrophobicContact CB-CG 4.48Å; L395-T397 HydrophobicContact CD2-CG2 3.91Å; L395-T397 PolarHBondContact O-N 3.27Å | ||
| 396 | A | 71.8 | Confident | 58.5 | Low | 44 Ų | 44 | 70.3 Ų | 70.3 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | trans | -86.9 | 100.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P313 R316 R394 | P313-A396 WeakPolarHBondContact CA-O 3.34Å; P313-A396 VanDerWaalsContact CB-O 3.29Å; P313-A396 WeakPolarHBondContact CB-O 3.38Å; P313-A396 HydrophobicContact CG-CB 3.95Å; P313-A396 WeakPolarHBondContact CG-O 3.33Å; R316-A396 PolarHBondContact NH1-O 3.34Å; R394-A396 PolarHBondContact O-N 2.91Å | ||
| 397 | T | 79.2 | Confident | 61.3 | Low | 15 Ų | 15 | 66.4 Ų | 66.4 | 9% | 0.092 | 38% | 0.377 | C | S | . | . | trans | -105 | 167.3 | -177 | 41.9 | 0 | 0 | 0 | 0 | 113.4 | V352 A355 S356 T359 L395 T401 | V352-T397 HydrophobicContact CG1-CG2 4.27Å; A355-T397 HydrophobicContact CB-CG2 4.02Å; A355-T397 PolarHBondContact O-OG1 3.12Å; S356-T397 WeakPolarHBondContact CA-OG1 3.43Å; T359-T397 WeakPolarHBondContact CB-OG1 3.27Å; T359-T397 WeakPolarHBondContact CG2-OG1 3.4Å; T359-T397 WeakPolarHBondContact OG1-CB 3.39Å; T359-T397 PolarHBondContact OG1-OG1 3.12Å; L395-T397 HydrophobicContact CD2-CG2 3.91Å; L395-T397 PolarHBondContact O-N 3.27Å; T397-T401 HydrophobicContact CG2-CG2 3.84Å | ||
| 398 | T | 72.9 | Confident | 64.4 | Low | 27 Ų | 27 | 58.4 Ų | 58.4 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | trans | -99.7 | -178.5 | 172 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | P313 D317 T359 D400 T401 | P313-T398 HydrophobicContact CB-CG2 3.47Å; P313-T398 VanDerWaalsContact CB-CG2 3.47Å; D317-T398 VanDerWaalsContact OD2-CB 3.26Å; D317-T398 WeakPolarHBondContact OD2-CB 3.37Å; D317-T398 WeakPolarHBondContact OD2-CG2 3.19Å; D317-T398 PolarHBondContact OD2-OG1 3.06Å; T359-T398 PolarHBondContact OG1-O 3.2Å; T398-D400 PolarHBondContact O-N 2.99Å; T398-D400 PolarHBondContact OG1-N 2.85Å; T398-T401 PolarHBondContact N-OG1 3.28Å; T398-T401 PolarHBondContact OG1-N 3.29Å; T398-T401 PolarHBondContact OG1-OG1 3.32Å; T398-T401 VanDerWaalsContact OG1-OG1 3.09Å | ||
| 399 | S | 63.6 | Low | 67.7 | Low | 41 Ų | 41 | 50.8 Ų | 50.8 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -64.3 | -30.5 | 171.6 | 48.1 | 0 | 0 | 0 | 0 | 112.9 | S360 | S360-S399 PolarHBondContact OG-O 3.5Š|
| 400 | D | 68.1 | Low | 70.7 | Confident | 101 Ų | 101 | 48 Ų | 48 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -95.6 | -16.4 | -167.1 | -52.4 | -20.4 | 0 | 0 | 0 | 111.7 | T398 R402 M403 T404 | T398-D400 PolarHBondContact O-N 2.99Å; T398-D400 PolarHBondContact OG1-N 2.85Å; D400-R402 PolarHBondContact O-N 2.96Å; D400-M403 PolarHBondContact O-N 3.08Å; D400-M403 VanDerWaalsContact O-N 3.16Å; D400-T404 PolarHBondContact O-N 3.31Å; D400-T404 PolarHBondContact O-OG1 3.12Å |
| 401 | T | 79.5 | Confident | 73.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.5 | -44.2 | 177.7 | -50 | 0 | 0 | 0 | 0 | 111.4 | D317 L320 V352 T397 T398 M403 T404 V405 | D317-T401 WeakPolarHBondContact OD1-CA 3.34Å; D317-T401 VanDerWaalsContact OD1-CB 3.32Å; D317-T401 WeakPolarHBondContact OD1-CB 3.32Å; D317-T401 PolarHBondContact OD1-OG1 3.48Å; L320-T401 HydrophobicContact CD1-CG2 3.83Å; V352-T401 HydrophobicContact CG1-CG2 3.61Å; T397-T401 HydrophobicContact CG2-CG2 3.84Å; T398-T401 PolarHBondContact N-OG1 3.28Å; T398-T401 PolarHBondContact OG1-N 3.29Å; T398-T401 PolarHBondContact OG1-OG1 3.32Å; T398-T401 VanDerWaalsContact OG1-OG1 3.09Å; T401-M403 PolarHBondContact O-N 2.98Å; T401-T404 PolarHBondContact O-N 3.49Å; T401-V405 HydrophobicContact CG2-CG2 4.13Å; T401-V405 VanDerWaalsContact O-CG2 3.31Å; T401-V405 WeakPolarHBondContact O-CG2 3.45Å; T401-V405 PolarHBondContact O-N 3Å |
| 402 | R | 81.7 | Confident | 76.2 | Confident | 18 Ų | 18 | 38.7 Ų | 38.7 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | -178.2 | -171.8 | 177.6 | 177.4 | -170 | -5.9 | 112 | S356 D400 A406 G453 T454 L457 D493 | S356-R402 WeakPolarHBondContact OG-CA 3.31Å; S356-R402 WeakPolarHBondContact OG-CB 3.27Å; D400-R402 PolarHBondContact O-N 2.96Å; R402-A406 WeakPolarHBondContact O-CB 3.29Å; R402-A406 PolarHBondContact O-N 3.04Å; R402-G453 PolarHBondContact NH2-O 3.01Å; R402-T454 HydrophobicContact CG-CG2 4.2Å; R402-T454 WeakPolarHBondContact CG-OG1 3.48Å; R402-T454 PolarHBondContact NE-OG1 3.38Å; R402-L457 HydrophobicContact CG-CD1 4.38Å; R402-D493 IonicContact CZ-OD2 2.61Å; R402-D493 IonicContact NH1-OD2 3.22Å; R402-D493 PolarHBondContact NH1-OD2 3.47Å |
| 403 | M | 80 | Confident | 78.7 | Confident | 109 Ų | 109 | 36.9 Ų | 36.9 | 54% | 0.537 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.4 | -39.2 | -179.8 | -172.7 | 59.7 | 70.5 | 0 | 0 | 111.6 | D400 T401 A406 C407 L457 | D400-M403 PolarHBondContact O-N 3.08Å; D400-M403 VanDerWaalsContact O-N 3.16Å; T401-M403 PolarHBondContact O-N 2.98Å; M403-A406 PolarHBondContact O-N 3.28Å; M403-C407 WeakPolarHBondContact O-CB 3.4Å; M403-C407 PolarHBondContact O-N 3.36Å; M403-L457 HydrophobicContact CE-CD1 4.3Å; M403-L457 HydrophobicContact CE-CD2 4.37Å |
| 404 | T | 80.8 | Confident | 80.6 | Confident | 26 Ų | 26 | 34.7 Ų | 34.7 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 179.6 | -46.6 | 0 | 0 | 0 | 0 | 111.4 | L320 E321 V324 D400 T401 C407 L408 | L320-T404 HydrophobicContact CB-CG2 3.58Å; E321-T404 HydrophobicContact CG-CG2 4.35Å; V324-T404 HydrophobicContact CG2-CG2 4.22Å; D400-T404 PolarHBondContact O-N 3.31Å; D400-T404 PolarHBondContact O-OG1 3.12Å; T401-T404 PolarHBondContact O-N 3.49Å; T404-C407 PolarHBondContact O-N 2.89Å; T404-L408 PolarHBondContact O-N 3.25Å |
| 405 | V | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 173.3 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L320 V352 A353 T401 C407 L408 L409 T454 | L320-V405 HydrophobicContact CD1-CG2 3.63Å; L320-V405 HydrophobicContact CD2-CG2 4.04Å; L320-V405 HydrophobicContact CG-CG2 4.5Å; V352-V405 HydrophobicContact CB-CG2 4.38Å; V352-V405 HydrophobicContact CG1-CG2 3.83Å; A353-V405 HydrophobicContact CB-CG1 4.22Å; T401-V405 HydrophobicContact CG2-CG2 4.13Å; T401-V405 VanDerWaalsContact O-CG2 3.31Å; T401-V405 WeakPolarHBondContact O-CG2 3.45Å; T401-V405 PolarHBondContact O-N 3Å; V405-C407 VanDerWaalsContact C-N 3.3Å; V405-C407 PolarHBondContact O-N 3.44Å; V405-L408 PolarHBondContact O-N 3.08Å; V405-L408 VanDerWaalsContact O-N 3.15Å; V405-L409 HydrophobicContact CG1-CD1 3.84Å; V405-L409 HydrophobicContact CG1-CG 4.24Å; V405-L409 WeakPolarHBondContact O-CG 3.42Å; V405-L409 PolarHBondContact O-N 2.96Å; V405-T454 HydrophobicContact CG1-CG2 4.29Å |
| 406 | A | 85.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.3 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R402 M403 L409 A410 T454 L457 G458 | R402-A406 WeakPolarHBondContact O-CB 3.29Å; R402-A406 PolarHBondContact O-N 3.04Å; M403-A406 PolarHBondContact O-N 3.28Å; A406-L409 PolarHBondContact O-N 3.31Å; A406-A410 WeakPolarHBondContact O-CB 3.43Å; A406-A410 PolarHBondContact O-N 3.21Å; A406-T454 HydrophobicContact CB-CG2 3.92Å; A406-T454 WeakPolarHBondContact CB-O 3.43Å; A406-L457 HydrophobicContact CB-CB 3.83Å; A406-G458 WeakPolarHBondContact O-CA 3.1Å |
| 407 | C | 84.7 | Confident | 82.9 | Confident | 51 Ų | 51 | 32.7 Ų | 32.7 | 35% | 0.345 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | M403 T404 V405 K411 | M403-C407 WeakPolarHBondContact O-CB 3.4Å; M403-C407 PolarHBondContact O-N 3.36Å; T404-C407 PolarHBondContact O-N 2.89Å; V405-C407 VanDerWaalsContact C-N 3.3Å; V405-C407 PolarHBondContact O-N 3.44Å; C407-K411 WeakPolarHBondContact O-CB 3.47Å; C407-K411 VanDerWaalsContact O-CG 3.27Å; C407-K411 WeakPolarHBondContact O-CG 3.35Å; C407-K411 PolarHBondContact O-N 3.06Å; C407-K411 VanDerWaalsContact O-N 3.07Å |
| 408 | L | 87.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 177 | -176.9 | 56.5 | 0 | 0 | 0 | 111.8 | L320 L323 V324 L349 T404 V405 A410 K411 I412 | L320-L408 HydrophobicContact CD2-CD2 4.1Å; L323-L408 HydrophobicContact CB-CD1 4.09Å; L323-L408 HydrophobicContact CB-CD2 3.84Å; L323-L408 HydrophobicContact CD1-CD2 4.11Å; V324-L408 HydrophobicContact CG2-CB 3.68Å; V324-L408 HydrophobicContact CG2-CD1 4.13Å; V324-L408 HydrophobicContact CG2-CG 4.4Å; L349-L408 HydrophobicContact CD1-CD2 3.91Å; L349-L408 HydrophobicContact CD1-CG 4.29Å; L349-L408 HydrophobicContact CD2-CD2 3.87Å; T404-L408 PolarHBondContact O-N 3.25Å; V405-L408 PolarHBondContact O-N 3.08Å; V405-L408 VanDerWaalsContact O-N 3.15Å; L408-A410 VanDerWaalsContact C-N 3.34Å; L408-A410 PolarHBondContact O-N 3.22Å; L408-K411 PolarHBondContact O-N 3.5Å; L408-I412 HydrophobicContact CD1-CD1 4.07Å; L408-I412 HydrophobicContact CD1-CG1 4.35Å; L408-I412 HydrophobicContact CG-CD1 3.97Å; L408-I412 VanDerWaalsContact O-CG1 3.32Å; L408-I412 WeakPolarHBondContact O-CG1 3.39Å; L408-I412 PolarHBondContact O-N 3.28Å |
| 409 | L | 91.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 178.1 | -70.4 | 173.7 | 0 | 0 | 0 | 111.5 | I346 L349 L350 V405 A406 I412 W413 Y425 L455 P459 | I346-L409 HydrophobicContact CD1-CD2 4.48Å; L349-L409 HydrophobicContact CB-CD2 4.01Å; L349-L409 HydrophobicContact CD1-CD2 3.86Å; L350-L409 HydrophobicContact CD2-CD1 4.11Å; V405-L409 HydrophobicContact CG1-CD1 3.84Å; V405-L409 HydrophobicContact CG1-CG 4.24Å; V405-L409 WeakPolarHBondContact O-CG 3.42Å; V405-L409 PolarHBondContact O-N 2.96Å; A406-L409 PolarHBondContact O-N 3.31Å; L409-I412 PolarHBondContact O-N 3.1Å; L409-W413 WeakPolarHBondContact O-CB 3.25Å; L409-W413 PolarHBondContact O-N 3.28Å; L409-Y425 WeakPolarHBondContact CB-OH 3.21Å; L409-Y425 VanDerWaalsContact CD2-OH 3.26Å; L409-Y425 WeakPolarHBondContact CD2-OH 3.48Å; L409-Y425 PolarHBondContact O-OH 2.65Å; L409-L455 HydrophobicContact CD1-CD2 4.27Å; L409-P459 HydrophobicContact CB-CG 4.18Å |
| 410 | A | 88.3 | Confident | 85 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 13% | 0.132 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A406 L408 I412 W413 D414 | A406-A410 WeakPolarHBondContact O-CB 3.43Å; A406-A410 PolarHBondContact O-N 3.21Å; L408-A410 VanDerWaalsContact C-N 3.34Å; L408-A410 PolarHBondContact O-N 3.22Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.35Å; A410-W413 WeakPolarHBondContact O-CB 3.35Å; A410-W413 PolarHBondContact O-N 3.49Å; A410-D414 WeakPolarHBondContact O-CB 3.44Å; A410-D414 PolarHBondContact O-N 3.06Å |
| 411 | K | 87.8 | Confident | 86 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 14% | 0.135 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -35.7 | -179.7 | -72.4 | 170.4 | 129.5 | -162.4 | 0 | 113.1 | V324 P328 C407 L408 D415 | V324-K411 HydrophobicContact CG1-CD 4.01Å; V324-K411 PolarHBondContact O-NZ 2.84Å; P328-K411 HydrophobicContact CB-CB 4.03Å; P328-K411 HydrophobicContact CB-CD 4.32Å; P328-K411 HydrophobicContact CB-CG 4.49Å; P328-K411 HydrophobicContact CG-CB 3.66Å; P328-K411 HydrophobicContact CG-CD 3.66Å; P328-K411 HydrophobicContact CG-CG 4.16Å; C407-K411 WeakPolarHBondContact O-CB 3.47Å; C407-K411 VanDerWaalsContact O-CG 3.27Å; C407-K411 WeakPolarHBondContact O-CG 3.35Å; C407-K411 PolarHBondContact O-N 3.06Å; C407-K411 VanDerWaalsContact O-N 3.07Å; L408-K411 PolarHBondContact O-N 3.5Å; K411-D415 VanDerWaalsContact O-CG 3.29Å; K411-D415 PolarHBondContact O-N 3.47Å |
| 412 | I | 89.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 173.3 | -68.1 | 167.2 | 0 | 0 | 0 | 109.6 | V327 I346 L349 L408 L409 A410 D415 L416 Y425 | V327-I412 HydrophobicContact CG1-CG1 4.42Å; I346-I412 HydrophobicContact CD1-CG2 4.47Å; L349-I412 HydrophobicContact CD1-CD1 4.19Å; L408-I412 HydrophobicContact CD1-CD1 4.07Å; L408-I412 HydrophobicContact CD1-CG1 4.35Å; L408-I412 HydrophobicContact CG-CD1 3.97Å; L408-I412 VanDerWaalsContact O-CG1 3.32Å; L408-I412 WeakPolarHBondContact O-CG1 3.39Å; L408-I412 PolarHBondContact O-N 3.28Å; L409-I412 PolarHBondContact O-N 3.1Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.35Å; I412-D415 PolarHBondContact O-N 3.13Å; I412-L416 WeakPolarHBondContact O-CG 3.4Å; I412-L416 PolarHBondContact O-N 2.85Å; I412-Y425 HydrophobicContact CG2-CD2 4.4Å; I412-Y425 HydrophobicContact CG2-CE2 3.94Å |
| 413 | W | 89 | Confident | 86.8 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 177.1 | 173.9 | -102 | 0 | 0 | 0 | 112.8 | L409 A410 D415 L416 R422 Y425 T426 P459 E461 V462 | L409-W413 WeakPolarHBondContact O-CB 3.25Å; L409-W413 PolarHBondContact O-N 3.28Å; A410-W413 WeakPolarHBondContact O-CB 3.35Å; A410-W413 PolarHBondContact O-N 3.49Å; W413-D415 PolarHBondContact O-N 3.37Å; W413-L416 WeakPolarHBondContact O-CB 3.42Å; W413-L416 PolarHBondContact O-N 3.18Å; W413-R422 HydrophobicContact CE3-CG 4.3Å; W413-R422 HydrophobicContact CH2-CB 3.48Å; W413-R422 VanDerWaalsContact CH2-CB 3.48Å; W413-R422 HydrophobicContact CH2-CG 3.83Å; W413-R422 HydrophobicContact CZ2-CB 4.15Å; W413-R422 HydrophobicContact CZ2-CG 4.09Å; W413-R422 HydrophobicContact CZ3-CB 3.7Å; W413-R422 HydrophobicContact CZ3-CG 3.94Å; W413-R422 WeakPolarHBondContact CZ3-O 3.06Å; W413-Y425 HydrophobicContact CD2-CD1 4.46Å; W413-Y425 AromaticContact CE3-CD1 3.34Å; W413-Y425 HydrophobicContact CE3-CD1 3.34Å; W413-Y425 AromaticContact CE3-CE1 3.86Å; W413-Y425 HydrophobicContact CE3-CE1 3.86Å; W413-Y425 AromaticContact CE3-CG 3.78Å; W413-Y425 HydrophobicContact CE3-CG 3.78Å; W413-Y425 AromaticContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CE1 4.47Å; W413-Y425 HydrophobicContact CZ3-CG 4.08Å; W413-T426 WeakPolarHBondContact CH2-OG1 3.21Å; W413-T426 VanDerWaalsContact CZ3-OG1 3.31Å; W413-T426 WeakPolarHBondContact CZ3-OG1 3.42Å; W413-P459 HydrophobicContact CB-CB 3.91Å; W413-P459 HydrophobicContact CG-CB 3.92Å; W413-E461 HydrophobicContact CZ2-CB 4.43Å; W413-E461 PolarHBondContact NE1-OE2 3.46Å; W413-V462 HydrophobicContact CD2-CG2 3.9Å; W413-V462 HydrophobicContact CE3-CG2 3.71Å; W413-V462 HydrophobicContact CH2-CG2 3.74Å; W413-V462 HydrophobicContact CZ2-CG2 3.98Å; W413-V462 HydrophobicContact CZ3-CG2 3.59Å |
| 414 | D | 87.1 | Confident | 87.3 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 54% | 0.54 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.7 | -34 | -177.6 | -67.1 | -21.1 | 0 | 0 | 0 | 111.9 | A410 L416 | A410-D414 WeakPolarHBondContact O-CB 3.44Å; A410-D414 PolarHBondContact O-N 3.06Å; D414-L416 VanDerWaalsContact C-N 3.35Å |
| 415 | D | 86.8 | Confident | 87.8 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.8 | -16.4 | 177.6 | -76.3 | -17.1 | 0 | 0 | 0 | 114.3 | P328 S329 S336 K411 I412 W413 T417 | P328-D415 VanDerWaalsContact CA-OD2 3.24Å; P328-D415 WeakPolarHBondContact CA-OD2 3.33Å; S329-D415 VanDerWaalsContact CB-OD1 3.23Å; S329-D415 WeakPolarHBondContact CB-OD1 3.39Å; S329-D415 PolarHBondContact N-OD1 3.48Å; S329-D415 PolarHBondContact N-OD2 2.96Å; S329-D415 PolarHBondContact OG-OD1 3.49Å; S336-D415 VanDerWaalsContact CB-CB 3.49Å; S336-D415 WeakPolarHBondContact CB-OD2 3.02Å; S336-D415 PolarHBondContact OG-OD2 3.18Å; K411-D415 VanDerWaalsContact O-CG 3.29Å; K411-D415 PolarHBondContact O-N 3.47Å; I412-D415 PolarHBondContact O-N 3.13Å; W413-D415 PolarHBondContact O-N 3.37Å; D415-T417 PolarHBondContact O-N 3.11Å |
| 416 | L | 86.9 | Confident | 88 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | trans | -75.6 | 104.9 | 173.9 | -61.3 | 178.5 | 0 | 0 | 0 | 108.3 | Q337 F340 I412 W413 D414 R422 Y425 | Q337-L416 HydrophobicContact CG-CD2 4.27Å; F340-L416 HydrophobicContact CB-CD2 4.34Å; F340-L416 HydrophobicContact CD1-CD2 4.08Å; F340-L416 HydrophobicContact CD2-CD1 4.47Å; F340-L416 HydrophobicContact CE2-CD1 4.49Å; F340-L416 HydrophobicContact CG-CD2 4.16Å; I412-L416 WeakPolarHBondContact O-CG 3.4Å; I412-L416 PolarHBondContact O-N 2.85Å; W413-L416 WeakPolarHBondContact O-CB 3.42Å; W413-L416 PolarHBondContact O-N 3.18Å; D414-L416 VanDerWaalsContact C-N 3.35Å; L416-R422 HydrophobicContact CB-CG 3.9Å; L416-R422 VanDerWaalsContact O-CZ 3.3Å; L416-R422 PolarHBondContact O-NE 2.85Å; L416-R422 PolarHBondContact O-NH2 2.65Å; L416-Y425 HydrophobicContact CD1-CD2 3.87Å; L416-Y425 HydrophobicContact CD1-CG 4.03Å | ||
| 417 | T | 83.3 | Confident | 88.3 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 68% | 0.675 | 29% | 0.289 | S | S | * | . | trans | -90.5 | -16 | -178.4 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | D415 | D415-T417 PolarHBondContact O-N 3.11Š| ||
| 418 | S | 85.7 | Confident | 88.6 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -92.5 | 127.6 | -179.3 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | K420 S421 R422 | S418-K420 PolarHBondContact O-N 3.26Å; S418-S421 PolarHBondContact O-N 3.35Å; S418-R422 PolarHBondContact O-N 3.17Å |
| 419 | D | 86.1 | Confident | 88.8 | Confident | 115 Ų | 115 | 55 Ų | 55 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -52.8 | -45.1 | 175.4 | -61.1 | -24.2 | 0 | 0 | 0 | 111.1 | S421 R422 D423 | D419-S421 VanDerWaalsContact C-N 3.28Å; D419-S421 PolarHBondContact O-N 2.88Å; D419-R422 CarbonylContact O-C 3.56Å; D419-R422 WeakPolarHBondContact O-CA 3.43Å; D419-R422 WeakPolarHBondContact O-CB 3.3Å; D419-R422 PolarHBondContact O-N 3.28Å; D419-D423 VanDerWaalsContact O-CG 3.27Å; D419-D423 PolarHBondContact O-N 3.27Å |
| 420 | K | 87.7 | Confident | 88.7 | Confident | 160 Ų | 160 | 58 Ų | 58 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -53.1 | -40.4 | 174.4 | -173.8 | 179.3 | 178.2 | -178.7 | 0 | 114.2 | S418 E424 | S418-K420 PolarHBondContact O-N 3.26Å; K420-E424 WeakPolarHBondContact O-CB 3.33Å; K420-E424 PolarHBondContact O-N 3.17Å |
| 421 | S | 87.4 | Confident | 88.9 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76.5 | -33.8 | 179.4 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | S418 D419 E424 Y425 | S418-S421 PolarHBondContact O-N 3.35Å; D419-S421 VanDerWaalsContact C-N 3.28Å; D419-S421 PolarHBondContact O-N 2.88Å; S421-E424 PolarHBondContact O-N 3.27Å; S421-Y425 WeakPolarHBondContact O-CB 3.36Å; S421-Y425 PolarHBondContact O-N 3.49Å |
| 422 | R | 89.8 | Confident | 89.1 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 171 | -75.4 | -174.7 | 176.2 | 178.8 | -3.2 | 111.3 | W413 L416 S418 D419 Y425 T426 | W413-R422 HydrophobicContact CE3-CG 4.3Å; W413-R422 HydrophobicContact CH2-CB 3.48Å; W413-R422 VanDerWaalsContact CH2-CB 3.48Å; W413-R422 HydrophobicContact CH2-CG 3.83Å; W413-R422 HydrophobicContact CZ2-CB 4.15Å; W413-R422 HydrophobicContact CZ2-CG 4.09Å; W413-R422 HydrophobicContact CZ3-CB 3.7Å; W413-R422 HydrophobicContact CZ3-CG 3.94Å; W413-R422 WeakPolarHBondContact CZ3-O 3.06Å; L416-R422 HydrophobicContact CB-CG 3.9Å; L416-R422 VanDerWaalsContact O-CZ 3.3Å; L416-R422 PolarHBondContact O-NE 2.85Å; L416-R422 PolarHBondContact O-NH2 2.65Å; S418-R422 PolarHBondContact O-N 3.17Å; D419-R422 CarbonylContact O-C 3.56Å; D419-R422 WeakPolarHBondContact O-CA 3.43Å; D419-R422 WeakPolarHBondContact O-CB 3.3Å; D419-R422 PolarHBondContact O-N 3.28Å; R422-Y425 PolarHBondContact O-N 3.36Å; R422-T426 WeakPolarHBondContact O-CB 3.23Å; R422-T426 PolarHBondContact O-N 2.82Å; R422-T426 PolarHBondContact O-OG1 3.17Å |
| 423 | D | 89.2 | Confident | 89 | Confident | 108 Ų | 108 | 60.2 Ų | 60.2 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 174.7 | -67.3 | -24.1 | 0 | 0 | 0 | 111.2 | D419 T426 K427 | D419-D423 VanDerWaalsContact O-CG 3.27Å; D419-D423 PolarHBondContact O-N 3.27Å; D423-T426 PolarHBondContact O-N 3.17Å; D423-K427 VanDerWaalsContact O-CB 3.23Å; D423-K427 WeakPolarHBondContact O-CB 3.44Å; D423-K427 PolarHBondContact O-N 3.08Å |
| 424 | E | 90.2 | Very high | 89 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.3 | -172.6 | 173.8 | -160.3 | 0 | 0 | 111.9 | F340 K420 S421 K427 I428 | F340-E424 HydrophobicContact CE1-CB 4.4Å; F340-E424 HydrophobicContact CE1-CG 4.3Å; F340-E424 HydrophobicContact CZ-CB 4Å; F340-E424 HydrophobicContact CZ-CG 3.88Å; K420-E424 WeakPolarHBondContact O-CB 3.33Å; K420-E424 PolarHBondContact O-N 3.17Å; S421-E424 PolarHBondContact O-N 3.27Å; E424-K427 WeakPolarHBondContact O-CB 3.39Å; E424-K427 PolarHBondContact O-N 3.24Å; E424-I428 HydrophobicContact CG-CD1 4.34Å; E424-I428 VanDerWaalsContact O-CG1 3.31Å; E424-I428 WeakPolarHBondContact O-CG1 3.48Å; E424-I428 PolarHBondContact O-N 3.32Å |
| 425 | Y | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.4 | -178.3 | -76.2 | 0 | 0 | 0 | 111.9 | F340 I346 L409 I412 W413 L416 S421 R422 K427 I428 C429 V462 | F340-Y425 AromaticContact CD2-CD2 3.91Å; F340-Y425 HydrophobicContact CD2-CD2 3.91Å; F340-Y425 AromaticContact CE2-CD2 3.67Å; F340-Y425 HydrophobicContact CE2-CD2 3.67Å; F340-Y425 HydrophobicContact CE2-CG 4.14Å; I346-Y425 HydrophobicContact CD1-CD2 4.14Å; I346-Y425 HydrophobicContact CD1-CE2 3.6Å; I346-Y425 HydrophobicContact CG1-CD2 4.34Å; I346-Y425 HydrophobicContact CG1-CE2 4.19Å; L409-Y425 WeakPolarHBondContact CB-OH 3.21Å; L409-Y425 VanDerWaalsContact CD2-OH 3.26Å; L409-Y425 WeakPolarHBondContact CD2-OH 3.48Å; L409-Y425 PolarHBondContact O-OH 2.65Å; I412-Y425 HydrophobicContact CG2-CD2 4.4Å; I412-Y425 HydrophobicContact CG2-CE2 3.94Å; W413-Y425 HydrophobicContact CD2-CD1 4.46Å; W413-Y425 AromaticContact CE3-CD1 3.34Å; W413-Y425 HydrophobicContact CE3-CD1 3.34Å; W413-Y425 AromaticContact CE3-CE1 3.86Å; W413-Y425 HydrophobicContact CE3-CE1 3.86Å; W413-Y425 AromaticContact CE3-CG 3.78Å; W413-Y425 HydrophobicContact CE3-CG 3.78Å; W413-Y425 AromaticContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CD1 3.63Å; W413-Y425 HydrophobicContact CZ3-CE1 4.47Å; W413-Y425 HydrophobicContact CZ3-CG 4.08Å; L416-Y425 HydrophobicContact CD1-CD2 3.87Å; L416-Y425 HydrophobicContact CD1-CG 4.03Å; S421-Y425 WeakPolarHBondContact O-CB 3.36Å; S421-Y425 PolarHBondContact O-N 3.49Å; R422-Y425 PolarHBondContact O-N 3.36Å; Y425-K427 VanDerWaalsContact C-N 3.3Å; Y425-K427 PolarHBondContact O-N 3.24Å; Y425-I428 PolarHBondContact O-N 2.98Å; Y425-C429 VanDerWaalsContact CE1-SG 3.59Å; Y425-C429 PolarHBondContact O-N 3.33Å; Y425-C429 VanDerWaalsContact O-N 3.11Å; Y425-C429 PolarHBondContact O-SG 2.66Å; Y425-V462 HydrophobicContact CD1-CG2 4.12Å; Y425-V462 HydrophobicContact CE1-CG2 4.1Å |
| 426 | T | 91.1 | Very high | 89.1 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 110.7 | W413 R422 D423 C429 K430 V462 | W413-T426 WeakPolarHBondContact CH2-OG1 3.21Å; W413-T426 VanDerWaalsContact CZ3-OG1 3.31Å; W413-T426 WeakPolarHBondContact CZ3-OG1 3.42Å; R422-T426 WeakPolarHBondContact O-CB 3.23Å; R422-T426 PolarHBondContact O-N 2.82Å; R422-T426 PolarHBondContact O-OG1 3.17Å; D423-T426 PolarHBondContact O-N 3.17Å; T426-C429 PolarHBondContact O-N 3.23Å; T426-K430 VanDerWaalsContact O-CB 3.25Å; T426-K430 WeakPolarHBondContact O-CB 3.43Å; T426-K430 PolarHBondContact O-N 3.39Å; T426-V462 HydrophobicContact CG2-CG1 4.38Å |
| 427 | K | 91.5 | Very high | 88.9 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 176.5 | -173.5 | -175.5 | 175.6 | -168.2 | 0 | 111.7 | D423 E424 Y425 C429 K430 D431 | D423-K427 VanDerWaalsContact O-CB 3.23Å; D423-K427 WeakPolarHBondContact O-CB 3.44Å; D423-K427 PolarHBondContact O-N 3.08Å; E424-K427 WeakPolarHBondContact O-CB 3.39Å; E424-K427 PolarHBondContact O-N 3.24Å; Y425-K427 VanDerWaalsContact C-N 3.3Å; Y425-K427 PolarHBondContact O-N 3.24Å; K427-C429 VanDerWaalsContact C-N 3.34Å; K427-C429 PolarHBondContact O-N 2.93Å; K427-K430 WeakPolarHBondContact O-CB 3.48Å; K427-K430 PolarHBondContact O-N 3.27Å; K427-K430 VanDerWaalsContact O-N 3.16Å; K427-D431 WeakPolarHBondContact CE-OD2 3.48Å; K427-D431 WeakPolarHBondContact CG-OD2 3.49Å; K427-D431 WeakPolarHBondContact O-CB 3.43Å; K427-D431 VanDerWaalsContact O-CG 3.27Å; K427-D431 PolarHBondContact O-N 3.47Å |
| 428 | I | 91.6 | Very high | 89.1 | Confident | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 176.8 | -67.7 | 161.8 | 0 | 0 | 0 | 110.6 | F340 I346 E424 Y425 K430 D431 F432 | F340-I428 HydrophobicContact CE2-CD1 3.99Å; F340-I428 HydrophobicContact CZ-CD1 4.2Å; I346-I428 HydrophobicContact CB-CG2 4.05Å; I346-I428 HydrophobicContact CG2-CG2 3.89Å; E424-I428 HydrophobicContact CG-CD1 4.34Å; E424-I428 VanDerWaalsContact O-CG1 3.31Å; E424-I428 WeakPolarHBondContact O-CG1 3.48Å; E424-I428 PolarHBondContact O-N 3.32Å; Y425-I428 PolarHBondContact O-N 2.98Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 3.18Å; I428-D431 PolarHBondContact O-N 3.48Å; I428-F432 WeakPolarHBondContact O-CB 3.32Å; I428-F432 PolarHBondContact O-N 3.43Å; I428-F432 VanDerWaalsContact O-N 3.07Å |
| 429 | C | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.4 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | Y425 T426 K427 I433 L455 V462 I466 | Y425-C429 VanDerWaalsContact CE1-SG 3.59Å; Y425-C429 PolarHBondContact O-N 3.33Å; Y425-C429 VanDerWaalsContact O-N 3.11Å; Y425-C429 PolarHBondContact O-SG 2.66Å; T426-C429 PolarHBondContact O-N 3.23Å; K427-C429 VanDerWaalsContact C-N 3.34Å; K427-C429 PolarHBondContact O-N 2.93Å; C429-I433 WeakPolarHBondContact O-CD1 3.32Å; C429-I433 WeakPolarHBondContact O-CG1 3.48Å; C429-I433 PolarHBondContact O-N 3.18Å; C429-L455 HydrophobicContact CB-CD1 4.41Å; C429-V462 HydrophobicContact CB-CG1 3.86Å; C429-I466 HydrophobicContact CB-CD1 3.93Å |
| 430 | K | 90.1 | Very high | 88.7 | Confident | 62 Ų | 62 | 67 Ų | 67 | 27% | 0.27 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -50.9 | 178.9 | 179.4 | -178.7 | -180 | 174.7 | 0 | 111.5 | T426 K427 I428 F432 I433 I434 I466 | T426-K430 VanDerWaalsContact O-CB 3.25Å; T426-K430 WeakPolarHBondContact O-CB 3.43Å; T426-K430 PolarHBondContact O-N 3.39Å; K427-K430 WeakPolarHBondContact O-CB 3.48Å; K427-K430 PolarHBondContact O-N 3.27Å; K427-K430 VanDerWaalsContact O-N 3.16Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 3.18Å; K430-F432 VanDerWaalsContact C-N 3.32Å; K430-F432 PolarHBondContact O-N 3.14Å; K430-I433 PolarHBondContact O-N 3.37Å; K430-I434 HydrophobicContact CD-CD1 4.25Å; K430-I434 HydrophobicContact CG-CD1 3.66Å; K430-I434 HydrophobicContact CG-CG1 4.34Å; K430-I434 WeakPolarHBondContact O-CG1 3.49Å; K430-I434 PolarHBondContact O-N 2.92Å; K430-I466 HydrophobicContact CB-CD1 4.45Å; K430-I466 HydrophobicContact CB-CG1 4.37Å |
| 431 | D | 91.4 | Very high | 88.3 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | -178 | -68.5 | -11.7 | 0 | 0 | 0 | 109.7 | K427 I428 I433 I434 E435 | K427-D431 WeakPolarHBondContact CE-OD2 3.48Å; K427-D431 WeakPolarHBondContact CG-OD2 3.49Å; K427-D431 WeakPolarHBondContact O-CB 3.43Å; K427-D431 VanDerWaalsContact O-CG 3.27Å; K427-D431 PolarHBondContact O-N 3.47Å; I428-D431 PolarHBondContact O-N 3.48Å; D431-I433 PolarHBondContact O-N 3.31Å; D431-I434 PolarHBondContact O-N 3.06Å; D431-E435 WeakPolarHBondContact O-CB 3.42Å; D431-E435 WeakPolarHBondContact O-CG 3.37Å; D431-E435 PolarHBondContact O-N 3.28Å |
| 432 | F | 91.2 | Very high | 87.9 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 174.8 | -172 | -89.4 | 0 | 0 | 0 | 113.2 | D347 L350 E351 I428 K430 L436 V451 | D347-F432 HydrophobicContact CB-CD2 4.4Å; D347-F432 HydrophobicContact CB-CE2 4.43Å; L350-F432 HydrophobicContact CB-CD1 3.86Å; L350-F432 HydrophobicContact CB-CD2 4.5Å; L350-F432 HydrophobicContact CB-CE1 3.62Å; L350-F432 HydrophobicContact CB-CE2 4.3Å; L350-F432 HydrophobicContact CB-CG 4.3Å; L350-F432 HydrophobicContact CB-CZ 3.87Å; L350-F432 HydrophobicContact CD1-CB 3.93Å; L350-F432 HydrophobicContact CD1-CD1 3.88Å; L350-F432 HydrophobicContact CD1-CD2 4.37Å; L350-F432 HydrophobicContact CD1-CG 3.8Å; L350-F432 HydrophobicContact CG-CD1 4.49Å; E351-F432 HydrophobicContact CG-CE2 4.25Å; E351-F432 HydrophobicContact CG-CZ 4.1Å; I428-F432 WeakPolarHBondContact O-CB 3.32Å; I428-F432 PolarHBondContact O-N 3.43Å; I428-F432 VanDerWaalsContact O-N 3.07Å; K430-F432 VanDerWaalsContact C-N 3.32Å; K430-F432 PolarHBondContact O-N 3.14Å; F432-L436 HydrophobicContact CD1-CD1 3.92Å; F432-L436 HydrophobicContact CE1-CD1 3.57Å; F432-L436 HydrophobicContact CE1-CG 4.4Å; F432-L436 HydrophobicContact CZ-CD1 4.37Å; F432-L436 WeakPolarHBondContact O-CG 3.31Å; F432-L436 PolarHBondContact O-N 3.37Å; F432-V451 HydrophobicContact CE1-CG2 4.11Å |
| 433 | I | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.9 | -40 | 179.9 | -74.4 | 166.2 | 0 | 0 | 0 | 111.7 | C429 K430 D431 L436 F437 A448 V451 I452 L455 I466 | C429-I433 WeakPolarHBondContact O-CD1 3.32Å; C429-I433 WeakPolarHBondContact O-CG1 3.48Å; C429-I433 PolarHBondContact O-N 3.18Å; K430-I433 PolarHBondContact O-N 3.37Å; D431-I433 PolarHBondContact O-N 3.31Å; I433-L436 PolarHBondContact O-N 2.92Å; I433-F437 HydrophobicContact CG2-CD2 3.8Å; I433-F437 HydrophobicContact CG2-CE2 3.87Å; I433-F437 WeakPolarHBondContact O-CD2 3.45Å; I433-F437 PolarHBondContact O-N 3.39Å; I433-A448 HydrophobicContact CG2-CB 4.43Å; I433-V451 HydrophobicContact CD1-CB 4.48Å; I433-V451 HydrophobicContact CD1-CG1 3.92Å; I433-V451 HydrophobicContact CG1-CB 4.35Å; I433-V451 HydrophobicContact CG1-CG1 4.01Å; I433-I452 HydrophobicContact CD1-CG1 3.8Å; I433-I452 HydrophobicContact CG1-CG1 4.49Å; I433-I452 HydrophobicContact CG2-CD1 4.09Å; I433-I452 HydrophobicContact CG2-CG1 4.26Å; I433-L455 HydrophobicContact CD1-CD1 3.74Å; I433-I466 HydrophobicContact CD1-CD1 3.82Å; I433-I466 HydrophobicContact CD1-CG2 3.94Å; I433-I466 HydrophobicContact CG2-CG2 4.14Å |
| 434 | I | 88.4 | Confident | 87.1 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 40% | 0.395 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 178.5 | -69.8 | 174.3 | 0 | 0 | 0 | 110.3 | K430 D431 L436 F437 A438 | K430-I434 HydrophobicContact CD-CD1 4.25Å; K430-I434 HydrophobicContact CG-CD1 3.66Å; K430-I434 HydrophobicContact CG-CG1 4.34Å; K430-I434 WeakPolarHBondContact O-CG1 3.49Å; K430-I434 PolarHBondContact O-N 2.92Å; D431-I434 PolarHBondContact O-N 3.06Å; I434-L436 VanDerWaalsContact C-N 3.31Å; I434-L436 PolarHBondContact O-N 3.23Å; I434-F437 PolarHBondContact O-N 3.07Å; I434-A438 VanDerWaalsContact O-CB 3.29Å; I434-A438 WeakPolarHBondContact O-CB 3.37Å; I434-A438 PolarHBondContact O-N 3.31Å |
| 435 | E | 88.4 | Confident | 86.8 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 65% | 0.65 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | 174.5 | -75.7 | -179.7 | -177.9 | 0 | 0 | 111.8 | D431 F437 A438 D439 | D431-E435 WeakPolarHBondContact O-CB 3.42Å; D431-E435 WeakPolarHBondContact O-CG 3.37Å; D431-E435 PolarHBondContact O-N 3.28Å; E435-F437 PolarHBondContact O-N 3.41Å; E435-A438 PolarHBondContact O-N 3.45Å; E435-D439 PolarHBondContact O-N 3.12Å; E435-D439 VanDerWaalsContact O-N 3.15Å |
| 436 | L | 86.9 | Confident | 86.4 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 176.2 | -71.3 | 175.2 | 0 | 0 | 0 | 113.5 | F432 I433 I434 S444 E447 A448 | F432-L436 HydrophobicContact CD1-CD1 3.92Å; F432-L436 HydrophobicContact CE1-CD1 3.57Å; F432-L436 HydrophobicContact CE1-CG 4.4Å; F432-L436 HydrophobicContact CZ-CD1 4.37Å; F432-L436 WeakPolarHBondContact O-CG 3.31Å; F432-L436 PolarHBondContact O-N 3.37Å; I433-L436 PolarHBondContact O-N 2.92Å; I434-L436 VanDerWaalsContact C-N 3.31Å; I434-L436 PolarHBondContact O-N 3.23Å; L436-S444 CarbonylContact O-C 3.58Å; L436-S444 VanDerWaalsContact O-CB 3.28Å; L436-S444 WeakPolarHBondContact O-CB 3.28Å; L436-E447 HydrophobicContact CD1-CB 4.35Å; L436-A448 HydrophobicContact CB-CB 3.78Å; L436-A448 HydrophobicContact CD1-CB 4.2Å |
| 437 | F | 84 | Confident | 86.1 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -76.1 | -33 | 175.2 | -87.7 | -66.7 | 0 | 0 | 0 | 113.3 | I433 I434 E435 D439 K445 A448 I452 V472 L476 L479 | I433-F437 HydrophobicContact CG2-CD2 3.8Å; I433-F437 HydrophobicContact CG2-CE2 3.87Å; I433-F437 WeakPolarHBondContact O-CD2 3.45Å; I433-F437 PolarHBondContact O-N 3.39Å; I434-F437 PolarHBondContact O-N 3.07Å; E435-F437 PolarHBondContact O-N 3.41Å; F437-D439 PolarHBondContact O-N 3.45Å; F437-K445 HydrophobicContact CD1-CB 4.18Å; F437-K445 HydrophobicContact CD1-CG 3.99Å; F437-K445 HydrophobicContact CE1-CB 4.2Å; F437-K445 HydrophobicContact CE1-CG 4.48Å; F437-A448 HydrophobicContact CD2-CB 3.73Å; F437-A448 HydrophobicContact CE1-CB 4.43Å; F437-A448 HydrophobicContact CE2-CB 3.52Å; F437-A448 HydrophobicContact CG-CB 4.28Å; F437-A448 HydrophobicContact CZ-CB 3.9Å; F437-I452 HydrophobicContact CE2-CD1 3.93Å; F437-I452 HydrophobicContact CZ-CD1 4.39Å; F437-V472 HydrophobicContact CE2-CG1 4.09Å; F437-L476 HydrophobicContact CZ-CD2 4.46Å; F437-L479 HydrophobicContact CE1-CD1 4.5Å |
| 438 | A | 85.6 | Confident | 86 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.7 | -23.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I434 E435 | I434-A438 VanDerWaalsContact O-CB 3.29Å; I434-A438 WeakPolarHBondContact O-CB 3.37Å; I434-A438 PolarHBondContact O-N 3.31Å; E435-A438 PolarHBondContact O-N 3.45Å |
| 439 | D | 83.7 | Confident | 85.8 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -62.6 | 142.2 | 175.6 | -164.9 | -0.6 | 0 | 0 | 0 | 112 | E435 F437 Y441 S444 K445 | E435-D439 PolarHBondContact O-N 3.12Å; E435-D439 VanDerWaalsContact O-N 3.15Å; F437-D439 PolarHBondContact O-N 3.45Å; D439-Y441 PolarHBondContact O-N 3.36Å; D439-Y441 WeakPolarHBondContact OD1-CD2 3.49Å; D439-Y441 PolarHBondContact OD1-N 3.33Å; D439-Y441 WeakPolarHBondContact OD2-CD2 3.37Å; D439-S444 WeakPolarHBondContact OD2-CB 3.22Å; D439-S444 PolarHBondContact OD2-OG 3.16Å; D439-K445 PolarHBondContact O-NZ 2.71Å |
| 440 | N | 80 | Confident | 85.5 | Confident | 155 Ų | 155 | 54.2 Ų | 54.2 | 83% | 0.829 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -71.3 | -22.6 | -178.5 | -69.9 | -45.8 | 0 | 0 | 0 | 111.9 | ||
| 441 | Y | 79.5 | Confident | 85.4 | Confident | 155 Ų | 155 | 51.3 Ų | 51.3 | 61% | 0.608 | 26% | 0.259 | S | S | * | . | trans | -74.9 | 138.3 | 179.5 | -58.1 | -72.1 | 0 | 0 | 0 | 111.7 | D439 E443 | D439-Y441 PolarHBondContact O-N 3.36Å; D439-Y441 WeakPolarHBondContact OD1-CD2 3.49Å; D439-Y441 PolarHBondContact OD1-N 3.33Å; D439-Y441 WeakPolarHBondContact OD2-CD2 3.37Å; Y441-E443 VanDerWaalsContact C-N 3.3Å | ||
| 442 | I | 79.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 48 Ų | 48 | 34% | 0.338 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.9 | -28.9 | 177.1 | -168.2 | 163.7 | 0 | 0 | 0 | 111.1 | S444 K445 V446 L479 C482 Y487 | I442-S444 VanDerWaalsContact C-N 3.31Å; I442-S444 PolarHBondContact O-N 2.98Å; I442-K445 WeakPolarHBondContact O-CB 3.49Å; I442-K445 PolarHBondContact O-N 3.2Å; I442-V446 WeakPolarHBondContact O-CG2 3.38Å; I442-V446 PolarHBondContact O-N 3.07Å; I442-L479 HydrophobicContact CG1-CD2 4.23Å; I442-C482 HydrophobicContact CD1-CB 4.39Å; I442-Y487 HydrophobicContact CD1-CD2 4.35Å; I442-Y487 HydrophobicContact CG1-CD2 4.25Å; I442-Y487 HydrophobicContact CG1-CE2 4.41Å; I442-Y487 HydrophobicContact CG2-CE2 3.85Å |
| 443 | E | 80.8 | Confident | 85 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 174.4 | -72.7 | 64.6 | -146.7 | 0 | 0 | 111.6 | Y441 K445 V446 E447 Y487 | Y441-E443 VanDerWaalsContact C-N 3.3Å; E443-K445 VanDerWaalsContact C-N 3.33Å; E443-K445 PolarHBondContact O-N 3.34Å; E443-V446 WeakPolarHBondContact O-CB 3.49Å; E443-V446 PolarHBondContact O-N 2.97Å; E443-V446 VanDerWaalsContact O-N 3.1Å; E443-E447 WeakPolarHBondContact O-CG 3.49Å; E443-E447 PolarHBondContact O-N 3.45Å; E443-Y487 WeakPolarHBondContact CG-OH 3.42Å; E443-Y487 PolarHBondContact OE1-OH 3.5Å |
| 444 | S | 82.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 179.6 | -47.4 | 0 | 0 | 0 | 0 | 111.7 | L436 D439 I442 V446 E447 A448 | L436-S444 CarbonylContact O-C 3.58Å; L436-S444 VanDerWaalsContact O-CB 3.28Å; L436-S444 WeakPolarHBondContact O-CB 3.28Å; D439-S444 WeakPolarHBondContact OD2-CB 3.22Å; D439-S444 PolarHBondContact OD2-OG 3.16Å; I442-S444 VanDerWaalsContact C-N 3.31Å; I442-S444 PolarHBondContact O-N 2.98Å; S444-V446 VanDerWaalsContact C-N 3.29Å; S444-V446 PolarHBondContact O-N 3.48Å; S444-E447 WeakPolarHBondContact O-CB 3.36Å; S444-E447 PolarHBondContact O-N 3.42Å; S444-A448 PolarHBondContact O-N 2.91Å |
| 445 | K | 84.1 | Confident | 84.9 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 173.9 | -60.5 | -179.6 | 175.2 | 67 | 0 | 112 | F437 D439 I442 E443 A448 A449 L479 | F437-K445 HydrophobicContact CD1-CB 4.18Å; F437-K445 HydrophobicContact CD1-CG 3.99Å; F437-K445 HydrophobicContact CE1-CB 4.2Å; F437-K445 HydrophobicContact CE1-CG 4.48Å; D439-K445 PolarHBondContact O-NZ 2.71Å; I442-K445 WeakPolarHBondContact O-CB 3.49Å; I442-K445 PolarHBondContact O-N 3.2Å; E443-K445 VanDerWaalsContact C-N 3.33Å; E443-K445 PolarHBondContact O-N 3.34Å; K445-A448 WeakPolarHBondContact O-CB 3.33Å; K445-A448 PolarHBondContact O-N 2.91Å; K445-A449 PolarHBondContact O-N 3Å; K445-L479 HydrophobicContact CB-CD1 4.08Å; K445-L479 HydrophobicContact CB-CD2 3.88Å; K445-L479 HydrophobicContact CB-CG 4.34Å; K445-L479 VanDerWaalsContact O-CD1 3.28Å; K445-L479 WeakPolarHBondContact O-CD1 3.28Å |
| 446 | V | 83.2 | Confident | 84.7 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.4 | -37.6 | 176.1 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | I442 E443 S444 A448 A449 S450 L479 Y487 I490 | I442-V446 WeakPolarHBondContact O-CG2 3.38Å; I442-V446 PolarHBondContact O-N 3.07Å; E443-V446 WeakPolarHBondContact O-CB 3.49Å; E443-V446 PolarHBondContact O-N 2.97Å; E443-V446 VanDerWaalsContact O-N 3.1Å; S444-V446 VanDerWaalsContact C-N 3.29Å; S444-V446 PolarHBondContact O-N 3.48Å; V446-A448 VanDerWaalsContact C-N 3.34Å; V446-A449 WeakPolarHBondContact O-CB 3.42Å; V446-A449 PolarHBondContact O-N 3.46Å; V446-S450 PolarHBondContact O-N 2.91Å; V446-L479 HydrophobicContact CG2-CD2 3.93Å; V446-Y487 HydrophobicContact CB-CD1 4.21Å; V446-Y487 HydrophobicContact CG1-CD1 3.84Å; V446-Y487 HydrophobicContact CG1-CE1 4.31Å; V446-Y487 HydrophobicContact CG1-CG 4.47Å; V446-Y487 HydrophobicContact CG2-CD1 3.51Å; V446-Y487 HydrophobicContact CG2-CD2 3.79Å; V446-Y487 HydrophobicContact CG2-CE1 4.08Å; V446-Y487 HydrophobicContact CG2-CE2 4.32Å; V446-Y487 HydrophobicContact CG2-CG 3.37Å; V446-I490 HydrophobicContact CG1-CB 4.25Å; V446-I490 HydrophobicContact CG1-CD1 3.28Å; V446-I490 HydrophobicContact CG1-CG1 4.32Å; V446-I490 HydrophobicContact CG1-CG2 4.17Å |
| 447 | E | 85.4 | Confident | 84.3 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 28% | 0.28 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -43 | 171.3 | -71.1 | 177.6 | 175.6 | 0 | 0 | 110.9 | C354 I358 L436 E443 S444 A449 S450 V451 | C354-E447 HydrophobicContact CB-CB 3.95Å; C354-E447 HydrophobicContact CB-CG 4.07Å; I358-E447 HydrophobicContact CD1-CG 4.15Å; L436-E447 HydrophobicContact CD1-CB 4.35Å; E443-E447 WeakPolarHBondContact O-CG 3.49Å; E443-E447 PolarHBondContact O-N 3.45Å; S444-E447 WeakPolarHBondContact O-CB 3.36Å; S444-E447 PolarHBondContact O-N 3.42Å; E447-A449 VanDerWaalsContact C-N 3.33Å; E447-A449 PolarHBondContact O-N 3.48Å; E447-S450 VanDerWaalsContact O-CB 3.3Å; E447-S450 WeakPolarHBondContact O-CB 3.3Å; E447-S450 PolarHBondContact O-N 3.38Å; E447-S450 VanDerWaalsContact O-N 3.08Å; E447-V451 WeakPolarHBondContact O-CG2 3.4Å; E447-V451 PolarHBondContact O-N 2.94Å |
| 448 | A | 88.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I433 L436 F437 S444 K445 V446 S450 V451 I452 | I433-A448 HydrophobicContact CG2-CB 4.43Å; L436-A448 HydrophobicContact CB-CB 3.78Å; L436-A448 HydrophobicContact CD1-CB 4.2Å; F437-A448 HydrophobicContact CD2-CB 3.73Å; F437-A448 HydrophobicContact CE1-CB 4.43Å; F437-A448 HydrophobicContact CE2-CB 3.52Å; F437-A448 HydrophobicContact CG-CB 4.28Å; F437-A448 HydrophobicContact CZ-CB 3.9Å; S444-A448 PolarHBondContact O-N 2.91Å; K445-A448 WeakPolarHBondContact O-CB 3.33Å; K445-A448 PolarHBondContact O-N 2.91Å; V446-A448 VanDerWaalsContact C-N 3.34Å; A448-S450 VanDerWaalsContact C-N 3.33Å; A448-S450 PolarHBondContact O-N 3.46Å; A448-V451 PolarHBondContact O-N 3.44Å; A448-I452 WeakPolarHBondContact O-CG1 3.41Å; A448-I452 PolarHBondContact O-N 3.38Å |
| 449 | A | 87.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K445 V446 E447 V451 I452 G453 L476 L479 I490 T494 | K445-A449 PolarHBondContact O-N 3Å; V446-A449 WeakPolarHBondContact O-CB 3.42Å; V446-A449 PolarHBondContact O-N 3.46Å; E447-A449 VanDerWaalsContact C-N 3.33Å; E447-A449 PolarHBondContact O-N 3.48Å; A449-V451 VanDerWaalsContact C-N 3.34Å; A449-V451 PolarHBondContact O-N 3.48Å; A449-I452 PolarHBondContact O-N 3.28Å; A449-G453 PolarHBondContact O-N 3.18Å; A449-L476 HydrophobicContact CB-CD2 3.5Å; A449-L476 VanDerWaalsContact CB-CD2 3.5Å; A449-L479 HydrophobicContact CB-CD1 4.06Å; A449-I490 HydrophobicContact CB-CG2 4.01Å; A449-T494 WeakPolarHBondContact O-CG2 3.28Å; A449-T494 PolarHBondContact O-OG1 3.44Å; A449-T494 VanDerWaalsContact O-OG1 3.04Å |
| 450 | S | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | A353 C354 G357 V446 E447 A448 T454 | A353-S450 PolarHBondContact O-OG 2.94Å; C354-S450 PolarHBondContact O-OG 3.37Å; G357-S450 WeakPolarHBondContact CA-OG 3.49Å; G357-S450 PolarHBondContact N-OG 3.27Å; V446-S450 PolarHBondContact O-N 2.91Å; E447-S450 VanDerWaalsContact O-CB 3.3Å; E447-S450 WeakPolarHBondContact O-CB 3.3Å; E447-S450 PolarHBondContact O-N 3.38Å; E447-S450 VanDerWaalsContact O-N 3.08Å; A448-S450 VanDerWaalsContact C-N 3.33Å; A448-S450 PolarHBondContact O-N 3.46Å; S450-T454 PolarHBondContact O-N 3.32Å; S450-T454 PolarHBondContact O-OG1 3.49Å |
| 451 | V | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.6 | -49.4 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | L350 A353 C354 F432 I433 E447 A448 A449 G453 T454 L455 | L350-V451 HydrophobicContact CB-CG1 4.47Å; L350-V451 HydrophobicContact CD2-CG1 3.73Å; A353-V451 HydrophobicContact CB-CG2 4.34Å; C354-V451 HydrophobicContact CB-CG2 4.39Å; C354-V451 WeakPolarHBondContact SG-CG2 3.47Å; F432-V451 HydrophobicContact CE1-CG2 4.11Å; I433-V451 HydrophobicContact CD1-CB 4.48Å; I433-V451 HydrophobicContact CD1-CG1 3.92Å; I433-V451 HydrophobicContact CG1-CB 4.35Å; I433-V451 HydrophobicContact CG1-CG1 4.01Å; E447-V451 WeakPolarHBondContact O-CG2 3.4Å; E447-V451 PolarHBondContact O-N 2.94Å; A448-V451 PolarHBondContact O-N 3.44Å; A449-V451 VanDerWaalsContact C-N 3.34Å; A449-V451 PolarHBondContact O-N 3.48Å; V451-G453 VanDerWaalsContact C-N 3.26Å; V451-G453 PolarHBondContact O-N 2.9Å; V451-T454 CarbonylContact O-C 3.53Å; V451-T454 WeakPolarHBondContact O-CA 3.39Å; V451-T454 WeakPolarHBondContact O-CB 3.44Å; V451-T454 PolarHBondContact O-N 3Å; V451-L455 HydrophobicContact CG1-CD1 4.21Å; V451-L455 HydrophobicContact CG1-CG 4.38Å; V451-L455 WeakPolarHBondContact O-CG 3.49Å; V451-L455 PolarHBondContact O-N 3.44Å |
| 452 | I | 88.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.9 | -47.9 | 177 | -68.8 | 167.4 | 0 | 0 | 0 | 110.1 | I433 F437 A448 A449 T454 L455 F456 I466 V472 L476 T494 | I433-I452 HydrophobicContact CD1-CG1 3.8Å; I433-I452 HydrophobicContact CG1-CG1 4.49Å; I433-I452 HydrophobicContact CG2-CD1 4.09Å; I433-I452 HydrophobicContact CG2-CG1 4.26Å; F437-I452 HydrophobicContact CE2-CD1 3.93Å; F437-I452 HydrophobicContact CZ-CD1 4.39Å; A448-I452 WeakPolarHBondContact O-CG1 3.41Å; A448-I452 PolarHBondContact O-N 3.38Å; A449-I452 PolarHBondContact O-N 3.28Å; I452-T454 PolarHBondContact O-N 3.14Å; I452-L455 PolarHBondContact O-N 3.16Å; I452-F456 HydrophobicContact CG2-CD2 3.75Å; I452-F456 HydrophobicContact CG2-CE2 3.53Å; I452-F456 VanDerWaalsContact O-CD2 3.28Å; I452-F456 WeakPolarHBondContact O-CD2 3.21Å; I452-F456 PolarHBondContact O-N 3Å; I452-I466 HydrophobicContact CG1-CG2 4.49Å; I452-V472 HydrophobicContact CD1-CG1 3.72Å; I452-L476 HydrophobicContact CD1-CD1 4.23Å; I452-L476 HydrophobicContact CD1-CD2 4.34Å; I452-L476 HydrophobicContact CD1-CG 4.45Å; I452-L476 HydrophobicContact CG2-CD1 4.44Å; I452-T494 HydrophobicContact CB-CG2 3.98Å; I452-T494 HydrophobicContact CG2-CG2 3.68Å |
| 453 | G | 84.4 | Confident | 85 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.6 | -22.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R402 A449 V451 L457 | R402-G453 PolarHBondContact NH2-O 3.01Å; A449-G453 PolarHBondContact O-N 3.18Å; V451-G453 VanDerWaalsContact C-N 3.26Å; V451-G453 PolarHBondContact O-N 2.9Å; G453-L457 WeakPolarHBondContact O-CG 3.11Å |
| 454 | T | 86.2 | Confident | 85 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -80.7 | -37.8 | 174.1 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | A353 R402 V405 A406 S450 V451 I452 F456 L457 G458 | A353-T454 HydrophobicContact CB-CG2 3.87Å; R402-T454 HydrophobicContact CG-CG2 4.2Å; R402-T454 WeakPolarHBondContact CG-OG1 3.48Å; R402-T454 PolarHBondContact NE-OG1 3.38Å; V405-T454 HydrophobicContact CG1-CG2 4.29Å; A406-T454 HydrophobicContact CB-CG2 3.92Å; A406-T454 WeakPolarHBondContact CB-O 3.43Å; S450-T454 PolarHBondContact O-N 3.32Å; S450-T454 PolarHBondContact O-OG1 3.49Å; V451-T454 CarbonylContact O-C 3.53Å; V451-T454 WeakPolarHBondContact O-CA 3.39Å; V451-T454 WeakPolarHBondContact O-CB 3.44Å; V451-T454 PolarHBondContact O-N 3Å; I452-T454 PolarHBondContact O-N 3.14Å; T454-F456 PolarHBondContact O-N 3.18Å; T454-L457 PolarHBondContact O-N 2.68Å; T454-G458 PolarHBondContact O-N 3.35Å |
| 455 | L | 89.9 | Confident | 85 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 174.8 | -66.4 | 172.7 | 0 | 0 | 0 | 111.8 | L350 L409 C429 I433 V451 I452 L457 G458 P459 Y460 V462 I466 | L350-L455 HydrophobicContact CD2-CD2 4.31Å; L409-L455 HydrophobicContact CD1-CD2 4.27Å; C429-L455 HydrophobicContact CB-CD1 4.41Å; I433-L455 HydrophobicContact CD1-CD1 3.74Å; V451-L455 HydrophobicContact CG1-CD1 4.21Å; V451-L455 HydrophobicContact CG1-CG 4.38Å; V451-L455 WeakPolarHBondContact O-CG 3.49Å; V451-L455 PolarHBondContact O-N 3.44Å; I452-L455 PolarHBondContact O-N 3.16Å; L455-L457 VanDerWaalsContact C-N 3.26Å; L455-L457 PolarHBondContact O-N 2.95Å; L455-G458 CarbonylContact O-C 3.5Å; L455-G458 VanDerWaalsContact O-C 3.27Å; L455-G458 PolarHBondContact O-N 3.33Å; L455-P459 HydrophobicContact CD2-CG 3.74Å; L455-P459 CarbonylContact O-C 3.54Å; L455-P459 WeakPolarHBondContact O-CD 3.27Å; L455-Y460 PolarHBondContact O-N 3.45Å; L455-V462 HydrophobicContact CD1-CG1 4.34Å; L455-I466 HydrophobicContact CD1-CD1 3.92Å |
| 456 | F | 83.3 | Confident | 85 | Confident | 11 Ų | 11 | 17.3 Ų | 17.3 | 5% | 0.048 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.1 | 174.7 | -81.7 | -68.4 | 0 | 0 | 0 | 114.4 | I452 T454 G458 Y460 G463 I467 I497 A498 | I452-F456 HydrophobicContact CG2-CD2 3.75Å; I452-F456 HydrophobicContact CG2-CE2 3.53Å; I452-F456 VanDerWaalsContact O-CD2 3.28Å; I452-F456 WeakPolarHBondContact O-CD2 3.21Å; I452-F456 PolarHBondContact O-N 3Å; T454-F456 PolarHBondContact O-N 3.18Å; F456-G458 VanDerWaalsContact C-N 3.32Å; F456-Y460 AromaticContact CD1-CD2 3.71Å; F456-Y460 HydrophobicContact CD1-CD2 3.71Å; F456-Y460 AromaticContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CE1-CD2 4.4Å; F456-Y460 AromaticContact CE1-CE2 3.9Å; F456-Y460 HydrophobicContact CE1-CE2 3.9Å; F456-G463 WeakPolarHBondContact CZ-O 3.31Å; F456-I467 HydrophobicContact CE2-CB 4.25Å; F456-I467 HydrophobicContact CE2-CD1 3.93Å; F456-I467 HydrophobicContact CZ-CB 3.96Å; F456-I467 HydrophobicContact CZ-CD1 3.98Å; F456-I467 HydrophobicContact CZ-CG2 3.82Å; F456-I497 HydrophobicContact CB-CG2 3.57Å; F456-A498 HydrophobicContact CD1-CB 4.21Å; F456-A498 HydrophobicContact CD2-CB 3.81Å; F456-A498 HydrophobicContact CE1-CB 3.88Å; F456-A498 HydrophobicContact CE2-CB 3.47Å; F456-A498 VanDerWaalsContact CE2-CB 3.47Å; F456-A498 HydrophobicContact CG-CB 4.18Å; F456-A498 HydrophobicContact CZ-CB 3.51Å |
| 457 | L | 78.5 | Confident | 85 | Confident | 66 Ų | 66 | 17.4 Ų | 17.4 | 35% | 0.346 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.3 | 173 | -67.1 | 173.8 | 0 | 0 | 0 | 112.6 | R402 M403 A406 G453 T454 L455 I497 | R402-L457 HydrophobicContact CG-CD1 4.38Å; M403-L457 HydrophobicContact CE-CD1 4.3Å; M403-L457 HydrophobicContact CE-CD2 4.37Å; A406-L457 HydrophobicContact CB-CB 3.83Å; G453-L457 WeakPolarHBondContact O-CG 3.11Å; T454-L457 PolarHBondContact O-N 2.68Å; L455-L457 VanDerWaalsContact C-N 3.26Å; L455-L457 PolarHBondContact O-N 2.95Å; L457-I497 HydrophobicContact CD1-CD1 4.35Å; L457-I497 HydrophobicContact CD2-CG2 3.76Å; L457-I497 HydrophobicContact CG-CD1 4.47Å; L457-I497 HydrophobicContact CG-CG2 3.87Å |
| 458 | G | 84.1 | Confident | 84.6 | Confident | 16 Ų | 16 | 18.6 Ų | 18.6 | 17% | 0.165 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -121.6 | -109.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A406 T454 L455 F456 Y460 | A406-G458 WeakPolarHBondContact O-CA 3.1Å; T454-G458 PolarHBondContact O-N 3.35Å; L455-G458 CarbonylContact O-C 3.5Å; L455-G458 VanDerWaalsContact O-C 3.27Å; L455-G458 PolarHBondContact O-N 3.33Å; F456-G458 VanDerWaalsContact C-N 3.32Å; G458-Y460 VanDerWaalsContact C-N 3.26Å; G458-Y460 PolarHBondContact O-N 3.06Å |
| 459 | P | 86 | Confident | 84.2 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | trans | -71.5 | 81.2 | 177 | 32.6 | -35.4 | 0 | 0 | 0 | 110.8 | L409 W413 L455 E461 V462 G463 | L409-P459 HydrophobicContact CB-CG 4.18Å; W413-P459 HydrophobicContact CB-CB 3.91Å; W413-P459 HydrophobicContact CG-CB 3.92Å; L455-P459 HydrophobicContact CD2-CG 3.74Å; L455-P459 CarbonylContact O-C 3.54Å; L455-P459 WeakPolarHBondContact O-CD 3.27Å; P459-E461 PolarHBondContact O-N 3.08Å; P459-V462 HydrophobicContact CB-CB 4.28Å; P459-V462 HydrophobicContact CB-CG2 4.05Å; P459-V462 HydrophobicContact CG-CB 4.45Å; P459-V462 WeakPolarHBondContact O-CB 3.3Å; P459-V462 PolarHBondContact O-N 3.36Å; P459-V462 VanDerWaalsContact O-N 3.08Å; P459-G463 PolarHBondContact O-N 3.22Å | ||
| 460 | Y | 82.2 | Confident | 83.6 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 11% | 0.106 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55 | -38.9 | -174.6 | -178.3 | -84.3 | 0 | 0 | 0 | 113 | L455 F456 G458 V462 G463 S464 A498 K501 Q504 | L455-Y460 PolarHBondContact O-N 3.45Å; F456-Y460 AromaticContact CD1-CD2 3.71Å; F456-Y460 HydrophobicContact CD1-CD2 3.71Å; F456-Y460 AromaticContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CD1-CE2 3.5Å; F456-Y460 HydrophobicContact CE1-CD2 4.4Å; F456-Y460 AromaticContact CE1-CE2 3.9Å; F456-Y460 HydrophobicContact CE1-CE2 3.9Å; G458-Y460 VanDerWaalsContact C-N 3.26Å; G458-Y460 PolarHBondContact O-N 3.06Å; Y460-V462 VanDerWaalsContact C-N 3.3Å; Y460-V462 PolarHBondContact O-N 3.36Å; Y460-G463 PolarHBondContact O-N 2.81Å; Y460-S464 VanDerWaalsContact O-CB 3.26Å; Y460-S464 WeakPolarHBondContact O-CB 3.31Å; Y460-S464 PolarHBondContact O-N 3.43Å; Y460-A498 PolarHBondContact OH-O 3.29Å; Y460-K501 HydrophobicContact CD1-CD 3.55Å; Y460-K501 VanDerWaalsContact CD1-CE 3.46Å; Y460-K501 HydrophobicContact CD1-CG 4.19Å; Y460-K501 HydrophobicContact CD2-CD 4.23Å; Y460-K501 HydrophobicContact CD2-CG 4.07Å; Y460-K501 HydrophobicContact CE1-CB 4Å; Y460-K501 HydrophobicContact CE1-CD 3.45Å; Y460-K501 VanDerWaalsContact CE1-CD 3.45Å; Y460-K501 HydrophobicContact CE1-CG 3.81Å; Y460-K501 HydrophobicContact CE2-CB 4.1Å; Y460-K501 HydrophobicContact CE2-CD 4.16Å; Y460-K501 HydrophobicContact CE2-CG 3.69Å; Y460-K501 HydrophobicContact CG-CD 3.96Å; Y460-K501 HydrophobicContact CG-CG 4.32Å; Y460-K501 WeakPolarHBondContact OH-CB 2.97Å; Y460-Q504 PolarHBondContact OH-OE1 3.19Å |
| 461 | E | 82.1 | Confident | 83.4 | Confident | 109 Ų | 109 | 33.2 Ų | 33.2 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 179.9 | -68.4 | 163 | 178.3 | 0 | 0 | 111.9 | W413 P459 S464 G465 | W413-E461 HydrophobicContact CZ2-CB 4.43Å; W413-E461 PolarHBondContact NE1-OE2 3.46Å; P459-E461 PolarHBondContact O-N 3.08Å; E461-S464 WeakPolarHBondContact O-CB 3.18Å; E461-S464 PolarHBondContact O-N 3.28Å; E461-G465 PolarHBondContact O-N 3.28Å |
| 462 | V | 87.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.5 | -45.9 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | W413 Y425 T426 C429 L455 P459 Y460 S464 G465 I466 | W413-V462 HydrophobicContact CD2-CG2 3.9Å; W413-V462 HydrophobicContact CE3-CG2 3.71Å; W413-V462 HydrophobicContact CH2-CG2 3.74Å; W413-V462 HydrophobicContact CZ2-CG2 3.98Å; W413-V462 HydrophobicContact CZ3-CG2 3.59Å; Y425-V462 HydrophobicContact CD1-CG2 4.12Å; Y425-V462 HydrophobicContact CE1-CG2 4.1Å; T426-V462 HydrophobicContact CG2-CG1 4.38Å; C429-V462 HydrophobicContact CB-CG1 3.86Å; L455-V462 HydrophobicContact CD1-CG1 4.34Å; P459-V462 HydrophobicContact CB-CB 4.28Å; P459-V462 HydrophobicContact CB-CG2 4.05Å; P459-V462 HydrophobicContact CG-CB 4.45Å; P459-V462 WeakPolarHBondContact O-CB 3.3Å; P459-V462 PolarHBondContact O-N 3.36Å; P459-V462 VanDerWaalsContact O-N 3.08Å; Y460-V462 VanDerWaalsContact C-N 3.3Å; Y460-V462 PolarHBondContact O-N 3.36Å; V462-S464 VanDerWaalsContact C-N 3.32Å; V462-S464 PolarHBondContact O-N 3.37Å; V462-G465 PolarHBondContact O-N 3.12Å; V462-I466 HydrophobicContact CG1-CD1 3.79Å; V462-I466 VanDerWaalsContact O-CG1 3.23Å; V462-I466 WeakPolarHBondContact O-CG1 3.41Å; V462-I466 PolarHBondContact O-N 2.79Å |
| 463 | G | 85.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F456 P459 Y460 I466 I467 | F456-G463 WeakPolarHBondContact CZ-O 3.31Å; P459-G463 PolarHBondContact O-N 3.22Å; Y460-G463 PolarHBondContact O-N 2.81Å; G463-I466 PolarHBondContact O-N 3.37Å; G463-I467 PolarHBondContact O-N 3.29Å |
| 464 | S | 81.7 | Confident | 82.6 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 174.4 | 168.1 | 0 | 0 | 0 | 0 | 112.3 | Y460 E461 V462 I466 I467 S468 Q504 | Y460-S464 VanDerWaalsContact O-CB 3.26Å; Y460-S464 WeakPolarHBondContact O-CB 3.31Å; Y460-S464 PolarHBondContact O-N 3.43Å; E461-S464 WeakPolarHBondContact O-CB 3.18Å; E461-S464 PolarHBondContact O-N 3.28Å; V462-S464 VanDerWaalsContact C-N 3.32Å; V462-S464 PolarHBondContact O-N 3.37Å; S464-I466 PolarHBondContact O-N 3.48Å; S464-I467 WeakPolarHBondContact O-CG2 3.37Å; S464-I467 PolarHBondContact O-N 2.74Å; S464-S468 PolarHBondContact O-N 2.82Å; S464-S468 PolarHBondContact O-OG 2.81Å; S464-Q504 PolarHBondContact O-NE2 3.45Å; S464-Q504 PolarHBondContact OG-NE2 3.48Å; S464-Q504 PolarHBondContact OG-OE1 2.92Å |
| 465 | G | 81.9 | Confident | 82.4 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.1 | -31.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E461 V462 Q469 | E461-G465 PolarHBondContact O-N 3.28Å; V462-G465 PolarHBondContact O-N 3.12Å; G465-Q469 PolarHBondContact O-NE2 2.98Å |
| 466 | I | 84.8 | Confident | 82.1 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -79.1 | -40 | 179.7 | -66.3 | 171.8 | 0 | 0 | 0 | 111.8 | C429 K430 I433 I452 L455 V462 G463 S464 S468 Q469 V472 | C429-I466 HydrophobicContact CB-CD1 3.93Å; K430-I466 HydrophobicContact CB-CD1 4.45Å; K430-I466 HydrophobicContact CB-CG1 4.37Å; I433-I466 HydrophobicContact CD1-CD1 3.82Å; I433-I466 HydrophobicContact CD1-CG2 3.94Å; I433-I466 HydrophobicContact CG2-CG2 4.14Å; I452-I466 HydrophobicContact CG1-CG2 4.49Å; L455-I466 HydrophobicContact CD1-CD1 3.92Å; V462-I466 HydrophobicContact CG1-CD1 3.79Å; V462-I466 VanDerWaalsContact O-CG1 3.23Å; V462-I466 WeakPolarHBondContact O-CG1 3.41Å; V462-I466 PolarHBondContact O-N 2.79Å; G463-I466 PolarHBondContact O-N 3.37Å; S464-I466 PolarHBondContact O-N 3.48Å; I466-S468 VanDerWaalsContact C-N 3.27Å; I466-S468 PolarHBondContact O-N 3.45Å; I466-Q469 WeakPolarHBondContact O-CB 3.38Å; I466-Q469 WeakPolarHBondContact O-CG 3.27Å; I466-Q469 PolarHBondContact O-N 3.27Å; I466-V472 HydrophobicContact CG2-CG1 4.32Å |
| 467 | I | 81.5 | Confident | 81.9 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.2 | -30.6 | 179.3 | -153.1 | 170.5 | 0 | 0 | 0 | 112.4 | F456 G463 S464 Q469 F473 L476 A498 I508 | F456-I467 HydrophobicContact CE2-CB 4.25Å; F456-I467 HydrophobicContact CE2-CD1 3.93Å; F456-I467 HydrophobicContact CZ-CB 3.96Å; F456-I467 HydrophobicContact CZ-CD1 3.98Å; F456-I467 HydrophobicContact CZ-CG2 3.82Å; G463-I467 PolarHBondContact O-N 3.29Å; S464-I467 WeakPolarHBondContact O-CG2 3.37Å; S464-I467 PolarHBondContact O-N 2.74Å; I467-Q469 PolarHBondContact O-N 2.79Å; I467-F473 HydrophobicContact CD1-CD2 3.77Å; I467-F473 HydrophobicContact CD1-CE2 4.22Å; I467-F473 HydrophobicContact CG1-CB 4.34Å; I467-F473 HydrophobicContact CG1-CD2 3.79Å; I467-L476 HydrophobicContact CD1-CD1 4.09Å; I467-L476 HydrophobicContact CG1-CD1 4.22Å; I467-A498 HydrophobicContact CD1-CB 3.9Å; I467-I508 HydrophobicContact CD1-CD1 4.29Å; I467-I508 HydrophobicContact CG2-CD1 4.43Å |
| 468 | S | 77.2 | Confident | 82.1 | Confident | 84 Ų | 84 | 41 Ų | 41 | 59% | 0.587 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.5 | 177.1 | -68.2 | 0 | 0 | 0 | 0 | 113.6 | S464 I466 Q504 | S464-S468 PolarHBondContact O-N 2.82Å; S464-S468 PolarHBondContact O-OG 2.81Å; I466-S468 VanDerWaalsContact C-N 3.27Å; I466-S468 PolarHBondContact O-N 3.45Å; S468-Q504 PolarHBondContact OG-NE2 2.95Å |
| 469 | Q | 80.2 | Confident | 82 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -70.3 | 144.2 | 174.4 | -63.2 | -66.9 | -54.7 | 0 | 0 | 111.1 | G465 I466 I467 G471 V472 | G465-Q469 PolarHBondContact O-NE2 2.98Å; I466-Q469 WeakPolarHBondContact O-CB 3.38Å; I466-Q469 WeakPolarHBondContact O-CG 3.27Å; I466-Q469 PolarHBondContact O-N 3.27Å; I467-Q469 PolarHBondContact O-N 2.79Å; Q469-G471 PolarHBondContact O-N 3.15Å; Q469-V472 HydrophobicContact CB-CB 4.47Å; Q469-V472 HydrophobicContact CB-CG2 3.87Å; Q469-V472 PolarHBondContact O-N 2.56Å |
| 470 | E | 75.8 | Confident | 81.6 | Confident | 194 Ų | 194 | 40.3 Ų | 40.3 | 91% | 0.907 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 132.7 | 177.7 | -166.1 | 175.7 | -179.7 | 0 | 0 | 110.9 | V472 | E470-V472 VanDerWaalsContact C-N 3.26Å; E470-V472 PolarHBondContact O-N 3.4Å |
| 471 | G | 79.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 38% | 0.381 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -20.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q469 G475 | Q469-G471 PolarHBondContact O-N 3.15Å; G471-G475 PolarHBondContact O-N 3.4Å |
| 472 | V | 84 | Confident | 81.3 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69 | -49.9 | 180 | 175.6 | 0 | 0 | 0 | 0 | 111 | F437 I452 I466 Q469 E470 D474 G475 L476 | F437-V472 HydrophobicContact CE2-CG1 4.09Å; I452-V472 HydrophobicContact CD1-CG1 3.72Å; I466-V472 HydrophobicContact CG2-CG1 4.32Å; Q469-V472 HydrophobicContact CB-CB 4.47Å; Q469-V472 HydrophobicContact CB-CG2 3.87Å; Q469-V472 PolarHBondContact O-N 2.56Å; E470-V472 VanDerWaalsContact C-N 3.26Å; E470-V472 PolarHBondContact O-N 3.4Å; V472-D474 VanDerWaalsContact C-N 3.35Å; V472-G475 PolarHBondContact O-N 3.38Å; V472-L476 PolarHBondContact O-N 3.41Å |
| 473 | F | 81.1 | Confident | 80.6 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176 | -171.6 | -108.8 | 0 | 0 | 0 | 111.4 | I467 G475 L476 L477 I508 K511 A512 | I467-F473 HydrophobicContact CD1-CD2 3.77Å; I467-F473 HydrophobicContact CD1-CE2 4.22Å; I467-F473 HydrophobicContact CG1-CB 4.34Å; I467-F473 HydrophobicContact CG1-CD2 3.79Å; F473-G475 VanDerWaalsContact C-N 3.28Å; F473-G475 PolarHBondContact O-N 2.96Å; F473-L476 WeakPolarHBondContact O-CB 3.04Å; F473-L476 PolarHBondContact O-N 2.74Å; F473-L476 VanDerWaalsContact O-N 3.11Å; F473-L477 HydrophobicContact CD1-CD1 3.74Å; F473-L477 HydrophobicContact CD1-CG 4.06Å; F473-L477 HydrophobicContact CE1-CD1 3.57Å; F473-L477 HydrophobicContact CE1-CD2 3.9Å; F473-L477 HydrophobicContact CE1-CG 3.85Å; F473-L477 HydrophobicContact CZ-CD1 4.42Å; F473-L477 HydrophobicContact CZ-CD2 3.92Å; F473-L477 HydrophobicContact CZ-CG 4.27Å; F473-L477 WeakPolarHBondContact O-CG 3.38Å; F473-L477 PolarHBondContact O-N 3.39Å; F473-I508 HydrophobicContact CE2-CG2 3.78Å; F473-I508 HydrophobicContact CZ-CG2 3.69Å; F473-K511 HydrophobicContact CD1-CD 4.26Å; F473-K511 HydrophobicContact CE1-CB 3.79Å; F473-K511 HydrophobicContact CE1-CD 4.17Å; F473-A512 HydrophobicContact CZ-CB 4.5Å |
| 474 | D | 81.6 | Confident | 80.1 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 176.4 | -55.8 | -52.9 | 0 | 0 | 0 | 111.5 | V472 L477 L478 | V472-D474 VanDerWaalsContact C-N 3.35Å; D474-L477 PolarHBondContact O-N 3.03Å; D474-L478 VanDerWaalsContact O-CG 3.31Å; D474-L478 WeakPolarHBondContact O-CG 3.48Å; D474-L478 PolarHBondContact O-N 3.07Å |
| 475 | G | 82.7 | Confident | 79.5 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G471 V472 F473 L478 L479 | G471-G475 PolarHBondContact O-N 3.4Å; V472-G475 PolarHBondContact O-N 3.38Å; F473-G475 VanDerWaalsContact C-N 3.28Å; F473-G475 PolarHBondContact O-N 2.96Å; G475-L478 PolarHBondContact O-N 2.46Å; G475-L479 WeakPolarHBondContact O-CG 3.47Å; G475-L479 PolarHBondContact O-N 3.4Å; G475-L479 VanDerWaalsContact O-N 3.08Å |
| 476 | L | 82.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 172.3 | -70.7 | 174.1 | 0 | 0 | 0 | 111.7 | F437 A449 I452 I467 V472 F473 L479 T480 T494 | F437-L476 HydrophobicContact CZ-CD2 4.46Å; A449-L476 HydrophobicContact CB-CD2 3.5Å; A449-L476 VanDerWaalsContact CB-CD2 3.5Å; I452-L476 HydrophobicContact CD1-CD1 4.23Å; I452-L476 HydrophobicContact CD1-CD2 4.34Å; I452-L476 HydrophobicContact CD1-CG 4.45Å; I452-L476 HydrophobicContact CG2-CD1 4.44Å; I467-L476 HydrophobicContact CD1-CD1 4.09Å; I467-L476 HydrophobicContact CG1-CD1 4.22Å; V472-L476 PolarHBondContact O-N 3.41Å; F473-L476 WeakPolarHBondContact O-CB 3.04Å; F473-L476 PolarHBondContact O-N 2.74Å; F473-L476 VanDerWaalsContact O-N 3.11Å; L476-L479 WeakPolarHBondContact O-CB 3.41Å; L476-L479 PolarHBondContact O-N 3.44Å; L476-T480 WeakPolarHBondContact O-CG2 3.2Å; L476-T480 PolarHBondContact O-N 3.26Å; L476-T494 HydrophobicContact CD1-CG2 4.28Å; L476-T494 HydrophobicContact CD2-CG2 4.25Å |
| 477 | L | 80.2 | Confident | 78.5 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.4 | -65.2 | 175.5 | 0 | 0 | 0 | 111.2 | F473 D474 L479 T480 Q481 I495 L515 | F473-L477 HydrophobicContact CD1-CD1 3.74Å; F473-L477 HydrophobicContact CD1-CG 4.06Å; F473-L477 HydrophobicContact CE1-CD1 3.57Å; F473-L477 HydrophobicContact CE1-CD2 3.9Å; F473-L477 HydrophobicContact CE1-CG 3.85Å; F473-L477 HydrophobicContact CZ-CD1 4.42Å; F473-L477 HydrophobicContact CZ-CD2 3.92Å; F473-L477 HydrophobicContact CZ-CG 4.27Å; F473-L477 WeakPolarHBondContact O-CG 3.38Å; F473-L477 PolarHBondContact O-N 3.39Å; D474-L477 PolarHBondContact O-N 3.03Å; L477-L479 VanDerWaalsContact C-N 3.31Å; L477-L479 PolarHBondContact O-N 3.18Å; L477-T480 WeakPolarHBondContact O-CB 3.16Å; L477-T480 PolarHBondContact O-N 3.39Å; L477-T480 PolarHBondContact O-OG1 3.25Å; L477-Q481 PolarHBondContact O-N 2.96Å; L477-I495 HydrophobicContact CD2-CD1 4.27Å; L477-L515 HydrophobicContact CB-CD1 3.99Å; L477-L515 HydrophobicContact CD2-CB 4.37Å; L477-L515 HydrophobicContact CD2-CD1 3.68Å; L477-L515 HydrophobicContact CD2-CD2 4.01Å; L477-L515 HydrophobicContact CD2-CG 4.21Å; L477-L515 HydrophobicContact CG-CD1 4.34Å |
| 478 | L | 81.9 | Confident | 78.2 | Confident | 109 Ų | 109 | 59.4 Ų | 59.4 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 175.5 | -74.8 | 164.8 | 0 | 0 | 0 | 112.2 | D474 G475 T480 Q481 C482 | D474-L478 VanDerWaalsContact O-CG 3.31Å; D474-L478 WeakPolarHBondContact O-CG 3.48Å; D474-L478 PolarHBondContact O-N 3.07Å; G475-L478 PolarHBondContact O-N 2.46Å; L478-T480 PolarHBondContact O-N 2.98Å; L478-Q481 PolarHBondContact O-N 3.43Å; L478-C482 PolarHBondContact O-N 3.31Å; L478-C482 PolarHBondContact O-SG 2.6Å |
| 479 | L | 82.6 | Confident | 78 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -29.9 | 175.2 | -72.7 | 172.8 | 0 | 0 | 0 | 113 | F437 I442 K445 V446 A449 G475 L476 L477 Q481 C482 A491 | F437-L479 HydrophobicContact CE1-CD1 4.5Å; I442-L479 HydrophobicContact CG1-CD2 4.23Å; K445-L479 HydrophobicContact CB-CD1 4.08Å; K445-L479 HydrophobicContact CB-CD2 3.88Å; K445-L479 HydrophobicContact CB-CG 4.34Å; K445-L479 VanDerWaalsContact O-CD1 3.28Å; K445-L479 WeakPolarHBondContact O-CD1 3.28Å; V446-L479 HydrophobicContact CG2-CD2 3.93Å; A449-L479 HydrophobicContact CB-CD1 4.06Å; G475-L479 WeakPolarHBondContact O-CG 3.47Å; G475-L479 PolarHBondContact O-N 3.4Å; G475-L479 VanDerWaalsContact O-N 3.08Å; L476-L479 WeakPolarHBondContact O-CB 3.41Å; L476-L479 PolarHBondContact O-N 3.44Å; L477-L479 VanDerWaalsContact C-N 3.31Å; L477-L479 PolarHBondContact O-N 3.18Å; L479-Q481 PolarHBondContact O-N 3.39Å; L479-C482 WeakPolarHBondContact O-CB 3.47Å; L479-C482 PolarHBondContact O-N 3.02Å; L479-A491 HydrophobicContact CB-CB 3.59Å |
| 480 | T | 77.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.3 | -21.4 | 174 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | L476 L477 L478 Q488 A491 I495 L515 L519 | L476-T480 WeakPolarHBondContact O-CG2 3.2Å; L476-T480 PolarHBondContact O-N 3.26Å; L477-T480 WeakPolarHBondContact O-CB 3.16Å; L477-T480 PolarHBondContact O-N 3.39Å; L477-T480 PolarHBondContact O-OG1 3.25Å; L478-T480 PolarHBondContact O-N 2.98Å; T480-Q488 VanDerWaalsContact O-CG 3.28Å; T480-Q488 WeakPolarHBondContact O-CG 3.43Å; T480-Q488 PolarHBondContact O-NE2 3.05Å; T480-A491 HydrophobicContact CG2-CB 3.75Å; T480-I495 HydrophobicContact CG2-CD1 3.82Å; T480-L515 HydrophobicContact CG2-CD2 4.19Å; T480-L515 WeakPolarHBondContact OG1-CD1 3.4Å; T480-L515 WeakPolarHBondContact OG1-CD2 3.47Å; T480-L519 HydrophobicContact CG2-CD1 4.36Å |
| 481 | Q | 79.2 | Confident | 78 | Confident | 128 Ų | 128 | 42.9 Ų | 42.9 | 60% | 0.598 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -90.6 | -6.3 | 179.4 | -63 | 178.6 | -6.5 | 0 | 0 | 113.2 | L477 L478 L479 | L477-Q481 PolarHBondContact O-N 2.96Å; L478-Q481 PolarHBondContact O-N 3.43Å; L479-Q481 PolarHBondContact O-N 3.39Å |
| 482 | C | 78.9 | Confident | 77.9 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -68.6 | 145 | -177.4 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | I442 L478 L479 N484 Q488 | I442-C482 HydrophobicContact CD1-CB 4.39Å; L478-C482 PolarHBondContact O-N 3.31Å; L478-C482 PolarHBondContact O-SG 2.6Å; L479-C482 WeakPolarHBondContact O-CB 3.47Å; L479-C482 PolarHBondContact O-N 3.02Å; C482-N484 PolarHBondContact O-N 3.16Å; C482-N484 VanDerWaalsContact O-N 3.16Å; C482-Q488 WeakPolarHBondContact O-CG 3.41Å; C482-Q488 PolarHBondContact O-NE2 2.85Å |
| 483 | E | 72.1 | Confident | 77.5 | Confident | 194 Ų | 194 | 42.3 Ų | 42.3 | 91% | 0.907 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -62.2 | -27.2 | 179.3 | -61.6 | -176.2 | 173.6 | 0 | 0 | 113.4 | K485 | E483-K485 PolarHBondContact O-N 3.05Š|
| 484 | N | 74.5 | Confident | 77.5 | Confident | 63 Ų | 63 | 41.6 Ų | 41.6 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | trans | -74 | 103.5 | -179.7 | -170.4 | -24.6 | 0 | 0 | 0 | 111.3 | C482 L486 Y487 Q488 | C482-N484 PolarHBondContact O-N 3.16Å; C482-N484 VanDerWaalsContact O-N 3.16Å; N484-L486 PolarHBondContact O-N 3.32Å; N484-L486 WeakPolarHBondContact OD1-CB 3.45Å; N484-L486 PolarHBondContact OD1-N 3Å; N484-Y487 HydrophobicContact CB-CD2 3.49Å; N484-Y487 VanDerWaalsContact CB-CD2 3.49Å; N484-Y487 HydrophobicContact CB-CE2 3.96Å; N484-Y487 HydrophobicContact CB-CG 3.85Å; N484-Y487 WeakPolarHBondContact ND2-CE2 3.43Å; N484-Y487 VanDerWaalsContact ND2-CZ 3.28Å; N484-Y487 WeakPolarHBondContact O-CB 3.5Å; N484-Y487 PolarHBondContact O-N 2.78Å; N484-Q488 PolarHBondContact O-N 2.93Å; N484-Q488 VanDerWaalsContact O-N 3.14Å | ||
| 485 | K | 69.5 | Low | 77.3 | Confident | 117 Ų | 117 | 38.3 Ų | 38.3 | 51% | 0.509 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -49 | -35.1 | 178.6 | -60.1 | 178.3 | -179.6 | -176.6 | 0 | 114.6 | E483 T489 | E483-K485 PolarHBondContact O-N 3.05Å; K485-T489 WeakPolarHBondContact O-CB 3.34Å; K485-T489 PolarHBondContact O-N 3.21Å; K485-T489 PolarHBondContact O-OG1 3.34Å |
| 486 | L | 69.2 | Low | 76.8 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 178.7 | 178.8 | 64.3 | 0 | 0 | 0 | 110.8 | I358 L361 N484 T489 I490 | I358-L486 HydrophobicContact CG2-CD2 4.43Å; L361-L486 HydrophobicContact CB-CD1 4.04Å; N484-L486 PolarHBondContact O-N 3.32Å; N484-L486 WeakPolarHBondContact OD1-CB 3.45Å; N484-L486 PolarHBondContact OD1-N 3Å; L486-T489 WeakPolarHBondContact O-CB 3.49Å; L486-T489 PolarHBondContact O-N 3Å; L486-I490 HydrophobicContact CD1-CD1 4.33Å; L486-I490 HydrophobicContact CG-CD1 4.08Å; L486-I490 WeakPolarHBondContact O-CG1 3.43Å; L486-I490 PolarHBondContact O-N 3.01Å; L486-I490 VanDerWaalsContact O-N 3.09Å |
| 487 | Y | 77.3 | Confident | 76.3 | Confident | 23 Ų | 23 | 40 Ų | 40 | 9% | 0.09 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.5 | -44.2 | -176.9 | -58.5 | -12.8 | 0 | 0 | 0 | 110.8 | I442 E443 V446 N484 T489 I490 A491 | I442-Y487 HydrophobicContact CD1-CD2 4.35Å; I442-Y487 HydrophobicContact CG1-CD2 4.25Å; I442-Y487 HydrophobicContact CG1-CE2 4.41Å; I442-Y487 HydrophobicContact CG2-CE2 3.85Å; E443-Y487 WeakPolarHBondContact CG-OH 3.42Å; E443-Y487 PolarHBondContact OE1-OH 3.5Å; V446-Y487 HydrophobicContact CB-CD1 4.21Å; V446-Y487 HydrophobicContact CG1-CD1 3.84Å; V446-Y487 HydrophobicContact CG1-CE1 4.31Å; V446-Y487 HydrophobicContact CG1-CG 4.47Å; V446-Y487 HydrophobicContact CG2-CD1 3.51Å; V446-Y487 HydrophobicContact CG2-CD2 3.79Å; V446-Y487 HydrophobicContact CG2-CE1 4.08Å; V446-Y487 HydrophobicContact CG2-CE2 4.32Å; V446-Y487 HydrophobicContact CG2-CG 3.37Å; N484-Y487 HydrophobicContact CB-CD2 3.49Å; N484-Y487 VanDerWaalsContact CB-CD2 3.49Å; N484-Y487 HydrophobicContact CB-CE2 3.96Å; N484-Y487 HydrophobicContact CB-CG 3.85Å; N484-Y487 WeakPolarHBondContact ND2-CE2 3.43Å; N484-Y487 VanDerWaalsContact ND2-CZ 3.28Å; N484-Y487 WeakPolarHBondContact O-CB 3.5Å; N484-Y487 PolarHBondContact O-N 2.78Å; Y487-T489 PolarHBondContact O-N 3.21Å; Y487-I490 PolarHBondContact O-N 3.38Å; Y487-A491 PolarHBondContact O-N 2.85Å |
| 488 | Q | 75.6 | Confident | 76.1 | Confident | 33 Ų | 33 | 38.9 Ų | 38.9 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.5 | -42.3 | 171.8 | -61.1 | -174.6 | -43.9 | 0 | 0 | 111.6 | T480 C482 N484 L492 | T480-Q488 VanDerWaalsContact O-CG 3.28Å; T480-Q488 WeakPolarHBondContact O-CG 3.43Å; T480-Q488 PolarHBondContact O-NE2 3.05Å; C482-Q488 WeakPolarHBondContact O-CG 3.41Å; C482-Q488 PolarHBondContact O-NE2 2.85Å; N484-Q488 PolarHBondContact O-N 2.93Å; N484-Q488 VanDerWaalsContact O-N 3.14Å; Q488-L492 VanDerWaalsContact O-CB 3.23Å; Q488-L492 WeakPolarHBondContact O-CB 3.43Å; Q488-L492 PolarHBondContact O-N 3.34Å |
| 489 | T | 71 | Confident | 75.5 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | -177.3 | -57.8 | 0 | 0 | 0 | 0 | 112 | L361 K485 L486 Y487 D493 | L361-T489 HydrophobicContact CD2-CG2 3.57Å; K485-T489 WeakPolarHBondContact O-CB 3.34Å; K485-T489 PolarHBondContact O-N 3.21Å; K485-T489 PolarHBondContact O-OG1 3.34Å; L486-T489 WeakPolarHBondContact O-CB 3.49Å; L486-T489 PolarHBondContact O-N 3Å; Y487-T489 PolarHBondContact O-N 3.21Å; T489-D493 VanDerWaalsContact O-CB 3.25Å; T489-D493 WeakPolarHBondContact O-CB 3.45Å; T489-D493 PolarHBondContact O-N 3.37Å |
| 490 | I | 76.9 | Confident | 74.7 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 177.1 | -67.6 | 163.4 | 0 | 0 | 0 | 110.7 | I358 L361 V446 A449 L486 Y487 D493 T494 | I358-I490 HydrophobicContact CG1-CD1 4.06Å; L361-I490 HydrophobicContact CD1-CB 4.18Å; L361-I490 HydrophobicContact CD1-CD1 4.37Å; L361-I490 HydrophobicContact CD1-CG1 3.28Å; V446-I490 HydrophobicContact CG1-CB 4.25Å; V446-I490 HydrophobicContact CG1-CD1 3.28Å; V446-I490 HydrophobicContact CG1-CG1 4.32Å; V446-I490 HydrophobicContact CG1-CG2 4.17Å; A449-I490 HydrophobicContact CB-CG2 4.01Å; L486-I490 HydrophobicContact CD1-CD1 4.33Å; L486-I490 HydrophobicContact CG-CD1 4.08Å; L486-I490 WeakPolarHBondContact O-CG1 3.43Å; L486-I490 PolarHBondContact O-N 3.01Å; L486-I490 VanDerWaalsContact O-N 3.09Å; Y487-I490 PolarHBondContact O-N 3.38Å; I490-D493 PolarHBondContact O-N 3.5Å; I490-T494 WeakPolarHBondContact O-CB 3.39Å; I490-T494 PolarHBondContact O-N 3.23Å; I490-T494 PolarHBondContact O-OG1 3.29Å |
| 491 | A | 80.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L479 T480 Y487 T494 I495 | L479-A491 HydrophobicContact CB-CB 3.59Å; T480-A491 HydrophobicContact CG2-CB 3.75Å; Y487-A491 PolarHBondContact O-N 2.85Å; A491-T494 WeakPolarHBondContact O-CB 3.09Å; A491-T494 PolarHBondContact O-N 3Å; A491-I495 WeakPolarHBondContact O-CG1 3.44Å; A491-I495 PolarHBondContact O-N 2.96Å |
| 492 | L | 77.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 176.7 | -176.6 | 60.8 | 0 | 0 | 0 | 112.2 | Q488 T494 I495 V496 L516 L519 T527 R530 | Q488-L492 VanDerWaalsContact O-CB 3.23Å; Q488-L492 WeakPolarHBondContact O-CB 3.43Å; Q488-L492 PolarHBondContact O-N 3.34Å; L492-T494 VanDerWaalsContact C-N 3.27Å; L492-T494 PolarHBondContact O-N 2.81Å; L492-I495 PolarHBondContact O-N 3.46Å; L492-V496 VanDerWaalsContact O-CG2 3.27Å; L492-V496 WeakPolarHBondContact O-CG2 3.21Å; L492-V496 PolarHBondContact O-N 2.88Å; L492-L516 HydrophobicContact CD1-CD2 3.34Å; L492-L519 HydrophobicContact CD1-CD1 3.93Å; L492-L519 HydrophobicContact CD2-CD1 4.39Å; L492-T527 HydrophobicContact CD2-CG2 4.41Å; L492-R530 HydrophobicContact CD2-CB 3.43Å; L492-R530 VanDerWaalsContact CD2-CB 3.43Å; L492-R530 HydrophobicContact CG-CB 4.22Å |
| 493 | D | 75.3 | Confident | 72.5 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 175.1 | -163.1 | 70.9 | 0 | 0 | 0 | 111.3 | R402 T489 I490 V496 I497 R530 | R402-D493 IonicContact CZ-OD2 2.61Å; R402-D493 IonicContact NH1-OD2 3.22Å; R402-D493 PolarHBondContact NH1-OD2 3.47Å; T489-D493 VanDerWaalsContact O-CB 3.25Å; T489-D493 WeakPolarHBondContact O-CB 3.45Å; T489-D493 PolarHBondContact O-N 3.37Å; I490-D493 PolarHBondContact O-N 3.5Å; D493-V496 PolarHBondContact O-N 3.06Å; D493-I497 WeakPolarHBondContact O-CD1 3.29Å; D493-I497 VanDerWaalsContact O-CG1 3.23Å; D493-I497 WeakPolarHBondContact O-CG1 3.48Å; D493-I497 PolarHBondContact O-N 3.29Å; D493-R530 IonicContact OD1-NH1 3.11Å; D493-R530 PolarHBondContact OD1-NH1 3.14Å |
| 494 | T | 79.8 | Confident | 72 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 178 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | A449 I452 L476 I490 A491 L492 V496 I497 A498 | A449-T494 WeakPolarHBondContact O-CG2 3.28Å; A449-T494 PolarHBondContact O-OG1 3.44Å; A449-T494 VanDerWaalsContact O-OG1 3.04Å; I452-T494 HydrophobicContact CB-CG2 3.98Å; I452-T494 HydrophobicContact CG2-CG2 3.68Å; L476-T494 HydrophobicContact CD1-CG2 4.28Å; L476-T494 HydrophobicContact CD2-CG2 4.25Å; I490-T494 WeakPolarHBondContact O-CB 3.39Å; I490-T494 PolarHBondContact O-N 3.23Å; I490-T494 PolarHBondContact O-OG1 3.29Å; A491-T494 WeakPolarHBondContact O-CB 3.09Å; A491-T494 PolarHBondContact O-N 3Å; L492-T494 VanDerWaalsContact C-N 3.27Å; L492-T494 PolarHBondContact O-N 2.81Å; T494-V496 VanDerWaalsContact C-N 3.34Å; T494-V496 PolarHBondContact O-N 2.8Å; T494-I497 PolarHBondContact O-N 2.95Å; T494-A498 WeakPolarHBondContact O-CB 3.17Å; T494-A498 PolarHBondContact O-N 2.89Å |
| 495 | I | 77.3 | Confident | 71.4 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 174.7 | -66.4 | 165.2 | 0 | 0 | 0 | 110.4 | L477 T480 A491 L492 I497 A498 T499 | L477-I495 HydrophobicContact CD2-CD1 4.27Å; T480-I495 HydrophobicContact CG2-CD1 3.82Å; A491-I495 WeakPolarHBondContact O-CG1 3.44Å; A491-I495 PolarHBondContact O-N 2.96Å; L492-I495 PolarHBondContact O-N 3.46Å; I495-I497 VanDerWaalsContact C-N 3.32Å; I495-I497 PolarHBondContact O-N 3.2Å; I495-A498 WeakPolarHBondContact O-CB 3.44Å; I495-A498 PolarHBondContact O-N 3.46Å; I495-T499 WeakPolarHBondContact O-CG2 3.43Å; I495-T499 PolarHBondContact O-N 3.28Å |
| 496 | V | 72.6 | Confident | 71.2 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | L492 D493 T494 T499 A534 K537 | L492-V496 VanDerWaalsContact O-CG2 3.27Å; L492-V496 WeakPolarHBondContact O-CG2 3.21Å; L492-V496 PolarHBondContact O-N 2.88Å; D493-V496 PolarHBondContact O-N 3.06Å; T494-V496 VanDerWaalsContact C-N 3.34Å; T494-V496 PolarHBondContact O-N 2.8Å; V496-T499 PolarHBondContact O-OG1 2.99Å; V496-A534 HydrophobicContact CG2-CB 3.41Å; V496-A534 VanDerWaalsContact CG2-CB 3.41Å; V496-K537 HydrophobicContact CG1-CD 4.32Å; V496-K537 PolarHBondContact O-NZ 3.49Å |
| 497 | I | 74 | Confident | 71 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.8 | -40.1 | 177.9 | -68.8 | 165 | 0 | 0 | 0 | 110.4 | F456 L457 D493 T494 I495 T499 H500 | F456-I497 HydrophobicContact CB-CG2 3.57Å; L457-I497 HydrophobicContact CD1-CD1 4.35Å; L457-I497 HydrophobicContact CD2-CG2 3.76Å; L457-I497 HydrophobicContact CG-CD1 4.47Å; L457-I497 HydrophobicContact CG-CG2 3.87Å; D493-I497 WeakPolarHBondContact O-CD1 3.29Å; D493-I497 VanDerWaalsContact O-CG1 3.23Å; D493-I497 WeakPolarHBondContact O-CG1 3.48Å; D493-I497 PolarHBondContact O-N 3.29Å; T494-I497 PolarHBondContact O-N 2.95Å; I495-I497 VanDerWaalsContact C-N 3.32Å; I495-I497 PolarHBondContact O-N 3.2Å; I497-T499 PolarHBondContact O-N 3.43Å; I497-H500 WeakPolarHBondContact O-CB 3.45Å; I497-H500 PolarHBondContact O-N 2.7Å |
| 498 | A | 74.9 | Confident | 70.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.4 | -32.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F456 Y460 I467 T494 I495 H500 | F456-A498 HydrophobicContact CD1-CB 4.21Å; F456-A498 HydrophobicContact CD2-CB 3.81Å; F456-A498 HydrophobicContact CE1-CB 3.88Å; F456-A498 HydrophobicContact CE2-CB 3.47Å; F456-A498 VanDerWaalsContact CE2-CB 3.47Å; F456-A498 HydrophobicContact CG-CB 4.18Å; F456-A498 HydrophobicContact CZ-CB 3.51Å; Y460-A498 PolarHBondContact OH-O 3.29Å; I467-A498 HydrophobicContact CD1-CB 3.9Å; T494-A498 WeakPolarHBondContact O-CB 3.17Å; T494-A498 PolarHBondContact O-N 2.89Å; I495-A498 WeakPolarHBondContact O-CB 3.44Å; I495-A498 PolarHBondContact O-N 3.46Å; A498-H500 PolarHBondContact O-N 3.38Å; A498-H500 VanDerWaalsContact O-N 3.14Å |
| 499 | T | 69 | Low | 70.4 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 15.3 | -178.2 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | I495 V496 I497 I508 K537 L538 | I495-T499 WeakPolarHBondContact O-CG2 3.43Å; I495-T499 PolarHBondContact O-N 3.28Å; V496-T499 PolarHBondContact O-OG1 2.99Å; I497-T499 PolarHBondContact O-N 3.43Å; T499-I508 HydrophobicContact CG2-CG2 4.45Å; T499-K537 WeakPolarHBondContact O-CE 3.44Å; T499-L538 HydrophobicContact CG2-CD2 3.46Å; T499-L538 VanDerWaalsContact CG2-CD2 3.46Å |
| 500 | H | 66.4 | Low | 70.4 | Confident | 135 Ų | 135 | 38.5 Ų | 38.5 | 63% | 0.625 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -31 | -177.1 | -159.6 | 66.1 | 0 | 0 | 0 | 114.8 | I497 A498 | I497-H500 WeakPolarHBondContact O-CB 3.45Å; I497-H500 PolarHBondContact O-N 2.7Å; A498-H500 PolarHBondContact O-N 3.38Å; A498-H500 VanDerWaalsContact O-N 3.14Å |
| 501 | K | 65.4 | Low | 70.1 | Confident | 102 Ų | 102 | 44.3 Ų | 44.3 | 44% | 0.443 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -97.4 | 139.1 | 173.9 | -62.1 | -164.1 | -173.3 | 176.4 | 0 | 112.2 | Y460 Q503 C505 | Y460-K501 HydrophobicContact CD1-CD 3.55Å; Y460-K501 VanDerWaalsContact CD1-CE 3.46Å; Y460-K501 HydrophobicContact CD1-CG 4.19Å; Y460-K501 HydrophobicContact CD2-CD 4.23Å; Y460-K501 HydrophobicContact CD2-CG 4.07Å; Y460-K501 HydrophobicContact CE1-CB 4Å; Y460-K501 HydrophobicContact CE1-CD 3.45Å; Y460-K501 VanDerWaalsContact CE1-CD 3.45Å; Y460-K501 HydrophobicContact CE1-CG 3.81Å; Y460-K501 HydrophobicContact CE2-CB 4.1Å; Y460-K501 HydrophobicContact CE2-CD 4.16Å; Y460-K501 HydrophobicContact CE2-CG 3.69Å; Y460-K501 HydrophobicContact CG-CD 3.96Å; Y460-K501 HydrophobicContact CG-CG 4.32Å; Y460-K501 WeakPolarHBondContact OH-CB 2.97Å; K501-Q503 PolarHBondContact O-N 3.2Å; K501-C505 WeakPolarHBondContact O-CB 3.33Å; K501-C505 PolarHBondContact O-N 3.27Å |
| 502 | K | 62.2 | Low | 69.8 | Low | 102 Ų | 102 | 44.4 Ų | 44.4 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.3 | -50.9 | -173.9 | 178.7 | 165.4 | 178.7 | 174.7 | 0 | 114.1 | Q504 C505 L506 A541 G542 | K502-Q504 PolarHBondContact O-N 2.95Å; K502-C505 WeakPolarHBondContact O-CB 3.43Å; K502-C505 PolarHBondContact O-N 2.93Å; K502-L506 PolarHBondContact O-N 3.07Å; K502-A541 WeakPolarHBondContact CD-O 3.39Å; K502-A541 WeakPolarHBondContact CG-O 3.28Å; K502-G542 PolarHBondContact NZ-O 2.79Å |
| 503 | Q | 61.2 | Low | 69.9 | Low | 158 Ų | 158 | 44.4 Ų | 44.4 | 74% | 0.738 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.8 | -47.9 | -174.4 | -94.6 | 170 | -30 | 0 | 0 | 113.5 | K501 | K501-Q503 PolarHBondContact O-N 3.2Å |
| 504 | Q | 61.6 | Low | 70 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -80.4 | -27.6 | -176.7 | -159.7 | 164.2 | 25.1 | 0 | 0 | 112.7 | Y460 S464 S468 K502 L506 S507 I508 | Y460-Q504 PolarHBondContact OH-OE1 3.19Å; S464-Q504 PolarHBondContact O-NE2 3.45Å; S464-Q504 PolarHBondContact OG-NE2 3.48Å; S464-Q504 PolarHBondContact OG-OE1 2.92Å; S468-Q504 PolarHBondContact OG-NE2 2.95Å; K502-Q504 PolarHBondContact O-N 2.95Å; Q504-L506 PolarHBondContact O-N 3.4Å; Q504-S507 PolarHBondContact O-N 3.25Å; Q504-S507 VanDerWaalsContact O-N 3.15Å; Q504-S507 PolarHBondContact O-OG 3.35Å; Q504-I508 HydrophobicContact CG-CD1 3.89Å; Q504-I508 HydrophobicContact CG-CG1 4.38Å; Q504-I508 WeakPolarHBondContact O-CG1 3.5Å; Q504-I508 PolarHBondContact O-N 3.02Å; Q504-I508 VanDerWaalsContact O-N 3.13Å |
| 505 | C | 62.1 | Low | 69.8 | Low | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -51.4 | -47.3 | 173.3 | -165.8 | 0 | 0 | 0 | 0 | 110.5 | K501 K502 S507 I508 I509 L538 A541 | K501-C505 WeakPolarHBondContact O-CB 3.33Å; K501-C505 PolarHBondContact O-N 3.27Å; K502-C505 WeakPolarHBondContact O-CB 3.43Å; K502-C505 PolarHBondContact O-N 2.93Å; C505-S507 PolarHBondContact O-N 3.47Å; C505-I508 PolarHBondContact O-N 2.99Å; C505-I508 VanDerWaalsContact O-N 3.12Å; C505-I509 HydrophobicContact CB-CD1 4.41Å; C505-I509 WeakPolarHBondContact O-CB 3.41Å; C505-I509 WeakPolarHBondContact O-CD1 3.46Å; C505-I509 WeakPolarHBondContact O-CG1 3.47Å; C505-I509 PolarHBondContact O-N 3.36Å; C505-L538 WeakPolarHBondContact SG-CD2 3.3Å; C505-A541 HydrophobicContact CB-CB 4.22Å |
| 506 | L | 65.6 | Low | 69.9 | Low | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -41.6 | 179.7 | -64.3 | 174 | 0 | 0 | 0 | 113 | K502 Q504 I508 I509 A586 | K502-L506 PolarHBondContact O-N 3.07Å; Q504-L506 PolarHBondContact O-N 3.4Å; L506-I508 VanDerWaalsContact C-N 3.34Å; L506-I508 PolarHBondContact O-N 3.02Å; L506-I509 HydrophobicContact CD2-CD1 4.04Å; L506-A586 HydrophobicContact CD2-CB 4.26Å |
| 507 | S | 65.4 | Low | 70.2 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -31.2 | 177.4 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | Q504 C505 | Q504-S507 PolarHBondContact O-N 3.25Å; Q504-S507 VanDerWaalsContact O-N 3.15Å; Q504-S507 PolarHBondContact O-OG 3.35Å; C505-S507 PolarHBondContact O-N 3.47Å |
| 508 | I | 69.4 | Low | 70.4 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -87.2 | -29.5 | -177.5 | -65.6 | 171.8 | 0 | 0 | 0 | 110.9 | I467 F473 T499 Q504 C505 L506 S510 K511 A512 | I467-I508 HydrophobicContact CD1-CD1 4.29Å; I467-I508 HydrophobicContact CG2-CD1 4.43Å; F473-I508 HydrophobicContact CE2-CG2 3.78Å; F473-I508 HydrophobicContact CZ-CG2 3.69Å; T499-I508 HydrophobicContact CG2-CG2 4.45Å; Q504-I508 HydrophobicContact CG-CD1 3.89Å; Q504-I508 HydrophobicContact CG-CG1 4.38Å; Q504-I508 WeakPolarHBondContact O-CG1 3.5Å; Q504-I508 PolarHBondContact O-N 3.02Å; Q504-I508 VanDerWaalsContact O-N 3.13Å; C505-I508 PolarHBondContact O-N 2.99Å; C505-I508 VanDerWaalsContact O-N 3.12Å; L506-I508 VanDerWaalsContact C-N 3.34Å; L506-I508 PolarHBondContact O-N 3.02Å; I508-S510 VanDerWaalsContact C-N 3.33Å; I508-S510 PolarHBondContact O-N 2.74Å; I508-K511 PolarHBondContact O-N 3.07Å; I508-A512 HydrophobicContact CG2-CB 3.94Å; I508-A512 VanDerWaalsContact O-CB 3.25Å; I508-A512 WeakPolarHBondContact O-CB 3.38Å; I508-A512 PolarHBondContact O-N 3.2Å |
| 509 | I | 70.5 | Confident | 70.5 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.4 | -47.7 | -174.3 | -84.8 | 161.1 | 0 | 0 | 0 | 111.7 | C505 L506 K511 A512 V513 L538 A541 A582 | C505-I509 HydrophobicContact CB-CD1 4.41Å; C505-I509 WeakPolarHBondContact O-CB 3.41Å; C505-I509 WeakPolarHBondContact O-CD1 3.46Å; C505-I509 WeakPolarHBondContact O-CG1 3.47Å; C505-I509 PolarHBondContact O-N 3.36Å; L506-I509 HydrophobicContact CD2-CD1 4.04Å; I509-K511 VanDerWaalsContact C-N 3.33Å; I509-K511 PolarHBondContact O-N 3.43Å; I509-A512 PolarHBondContact O-N 3.25Å; I509-V513 HydrophobicContact CG2-CG2 3.96Å; I509-V513 WeakPolarHBondContact O-CB 3.37Å; I509-V513 VanDerWaalsContact O-CG2 3.25Å; I509-V513 WeakPolarHBondContact O-CG2 3.34Å; I509-V513 PolarHBondContact O-N 3.35Å; I509-L538 HydrophobicContact CD1-CD2 4.34Å; I509-L538 HydrophobicContact CG1-CB 4.14Å; I509-L538 HydrophobicContact CG1-CD1 4.2Å; I509-L538 HydrophobicContact CG1-CD2 3.6Å; I509-L538 HydrophobicContact CG1-CG 4.18Å; I509-A541 HydrophobicContact CD1-CB 3.87Å; I509-A582 HydrophobicContact CG2-CB 3.56Å |
| 510 | S | 69.8 | Low | 70.9 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | -174.4 | 63 | 0 | 0 | 0 | 0 | 113 | I508 P514 | I508-S510 VanDerWaalsContact C-N 3.33Å; I508-S510 PolarHBondContact O-N 2.74Å; S510-P514 WeakPolarHBondContact O-CD 3.37Å |
| 511 | K | 71.6 | Confident | 71.4 | Confident | 127 Ų | 127 | 49.5 Ų | 49.5 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -82.3 | -34.1 | 176.8 | -65.2 | -174.4 | 178.6 | -175.9 | 0 | 112.8 | F473 I508 I509 | F473-K511 HydrophobicContact CD1-CD 4.26Å; F473-K511 HydrophobicContact CE1-CB 3.79Å; F473-K511 HydrophobicContact CE1-CD 4.17Å; I508-K511 PolarHBondContact O-N 3.07Å; I509-K511 VanDerWaalsContact C-N 3.33Å; I509-K511 PolarHBondContact O-N 3.43Å |
| 512 | A | 74.5 | Confident | 71.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -77.7 | -37.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F473 I508 I509 L515 L516 L538 | F473-A512 HydrophobicContact CZ-CB 4.5Å; I508-A512 HydrophobicContact CG2-CB 3.94Å; I508-A512 VanDerWaalsContact O-CB 3.25Å; I508-A512 WeakPolarHBondContact O-CB 3.38Å; I508-A512 PolarHBondContact O-N 3.2Å; I509-A512 PolarHBondContact O-N 3.25Å; A512-L515 PolarHBondContact O-N 2.95Å; A512-L516 HydrophobicContact CB-CD1 4.41Å; A512-L516 VanDerWaalsContact O-CG 3.28Å; A512-L516 WeakPolarHBondContact O-CG 3.42Å; A512-L516 PolarHBondContact O-N 3.48Å; A512-L538 HydrophobicContact CB-CD1 4.31Å |
| 513 | V | 79.6 | Confident | 72 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -51.3 | -174.8 | 167.9 | 0 | 0 | 0 | 0 | 112.7 | I509 L515 L516 Q517 L535 L538 L551 | I509-V513 HydrophobicContact CG2-CG2 3.96Å; I509-V513 WeakPolarHBondContact O-CB 3.37Å; I509-V513 VanDerWaalsContact O-CG2 3.25Å; I509-V513 WeakPolarHBondContact O-CG2 3.34Å; I509-V513 PolarHBondContact O-N 3.35Å; V513-L515 VanDerWaalsContact C-N 3.27Å; V513-L515 PolarHBondContact O-N 3.17Å; V513-L516 PolarHBondContact O-N 2.71Å; V513-L516 VanDerWaalsContact O-N 3.15Å; V513-Q517 HydrophobicContact CG1-CG 4.34Å; V513-Q517 WeakPolarHBondContact O-CG 3.28Å; V513-Q517 PolarHBondContact O-N 3.33Å; V513-L535 HydrophobicContact CG1-CD2 4.4Å; V513-L535 HydrophobicContact CG2-CD2 4.45Å; V513-L538 HydrophobicContact CG2-CD1 3.88Å; V513-L551 HydrophobicContact CG2-CD2 4.08Å |
| 514 | P | 77.7 | Confident | 72.2 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.4 | -39 | 179.3 | -24.7 | 34.8 | 0 | 0 | 0 | 113.2 | S510 S518 | S510-P514 WeakPolarHBondContact O-CD 3.37Å; P514-S518 PolarHBondContact O-N 3.29Å; P514-S518 VanDerWaalsContact O-N 3.08Å |
| 515 | L | 75.6 | Confident | 72.5 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -44.1 | 178.1 | -176.9 | 130.5 | 0 | 0 | 0 | 111.2 | L477 T480 A512 V513 Q517 S518 L519 | L477-L515 HydrophobicContact CB-CD1 3.99Å; L477-L515 HydrophobicContact CD2-CB 4.37Å; L477-L515 HydrophobicContact CD2-CD1 3.68Å; L477-L515 HydrophobicContact CD2-CD2 4.01Å; L477-L515 HydrophobicContact CD2-CG 4.21Å; L477-L515 HydrophobicContact CG-CD1 4.34Å; T480-L515 HydrophobicContact CG2-CD2 4.19Å; T480-L515 WeakPolarHBondContact OG1-CD1 3.4Å; T480-L515 WeakPolarHBondContact OG1-CD2 3.47Å; A512-L515 PolarHBondContact O-N 2.95Å; V513-L515 VanDerWaalsContact C-N 3.27Å; V513-L515 PolarHBondContact O-N 3.17Å; L515-Q517 VanDerWaalsContact C-N 3.31Å; L515-Q517 PolarHBondContact O-N 3.15Å; L515-S518 WeakPolarHBondContact O-CB 3.47Å; L515-S518 PolarHBondContact O-N 3.5Å; L515-S518 VanDerWaalsContact O-N 3.11Å; L515-S518 PolarHBondContact O-OG 3.01Å; L515-L519 HydrophobicContact CD2-CD1 3.58Å; L515-L519 HydrophobicContact CD2-CG 4.2Å; L515-L519 HydrophobicContact CG-CD1 4.45Å; L515-L519 WeakPolarHBondContact O-CG 3.46Å; L515-L519 PolarHBondContact O-N 3.47Å |
| 516 | L | 78.4 | Confident | 72.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 177 | -68 | 174.8 | 0 | 0 | 0 | 112.1 | L492 A512 V513 L519 Y520 A531 A534 L535 L538 | L492-L516 HydrophobicContact CD1-CD2 3.34Å; A512-L516 HydrophobicContact CB-CD1 4.41Å; A512-L516 VanDerWaalsContact O-CG 3.28Å; A512-L516 WeakPolarHBondContact O-CG 3.42Å; A512-L516 PolarHBondContact O-N 3.48Å; V513-L516 PolarHBondContact O-N 2.71Å; V513-L516 VanDerWaalsContact O-N 3.15Å; L516-L519 PolarHBondContact O-N 3.38Å; L516-Y520 WeakPolarHBondContact O-CB 3.09Å; L516-Y520 PolarHBondContact O-N 3.07Å; L516-A531 HydrophobicContact CD2-CB 4.47Å; L516-A534 HydrophobicContact CD1-CB 3.7Å; L516-A534 HydrophobicContact CD2-CB 3.71Å; L516-A534 HydrophobicContact CG-CB 4.34Å; L516-L535 HydrophobicContact CB-CD1 4.36Å; L516-L535 HydrophobicContact CB-CD2 3.74Å; L516-L535 HydrophobicContact CB-CG 3.85Å; L516-L535 HydrophobicContact CD1-CD2 4.13Å; L516-L535 HydrophobicContact CD1-CG 4.31Å; L516-L538 HydrophobicContact CD1-CD1 3.55Å; L516-L538 HydrophobicContact CD1-CG 4.46Å |
| 517 | Q | 80 | Confident | 72.8 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 170.7 | -69.5 | 172.8 | -55.4 | 0 | 0 | 111.2 | V513 L515 L519 Y520 K521 V577 D578 I580 | V513-Q517 HydrophobicContact CG1-CG 4.34Å; V513-Q517 WeakPolarHBondContact O-CG 3.28Å; V513-Q517 PolarHBondContact O-N 3.33Å; L515-Q517 VanDerWaalsContact C-N 3.31Å; L515-Q517 PolarHBondContact O-N 3.15Å; Q517-L519 PolarHBondContact O-N 3.13Å; Q517-Y520 WeakPolarHBondContact O-CB 3.33Å; Q517-Y520 PolarHBondContact O-N 3.06Å; Q517-K521 PolarHBondContact O-N 3.26Å; Q517-V577 HydrophobicContact CG-CG1 4.18Å; Q517-V577 PolarHBondContact NE2-O 3.44Å; Q517-D578 PolarHBondContact NE2-O 3.11Å; Q517-I580 PolarHBondContact NE2-O 2.88Å |
| 518 | S | 77.6 | Confident | 73.2 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 47% | 0.469 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -40 | 176.7 | 80.4 | 0 | 0 | 0 | 0 | 112.7 | P514 L515 Y520 K521 | P514-S518 PolarHBondContact O-N 3.29Å; P514-S518 VanDerWaalsContact O-N 3.08Å; L515-S518 WeakPolarHBondContact O-CB 3.47Å; L515-S518 PolarHBondContact O-N 3.5Å; L515-S518 VanDerWaalsContact O-N 3.11Å; L515-S518 PolarHBondContact O-OG 3.01Å; S518-Y520 VanDerWaalsContact C-N 3.33Å; S518-K521 PolarHBondContact O-N 3.37Å |
| 519 | L | 76.6 | Confident | 73.5 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71 | -29.3 | 176.9 | -69.3 | 178.8 | 0 | 0 | 0 | 112.3 | T480 L492 L515 L516 Q517 K521 S522 T527 A531 | T480-L519 HydrophobicContact CG2-CD1 4.36Å; L492-L519 HydrophobicContact CD1-CD1 3.93Å; L492-L519 HydrophobicContact CD2-CD1 4.39Å; L515-L519 HydrophobicContact CD2-CD1 3.58Å; L515-L519 HydrophobicContact CD2-CG 4.2Å; L515-L519 HydrophobicContact CG-CD1 4.45Å; L515-L519 WeakPolarHBondContact O-CG 3.46Å; L515-L519 PolarHBondContact O-N 3.47Å; L516-L519 PolarHBondContact O-N 3.38Å; Q517-L519 PolarHBondContact O-N 3.13Å; L519-K521 VanDerWaalsContact C-N 3.26Å; L519-K521 PolarHBondContact O-N 2.63Å; L519-S522 WeakPolarHBondContact O-CB 3.12Å; L519-S522 PolarHBondContact O-N 2.94Å; L519-S522 VanDerWaalsContact O-N 3.12Å; L519-S522 PolarHBondContact O-OG 2.85Å; L519-T527 HydrophobicContact CB-CG2 4.18Å; L519-T527 HydrophobicContact CD2-CG2 4.01Å; L519-A531 HydrophobicContact CB-CB 3.8Å |
| 520 | Y | 77.6 | Confident | 73.7 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.7 | -31.3 | 172.6 | -176.6 | -99.2 | 0 | 0 | 0 | 111.9 | L516 Q517 S518 S522 R528 L532 R565 V577 | L516-Y520 WeakPolarHBondContact O-CB 3.09Å; L516-Y520 PolarHBondContact O-N 3.07Å; Q517-Y520 WeakPolarHBondContact O-CB 3.33Å; Q517-Y520 PolarHBondContact O-N 3.06Å; S518-Y520 VanDerWaalsContact C-N 3.33Å; Y520-S522 PolarHBondContact O-N 3.5Å; Y520-R528 HydrophobicContact CD2-CG 3.68Å; Y520-R528 WeakPolarHBondContact CD2-O 3.23Å; Y520-R528 HydrophobicContact CE2-CG 3.81Å; Y520-R528 HydrophobicContact CG-CG 4.28Å; Y520-R528 WeakPolarHBondContact O-CD 3.4Å; Y520-R528 WeakPolarHBondContact O-CG 3.47Å; Y520-L532 HydrophobicContact CD2-CB 3.86Å; Y520-L532 HydrophobicContact CD2-CD1 4.43Å; Y520-L532 HydrophobicContact CE2-CB 3.77Å; Y520-L532 HydrophobicContact CE2-CD1 3.94Å; Y520-L532 HydrophobicContact CE2-CD2 4.24Å; Y520-L532 HydrophobicContact CE2-CG 4.19Å; Y520-R565 PolarHBondContact OH-NH2 3.09Å; Y520-V577 HydrophobicContact CD1-CB 3.92Å; Y520-V577 HydrophobicContact CD1-CG1 4Å; Y520-V577 HydrophobicContact CD1-CG2 3.52Å; Y520-V577 HydrophobicContact CE1-CB 4.12Å; Y520-V577 HydrophobicContact CE1-CG1 4.49Å; Y520-V577 HydrophobicContact CE1-CG2 3.21Å; Y520-V577 HydrophobicContact CG-CG1 4.39Å; Y520-V577 HydrophobicContact CG-CG2 4.45Å |
| 521 | K | 77.8 | Confident | 74 | Confident | 128 Ų | 128 | 41.3 Ų | 41.3 | 56% | 0.557 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2.2 | 172.8 | -64.2 | 178.8 | -179.3 | -178 | 0 | 113.9 | Q517 S518 L519 D578 | Q517-K521 PolarHBondContact O-N 3.26Å; S518-K521 PolarHBondContact O-N 3.37Å; L519-K521 VanDerWaalsContact C-N 3.26Å; L519-K521 PolarHBondContact O-N 2.63Å; K521-D578 WeakPolarHBondContact CE-OD1 3.32Å; K521-D578 IonicContact NZ-OD1 3.44Å; K521-D578 PolarHBondContact NZ-OD1 3.34Å; K521-D578 IonicContact NZ-OD2 3.83Å; K521-D578 PolarHBondContact NZ-OD2 3.43Å |
| 522 | S | 71.6 | Confident | 74.5 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | trans | -65.5 | 143.2 | 180 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | L519 Y520 N524 T527 R528 | L519-S522 WeakPolarHBondContact O-CB 3.12Å; L519-S522 PolarHBondContact O-N 2.94Å; L519-S522 VanDerWaalsContact O-N 3.12Å; L519-S522 PolarHBondContact O-OG 2.85Å; Y520-S522 PolarHBondContact O-N 3.5Å; S522-N524 PolarHBondContact O-N 3.41Å; S522-N524 VanDerWaalsContact O-N 3.17Å; S522-N524 PolarHBondContact OG-O 3.45Å; S522-T527 WeakPolarHBondContact OG-CB 3.13Å; S522-R528 PolarHBondContact OG-N 3.49Å | ||
| 523 | E | 67.3 | Low | 74.7 | Confident | 198 Ų | 198 | 35.5 Ų | 35.5 | 93% | 0.925 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -66.5 | -14 | 175.8 | -61.7 | -174.8 | 168.1 | 0 | 0 | 113.1 | D525 | E523-D525 PolarHBondContact O-N 2.78Š|
| 524 | N | 67 | Low | 74.5 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | trans | -86.5 | 108.8 | 180 | -179.3 | -0.5 | 0 | 0 | 0 | 110.4 | S522 G526 T527 R528 | S522-N524 PolarHBondContact O-N 3.41Å; S522-N524 VanDerWaalsContact O-N 3.17Å; S522-N524 PolarHBondContact OG-O 3.45Å; N524-G526 PolarHBondContact O-N 3.44Å; N524-G526 PolarHBondContact OD1-N 3.33Å; N524-T527 PolarHBondContact ND2-OG1 2.93Å; N524-T527 VanDerWaalsContact ND2-OG1 3.16Å; N524-T527 PolarHBondContact O-N 2.88Å; N524-T527 VanDerWaalsContact O-N 3.07Å; N524-R528 WeakPolarHBondContact O-CB 3.46Å; N524-R528 PolarHBondContact O-N 3.31Å | ||
| 525 | D | 67.4 | Low | 74.8 | Confident | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -45.8 | -42.4 | 176.7 | -60.8 | -27.9 | 0 | 0 | 0 | 113.1 | R368 E523 R528 I529 | R368-D525 IonicContact NH1-OD2 3.28Å; R368-D525 PolarHBondContact NH1-OD2 3.35Å; R368-D525 VanDerWaalsContact NH1-OD2 3.13Å; E523-D525 PolarHBondContact O-N 2.78Å; D525-R528 PolarHBondContact O-N 3.42Å; D525-R528 IonicContact OD1-CZ 3.67Å; D525-R528 IonicContact OD1-NH2 2.7Å; D525-R528 PolarHBondContact OD1-NH2 2.86Å; D525-I529 HydrophobicContact CB-CD1 4.31Å; D525-I529 VanDerWaalsContact O-CB 3.23Å; D525-I529 WeakPolarHBondContact O-CB 3.32Å; D525-I529 VanDerWaalsContact O-CD1 3.3Å; D525-I529 WeakPolarHBondContact O-CD1 3.34Å; D525-I529 WeakPolarHBondContact O-CG1 3.34Å; D525-I529 PolarHBondContact O-N 2.72Å |
| 526 | G | 66.1 | Low | 75.1 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71 | -36.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N524 R530 | N524-G526 PolarHBondContact O-N 3.44Å; N524-G526 PolarHBondContact OD1-N 3.33Å; G526-R530 VanDerWaalsContact O-CG 3.31Å; G526-R530 WeakPolarHBondContact O-CG 3.36Å; G526-R530 PolarHBondContact O-N 2.83Å |
| 527 | T | 67.4 | Low | 75.1 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.5 | -47.1 | 173.8 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | L492 L519 S522 N524 I529 R530 A531 | L492-T527 HydrophobicContact CD2-CG2 4.41Å; L519-T527 HydrophobicContact CB-CG2 4.18Å; L519-T527 HydrophobicContact CD2-CG2 4.01Å; S522-T527 WeakPolarHBondContact OG-CB 3.13Å; N524-T527 PolarHBondContact ND2-OG1 2.93Å; N524-T527 VanDerWaalsContact ND2-OG1 3.16Å; N524-T527 PolarHBondContact O-N 2.88Å; N524-T527 VanDerWaalsContact O-N 3.07Å; T527-I529 PolarHBondContact O-N 3.45Å; T527-R530 PolarHBondContact O-N 3.32Å; T527-A531 WeakPolarHBondContact O-CB 3.44Å; T527-A531 PolarHBondContact O-N 3.43Å |
| 528 | R | 74.4 | Confident | 75 | Confident | 57 Ų | 57 | 30.7 Ų | 30.7 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.8 | -49 | 177.4 | 172.3 | 178.4 | 71 | -171.2 | -5.1 | 112.7 | Y520 S522 N524 D525 R530 A531 L532 | Y520-R528 HydrophobicContact CD2-CG 3.68Å; Y520-R528 WeakPolarHBondContact CD2-O 3.23Å; Y520-R528 HydrophobicContact CE2-CG 3.81Å; Y520-R528 HydrophobicContact CG-CG 4.28Å; Y520-R528 WeakPolarHBondContact O-CD 3.4Å; Y520-R528 WeakPolarHBondContact O-CG 3.47Å; S522-R528 PolarHBondContact OG-N 3.49Å; N524-R528 WeakPolarHBondContact O-CB 3.46Å; N524-R528 PolarHBondContact O-N 3.31Å; D525-R528 PolarHBondContact O-N 3.42Å; D525-R528 IonicContact OD1-CZ 3.67Å; D525-R528 IonicContact OD1-NH2 2.7Å; D525-R528 PolarHBondContact OD1-NH2 2.86Å; R528-R530 PolarHBondContact O-N 3.42Å; R528-A531 PolarHBondContact O-N 3.16Å; R528-L532 PolarHBondContact O-N 3.17Å |
| 529 | I | 74.1 | Confident | 74.9 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | -178.9 | -71.6 | 165.4 | 0 | 0 | 0 | 110.8 | D525 T527 L532 V533 L566 S640 W643 | D525-I529 HydrophobicContact CB-CD1 4.31Å; D525-I529 VanDerWaalsContact O-CB 3.23Å; D525-I529 WeakPolarHBondContact O-CB 3.32Å; D525-I529 VanDerWaalsContact O-CD1 3.3Å; D525-I529 WeakPolarHBondContact O-CD1 3.34Å; D525-I529 WeakPolarHBondContact O-CG1 3.34Å; D525-I529 PolarHBondContact O-N 2.72Å; T527-I529 PolarHBondContact O-N 3.45Å; I529-L532 WeakPolarHBondContact O-CB 3.39Å; I529-L532 PolarHBondContact O-N 3.38Å; I529-V533 WeakPolarHBondContact O-CG2 3.44Å; I529-V533 PolarHBondContact O-N 2.85Å; I529-L566 HydrophobicContact CD1-CD2 4.37Å; I529-L566 HydrophobicContact CG1-CD1 4.07Å; I529-L566 HydrophobicContact CG1-CD2 4.04Å; I529-S640 WeakPolarHBondContact CD1-OG 3.35Å; I529-W643 HydrophobicContact CG2-CB 3.12Å; I529-W643 HydrophobicContact CG2-CD2 4.07Å; I529-W643 HydrophobicContact CG2-CG 3.35Å |
| 530 | R | 74.8 | Confident | 74.9 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 4% | 0.038 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.8 | -39.8 | 176.2 | -74.8 | 175.1 | -178.1 | -121.3 | 2.9 | 112.5 | L492 D493 G526 T527 R528 L532 V533 A534 W643 | L492-R530 HydrophobicContact CD2-CB 3.43Å; L492-R530 VanDerWaalsContact CD2-CB 3.43Å; L492-R530 HydrophobicContact CG-CB 4.22Å; D493-R530 IonicContact OD1-NH1 3.11Å; D493-R530 PolarHBondContact OD1-NH1 3.14Å; G526-R530 VanDerWaalsContact O-CG 3.31Å; G526-R530 WeakPolarHBondContact O-CG 3.36Å; G526-R530 PolarHBondContact O-N 2.83Å; T527-R530 PolarHBondContact O-N 3.32Å; R528-R530 PolarHBondContact O-N 3.42Å; R530-L532 VanDerWaalsContact C-N 3.27Å; R530-L532 PolarHBondContact O-N 3.45Å; R530-V533 PolarHBondContact O-N 3.11Å; R530-A534 WeakPolarHBondContact O-CB 3.49Å; R530-A534 PolarHBondContact O-N 3.3Å; R530-W643 HydrophobicContact CG-CH2 3.99Å; R530-W643 HydrophobicContact CG-CZ2 4.33Å; R530-W643 HydrophobicContact CG-CZ3 4.38Å |
| 531 | A | 77.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | L516 L519 T527 R528 A534 L535 | L516-A531 HydrophobicContact CD2-CB 4.47Å; L519-A531 HydrophobicContact CB-CB 3.8Å; T527-A531 WeakPolarHBondContact O-CB 3.44Å; T527-A531 PolarHBondContact O-N 3.43Å; R528-A531 PolarHBondContact O-N 3.16Å; A531-A534 WeakPolarHBondContact O-CB 3.18Å; A531-A534 PolarHBondContact O-N 2.78Å; A531-L535 WeakPolarHBondContact O-CG 3.48Å; A531-L535 PolarHBondContact O-N 3.38Å |
| 532 | L | 81.3 | Confident | 73.9 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 173.1 | -178.8 | 64.3 | 0 | 0 | 0 | 112.4 | Y520 R528 I529 R530 A534 L535 C536 L559 A562 L566 | Y520-L532 HydrophobicContact CD2-CB 3.86Å; Y520-L532 HydrophobicContact CD2-CD1 4.43Å; Y520-L532 HydrophobicContact CE2-CB 3.77Å; Y520-L532 HydrophobicContact CE2-CD1 3.94Å; Y520-L532 HydrophobicContact CE2-CD2 4.24Å; Y520-L532 HydrophobicContact CE2-CG 4.19Å; R528-L532 PolarHBondContact O-N 3.17Å; I529-L532 WeakPolarHBondContact O-CB 3.39Å; I529-L532 PolarHBondContact O-N 3.38Å; R530-L532 VanDerWaalsContact C-N 3.27Å; R530-L532 PolarHBondContact O-N 3.45Å; L532-A534 VanDerWaalsContact C-N 3.25Å; L532-A534 PolarHBondContact O-N 2.82Å; L532-L535 PolarHBondContact O-N 3.45Å; L532-C536 PolarHBondContact O-N 2.84Å; L532-C536 PolarHBondContact O-SG 3.04Å; L532-L559 HydrophobicContact CD1-CD2 3.73Å; L532-A562 HydrophobicContact CD1-CB 3.62Å; L532-A562 HydrophobicContact CD2-CB 3.94Å; L532-A562 HydrophobicContact CG-CB 4.45Å; L532-L566 HydrophobicContact CD2-CD1 3.42Å; L532-L566 VanDerWaalsContact CD2-CD1 3.42Å; L532-L566 HydrophobicContact CD2-CG 4.47Å |
| 533 | V | 78 | Confident | 73.9 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | I529 R530 C536 K537 W643 E646 Y650 | I529-V533 WeakPolarHBondContact O-CG2 3.44Å; I529-V533 PolarHBondContact O-N 2.85Å; R530-V533 PolarHBondContact O-N 3.11Å; V533-C536 WeakPolarHBondContact O-CB 3.26Å; V533-C536 PolarHBondContact O-N 2.61Å; V533-K537 PolarHBondContact O-N 3.39Å; V533-W643 HydrophobicContact CG2-CB 4.23Å; V533-W643 HydrophobicContact CG2-CE3 4.06Å; V533-W643 WeakPolarHBondContact CG2-O 3.45Å; V533-E646 HydrophobicContact CG1-CG 4.23Å; V533-Y650 HydrophobicContact CG1-CE2 4.35Å |
| 534 | A | 76.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V496 L516 R530 A531 L532 C536 K537 L538 | V496-A534 HydrophobicContact CG2-CB 3.41Å; V496-A534 VanDerWaalsContact CG2-CB 3.41Å; L516-A534 HydrophobicContact CD1-CB 3.7Å; L516-A534 HydrophobicContact CD2-CB 3.71Å; L516-A534 HydrophobicContact CG-CB 4.34Å; R530-A534 WeakPolarHBondContact O-CB 3.49Å; R530-A534 PolarHBondContact O-N 3.3Å; A531-A534 WeakPolarHBondContact O-CB 3.18Å; A531-A534 PolarHBondContact O-N 2.78Å; L532-A534 VanDerWaalsContact C-N 3.25Å; L532-A534 PolarHBondContact O-N 2.82Å; A534-C536 VanDerWaalsContact C-N 3.31Å; A534-C536 PolarHBondContact O-N 3.04Å; A534-K537 PolarHBondContact O-N 3.38Å; A534-K537 VanDerWaalsContact O-N 3.15Å; A534-L538 WeakPolarHBondContact O-CG 3.43Å; A534-L538 PolarHBondContact O-N 3.39Å |
| 535 | L | 82.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 176.2 | -71.5 | 167.1 | 0 | 0 | 0 | 111.7 | V513 L516 A531 L532 K537 L538 G539 L559 V577 | V513-L535 HydrophobicContact CG1-CD2 4.4Å; V513-L535 HydrophobicContact CG2-CD2 4.45Å; L516-L535 HydrophobicContact CB-CD1 4.36Å; L516-L535 HydrophobicContact CB-CD2 3.74Å; L516-L535 HydrophobicContact CB-CG 3.85Å; L516-L535 HydrophobicContact CD1-CD2 4.13Å; L516-L535 HydrophobicContact CD1-CG 4.31Å; A531-L535 WeakPolarHBondContact O-CG 3.48Å; A531-L535 PolarHBondContact O-N 3.38Å; L532-L535 PolarHBondContact O-N 3.45Å; L535-K537 VanDerWaalsContact C-N 3.33Å; L535-K537 PolarHBondContact O-N 2.93Å; L535-L538 PolarHBondContact O-N 3.11Å; L535-G539 PolarHBondContact O-N 2.94Å; L535-L559 HydrophobicContact CB-CD1 4.39Å; L535-L559 HydrophobicContact CB-CD2 3.73Å; L535-L559 HydrophobicContact CD1-CD2 4.42Å; L535-V577 HydrophobicContact CD1-CG1 3.91Å |
| 536 | C | 83.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 174.6 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | L532 V533 A534 G539 A540 G647 I651 | L532-C536 PolarHBondContact O-N 2.84Å; L532-C536 PolarHBondContact O-SG 3.04Å; V533-C536 WeakPolarHBondContact O-CB 3.26Å; V533-C536 PolarHBondContact O-N 2.61Å; A534-C536 VanDerWaalsContact C-N 3.31Å; A534-C536 PolarHBondContact O-N 3.04Å; C536-G539 PolarHBondContact O-N 2.71Å; C536-A540 PolarHBondContact O-N 3.03Å; C536-G647 WeakPolarHBondContact CB-O 3.36Å; C536-I651 HydrophobicContact CB-CG2 3.77Å |
| 537 | K | 77.7 | Confident | 73.7 | Confident | 15 Ų | 15 | 16.5 Ų | 16.5 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 177.1 | -173.7 | 175.5 | 178.1 | -171.9 | 0 | 112.1 | V496 T499 V533 A534 L535 G539 A540 Y650 | V496-K537 HydrophobicContact CG1-CD 4.32Å; V496-K537 PolarHBondContact O-NZ 3.49Å; T499-K537 WeakPolarHBondContact O-CE 3.44Å; V533-K537 PolarHBondContact O-N 3.39Å; A534-K537 PolarHBondContact O-N 3.38Å; A534-K537 VanDerWaalsContact O-N 3.15Å; L535-K537 VanDerWaalsContact C-N 3.33Å; L535-K537 PolarHBondContact O-N 2.93Å; K537-G539 VanDerWaalsContact C-N 3.32Å; K537-G539 PolarHBondContact O-N 3.1Å; K537-A540 PolarHBondContact O-N 3.02Å; K537-Y650 HydrophobicContact CB-CD1 4.2Å; K537-Y650 HydrophobicContact CB-CD2 4.03Å; K537-Y650 HydrophobicContact CB-CE1 4.41Å; K537-Y650 HydrophobicContact CB-CE2 4.25Å; K537-Y650 HydrophobicContact CB-CG 4.01Å; K537-Y650 HydrophobicContact CD-CE1 4.01Å; K537-Y650 HydrophobicContact CD-CE2 4.43Å; K537-Y650 HydrophobicContact CG-CD1 3.91Å; K537-Y650 HydrophobicContact CG-CD2 4.5Å; K537-Y650 HydrophobicContact CG-CE1 3.85Å; K537-Y650 HydrophobicContact CG-CE2 4.45Å; K537-Y650 HydrophobicContact CG-CG 4.24Å |
| 538 | L | 77.8 | Confident | 73.7 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 174.5 | -67.2 | -173.3 | 0 | 0 | 0 | 112.1 | T499 C505 I509 A512 V513 L516 A534 L535 A540 A541 S550 | T499-L538 HydrophobicContact CG2-CD2 3.46Å; T499-L538 VanDerWaalsContact CG2-CD2 3.46Å; C505-L538 WeakPolarHBondContact SG-CD2 3.3Å; I509-L538 HydrophobicContact CD1-CD2 4.34Å; I509-L538 HydrophobicContact CG1-CB 4.14Å; I509-L538 HydrophobicContact CG1-CD1 4.2Å; I509-L538 HydrophobicContact CG1-CD2 3.6Å; I509-L538 HydrophobicContact CG1-CG 4.18Å; A512-L538 HydrophobicContact CB-CD1 4.31Å; V513-L538 HydrophobicContact CG2-CD1 3.88Å; L516-L538 HydrophobicContact CD1-CD1 3.55Å; L516-L538 HydrophobicContact CD1-CG 4.46Å; A534-L538 WeakPolarHBondContact O-CG 3.43Å; A534-L538 PolarHBondContact O-N 3.39Å; L535-L538 PolarHBondContact O-N 3.11Å; L538-A540 PolarHBondContact O-N 3.38Å; L538-A541 VanDerWaalsContact O-CB 3.28Å; L538-A541 WeakPolarHBondContact O-CB 3.44Å; L538-A541 PolarHBondContact O-N 2.85Å; L538-S550 WeakPolarHBondContact O-CB 3.47Å; L538-S550 PolarHBondContact O-OG 3.27Å |
| 539 | G | 75.9 | Confident | 73.5 | Confident | 7 Ų | 7 | 20.2 Ų | 20.2 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -21.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L535 C536 K537 S550 L551 N556 | L535-G539 PolarHBondContact O-N 2.94Å; C536-G539 PolarHBondContact O-N 2.71Å; K537-G539 VanDerWaalsContact C-N 3.32Å; K537-G539 PolarHBondContact O-N 3.1Å; G539-S550 PolarHBondContact O-OG 3.3Å; G539-L551 VanDerWaalsContact CA-CD1 3.43Å; G539-N556 WeakPolarHBondContact CA-OD1 3.32Å; G539-N556 PolarHBondContact O-ND2 3.47Å |
| 540 | A | 76.4 | Confident | 73.3 | Confident | 14 Ų | 14 | 20.2 Ų | 20.2 | 12% | 0.116 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C536 K537 L538 G542 G543 Y650 M653 | C536-A540 PolarHBondContact O-N 3.03Å; K537-A540 PolarHBondContact O-N 3.02Å; L538-A540 PolarHBondContact O-N 3.38Å; A540-G542 PolarHBondContact O-N 3.32Å; A540-G542 VanDerWaalsContact O-N 3.13Å; A540-G543 PolarHBondContact O-N 3.41Å; A540-Y650 VanDerWaalsContact CB-O 3.24Å; A540-Y650 WeakPolarHBondContact CB-O 3.47Å; A540-M653 HydrophobicContact CB-SD 4.17Å |
| 541 | A | 70.2 | Confident | 73.4 | Confident | 11 Ų | 11 | 20 Ų | 20 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K502 C505 I509 L538 G543 | K502-A541 WeakPolarHBondContact CD-O 3.39Å; K502-A541 WeakPolarHBondContact CG-O 3.28Å; C505-A541 HydrophobicContact CB-CB 4.22Å; I509-A541 HydrophobicContact CD1-CB 3.87Å; L538-A541 VanDerWaalsContact O-CB 3.28Å; L538-A541 WeakPolarHBondContact O-CB 3.44Å; L538-A541 PolarHBondContact O-N 2.85Å; A541-G543 VanDerWaalsContact C-N 3.27Å; A541-G543 PolarHBondContact O-N 2.97Å |
| 542 | G | 63.7 | Low | 73.3 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K502 A540 V548 | K502-G542 PolarHBondContact NZ-O 2.79Å; A540-G542 PolarHBondContact O-N 3.32Å; A540-G542 VanDerWaalsContact O-N 3.13Å; G542-V548 VanDerWaalsContact CA-O 3.27Å; G542-V548 WeakPolarHBondContact CA-O 3.16Å |
| 543 | G | 71.1 | Confident | 72.8 | Confident | 25 Ų | 25 | 29.8 Ų | 29.8 | 26% | 0.258 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -142.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A540 A541 | A540-G543 PolarHBondContact O-N 3.41Å; A541-G543 VanDerWaalsContact C-N 3.27Å; A541-G543 PolarHBondContact O-N 2.97Å |
| 544 | T | 67.5 | Low | 72.6 | Confident | 94 Ų | 94 | 31.5 Ų | 31.5 | 58% | 0.577 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.3 | 176.6 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | A546 M653 | T544-A546 PolarHBondContact O-N 3.3Å; T544-M653 HydrophobicContact CG2-CE 4.17Å |
| 545 | D | 66.1 | Low | 72.9 | Confident | 21 Ų | 21 | 31.5 Ų | 31.5 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | trans | -72 | 120.9 | 179.8 | -175.9 | -4.8 | 0 | 0 | 0 | 110.3 | S547 V548 H773 P775 E776 | D545-S547 PolarHBondContact O-N 2.99Å; D545-S547 PolarHBondContact OD1-N 3.36Å; D545-S547 VanDerWaalsContact OD1-N 3.1Å; D545-S547 PolarHBondContact OD1-OG 2.97Å; D545-S547 PolarHBondContact OD2-OG 3.13Å; D545-S547 VanDerWaalsContact OD2-OG 3.13Å; D545-V548 HydrophobicContact CB-CG2 4.46Å; D545-V548 PolarHBondContact O-N 2.91Å; D545-V548 WeakPolarHBondContact OD2-CG2 3.33Å; D545-H773 IonicContact OD1-NE2 3.26Å; D545-H773 IonicContact OD2-CD2 3.55Å; D545-H773 PolarHBondContact OD2-CD2 3.46Å; D545-H773 IonicContact OD2-NE2 2.91Å; D545-H773 PolarHBondContact OD2-NE2 3.36Å; D545-P775 HydrophobicContact CB-CB 4.36Å; D545-E776 PolarHBondContact OD1-N 2.94Å; D545-E776 VanDerWaalsContact OD1-N 3.08Å | ||
| 546 | A | 65.4 | Low | 72.9 | Confident | 28 Ų | 28 | 32.6 Ų | 32.6 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65.7 | -25.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T544 E776 H778 | T544-A546 PolarHBondContact O-N 3.3Å; A546-E776 HydrophobicContact CB-CB 4.48Å; A546-E776 WeakPolarHBondContact CB-O 3.25Å; A546-E776 PolarHBondContact N-O 3.38Å; A546-E776 VanDerWaalsContact N-O 3.12Å; A546-H778 HydrophobicContact CB-CB 4.09Å |
| 547 | S | 66.1 | Low | 72.9 | Confident | 45 Ų | 45 | 34.1 Ų | 34.1 | 32% | 0.315 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -80.6 | -28.2 | -175.6 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | D545 K549 H773 | D545-S547 PolarHBondContact O-N 2.99Å; D545-S547 PolarHBondContact OD1-N 3.36Å; D545-S547 VanDerWaalsContact OD1-N 3.1Å; D545-S547 PolarHBondContact OD1-OG 2.97Å; D545-S547 PolarHBondContact OD2-OG 3.13Å; D545-S547 VanDerWaalsContact OD2-OG 3.13Å; S547-K549 PolarHBondContact O-N 2.97Å; S547-H773 PolarHBondContact OG-CE1 2.94Å; S547-H773 PolarHBondContact OG-NE2 3.26Å |
| 548 | V | 67 | Low | 73.2 | Confident | 43 Ų | 43 | 35.4 Ų | 35.4 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | trans | -93.2 | 94.4 | -176.6 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | G542 D545 | G542-V548 VanDerWaalsContact CA-O 3.27Å; G542-V548 WeakPolarHBondContact CA-O 3.16Å; D545-V548 HydrophobicContact CB-CG2 4.46Å; D545-V548 PolarHBondContact O-N 2.91Å; D545-V548 WeakPolarHBondContact OD2-CG2 3.33Å | ||
| 549 | K | 68.6 | Low | 73.6 | Confident | 94 Ų | 94 | 35.3 Ų | 35.3 | 41% | 0.409 | 22% | 0.217 | S | C | . | . | trans | -99.1 | 114.9 | 176.3 | -62.9 | -179.6 | -177.9 | 174.3 | 0 | 111.2 | S547 E553 N583 | S547-K549 PolarHBondContact O-N 2.97Å; K549-E553 IonicContact NZ-OE1 3.96Å; K549-E553 PolarHBondContact NZ-OE1 3.04Å; K549-N583 WeakPolarHBondContact O-CB 3.46Å; K549-N583 PolarHBondContact O-ND2 3.16Å | ||
| 550 | S | 71.6 | Confident | 74.1 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -81.5 | -30.2 | 178.6 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | L538 G539 N583 | L538-S550 WeakPolarHBondContact O-CB 3.47Å; L538-S550 PolarHBondContact O-OG 3.27Å; G539-S550 PolarHBondContact O-OG 3.3Å; S550-N583 PolarHBondContact O-N 2.88Å; S550-N583 VanDerWaalsContact O-N 3.1Å |
| 551 | L | 76 | Confident | 74.6 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -114 | 163.2 | 174.9 | -62.1 | 175.4 | 0 | 0 | 0 | 109.9 | V513 G539 L559 I580 A581 | V513-L551 HydrophobicContact CG2-CD2 4.08Å; G539-L551 VanDerWaalsContact CA-CD1 3.43Å; L551-L559 HydrophobicContact CD1-CD1 3.92Å; L551-I580 HydrophobicContact CD1-CG2 3.92Å; L551-I580 HydrophobicContact CD2-CG2 4.06Å; L551-I580 HydrophobicContact CG-CG2 4.48Å; L551-A581 CarbonylContact C-O 3.27Å; L551-A581 WeakPolarHBondContact CA-O 3.22Å |
| 552 | T | 75 | Confident | 75.2 | Confident | 49 Ų | 49 | 38.9 Ų | 38.9 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | trans | -58.2 | 152 | 173.9 | 49 | 0 | 0 | 0 | 0 | 112 | G554 S555 A581 | T552-G554 PolarHBondContact O-N 3.37Å; T552-S555 WeakPolarHBondContact O-CB 3.48Å; T552-S555 PolarHBondContact O-N 2.85Å; T552-S555 VanDerWaalsContact O-N 3.07Å; T552-S555 PolarHBondContact O-OG 3.39Å; T552-S555 PolarHBondContact OG1-OG 3.36Å; T552-A581 HydrophobicContact CG2-CB 3.72Å; T552-A581 PolarHBondContact N-O 3.15Å; T552-A581 PolarHBondContact OG1-N 2.94Å; T552-A581 PolarHBondContact OG1-O 3.06Å | ||
| 553 | E | 71.1 | Confident | 76.2 | Confident | 156 Ų | 156 | 38.7 Ų | 38.7 | 73% | 0.729 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 135.7 | -179.4 | -170.2 | 152.2 | -122 | 0 | 0 | 112 | K549 S555 | K549-E553 IonicContact NZ-OE1 3.96Å; K549-E553 PolarHBondContact NZ-OE1 3.04Å; E553-S555 VanDerWaalsContact C-N 3.29Å; E553-S555 PolarHBondContact O-N 2.77Å |
| 554 | G | 75.5 | Confident | 76.9 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -15.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T552 N556 V557 L558 | T552-G554 PolarHBondContact O-N 3.37Å; G554-N556 VanDerWaalsContact C-N 3.33Å; G554-N556 PolarHBondContact O-N 2.94Å; G554-V557 WeakPolarHBondContact O-CB 3.46Å; G554-V557 PolarHBondContact O-N 3.04Å; G554-L558 PolarHBondContact O-N 3.27Å |
| 555 | S | 82.2 | Confident | 77.6 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.5 | -42.7 | -179.4 | -72.2 | 0 | 0 | 0 | 0 | 113.3 | T552 E553 V557 L558 L559 | T552-S555 WeakPolarHBondContact O-CB 3.48Å; T552-S555 PolarHBondContact O-N 2.85Å; T552-S555 VanDerWaalsContact O-N 3.07Å; T552-S555 PolarHBondContact O-OG 3.39Å; T552-S555 PolarHBondContact OG1-OG 3.36Å; E553-S555 VanDerWaalsContact C-N 3.29Å; E553-S555 PolarHBondContact O-N 2.77Å; S555-V557 VanDerWaalsContact C-N 3.26Å; S555-V557 PolarHBondContact O-N 2.97Å; S555-L558 WeakPolarHBondContact O-CB 3.46Å; S555-L558 PolarHBondContact O-N 2.68Å; S555-L558 VanDerWaalsContact O-N 3.14Å; S555-L559 WeakPolarHBondContact O-CG 3.46Å; S555-L559 PolarHBondContact O-N 3.29Å |
| 556 | N | 83.1 | Confident | 78.2 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -30.8 | 179.8 | -74.2 | -31.2 | 0 | 0 | 0 | 112.7 | G539 G554 L560 V657 | G539-N556 WeakPolarHBondContact CA-OD1 3.32Å; G539-N556 PolarHBondContact O-ND2 3.47Å; G554-N556 VanDerWaalsContact C-N 3.33Å; G554-N556 PolarHBondContact O-N 2.94Å; N556-L560 WeakPolarHBondContact O-CB 3.32Å; N556-L560 PolarHBondContact O-N 3.1Å; N556-V657 HydrophobicContact CB-CG2 3.72Å |
| 557 | V | 83.9 | Confident | 79 | Confident | 33 Ų | 33 | 35.2 Ų | 35.2 | 20% | 0.2 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.3 | -35.9 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | G554 S555 L560 K561 E660 | G554-V557 WeakPolarHBondContact O-CB 3.46Å; G554-V557 PolarHBondContact O-N 3.04Å; S555-V557 VanDerWaalsContact C-N 3.26Å; S555-V557 PolarHBondContact O-N 2.97Å; V557-L560 WeakPolarHBondContact O-CB 3.17Å; V557-L560 PolarHBondContact O-N 2.99Å; V557-K561 WeakPolarHBondContact O-CG 3.43Å; V557-K561 PolarHBondContact O-N 3.29Å; V557-E660 HydrophobicContact CG1-CG 4.36Å |
| 558 | L | 83.4 | Confident | 79.7 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 172.3 | -65.8 | 175.5 | 0 | 0 | 0 | 111.5 | G554 S555 L560 K561 A562 P575 D579 I580 | G554-L558 PolarHBondContact O-N 3.27Å; S555-L558 WeakPolarHBondContact O-CB 3.46Å; S555-L558 PolarHBondContact O-N 2.68Å; S555-L558 VanDerWaalsContact O-N 3.14Å; L558-L560 VanDerWaalsContact C-N 3.33Å; L558-L560 PolarHBondContact O-N 2.85Å; L558-K561 WeakPolarHBondContact O-CB 3.2Å; L558-K561 PolarHBondContact O-N 3.41Å; L558-A562 PolarHBondContact O-N 3.01Å; L558-P575 HydrophobicContact CD2-CB 4.45Å; L558-D579 HydrophobicContact CD1-CB 4.07Å; L558-I580 HydrophobicContact CB-CD1 4.43Å; L558-I580 HydrophobicContact CD1-CG1 4.35Å |
| 559 | L | 85.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 174.2 | -67.9 | 172.9 | 0 | 0 | 0 | 111.7 | L532 L535 L551 S555 K561 A562 C563 I580 I651 | L532-L559 HydrophobicContact CD1-CD2 3.73Å; L535-L559 HydrophobicContact CB-CD1 4.39Å; L535-L559 HydrophobicContact CB-CD2 3.73Å; L535-L559 HydrophobicContact CD1-CD2 4.42Å; L551-L559 HydrophobicContact CD1-CD1 3.92Å; S555-L559 WeakPolarHBondContact O-CG 3.46Å; S555-L559 PolarHBondContact O-N 3.29Å; L559-K561 PolarHBondContact O-N 2.64Å; L559-A562 WeakPolarHBondContact O-CB 3.44Å; L559-A562 PolarHBondContact O-N 3.38Å; L559-C563 PolarHBondContact O-N 2.86Å; L559-C563 PolarHBondContact O-SG 2.64Å; L559-I580 HydrophobicContact CD2-CD1 3.62Å; L559-I580 HydrophobicContact CG-CD1 3.87Å; L559-I651 HydrophobicContact CB-CG2 4.4Å; L559-I651 HydrophobicContact CD1-CG2 4.44Å |
| 560 | L | 86.7 | Confident | 79.7 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -46.4 | 172.2 | 177.3 | 65 | 0 | 0 | 0 | 111.7 | N556 V557 L558 A562 C563 R564 M648 I651 V657 E660 I661 L667 | N556-L560 WeakPolarHBondContact O-CB 3.32Å; N556-L560 PolarHBondContact O-N 3.1Å; V557-L560 WeakPolarHBondContact O-CB 3.17Å; V557-L560 PolarHBondContact O-N 2.99Å; L558-L560 VanDerWaalsContact C-N 3.33Å; L558-L560 PolarHBondContact O-N 2.85Å; L560-A562 VanDerWaalsContact C-N 3.29Å; L560-A562 PolarHBondContact O-N 2.91Å; L560-C563 PolarHBondContact O-N 3.09Å; L560-R564 WeakPolarHBondContact O-CB 3.27Å; L560-R564 PolarHBondContact O-N 2.85Å; L560-M648 HydrophobicContact CD1-CE 3.86Å; L560-M648 HydrophobicContact CD1-CG 4.41Å; L560-I651 HydrophobicContact CB-CD1 3.84Å; L560-I651 HydrophobicContact CD1-CD1 4.06Å; L560-V657 HydrophobicContact CB-CG1 4.39Å; L560-V657 HydrophobicContact CD1-CG1 4.19Å; L560-V657 HydrophobicContact CD2-CG1 4.09Å; L560-V657 HydrophobicContact CG-CG1 4.44Å; L560-E660 HydrophobicContact CD2-CB 3.78Å; L560-E660 HydrophobicContact CD2-CG 3.65Å; L560-I661 HydrophobicContact CD1-CD1 3.81Å; L560-I661 HydrophobicContact CD1-CG1 3.57Å; L560-I661 HydrophobicContact CD2-CG1 3.78Å; L560-I661 HydrophobicContact CG-CG1 4.31Å; L560-L667 HydrophobicContact CD1-CD2 4.16Å |
| 561 | K | 86 | Confident | 78.6 | Confident | 103 Ų | 103 | 46.3 Ų | 46.3 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 178.1 | -72.4 | 171.6 | -178.8 | 174.2 | 0 | 111.8 | V557 L558 L559 R565 | V557-K561 WeakPolarHBondContact O-CG 3.43Å; V557-K561 PolarHBondContact O-N 3.29Å; L558-K561 WeakPolarHBondContact O-CB 3.2Å; L558-K561 PolarHBondContact O-N 3.41Å; L559-K561 PolarHBondContact O-N 2.64Å; K561-R565 WeakPolarHBondContact O-CB 3.46Å; K561-R565 PolarHBondContact O-N 3.02Å; K561-R565 VanDerWaalsContact O-N 3.07Å |
| 562 | A | 83.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L532 L558 L559 L560 R565 L566 P575 | L532-A562 HydrophobicContact CD1-CB 3.62Å; L532-A562 HydrophobicContact CD2-CB 3.94Å; L532-A562 HydrophobicContact CG-CB 4.45Å; L558-A562 PolarHBondContact O-N 3.01Å; L559-A562 WeakPolarHBondContact O-CB 3.44Å; L559-A562 PolarHBondContact O-N 3.38Å; L560-A562 VanDerWaalsContact C-N 3.29Å; L560-A562 PolarHBondContact O-N 2.91Å; A562-R565 WeakPolarHBondContact O-CB 3.42Å; A562-R565 PolarHBondContact O-N 3.15Å; A562-L566 PolarHBondContact O-N 3.43Å; A562-P575 HydrophobicContact CB-CG 4.15Å |
| 563 | C | 85.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 174.8 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | L559 L560 R565 L566 L567 A644 M648 | L559-C563 PolarHBondContact O-N 2.86Å; L559-C563 PolarHBondContact O-SG 2.64Å; L560-C563 PolarHBondContact O-N 3.09Å; C563-R565 PolarHBondContact O-N 3.21Å; C563-L566 PolarHBondContact O-N 3.4Å; C563-L566 VanDerWaalsContact O-N 3.14Å; C563-L567 PolarHBondContact O-N 2.88Å; C563-A644 WeakPolarHBondContact O-CB 3.32Å; C563-M648 HydrophobicContact CB-CG 3.65Å; C563-M648 HydrophobicContact CB-SD 4.2Å |
| 564 | R | 85.9 | Confident | 75.5 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -52.6 | -45 | 174.8 | 177.8 | -163.1 | -171.4 | -74.3 | -17.2 | 111.2 | L560 L567 L568 D664 E666 L667 | L560-R564 WeakPolarHBondContact O-CB 3.27Å; L560-R564 PolarHBondContact O-N 2.85Å; R564-L567 PolarHBondContact O-N 2.77Å; R564-L568 HydrophobicContact CG-CD1 3.89Å; R564-L568 VanDerWaalsContact CZ-CD1 3.47Å; R564-L568 WeakPolarHBondContact O-CB 3.25Å; R564-L568 WeakPolarHBondContact O-CG 3.48Å; R564-L568 PolarHBondContact O-N 2.75Å; R564-D664 IonicContact CZ-OD2 3.97Å; R564-D664 IonicContact NE-OD2 2.74Å; R564-D664 PolarHBondContact NE-OD2 3.34Å; R564-D664 IonicContact NH2-OD1 4Å; R564-D664 IonicContact NH2-OD2 3.39Å; R564-D664 PolarHBondContact NH2-OD2 2.96Å; R564-D664 VanDerWaalsContact NH2-OD2 3.16Å; R564-E666 IonicContact NH2-OE2 2.62Å; R564-E666 PolarHBondContact NH2-OE2 3.42Å; R564-L667 HydrophobicContact CB-CD1 4.3Å; R564-L667 HydrophobicContact CB-CD2 4.29Å; R564-L667 HydrophobicContact CG-CD1 4.15Å; R564-L667 HydrophobicContact CG-CD2 4.26Å |
| 565 | R | 80.7 | Confident | 74.6 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 178.7 | -173.9 | -176.8 | 60.9 | 166.6 | -0.8 | 112.3 | Y520 K561 A562 C563 L567 G569 K570 D574 | Y520-R565 PolarHBondContact OH-NH2 3.09Å; K561-R565 WeakPolarHBondContact O-CB 3.46Å; K561-R565 PolarHBondContact O-N 3.02Å; K561-R565 VanDerWaalsContact O-N 3.07Å; A562-R565 WeakPolarHBondContact O-CB 3.42Å; A562-R565 PolarHBondContact O-N 3.15Å; C563-R565 PolarHBondContact O-N 3.21Å; R565-L567 VanDerWaalsContact C-N 3.34Å; R565-G569 PolarHBondContact O-N 3.04Å; R565-K570 WeakPolarHBondContact CG-O 3.28Å; R565-D574 IonicContact CZ-OD1 3.36Å; R565-D574 VanDerWaalsContact NH1-CA 3.34Å; R565-D574 IonicContact NH1-OD1 3.71Å; R565-D574 PolarHBondContact NH1-OD1 3.04Å; R565-D574 IonicContact NH1-OD2 2.79Å; R565-D574 IonicContact NH2-OD1 2.77Å; R565-D574 PolarHBondContact NH2-OD1 3.41Å |
| 566 | L | 78.5 | Confident | 73.5 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 177.2 | -72.4 | 175 | 0 | 0 | 0 | 112 | I529 L532 A562 C563 A644 | I529-L566 HydrophobicContact CD1-CD2 4.37Å; I529-L566 HydrophobicContact CG1-CD1 4.07Å; I529-L566 HydrophobicContact CG1-CD2 4.04Å; L532-L566 HydrophobicContact CD2-CD1 3.42Å; L532-L566 VanDerWaalsContact CD2-CD1 3.42Å; L532-L566 HydrophobicContact CD2-CG 4.47Å; A562-L566 PolarHBondContact O-N 3.43Å; C563-L566 PolarHBondContact O-N 3.4Å; C563-L566 VanDerWaalsContact O-N 3.14Å; L566-A644 HydrophobicContact CB-CB 3.81Å |
| 567 | L | 82 | Confident | 72.6 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.7 | -40.1 | -179.8 | -170.2 | 66.8 | 0 | 0 | 0 | 112.7 | C563 R564 R565 F635 A641 A644 V645 L667 A670 L671 | C563-L567 PolarHBondContact O-N 2.88Å; R564-L567 PolarHBondContact O-N 2.77Å; R565-L567 VanDerWaalsContact C-N 3.34Å; L567-F635 HydrophobicContact CD1-CE1 4.05Å; L567-F635 HydrophobicContact CG-CE1 4.32Å; L567-A641 HydrophobicContact CD1-CB 3.72Å; L567-A644 HydrophobicContact CB-CB 4.07Å; L567-V645 HydrophobicContact CD1-CG2 4.03Å; L567-L667 HydrophobicContact CD2-CD1 3.73Å; L567-A670 HydrophobicContact CD2-CB 3.95Å; L567-A670 HydrophobicContact CG-CB 4.27Å; L567-L671 HydrophobicContact CD2-CD2 3.76Å; L567-L671 HydrophobicContact CD2-CG 4.01Å |
| 568 | L | 81.8 | Confident | 71.6 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -89.6 | -10.2 | -177 | -66.2 | 177.3 | 0 | 0 | 0 | 114.3 | R564 K570 E666 A670 | R564-L568 HydrophobicContact CG-CD1 3.89Å; R564-L568 VanDerWaalsContact CZ-CD1 3.47Å; R564-L568 WeakPolarHBondContact O-CB 3.25Å; R564-L568 WeakPolarHBondContact O-CG 3.48Å; R564-L568 PolarHBondContact O-N 2.75Å; L568-K570 HydrophobicContact CB-CG 4.35Å; L568-K570 PolarHBondContact O-N 3.2Å; L568-K570 VanDerWaalsContact O-N 3.13Å; L568-E666 HydrophobicContact CD1-CG 4.13Å; L568-E666 HydrophobicContact CD2-CG 4.12Å; L568-A670 HydrophobicContact CD2-CB 3.53Å |
| 569 | G | 70.4 | Confident | 70.6 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | trans | 67.3 | 8.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R565 | R565-G569 PolarHBondContact O-N 3.04Š| ||
| 570 | K | 64.7 | Low | 69.5 | Low | 87 Ų | 87 | 59.9 Ų | 59.9 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | trans | -77.6 | 125.4 | -178.1 | -65.4 | -176.7 | -178.5 | 177.8 | 0 | 111 | R565 L568 Q572 E666 | R565-K570 WeakPolarHBondContact CG-O 3.28Å; L568-K570 HydrophobicContact CB-CG 4.35Å; L568-K570 PolarHBondContact O-N 3.2Å; L568-K570 VanDerWaalsContact O-N 3.13Å; K570-Q572 VanDerWaalsContact C-N 3.34Å; K570-Q572 PolarHBondContact O-N 3.2Å; K570-E666 WeakPolarHBondContact CE-OE1 3.31Å; K570-E666 IonicContact NZ-OE1 3.35Å; K570-E666 PolarHBondContact NZ-OE1 3.09Å; K570-E666 IonicContact NZ-OE2 2.66Å; K570-E666 PolarHBondContact NZ-OE2 3.16Å | ||
| 571 | R | 49.2 | Very low | 68.1 | Low | 257 Ų | 257 | 61.8 Ų | 61.8 | 97% | 0.97 | 32% | 0.319 | S | S | * | . | trans | -71.1 | 84.2 | 169.2 | -74.9 | -172.4 | -179 | -165.6 | 0.1 | 110.5 | ||||
| 572 | Q | 50.3 | Low | 66.7 | Low | 107 Ų | 107 | 58.1 Ų | 58.1 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -98 | 154.5 | 162.4 | -73.1 | -177.4 | -42 | 0 | 0 | 109.5 | K570 D574 | K570-Q572 VanDerWaalsContact C-N 3.34Å; K570-Q572 PolarHBondContact O-N 3.2Å; Q572-D574 PolarHBondContact O-N 2.9Å |
| 573 | P | 53.5 | Low | 65.4 | Low | 118 Ų | 118 | 60.6 Ų | 60.6 | 77% | 0.766 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 139.2 | 174.2 | -21.7 | 31.2 | 0 | 0 | 0 | 110.1 | ||
| 574 | D | 53.6 | Low | 63.8 | Low | 89 Ų | 89 | 69.8 Ų | 69.8 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 126.1 | 171 | -79.9 | -68.6 | 0 | 0 | 0 | 108.4 | R565 Q572 D576 | R565-D574 IonicContact CZ-OD1 3.36Å; R565-D574 VanDerWaalsContact NH1-CA 3.34Å; R565-D574 IonicContact NH1-OD1 3.71Å; R565-D574 PolarHBondContact NH1-OD1 3.04Å; R565-D574 IonicContact NH1-OD2 2.79Å; R565-D574 IonicContact NH2-OD1 2.77Å; R565-D574 PolarHBondContact NH2-OD1 3.41Å; Q572-D574 PolarHBondContact O-N 2.9Å; D574-D576 PolarHBondContact O-N 3.05Å |
| 575 | P | 56.1 | Low | 61.9 | Low | 27 Ų | 27 | 72.3 Ų | 72.3 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 141.7 | 164.5 | 23.7 | -29.7 | 0 | 0 | 0 | 107.1 | L558 A562 V577 | L558-P575 HydrophobicContact CD2-CB 4.45Å; A562-P575 HydrophobicContact CB-CG 4.15Å; P575-V577 HydrophobicContact CG-CG2 4.42Å; P575-V577 VanDerWaalsContact O-CG2 3.31Å; P575-V577 WeakPolarHBondContact O-CG2 3.12Å; P575-V577 PolarHBondContact O-N 2.98Å |
| 576 | D | 59.9 | Low | 59.9 | Low | 102 Ų | 102 | 72.2 Ų | 72.2 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | trans | -67.9 | 87.5 | 178.6 | -125.3 | -22 | 0 | 0 | 0 | 107.9 | D574 D578 D579 | D574-D576 PolarHBondContact O-N 3.05Å; D576-D578 PolarHBondContact O-N 3.39Å; D576-D579 PolarHBondContact O-N 3.5Å; D576-D579 VanDerWaalsContact O-N 3.08Å | ||
| 577 | V | 62.9 | Low | 57.7 | Low | 7 Ų | 7 | 77.1 Ų | 77.1 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -63 | -13.4 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | Q517 Y520 L535 P575 D579 I580 | Q517-V577 HydrophobicContact CG-CG1 4.18Å; Q517-V577 PolarHBondContact NE2-O 3.44Å; Y520-V577 HydrophobicContact CD1-CB 3.92Å; Y520-V577 HydrophobicContact CD1-CG1 4Å; Y520-V577 HydrophobicContact CD1-CG2 3.52Å; Y520-V577 HydrophobicContact CE1-CB 4.12Å; Y520-V577 HydrophobicContact CE1-CG1 4.49Å; Y520-V577 HydrophobicContact CE1-CG2 3.21Å; Y520-V577 HydrophobicContact CG-CG1 4.39Å; Y520-V577 HydrophobicContact CG-CG2 4.45Å; L535-V577 HydrophobicContact CD1-CG1 3.91Å; P575-V577 HydrophobicContact CG-CG2 4.42Å; P575-V577 VanDerWaalsContact O-CG2 3.31Å; P575-V577 WeakPolarHBondContact O-CG2 3.12Å; P575-V577 PolarHBondContact O-N 2.98Å; V577-D579 PolarHBondContact O-N 3.45Å; V577-I580 HydrophobicContact CB-CD1 4.23Å; V577-I580 HydrophobicContact CG1-CD1 3.63Å; V577-I580 WeakPolarHBondContact O-CB 3.41Å; V577-I580 PolarHBondContact O-N 3.14Å; V577-I580 VanDerWaalsContact O-N 3.09Å |
| 578 | D | 63.5 | Low | 55.6 | Low | 78 Ų | 78 | 79.6 Ų | 79.6 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -58.6 | -25.7 | 171.4 | -70 | -9.8 | 0 | 0 | 0 | 113.1 | Q517 K521 D576 I580 | Q517-D578 PolarHBondContact NE2-O 3.11Å; K521-D578 WeakPolarHBondContact CE-OD1 3.32Å; K521-D578 IonicContact NZ-OD1 3.44Å; K521-D578 PolarHBondContact NZ-OD1 3.34Å; K521-D578 IonicContact NZ-OD2 3.83Å; K521-D578 PolarHBondContact NZ-OD2 3.43Å; D576-D578 PolarHBondContact O-N 3.39Å; D578-I580 VanDerWaalsContact C-N 3.25Å; D578-I580 PolarHBondContact O-N 2.79Å |
| 579 | D | 63.1 | Low | 53.1 | Low | 108 Ų | 108 | 85 Ų | 85 | 58% | 0.578 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -75.3 | -12.5 | 176.8 | -67.4 | -26.4 | 0 | 0 | 0 | 113.4 | L558 D576 V577 A581 | L558-D579 HydrophobicContact CD1-CB 4.07Å; D576-D579 PolarHBondContact O-N 3.5Å; D576-D579 VanDerWaalsContact O-N 3.08Å; V577-D579 PolarHBondContact O-N 3.45Å; D579-A581 PolarHBondContact O-N 3.02Å |
| 580 | I | 61 | Low | 51.2 | Low | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.005 | 46% | 0.456 | C | S | . | . | trans | -78.1 | 104.4 | 179.3 | -66 | 159.6 | 0 | 0 | 0 | 109.2 | Q517 L551 L558 L559 V577 D578 | Q517-I580 PolarHBondContact NE2-O 2.88Å; L551-I580 HydrophobicContact CD1-CG2 3.92Å; L551-I580 HydrophobicContact CD2-CG2 4.06Å; L551-I580 HydrophobicContact CG-CG2 4.48Å; L558-I580 HydrophobicContact CB-CD1 4.43Å; L558-I580 HydrophobicContact CD1-CG1 4.35Å; L559-I580 HydrophobicContact CD2-CD1 3.62Å; L559-I580 HydrophobicContact CG-CD1 3.87Å; V577-I580 HydrophobicContact CB-CD1 4.23Å; V577-I580 HydrophobicContact CG1-CD1 3.63Å; V577-I580 WeakPolarHBondContact O-CB 3.41Å; V577-I580 PolarHBondContact O-N 3.14Å; V577-I580 VanDerWaalsContact O-N 3.09Å; D578-I580 VanDerWaalsContact C-N 3.25Å; D578-I580 PolarHBondContact O-N 2.79Å | ||
| 581 | A | 58.5 | Low | 49.7 | Very low | 44 Ų | 44 | 87 Ų | 87 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | trans | -113.6 | 147.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L551 T552 D579 | L551-A581 CarbonylContact C-O 3.27Å; L551-A581 WeakPolarHBondContact CA-O 3.22Å; T552-A581 HydrophobicContact CG2-CB 3.72Å; T552-A581 PolarHBondContact N-O 3.15Å; T552-A581 PolarHBondContact OG1-N 2.94Å; T552-A581 PolarHBondContact OG1-O 3.06Å; D579-A581 PolarHBondContact O-N 3.02Å | ||
| 582 | A | 55.7 | Low | 49.1 | Very low | 26 Ų | 26 | 81 Ų | 81 | 22% | 0.215 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 138.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I509 K584 | I509-A582 HydrophobicContact CG2-CB 3.56Å; A582-K584 PolarHBondContact O-N 3.29Å |
| 583 | N | 57.7 | Low | 48.3 | Very low | 53 Ų | 53 | 83.9 Ų | 83.9 | 28% | 0.283 | 47% | 0.465 | S | S | . | . | trans | -70.8 | 120.1 | 175.1 | -161.9 | 1.2 | 0 | 0 | 0 | 109.4 | K549 S550 S585 A586 | K549-N583 WeakPolarHBondContact O-CB 3.46Å; K549-N583 PolarHBondContact O-ND2 3.16Å; S550-N583 PolarHBondContact O-N 2.88Å; S550-N583 VanDerWaalsContact O-N 3.1Å; N583-S585 VanDerWaalsContact CG-OG 3.31Å; N583-S585 PolarHBondContact ND2-OG 3.38Å; N583-S585 PolarHBondContact O-N 2.79Å; N583-S585 PolarHBondContact OD1-OG 2.89Å; N583-A586 WeakPolarHBondContact O-CB 3.13Å; N583-A586 PolarHBondContact O-N 2.78Å | ||
| 584 | K | 51.3 | Low | 47.2 | Very low | 193 Ų | 193 | 80.6 Ų | 80.6 | 84% | 0.839 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -67.1 | -20 | -176 | -72.1 | -174.1 | 179.4 | -179.9 | 0 | 113.3 | A582 A586 | A582-K584 PolarHBondContact O-N 3.29Å; K584-A586 PolarHBondContact O-N 2.98Å |
| 585 | S | 45.5 | Very low | 45.9 | Very low | 92 Ų | 92 | 82.6 Ų | 82.6 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -70.7 | -2.4 | 175.3 | 58 | 0 | 0 | 0 | 0 | 114 | N583 D587 | N583-S585 VanDerWaalsContact CG-OG 3.31Å; N583-S585 PolarHBondContact ND2-OG 3.38Å; N583-S585 PolarHBondContact O-N 2.79Å; N583-S585 PolarHBondContact OD1-OG 2.89Å; S585-D587 VanDerWaalsContact C-N 3.25Å; S585-D587 PolarHBondContact O-N 2.97Å |
| 586 | A | 38.6 | Very low | 44.7 | Very low | 26 Ų | 26 | 85.3 Ų | 85.3 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -77.8 | -2.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L506 N583 K584 V588 | L506-A586 HydrophobicContact CD2-CB 4.26Å; N583-A586 WeakPolarHBondContact O-CB 3.13Å; N583-A586 PolarHBondContact O-N 2.78Å; K584-A586 PolarHBondContact O-N 2.98Å; A586-V588 PolarHBondContact O-N 2.93Å |
| 587 | D | 33.1 | Very low | 43.2 | Very low | 125 Ų | 125 | 84.3 Ų | 84.3 | 67% | 0.668 | 47% | 0.472 | S | S | * | . | trans | -73.7 | 70 | 167.7 | -79.7 | -22.9 | 0 | 0 | 0 | 109.7 | S585 H589 | S585-D587 VanDerWaalsContact C-N 3.25Å; S585-D587 PolarHBondContact O-N 2.97Å; D587-H589 PolarHBondContact O-N 3.49Å; D587-H589 VanDerWaalsContact O-N 3.12Å | ||
| 588 | V | 37.2 | Very low | 41.8 | Very low | 57 Ų | 57 | 89.4 Ų | 89.4 | 35% | 0.345 | 50% | 0.503 | S | S | . | . | trans | -69.8 | 104.5 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | A586 F590 V596 | A586-V588 PolarHBondContact O-N 2.93Å; V588-F590 HydrophobicContact CB-CE2 4.44Å; V588-F590 HydrophobicContact CG1-CE1 4.44Å; V588-F590 HydrophobicContact CG1-CE2 4.44Å; V588-F590 HydrophobicContact CG1-CZ 4.2Å; V588-F590 VanDerWaalsContact O-CD2 3.28Å; V588-F590 WeakPolarHBondContact O-CD2 3.44Å; V588-F590 WeakPolarHBondContact O-CE2 3.23Å; V588-F590 PolarHBondContact O-N 3.48Å; V588-V596 HydrophobicContact CG1-CB 3.99Å; V588-V596 HydrophobicContact CG1-CG1 3.44Å; V588-V596 VanDerWaalsContact CG1-CG1 3.44Å; V588-V596 HydrophobicContact CG1-CG2 3.63Å | ||
| 589 | H | 29.4 | Very low | 40.2 | Very low | 141 Ų | 141 | 92 Ų | 92 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | trans | -70.2 | 112.6 | 175.3 | -83.7 | -67.4 | 0 | 0 | 0 | 109.9 | D587 V597 | D587-H589 PolarHBondContact O-N 3.49Å; D587-H589 VanDerWaalsContact O-N 3.12Å; H589-V597 PolarHBondContact O-N 3.5Å | ||
| 590 | F | 31.7 | Very low | 38.7 | Very low | 112 Ų | 112 | 95.1 Ų | 95.1 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | B | Isolated β-bridge | trans | -82.4 | 129 | 168.2 | -61.5 | -81.7 | 0 | 0 | 0 | 108.8 | V588 G594 E595 V596 | V588-F590 HydrophobicContact CB-CE2 4.44Å; V588-F590 HydrophobicContact CG1-CE1 4.44Å; V588-F590 HydrophobicContact CG1-CE2 4.44Å; V588-F590 HydrophobicContact CG1-CZ 4.2Å; V588-F590 VanDerWaalsContact O-CD2 3.28Å; V588-F590 WeakPolarHBondContact O-CD2 3.44Å; V588-F590 WeakPolarHBondContact O-CE2 3.23Å; V588-F590 PolarHBondContact O-N 3.48Å; F590-G594 WeakPolarHBondContact CD1-O 3.37Å; F590-E595 WeakPolarHBondContact CA-O 3.32Å; F590-V596 HydrophobicContact CD1-CG2 4.24Å; F590-V596 HydrophobicContact CE1-CG2 3.77Å |
| 591 | N | 32.5 | Very low | 37.2 | Very low | 63 Ų | 63 | 101.4 Ų | 101.4 | 34% | 0.337 | 56% | 0.562 | S | S | . | * | trans | -68.9 | 172.7 | 166.1 | 68 | 16.6 | 0 | 0 | 0 | 110 | E593 G594 E595 V597 | N591-E593 PolarHBondContact O-N 2.79Å; N591-E593 PolarHBondContact OD1-N 2.94Å; N591-G594 PolarHBondContact O-N 3.48Å; N591-G594 PolarHBondContact OD1-N 3.08Å; N591-E595 PolarHBondContact N-O 3.44Å; N591-E595 VanDerWaalsContact N-O 3.12Å; N591-E595 PolarHBondContact OD1-N 3.45Å; N591-V597 HydrophobicContact CB-CG2 4.23Å | ||
| 592 | S | 36.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 107 Ų | 107 | 93% | 0.93 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -9.3 | -176.5 | 49.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 593 | E | 34.5 | Very low | 34.6 | Very low | 167 Ų | 167 | 112.4 Ų | 112.4 | 78% | 0.78 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 2.6 | 175.6 | -62.8 | -171.5 | 166.9 | 0 | 0 | 113.1 | N591 | N591-E593 PolarHBondContact O-N 2.79Å; N591-E593 PolarHBondContact OD1-N 2.94Å |
| 594 | G | 29.4 | Very low | 33.1 | Very low | 48 Ų | 48 | 118.2 Ų | 118.2 | 50% | 0.495 | 64% | 0.636 | S | S | . | * | S | Bend | trans | 84.7 | 14.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F590 N591 | F590-G594 WeakPolarHBondContact CD1-O 3.37Å; N591-G594 PolarHBondContact O-N 3.48Å; N591-G594 PolarHBondContact OD1-N 3.08Å |
| 595 | E | 27 | Very low | 32 | Very low | 131 Ų | 131 | 116.4 Ų | 116.4 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | trans | -89.8 | 143.2 | 174.5 | -64 | -172.7 | 157.6 | 0 | 0 | 111.7 | F590 N591 V597 | F590-E595 WeakPolarHBondContact CA-O 3.32Å; N591-E595 PolarHBondContact N-O 3.44Å; N591-E595 VanDerWaalsContact N-O 3.12Å; N591-E595 PolarHBondContact OD1-N 3.45Å; E595-V597 PolarHBondContact O-N 2.87Å | ||
| 596 | V | 30.3 | Very low | 30.9 | Very low | 84 Ų | 84 | 120 Ų | 120 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | B | Isolated β-bridge | trans | -77 | 115.1 | -179.6 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | V588 F590 V598 | V588-V596 HydrophobicContact CG1-CB 3.99Å; V588-V596 HydrophobicContact CG1-CG1 3.44Å; V588-V596 VanDerWaalsContact CG1-CG1 3.44Å; V588-V596 HydrophobicContact CG1-CG2 3.63Å; F590-V596 HydrophobicContact CD1-CG2 4.24Å; F590-V596 HydrophobicContact CE1-CG2 3.77Å; V596-V598 HydrophobicContact CG1-CG2 4.38Å |
| 597 | V | 28.8 | Very low | 30.3 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | trans | -89.8 | 114.3 | 172.5 | -176 | 0 | 0 | 0 | 0 | 108.4 | H589 N591 E595 | H589-V597 PolarHBondContact O-N 3.5Å; N591-V597 HydrophobicContact CB-CG2 4.23Å; E595-V597 PolarHBondContact O-N 2.87Å | ||
| 598 | V | 33.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | trans | -84.6 | 118.2 | 170.5 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | V596 E600 | V596-V598 HydrophobicContact CG1-CG2 4.38Å; V598-E600 PolarHBondContact O-N 3.36Å | ||
| 599 | D | 30.6 | Very low | 29.1 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | trans | -60.9 | 127 | 177.2 | -95.2 | -31.5 | 0 | 0 | 0 | 110.4 | N601 | D599-N601 PolarHBondContact O-N 3Š| ||
| 600 | E | 31.5 | Very low | 28.9 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -74.9 | 17.7 | -173.3 | -67.7 | -164.1 | 144.2 | 0 | 0 | 115.1 | V598 | V598-E600 PolarHBondContact O-N 3.36Š|
| 601 | N | 28.6 | Very low | 28.5 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -114.8 | 29.7 | -168.6 | -70.4 | -26.6 | 0 | 0 | 0 | 116 | D599 D603 | D599-N601 PolarHBondContact O-N 3Å; N601-D603 PolarHBondContact O-N 2.73Å | ||
| 602 | D | 30.2 | Very low | 28.2 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | -97.7 | 80.8 | 164.3 | -76.4 | -25.9 | 0 | 0 | 0 | 109.7 | ||||
| 603 | D | 29 | Very low | 27.7 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -60.9 | 128.9 | 172 | -76.8 | -44.9 | 0 | 0 | 0 | 111.5 | N601 I605 | N601-D603 PolarHBondContact O-N 2.73Å; D603-I605 PolarHBondContact O-N 2.97Å | ||
| 604 | E | 26.2 | Very low | 27 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 32.5 | 75.8 | 153.4 | -66.6 | -174.9 | 160.7 | 0 | 0 | 117.5 | Q606 | E604-Q606 PolarHBondContact O-N 3.18Å; E604-Q606 VanDerWaalsContact O-N 3.09Å | ||
| 605 | I | 28.1 | Very low | 26.9 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | trans | -72.2 | 102.7 | 158.4 | -60.2 | 175.5 | 0 | 0 | 0 | 107.8 | D603 I607 | D603-I605 PolarHBondContact O-N 2.97Å; I605-I607 PolarHBondContact O-N 3.06Å; I605-I607 VanDerWaalsContact O-N 3.12Å | ||
| 606 | Q | 22.6 | Very low | 26.8 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -57.9 | 113.4 | 170.7 | -74.3 | -179.6 | -2.8 | 0 | 0 | 109.8 | E604 E608 | E604-Q606 PolarHBondContact O-N 3.18Å; E604-Q606 VanDerWaalsContact O-N 3.09Å; Q606-E608 PolarHBondContact O-N 3.2Å | ||
| 607 | I | 26.5 | Very low | 26.3 | Very low | 158 Ų | 158 | 143 Ų | 143 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -72.2 | 91.3 | 173.5 | -57.1 | 167.5 | 0 | 0 | 0 | 107.2 | I605 E609 | I605-I607 PolarHBondContact O-N 3.06Å; I605-I607 VanDerWaalsContact O-N 3.12Å; I607-E609 PolarHBondContact O-N 3.45Å | ||
| 608 | E | 22.8 | Very low | 26.3 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 113.8 | 161 | -84.1 | -168.2 | 155.9 | 0 | 0 | 108.5 | Q606 V610 | Q606-E608 PolarHBondContact O-N 3.2Å; E608-V610 PolarHBondContact O-N 2.74Å | ||
| 609 | E | 22.7 | Very low | 25.8 | Very low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -56.9 | 99.3 | 172.2 | -73.6 | -178 | 150.5 | 0 | 0 | 110.2 | I607 S611 | I607-E609 PolarHBondContact O-N 3.45Å; E609-S611 VanDerWaalsContact C-N 3.31Å; E609-S611 PolarHBondContact O-N 2.87Å | ||
| 610 | V | 25.5 | Very low | 25.5 | Very low | 138 Ų | 138 | 153 Ų | 153 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -70.5 | 92.6 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | E608 A612 | E608-V610 PolarHBondContact O-N 2.74Å; V610-A612 PolarHBondContact O-N 3.45Å | ||
| 611 | S | 23.3 | Very low | 25.1 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -51.3 | 128.3 | 170.6 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | E609 S613 | E609-S611 VanDerWaalsContact C-N 3.31Å; E609-S611 PolarHBondContact O-N 2.87Å; S611-S613 PolarHBondContact O-N 3.07Å | ||
| 612 | A | 25.8 | Very low | 24.9 | Very low | 99 Ų | 99 | 153.4 Ų | 153.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -51.9 | 103.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V610 Q614 | V610-A612 PolarHBondContact O-N 3.45Å; A612-Q614 PolarHBondContact O-N 3.22Å | ||
| 613 | S | 24.4 | Very low | 24.5 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 121.5 | 170.5 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | S611 | S611-S613 PolarHBondContact O-N 3.07Š|
| 614 | Q | 21.6 | Very low | 24.2 | Very low | 176 Ų | 176 | 153.3 Ų | 153.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 151 | -179.7 | -71.5 | -169.2 | -24.2 | 0 | 0 | 113 | A612 V616 | A612-Q614 PolarHBondContact O-N 3.22Å; Q614-V616 PolarHBondContact O-N 3.39Å |
| 615 | P | 25.5 | Very low | 24.2 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 125.5 | -171.7 | 0.6 | 14.6 | 0 | 0 | 0 | 110.5 | E617 | P615-E617 PolarHBondContact O-N 3.09Å; P615-E617 VanDerWaalsContact O-N 3.13Å |
| 616 | V | 24.9 | Very low | 23.9 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -58.2 | 114.5 | 174 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | Q614 N618 | Q614-V616 PolarHBondContact O-N 3.39Å; V616-N618 VanDerWaalsContact C-N 3.33Å; V616-N618 PolarHBondContact O-N 3.02Å | ||
| 617 | E | 21 | Very low | 24 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -62.9 | 89.6 | 170.9 | -74.4 | -172.6 | 148.7 | 0 | 0 | 110.1 | P615 K619 | P615-E617 PolarHBondContact O-N 3.09Å; P615-E617 VanDerWaalsContact O-N 3.13Å; E617-K619 PolarHBondContact O-N 3.04Å | ||
| 618 | N | 27.6 | Very low | 23.9 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -70.6 | 113.8 | 169.6 | -83.4 | -25.6 | 0 | 0 | 0 | 109.7 | V616 K620 | V616-N618 VanDerWaalsContact C-N 3.33Å; V616-N618 PolarHBondContact O-N 3.02Å; N618-K620 PolarHBondContact O-N 3.48Å | ||
| 619 | K | 24.2 | Very low | 24 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -49.5 | 124.4 | 177.1 | -74.4 | 177.5 | 176 | 175.6 | 0 | 111.4 | E617 D621 | E617-K619 PolarHBondContact O-N 3.04Å; K619-D621 PolarHBondContact O-N 3.2Å; K619-D621 VanDerWaalsContact O-N 3.15Å | ||
| 620 | K | 22.6 | Very low | 24.4 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 100.4 | 172.3 | -71.1 | 175 | 176.8 | 173.3 | 0 | 110.3 | N618 | N618-K620 PolarHBondContact O-N 3.48Š| ||
| 621 | D | 23.7 | Very low | 24.9 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -117.8 | 63.7 | 155.9 | -86.2 | -37.8 | 0 | 0 | 0 | 109.4 | K619 K623 | K619-D621 PolarHBondContact O-N 3.2Å; K619-D621 VanDerWaalsContact O-N 3.15Å; D621-K623 PolarHBondContact O-N 3.48Å | ||
| 622 | N | 24.4 | Very low | 26.1 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 88.2 | 167.2 | -86.5 | -12.6 | 0 | 0 | 0 | 109 | ||||
| 623 | K | 21.8 | Very low | 27.6 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -86.2 | 128.5 | 152.8 | -80.8 | -173.7 | 179.5 | 176.8 | 0 | 108.5 | D621 V625 | D621-K623 PolarHBondContact O-N 3.48Å; K623-V625 PolarHBondContact O-N 3.16Å | ||
| 624 | P | 23.5 | Very low | 29.3 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -70.2 | 123.5 | -174.3 | 28.6 | -32.1 | 0 | 0 | 0 | 109.7 | N626 | P624-N626 VanDerWaalsContact C-N 3.31Å; P624-N626 PolarHBondContact O-N 2.57Å | ||
| 625 | V | 26.6 | Very low | 31.4 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 89% | 0.885 | 72% | 0.718 | S | S | * | * | trans | -70.3 | 92.8 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | K623 | K623-V625 PolarHBondContact O-N 3.16Š| ||
| 626 | N | 21.4 | Very low | 33 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -74.4 | 129.4 | 166.1 | -81.5 | -20.7 | 0 | 0 | 0 | 109.1 | P624 | P624-N626 VanDerWaalsContact C-N 3.31Å; P624-N626 PolarHBondContact O-N 2.57Å | ||
| 627 | G | 23.6 | Very low | 35 | Very low | 58 Ų | 58 | 127.2 Ų | 127.2 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | trans | 126.3 | 92.8 | 162 | 0 | 0 | 0 | 0 | 0 | 113.9 | T629 | G627-T629 VanDerWaalsContact C-N 3.28Å; G627-T629 PolarHBondContact O-N 3.4Å | ||
| 628 | S | 25.4 | Very low | 37.3 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 87% | 0.874 | 66% | 0.662 | S | S | * | * | trans | -64.1 | 86.1 | 159.7 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 629 | T | 25.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 116 Ų | 116 | 77% | 0.767 | 64% | 0.642 | S | S | * | * | trans | -110.8 | 92.7 | 159.4 | 37 | 0 | 0 | 0 | 0 | 106.9 | G627 S631 | G627-T629 VanDerWaalsContact C-N 3.28Å; G627-T629 PolarHBondContact O-N 3.4Å; T629-S631 PolarHBondContact O-N 2.98Å | ||
| 630 | T | 30.8 | Very low | 41.2 | Very low | 137 Ų | 137 | 107.1 Ų | 107.1 | 84% | 0.84 | 61% | 0.605 | S | S | * | * | trans | -58.8 | 88.7 | 164.5 | 38.1 | 0 | 0 | 0 | 0 | 108 | T632 | T630-T632 PolarHBondContact O-N 3.47Å; T630-T632 VanDerWaalsContact O-N 3.08Å | ||
| 631 | S | 34.8 | Very low | 43.8 | Very low | 98 Ų | 98 | 97.8 Ų | 97.8 | 69% | 0.685 | 56% | 0.564 | S | S | * | * | trans | -64.1 | 104.5 | 161.8 | 42.9 | 0 | 0 | 0 | 0 | 106.4 | T629 I633 | T629-S631 PolarHBondContact O-N 2.98Å; S631-I633 PolarHBondContact O-N 3.28Å | ||
| 632 | T | 48.2 | Very low | 46.2 | Very low | 97 Ų | 97 | 91.3 Ų | 91.3 | 60% | 0.595 | 53% | 0.529 | S | S | * | . | trans | -59 | 105.2 | 171 | 25.7 | 0 | 0 | 0 | 0 | 108.2 | T630 H634 | T630-T632 PolarHBondContact O-N 3.47Å; T630-T632 VanDerWaalsContact O-N 3.08Å; T632-H634 PolarHBondContact O-N 2.99Å | ||
| 633 | I | 58.3 | Low | 48.6 | Very low | 39 Ų | 39 | 84.8 Ų | 84.8 | 20% | 0.2 | 49% | 0.492 | C | S | . | . | trans | -63.4 | 117.6 | 174.3 | -62.8 | 171.9 | 0 | 0 | 0 | 107 | S631 F635 A670 F677 | S631-I633 PolarHBondContact O-N 3.28Å; I633-F635 HydrophobicContact CG2-CE1 4.37Å; I633-F635 HydrophobicContact CG2-CZ 4.35Å; I633-A670 HydrophobicContact CD1-CB 4.18Å; I633-F677 WeakPolarHBondContact O-CE2 3.36Å; I633-F677 WeakPolarHBondContact O-CZ 3.47Å | ||
| 634 | H | 60.2 | Low | 51.5 | Low | 138 Ų | 138 | 75.7 Ų | 75.7 | 64% | 0.639 | 45% | 0.453 | S | S | * | . | trans | -90.5 | 121.3 | 177.2 | -172.2 | -84.3 | 0 | 0 | 0 | 108.9 | T632 D636 | T632-H634 PolarHBondContact O-N 2.99Å; H634-D636 IonicContact ND1-OD1 2.66Å; H634-D636 PolarHBondContact ND1-OD1 3.25Å | ||
| 635 | F | 65.3 | Low | 54.5 | Low | 22 Ų | 22 | 70.6 Ų | 70.6 | 10% | 0.096 | 42% | 0.419 | C | S | . | . | trans | -84.5 | 112.9 | 175.2 | -62.3 | -77.6 | 0 | 0 | 0 | 109.5 | L567 I633 D637 A641 A670 F674 F677 | L567-F635 HydrophobicContact CD1-CE1 4.05Å; L567-F635 HydrophobicContact CG-CE1 4.32Å; I633-F635 HydrophobicContact CG2-CE1 4.37Å; I633-F635 HydrophobicContact CG2-CZ 4.35Å; F635-D637 VanDerWaalsContact C-N 3.34Å; F635-A641 HydrophobicContact CD1-CB 4.19Å; F635-A670 WeakPolarHBondContact CZ-O 3.49Å; F635-F674 HydrophobicContact CE1-CD2 4.38Å; F635-F674 HydrophobicContact CE2-CB 4.13Å; F635-F674 HydrophobicContact CE2-CD2 4.17Å; F635-F674 HydrophobicContact CZ-CB 3.75Å; F635-F674 HydrophobicContact CZ-CD2 4.11Å; F635-F674 HydrophobicContact CZ-CG 4.44Å; F635-F677 HydrophobicContact CD2-CB 4.11Å; F635-F677 AromaticContact CD2-CD2 4Å; F635-F677 HydrophobicContact CD2-CD2 4Å; F635-F677 AromaticContact CD2-CG 3.99Å; F635-F677 HydrophobicContact CD2-CG 3.99Å; F635-F677 HydrophobicContact CE2-CB 4.17Å; F635-F677 AromaticContact CE2-CD2 3.84Å; F635-F677 HydrophobicContact CE2-CD2 3.84Å; F635-F677 HydrophobicContact CE2-CG 4.16Å | ||
| 636 | D | 59.3 | Low | 57 | Low | 137 Ų | 137 | 66.1 Ų | 66.1 | 73% | 0.733 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -68.2 | -33.4 | 180 | -67.8 | -24.6 | 0 | 0 | 0 | 112.6 | H634 | H634-D636 IonicContact ND1-OD1 2.66Å; H634-D636 PolarHBondContact ND1-OD1 3.25Å |
| 637 | D | 66.6 | Low | 59.9 | Low | 57 Ų | 57 | 58.9 Ų | 58.9 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | trans | -135.3 | 101.7 | 174.8 | -176.5 | 13.1 | 0 | 0 | 0 | 111.5 | R368 F635 D639 S640 A641 | R368-D637 IonicContact NH2-OD2 2.97Å; R368-D637 PolarHBondContact NH2-OD2 3.46Å; F635-D637 VanDerWaalsContact C-N 3.34Å; D637-D639 VanDerWaalsContact C-N 3.29Å; D637-D639 PolarHBondContact O-N 2.98Å; D637-D639 PolarHBondContact OD1-N 3.49Å; D637-D639 VanDerWaalsContact OD1-N 3.15Å; D637-S640 PolarHBondContact O-N 3.15Å; D637-S640 VanDerWaalsContact OD2-CB 3.31Å; D637-S640 WeakPolarHBondContact OD2-CB 3.19Å; D637-S640 PolarHBondContact OD2-OG 3.47Å; D637-A641 PolarHBondContact O-N 3.38Å | ||
| 638 | L | 68.7 | Low | 63.1 | Low | 32 Ų | 32 | 56.1 Ų | 56.1 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -33.5 | -179.8 | -166.8 | 71.4 | 0 | 0 | 0 | 112.1 | A641 H642 F674 | L638-A641 WeakPolarHBondContact O-CB 3.48Å; L638-A641 PolarHBondContact O-N 2.96Å; L638-H642 PolarHBondContact O-CD2 3.39Å; L638-H642 PolarHBondContact O-N 2.99Å; L638-F674 HydrophobicContact CD1-CD2 4.36Å; L638-F674 HydrophobicContact CD1-CE2 3.82Å |
| 639 | D | 65.5 | Low | 66 | Low | 64 Ų | 64 | 50.7 Ų | 50.7 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 179.5 | -71.5 | -25.4 | 0 | 0 | 0 | 110.4 | D637 A641 H642 W643 | D637-D639 VanDerWaalsContact C-N 3.29Å; D637-D639 PolarHBondContact O-N 2.98Å; D637-D639 PolarHBondContact OD1-N 3.49Å; D637-D639 VanDerWaalsContact OD1-N 3.15Å; D639-A641 VanDerWaalsContact C-N 3.3Å; D639-A641 PolarHBondContact O-N 3.46Å; D639-H642 WeakPolarHBondContact O-CB 3.15Å; D639-H642 PolarHBondContact O-N 2.92Å; D639-W643 PolarHBondContact O-N 2.96Å |
| 640 | S | 69 | Low | 68.8 | Low | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.8 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | I529 D637 W643 A644 | I529-S640 WeakPolarHBondContact CD1-OG 3.35Å; D637-S640 PolarHBondContact O-N 3.15Å; D637-S640 VanDerWaalsContact OD2-CB 3.31Å; D637-S640 WeakPolarHBondContact OD2-CB 3.19Å; D637-S640 PolarHBondContact OD2-OG 3.47Å; S640-W643 PolarHBondContact O-N 3.4Å; S640-A644 WeakPolarHBondContact O-CB 3.4Å; S640-A644 PolarHBondContact O-N 3.36Å |
| 641 | A | 76.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L567 F635 D637 L638 D639 W643 A644 V645 F674 | L567-A641 HydrophobicContact CD1-CB 3.72Å; F635-A641 HydrophobicContact CD1-CB 4.19Å; D637-A641 PolarHBondContact O-N 3.38Å; L638-A641 WeakPolarHBondContact O-CB 3.48Å; L638-A641 PolarHBondContact O-N 2.96Å; D639-A641 VanDerWaalsContact C-N 3.3Å; D639-A641 PolarHBondContact O-N 3.46Å; A641-W643 VanDerWaalsContact C-N 3.35Å; A641-W643 PolarHBondContact O-N 3.16Å; A641-A644 PolarHBondContact O-N 3.09Å; A641-V645 WeakPolarHBondContact O-CG2 3.44Å; A641-V645 PolarHBondContact O-N 2.73Å; A641-F674 HydrophobicContact CB-CD2 4.1Å; A641-F674 HydrophobicContact CB-CE2 3.64Å; A641-F674 HydrophobicContact CB-CZ 4.42Å |
| 642 | H | 74.3 | Confident | 74.1 | Confident | 18 Ų | 18 | 36.5 Ų | 36.5 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.8 | -47.5 | 176.7 | -75.2 | -64.9 | 0 | 0 | 0 | 112.1 | L638 D639 V645 E646 F674 S739 | L638-H642 PolarHBondContact O-CD2 3.39Å; L638-H642 PolarHBondContact O-N 2.99Å; D639-H642 WeakPolarHBondContact O-CB 3.15Å; D639-H642 PolarHBondContact O-N 2.92Å; H642-V645 PolarHBondContact O-N 2.93Å; H642-E646 PolarHBondContact O-N 2.9Å; H642-F674 AromaticContact CE1-CZ 3.75Å; H642-F674 AromaticContact CG-CZ 3.95Å; H642-F674 AromaticContact ND1-CZ 3.38Å; H642-F674 WeakPolarHBondContact ND1-CZ 3.31Å; H642-S739 PolarHBondContact CE1-OG 3.19Å; H642-S739 WeakPolarHBondContact ND1-CB 3.31Å; H642-S739 PolarHBondContact ND1-OG 3.48Å |
| 643 | W | 76.3 | Confident | 75.7 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72 | -33.3 | -179.4 | -69 | 110.5 | 0 | 0 | 0 | 113.5 | I529 R530 V533 D639 S640 A641 V645 E646 G647 K737 | I529-W643 HydrophobicContact CG2-CB 3.12Å; I529-W643 HydrophobicContact CG2-CD2 4.07Å; I529-W643 HydrophobicContact CG2-CG 3.35Å; R530-W643 HydrophobicContact CG-CH2 3.99Å; R530-W643 HydrophobicContact CG-CZ2 4.33Å; R530-W643 HydrophobicContact CG-CZ3 4.38Å; V533-W643 HydrophobicContact CG2-CB 4.23Å; V533-W643 HydrophobicContact CG2-CE3 4.06Å; V533-W643 WeakPolarHBondContact CG2-O 3.45Å; D639-W643 PolarHBondContact O-N 2.96Å; S640-W643 PolarHBondContact O-N 3.4Å; A641-W643 VanDerWaalsContact C-N 3.35Å; A641-W643 PolarHBondContact O-N 3.16Å; W643-V645 VanDerWaalsContact C-N 3.3Å; W643-V645 PolarHBondContact O-N 3.3Å; W643-E646 WeakPolarHBondContact CZ3-OE2 3.34Å; W643-E646 PolarHBondContact O-N 3.28Å; W643-G647 PolarHBondContact O-N 2.92Å; W643-K737 HydrophobicContact CZ2-CD 4.38Å; W643-K737 VanDerWaalsContact CZ2-NZ 3.25Å |
| 644 | A | 82.2 | Confident | 77 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C563 L566 L567 S640 A641 E646 G647 M648 | C563-A644 WeakPolarHBondContact O-CB 3.32Å; L566-A644 HydrophobicContact CB-CB 3.81Å; L567-A644 HydrophobicContact CB-CB 4.07Å; S640-A644 WeakPolarHBondContact O-CB 3.4Å; S640-A644 PolarHBondContact O-N 3.36Å; A641-A644 PolarHBondContact O-N 3.09Å; A644-E646 VanDerWaalsContact C-N 3.34Å; A644-E646 PolarHBondContact O-N 2.73Å; A644-G647 PolarHBondContact O-N 3.44Å; A644-M648 WeakPolarHBondContact O-CB 3.43Å; A644-M648 WeakPolarHBondContact O-CG 3.42Å; A644-M648 PolarHBondContact O-N 3.43Å |
| 645 | V | 86 | Confident | 78.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | L567 A641 H642 W643 M648 A649 L671 F674 A742 L743 | L567-V645 HydrophobicContact CD1-CG2 4.03Å; A641-V645 WeakPolarHBondContact O-CG2 3.44Å; A641-V645 PolarHBondContact O-N 2.73Å; H642-V645 PolarHBondContact O-N 2.93Å; W643-V645 VanDerWaalsContact C-N 3.3Å; W643-V645 PolarHBondContact O-N 3.3Å; V645-M648 PolarHBondContact O-N 3.46Å; V645-A649 PolarHBondContact O-N 2.89Å; V645-L671 HydrophobicContact CG2-CD2 4.02Å; V645-F674 HydrophobicContact CB-CE1 4.36Å; V645-F674 HydrophobicContact CG2-CD1 3.95Å; V645-F674 HydrophobicContact CG2-CE1 3.82Å; V645-F674 HydrophobicContact CG2-CZ 4.4Å; V645-A742 HydrophobicContact CG1-CB 4.08Å; V645-L743 HydrophobicContact CG1-CB 3.85Å; V645-L743 HydrophobicContact CG1-CD1 4.15Å |
| 646 | E | 79.8 | Confident | 79.2 | Confident | 53 Ų | 53 | 29.8 Ų | 29.8 | 25% | 0.248 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 174.7 | -166.9 | 175 | 164.7 | 0 | 0 | 112.1 | V533 H642 W643 A644 A649 Y650 A742 | V533-E646 HydrophobicContact CG1-CG 4.23Å; H642-E646 PolarHBondContact O-N 2.9Å; W643-E646 WeakPolarHBondContact CZ3-OE2 3.34Å; W643-E646 PolarHBondContact O-N 3.28Å; A644-E646 VanDerWaalsContact C-N 3.34Å; A644-E646 PolarHBondContact O-N 2.73Å; E646-A649 WeakPolarHBondContact O-CB 3.42Å; E646-A649 PolarHBondContact O-N 3.45Å; E646-Y650 HydrophobicContact CG-CE2 4.41Å; E646-Y650 WeakPolarHBondContact O-CD2 3.48Å; E646-A742 HydrophobicContact CB-CB 4.44Å |
| 647 | G | 82.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C536 W643 A644 A649 Y650 I651 | C536-G647 WeakPolarHBondContact CB-O 3.36Å; W643-G647 PolarHBondContact O-N 2.92Å; A644-G647 PolarHBondContact O-N 3.44Å; G647-A649 VanDerWaalsContact C-N 3.27Å; G647-A649 PolarHBondContact O-N 3.37Å; G647-Y650 PolarHBondContact O-N 2.92Å; G647-I651 PolarHBondContact O-N 2.89Å |
| 648 | M | 90 | Very high | 81.8 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.2 | -34.5 | 177.3 | -72.8 | 178.2 | 73.6 | 0 | 0 | 112.9 | L560 C563 A644 V645 Y650 I651 T652 I661 L667 L671 V746 | L560-M648 HydrophobicContact CD1-CE 3.86Å; L560-M648 HydrophobicContact CD1-CG 4.41Å; C563-M648 HydrophobicContact CB-CG 3.65Å; C563-M648 HydrophobicContact CB-SD 4.2Å; A644-M648 WeakPolarHBondContact O-CB 3.43Å; A644-M648 WeakPolarHBondContact O-CG 3.42Å; A644-M648 PolarHBondContact O-N 3.43Å; V645-M648 PolarHBondContact O-N 3.46Å; M648-Y650 PolarHBondContact O-N 3.01Å; M648-I651 HydrophobicContact CG-CD1 4.46Å; M648-I651 PolarHBondContact O-N 2.87Å; M648-T652 VanDerWaalsContact O-CB 3.28Å; M648-T652 WeakPolarHBondContact O-CB 3.47Å; M648-T652 WeakPolarHBondContact O-CG2 3.39Å; M648-T652 PolarHBondContact O-N 3.33Å; M648-T652 PolarHBondContact O-OG1 3.42Å; M648-I661 HydrophobicContact CE-CD1 3.75Å; M648-I661 HydrophobicContact CE-CG1 4.09Å; M648-L667 HydrophobicContact CE-CD1 4.16Å; M648-L667 HydrophobicContact CE-CD2 4.04Å; M648-L667 HydrophobicContact CE-CG 4.29Å; M648-L667 HydrophobicContact SD-CD1 4.41Å; M648-L671 HydrophobicContact CE-CD1 3.79Å; M648-L671 HydrophobicContact CE-CD2 4.12Å; M648-L671 HydrophobicContact CE-CG 4.37Å; M648-L671 HydrophobicContact SD-CD2 4.14Å; M648-V746 HydrophobicContact CB-CG2 3.78Å |
| 649 | A | 86.6 | Confident | 82.9 | Confident | 12 Ų | 12 | 20.4 Ų | 20.4 | 10% | 0.099 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.1 | -32.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V645 E646 G647 T652 A742 V746 H749 | V645-A649 PolarHBondContact O-N 2.89Å; E646-A649 WeakPolarHBondContact O-CB 3.42Å; E646-A649 PolarHBondContact O-N 3.45Å; G647-A649 VanDerWaalsContact C-N 3.27Å; G647-A649 PolarHBondContact O-N 3.37Å; A649-T652 PolarHBondContact O-OG1 3.46Å; A649-A742 HydrophobicContact CB-CB 4.1Å; A649-V746 HydrophobicContact CB-CG2 4.04Å; A649-H749 PolarHBondContact O-CE1 3.25Å; A649-H749 PolarHBondContact O-ND1 2.96Å |
| 650 | Y | 84.2 | Confident | 84.1 | Confident | 61 Ų | 61 | 21.5 Ų | 21.5 | 24% | 0.239 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -78.8 | -53.4 | 176.3 | -64.6 | -69.7 | 0 | 0 | 0 | 112.2 | V533 K537 A540 E646 G647 M648 T652 M653 | V533-Y650 HydrophobicContact CG1-CE2 4.35Å; K537-Y650 HydrophobicContact CB-CD1 4.2Å; K537-Y650 HydrophobicContact CB-CD2 4.03Å; K537-Y650 HydrophobicContact CB-CE1 4.41Å; K537-Y650 HydrophobicContact CB-CE2 4.25Å; K537-Y650 HydrophobicContact CB-CG 4.01Å; K537-Y650 HydrophobicContact CD-CE1 4.01Å; K537-Y650 HydrophobicContact CD-CE2 4.43Å; K537-Y650 HydrophobicContact CG-CD1 3.91Å; K537-Y650 HydrophobicContact CG-CD2 4.5Å; K537-Y650 HydrophobicContact CG-CE1 3.85Å; K537-Y650 HydrophobicContact CG-CE2 4.45Å; K537-Y650 HydrophobicContact CG-CG 4.24Å; A540-Y650 VanDerWaalsContact CB-O 3.24Å; A540-Y650 WeakPolarHBondContact CB-O 3.47Å; E646-Y650 HydrophobicContact CG-CE2 4.41Å; E646-Y650 WeakPolarHBondContact O-CD2 3.48Å; G647-Y650 PolarHBondContact O-N 2.92Å; M648-Y650 PolarHBondContact O-N 3.01Å; Y650-T652 PolarHBondContact O-N 2.82Å; Y650-M653 WeakPolarHBondContact O-CB 3.48Å; Y650-M653 WeakPolarHBondContact O-CG 3.4Å; Y650-M653 PolarHBondContact O-N 3.07Å |
| 651 | I | 87.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.1 | -21.2 | -174.7 | 56.4 | 172.1 | 0 | 0 | 0 | 113.5 | C536 L559 L560 G647 M648 M653 N654 V657 | C536-I651 HydrophobicContact CB-CG2 3.77Å; L559-I651 HydrophobicContact CB-CG2 4.4Å; L559-I651 HydrophobicContact CD1-CG2 4.44Å; L560-I651 HydrophobicContact CB-CD1 3.84Å; L560-I651 HydrophobicContact CD1-CD1 4.06Å; G647-I651 PolarHBondContact O-N 2.89Å; M648-I651 HydrophobicContact CG-CD1 4.46Å; M648-I651 PolarHBondContact O-N 2.87Å; I651-M653 PolarHBondContact O-N 3.5Å; I651-M653 VanDerWaalsContact O-N 3.17Å; I651-N654 WeakPolarHBondContact O-CB 3.38Å; I651-N654 PolarHBondContact O-N 3.3Å; I651-N654 VanDerWaalsContact O-N 3.08Å; I651-V657 HydrophobicContact CB-CG1 4.34Å; I651-V657 HydrophobicContact CD1-CG1 4.19Å; I651-V657 HydrophobicContact CG1-CG1 4.1Å; I651-V657 WeakPolarHBondContact O-CB 3.44Å |
| 652 | T | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -6.6 | 176.4 | 46.5 | 0 | 0 | 0 | 0 | 114 | M648 A649 Y650 N654 V657 K658 I661 V746 H749 | M648-T652 VanDerWaalsContact O-CB 3.28Å; M648-T652 WeakPolarHBondContact O-CB 3.47Å; M648-T652 WeakPolarHBondContact O-CG2 3.39Å; M648-T652 PolarHBondContact O-N 3.33Å; M648-T652 PolarHBondContact O-OG1 3.42Å; A649-T652 PolarHBondContact O-OG1 3.46Å; Y650-T652 PolarHBondContact O-N 2.82Å; T652-N654 PolarHBondContact O-N 3.34Å; T652-V657 HydrophobicContact CG2-CG1 4.34Å; T652-K658 WeakPolarHBondContact O-CE 3.36Å; T652-K658 WeakPolarHBondContact O-CG 3.47Å; T652-I661 HydrophobicContact CG2-CD1 3.39Å; T652-V746 HydrophobicContact CG2-CG1 4.14Å; T652-V746 HydrophobicContact CG2-CG2 4.39Å; T652-H749 WeakPolarHBondContact O-CB 3.34Å; T652-H749 PolarHBondContact OG1-ND1 3.24Å |
| 653 | M | 82.7 | Confident | 86.8 | Confident | 49 Ų | 49 | 25.2 Ų | 25.2 | 24% | 0.241 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -31 | 167.2 | -64.1 | -176.6 | 75.4 | 0 | 0 | 111.8 | A540 T544 Y650 I651 | A540-M653 HydrophobicContact CB-SD 4.17Å; T544-M653 HydrophobicContact CG2-CE 4.17Å; Y650-M653 WeakPolarHBondContact O-CB 3.48Å; Y650-M653 WeakPolarHBondContact O-CG 3.4Å; Y650-M653 PolarHBondContact O-N 3.07Å; I651-M653 PolarHBondContact O-N 3.5Å; I651-M653 VanDerWaalsContact O-N 3.17Å |
| 654 | N | 84.5 | Confident | 87.5 | Confident | 43 Ų | 43 | 25.9 Ų | 25.9 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -77.8 | 130.6 | 176.9 | 177.3 | -65.4 | 0 | 0 | 0 | 111.1 | I651 T652 D656 V657 K658 | I651-N654 WeakPolarHBondContact O-CB 3.38Å; I651-N654 PolarHBondContact O-N 3.3Å; I651-N654 VanDerWaalsContact O-N 3.08Å; T652-N654 PolarHBondContact O-N 3.34Å; N654-D656 PolarHBondContact O-N 3.47Å; N654-D656 VanDerWaalsContact OD1-CB 3.31Å; N654-D656 WeakPolarHBondContact OD1-CB 3.47Å; N654-D656 PolarHBondContact OD1-N 3.3Å; N654-V657 HydrophobicContact CB-CB 4.41Å; N654-V657 HydrophobicContact CB-CG2 4.03Å; N654-V657 WeakPolarHBondContact O-CB 3.3Å; N654-V657 PolarHBondContact O-N 3.01Å; N654-V657 PolarHBondContact OD1-N 3.26Å; N654-K658 WeakPolarHBondContact O-CG 3.47Å; N654-K658 PolarHBondContact O-N 3.48Å |
| 655 | A | 85.7 | Confident | 87.8 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 5% | 0.05 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.7 | -31.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V657 K658 E659 H778 | A655-V657 VanDerWaalsContact C-N 3.31Å; A655-V657 PolarHBondContact O-N 3.43Å; A655-K658 WeakPolarHBondContact O-CB 3.19Å; A655-K658 PolarHBondContact O-N 3.02Å; A655-E659 PolarHBondContact O-N 2.88Å; A655-E659 VanDerWaalsContact O-N 3.17Å; A655-H778 HydrophobicContact CB-CB 3.63Å; A655-H778 WeakPolarHBondContact CB-ND1 3.48Å |
| 656 | D | 86.8 | Confident | 88 | Confident | 57 Ų | 57 | 31.3 Ų | 31.3 | 31% | 0.305 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 174.9 | -56.4 | -47.2 | 0 | 0 | 0 | 110.9 | N654 K658 E659 E660 H778 Y780 | N654-D656 PolarHBondContact O-N 3.47Å; N654-D656 VanDerWaalsContact OD1-CB 3.31Å; N654-D656 WeakPolarHBondContact OD1-CB 3.47Å; N654-D656 PolarHBondContact OD1-N 3.3Å; D656-K658 VanDerWaalsContact C-N 3.3Å; D656-K658 PolarHBondContact O-N 3.44Å; D656-E659 PolarHBondContact O-N 3.32Å; D656-E660 WeakPolarHBondContact O-CB 3.49Å; D656-E660 PolarHBondContact O-N 3.16Å; D656-H778 IonicContact OD1-CE1 2.72Å; D656-H778 PolarHBondContact OD1-CE1 3.29Å; D656-H778 IonicContact OD1-NE2 3.59Å; D656-H778 PolarHBondContact OD1-NE2 3.48Å; D656-Y780 WeakPolarHBondContact OD1-CE2 3.24Å |
| 657 | V | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | N556 L560 I651 T652 N654 A655 E660 I661 | N556-V657 HydrophobicContact CB-CG2 3.72Å; L560-V657 HydrophobicContact CB-CG1 4.39Å; L560-V657 HydrophobicContact CD1-CG1 4.19Å; L560-V657 HydrophobicContact CD2-CG1 4.09Å; L560-V657 HydrophobicContact CG-CG1 4.44Å; I651-V657 HydrophobicContact CB-CG1 4.34Å; I651-V657 HydrophobicContact CD1-CG1 4.19Å; I651-V657 HydrophobicContact CG1-CG1 4.1Å; I651-V657 WeakPolarHBondContact O-CB 3.44Å; T652-V657 HydrophobicContact CG2-CG1 4.34Å; N654-V657 HydrophobicContact CB-CB 4.41Å; N654-V657 HydrophobicContact CB-CG2 4.03Å; N654-V657 WeakPolarHBondContact O-CB 3.3Å; N654-V657 PolarHBondContact O-N 3.01Å; N654-V657 PolarHBondContact OD1-N 3.26Å; A655-V657 VanDerWaalsContact C-N 3.31Å; A655-V657 PolarHBondContact O-N 3.43Å; V657-E660 PolarHBondContact O-N 3.44Å; V657-I661 HydrophobicContact CG1-CD1 3.84Å; V657-I661 HydrophobicContact CG1-CG1 4.45Å; V657-I661 WeakPolarHBondContact O-CD1 3.42Å; V657-I661 VanDerWaalsContact O-CG1 3.25Å; V657-I661 WeakPolarHBondContact O-CG1 3.4Å; V657-I661 PolarHBondContact O-N 2.96Å |
| 658 | K | 92.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 177.1 | -60.7 | 172 | -157.9 | 169.8 | 0 | 110.8 | T652 N654 A655 D656 I661 I662 L750 D781 | T652-K658 WeakPolarHBondContact O-CE 3.36Å; T652-K658 WeakPolarHBondContact O-CG 3.47Å; N654-K658 WeakPolarHBondContact O-CG 3.47Å; N654-K658 PolarHBondContact O-N 3.48Å; A655-K658 WeakPolarHBondContact O-CB 3.19Å; A655-K658 PolarHBondContact O-N 3.02Å; D656-K658 VanDerWaalsContact C-N 3.3Å; D656-K658 PolarHBondContact O-N 3.44Å; K658-I661 PolarHBondContact O-N 2.96Å; K658-I662 VanDerWaalsContact O-CG1 3.22Å; K658-I662 WeakPolarHBondContact O-CG1 3.37Å; K658-I662 PolarHBondContact O-N 3.41Å; K658-L750 HydrophobicContact CB-CD2 4.09Å; K658-L750 HydrophobicContact CG-CD2 4.36Å; K658-D781 VanDerWaalsContact NZ-CG 3.32Å; K658-D781 IonicContact NZ-OD1 3.06Å; K658-D781 PolarHBondContact NZ-OD1 3.22Å; K658-D781 IonicContact NZ-OD2 3.29Å; K658-D781 PolarHBondContact NZ-OD2 2.96Å |
| 659 | E | 91.1 | Very high | 88.9 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.3 | -39.7 | 179.2 | -79.8 | -56.8 | 158.5 | 0 | 0 | 112.8 | A655 D656 I661 I662 N663 Y780 R789 | A655-E659 PolarHBondContact O-N 2.88Å; A655-E659 VanDerWaalsContact O-N 3.17Å; D656-E659 PolarHBondContact O-N 3.32Å; E659-I661 VanDerWaalsContact C-N 3.32Å; E659-I661 PolarHBondContact O-N 3.48Å; E659-I662 PolarHBondContact O-N 3.35Å; E659-N663 WeakPolarHBondContact O-CB 3.5Å; E659-N663 VanDerWaalsContact O-CG 3.29Å; E659-N663 PolarHBondContact O-N 3.15Å; E659-N663 PolarHBondContact O-ND2 3.11Å; E659-Y780 HydrophobicContact CB-CD2 4.31Å; E659-Y780 HydrophobicContact CG-CD1 4.05Å; E659-Y780 HydrophobicContact CG-CD2 3.9Å; E659-Y780 HydrophobicContact CG-CE2 4.44Å; E659-Y780 HydrophobicContact CG-CG 3.69Å; E659-R789 WeakPolarHBondContact OE1-CD 3.47Å; E659-R789 VanDerWaalsContact OE1-CG 3.24Å; E659-R789 WeakPolarHBondContact OE1-CG 3.42Å; E659-R789 IonicContact OE1-NE 3.54Å; E659-R789 PolarHBondContact OE1-NE 3.13Å |
| 660 | E | 90.4 | Very high | 88.9 | Confident | 87 Ų | 87 | 30.8 Ų | 30.8 | 41% | 0.407 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.8 | -170.3 | 68.4 | -179.3 | 0 | 0 | 111.4 | V557 L560 D656 V657 N663 D664 | V557-E660 HydrophobicContact CG1-CG 4.36Å; L560-E660 HydrophobicContact CD2-CB 3.78Å; L560-E660 HydrophobicContact CD2-CG 3.65Å; D656-E660 WeakPolarHBondContact O-CB 3.49Å; D656-E660 PolarHBondContact O-N 3.16Å; V657-E660 PolarHBondContact O-N 3.44Å; E660-N663 PolarHBondContact O-N 3.26Å; E660-D664 PolarHBondContact O-N 3.03Å; E660-D664 VanDerWaalsContact O-N 3.14Å |
| 661 | I | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 174.3 | -69.7 | 164.4 | 0 | 0 | 0 | 110.8 | L560 M648 T652 V657 K658 E659 N663 D664 L667 V668 L671 L750 | L560-I661 HydrophobicContact CD1-CD1 3.81Å; L560-I661 HydrophobicContact CD1-CG1 3.57Å; L560-I661 HydrophobicContact CD2-CG1 3.78Å; L560-I661 HydrophobicContact CG-CG1 4.31Å; M648-I661 HydrophobicContact CE-CD1 3.75Å; M648-I661 HydrophobicContact CE-CG1 4.09Å; T652-I661 HydrophobicContact CG2-CD1 3.39Å; V657-I661 HydrophobicContact CG1-CD1 3.84Å; V657-I661 HydrophobicContact CG1-CG1 4.45Å; V657-I661 WeakPolarHBondContact O-CD1 3.42Å; V657-I661 VanDerWaalsContact O-CG1 3.25Å; V657-I661 WeakPolarHBondContact O-CG1 3.4Å; V657-I661 PolarHBondContact O-N 2.96Å; K658-I661 PolarHBondContact O-N 2.96Å; E659-I661 VanDerWaalsContact C-N 3.32Å; E659-I661 PolarHBondContact O-N 3.48Å; I661-N663 PolarHBondContact O-N 3.01Å; I661-D664 PolarHBondContact O-N 2.77Å; I661-D664 VanDerWaalsContact O-N 3.13Å; I661-L667 HydrophobicContact CG1-CD2 4.03Å; I661-L667 HydrophobicContact CG2-CD2 4.4Å; I661-V668 HydrophobicContact CG2-CG2 3.96Å; I661-V668 WeakPolarHBondContact O-CG2 3.45Å; I661-L671 HydrophobicContact CG2-CD1 4.22Å; I661-L750 HydrophobicContact CB-CD2 4.02Å; I661-L750 HydrophobicContact CD1-CD2 4.11Å; I661-L750 HydrophobicContact CG2-CD1 3.89Å; I661-L750 HydrophobicContact CG2-CD2 3.92Å |
| 662 | I | 92.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -31 | -177 | -68.4 | -68.5 | 0 | 0 | 0 | 111.6 | K658 E659 D664 L750 R789 K792 L793 | K658-I662 VanDerWaalsContact O-CG1 3.22Å; K658-I662 WeakPolarHBondContact O-CG1 3.37Å; K658-I662 PolarHBondContact O-N 3.41Å; E659-I662 PolarHBondContact O-N 3.35Å; I662-D664 VanDerWaalsContact C-N 3.35Å; I662-L750 HydrophobicContact CD1-CD2 4.42Å; I662-L750 HydrophobicContact CG1-CD2 4.26Å; I662-R789 HydrophobicContact CB-CG 4.37Å; I662-R789 HydrophobicContact CD1-CB 4.46Å; I662-R789 HydrophobicContact CG1-CB 4.32Å; I662-R789 HydrophobicContact CG1-CG 3.93Å; I662-R789 HydrophobicContact CG2-CG 4.13Å; I662-K792 HydrophobicContact CG2-CB 4.47Å; I662-K792 HydrophobicContact CG2-CD 3.69Å; I662-K792 HydrophobicContact CG2-CG 4.4Å; I662-K792 WeakPolarHBondContact O-CE 3.4Å; I662-K792 PolarHBondContact O-NZ 2.61Å; I662-L793 HydrophobicContact CD1-CD1 3.87Å; I662-L793 HydrophobicContact CD1-CD2 3.51Å; I662-L793 HydrophobicContact CD1-CG 3.51Å |
| 663 | N | 91.5 | Very high | 89 | Confident | 104 Ų | 104 | 29 Ų | 29 | 56% | 0.556 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -74.5 | -25.1 | 175.7 | -70.1 | -36.6 | 0 | 0 | 0 | 113 | E659 E660 I661 G665 | E659-N663 WeakPolarHBondContact O-CB 3.5Å; E659-N663 VanDerWaalsContact O-CG 3.29Å; E659-N663 PolarHBondContact O-N 3.15Å; E659-N663 PolarHBondContact O-ND2 3.11Å; E660-N663 PolarHBondContact O-N 3.26Å; I661-N663 PolarHBondContact O-N 3.01Å; N663-G665 PolarHBondContact O-N 3.45Å |
| 664 | D | 91.2 | Very high | 89 | Confident | 37 Ų | 37 | 26.6 Ų | 26.6 | 20% | 0.198 | 15% | 0.15 | C | C | . | . | trans | -86 | 91 | 172.3 | -169.5 | -18.3 | 0 | 0 | 0 | 112.9 | R564 E660 I661 I662 E666 L667 V668 | R564-D664 IonicContact CZ-OD2 3.97Å; R564-D664 IonicContact NE-OD2 2.74Å; R564-D664 PolarHBondContact NE-OD2 3.34Å; R564-D664 IonicContact NH2-OD1 4Å; R564-D664 IonicContact NH2-OD2 3.39Å; R564-D664 PolarHBondContact NH2-OD2 2.96Å; R564-D664 VanDerWaalsContact NH2-OD2 3.16Å; E660-D664 PolarHBondContact O-N 3.03Å; E660-D664 VanDerWaalsContact O-N 3.14Å; I661-D664 PolarHBondContact O-N 2.77Å; I661-D664 VanDerWaalsContact O-N 3.13Å; I662-D664 VanDerWaalsContact C-N 3.35Å; D664-E666 PolarHBondContact O-N 3.29Å; D664-E666 WeakPolarHBondContact OD1-CB 3.37Å; D664-E666 PolarHBondContact OD1-N 3.45Å; D664-L667 HydrophobicContact CB-CB 3.86Å; D664-L667 VanDerWaalsContact CG-CB 3.44Å; D664-L667 PolarHBondContact O-N 3.19Å; D664-L667 PolarHBondContact OD1-N 3.49Å; D664-V668 PolarHBondContact O-N 2.78Å; D664-V668 VanDerWaalsContact O-N 3.11Å | ||
| 665 | G | 89.5 | Confident | 88.4 | Confident | 33 Ų | 33 | 24.7 Ų | 24.7 | 34% | 0.34 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.2 | -28.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N663 S669 M796 | N663-G665 PolarHBondContact O-N 3.45Å; G665-S669 WeakPolarHBondContact O-CB 3.47Å; G665-S669 PolarHBondContact O-N 3.43Å; G665-S669 VanDerWaalsContact O-N 3.15Å; G665-M796 VanDerWaalsContact O-CE 3.23Å; G665-M796 WeakPolarHBondContact O-CE 3.36Å |
| 666 | E | 88.9 | Confident | 87.6 | Confident | 81 Ų | 81 | 27.1 Ų | 27.1 | 38% | 0.379 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -72.6 | -43.5 | 178.5 | -175.1 | 177.4 | -140.8 | 0 | 0 | 110.6 | R564 L568 K570 D664 S669 A670 | R564-E666 IonicContact NH2-OE2 2.62Å; R564-E666 PolarHBondContact NH2-OE2 3.42Å; L568-E666 HydrophobicContact CD1-CG 4.13Å; L568-E666 HydrophobicContact CD2-CG 4.12Å; K570-E666 WeakPolarHBondContact CE-OE1 3.31Å; K570-E666 IonicContact NZ-OE1 3.35Å; K570-E666 PolarHBondContact NZ-OE1 3.09Å; K570-E666 IonicContact NZ-OE2 2.66Å; K570-E666 PolarHBondContact NZ-OE2 3.16Å; D664-E666 PolarHBondContact O-N 3.29Å; D664-E666 WeakPolarHBondContact OD1-CB 3.37Å; D664-E666 PolarHBondContact OD1-N 3.45Å; E666-S669 PolarHBondContact O-N 3.34Å; E666-A670 PolarHBondContact O-N 2.85Å |
| 667 | L | 90.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 177.1 | 179.1 | 56.4 | 0 | 0 | 0 | 112.1 | L560 R564 L567 M648 I661 D664 S669 A670 L671 | L560-L667 HydrophobicContact CD1-CD2 4.16Å; R564-L667 HydrophobicContact CB-CD1 4.3Å; R564-L667 HydrophobicContact CB-CD2 4.29Å; R564-L667 HydrophobicContact CG-CD1 4.15Å; R564-L667 HydrophobicContact CG-CD2 4.26Å; L567-L667 HydrophobicContact CD2-CD1 3.73Å; M648-L667 HydrophobicContact CE-CD1 4.16Å; M648-L667 HydrophobicContact CE-CD2 4.04Å; M648-L667 HydrophobicContact CE-CG 4.29Å; M648-L667 HydrophobicContact SD-CD1 4.41Å; I661-L667 HydrophobicContact CG1-CD2 4.03Å; I661-L667 HydrophobicContact CG2-CD2 4.4Å; D664-L667 HydrophobicContact CB-CB 3.86Å; D664-L667 VanDerWaalsContact CG-CB 3.44Å; D664-L667 PolarHBondContact O-N 3.19Å; D664-L667 PolarHBondContact OD1-N 3.49Å; L667-S669 VanDerWaalsContact C-N 3.34Å; L667-S669 PolarHBondContact O-N 3.5Å; L667-A670 WeakPolarHBondContact O-CB 3.1Å; L667-A670 PolarHBondContact O-N 3.45Å; L667-L671 WeakPolarHBondContact O-CG 3.32Å; L667-L671 PolarHBondContact O-N 2.78Å |
| 668 | V | 91.2 | Very high | 84.8 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | I661 D664 A670 L671 L672 L793 M796 | I661-V668 HydrophobicContact CG2-CG2 3.96Å; I661-V668 WeakPolarHBondContact O-CG2 3.45Å; D664-V668 PolarHBondContact O-N 2.78Å; D664-V668 VanDerWaalsContact O-N 3.11Å; V668-A670 VanDerWaalsContact C-N 3.3Å; V668-A670 PolarHBondContact O-N 2.92Å; V668-L671 PolarHBondContact O-N 3.33Å; V668-L672 HydrophobicContact CG1-CD1 4.01Å; V668-L672 HydrophobicContact CG1-CG 4.31Å; V668-L672 VanDerWaalsContact O-CG 3.31Å; V668-L672 WeakPolarHBondContact O-CG 3.46Å; V668-L672 PolarHBondContact O-N 3.41Å; V668-L793 HydrophobicContact CG1-CD2 3.8Å; V668-M796 HydrophobicContact CB-CE 3.57Å; V668-M796 HydrophobicContact CB-SD 4.08Å; V668-M796 HydrophobicContact CG1-CB 4.32Å; V668-M796 HydrophobicContact CG1-CE 3.57Å; V668-M796 HydrophobicContact CG1-SD 3.7Å |
| 669 | S | 89.1 | Confident | 82.6 | Confident | 50 Ų | 50 | 27.7 Ų | 27.7 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61 | -39.5 | 175.6 | -171.2 | 0 | 0 | 0 | 0 | 112 | G665 E666 L667 L672 S673 | G665-S669 WeakPolarHBondContact O-CB 3.47Å; G665-S669 PolarHBondContact O-N 3.43Å; G665-S669 VanDerWaalsContact O-N 3.15Å; E666-S669 PolarHBondContact O-N 3.34Å; L667-S669 VanDerWaalsContact C-N 3.34Å; L667-S669 PolarHBondContact O-N 3.5Å; S669-L672 PolarHBondContact O-N 3.41Å; S669-S673 VanDerWaalsContact O-CB 3.3Å; S669-S673 WeakPolarHBondContact O-CB 3.33Å; S669-S673 PolarHBondContact O-N 3.06Å; S669-S673 PolarHBondContact O-OG 2.99Å |
| 670 | A | 88 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L567 L568 I633 F635 E666 L667 V668 L672 S673 F674 | L567-A670 HydrophobicContact CD2-CB 3.95Å; L567-A670 HydrophobicContact CG-CB 4.27Å; L568-A670 HydrophobicContact CD2-CB 3.53Å; I633-A670 HydrophobicContact CD1-CB 4.18Å; F635-A670 WeakPolarHBondContact CZ-O 3.49Å; E666-A670 PolarHBondContact O-N 2.85Å; L667-A670 WeakPolarHBondContact O-CB 3.1Å; L667-A670 PolarHBondContact O-N 3.45Å; V668-A670 VanDerWaalsContact C-N 3.3Å; V668-A670 PolarHBondContact O-N 2.92Å; A670-L672 VanDerWaalsContact C-N 3.34Å; A670-L672 PolarHBondContact O-N 2.91Å; A670-S673 WeakPolarHBondContact CA-OG 3.26Å; A670-S673 PolarHBondContact O-N 3.36Å; A670-S673 PolarHBondContact O-OG 3.45Å; A670-F674 VanDerWaalsContact O-CB 3.24Å; A670-F674 WeakPolarHBondContact O-CB 3.37Å; A670-F674 PolarHBondContact O-N 2.65Å |
| 671 | L | 88.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.4 | -72.3 | 171 | 0 | 0 | 0 | 112.5 | L567 V645 M648 I661 L667 V668 F674 L743 V746 | L567-L671 HydrophobicContact CD2-CD2 3.76Å; L567-L671 HydrophobicContact CD2-CG 4.01Å; V645-L671 HydrophobicContact CG2-CD2 4.02Å; M648-L671 HydrophobicContact CE-CD1 3.79Å; M648-L671 HydrophobicContact CE-CD2 4.12Å; M648-L671 HydrophobicContact CE-CG 4.37Å; M648-L671 HydrophobicContact SD-CD2 4.14Å; I661-L671 HydrophobicContact CG2-CD1 4.22Å; L667-L671 WeakPolarHBondContact O-CG 3.32Å; L667-L671 PolarHBondContact O-N 2.78Å; V668-L671 PolarHBondContact O-N 3.33Å; L671-F674 WeakPolarHBondContact O-CB 3.4Å; L671-L743 HydrophobicContact CB-CD1 4.39Å; L671-L743 HydrophobicContact CD2-CD1 4.16Å; L671-V746 HydrophobicContact CD1-CG1 4.05Å |
| 672 | L | 89.8 | Confident | 74.9 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -44.1 | 179.1 | -66.1 | -178.9 | 0 | 0 | 0 | 111.7 | V668 S669 A670 F674 A675 L747 M796 L798 S801 | V668-L672 HydrophobicContact CG1-CD1 4.01Å; V668-L672 HydrophobicContact CG1-CG 4.31Å; V668-L672 VanDerWaalsContact O-CG 3.31Å; V668-L672 WeakPolarHBondContact O-CG 3.46Å; V668-L672 PolarHBondContact O-N 3.41Å; S669-L672 PolarHBondContact O-N 3.41Å; A670-L672 VanDerWaalsContact C-N 3.34Å; A670-L672 PolarHBondContact O-N 2.91Å; L672-F674 VanDerWaalsContact C-N 3.27Å; L672-F674 PolarHBondContact O-N 3.32Å; L672-A675 WeakPolarHBondContact O-CB 3.05Å; L672-A675 PolarHBondContact O-N 3.39Å; L672-A675 VanDerWaalsContact O-N 3.16Å; L672-L747 HydrophobicContact CD2-CD2 4.13Å; L672-M796 HydrophobicContact CD1-CB 4.04Å; L672-M796 VanDerWaalsContact CD1-O 3.3Å; L672-M796 WeakPolarHBondContact CD1-O 3.23Å; L672-L798 HydrophobicContact CD2-CB 4.29Å; L672-L798 HydrophobicContact CD2-CD1 3.96Å; L672-S801 WeakPolarHBondContact CB-OG 3.46Å; L672-S801 PolarHBondContact O-OG 3.32Å |
| 673 | S | 84.1 | Confident | 71.8 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -28.1 | 175.8 | 59 | 0 | 0 | 0 | 0 | 113.1 | S669 A670 A675 E676 F677 | S669-S673 VanDerWaalsContact O-CB 3.3Å; S669-S673 WeakPolarHBondContact O-CB 3.33Å; S669-S673 PolarHBondContact O-N 3.06Å; S669-S673 PolarHBondContact O-OG 2.99Å; A670-S673 WeakPolarHBondContact CA-OG 3.26Å; A670-S673 PolarHBondContact O-N 3.36Å; A670-S673 PolarHBondContact O-OG 3.45Å; S673-A675 VanDerWaalsContact C-N 3.26Å; S673-A675 PolarHBondContact O-N 2.92Å; S673-E676 WeakPolarHBondContact O-CA 3.31Å; S673-E676 WeakPolarHBondContact O-CB 3.41Å; S673-E676 PolarHBondContact O-N 3.45Å; S673-F677 PolarHBondContact O-N 3.04Å |
| 674 | F | 82 | Confident | 68.7 | Low | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -33.2 | 173.4 | -176.6 | -108.3 | 0 | 0 | 0 | 112.4 | F635 L638 A641 H642 V645 A670 L671 L672 E676 S678 S739 L743 | F635-F674 HydrophobicContact CE1-CD2 4.38Å; F635-F674 HydrophobicContact CE2-CB 4.13Å; F635-F674 HydrophobicContact CE2-CD2 4.17Å; F635-F674 HydrophobicContact CZ-CB 3.75Å; F635-F674 HydrophobicContact CZ-CD2 4.11Å; F635-F674 HydrophobicContact CZ-CG 4.44Å; L638-F674 HydrophobicContact CD1-CD2 4.36Å; L638-F674 HydrophobicContact CD1-CE2 3.82Å; A641-F674 HydrophobicContact CB-CD2 4.1Å; A641-F674 HydrophobicContact CB-CE2 3.64Å; A641-F674 HydrophobicContact CB-CZ 4.42Å; H642-F674 AromaticContact CE1-CZ 3.75Å; H642-F674 AromaticContact CG-CZ 3.95Å; H642-F674 AromaticContact ND1-CZ 3.38Å; H642-F674 WeakPolarHBondContact ND1-CZ 3.31Å; V645-F674 HydrophobicContact CB-CE1 4.36Å; V645-F674 HydrophobicContact CG2-CD1 3.95Å; V645-F674 HydrophobicContact CG2-CE1 3.82Å; V645-F674 HydrophobicContact CG2-CZ 4.4Å; A670-F674 VanDerWaalsContact O-CB 3.24Å; A670-F674 WeakPolarHBondContact O-CB 3.37Å; A670-F674 PolarHBondContact O-N 2.65Å; L671-F674 WeakPolarHBondContact O-CB 3.4Å; L672-F674 VanDerWaalsContact C-N 3.27Å; L672-F674 PolarHBondContact O-N 3.32Å; F674-E676 PolarHBondContact O-N 3.31Å; F674-S678 WeakPolarHBondContact O-CB 3.44Å; F674-S678 PolarHBondContact O-N 3.27Å; F674-S678 VanDerWaalsContact O-N 3.16Å; F674-S678 PolarHBondContact O-OG 3.34Å; F674-S739 WeakPolarHBondContact CE1-OG 3.35Å; F674-S739 WeakPolarHBondContact CZ-OG 3.33Å; F674-L743 HydrophobicContact CD1-CD1 4.36Å; F674-L743 HydrophobicContact CD1-CD2 4.03Å |
| 675 | A | 72.9 | Confident | 65.6 | Low | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -35.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L672 S673 L743 L805 | L672-A675 WeakPolarHBondContact O-CB 3.05Å; L672-A675 PolarHBondContact O-N 3.39Å; L672-A675 VanDerWaalsContact O-N 3.16Å; S673-A675 VanDerWaalsContact C-N 3.26Å; S673-A675 PolarHBondContact O-N 2.92Å; A675-L743 HydrophobicContact CB-CD2 3.76Å; A675-L805 HydrophobicContact CB-CD1 4.18Å; A675-L805 HydrophobicContact CB-CD2 4.13Å; A675-L805 HydrophobicContact CB-CG 4.05Å |
| 676 | E | 69 | Low | 62.5 | Low | 58 Ų | 58 | 47.4 Ų | 47.4 | 27% | 0.271 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -79.3 | -44.6 | -179.2 | -44.4 | -163.1 | 138.4 | 0 | 0 | 112.8 | S673 F674 S678 S679 R680 Q804 | S673-E676 WeakPolarHBondContact O-CA 3.31Å; S673-E676 WeakPolarHBondContact O-CB 3.41Å; S673-E676 PolarHBondContact O-N 3.45Å; F674-E676 PolarHBondContact O-N 3.31Å; E676-S678 VanDerWaalsContact C-N 3.34Å; E676-S678 PolarHBondContact O-N 3.13Å; E676-S679 VanDerWaalsContact O-CB 3.31Å; E676-S679 WeakPolarHBondContact O-CB 3.22Å; E676-S679 PolarHBondContact O-N 3.16Å; E676-S679 PolarHBondContact O-OG 3.24Å; E676-R680 PolarHBondContact O-N 3Å; E676-Q804 VanDerWaalsContact CB-OE1 3.24Å; E676-Q804 PolarHBondContact OE1-NE2 3.35Å |
| 677 | F | 62.1 | Low | 59.3 | Low | 42 Ų | 42 | 53.2 Ų | 53.2 | 18% | 0.184 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | -179.5 | -94.6 | -86.5 | 0 | 0 | 0 | 112.6 | I633 F635 S673 S679 R680 | I633-F677 WeakPolarHBondContact O-CE2 3.36Å; I633-F677 WeakPolarHBondContact O-CZ 3.47Å; F635-F677 HydrophobicContact CD2-CB 4.11Å; F635-F677 AromaticContact CD2-CD2 4Å; F635-F677 HydrophobicContact CD2-CD2 4Å; F635-F677 AromaticContact CD2-CG 3.99Å; F635-F677 HydrophobicContact CD2-CG 3.99Å; F635-F677 HydrophobicContact CE2-CB 4.17Å; F635-F677 AromaticContact CE2-CD2 3.84Å; F635-F677 HydrophobicContact CE2-CD2 3.84Å; F635-F677 HydrophobicContact CE2-CG 4.16Å; S673-F677 PolarHBondContact O-N 3.04Å; F677-S679 PolarHBondContact O-N 2.83Å; F677-S679 VanDerWaalsContact O-N 3.09Å; F677-R680 PolarHBondContact O-N 3.5Å |
| 678 | S | 53.1 | Low | 56.1 | Low | 14 Ų | 14 | 58.4 Ų | 58.4 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.8 | -21.3 | 173.3 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | F674 E676 | F674-S678 WeakPolarHBondContact O-CB 3.44Å; F674-S678 PolarHBondContact O-N 3.27Å; F674-S678 VanDerWaalsContact O-N 3.16Å; F674-S678 PolarHBondContact O-OG 3.34Å; E676-S678 VanDerWaalsContact C-N 3.34Å; E676-S678 PolarHBondContact O-N 3.13Å |
| 679 | S | 47.2 | Very low | 52.9 | Low | 19 Ų | 19 | 64.7 Ų | 64.7 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -82.4 | -36.2 | 176.9 | 81 | 0 | 0 | 0 | 0 | 114.4 | E676 F677 H683 | E676-S679 VanDerWaalsContact O-CB 3.31Å; E676-S679 WeakPolarHBondContact O-CB 3.22Å; E676-S679 PolarHBondContact O-N 3.16Å; E676-S679 PolarHBondContact O-OG 3.24Å; F677-S679 PolarHBondContact O-N 2.83Å; F677-S679 VanDerWaalsContact O-N 3.09Å; S679-H683 PolarHBondContact O-CD2 3.39Å |
| 680 | R | 39.7 | Very low | 49.8 | Very low | 161 Ų | 161 | 71.7 Ų | 71.7 | 61% | 0.608 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -77.2 | -34.6 | -169.4 | -74.2 | -173.2 | -179.3 | -178 | 2.9 | 113.9 | E676 F677 E682 H683 | E676-R680 PolarHBondContact O-N 3Å; F677-R680 PolarHBondContact O-N 3.5Å; R680-E682 VanDerWaalsContact C-N 3.34Å; R680-E682 PolarHBondContact O-N 3.29Å; R680-H683 PolarHBondContact O-N 3.41Å |
| 681 | N | 37 | Very low | 46.8 | Very low | 87 Ų | 87 | 77.3 Ų | 77.3 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.5 | -30.6 | -173.1 | -78.8 | -20.3 | 0 | 0 | 0 | 112.8 | S684 | N681-S684 PolarHBondContact O-OG 2.93Å; N681-S684 VanDerWaalsContact O-OG 3.06Å |
| 682 | E | 34.4 | Very low | 43.8 | Very low | 73 Ų | 73 | 84.9 Ų | 84.9 | 34% | 0.341 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.6 | -40.1 | 176.3 | -67.2 | -179.5 | -180 | 0 | 0 | 112.1 | R680 S684 T685 | R680-E682 VanDerWaalsContact C-N 3.34Å; R680-E682 PolarHBondContact O-N 3.29Å; E682-S684 VanDerWaalsContact C-N 3.26Å; E682-S684 PolarHBondContact O-N 2.98Å; E682-T685 PolarHBondContact O-N 3.13Å; E682-T685 PolarHBondContact O-OG1 2.77Å |
| 683 | H | 27.5 | Very low | 41 | Very low | 97 Ų | 97 | 94 Ų | 94 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.7 | -23.4 | -176.4 | -70 | -43.7 | 0 | 0 | 0 | 114.5 | S679 R680 T685 L686 | S679-H683 PolarHBondContact O-CD2 3.39Å; R680-H683 PolarHBondContact O-N 3.41Å; H683-T685 PolarHBondContact O-N 3.3Å; H683-L686 PolarHBondContact O-N 2.64Å |
| 684 | S | 26.7 | Very low | 38.5 | Very low | 90 Ų | 90 | 99.2 Ų | 99.2 | 63% | 0.629 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.3 | 172.4 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | N681 E682 | N681-S684 PolarHBondContact O-OG 2.93Å; N681-S684 VanDerWaalsContact O-OG 3.06Å; E682-S684 VanDerWaalsContact C-N 3.26Å; E682-S684 PolarHBondContact O-N 2.98Å |
| 685 | T | 27.2 | Very low | 36.1 | Very low | 74 Ų | 74 | 105.2 Ų | 105.2 | 45% | 0.454 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -15.5 | -179.6 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | E682 H683 K730 | E682-T685 PolarHBondContact O-N 3.13Å; E682-T685 PolarHBondContact O-OG1 2.77Å; H683-T685 PolarHBondContact O-N 3.3Å; T685-K730 PolarHBondContact O-NZ 2.73Å |
| 686 | L | 23.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 109.9 Ų | 109.9 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | trans | -119.1 | 61.3 | -171.8 | -137 | 91.4 | 0 | 0 | 0 | 112.2 | H683 P688 | H683-L686 PolarHBondContact O-N 2.64Å; L686-P688 WeakPolarHBondContact O-CD 3.17Å | ||
| 687 | Y | 22 | Very low | 32.3 | Very low | 203 Ų | 203 | 110.4 Ų | 110.4 | 80% | 0.796 | 55% | 0.547 | S | S | * | . | trans | -63.9 | 113.4 | 157 | -92.2 | -85.2 | 0 | 0 | 0 | 107.1 | I689 | Y687-I689 VanDerWaalsContact C-N 3.32Å; Y687-I689 PolarHBondContact O-N 3.24Å | ||
| 688 | P | 23.7 | Very low | 30.8 | Very low | 110 Ų | 110 | 115.6 Ų | 115.6 | 71% | 0.714 | 57% | 0.57 | S | S | * | * | trans | -75.2 | 97.3 | 175.4 | 28.3 | -21.2 | 0 | 0 | 0 | 105.3 | L686 K690 | L686-P688 WeakPolarHBondContact O-CD 3.17Å; P688-K690 PolarHBondContact O-N 3.42Å | ||
| 689 | I | 23.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 69% | 0.692 | 59% | 0.588 | S | S | * | * | trans | -66.2 | 89 | 175.2 | -42.2 | 178 | 0 | 0 | 0 | 106.3 | Y687 L691 | Y687-I689 VanDerWaalsContact C-N 3.32Å; Y687-I689 PolarHBondContact O-N 3.24Å; I689-L691 HydrophobicContact CB-CG 4.36Å; I689-L691 HydrophobicContact CG2-CB 4.5Å; I689-L691 HydrophobicContact CG2-CD1 4.4Å; I689-L691 HydrophobicContact CG2-CD2 3.97Å; I689-L691 HydrophobicContact CG2-CG 3.58Å; I689-L691 PolarHBondContact O-N 3.44Å | ||
| 690 | K | 23.7 | Very low | 29.1 | Very low | 198 Ų | 198 | 121.6 Ų | 121.6 | 86% | 0.861 | 61% | 0.606 | S | S | * | * | trans | -64.4 | 79.9 | 153.4 | -88.7 | -177.4 | 174.2 | 177.5 | 0 | 105.5 | P688 K692 | P688-K690 PolarHBondContact O-N 3.42Å; K690-K692 PolarHBondContact O-N 2.86Å | ||
| 691 | L | 24.3 | Very low | 28.7 | Very low | 118 Ų | 118 | 120 Ų | 120 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | trans | -57.9 | 94.3 | 165.6 | -80.4 | 158.1 | 0 | 0 | 0 | 106.4 | I689 Y693 | I689-L691 HydrophobicContact CB-CG 4.36Å; I689-L691 HydrophobicContact CG2-CB 4.5Å; I689-L691 HydrophobicContact CG2-CD1 4.4Å; I689-L691 HydrophobicContact CG2-CD2 3.97Å; I689-L691 HydrophobicContact CG2-CG 3.58Å; I689-L691 PolarHBondContact O-N 3.44Å; L691-Y693 PolarHBondContact O-N 3.26Å | ||
| 692 | K | 26.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 119.2 Ų | 119.2 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | trans | -64.2 | 122.5 | 155 | -81.3 | -174.1 | 174.5 | -177.2 | 0 | 105.1 | K690 D694 D695 | K690-K692 PolarHBondContact O-N 2.86Å; K692-D694 PolarHBondContact O-N 3.48Å; K692-D695 PolarHBondContact O-N 3.2Å | ||
| 693 | Y | 30 | Very low | 28.3 | Very low | 199 Ų | 199 | 124.1 Ų | 124.1 | 78% | 0.78 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -14.9 | -173.7 | -104.6 | -97.6 | 0 | 0 | 0 | 114.5 | L691 | L691-Y693 PolarHBondContact O-N 3.26Š|
| 694 | D | 32.1 | Very low | 28.7 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71 | -32.2 | -175.6 | -56.8 | -33.9 | 0 | 0 | 0 | 113.5 | K692 L696 S697 | K692-D694 PolarHBondContact O-N 3.48Å; D694-L696 VanDerWaalsContact C-N 3.33Å; D694-L696 PolarHBondContact O-N 3.42Å; D694-S697 PolarHBondContact O-N 2.85Å |
| 695 | D | 31.6 | Very low | 29.1 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.3 | -25.5 | -178.5 | -72 | -27.8 | 0 | 0 | 0 | 112.8 | K692 A699 | K692-D695 PolarHBondContact O-N 3.2Å; D695-A699 PolarHBondContact O-N 2.7Å |
| 696 | L | 30.8 | Very low | 29.2 | Very low | 99 Ų | 99 | 134 Ų | 134 | 52% | 0.518 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73.4 | -30.9 | 177.6 | -159.2 | 74.4 | 0 | 0 | 0 | 111.7 | D694 I700 | D694-L696 VanDerWaalsContact C-N 3.33Å; D694-L696 PolarHBondContact O-N 3.42Å; L696-I700 HydrophobicContact CD2-CD1 4.4Å; L696-I700 HydrophobicContact CG-CD1 4.08Å; L696-I700 WeakPolarHBondContact O-CD1 3.37Å; L696-I700 VanDerWaalsContact O-CG1 3.25Å; L696-I700 WeakPolarHBondContact O-CG1 3.45Å; L696-I700 PolarHBondContact O-N 3.38Å; L696-I700 VanDerWaalsContact O-N 3.12Å |
| 697 | S | 30.9 | Very low | 29.3 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 48% | 0.483 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.9 | -39.7 | 178.1 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | D694 I700 Q701 | D694-S697 PolarHBondContact O-N 2.85Å; S697-I700 PolarHBondContact O-N 3.17Å; S697-Q701 WeakPolarHBondContact O-CB 3.34Å; S697-Q701 PolarHBondContact O-N 3.45Å |
| 698 | F | 31.4 | Very low | 29.7 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 66% | 0.662 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.2 | -36.5 | 179.4 | -131 | -84.7 | 0 | 0 | 0 | 112.3 | Q701 S702 | F698-Q701 PolarHBondContact O-N 3.03Å; F698-S702 PolarHBondContact O-N 3.12Å; F698-S702 PolarHBondContact O-OG 2.92Å |
| 699 | A | 31.2 | Very low | 29.9 | Very low | 58 Ų | 58 | 142.1 Ų | 142.1 | 48% | 0.479 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -66.6 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D695 F703 | D695-A699 PolarHBondContact O-N 2.7Å; A699-F703 PolarHBondContact O-N 3.43Å |
| 700 | I | 33.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 52% | 0.523 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -71.2 | -35.8 | 177.8 | -66.8 | 168.8 | 0 | 0 | 0 | 111.4 | L696 S697 F703 K704 | L696-I700 HydrophobicContact CD2-CD1 4.4Å; L696-I700 HydrophobicContact CG-CD1 4.08Å; L696-I700 WeakPolarHBondContact O-CD1 3.37Å; L696-I700 VanDerWaalsContact O-CG1 3.25Å; L696-I700 WeakPolarHBondContact O-CG1 3.45Å; L696-I700 PolarHBondContact O-N 3.38Å; L696-I700 VanDerWaalsContact O-N 3.12Å; S697-I700 PolarHBondContact O-N 3.17Å; I700-F703 PolarHBondContact O-N 3.42Å; I700-K704 PolarHBondContact O-N 3.3Å |
| 701 | Q | 32.3 | Very low | 30 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 59% | 0.589 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.8 | -40.2 | 177.6 | -113.7 | 170.1 | -12.5 | 0 | 0 | 112.5 | S697 F698 F703 K704 | S697-Q701 WeakPolarHBondContact O-CB 3.34Å; S697-Q701 PolarHBondContact O-N 3.45Å; F698-Q701 PolarHBondContact O-N 3.03Å; Q701-F703 VanDerWaalsContact C-N 3.25Å; Q701-F703 PolarHBondContact O-N 3.17Å; Q701-K704 PolarHBondContact O-N 2.92Å |
| 702 | S | 33.7 | Very low | 30.2 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -62.9 | -33.1 | 174.1 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | F698 K704 I705 | F698-S702 PolarHBondContact O-N 3.12Å; F698-S702 PolarHBondContact O-OG 2.92Å; S702-K704 PolarHBondContact O-N 3.32Å; S702-I705 PolarHBondContact O-N 3.35Å |
| 703 | F | 28.9 | Very low | 30.4 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 77% | 0.772 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -75.1 | -21.6 | -179.9 | -121.9 | -86.4 | 0 | 0 | 0 | 114.6 | A699 I700 Q701 I705 | A699-F703 PolarHBondContact O-N 3.43Å; I700-F703 PolarHBondContact O-N 3.42Å; Q701-F703 VanDerWaalsContact C-N 3.25Å; Q701-F703 PolarHBondContact O-N 3.17Å; F703-I705 VanDerWaalsContact C-N 3.27Å; F703-I705 PolarHBondContact O-N 3.22Å |
| 704 | K | 34.2 | Very low | 30.4 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.9 | -20.3 | 174.5 | -91 | -176.5 | 176.6 | 177.5 | 0 | 113.3 | I700 Q701 S702 | I700-K704 PolarHBondContact O-N 3.3Å; Q701-K704 PolarHBondContact O-N 2.92Å; S702-K704 PolarHBondContact O-N 3.32Å |
| 705 | I | 35.8 | Very low | 30.3 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -85.6 | -15.6 | -175 | -62.3 | 177.4 | 0 | 0 | 0 | 112.7 | S702 F703 | S702-I705 PolarHBondContact O-N 3.35Å; F703-I705 VanDerWaalsContact C-N 3.27Å; F703-I705 PolarHBondContact O-N 3.22Å |
| 706 | H | 30.2 | Very low | 30.1 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -111.9 | 15.2 | -175.7 | -78.8 | -3.2 | 0 | 0 | 0 | 116.2 | N708 | H706-N708 PolarHBondContact O-N 3.32Š|
| 707 | R | 26 | Very low | 30 | Very low | 231 Ų | 231 | 138.3 Ų | 138.3 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 12 | 176.4 | -144.4 | 178.9 | -179 | 163.2 | 1.3 | 115.3 | ||
| 708 | N | 29.7 | Very low | 30 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 11.4 | -173.7 | -92.9 | -1.2 | 0 | 0 | 0 | 116.8 | H706 | H706-N708 PolarHBondContact O-N 3.32Š|
| 709 | Y | 27.5 | Very low | 29.8 | Very low | 227 Ų | 227 | 139.5 Ų | 139.5 | 89% | 0.89 | 70% | 0.696 | S | S | * | * | trans | -119.5 | 119.6 | 171.8 | -79.3 | -83.7 | 0 | 0 | 0 | 113.2 | ||||
| 710 | R | 23.7 | Very low | 29.9 | Very low | 236 Ų | 236 | 141.9 Ų | 141.9 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | trans | -62.1 | 151 | 177.6 | -82.5 | 173.5 | 165.3 | 173.3 | -5 | 112.2 | ||||
| 711 | S | 26.8 | Very low | 29.7 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | 62.1 | 90.3 | 150.2 | 65.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 712 | T | 28.5 | Very low | 29.6 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | -164.8 | 99.1 | 136.8 | 33.9 | 0 | 0 | 0 | 0 | 108.8 | F714 | T712-F714 PolarHBondContact O-N 2.97Š| ||
| 713 | S | 29.9 | Very low | 29.5 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 32.6 | -175.6 | 59 | 0 | 0 | 0 | 0 | 114.4 | ||
| 714 | F | 29.3 | Very low | 29.4 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 77% | 0.772 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -13.4 | -175.9 | -126.1 | -92.8 | 0 | 0 | 0 | 115 | T712 | T712-F714 PolarHBondContact O-N 2.97Š|
| 715 | E | 30 | Very low | 29 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -100 | -12.5 | -176.1 | -68.3 | -178.5 | 169.6 | 0 | 0 | 114.5 | S717 T718 | E715-S717 VanDerWaalsContact C-N 3.3Å; E715-S717 PolarHBondContact O-N 3.07Å; E715-T718 PolarHBondContact O-OG1 3.47Å; E715-T718 VanDerWaalsContact O-OG1 3.13Å |
| 716 | T | 27.4 | Very low | 28.5 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.9 | -22.4 | 172.6 | 46 | 0 | 0 | 0 | 0 | 113 | I720 | T716-I720 WeakPolarHBondContact O-CG1 3.3Å; T716-I720 PolarHBondContact O-N 3.06Å |
| 717 | S | 29 | Very low | 28.3 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 48% | 0.476 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.5 | -42.7 | 174.6 | -168.1 | 0 | 0 | 0 | 0 | 111.1 | E715 F719 I720 D721 | E715-S717 VanDerWaalsContact C-N 3.3Å; E715-S717 PolarHBondContact O-N 3.07Å; S717-F719 PolarHBondContact O-N 3.37Å; S717-I720 PolarHBondContact O-N 2.94Å; S717-D721 WeakPolarHBondContact O-CB 3.24Å; S717-D721 PolarHBondContact O-N 2.89Å; S717-D721 PolarHBondContact OG-OD2 3.47Å |
| 718 | T | 30.4 | Very low | 28.2 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 57% | 0.571 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.1 | -29.9 | -174.7 | 25.1 | 0 | 0 | 0 | 0 | 113.4 | E715 A722 | E715-T718 PolarHBondContact O-OG1 3.47Å; E715-T718 VanDerWaalsContact O-OG1 3.13Å; T718-A722 WeakPolarHBondContact O-CB 3.39Å; T718-A722 PolarHBondContact O-N 3.31Å |
| 719 | F | 27.9 | Very low | 28.1 | Very low | 153 Ų | 153 | 120.9 Ų | 120.9 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.7 | -33.8 | 175.2 | -154.9 | -92.3 | 0 | 0 | 0 | 113.1 | S717 D721 A722 T723 | S717-F719 PolarHBondContact O-N 3.37Å; F719-D721 VanDerWaalsContact C-N 3.27Å; F719-D721 PolarHBondContact O-N 3.42Å; F719-A722 PolarHBondContact O-N 3.43Å; F719-T723 PolarHBondContact O-N 2.95Å; F719-T723 PolarHBondContact O-OG1 3.21Å |
| 720 | I | 32.6 | Very low | 28 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 55% | 0.554 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.7 | -40 | 169.4 | -67.4 | 173.9 | 0 | 0 | 0 | 109.1 | T716 S717 T723 R724 | T716-I720 WeakPolarHBondContact O-CG1 3.3Å; T716-I720 PolarHBondContact O-N 3.06Å; S717-I720 PolarHBondContact O-N 2.94Å; I720-T723 PolarHBondContact O-N 3.49Å; I720-R724 WeakPolarHBondContact O-CB 3.42Å; I720-R724 PolarHBondContact O-N 3.14Å |
| 721 | D | 29.7 | Very low | 28 | Very low | 74 Ų | 74 | 109.6 Ų | 109.6 | 40% | 0.396 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.8 | -35.9 | 174.4 | -72.1 | -30.2 | 0 | 0 | 0 | 112.4 | S717 F719 T723 R724 H725 | S717-D721 WeakPolarHBondContact O-CB 3.24Å; S717-D721 PolarHBondContact O-N 2.89Å; S717-D721 PolarHBondContact OG-OD2 3.47Å; F719-D721 VanDerWaalsContact C-N 3.27Å; F719-D721 PolarHBondContact O-N 3.42Å; D721-T723 VanDerWaalsContact C-N 3.32Å; D721-T723 PolarHBondContact O-N 3.49Å; D721-R724 PolarHBondContact O-N 3.38Å; D721-H725 WeakPolarHBondContact O-CA 3.16Å; D721-H725 WeakPolarHBondContact O-CB 3.36Å; D721-H725 PolarHBondContact O-N 2.9Å |
| 722 | A | 30.7 | Very low | 27.8 | Very low | 58 Ų | 58 | 109.9 Ų | 109.9 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T718 F719 G726 | T718-A722 WeakPolarHBondContact O-CB 3.39Å; T718-A722 PolarHBondContact O-N 3.31Å; F719-A722 PolarHBondContact O-N 3.43Å; A722-G726 WeakPolarHBondContact O-CA 3.27Å; A722-G726 PolarHBondContact O-N 3.29Å |
| 723 | T | 30.6 | Very low | 27.8 | Very low | 78 Ų | 78 | 109.6 Ų | 109.6 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75 | -36.1 | 175.9 | -36.7 | 0 | 0 | 0 | 0 | 111 | F719 I720 D721 G726 F727 | F719-T723 PolarHBondContact O-N 2.95Å; F719-T723 PolarHBondContact O-OG1 3.21Å; I720-T723 PolarHBondContact O-N 3.49Å; D721-T723 VanDerWaalsContact C-N 3.32Å; D721-T723 PolarHBondContact O-N 3.49Å; T723-G726 PolarHBondContact O-N 3.38Å; T723-F727 VanDerWaalsContact O-CB 3.28Å; T723-F727 WeakPolarHBondContact O-CB 3.42Å; T723-F727 PolarHBondContact O-N 3.25Å |
| 724 | R | 27.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 110.4 Ų | 110.4 | 60% | 0.604 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -78 | -35.3 | 179.4 | -156.9 | 178 | -162.8 | 172.6 | 3.7 | 112.5 | I720 D721 F727 L728 | I720-R724 WeakPolarHBondContact O-CB 3.42Å; I720-R724 PolarHBondContact O-N 3.14Å; D721-R724 PolarHBondContact O-N 3.38Å; R724-F727 PolarHBondContact O-N 3.12Å; R724-L728 HydrophobicContact CG-CD1 4.02Å; R724-L728 WeakPolarHBondContact O-CB 3.25Å; R724-L728 VanDerWaalsContact O-CG 3.27Å; R724-L728 WeakPolarHBondContact O-CG 3.27Å; R724-L728 PolarHBondContact O-N 3.04Å |
| 725 | H | 25.5 | Very low | 27.7 | Very low | 117 Ų | 117 | 106.4 Ų | 106.4 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.9 | -35.6 | 167.9 | -112.1 | -79 | 0 | 0 | 0 | 110.9 | D721 F727 L729 | D721-H725 WeakPolarHBondContact O-CA 3.16Å; D721-H725 WeakPolarHBondContact O-CB 3.36Å; D721-H725 PolarHBondContact O-N 2.9Å; H725-F727 VanDerWaalsContact C-N 3.29Å; H725-F727 PolarHBondContact O-N 2.74Å; H725-L729 HydrophobicContact CB-CD1 4.35Å; H725-L729 VanDerWaalsContact ND1-CD1 3.3Å; H725-L729 WeakPolarHBondContact ND1-CD1 3.44Å; H725-L729 WeakPolarHBondContact O-CB 3.26Å; H725-L729 VanDerWaalsContact O-CG 3.31Å; H725-L729 WeakPolarHBondContact O-CG 3.19Å; H725-L729 PolarHBondContact O-N 3.05Å |
| 726 | G | 25.5 | Very low | 28 | Very low | 39 Ų | 39 | 102.3 Ų | 102.3 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A722 T723 K730 | A722-G726 WeakPolarHBondContact O-CA 3.27Å; A722-G726 PolarHBondContact O-N 3.29Å; T723-G726 PolarHBondContact O-N 3.38Å; G726-K730 WeakPolarHBondContact O-CB 3.3Å; G726-K730 WeakPolarHBondContact O-CG 3.49Å; G726-K730 PolarHBondContact O-N 2.82Å |
| 727 | F | 25.2 | Very low | 28.7 | Very low | 142 Ų | 142 | 101.7 Ų | 101.7 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -82 | -33.8 | 178.9 | -144.6 | -96.4 | 0 | 0 | 0 | 113.3 | T723 R724 H725 N731 | T723-F727 VanDerWaalsContact O-CB 3.28Å; T723-F727 WeakPolarHBondContact O-CB 3.42Å; T723-F727 PolarHBondContact O-N 3.25Å; R724-F727 PolarHBondContact O-N 3.12Å; H725-F727 VanDerWaalsContact C-N 3.29Å; H725-F727 PolarHBondContact O-N 2.74Å; F727-N731 PolarHBondContact O-N 2.92Å |
| 728 | L | 25.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -86.5 | -23.5 | 178.7 | -71.5 | 171.6 | 0 | 0 | 0 | 113.7 | R724 | R724-L728 HydrophobicContact CG-CD1 4.02Å; R724-L728 WeakPolarHBondContact O-CB 3.25Å; R724-L728 VanDerWaalsContact O-CG 3.27Å; R724-L728 WeakPolarHBondContact O-CG 3.27Å; R724-L728 PolarHBondContact O-N 3.04Å |
| 729 | L | 26.1 | Very low | 31.9 | Very low | 94 Ų | 94 | 97.9 Ų | 97.9 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -80.6 | -28.4 | 169 | -71.6 | 165.4 | 0 | 0 | 0 | 111.9 | H725 R732 | H725-L729 HydrophobicContact CB-CD1 4.35Å; H725-L729 VanDerWaalsContact ND1-CD1 3.3Å; H725-L729 WeakPolarHBondContact ND1-CD1 3.44Å; H725-L729 WeakPolarHBondContact O-CB 3.26Å; H725-L729 VanDerWaalsContact O-CG 3.31Å; H725-L729 WeakPolarHBondContact O-CG 3.19Å; H725-L729 PolarHBondContact O-N 3.05Å; L729-R732 WeakPolarHBondContact O-CB 3.41Å; L729-R732 PolarHBondContact O-N 3.34Å |
| 730 | K | 26.4 | Very low | 34.3 | Very low | 127 Ų | 127 | 90.7 Ų | 90.7 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -77.7 | -33.1 | 175.2 | -81.5 | -166.3 | 173.2 | -160.7 | 0 | 114 | T685 G726 R732 | T685-K730 PolarHBondContact O-NZ 2.73Å; G726-K730 WeakPolarHBondContact O-CB 3.3Å; G726-K730 WeakPolarHBondContact O-CG 3.49Å; G726-K730 PolarHBondContact O-N 2.82Å; K730-R732 PolarHBondContact O-N 2.87Å |
| 731 | N | 24 | Very low | 36.6 | Very low | 100 Ų | 100 | 90.7 Ų | 90.7 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 15.7 | 171 | -69.7 | -14.4 | 0 | 0 | 0 | 113 | F727 D733 | F727-N731 PolarHBondContact O-N 2.92Å; N731-D733 PolarHBondContact O-N 3.15Å |
| 732 | R | 22.4 | Very low | 39.1 | Very low | 113 Ų | 113 | 87.9 Ų | 87.9 | 43% | 0.426 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -76.2 | 46.2 | 160.2 | -151.3 | 178.8 | -173.7 | 175.4 | 0.7 | 108 | S366 L729 K730 H734 | S366-R732 PolarHBondContact OG-NH2 2.71Å; L729-R732 WeakPolarHBondContact O-CB 3.41Å; L729-R732 PolarHBondContact O-N 3.34Å; K730-R732 PolarHBondContact O-N 2.87Å; R732-H734 VanDerWaalsContact C-N 3.27Å; R732-H734 PolarHBondContact O-N 3.11Å; R732-H734 PolarHBondContact O-ND1 3.3Å |
| 733 | D | 27.9 | Very low | 41.8 | Very low | 115 Ų | 115 | 85.1 Ų | 85.1 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | trans | -59.9 | 91.1 | 176.5 | -64.5 | -43.7 | 0 | 0 | 0 | 105.3 | N731 C735 | N731-D733 PolarHBondContact O-N 3.15Å; D733-C735 PolarHBondContact O-N 2.72Å; D733-C735 VanDerWaalsContact O-N 3.1Å | ||
| 734 | H | 27.3 | Very low | 44.6 | Very low | 131 Ų | 131 | 81.4 Ų | 81.4 | 61% | 0.606 | 40% | 0.4 | S | S | * | . | 43.8 | 56.3 | 89.9 | -66.8 | 43.6 | 0 | 0 | 0 | 109.8 | R732 Q736 | R732-H734 VanDerWaalsContact C-N 3.27Å; R732-H734 PolarHBondContact O-N 3.11Å; R732-H734 PolarHBondContact O-ND1 3.3Å; H734-Q736 HydrophobicContact CB-CB 4.46Å; H734-Q736 HydrophobicContact CB-CG 4.39Å; H734-Q736 PolarHBondContact CD2-OE1 3.08Å; H734-Q736 PolarHBondContact O-N 2.77Å | |||
| 735 | C | 30.5 | Very low | 47.5 | Very low | 92 Ų | 92 | 74.5 Ų | 74.5 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | trans | -60.6 | 54.4 | 131.5 | -75.8 | 0 | 0 | 0 | 0 | 108.9 | D733 K737 | D733-C735 PolarHBondContact O-N 2.72Å; D733-C735 VanDerWaalsContact O-N 3.1Å; C735-K737 VanDerWaalsContact C-N 3.3Å; C735-K737 PolarHBondContact O-N 2.73Å | ||
| 736 | Q | 35 | Very low | 50.7 | Low | 65 Ų | 65 | 68.9 Ų | 68.9 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | trans | -59.8 | 108.9 | 151.3 | -92.5 | 179.8 | -39.4 | 0 | 0 | 102.7 | H734 D738 | H734-Q736 HydrophobicContact CB-CB 4.46Å; H734-Q736 HydrophobicContact CB-CG 4.39Å; H734-Q736 PolarHBondContact CD2-OE1 3.08Å; H734-Q736 PolarHBondContact O-N 2.77Å; Q736-D738 PolarHBondContact O-N 3.29Å | ||
| 737 | K | 43.5 | Very low | 53.9 | Low | 93 Ų | 93 | 67.1 Ų | 67.1 | 40% | 0.404 | 33% | 0.331 | S | S | . | . | trans | -49.9 | 115.4 | 176.2 | -74 | -179 | 162.3 | -154.8 | 0 | 107.1 | W643 C735 S739 | W643-K737 HydrophobicContact CZ2-CD 4.38Å; W643-K737 VanDerWaalsContact CZ2-NZ 3.25Å; C735-K737 VanDerWaalsContact C-N 3.3Å; C735-K737 PolarHBondContact O-N 2.73Å; K737-S739 VanDerWaalsContact C-N 3.25Å; K737-S739 PolarHBondContact O-N 3.1Å | ||
| 738 | D | 58.2 | Low | 57.1 | Low | 69 Ų | 69 | 60.4 Ų | 60.4 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | trans | -68.5 | 88.3 | 178.7 | -170.5 | 2.9 | 0 | 0 | 0 | 108.1 | Q736 S740 R808 | Q736-D738 PolarHBondContact O-N 3.29Å; D738-S740 PolarHBondContact O-N 3.22Å; D738-S740 WeakPolarHBondContact OD1-CB 3.43Å; D738-S740 PolarHBondContact OD1-N 3.08Å; D738-S740 PolarHBondContact OD1-OG 3.32Å; D738-R808 IonicContact OD1-CZ 3.23Å; D738-R808 IonicContact OD1-NH1 2.73Å | ||
| 739 | S | 67.5 | Low | 60.2 | Low | 11 Ų | 11 | 55.9 Ų | 55.9 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 11.9 | -179.3 | 66 | 0 | 0 | 0 | 0 | 112.8 | H642 F674 K737 A742 L743 | H642-S739 PolarHBondContact CE1-OG 3.19Å; H642-S739 WeakPolarHBondContact ND1-CB 3.31Å; H642-S739 PolarHBondContact ND1-OG 3.48Å; F674-S739 WeakPolarHBondContact CE1-OG 3.35Å; F674-S739 WeakPolarHBondContact CZ-OG 3.33Å; K737-S739 VanDerWaalsContact C-N 3.25Å; K737-S739 PolarHBondContact O-N 3.1Å; S739-A742 PolarHBondContact O-N 2.94Å; S739-L743 WeakPolarHBondContact O-CB 3.31Å; S739-L743 PolarHBondContact O-N 3.19Å |
| 740 | S | 78.8 | Confident | 63.4 | Low | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.3 | -32.8 | -173.5 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | D738 L743 C744 R808 L820 | D738-S740 PolarHBondContact O-N 3.22Å; D738-S740 WeakPolarHBondContact OD1-CB 3.43Å; D738-S740 PolarHBondContact OD1-N 3.08Å; D738-S740 PolarHBondContact OD1-OG 3.32Å; S740-L743 PolarHBondContact O-N 3.23Å; S740-C744 VanDerWaalsContact O-CB 3.26Å; S740-C744 WeakPolarHBondContact O-CB 3.3Å; S740-C744 PolarHBondContact O-N 3.25Å; S740-C744 PolarHBondContact O-SG 2.9Å; S740-C744 VanDerWaalsContact O-SG 3.41Å; S740-R808 PolarHBondContact OG-NH1 3.37Å; S740-R808 PolarHBondContact OG-NH2 2.87Å; S740-L820 WeakPolarHBondContact O-CD1 3.3Å |
| 741 | F | 80.4 | Confident | 66.6 | Low | 108 Ų | 108 | 45.4 Ų | 45.4 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.2 | -50.9 | 169.1 | -166.2 | -89 | 0 | 0 | 0 | 110.3 | L743 C744 S745 L820 L823 | F741-L743 PolarHBondContact O-N 3.47Å; F741-C744 CarbonylContact O-C 3.58Å; F741-C744 PolarHBondContact O-N 3.29Å; F741-S745 WeakPolarHBondContact O-CB 3.39Å; F741-S745 PolarHBondContact O-N 2.9Å; F741-S745 PolarHBondContact O-OG 3.26Å; F741-L820 HydrophobicContact CD2-CB 4.17Å; F741-L823 HydrophobicContact CE2-CD2 4.34Å; F741-L823 HydrophobicContact CZ-CD2 4.43Å |
| 742 | A | 82.5 | Confident | 69.8 | Low | 14 Ų | 14 | 42 Ų | 42 | 12% | 0.116 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V645 E646 A649 S739 S745 V746 | V645-A742 HydrophobicContact CG1-CB 4.08Å; E646-A742 HydrophobicContact CB-CB 4.44Å; A649-A742 HydrophobicContact CB-CB 4.1Å; S739-A742 PolarHBondContact O-N 2.94Å; A742-S745 WeakPolarHBondContact O-CB 3.4Å; A742-S745 PolarHBondContact O-N 3.25Å; A742-V746 WeakPolarHBondContact O-CG2 2.97Å; A742-V746 PolarHBondContact O-N 3.04Å |
| 743 | L | 87.6 | Confident | 73 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 176.3 | -177.6 | 62.7 | 0 | 0 | 0 | 111.5 | V645 L671 F674 A675 S739 S740 F741 S745 V746 L747 L805 | V645-L743 HydrophobicContact CG1-CB 3.85Å; V645-L743 HydrophobicContact CG1-CD1 4.15Å; L671-L743 HydrophobicContact CB-CD1 4.39Å; L671-L743 HydrophobicContact CD2-CD1 4.16Å; F674-L743 HydrophobicContact CD1-CD1 4.36Å; F674-L743 HydrophobicContact CD1-CD2 4.03Å; A675-L743 HydrophobicContact CB-CD2 3.76Å; S739-L743 WeakPolarHBondContact O-CB 3.31Å; S739-L743 PolarHBondContact O-N 3.19Å; S740-L743 PolarHBondContact O-N 3.23Å; F741-L743 PolarHBondContact O-N 3.47Å; L743-S745 VanDerWaalsContact C-N 3.29Å; L743-S745 PolarHBondContact O-N 3.37Å; L743-V746 WeakPolarHBondContact O-CB 3.42Å; L743-V746 PolarHBondContact O-N 3.35Å; L743-L747 HydrophobicContact CG-CD1 4.35Å; L743-L747 WeakPolarHBondContact O-CG 3.46Å; L743-L747 PolarHBondContact O-N 3.1Å; L743-L805 HydrophobicContact CD2-CD1 4.36Å; L743-L805 HydrophobicContact CD2-CD2 4.39Å |
| 744 | C | 89.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -33.4 | 176 | -76.9 | 0 | 0 | 0 | 0 | 111.9 | S740 F741 L747 A748 L820 L823 I827 | S740-C744 VanDerWaalsContact O-CB 3.26Å; S740-C744 WeakPolarHBondContact O-CB 3.3Å; S740-C744 PolarHBondContact O-N 3.25Å; S740-C744 PolarHBondContact O-SG 2.9Å; S740-C744 VanDerWaalsContact O-SG 3.41Å; F741-C744 CarbonylContact O-C 3.58Å; F741-C744 PolarHBondContact O-N 3.29Å; C744-L747 PolarHBondContact O-N 3.05Å; C744-A748 WeakPolarHBondContact O-CB 3.47Å; C744-A748 PolarHBondContact O-N 3.16Å; C744-L820 HydrophobicContact CB-CD1 3.74Å; C744-L820 VanDerWaalsContact SG-CD1 3.51Å; C744-L823 HydrophobicContact CB-CD2 3.62Å; C744-L823 HydrophobicContact CB-CG 4.04Å; C744-I827 HydrophobicContact CB-CD1 4.44Å |
| 745 | S | 89 | Confident | 78.1 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 173.3 | -61.9 | 0 | 0 | 0 | 0 | 111 | F741 A742 L743 L747 A748 H749 | F741-S745 WeakPolarHBondContact O-CB 3.39Å; F741-S745 PolarHBondContact O-N 2.9Å; F741-S745 PolarHBondContact O-OG 3.26Å; A742-S745 WeakPolarHBondContact O-CB 3.4Å; A742-S745 PolarHBondContact O-N 3.25Å; L743-S745 VanDerWaalsContact C-N 3.29Å; L743-S745 PolarHBondContact O-N 3.37Å; S745-L747 PolarHBondContact O-N 3.32Å; S745-A748 PolarHBondContact O-N 3Å; S745-H749 VanDerWaalsContact O-CG 3.29Å; S745-H749 PolarHBondContact O-N 3.06Å; S745-H749 PolarHBondContact O-ND1 2.84Å |
| 746 | V | 91.9 | Very high | 80 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.1 | -52.2 | 172 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | M648 A649 T652 L671 A742 L743 A748 H749 L750 | M648-V746 HydrophobicContact CB-CG2 3.78Å; A649-V746 HydrophobicContact CB-CG2 4.04Å; T652-V746 HydrophobicContact CG2-CG1 4.14Å; T652-V746 HydrophobicContact CG2-CG2 4.39Å; L671-V746 HydrophobicContact CD1-CG1 4.05Å; A742-V746 WeakPolarHBondContact O-CG2 2.97Å; A742-V746 PolarHBondContact O-N 3.04Å; L743-V746 WeakPolarHBondContact O-CB 3.42Å; L743-V746 PolarHBondContact O-N 3.35Å; V746-A748 VanDerWaalsContact C-N 3.33Å; V746-A748 PolarHBondContact O-N 3.41Å; V746-H749 PolarHBondContact O-N 3.27Å; V746-L750 HydrophobicContact CG1-CD1 3.88Å; V746-L750 HydrophobicContact CG1-CG 4.32Å; V746-L750 VanDerWaalsContact O-CG 3.27Å; V746-L750 WeakPolarHBondContact O-CG 3.37Å; V746-L750 PolarHBondContact O-N 3.3Å |
| 747 | L | 93.1 | Very high | 81.5 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | -179.2 | -66 | 177 | 0 | 0 | 0 | 112.3 | L672 L743 C744 S745 L750 T751 L798 I827 | L672-L747 HydrophobicContact CD2-CD2 4.13Å; L743-L747 HydrophobicContact CG-CD1 4.35Å; L743-L747 WeakPolarHBondContact O-CG 3.46Å; L743-L747 PolarHBondContact O-N 3.1Å; C744-L747 PolarHBondContact O-N 3.05Å; S745-L747 PolarHBondContact O-N 3.32Å; L747-L750 PolarHBondContact O-N 3.2Å; L747-T751 WeakPolarHBondContact O-CB 3.29Å; L747-T751 WeakPolarHBondContact O-CG2 3.26Å; L747-T751 PolarHBondContact O-N 3.26Å; L747-T751 PolarHBondContact O-OG1 3.08Å; L747-L798 HydrophobicContact CD1-CD1 3.85Å; L747-L798 HydrophobicContact CD2-CD1 3.88Å; L747-L798 HydrophobicContact CG-CD1 4.31Å; L747-I827 HydrophobicContact CB-CD1 3.92Å |
| 748 | A | 92.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C744 S745 V746 T751 N752 S753 F754 L823 I827 | C744-A748 WeakPolarHBondContact O-CB 3.47Å; C744-A748 PolarHBondContact O-N 3.16Å; S745-A748 PolarHBondContact O-N 3Å; V746-A748 VanDerWaalsContact C-N 3.33Å; V746-A748 PolarHBondContact O-N 3.41Å; A748-T751 WeakPolarHBondContact CA-OG1 3.5Å; A748-T751 PolarHBondContact O-OG1 2.84Å; A748-N752 WeakPolarHBondContact O-CA 3.39Å; A748-N752 PolarHBondContact O-N 3.18Å; A748-S753 PolarHBondContact O-N 2.71Å; A748-F754 HydrophobicContact CB-CD2 4.04Å; A748-F754 HydrophobicContact CB-CE2 3.43Å; A748-F754 VanDerWaalsContact CB-CE2 3.43Å; A748-F754 HydrophobicContact CB-CZ 3.86Å; A748-L823 HydrophobicContact CB-CD1 3.44Å; A748-L823 VanDerWaalsContact CB-CD1 3.44Å; A748-L823 HydrophobicContact CB-CG 4.03Å; A748-I827 HydrophobicContact CB-CD1 4.11Å; A748-I827 HydrophobicContact CB-CG1 3.93Å |
| 749 | H | 91.1 | Very high | 83.1 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 10% | 0.102 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 171.2 | -66.8 | 143.9 | 0 | 0 | 0 | 111.7 | A649 T652 S745 V746 T751 N752 F754 | A649-H749 PolarHBondContact O-CE1 3.25Å; A649-H749 PolarHBondContact O-ND1 2.96Å; T652-H749 WeakPolarHBondContact O-CB 3.34Å; T652-H749 PolarHBondContact OG1-ND1 3.24Å; S745-H749 VanDerWaalsContact O-CG 3.29Å; S745-H749 PolarHBondContact O-N 3.06Å; S745-H749 PolarHBondContact O-ND1 2.84Å; V746-H749 PolarHBondContact O-N 3.27Å; H749-T751 PolarHBondContact O-N 2.72Å; H749-N752 PolarHBondContact O-N 3.24Å; H749-N752 VanDerWaalsContact O-N 3.09Å; H749-N752 PolarHBondContact O-OD1 3.2Å; H749-F754 AromaticContact CD2-CD2 3.44Å; H749-F754 VanDerWaalsContact CD2-CD2 3.44Å; H749-F754 WeakPolarHBondContact CD2-CD2 3.32Å; H749-F754 AromaticContact CD2-CE2 3.17Å; H749-F754 WeakPolarHBondContact CD2-CE2 3.36Å; H749-F754 AromaticContact CG-CE2 3.95Å; H749-F754 AromaticContact NE2-CD2 3.82Å; H749-F754 AromaticContact NE2-CE2 3.29Å; H749-F754 VanDerWaalsContact NE2-CE2 3.29Å; H749-F754 WeakPolarHBondContact NE2-CE2 3.36Å; H749-F754 AromaticContact NE2-CZ 3.95Å |
| 750 | L | 93.4 | Very high | 83.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -31.1 | -179.7 | -68.3 | 176.1 | 0 | 0 | 0 | 113 | K658 I661 I662 V746 L747 R789 L793 | K658-L750 HydrophobicContact CB-CD2 4.09Å; K658-L750 HydrophobicContact CG-CD2 4.36Å; I661-L750 HydrophobicContact CB-CD2 4.02Å; I661-L750 HydrophobicContact CD1-CD2 4.11Å; I661-L750 HydrophobicContact CG2-CD1 3.89Å; I661-L750 HydrophobicContact CG2-CD2 3.92Å; I662-L750 HydrophobicContact CD1-CD2 4.42Å; I662-L750 HydrophobicContact CG1-CD2 4.26Å; V746-L750 HydrophobicContact CG1-CD1 3.88Å; V746-L750 HydrophobicContact CG1-CG 4.32Å; V746-L750 VanDerWaalsContact O-CG 3.27Å; V746-L750 WeakPolarHBondContact O-CG 3.37Å; V746-L750 PolarHBondContact O-N 3.3Å; L747-L750 PolarHBondContact O-N 3.2Å; L750-R789 PolarHBondContact O-NH1 2.89Å; L750-L793 HydrophobicContact CB-CD1 3.9Å; L750-L793 HydrophobicContact CD1-CD2 4.46Å |
| 751 | T | 92.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -1.8 | 176.7 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | L747 A748 H749 S753 R790 L793 L798 I827 | L747-T751 WeakPolarHBondContact O-CB 3.29Å; L747-T751 WeakPolarHBondContact O-CG2 3.26Å; L747-T751 PolarHBondContact O-N 3.26Å; L747-T751 PolarHBondContact O-OG1 3.08Å; A748-T751 WeakPolarHBondContact CA-OG1 3.5Å; A748-T751 PolarHBondContact O-OG1 2.84Å; H749-T751 PolarHBondContact O-N 2.72Å; T751-S753 VanDerWaalsContact C-N 3.32Å; T751-S753 WeakPolarHBondContact CB-OG 3.48Å; T751-S753 PolarHBondContact O-N 2.92Å; T751-S753 PolarHBondContact OG1-OG 3.3Å; T751-R790 HydrophobicContact CG2-CG 4.31Å; T751-R790 PolarHBondContact O-NE 2.91Å; T751-R790 PolarHBondContact O-NH2 3.33Å; T751-R790 VanDerWaalsContact O-NH2 3.09Å; T751-L793 HydrophobicContact CG2-CD1 3.63Å; T751-L798 HydrophobicContact CG2-CD2 3.91Å; T751-I827 HydrophobicContact CG2-CG2 4.33Å |
| 752 | N | 91.6 | Very high | 83.4 | Confident | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 55.6 | -171.6 | -69.2 | 36 | 0 | 0 | 0 | 111.8 | A748 H749 D781 I786 R789 R790 | A748-N752 WeakPolarHBondContact O-CA 3.39Å; A748-N752 PolarHBondContact O-N 3.18Å; H749-N752 PolarHBondContact O-N 3.24Å; H749-N752 VanDerWaalsContact O-N 3.09Å; H749-N752 PolarHBondContact O-OD1 3.2Å; N752-D781 VanDerWaalsContact ND2-CG 3.34Å; N752-D781 PolarHBondContact ND2-OD1 3.34Å; N752-D781 PolarHBondContact OD1-OD1 3.05Å; N752-I786 HydrophobicContact CB-CD1 3.91Å; N752-I786 HydrophobicContact CB-CG1 4.17Å; N752-I786 HydrophobicContact CB-CG2 4.24Å; N752-I786 VanDerWaalsContact ND2-CD1 3.28Å; N752-I786 WeakPolarHBondContact ND2-CD1 3.49Å; N752-R789 PolarHBondContact OD1-NH1 2.89Å; N752-R789 PolarHBondContact OD1-NH2 3.17Å; N752-R790 PolarHBondContact O-NH2 3.07Å |
| 753 | S | 90.3 | Very high | 83 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | trans | -92.6 | -10.9 | -177.2 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | A748 T751 I827 A830 | A748-S753 PolarHBondContact O-N 2.71Å; T751-S753 VanDerWaalsContact C-N 3.32Å; T751-S753 WeakPolarHBondContact CB-OG 3.48Å; T751-S753 PolarHBondContact O-N 2.92Å; T751-S753 PolarHBondContact OG1-OG 3.3Å; S753-I827 WeakPolarHBondContact OG-CA 3.38Å; S753-A830 WeakPolarHBondContact OG-CB 3.24Å | ||
| 754 | F | 85.5 | Confident | 82.4 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -70.1 | 148.2 | 171.2 | -68 | -78.5 | 0 | 0 | 0 | 109.9 | A748 H749 R756 L823 | A748-F754 HydrophobicContact CB-CD2 4.04Å; A748-F754 HydrophobicContact CB-CE2 3.43Å; A748-F754 VanDerWaalsContact CB-CE2 3.43Å; A748-F754 HydrophobicContact CB-CZ 3.86Å; H749-F754 AromaticContact CD2-CD2 3.44Å; H749-F754 VanDerWaalsContact CD2-CD2 3.44Å; H749-F754 WeakPolarHBondContact CD2-CD2 3.32Å; H749-F754 AromaticContact CD2-CE2 3.17Å; H749-F754 WeakPolarHBondContact CD2-CE2 3.36Å; H749-F754 AromaticContact CG-CE2 3.95Å; H749-F754 AromaticContact NE2-CD2 3.82Å; H749-F754 AromaticContact NE2-CE2 3.29Å; H749-F754 VanDerWaalsContact NE2-CE2 3.29Å; H749-F754 WeakPolarHBondContact NE2-CE2 3.36Å; H749-F754 AromaticContact NE2-CZ 3.95Å; F754-R756 PolarHBondContact O-N 3.14Å; F754-L823 HydrophobicContact CE1-CD1 3.68Å; F754-L823 HydrophobicContact CE2-CD1 4.37Å; F754-L823 HydrophobicContact CZ-CD1 3.6Å |
| 755 | E | 76 | Confident | 81.9 | Confident | 152 Ų | 152 | 72.6 Ų | 72.6 | 71% | 0.71 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 125.7 | -179.3 | -171.7 | 164.7 | -171.6 | 0 | 0 | 109.9 | Q757 R826 | E755-Q757 PolarHBondContact O-N 3.11Å; E755-R826 IonicContact OE2-NH1 2.96Å; E755-R826 IonicContact OE2-NH2 3.46Å |
| 756 | R | 71.3 | Confident | 81.4 | Confident | 128 Ų | 128 | 77.3 Ų | 77.3 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 118.3 | 171.8 | -71.3 | -179.3 | 173.2 | 159.5 | -6.8 | 107.3 | F754 Q758 D781 D783 | F754-R756 PolarHBondContact O-N 3.14Å; R756-Q758 PolarHBondContact O-N 3.45Å; R756-D781 PolarHBondContact NH2-O 2.55Å; R756-D783 IonicContact CZ-OD1 2.9Å; R756-D783 IonicContact NH1-OD1 3.36Å; R756-D783 PolarHBondContact NH1-OD1 3.04Å; R756-D783 IonicContact NH2-OD1 2.97Å; R756-D783 PolarHBondContact NH2-OD1 2.74Å |
| 757 | Q | 66.5 | Low | 80.7 | Confident | 185 Ų | 185 | 78.1 Ų | 78.1 | 86% | 0.864 | 38% | 0.38 | S | S | * | . | trans | -68.2 | 103.4 | 169.9 | -71.3 | -179.3 | -14.8 | 0 | 0 | 107.8 | E755 I759 | E755-Q757 PolarHBondContact O-N 3.11Å; Q757-I759 PolarHBondContact O-N 3.18Å | ||
| 758 | Q | 65.4 | Low | 80.1 | Confident | 181 Ų | 181 | 84.3 Ų | 84.3 | 85% | 0.846 | 41% | 0.407 | S | S | * | . | trans | -74 | 114 | 171.5 | -69.4 | -177.1 | -2.1 | 0 | 0 | 107.6 | R756 E760 | R756-Q758 PolarHBondContact O-N 3.45Å; Q758-E760 PolarHBondContact O-N 3.41Å | ||
| 759 | I | 70.2 | Confident | 79.5 | Confident | 77 Ų | 77 | 93.1 Ų | 93.1 | 40% | 0.395 | 45% | 0.445 | S | S | . | . | trans | -76 | 118.6 | 172.8 | -55.8 | 172.7 | 0 | 0 | 0 | 106.3 | Q757 I763 L764 P775 | Q757-I759 PolarHBondContact O-N 3.18Å; I759-I763 HydrophobicContact CG2-CB 4.12Å; I759-I763 HydrophobicContact CG2-CG2 4.1Å; I759-L764 HydrophobicContact CB-CD1 4.3Å; I759-L764 HydrophobicContact CG2-CB 4.01Å; I759-L764 HydrophobicContact CG2-CD1 4.17Å; I759-P775 HydrophobicContact CD1-CG 4.35Å | ||
| 760 | E | 75.4 | Confident | 78.8 | Confident | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | trans | -57 | 139.3 | 175.4 | -69.4 | -177.7 | 169.9 | 0 | 0 | 109.8 | Q758 E762 I763 L764 | Q758-E760 PolarHBondContact O-N 3.41Å; E760-E762 PolarHBondContact O-N 3.14Å; E760-E762 VanDerWaalsContact O-N 3.13Å; E760-I763 HydrophobicContact CB-CD1 4.13Å; E760-I763 HydrophobicContact CB-CG1 4.22Å; E760-I763 PolarHBondContact O-N 3.33Å; E760-L764 PolarHBondContact O-N 3Å | ||
| 761 | P | 77.4 | Confident | 78 | Confident | 95 Ų | 95 | 103.3 Ų | 103.3 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.6 | -33 | -174.6 | 20.3 | -31.1 | 0 | 0 | 0 | 112.6 | L764 E765 | P761-L764 PolarHBondContact O-N 3.48Å; P761-E765 PolarHBondContact O-N 3.01Å |
| 762 | E | 80 | Confident | 77 | Confident | 143 Ų | 143 | 109.7 Ų | 109.7 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 175.6 | -60.4 | 177.3 | -175.9 | 0 | 0 | 112.1 | E760 L764 E765 L766 | E760-E762 PolarHBondContact O-N 3.14Å; E760-E762 VanDerWaalsContact O-N 3.13Å; E762-L764 VanDerWaalsContact C-N 3.33Å; E762-E765 PolarHBondContact O-N 3.19Å; E762-L766 WeakPolarHBondContact O-CG 3.41Å; E762-L766 PolarHBondContact O-N 3.34Å |
| 763 | I | 74.3 | Confident | 76 | Confident | 90 Ų | 90 | 113.9 Ų | 113.9 | 46% | 0.462 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 176.5 | -59.2 | 174.7 | 0 | 0 | 0 | 110.2 | I759 E760 L766 A767 | I759-I763 HydrophobicContact CG2-CB 4.12Å; I759-I763 HydrophobicContact CG2-CG2 4.1Å; E760-I763 HydrophobicContact CB-CD1 4.13Å; E760-I763 HydrophobicContact CB-CG1 4.22Å; E760-I763 PolarHBondContact O-N 3.33Å; I763-L766 PolarHBondContact O-N 2.76Å; I763-A767 WeakPolarHBondContact O-CB 3.34Å; I763-A767 PolarHBondContact O-N 2.77Å |
| 764 | L | 75.4 | Confident | 75 | Confident | 48 Ų | 48 | 115.5 Ų | 115.5 | 25% | 0.251 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.5 | -39.5 | 177.1 | -164 | 124.1 | 0 | 0 | 0 | 111.6 | I759 E760 P761 E762 A767 K768 I774 | I759-L764 HydrophobicContact CB-CD1 4.3Å; I759-L764 HydrophobicContact CG2-CB 4.01Å; I759-L764 HydrophobicContact CG2-CD1 4.17Å; E760-L764 PolarHBondContact O-N 3Å; P761-L764 PolarHBondContact O-N 3.48Å; E762-L764 VanDerWaalsContact C-N 3.33Å; L764-A767 PolarHBondContact O-N 2.96Å; L764-K768 HydrophobicContact CD2-CD 4.32Å; L764-K768 VanDerWaalsContact CD2-CE 3.48Å; L764-K768 WeakPolarHBondContact O-CG 3.05Å; L764-K768 PolarHBondContact O-N 3.5Å; L764-I774 HydrophobicContact CD1-CG2 4.05Å |
| 765 | E | 78.6 | Confident | 74.4 | Confident | 140 Ų | 140 | 114.6 Ų | 114.6 | 65% | 0.654 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -41.9 | 172.1 | -75.4 | -173.6 | 178.5 | 0 | 0 | 112.2 | P761 E762 A767 K768 F769 | P761-E765 PolarHBondContact O-N 3.01Å; E762-E765 PolarHBondContact O-N 3.19Å; E765-A767 VanDerWaalsContact C-N 3.35Å; E765-A767 PolarHBondContact O-N 3.4Å; E765-K768 PolarHBondContact O-N 3.34Å; E765-F769 WeakPolarHBondContact O-CB 3.29Å; E765-F769 PolarHBondContact O-N 3.06Å |
| 766 | L | 78 | Confident | 74.4 | Confident | 114 Ų | 114 | 113.3 Ų | 113.3 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 173.8 | -74.5 | 169.5 | 0 | 0 | 0 | 111.7 | E762 I763 F769 S770 | E762-L766 WeakPolarHBondContact O-CG 3.41Å; E762-L766 PolarHBondContact O-N 3.34Å; I763-L766 PolarHBondContact O-N 2.76Å; L766-F769 PolarHBondContact O-N 3.02Å; L766-S770 WeakPolarHBondContact O-CB 3.23Å; L766-S770 PolarHBondContact O-N 3.39Å; L766-S770 PolarHBondContact O-OG 3.05Å; L766-S770 VanDerWaalsContact O-OG 3.05Å |
| 767 | A | 76.8 | Confident | 74.6 | Confident | 16 Ų | 16 | 114.2 Ų | 114.2 | 13% | 0.132 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -62.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I763 L764 E765 F769 S770 K771 Q772 I774 | I763-A767 WeakPolarHBondContact O-CB 3.34Å; I763-A767 PolarHBondContact O-N 2.77Å; L764-A767 PolarHBondContact O-N 2.96Å; E765-A767 VanDerWaalsContact C-N 3.35Å; E765-A767 PolarHBondContact O-N 3.4Å; A767-F769 VanDerWaalsContact C-N 3.32Å; A767-F769 PolarHBondContact O-N 3.47Å; A767-S770 WeakPolarHBondContact CA-OG 3.3Å; A767-S770 PolarHBondContact O-N 3.16Å; A767-S770 PolarHBondContact O-OG 3.32Å; A767-K771 PolarHBondContact O-N 3.47Å; A767-K771 VanDerWaalsContact O-N 3.15Å; A767-Q772 HydrophobicContact CB-CB 4.35Å; A767-Q772 PolarHBondContact O-N 3.46Å; A767-I774 HydrophobicContact CB-CD1 4.4Å; A767-I774 HydrophobicContact CB-CG1 4.09Å |
| 768 | K | 79.9 | Confident | 75.4 | Confident | 133 Ų | 133 | 107.4 Ų | 107.4 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.4 | -42.9 | 172.6 | -73.1 | 178.2 | -178.6 | 174.2 | 0 | 111.5 | L764 E765 K771 I774 | L764-K768 HydrophobicContact CD2-CD 4.32Å; L764-K768 VanDerWaalsContact CD2-CE 3.48Å; L764-K768 WeakPolarHBondContact O-CG 3.05Å; L764-K768 PolarHBondContact O-N 3.5Å; E765-K768 PolarHBondContact O-N 3.34Å; K768-K771 PolarHBondContact O-N 2.98Å; K768-I774 HydrophobicContact CB-CD1 4.36Å; K768-I774 HydrophobicContact CD-CD1 4.27Å; K768-I774 HydrophobicContact CG-CD1 3.28Å |
| 769 | F | 80 | Confident | 76.3 | Confident | 184 Ų | 184 | 103.1 Ų | 103.1 | 81% | 0.807 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | 179.5 | -176 | -95.6 | 0 | 0 | 0 | 112.5 | E765 L766 A767 K771 | E765-F769 WeakPolarHBondContact O-CB 3.29Å; E765-F769 PolarHBondContact O-N 3.06Å; L766-F769 PolarHBondContact O-N 3.02Å; A767-F769 VanDerWaalsContact C-N 3.32Å; A767-F769 PolarHBondContact O-N 3.47Å; F769-K771 PolarHBondContact O-N 3.48Å |
| 770 | S | 77.7 | Confident | 77.1 | Confident | 63 Ų | 63 | 103.5 Ų | 103.5 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 5 | 177.9 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | L766 A767 Q772 | L766-S770 WeakPolarHBondContact O-CB 3.23Å; L766-S770 PolarHBondContact O-N 3.39Å; L766-S770 PolarHBondContact O-OG 3.05Å; L766-S770 VanDerWaalsContact O-OG 3.05Å; A767-S770 WeakPolarHBondContact CA-OG 3.3Å; A767-S770 PolarHBondContact O-N 3.16Å; A767-S770 PolarHBondContact O-OG 3.32Å; S770-Q772 PolarHBondContact O-N 3.46Å; S770-Q772 VanDerWaalsContact O-N 3.11Å; S770-Q772 WeakPolarHBondContact OG-CG 3.41Å |
| 771 | K | 76.3 | Confident | 77.6 | Confident | 174 Ų | 174 | 98.7 Ų | 98.7 | 76% | 0.757 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 32.2 | -172.4 | -58.2 | -177.5 | 178.1 | -176.8 | 0 | 112.9 | A767 K768 F769 | A767-K771 PolarHBondContact O-N 3.47Å; A767-K771 VanDerWaalsContact O-N 3.15Å; K768-K771 PolarHBondContact O-N 2.98Å; F769-K771 PolarHBondContact O-N 3.48Å |
| 772 | Q | 71.5 | Confident | 78.1 | Confident | 134 Ų | 134 | 96.6 Ų | 96.6 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 144.6 | 173.8 | -79.1 | -171.4 | 4.2 | 0 | 0 | 109.7 | A767 S770 I774 | A767-Q772 HydrophobicContact CB-CB 4.35Å; A767-Q772 PolarHBondContact O-N 3.46Å; S770-Q772 PolarHBondContact O-N 3.46Å; S770-Q772 VanDerWaalsContact O-N 3.11Å; S770-Q772 WeakPolarHBondContact OG-CG 3.41Å; Q772-I774 PolarHBondContact O-N 3.36Å |
| 773 | H | 70 | Confident | 78.4 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 125.9 | 179 | -179 | 66.5 | 0 | 0 | 0 | 111.3 | D545 S547 | D545-H773 IonicContact OD1-NE2 3.26Å; D545-H773 IonicContact OD2-CD2 3.55Å; D545-H773 PolarHBondContact OD2-CD2 3.46Å; D545-H773 IonicContact OD2-NE2 2.91Å; D545-H773 PolarHBondContact OD2-NE2 3.36Å; S547-H773 PolarHBondContact OG-CE1 2.94Å; S547-H773 PolarHBondContact OG-NE2 3.26Å |
| 774 | I | 69.6 | Low | 79.1 | Confident | 46 Ų | 46 | 92.7 Ų | 92.7 | 24% | 0.236 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 124 | -179.5 | -59.7 | 171.5 | 0 | 0 | 0 | 107.9 | L764 A767 K768 Q772 E776 | L764-I774 HydrophobicContact CD1-CG2 4.05Å; A767-I774 HydrophobicContact CB-CD1 4.4Å; A767-I774 HydrophobicContact CB-CG1 4.09Å; K768-I774 HydrophobicContact CB-CD1 4.36Å; K768-I774 HydrophobicContact CD-CD1 4.27Å; K768-I774 HydrophobicContact CG-CD1 3.28Å; Q772-I774 PolarHBondContact O-N 3.36Å; I774-E776 PolarHBondContact O-N 3.44Å |
| 775 | P | 72 | Confident | 79.8 | Confident | 69 Ų | 69 | 95.1 Ų | 95.1 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 132.8 | 177.6 | -23.6 | 33.5 | 0 | 0 | 0 | 111.7 | D545 I759 | D545-P775 HydrophobicContact CB-CB 4.36Å; I759-P775 HydrophobicContact CD1-CG 4.35Å |
| 776 | E | 75.2 | Confident | 80.4 | Confident | 125 Ų | 125 | 88.6 Ų | 88.6 | 58% | 0.584 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 132.2 | 177.3 | -68.2 | -173.6 | 171 | 0 | 0 | 110.7 | D545 A546 I774 | D545-E776 PolarHBondContact OD1-N 2.94Å; D545-E776 VanDerWaalsContact OD1-N 3.08Å; A546-E776 HydrophobicContact CB-CB 4.48Å; A546-E776 WeakPolarHBondContact CB-O 3.25Å; A546-E776 PolarHBondContact N-O 3.38Å; A546-E776 VanDerWaalsContact N-O 3.12Å; I774-E776 PolarHBondContact O-N 3.44Å |
| 777 | D | 77.1 | Confident | 81.1 | Confident | 147 Ų | 147 | 88.4 Ų | 88.4 | 79% | 0.786 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 130.4 | 174.7 | -80.5 | -30.2 | 0 | 0 | 0 | 110.7 | ||
| 778 | H | 82.8 | Confident | 81.8 | Confident | 41 Ų | 41 | 94.7 Ų | 94.7 | 19% | 0.19 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -71 | 141.7 | 177.2 | -162.2 | -95.2 | 0 | 0 | 0 | 111.7 | A546 A655 D656 Y780 D781 | A546-H778 HydrophobicContact CB-CB 4.09Å; A655-H778 HydrophobicContact CB-CB 3.63Å; A655-H778 WeakPolarHBondContact CB-ND1 3.48Å; D656-H778 IonicContact OD1-CE1 2.72Å; D656-H778 PolarHBondContact OD1-CE1 3.29Å; D656-H778 IonicContact OD1-NE2 3.59Å; D656-H778 PolarHBondContact OD1-NE2 3.48Å; H778-Y780 AromaticContact CE1-CD2 3.34Å; H778-Y780 WeakPolarHBondContact CE1-CD2 3.42Å; H778-Y780 AromaticContact CE1-CE2 3.87Å; H778-Y780 AromaticContact CE1-CG 3.94Å; H778-Y780 AromaticContact ND1-CD2 3.61Å; H778-Y780 AromaticContact ND1-CG 3.8Å; H778-Y780 PolarHBondContact ND1-N 3.49Å; H778-Y780 PolarHBondContact O-N 2.91Å; H778-Y780 VanDerWaalsContact O-N 3.11Å; H778-D781 PolarHBondContact O-N 3.38Å |
| 779 | P | 83.8 | Confident | 82.4 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 59% | 0.591 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -52.7 | -36.7 | 178.4 | -29.6 | 35.2 | 0 | 0 | 0 | 114.9 | D781 S782 | P779-D781 VanDerWaalsContact C-N 3.27Å; P779-D781 PolarHBondContact O-N 3.17Å; P779-S782 WeakPolarHBondContact O-CB 3.38Å; P779-S782 PolarHBondContact O-N 2.85Å; P779-S782 PolarHBondContact O-OG 3.39Å |
| 780 | Y | 86.2 | Confident | 83.1 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -73.1 | -11.7 | 177.6 | -62.1 | -36.5 | 0 | 0 | 0 | 114.9 | D656 E659 H778 Y785 R789 | D656-Y780 WeakPolarHBondContact OD1-CE2 3.24Å; E659-Y780 HydrophobicContact CB-CD2 4.31Å; E659-Y780 HydrophobicContact CG-CD1 4.05Å; E659-Y780 HydrophobicContact CG-CD2 3.9Å; E659-Y780 HydrophobicContact CG-CE2 4.44Å; E659-Y780 HydrophobicContact CG-CG 3.69Å; H778-Y780 AromaticContact CE1-CD2 3.34Å; H778-Y780 WeakPolarHBondContact CE1-CD2 3.42Å; H778-Y780 AromaticContact CE1-CE2 3.87Å; H778-Y780 AromaticContact CE1-CG 3.94Å; H778-Y780 AromaticContact ND1-CD2 3.61Å; H778-Y780 AromaticContact ND1-CG 3.8Å; H778-Y780 PolarHBondContact ND1-N 3.49Å; H778-Y780 PolarHBondContact O-N 2.91Å; H778-Y780 VanDerWaalsContact O-N 3.11Å; Y780-Y785 AromaticContact CD1-CD1 3.87Å; Y780-Y785 HydrophobicContact CD1-CD1 3.87Å; Y780-Y785 AromaticContact CD1-CE1 3.63Å; Y780-Y785 HydrophobicContact CD1-CE1 3.63Å; Y780-Y785 HydrophobicContact CD1-CG 4.45Å; Y780-Y785 AromaticContact CE1-CE1 3.93Å; Y780-Y785 HydrophobicContact CE1-CE1 3.93Å; Y780-Y785 VanDerWaalsContact O-CB 3.23Å; Y780-Y785 WeakPolarHBondContact O-CB 3.47Å; Y780-R789 PolarHBondContact O-NH2 2.67Å |
| 781 | D | 87.3 | Confident | 83.9 | Confident | 19 Ų | 19 | 79.9 Ų | 79.9 | 10% | 0.102 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -96.9 | 13.5 | 173.6 | -79.5 | -30 | 0 | 0 | 0 | 112.7 | K658 N752 R756 H778 P779 I786 R789 | K658-D781 VanDerWaalsContact NZ-CG 3.32Å; K658-D781 IonicContact NZ-OD1 3.06Å; K658-D781 PolarHBondContact NZ-OD1 3.22Å; K658-D781 IonicContact NZ-OD2 3.29Å; K658-D781 PolarHBondContact NZ-OD2 2.96Å; N752-D781 VanDerWaalsContact ND2-CG 3.34Å; N752-D781 PolarHBondContact ND2-OD1 3.34Å; N752-D781 PolarHBondContact OD1-OD1 3.05Å; R756-D781 PolarHBondContact NH2-O 2.55Å; H778-D781 PolarHBondContact O-N 3.38Å; P779-D781 VanDerWaalsContact C-N 3.27Å; P779-D781 PolarHBondContact O-N 3.17Å; D781-I786 WeakPolarHBondContact O-CD1 3.45Å; D781-R789 IonicContact OD1-CZ 3.13Å; D781-R789 IonicContact OD1-NH1 2.65Å; D781-R789 IonicContact OD1-NH2 3.09Å; D781-R789 PolarHBondContact OD1-NH2 3.39Å |
| 782 | S | 86.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -68.9 | 152.2 | 166.3 | 61.9 | 0 | 0 | 0 | 0 | 112.2 | P779 A784 Y785 I786 | P779-S782 WeakPolarHBondContact O-CB 3.38Å; P779-S782 PolarHBondContact O-N 2.85Å; P779-S782 PolarHBondContact O-OG 3.39Å; S782-A784 PolarHBondContact O-N 2.72Å; S782-A784 VanDerWaalsContact O-N 3.15Å; S782-Y785 PolarHBondContact O-N 2.94Å; S782-Y785 VanDerWaalsContact OG-CD2 3.32Å; S782-Y785 WeakPolarHBondContact OG-CD2 3.11Å; S782-I786 WeakPolarHBondContact O-CG1 3.23Å; S782-I786 PolarHBondContact O-N 3.19Å |
| 783 | D | 86.6 | Confident | 85.7 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -32.8 | -172.6 | -67.3 | -13.8 | 0 | 0 | 0 | 113.1 | R756 I786 Q787 | R756-D783 IonicContact CZ-OD1 2.9Å; R756-D783 IonicContact NH1-OD1 3.36Å; R756-D783 PolarHBondContact NH1-OD1 3.04Å; R756-D783 IonicContact NH2-OD1 2.97Å; R756-D783 PolarHBondContact NH2-OD1 2.74Å; D783-I786 PolarHBondContact O-N 2.92Å; D783-Q787 WeakPolarHBondContact O-CB 3.25Å; D783-Q787 VanDerWaalsContact O-CG 3.27Å; D783-Q787 WeakPolarHBondContact O-CG 3.36Å; D783-Q787 PolarHBondContact O-N 2.98Å |
| 784 | A | 88.7 | Confident | 86.8 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S782 K788 | S782-A784 PolarHBondContact O-N 2.72Å; S782-A784 VanDerWaalsContact O-N 3.15Å; A784-K788 WeakPolarHBondContact O-CG 3.26Å; A784-K788 PolarHBondContact O-N 3.44Å |
| 785 | Y | 90.9 | Very high | 87.9 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 38% | 0.384 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 176.3 | -82.1 | -96.3 | 0 | 0 | 0 | 110.9 | Y780 S782 Q787 K788 R789 | Y780-Y785 AromaticContact CD1-CD1 3.87Å; Y780-Y785 HydrophobicContact CD1-CD1 3.87Å; Y780-Y785 AromaticContact CD1-CE1 3.63Å; Y780-Y785 HydrophobicContact CD1-CE1 3.63Å; Y780-Y785 HydrophobicContact CD1-CG 4.45Å; Y780-Y785 AromaticContact CE1-CE1 3.93Å; Y780-Y785 HydrophobicContact CE1-CE1 3.93Å; Y780-Y785 VanDerWaalsContact O-CB 3.23Å; Y780-Y785 WeakPolarHBondContact O-CB 3.47Å; S782-Y785 PolarHBondContact O-N 2.94Å; S782-Y785 VanDerWaalsContact OG-CD2 3.32Å; S782-Y785 WeakPolarHBondContact OG-CD2 3.11Å; Y785-Q787 PolarHBondContact O-N 3.48Å; Y785-K788 PolarHBondContact O-N 3.09Å; Y785-R789 WeakPolarHBondContact O-CG 3.47Å; Y785-R789 PolarHBondContact O-N 3.36Å |
| 786 | I | 91.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 178 | -68.2 | 166.8 | 0 | 0 | 0 | 111.5 | N752 D781 S782 D783 K788 R789 R790 | N752-I786 HydrophobicContact CB-CD1 3.91Å; N752-I786 HydrophobicContact CB-CG1 4.17Å; N752-I786 HydrophobicContact CB-CG2 4.24Å; N752-I786 VanDerWaalsContact ND2-CD1 3.28Å; N752-I786 WeakPolarHBondContact ND2-CD1 3.49Å; D781-I786 WeakPolarHBondContact O-CD1 3.45Å; S782-I786 WeakPolarHBondContact O-CG1 3.23Å; S782-I786 PolarHBondContact O-N 3.19Å; D783-I786 PolarHBondContact O-N 2.92Å; I786-K788 VanDerWaalsContact C-N 3.33Å; I786-K788 PolarHBondContact O-N 3Å; I786-R789 PolarHBondContact O-N 3.15Å; I786-R790 HydrophobicContact CG2-CG 4.19Å; I786-R790 VanDerWaalsContact CG2-CZ 3.49Å; I786-R790 VanDerWaalsContact CG2-NE 3.28Å; I786-R790 WeakPolarHBondContact O-CB 3.29Å; I786-R790 VanDerWaalsContact O-CG 3.3Å; I786-R790 WeakPolarHBondContact O-CG 3.47Å; I786-R790 PolarHBondContact O-N 3.44Å |
| 787 | Q | 91.8 | Very high | 89.5 | Confident | 110 Ų | 110 | 60.4 Ų | 60.4 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 177.8 | -74.1 | -179.1 | 6.7 | 0 | 0 | 111.3 | D783 Y785 R790 Q791 L834 | D783-Q787 WeakPolarHBondContact O-CB 3.25Å; D783-Q787 VanDerWaalsContact O-CG 3.27Å; D783-Q787 WeakPolarHBondContact O-CG 3.36Å; D783-Q787 PolarHBondContact O-N 2.98Å; Y785-Q787 PolarHBondContact O-N 3.48Å; Q787-R790 PolarHBondContact O-N 3.04Å; Q787-Q791 VanDerWaalsContact O-CB 3.29Å; Q787-Q791 WeakPolarHBondContact O-CB 3.5Å; Q787-Q791 PolarHBondContact O-N 3.45Å; Q787-L834 HydrophobicContact CB-CD2 4Å; Q787-L834 HydrophobicContact CG-CD2 3.94Å |
| 788 | K | 91.7 | Very high | 90.3 | Very high | 148 Ų | 148 | 53.4 Ų | 53.4 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 175.1 | -73.5 | 176.1 | -178 | 175.8 | 0 | 112.2 | A784 Y785 I786 Q791 K792 | A784-K788 WeakPolarHBondContact O-CG 3.26Å; A784-K788 PolarHBondContact O-N 3.44Å; Y785-K788 PolarHBondContact O-N 3.09Å; I786-K788 VanDerWaalsContact C-N 3.33Å; I786-K788 PolarHBondContact O-N 3Å; K788-Q791 PolarHBondContact O-N 3.32Å; K788-K792 WeakPolarHBondContact O-CB 3.35Å; K788-K792 PolarHBondContact O-N 3.12Å |
| 789 | R | 94 | Very high | 90.7 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 176.8 | -74.9 | -165.4 | -88 | 140.4 | -10.8 | 111.8 | E659 I662 L750 N752 Y780 D781 Y785 I786 Q791 K792 L793 | E659-R789 WeakPolarHBondContact OE1-CD 3.47Å; E659-R789 VanDerWaalsContact OE1-CG 3.24Å; E659-R789 WeakPolarHBondContact OE1-CG 3.42Å; E659-R789 IonicContact OE1-NE 3.54Å; E659-R789 PolarHBondContact OE1-NE 3.13Å; I662-R789 HydrophobicContact CB-CG 4.37Å; I662-R789 HydrophobicContact CD1-CB 4.46Å; I662-R789 HydrophobicContact CG1-CB 4.32Å; I662-R789 HydrophobicContact CG1-CG 3.93Å; I662-R789 HydrophobicContact CG2-CG 4.13Å; L750-R789 PolarHBondContact O-NH1 2.89Å; N752-R789 PolarHBondContact OD1-NH1 2.89Å; N752-R789 PolarHBondContact OD1-NH2 3.17Å; Y780-R789 PolarHBondContact O-NH2 2.67Å; D781-R789 IonicContact OD1-CZ 3.13Å; D781-R789 IonicContact OD1-NH1 2.65Å; D781-R789 IonicContact OD1-NH2 3.09Å; D781-R789 PolarHBondContact OD1-NH2 3.39Å; Y785-R789 WeakPolarHBondContact O-CG 3.47Å; Y785-R789 PolarHBondContact O-N 3.36Å; I786-R789 PolarHBondContact O-N 3.15Å; R789-Q791 VanDerWaalsContact C-N 3.34Å; R789-Q791 PolarHBondContact O-N 2.79Å; R789-K792 PolarHBondContact O-N 3.23Å; R789-L793 WeakPolarHBondContact O-CG 3.37Å; R789-L793 PolarHBondContact O-N 3.07Å |
| 790 | R | 94.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 49 Ų | 49 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 177.2 | -73.2 | 175.7 | -178.4 | 174.3 | 4.5 | 111.3 | T751 N752 I786 Q787 K792 L793 I794 A830 E833 L834 | T751-R790 HydrophobicContact CG2-CG 4.31Å; T751-R790 PolarHBondContact O-NE 2.91Å; T751-R790 PolarHBondContact O-NH2 3.33Å; T751-R790 VanDerWaalsContact O-NH2 3.09Å; N752-R790 PolarHBondContact O-NH2 3.07Å; I786-R790 HydrophobicContact CG2-CG 4.19Å; I786-R790 VanDerWaalsContact CG2-CZ 3.49Å; I786-R790 VanDerWaalsContact CG2-NE 3.28Å; I786-R790 WeakPolarHBondContact O-CB 3.29Å; I786-R790 VanDerWaalsContact O-CG 3.3Å; I786-R790 WeakPolarHBondContact O-CG 3.47Å; I786-R790 PolarHBondContact O-N 3.44Å; Q787-R790 PolarHBondContact O-N 3.04Å; R790-K792 VanDerWaalsContact C-N 3.35Å; R790-K792 PolarHBondContact O-N 3.19Å; R790-L793 PolarHBondContact O-N 3.41Å; R790-I794 VanDerWaalsContact O-CG1 3.25Å; R790-I794 WeakPolarHBondContact O-CG1 3.35Å; R790-I794 PolarHBondContact O-N 2.95Å; R790-A830 PolarHBondContact NH1-O 2.8Å; R790-E833 IonicContact CZ-OE2 3.96Å; R790-E833 IonicContact NH1-OE2 3.16Å; R790-E833 PolarHBondContact NH1-OE2 3.48Å; R790-E833 IonicContact NH2-OE2 3.47Å; R790-L834 HydrophobicContact CB-CD1 3.51Å; R790-L834 HydrophobicContact CB-CG 4.5Å |
| 791 | Q | 93.7 | Very high | 91.2 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 23% | 0.229 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.8 | -174.7 | 67.9 | 20.4 | 0 | 0 | 111.3 | Q787 K788 R789 I794 N795 L834 C837 | Q787-Q791 VanDerWaalsContact O-CB 3.29Å; Q787-Q791 WeakPolarHBondContact O-CB 3.5Å; Q787-Q791 PolarHBondContact O-N 3.45Å; K788-Q791 PolarHBondContact O-N 3.32Å; R789-Q791 VanDerWaalsContact C-N 3.34Å; R789-Q791 PolarHBondContact O-N 2.79Å; Q791-I794 PolarHBondContact O-N 3.03Å; Q791-N795 WeakPolarHBondContact O-CB 3.24Å; Q791-N795 PolarHBondContact O-N 3.46Å; Q791-N795 PolarHBondContact O-ND2 3.17Å; Q791-N795 VanDerWaalsContact O-ND2 3.15Å; Q791-L834 HydrophobicContact CB-CD1 4.21Å; Q791-C837 PolarHBondContact OE1-SG 2.91Å |
| 792 | K | 93 | Very high | 91.4 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 179.4 | -168.3 | 165.9 | 174.3 | -166.4 | 0 | 111.5 | I662 K788 R789 R790 I794 N795 M796 | I662-K792 HydrophobicContact CG2-CB 4.47Å; I662-K792 HydrophobicContact CG2-CD 3.69Å; I662-K792 HydrophobicContact CG2-CG 4.4Å; I662-K792 WeakPolarHBondContact O-CE 3.4Å; I662-K792 PolarHBondContact O-NZ 2.61Å; K788-K792 WeakPolarHBondContact O-CB 3.35Å; K788-K792 PolarHBondContact O-N 3.12Å; R789-K792 PolarHBondContact O-N 3.23Å; R790-K792 VanDerWaalsContact C-N 3.35Å; R790-K792 PolarHBondContact O-N 3.19Å; K792-I794 PolarHBondContact O-N 3Å; K792-N795 PolarHBondContact O-N 3.39Å; K792-M796 HydrophobicContact CG-SD 4.22Å; K792-M796 VanDerWaalsContact O-CG 3.26Å; K792-M796 WeakPolarHBondContact O-CG 3.39Å; K792-M796 PolarHBondContact O-N 3.19Å |
| 793 | L | 94.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.9 | -72.9 | 169.8 | 0 | 0 | 0 | 113.1 | I662 V668 L750 T751 R789 R790 N795 M796 G797 L798 | I662-L793 HydrophobicContact CD1-CD1 3.87Å; I662-L793 HydrophobicContact CD1-CD2 3.51Å; I662-L793 HydrophobicContact CD1-CG 3.51Å; V668-L793 HydrophobicContact CG1-CD2 3.8Å; L750-L793 HydrophobicContact CB-CD1 3.9Å; L750-L793 HydrophobicContact CD1-CD2 4.46Å; T751-L793 HydrophobicContact CG2-CD1 3.63Å; R789-L793 WeakPolarHBondContact O-CG 3.37Å; R789-L793 PolarHBondContact O-N 3.07Å; R790-L793 PolarHBondContact O-N 3.41Å; L793-N795 VanDerWaalsContact C-N 3.31Å; L793-N795 PolarHBondContact O-N 3.28Å; L793-M796 PolarHBondContact O-N 3.22Å; L793-M796 VanDerWaalsContact O-N 3.16Å; L793-G797 PolarHBondContact O-N 3Å; L793-L798 HydrophobicContact CB-CB 4.23Å; L793-L798 HydrophobicContact CB-CD2 3.85Å; L793-L798 HydrophobicContact CD1-CD2 4.41Å; L793-L798 VanDerWaalsContact O-CB 3.23Å; L793-L798 WeakPolarHBondContact O-CB 3.37Å; L793-L798 PolarHBondContact O-N 2.73Å; L793-L798 VanDerWaalsContact O-N 3.14Å |
| 794 | I | 93 | Very high | 91.5 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 178.5 | -65.7 | 166.2 | 0 | 0 | 0 | 110.1 | R790 Q791 K792 M796 G797 L798 C831 L834 C837 K840 | R790-I794 VanDerWaalsContact O-CG1 3.25Å; R790-I794 WeakPolarHBondContact O-CG1 3.35Å; R790-I794 PolarHBondContact O-N 2.95Å; Q791-I794 PolarHBondContact O-N 3.03Å; K792-I794 PolarHBondContact O-N 3Å; I794-M796 PolarHBondContact O-N 3.44Å; I794-G797 PolarHBondContact O-N 3.15Å; I794-L798 HydrophobicContact CG1-CD2 4.49Å; I794-C831 HydrophobicContact CD1-CB 3.84Å; I794-C831 HydrophobicContact CG1-CB 4.4Å; I794-L834 HydrophobicContact CD1-CD1 4.13Å; I794-C837 HydrophobicContact CD1-CB 3.67Å; I794-C837 HydrophobicContact CG2-CB 4.06Å; I794-K840 HydrophobicContact CG2-CB 4.11Å; I794-K840 HydrophobicContact CG2-CD 4.27Å |
| 795 | N | 91.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 39.6 Ų | 39.6 | 43% | 0.428 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.6 | -28.1 | 176.4 | -67.6 | -21.4 | 0 | 0 | 0 | 113.3 | Q791 K792 L793 G797 K840 | Q791-N795 WeakPolarHBondContact O-CB 3.24Å; Q791-N795 PolarHBondContact O-N 3.46Å; Q791-N795 PolarHBondContact O-ND2 3.17Å; Q791-N795 VanDerWaalsContact O-ND2 3.15Å; K792-N795 PolarHBondContact O-N 3.39Å; L793-N795 VanDerWaalsContact C-N 3.31Å; L793-N795 PolarHBondContact O-N 3.28Å; N795-G797 VanDerWaalsContact C-N 3.35Å; N795-K840 PolarHBondContact OD1-NZ 3.19Å |
| 796 | M | 91.2 | Very high | 91 | Very high | 64 Ų | 64 | 35 Ų | 35 | 32% | 0.315 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.7 | 178.3 | -68.4 | -177.3 | 71.1 | 0 | 0 | 114.2 | G665 V668 L672 K792 L793 I794 | G665-M796 VanDerWaalsContact O-CE 3.23Å; G665-M796 WeakPolarHBondContact O-CE 3.36Å; V668-M796 HydrophobicContact CB-CE 3.57Å; V668-M796 HydrophobicContact CB-SD 4.08Å; V668-M796 HydrophobicContact CG1-CB 4.32Å; V668-M796 HydrophobicContact CG1-CE 3.57Å; V668-M796 HydrophobicContact CG1-SD 3.7Å; L672-M796 HydrophobicContact CD1-CB 4.04Å; L672-M796 VanDerWaalsContact CD1-O 3.3Å; L672-M796 WeakPolarHBondContact CD1-O 3.23Å; K792-M796 HydrophobicContact CG-SD 4.22Å; K792-M796 VanDerWaalsContact O-CG 3.26Å; K792-M796 WeakPolarHBondContact O-CG 3.39Å; K792-M796 PolarHBondContact O-N 3.19Å; L793-M796 PolarHBondContact O-N 3.22Å; L793-M796 VanDerWaalsContact O-N 3.16Å; I794-M796 PolarHBondContact O-N 3.44Å |
| 797 | G | 90.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | 16.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L793 I794 N795 A799 S800 S801 | L793-G797 PolarHBondContact O-N 3Å; I794-G797 PolarHBondContact O-N 3.15Å; N795-G797 VanDerWaalsContact C-N 3.35Å; G797-A799 PolarHBondContact O-N 3.02Å; G797-S800 PolarHBondContact O-N 3.3Å; G797-S801 PolarHBondContact O-N 2.82Å; G797-S801 PolarHBondContact O-OG 2.93Å |
| 798 | L | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -50.7 | -40.8 | 174.3 | 175.6 | 61.5 | 0 | 0 | 0 | 112.4 | L672 L747 T751 L793 I794 S800 S801 L802 I827 | L672-L798 HydrophobicContact CD2-CB 4.29Å; L672-L798 HydrophobicContact CD2-CD1 3.96Å; L747-L798 HydrophobicContact CD1-CD1 3.85Å; L747-L798 HydrophobicContact CD2-CD1 3.88Å; L747-L798 HydrophobicContact CG-CD1 4.31Å; T751-L798 HydrophobicContact CG2-CD2 3.91Å; L793-L798 HydrophobicContact CB-CB 4.23Å; L793-L798 HydrophobicContact CB-CD2 3.85Å; L793-L798 HydrophobicContact CD1-CD2 4.41Å; L793-L798 VanDerWaalsContact O-CB 3.23Å; L793-L798 WeakPolarHBondContact O-CB 3.37Å; L793-L798 PolarHBondContact O-N 2.73Å; L793-L798 VanDerWaalsContact O-N 3.14Å; I794-L798 HydrophobicContact CG1-CD2 4.49Å; L798-S800 PolarHBondContact O-N 3.44Å; L798-S801 WeakPolarHBondContact O-CB 3.49Å; L798-S801 PolarHBondContact O-N 3.26Å; L798-L802 HydrophobicContact CD1-CD1 4.14Å; L798-L802 HydrophobicContact CD1-CD2 4.38Å; L798-L802 HydrophobicContact CD1-CG 3.97Å; L798-L802 HydrophobicContact CG-CD1 3.94Å; L798-L802 HydrophobicContact CG-CG 4.24Å; L798-L802 WeakPolarHBondContact O-CG 3.35Å; L798-L802 PolarHBondContact O-N 3.19Å; L798-I827 HydrophobicContact CD2-CG2 4.42Å |
| 799 | A | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G797 Y803 L841 S844 | G797-A799 PolarHBondContact O-N 3.02Å; A799-Y803 PolarHBondContact O-N 3.5Å; A799-Y803 VanDerWaalsContact O-N 3.16Å; A799-L841 HydrophobicContact CB-CD2 3.78Å; A799-S844 VanDerWaalsContact CB-OG 3.29Å; A799-S844 WeakPolarHBondContact CB-OG 3.5Å |
| 800 | S | 90.8 | Very high | 87.4 | Confident | 40 Ų | 40 | 27 Ų | 27 | 28% | 0.28 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | G797 L798 L802 Y803 Q804 | G797-S800 PolarHBondContact O-N 3.3Å; L798-S800 PolarHBondContact O-N 3.44Å; S800-L802 PolarHBondContact O-N 3.05Å; S800-Y803 WeakPolarHBondContact O-CB 3.33Å; S800-Y803 PolarHBondContact O-N 3.05Å; S800-Q804 WeakPolarHBondContact O-CG 3.39Å; S800-Q804 PolarHBondContact O-N 3.48Å; S800-Q804 VanDerWaalsContact O-N 3.08Å; S800-Q804 PolarHBondContact OG-NE2 2.84Å |
| 801 | S | 88.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | L672 G797 L798 Y803 Q804 L805 | L672-S801 WeakPolarHBondContact CB-OG 3.46Å; L672-S801 PolarHBondContact O-OG 3.32Å; G797-S801 PolarHBondContact O-N 2.82Å; G797-S801 PolarHBondContact O-OG 2.93Å; L798-S801 WeakPolarHBondContact O-CB 3.49Å; L798-S801 PolarHBondContact O-N 3.26Å; S801-Y803 VanDerWaalsContact C-N 3.35Å; S801-Y803 PolarHBondContact O-N 3.45Å; S801-Q804 PolarHBondContact O-N 3.04Å; S801-L805 WeakPolarHBondContact O-CG 3.5Å; S801-L805 PolarHBondContact O-N 3.47Å |
| 802 | L | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176 | -68.9 | 172.3 | 0 | 0 | 0 | 112.6 | L798 S800 Q804 L805 T806 I824 I827 Y828 | L798-L802 HydrophobicContact CD1-CD1 4.14Å; L798-L802 HydrophobicContact CD1-CD2 4.38Å; L798-L802 HydrophobicContact CD1-CG 3.97Å; L798-L802 HydrophobicContact CG-CD1 3.94Å; L798-L802 HydrophobicContact CG-CG 4.24Å; L798-L802 WeakPolarHBondContact O-CG 3.35Å; L798-L802 PolarHBondContact O-N 3.19Å; S800-L802 PolarHBondContact O-N 3.05Å; L802-Q804 VanDerWaalsContact C-N 3.33Å; L802-Q804 PolarHBondContact O-N 3.39Å; L802-L805 PolarHBondContact O-N 3.38Å; L802-T806 WeakPolarHBondContact O-CB 3.43Å; L802-T806 PolarHBondContact O-N 2.97Å; L802-T806 PolarHBondContact O-OG1 2.95Å; L802-I824 HydrophobicContact CD2-CG2 4.5Å; L802-I827 HydrophobicContact CD1-CB 4.46Å; L802-I827 HydrophobicContact CD1-CG2 3.67Å; L802-I827 HydrophobicContact CD2-CB 4.27Å; L802-I827 HydrophobicContact CD2-CD1 4.15Å; L802-I827 HydrophobicContact CD2-CG2 3.95Å; L802-I827 HydrophobicContact CG-CG2 4.42Å; L802-Y828 VanDerWaalsContact C-OH 3.25Å; L802-Y828 HydrophobicContact CB-CE1 3.95Å; L802-Y828 HydrophobicContact CB-CE2 4.02Å; L802-Y828 WeakPolarHBondContact CB-OH 3.03Å; L802-Y828 HydrophobicContact CD1-CD1 4.1Å; L802-Y828 HydrophobicContact CD1-CE1 3.99Å; L802-Y828 HydrophobicContact CD1-CG 4.49Å |
| 803 | Y | 90.5 | Very high | 81.4 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 23% | 0.231 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 177.4 | 174.3 | -96.4 | 0 | 0 | 0 | 110.9 | A799 S800 S801 T806 M807 Y828 S844 G845 K848 A849 | A799-Y803 PolarHBondContact O-N 3.5Å; A799-Y803 VanDerWaalsContact O-N 3.16Å; S800-Y803 WeakPolarHBondContact O-CB 3.33Å; S800-Y803 PolarHBondContact O-N 3.05Å; S801-Y803 VanDerWaalsContact C-N 3.35Å; S801-Y803 PolarHBondContact O-N 3.45Å; Y803-T806 PolarHBondContact O-N 2.87Å; Y803-M807 HydrophobicContact CD1-CG 4.31Å; Y803-M807 HydrophobicContact CE1-CG 3.87Å; Y803-M807 HydrophobicContact CE2-CE 4.27Å; Y803-M807 HydrophobicContact CE2-CG 4.1Å; Y803-M807 HydrophobicContact CE2-SD 4.25Å; Y803-M807 WeakPolarHBondContact O-CG 3.5Å; Y803-M807 PolarHBondContact O-N 3.48Å; Y803-Y828 WeakPolarHBondContact CA-OH 3.44Å; Y803-Y828 PolarHBondContact N-OH 2.95Å; Y803-Y828 VanDerWaalsContact N-OH 3.1Å; Y803-S844 WeakPolarHBondContact CB-O 3.47Å; Y803-G845 WeakPolarHBondContact CD2-O 3.29Å; Y803-K848 HydrophobicContact CE2-CB 4.4Å; Y803-K848 HydrophobicContact CE2-CD 4.27Å; Y803-K848 PolarHBondContact OH-NZ 3.36Å; Y803-A849 HydrophobicContact CD2-CB 3.92Å |
| 804 | Q | 84.6 | Confident | 78.8 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 179 | -65.8 | 177.3 | 32.8 | 0 | 0 | 112.1 | E676 S800 S801 L802 T806 M807 R808 | E676-Q804 VanDerWaalsContact CB-OE1 3.24Å; E676-Q804 PolarHBondContact OE1-NE2 3.35Å; S800-Q804 WeakPolarHBondContact O-CG 3.39Å; S800-Q804 PolarHBondContact O-N 3.48Å; S800-Q804 VanDerWaalsContact O-N 3.08Å; S800-Q804 PolarHBondContact OG-NE2 2.84Å; S801-Q804 PolarHBondContact O-N 3.04Å; L802-Q804 VanDerWaalsContact C-N 3.33Å; L802-Q804 PolarHBondContact O-N 3.39Å; Q804-T806 VanDerWaalsContact C-N 3.29Å; Q804-T806 PolarHBondContact O-N 3.42Å; Q804-M807 PolarHBondContact O-N 3.25Å; Q804-M807 VanDerWaalsContact O-N 3.15Å; Q804-R808 PolarHBondContact O-N 3.37Å |
| 805 | L | 84.4 | Confident | 76.5 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -43.7 | 175.1 | -70 | 170.3 | 0 | 0 | 0 | 111.5 | A675 L743 S801 L802 M807 R808 I809 I824 | A675-L805 HydrophobicContact CB-CD1 4.18Å; A675-L805 HydrophobicContact CB-CD2 4.13Å; A675-L805 HydrophobicContact CB-CG 4.05Å; L743-L805 HydrophobicContact CD2-CD1 4.36Å; L743-L805 HydrophobicContact CD2-CD2 4.39Å; S801-L805 WeakPolarHBondContact O-CG 3.5Å; S801-L805 PolarHBondContact O-N 3.47Å; L802-L805 PolarHBondContact O-N 3.38Å; L805-M807 PolarHBondContact O-N 3.06Å; L805-R808 PolarHBondContact O-N 3.42Å; L805-I809 WeakPolarHBondContact O-CG1 3.34Å; L805-I809 PolarHBondContact O-N 3.34Å; L805-I824 HydrophobicContact CB-CD1 4.07Å |
| 806 | T | 86.6 | Confident | 74.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 112 | L802 Y803 Q804 I824 A849 L853 | L802-T806 WeakPolarHBondContact O-CB 3.43Å; L802-T806 PolarHBondContact O-N 2.97Å; L802-T806 PolarHBondContact O-OG1 2.95Å; Y803-T806 PolarHBondContact O-N 2.87Å; Q804-T806 VanDerWaalsContact C-N 3.29Å; Q804-T806 PolarHBondContact O-N 3.42Å; T806-I824 WeakPolarHBondContact OG1-CG2 3.33Å; T806-A849 HydrophobicContact CG2-CB 3.84Å; T806-L853 HydrophobicContact CG2-CD1 3.79Å; T806-L853 HydrophobicContact CG2-CD2 3.99Å; T806-L853 HydrophobicContact CG2-CG 3.67Å |
| 807 | M | 83.2 | Confident | 73.4 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 18% | 0.177 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -35.5 | -179.7 | -70 | -54.8 | 97.9 | 0 | 0 | 112.3 | Y803 Q804 L805 A849 K852 | Y803-M807 HydrophobicContact CD1-CG 4.31Å; Y803-M807 HydrophobicContact CE1-CG 3.87Å; Y803-M807 HydrophobicContact CE2-CE 4.27Å; Y803-M807 HydrophobicContact CE2-CG 4.1Å; Y803-M807 HydrophobicContact CE2-SD 4.25Å; Y803-M807 WeakPolarHBondContact O-CG 3.5Å; Y803-M807 PolarHBondContact O-N 3.48Å; Q804-M807 PolarHBondContact O-N 3.25Å; Q804-M807 VanDerWaalsContact O-N 3.15Å; L805-M807 PolarHBondContact O-N 3.06Å; M807-A849 HydrophobicContact CE-CB 4.24Å; M807-K852 HydrophobicContact CE-CD 3.93Å |
| 808 | R | 74 | Confident | 72.8 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.038 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 177.3 | -172.1 | -168.2 | 58.5 | -159.6 | -21.6 | 112.7 | D738 S740 Q804 L805 A810 T811 T812 | D738-R808 IonicContact OD1-CZ 3.23Å; D738-R808 IonicContact OD1-NH1 2.73Å; S740-R808 PolarHBondContact OG-NH1 3.37Å; S740-R808 PolarHBondContact OG-NH2 2.87Å; Q804-R808 PolarHBondContact O-N 3.37Å; L805-R808 PolarHBondContact O-N 3.42Å; R808-A810 PolarHBondContact O-N 2.84Å; R808-T811 PolarHBondContact O-N 3.11Å; R808-T811 PolarHBondContact O-OG1 3.22Å; R808-T812 PolarHBondContact O-N 3.39Å; R808-T812 PolarHBondContact O-OG1 3.08Å |
| 809 | I | 72 | Confident | 72.2 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.9 | -35.8 | -179.5 | -69.5 | 163.4 | 0 | 0 | 0 | 111.5 | L805 T811 T812 N817 L820 I824 | L805-I809 WeakPolarHBondContact O-CG1 3.34Å; L805-I809 PolarHBondContact O-N 3.34Å; I809-T811 VanDerWaalsContact C-N 3.27Å; I809-T811 PolarHBondContact O-N 3.36Å; I809-T812 PolarHBondContact O-N 3.25Å; I809-N817 HydrophobicContact CG2-CB 4.12Å; I809-L820 HydrophobicContact CD1-CD2 3.56Å; I809-L820 HydrophobicContact CD1-CG 3.58Å; I809-L820 HydrophobicContact CG1-CD2 3.69Å; I809-L820 HydrophobicContact CG1-CG 4.27Å; I809-I824 HydrophobicContact CD1-CD1 3.27Å |
| 810 | A | 63.6 | Low | 71.9 | Confident | 39 Ų | 39 | 46.5 Ų | 46.5 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R808 K852 | R808-A810 PolarHBondContact O-N 2.84Å; A810-K852 HydrophobicContact CB-CD 3.94Å |
| 811 | T | 60.1 | Low | 71.8 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -21.4 | 171.8 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | R808 I809 | R808-T811 PolarHBondContact O-N 3.11Å; R808-T811 PolarHBondContact O-OG1 3.22Å; I809-T811 VanDerWaalsContact C-N 3.27Å; I809-T811 PolarHBondContact O-N 3.36Å |
| 812 | T | 52.4 | Low | 71.9 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -77.8 | 132.2 | -177.6 | -32.3 | 0 | 0 | 0 | 0 | 110.8 | R808 I809 | R808-T812 PolarHBondContact O-N 3.39Å; R808-T812 PolarHBondContact O-OG1 3.08Å; I809-T812 PolarHBondContact O-N 3.25Å |
| 813 | L | 42.2 | Very low | 71.8 | Confident | 156 Ų | 156 | 46.6 Ų | 46.6 | 82% | 0.817 | 28% | 0.282 | S | S | * | . | trans | -72.8 | 129.9 | -176.2 | -120.1 | 90.1 | 0 | 0 | 0 | 112 | ||||
| 814 | V | 38.4 | Very low | 71.9 | Confident | 116 Ų | 116 | 43.8 Ų | 43.8 | 70% | 0.703 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 50.7 | 107.6 | 151.1 | -168.4 | 0 | 0 | 0 | 0 | 118.3 | ||
| 815 | G | 44.8 | Very low | 72.4 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 109.3 | -36.7 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 816 | S | 51.4 | Low | 72.9 | Confident | 101 Ų | 101 | 43.6 Ų | 43.6 | 71% | 0.706 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -93.6 | -9.5 | -166.6 | 58.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 817 | N | 67.4 | Low | 73.3 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | trans | -106.9 | 19.1 | -162 | -67.9 | -5.1 | 0 | 0 | 0 | 115.7 | I809 L820 S821 | I809-N817 HydrophobicContact CG2-CB 4.12Å; N817-L820 HydrophobicContact CB-CB 4.47Å; N817-L820 PolarHBondContact O-N 3.47Å; N817-S821 PolarHBondContact O-N 3.29Å; N817-S821 VanDerWaalsContact O-N 3.07Å; N817-S821 PolarHBondContact O-OG 3.08Å | ||
| 818 | Q | 78.2 | Confident | 73.9 | Confident | 99 Ų | 99 | 41.8 Ų | 41.8 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -50.1 | 178.3 | -74.8 | -178.1 | -10.8 | 0 | 0 | 112.6 | L820 S821 E822 F858 T860 | Q818-L820 VanDerWaalsContact C-N 3.27Å; Q818-L820 PolarHBondContact O-N 3.41Å; Q818-S821 PolarHBondContact O-N 2.85Å; Q818-S821 VanDerWaalsContact O-N 3.16Å; Q818-E822 PolarHBondContact O-N 3.34Å; Q818-F858 VanDerWaalsContact CA-O 3.27Å; Q818-F858 WeakPolarHBondContact CA-O 3.47Å; Q818-F858 WeakPolarHBondContact CG-O 3.23Å; Q818-T860 HydrophobicContact CB-CG2 4.04Å |
| 819 | G | 81.1 | Confident | 75 | Confident | 37 Ų | 37 | 42.2 Ų | 42.2 | 38% | 0.381 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -34.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L823 | G819-L823 WeakPolarHBondContact O-CB 3.26Å; G819-L823 PolarHBondContact O-N 3.1Å |
| 820 | L | 84.4 | Confident | 76 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175.4 | 178.5 | 60.8 | 0 | 0 | 0 | 111.8 | S740 F741 C744 I809 N817 Q818 L823 I824 | S740-L820 WeakPolarHBondContact O-CD1 3.3Å; F741-L820 HydrophobicContact CD2-CB 4.17Å; C744-L820 HydrophobicContact CB-CD1 3.74Å; C744-L820 VanDerWaalsContact SG-CD1 3.51Å; I809-L820 HydrophobicContact CD1-CD2 3.56Å; I809-L820 HydrophobicContact CD1-CG 3.58Å; I809-L820 HydrophobicContact CG1-CD2 3.69Å; I809-L820 HydrophobicContact CG1-CG 4.27Å; N817-L820 HydrophobicContact CB-CB 4.47Å; N817-L820 PolarHBondContact O-N 3.47Å; Q818-L820 VanDerWaalsContact C-N 3.27Å; Q818-L820 PolarHBondContact O-N 3.41Å; L820-L823 PolarHBondContact O-N 3.24Å; L820-I824 HydrophobicContact CD1-CD1 4.25Å; L820-I824 HydrophobicContact CD1-CG1 4.49Å; L820-I824 HydrophobicContact CG-CD1 4.23Å; L820-I824 WeakPolarHBondContact O-CG1 3.42Å; L820-I824 PolarHBondContact O-N 2.97Å |
| 821 | S | 88.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | N817 Q818 S825 F858 N859 | N817-S821 PolarHBondContact O-N 3.29Å; N817-S821 VanDerWaalsContact O-N 3.07Å; N817-S821 PolarHBondContact O-OG 3.08Å; Q818-S821 PolarHBondContact O-N 2.85Å; Q818-S821 VanDerWaalsContact O-N 3.16Å; S821-S825 WeakPolarHBondContact O-CB 3.47Å; S821-S825 PolarHBondContact O-N 3.14Å; S821-S825 VanDerWaalsContact O-N 3.1Å; S821-S825 PolarHBondContact O-OG 3.02Å; S821-F858 PolarHBondContact OG-O 3.21Å; S821-N859 VanDerWaalsContact C-OD1 3.27Å; S821-N859 WeakPolarHBondContact CB-OD1 3.25Å |
| 822 | E | 91.1 | Very high | 79 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 173.7 | -175.9 | 179.5 | 143.8 | 0 | 0 | 110.7 | Q818 I824 S825 R826 N859 T860 | Q818-E822 PolarHBondContact O-N 3.34Å; E822-I824 VanDerWaalsContact C-N 3.33Å; E822-I824 PolarHBondContact O-N 3.36Å; E822-S825 CarbonylContact O-C 3.52Å; E822-S825 WeakPolarHBondContact O-CA 3.37Å; E822-S825 WeakPolarHBondContact O-CB 3.29Å; E822-S825 PolarHBondContact O-N 3.5Å; E822-R826 PolarHBondContact O-N 2.98Å; E822-R826 IonicContact OE1-CZ 3.26Å; E822-R826 VanDerWaalsContact OE1-CZ 3.31Å; E822-R826 IonicContact OE1-NE 3.47Å; E822-R826 PolarHBondContact OE1-NE 3.09Å; E822-R826 IonicContact OE1-NH2 2.66Å; E822-R826 PolarHBondContact OE1-NH2 3.25Å; E822-N859 WeakPolarHBondContact CA-OD1 3.06Å; E822-N859 PolarHBondContact N-OD1 3.08Å; E822-N859 VanDerWaalsContact N-OD1 3.11Å; E822-T860 HydrophobicContact CB-CG2 4.47Å; E822-T860 WeakPolarHBondContact CB-OG1 3.29Å; E822-T860 WeakPolarHBondContact OE2-CB 3.48Å; E822-T860 WeakPolarHBondContact OE2-CG2 3.33Å; E822-T860 PolarHBondContact OE2-OG1 3.09Å |
| 823 | L | 89.5 | Confident | 80.9 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | -178.9 | -166.3 | 57.6 | 0 | 0 | 0 | 112.3 | F741 C744 A748 F754 G819 L820 S825 R826 I827 | F741-L823 HydrophobicContact CE2-CD2 4.34Å; F741-L823 HydrophobicContact CZ-CD2 4.43Å; C744-L823 HydrophobicContact CB-CD2 3.62Å; C744-L823 HydrophobicContact CB-CG 4.04Å; A748-L823 HydrophobicContact CB-CD1 3.44Å; A748-L823 VanDerWaalsContact CB-CD1 3.44Å; A748-L823 HydrophobicContact CB-CG 4.03Å; F754-L823 HydrophobicContact CE1-CD1 3.68Å; F754-L823 HydrophobicContact CE2-CD1 4.37Å; F754-L823 HydrophobicContact CZ-CD1 3.6Å; G819-L823 WeakPolarHBondContact O-CB 3.26Å; G819-L823 PolarHBondContact O-N 3.1Å; L820-L823 PolarHBondContact O-N 3.24Å; L823-S825 VanDerWaalsContact C-N 3.31Å; L823-S825 PolarHBondContact O-N 3.37Å; L823-R826 WeakPolarHBondContact O-CB 3.19Å; L823-R826 PolarHBondContact O-N 3.44Å; L823-I827 VanDerWaalsContact O-CG1 3.28Å; L823-I827 WeakPolarHBondContact O-CG1 3.37Å; L823-I827 PolarHBondContact O-N 2.8Å |
| 824 | I | 92.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 173.7 | -69.2 | 170 | 0 | 0 | 0 | 111.2 | L802 L805 T806 I809 L820 E822 I827 Y828 L853 | L802-I824 HydrophobicContact CD2-CG2 4.5Å; L805-I824 HydrophobicContact CB-CD1 4.07Å; T806-I824 WeakPolarHBondContact OG1-CG2 3.33Å; I809-I824 HydrophobicContact CD1-CD1 3.27Å; L820-I824 HydrophobicContact CD1-CD1 4.25Å; L820-I824 HydrophobicContact CD1-CG1 4.49Å; L820-I824 HydrophobicContact CG-CD1 4.23Å; L820-I824 WeakPolarHBondContact O-CG1 3.42Å; L820-I824 PolarHBondContact O-N 2.97Å; E822-I824 VanDerWaalsContact C-N 3.33Å; E822-I824 PolarHBondContact O-N 3.36Å; I824-I827 PolarHBondContact O-N 2.96Å; I824-Y828 HydrophobicContact CG2-CD2 3.71Å; I824-Y828 HydrophobicContact CG2-CE2 3.62Å; I824-Y828 WeakPolarHBondContact O-CD2 3.49Å; I824-Y828 PolarHBondContact O-N 3.18Å; I824-L853 HydrophobicContact CB-CD1 4.49Å; I824-L853 HydrophobicContact CG2-CD1 3.75Å |
| 825 | S | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 178.5 | -55 | 0 | 0 | 0 | 0 | 111 | S821 E822 L823 Y828 L829 N859 G863 | S821-S825 WeakPolarHBondContact O-CB 3.47Å; S821-S825 PolarHBondContact O-N 3.14Å; S821-S825 VanDerWaalsContact O-N 3.1Å; S821-S825 PolarHBondContact O-OG 3.02Å; E822-S825 CarbonylContact O-C 3.52Å; E822-S825 WeakPolarHBondContact O-CA 3.37Å; E822-S825 WeakPolarHBondContact O-CB 3.29Å; E822-S825 PolarHBondContact O-N 3.5Å; L823-S825 VanDerWaalsContact C-N 3.31Å; L823-S825 PolarHBondContact O-N 3.37Å; S825-Y828 PolarHBondContact O-N 3.08Å; S825-L829 PolarHBondContact O-N 3.19Å; S825-N859 PolarHBondContact OG-ND2 2.96Å; S825-G863 WeakPolarHBondContact CB-O 3.31Å; S825-G863 PolarHBondContact OG-O 3.37Å |
| 826 | R | 95.2 | Very high | 87.8 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 170.7 | -72.9 | 176.1 | 179.6 | -96.2 | 2.5 | 111.8 | E755 E822 L823 L829 A830 L866 | E755-R826 IonicContact OE2-NH1 2.96Å; E755-R826 IonicContact OE2-NH2 3.46Å; E822-R826 PolarHBondContact O-N 2.98Å; E822-R826 IonicContact OE1-CZ 3.26Å; E822-R826 VanDerWaalsContact OE1-CZ 3.31Å; E822-R826 IonicContact OE1-NE 3.47Å; E822-R826 PolarHBondContact OE1-NE 3.09Å; E822-R826 IonicContact OE1-NH2 2.66Å; E822-R826 PolarHBondContact OE1-NH2 3.25Å; L823-R826 WeakPolarHBondContact O-CB 3.19Å; L823-R826 PolarHBondContact O-N 3.44Å; R826-L829 PolarHBondContact O-N 3.38Å; R826-A830 PolarHBondContact O-N 3.24Å; R826-L866 HydrophobicContact CG-CD1 3.46Å; R826-L866 VanDerWaalsContact CG-CD1 3.46Å |
| 827 | I | 95.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 179.2 | -60.5 | 160.8 | 0 | 0 | 0 | 111.4 | C744 L747 A748 T751 S753 L798 L802 L823 I824 L829 A830 C831 | C744-I827 HydrophobicContact CB-CD1 4.44Å; L747-I827 HydrophobicContact CB-CD1 3.92Å; A748-I827 HydrophobicContact CB-CD1 4.11Å; A748-I827 HydrophobicContact CB-CG1 3.93Å; T751-I827 HydrophobicContact CG2-CG2 4.33Å; S753-I827 WeakPolarHBondContact OG-CA 3.38Å; L798-I827 HydrophobicContact CD2-CG2 4.42Å; L802-I827 HydrophobicContact CD1-CB 4.46Å; L802-I827 HydrophobicContact CD1-CG2 3.67Å; L802-I827 HydrophobicContact CD2-CB 4.27Å; L802-I827 HydrophobicContact CD2-CD1 4.15Å; L802-I827 HydrophobicContact CD2-CG2 3.95Å; L802-I827 HydrophobicContact CG-CG2 4.42Å; L823-I827 VanDerWaalsContact O-CG1 3.28Å; L823-I827 WeakPolarHBondContact O-CG1 3.37Å; L823-I827 PolarHBondContact O-N 2.8Å; I824-I827 PolarHBondContact O-N 2.96Å; I827-L829 VanDerWaalsContact C-N 3.29Å; I827-L829 PolarHBondContact O-N 2.99Å; I827-A830 PolarHBondContact O-N 3.01Å; I827-C831 WeakPolarHBondContact O-CB 3.38Å; I827-C831 PolarHBondContact O-N 3.43Å; I827-C831 PolarHBondContact O-SG 3.23Å |
| 828 | Y | 95.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 176.4 | -86.5 | -60 | 0 | 0 | 0 | 112.3 | L802 Y803 I824 S825 C831 S832 A846 A849 L850 L853 | L802-Y828 VanDerWaalsContact C-OH 3.25Å; L802-Y828 HydrophobicContact CB-CE1 3.95Å; L802-Y828 HydrophobicContact CB-CE2 4.02Å; L802-Y828 WeakPolarHBondContact CB-OH 3.03Å; L802-Y828 HydrophobicContact CD1-CD1 4.1Å; L802-Y828 HydrophobicContact CD1-CE1 3.99Å; L802-Y828 HydrophobicContact CD1-CG 4.49Å; Y803-Y828 WeakPolarHBondContact CA-OH 3.44Å; Y803-Y828 PolarHBondContact N-OH 2.95Å; Y803-Y828 VanDerWaalsContact N-OH 3.1Å; I824-Y828 HydrophobicContact CG2-CD2 3.71Å; I824-Y828 HydrophobicContact CG2-CE2 3.62Å; I824-Y828 WeakPolarHBondContact O-CD2 3.49Å; I824-Y828 PolarHBondContact O-N 3.18Å; S825-Y828 PolarHBondContact O-N 3.08Å; Y828-C831 PolarHBondContact O-N 3.06Å; Y828-S832 WeakPolarHBondContact O-CB 3.44Å; Y828-S832 PolarHBondContact O-N 3.27Å; Y828-S832 PolarHBondContact O-OG 2.89Å; Y828-A846 HydrophobicContact CD1-CB 4.21Å; Y828-A846 HydrophobicContact CE1-CB 3.66Å; Y828-A849 HydrophobicContact CE2-CB 4.21Å; Y828-L850 HydrophobicContact CD1-CD1 4.5Å; Y828-L850 HydrophobicContact CD1-CG 4.48Å; Y828-L850 HydrophobicContact CD2-CD2 3.71Å; Y828-L850 HydrophobicContact CD2-CG 4.15Å; Y828-L850 HydrophobicContact CE2-CD2 4.5Å; Y828-L850 HydrophobicContact CG-CD1 4.41Å; Y828-L850 HydrophobicContact CG-CD2 3.77Å; Y828-L850 HydrophobicContact CG-CG 4.1Å; Y828-L853 HydrophobicContact CD2-CD1 4.22Å; Y828-L853 HydrophobicContact CE2-CD1 4.24Å |
| 829 | L | 95.6 | Very high | 91.3 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 177.1 | -176.7 | 64.8 | 0 | 0 | 0 | 111.1 | S825 R826 I827 C831 S832 E833 L866 Q869 A870 R873 | S825-L829 PolarHBondContact O-N 3.19Å; R826-L829 PolarHBondContact O-N 3.38Å; I827-L829 VanDerWaalsContact C-N 3.29Å; I827-L829 PolarHBondContact O-N 2.99Å; L829-C831 VanDerWaalsContact C-N 3.34Å; L829-C831 PolarHBondContact O-N 3.37Å; L829-S832 PolarHBondContact O-N 2.68Å; L829-S832 PolarHBondContact O-OG 3.15Å; L829-E833 PolarHBondContact O-N 3.39Å; L829-L866 HydrophobicContact CD2-CB 4.32Å; L829-L866 HydrophobicContact CD2-CD2 3.49Å; L829-L866 VanDerWaalsContact CD2-CD2 3.49Å; L829-L866 HydrophobicContact CD2-CG 4.46Å; L829-Q869 HydrophobicContact CD1-CB 3.92Å; L829-Q869 HydrophobicContact CD1-CG 3.73Å; L829-A870 HydrophobicContact CB-CB 4.42Å; L829-A870 HydrophobicContact CD1-CB 4.28Å; L829-R873 VanDerWaalsContact CD1-NH1 3.3Å; L829-R873 PolarHBondContact O-NH1 3.49Å |
| 830 | A | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S753 R790 R826 I827 S832 E833 | S753-A830 WeakPolarHBondContact OG-CB 3.24Å; R790-A830 PolarHBondContact NH1-O 2.8Å; R826-A830 PolarHBondContact O-N 3.24Å; I827-A830 PolarHBondContact O-N 3.01Å; A830-S832 VanDerWaalsContact C-N 3.32Å; A830-S832 PolarHBondContact O-N 3.04Å; A830-E833 PolarHBondContact O-N 3.1Å |
| 831 | C | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.7 | -32.5 | 174.7 | -69.5 | 0 | 0 | 0 | 0 | 112.8 | I794 I827 Y828 L829 E833 L834 L841 | I794-C831 HydrophobicContact CD1-CB 3.84Å; I794-C831 HydrophobicContact CG1-CB 4.4Å; I827-C831 WeakPolarHBondContact O-CB 3.38Å; I827-C831 PolarHBondContact O-N 3.43Å; I827-C831 PolarHBondContact O-SG 3.23Å; Y828-C831 PolarHBondContact O-N 3.06Å; L829-C831 VanDerWaalsContact C-N 3.34Å; L829-C831 PolarHBondContact O-N 3.37Å; C831-E833 VanDerWaalsContact C-N 3.25Å; C831-E833 PolarHBondContact O-N 3.06Å; C831-L834 PolarHBondContact O-N 3.37Å; C831-L841 HydrophobicContact CB-CD1 4.02Å; C831-L841 HydrophobicContact CB-CD2 4.13Å |
| 832 | S | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.1 | -11.3 | -179.9 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | Y828 L829 A830 L834 R838 R873 | Y828-S832 WeakPolarHBondContact O-CB 3.44Å; Y828-S832 PolarHBondContact O-N 3.27Å; Y828-S832 PolarHBondContact O-OG 2.89Å; L829-S832 PolarHBondContact O-N 2.68Å; L829-S832 PolarHBondContact O-OG 3.15Å; A830-S832 VanDerWaalsContact C-N 3.32Å; A830-S832 PolarHBondContact O-N 3.04Å; S832-L834 VanDerWaalsContact C-N 3.26Å; S832-L834 PolarHBondContact O-N 3.28Å; S832-R838 VanDerWaalsContact O-CZ 3.29Å; S832-R838 PolarHBondContact O-NE 3.19Å; S832-R838 PolarHBondContact O-NH2 3.41Å; S832-R873 WeakPolarHBondContact OG-CD 3.14Å |
| 833 | E | 91.7 | Very high | 92.1 | Very high | 92 Ų | 92 | 38 Ų | 38 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -34.1 | 173.1 | -70.9 | 178.8 | -177.7 | 0 | 0 | 112 | R790 L829 A830 C831 V835 R873 | R790-E833 IonicContact CZ-OE2 3.96Å; R790-E833 IonicContact NH1-OE2 3.16Å; R790-E833 PolarHBondContact NH1-OE2 3.48Å; R790-E833 IonicContact NH2-OE2 3.47Å; L829-E833 PolarHBondContact O-N 3.39Å; A830-E833 PolarHBondContact O-N 3.1Å; C831-E833 VanDerWaalsContact C-N 3.25Å; C831-E833 PolarHBondContact O-N 3.06Å; E833-V835 PolarHBondContact O-N 2.85Å; E833-V835 VanDerWaalsContact O-N 3.09Å; E833-R873 IonicContact OE1-NH1 3.59Å; E833-R873 PolarHBondContact OE1-NH1 3.05Å |
| 834 | L | 91.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | trans | -77 | 96.7 | 176.6 | -65.3 | 175.4 | 0 | 0 | 0 | 110.4 | Q787 R790 Q791 I794 C831 S832 E836 C837 R838 | Q787-L834 HydrophobicContact CB-CD2 4Å; Q787-L834 HydrophobicContact CG-CD2 3.94Å; R790-L834 HydrophobicContact CB-CD1 3.51Å; R790-L834 HydrophobicContact CB-CG 4.5Å; Q791-L834 HydrophobicContact CB-CD1 4.21Å; I794-L834 HydrophobicContact CD1-CD1 4.13Å; C831-L834 PolarHBondContact O-N 3.37Å; S832-L834 VanDerWaalsContact C-N 3.26Å; S832-L834 PolarHBondContact O-N 3.28Å; L834-E836 PolarHBondContact O-N 2.81Å; L834-C837 HydrophobicContact CB-CB 3.92Å; L834-C837 PolarHBondContact O-N 3.45Å; L834-R838 PolarHBondContact O-N 3.17Å | ||
| 835 | V | 90.3 | Very high | 92 | Very high | 92 Ų | 92 | 40.5 Ų | 40.5 | 56% | 0.558 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -51.3 | -43.3 | -179.3 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | E833 C837 R838 T877 | E833-V835 PolarHBondContact O-N 2.85Å; E833-V835 VanDerWaalsContact O-N 3.09Å; V835-C837 PolarHBondContact O-N 3.34Å; V835-R838 WeakPolarHBondContact O-CB 3.47Å; V835-R838 PolarHBondContact O-N 3.45Å; V835-T877 HydrophobicContact CG1-CG2 4.14Å |
| 836 | E | 88.6 | Confident | 91.8 | Very high | 168 Ų | 168 | 40.5 Ų | 40.5 | 79% | 0.785 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -63.4 | -27.5 | -179.9 | -60.9 | 168 | -171.2 | 0 | 0 | 113.5 | L834 | L834-E836 PolarHBondContact O-N 2.81Š|
| 837 | C | 88.4 | Confident | 91.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -90.4 | -12.9 | -179.2 | -90.1 | 0 | 0 | 0 | 0 | 114 | Q791 I794 L834 V835 G839 K840 L841 | Q791-C837 PolarHBondContact OE1-SG 2.91Å; I794-C837 HydrophobicContact CD1-CB 3.67Å; I794-C837 HydrophobicContact CG2-CB 4.06Å; L834-C837 HydrophobicContact CB-CB 3.92Å; L834-C837 PolarHBondContact O-N 3.45Å; V835-C837 PolarHBondContact O-N 3.34Å; C837-G839 PolarHBondContact O-N 3.39Å; C837-K840 PolarHBondContact O-N 2.9Å; C837-L841 PolarHBondContact O-N 3.39Å |
| 838 | R | 92.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.6 | -36.8 | -176.8 | -67.2 | -178.4 | -175.6 | 178.4 | 5.5 | 112.1 | S832 L834 V835 K840 L841 V842 R873 L874 T877 | S832-R838 VanDerWaalsContact O-CZ 3.29Å; S832-R838 PolarHBondContact O-NE 3.19Å; S832-R838 PolarHBondContact O-NH2 3.41Å; L834-R838 PolarHBondContact O-N 3.17Å; V835-R838 WeakPolarHBondContact O-CB 3.47Å; V835-R838 PolarHBondContact O-N 3.45Å; R838-K840 PolarHBondContact O-N 2.98Å; R838-L841 WeakPolarHBondContact O-CB 3.35Å; R838-L841 PolarHBondContact O-N 3.14Å; R838-V842 WeakPolarHBondContact O-CG2 3.38Å; R838-V842 PolarHBondContact O-N 3.33Å; R838-R873 PolarHBondContact NH1-O 3.33Å; R838-L874 HydrophobicContact CB-CD2 3.88Å; R838-L874 HydrophobicContact CG-CD2 4.08Å; R838-T877 WeakPolarHBondContact CD-OG1 3.4Å |
| 839 | G | 89.6 | Confident | 91 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C837 V842 Q843 | C837-G839 PolarHBondContact O-N 3.39Å; G839-V842 PolarHBondContact O-N 3.06Å; G839-Q843 VanDerWaalsContact O-CG 3.28Å; G839-Q843 WeakPolarHBondContact O-CG 3.36Å; G839-Q843 PolarHBondContact O-N 2.86Å |
| 840 | K | 90.3 | Very high | 90.9 | Very high | 89 Ų | 89 | 43 Ų | 43 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70 | -36.3 | 178.1 | -64.5 | -173.5 | -179.5 | -173.9 | 0 | 112.3 | I794 N795 C837 R838 Q843 S844 | I794-K840 HydrophobicContact CG2-CB 4.11Å; I794-K840 HydrophobicContact CG2-CD 4.27Å; N795-K840 PolarHBondContact OD1-NZ 3.19Å; C837-K840 PolarHBondContact O-N 2.9Å; R838-K840 PolarHBondContact O-N 2.98Å; K840-Q843 PolarHBondContact O-N 2.82Å; K840-S844 WeakPolarHBondContact O-CB 3.46Å; K840-S844 PolarHBondContact O-N 3.46Å; K840-S844 VanDerWaalsContact O-N 3.09Å; K840-S844 PolarHBondContact O-OG 3.29Å |
| 841 | L | 92.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -48.2 | 172.5 | -66.5 | 179.1 | 0 | 0 | 0 | 110.6 | A799 C831 C837 R838 S844 G845 A846 L874 | A799-L841 HydrophobicContact CB-CD2 3.78Å; C831-L841 HydrophobicContact CB-CD1 4.02Å; C831-L841 HydrophobicContact CB-CD2 4.13Å; C837-L841 PolarHBondContact O-N 3.39Å; R838-L841 WeakPolarHBondContact O-CB 3.35Å; R838-L841 PolarHBondContact O-N 3.14Å; L841-S844 PolarHBondContact O-N 3.16Å; L841-G845 PolarHBondContact O-N 3.41Å; L841-A846 HydrophobicContact CB-CB 3.9Å; L841-A846 WeakPolarHBondContact O-CB 3.5Å; L841-A846 PolarHBondContact O-N 2.91Å; L841-L874 HydrophobicContact CB-CD2 4.29Å; L841-L874 HydrophobicContact CD1-CD2 4.28Å |
| 842 | V | 90.9 | Very high | 90.5 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 178 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | R838 G839 S844 G845 L874 A878 T883 | R838-V842 WeakPolarHBondContact O-CG2 3.38Å; R838-V842 PolarHBondContact O-N 3.33Å; G839-V842 PolarHBondContact O-N 3.06Å; V842-S844 PolarHBondContact O-N 3.33Å; V842-G845 PolarHBondContact O-N 3.12Å; V842-L874 HydrophobicContact CG2-CD1 4.28Å; V842-L874 HydrophobicContact CG2-CD2 4.12Å; V842-A878 HydrophobicContact CG2-CB 4.39Å; V842-T883 HydrophobicContact CB-CG2 4.27Å; V842-T883 HydrophobicContact CG1-CG2 3.61Å; V842-T883 HydrophobicContact CG2-CG2 3.64Å |
| 843 | Q | 89.7 | Confident | 90.4 | Very high | 164 Ų | 164 | 48 Ų | 48 | 77% | 0.766 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -58.6 | -32.8 | 178.5 | -73.5 | 171 | 6.8 | 0 | 0 | 113 | G839 K840 G845 | G839-Q843 VanDerWaalsContact O-CG 3.28Å; G839-Q843 WeakPolarHBondContact O-CG 3.36Å; G839-Q843 PolarHBondContact O-N 2.86Å; K840-Q843 PolarHBondContact O-N 2.82Å; Q843-G845 PolarHBondContact O-N 2.89Å |
| 844 | S | 89.6 | Confident | 90.4 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 1.2 | 178.2 | -53 | 0 | 0 | 0 | 0 | 113.8 | A799 Y803 K840 L841 V842 | A799-S844 VanDerWaalsContact CB-OG 3.29Å; A799-S844 WeakPolarHBondContact CB-OG 3.5Å; Y803-S844 WeakPolarHBondContact CB-O 3.47Å; K840-S844 WeakPolarHBondContact O-CB 3.46Å; K840-S844 PolarHBondContact O-N 3.46Å; K840-S844 VanDerWaalsContact O-N 3.09Å; K840-S844 PolarHBondContact O-OG 3.29Å; L841-S844 PolarHBondContact O-N 3.16Å; V842-S844 PolarHBondContact O-N 3.33Å |
| 845 | G | 89.3 | Confident | 90.2 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 15.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y803 L841 V842 Q843 G847 K848 A849 | Y803-G845 WeakPolarHBondContact CD2-O 3.29Å; L841-G845 PolarHBondContact O-N 3.41Å; V842-G845 PolarHBondContact O-N 3.12Å; Q843-G845 PolarHBondContact O-N 2.89Å; G845-G847 PolarHBondContact O-N 3.41Å; G845-K848 PolarHBondContact O-N 3.25Å; G845-K848 VanDerWaalsContact O-N 3.08Å; G845-A849 PolarHBondContact O-N 2.96Å |
| 846 | A | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55 | -36.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y828 L841 K848 A849 L850 L874 | Y828-A846 HydrophobicContact CD1-CB 4.21Å; Y828-A846 HydrophobicContact CE1-CB 3.66Å; L841-A846 HydrophobicContact CB-CB 3.9Å; L841-A846 WeakPolarHBondContact O-CB 3.5Å; L841-A846 PolarHBondContact O-N 2.91Å; A846-K848 VanDerWaalsContact C-N 3.33Å; A846-K848 PolarHBondContact O-N 3.18Å; A846-A849 PolarHBondContact O-N 2.9Å; A846-L850 WeakPolarHBondContact O-CB 3.38Å; A846-L850 WeakPolarHBondContact O-CG 3.5Å; A846-L850 PolarHBondContact O-N 3.03Å; A846-L874 HydrophobicContact CB-CD1 4.25Å |
| 847 | G | 89.7 | Confident | 89.1 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | G845 L851 F884 | G845-G847 PolarHBondContact O-N 3.41Å; G847-L851 VanDerWaalsContact O-CB 3.31Å; G847-L851 WeakPolarHBondContact O-CB 3.36Å; G847-L851 PolarHBondContact O-N 3.37Å; G847-F884 VanDerWaalsContact CA-CE1 3.43Å |
| 848 | K | 88.7 | Confident | 88.3 | Confident | 109 Ų | 109 | 47 Ų | 47 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.5 | -39.2 | 177.1 | -178.6 | -174.7 | 170.7 | -162.3 | 0 | 111.9 | Y803 G845 A846 K852 | Y803-K848 HydrophobicContact CE2-CB 4.4Å; Y803-K848 HydrophobicContact CE2-CD 4.27Å; Y803-K848 PolarHBondContact OH-NZ 3.36Å; G845-K848 PolarHBondContact O-N 3.25Å; G845-K848 VanDerWaalsContact O-N 3.08Å; A846-K848 VanDerWaalsContact C-N 3.33Å; A846-K848 PolarHBondContact O-N 3.18Å; K848-K852 PolarHBondContact O-N 3.11Å |
| 849 | A | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y803 T806 M807 Y828 G845 A846 L851 K852 L853 | Y803-A849 HydrophobicContact CD2-CB 3.92Å; T806-A849 HydrophobicContact CG2-CB 3.84Å; M807-A849 HydrophobicContact CE-CB 4.24Å; Y828-A849 HydrophobicContact CE2-CB 4.21Å; G845-A849 PolarHBondContact O-N 2.96Å; A846-A849 PolarHBondContact O-N 2.9Å; A849-L851 PolarHBondContact O-N 2.65Å; A849-K852 VanDerWaalsContact O-CB 3.32Å; A849-K852 WeakPolarHBondContact O-CB 3.39Å; A849-K852 PolarHBondContact O-N 3.24Å; A849-K852 VanDerWaalsContact O-N 3.1Å; A849-L853 PolarHBondContact O-N 2.99Å |
| 850 | L | 93.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | 179.6 | -74.4 | 170.1 | 0 | 0 | 0 | 113.2 | Y828 A846 K852 L853 S854 A867 A870 L871 L874 | Y828-L850 HydrophobicContact CD1-CD1 4.5Å; Y828-L850 HydrophobicContact CD1-CG 4.48Å; Y828-L850 HydrophobicContact CD2-CD2 3.71Å; Y828-L850 HydrophobicContact CD2-CG 4.15Å; Y828-L850 HydrophobicContact CE2-CD2 4.5Å; Y828-L850 HydrophobicContact CG-CD1 4.41Å; Y828-L850 HydrophobicContact CG-CD2 3.77Å; Y828-L850 HydrophobicContact CG-CG 4.1Å; A846-L850 WeakPolarHBondContact O-CB 3.38Å; A846-L850 WeakPolarHBondContact O-CG 3.5Å; A846-L850 PolarHBondContact O-N 3.03Å; L850-K852 PolarHBondContact O-N 3.44Å; L850-L853 PolarHBondContact O-N 3Å; L850-S854 WeakPolarHBondContact O-CB 3.48Å; L850-S854 PolarHBondContact O-N 3.25Å; L850-S854 PolarHBondContact O-OG 2.95Å; L850-A867 HydrophobicContact CD2-CB 4.05Å; L850-A870 HydrophobicContact CD1-CB 3.75Å; L850-A870 HydrophobicContact CD2-CB 3.87Å; L850-A870 HydrophobicContact CG-CB 4.47Å; L850-L871 HydrophobicContact CB-CD1 4.27Å; L850-L871 HydrophobicContact CB-CD2 3.5Å; L850-L871 HydrophobicContact CB-CG 3.65Å; L850-L871 HydrophobicContact CD1-CD2 4.25Å; L850-L871 HydrophobicContact CD1-CG 4.43Å; L850-L874 HydrophobicContact CD1-CD1 3.83Å |
| 851 | L | 90.9 | Very high | 87.7 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -31.9 | 173.4 | -171.5 | 64.4 | 0 | 0 | 0 | 112 | G847 A849 S854 K855 L871 E891 L892 P895 | G847-L851 VanDerWaalsContact O-CB 3.31Å; G847-L851 WeakPolarHBondContact O-CB 3.36Å; G847-L851 PolarHBondContact O-N 3.37Å; A849-L851 PolarHBondContact O-N 2.65Å; L851-S854 WeakPolarHBondContact CA-OG 3.37Å; L851-S854 PolarHBondContact O-OG 3.17Å; L851-S854 VanDerWaalsContact O-OG 3.08Å; L851-K855 WeakPolarHBondContact O-CG 3.44Å; L851-L871 HydrophobicContact CD1-CD1 4.38Å; L851-E891 HydrophobicContact CD1-CB 4.17Å; L851-E891 HydrophobicContact CD2-CB 3.92Å; L851-L892 HydrophobicContact CD1-CD2 4.17Å; L851-P895 HydrophobicContact CD1-CG 4.29Å |
| 852 | K | 88.6 | Confident | 87.5 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.6 | -45.3 | 174.6 | -162.2 | 173.1 | -166.4 | 176.2 | 0 | 111.3 | M807 A810 K848 A849 L850 S854 K855 S856 | M807-K852 HydrophobicContact CE-CD 3.93Å; A810-K852 HydrophobicContact CB-CD 3.94Å; K848-K852 PolarHBondContact O-N 3.11Å; A849-K852 VanDerWaalsContact O-CB 3.32Å; A849-K852 WeakPolarHBondContact O-CB 3.39Å; A849-K852 PolarHBondContact O-N 3.24Å; A849-K852 VanDerWaalsContact O-N 3.1Å; L850-K852 PolarHBondContact O-N 3.44Å; K852-S854 VanDerWaalsContact C-N 3.35Å; K852-S854 PolarHBondContact O-N 3.34Å; K852-K855 PolarHBondContact O-N 3.45Å; K852-S856 VanDerWaalsContact O-CB 3.23Å; K852-S856 WeakPolarHBondContact O-CB 3.27Å; K852-S856 PolarHBondContact O-N 3.19Å |
| 853 | L | 91.2 | Very high | 87.5 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 179.9 | -71.7 | 169.4 | 0 | 0 | 0 | 113.3 | T806 I824 Y828 A849 L850 K855 N859 A867 | T806-L853 HydrophobicContact CG2-CD1 3.79Å; T806-L853 HydrophobicContact CG2-CD2 3.99Å; T806-L853 HydrophobicContact CG2-CG 3.67Å; I824-L853 HydrophobicContact CB-CD1 4.49Å; I824-L853 HydrophobicContact CG2-CD1 3.75Å; Y828-L853 HydrophobicContact CD2-CD1 4.22Å; Y828-L853 HydrophobicContact CE2-CD1 4.24Å; A849-L853 PolarHBondContact O-N 2.99Å; L850-L853 PolarHBondContact O-N 3Å; L853-K855 VanDerWaalsContact C-N 3.31Å; L853-K855 PolarHBondContact O-N 2.9Å; L853-N859 PolarHBondContact O-ND2 2.96Å; L853-A867 HydrophobicContact CB-CB 3.89Å |
| 854 | S | 91.5 | Very high | 87.7 | Confident | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -23.3 | 176.8 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | L850 L851 K852 S868 | L850-S854 WeakPolarHBondContact O-CB 3.48Å; L850-S854 PolarHBondContact O-N 3.25Å; L850-S854 PolarHBondContact O-OG 2.95Å; L851-S854 WeakPolarHBondContact CA-OG 3.37Å; L851-S854 PolarHBondContact O-OG 3.17Å; L851-S854 VanDerWaalsContact O-OG 3.08Å; K852-S854 VanDerWaalsContact C-N 3.35Å; K852-S854 PolarHBondContact O-N 3.34Å; S854-S868 WeakPolarHBondContact CB-OG 3.25Å |
| 855 | K | 86.5 | Confident | 87.9 | Confident | 88 Ų | 88 | 42 Ų | 42 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -108.2 | -5.8 | -178.8 | -62.4 | -179.7 | -177.5 | -174.9 | 0 | 114.2 | L851 K852 L853 E891 | L851-K855 WeakPolarHBondContact O-CG 3.44Å; K852-K855 PolarHBondContact O-N 3.45Å; L853-K855 VanDerWaalsContact C-N 3.31Å; L853-K855 PolarHBondContact O-N 2.9Å; K855-E891 WeakPolarHBondContact CE-O 3.46Å; K855-E891 PolarHBondContact NZ-O 3.47Å; K855-E891 IonicContact NZ-OE2 2.81Å; K855-E891 PolarHBondContact NZ-OE2 3.47Å |
| 856 | S | 80.4 | Confident | 88.2 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | trans | -76 | 125.8 | -172.8 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | K852 F858 N859 K864 | K852-S856 VanDerWaalsContact O-CB 3.23Å; K852-S856 WeakPolarHBondContact O-CB 3.27Å; K852-S856 PolarHBondContact O-N 3.19Å; S856-F858 PolarHBondContact O-N 3.27Å; S856-F858 VanDerWaalsContact O-N 3.17Å; S856-F858 WeakPolarHBondContact OG-CB 3.37Å; S856-F858 PolarHBondContact OG-N 2.97Å; S856-F858 VanDerWaalsContact OG-N 3.16Å; S856-N859 PolarHBondContact O-N 3.05Å; S856-N859 VanDerWaalsContact O-N 3.11Å; S856-K864 WeakPolarHBondContact O-CE 3.32Å | ||
| 857 | D | 75.7 | Confident | 88.4 | Confident | 133 Ų | 133 | 42.1 Ų | 42.1 | 71% | 0.711 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15 | 169.6 | -60.7 | -35.4 | 0 | 0 | 0 | 112.4 | N859 | D857-N859 VanDerWaalsContact C-N 3.34Š|
| 858 | F | 73.2 | Confident | 88.7 | Confident | 95 Ų | 95 | 42 Ų | 42 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.8 | 175.9 | -49.4 | -71.8 | 0 | 0 | 0 | 113.6 | Q818 S821 S856 | Q818-F858 VanDerWaalsContact CA-O 3.27Å; Q818-F858 WeakPolarHBondContact CA-O 3.47Å; Q818-F858 WeakPolarHBondContact CG-O 3.23Å; S821-F858 PolarHBondContact OG-O 3.21Å; S856-F858 PolarHBondContact O-N 3.27Å; S856-F858 VanDerWaalsContact O-N 3.17Å; S856-F858 WeakPolarHBondContact OG-CB 3.37Å; S856-F858 PolarHBondContact OG-N 2.97Å; S856-F858 VanDerWaalsContact OG-N 3.16Å |
| 859 | N | 83.6 | Confident | 89.1 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -106.5 | 149.6 | 173.4 | -159 | 4.6 | 0 | 0 | 0 | 109.9 | S821 E822 S825 L853 S856 D857 G863 K864 | S821-N859 VanDerWaalsContact C-OD1 3.27Å; S821-N859 WeakPolarHBondContact CB-OD1 3.25Å; E822-N859 WeakPolarHBondContact CA-OD1 3.06Å; E822-N859 PolarHBondContact N-OD1 3.08Å; E822-N859 VanDerWaalsContact N-OD1 3.11Å; S825-N859 PolarHBondContact OG-ND2 2.96Å; L853-N859 PolarHBondContact O-ND2 2.96Å; S856-N859 PolarHBondContact O-N 3.05Å; S856-N859 VanDerWaalsContact O-N 3.11Å; D857-N859 VanDerWaalsContact C-N 3.34Å; N859-G863 PolarHBondContact ND2-O 3.24Å; N859-K864 HydrophobicContact CB-CG 4.05Å; N859-K864 PolarHBondContact ND2-N 3.37Å; N859-K864 WeakPolarHBondContact O-CE 3.45Å |
| 860 | T | 86.8 | Confident | 89.3 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 19% | 0.19 | 19% | 0.191 | C | C | . | . | trans | -68.1 | 157.8 | 172.1 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | Q818 E822 T862 G863 K864 | Q818-T860 HydrophobicContact CB-CG2 4.04Å; E822-T860 HydrophobicContact CB-CG2 4.47Å; E822-T860 WeakPolarHBondContact CB-OG1 3.29Å; E822-T860 WeakPolarHBondContact OE2-CB 3.48Å; E822-T860 WeakPolarHBondContact OE2-CG2 3.33Å; E822-T860 PolarHBondContact OE2-OG1 3.09Å; T860-T862 VanDerWaalsContact C-N 3.26Å; T860-T862 PolarHBondContact O-N 2.88Å; T860-G863 CarbonylContact O-C 3.21Å; T860-G863 WeakPolarHBondContact O-CA 3.42Å; T860-G863 PolarHBondContact O-N 3.11Å; T860-G863 PolarHBondContact OG1-N 3.01Å; T860-K864 WeakPolarHBondContact O-CG 3.48Å; T860-K864 PolarHBondContact O-N 3.25Å | ||
| 861 | D | 87.7 | Confident | 89.4 | Confident | 113 Ų | 113 | 37.1 Ų | 37.1 | 60% | 0.604 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65.2 | -33.9 | 178.9 | -62.7 | -37.3 | 0 | 0 | 0 | 111.7 | K864 T865 | D861-K864 PolarHBondContact O-N 2.87Å; D861-K864 IonicContact OD1-NZ 2.91Å; D861-K864 PolarHBondContact OD1-NZ 3.35Å; D861-T865 PolarHBondContact O-N 3.3Å; D861-T865 PolarHBondContact O-OG1 3.42Å |
| 862 | T | 89.3 | Confident | 89.6 | Confident | 75 Ų | 75 | 36.5 Ų | 36.5 | 46% | 0.46 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.8 | -50.8 | 166.9 | -46 | 0 | 0 | 0 | 0 | 110.7 | T860 K864 T865 L866 | T860-T862 VanDerWaalsContact C-N 3.26Å; T860-T862 PolarHBondContact O-N 2.88Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 3.1Å; T862-T865 WeakPolarHBondContact O-CB 3.47Å; T862-T865 PolarHBondContact O-N 3.07Å; T862-T865 VanDerWaalsContact O-N 3.16Å; T862-L866 HydrophobicContact CG2-CD1 4.22Å; T862-L866 VanDerWaalsContact O-CG 3.3Å; T862-L866 WeakPolarHBondContact O-CG 3.27Å; T862-L866 PolarHBondContact O-N 3.38Å |
| 863 | G | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S825 N859 T860 L866 A867 | S825-G863 WeakPolarHBondContact CB-O 3.31Å; S825-G863 PolarHBondContact OG-O 3.37Å; N859-G863 PolarHBondContact ND2-O 3.24Å; T860-G863 CarbonylContact O-C 3.21Å; T860-G863 WeakPolarHBondContact O-CA 3.42Å; T860-G863 PolarHBondContact O-N 3.11Å; T860-G863 PolarHBondContact OG1-N 3.01Å; G863-L866 PolarHBondContact O-N 3.38Å; G863-A867 WeakPolarHBondContact O-CB 3.47Å; G863-A867 PolarHBondContact O-N 3.17Å |
| 864 | K | 92.9 | Very high | 90 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 174.9 | -67.6 | 173.1 | -164.5 | 155.8 | 0 | 111.5 | S856 N859 T860 D861 T862 A867 S868 | S856-K864 WeakPolarHBondContact O-CE 3.32Å; N859-K864 HydrophobicContact CB-CG 4.05Å; N859-K864 PolarHBondContact ND2-N 3.37Å; N859-K864 WeakPolarHBondContact O-CE 3.45Å; T860-K864 WeakPolarHBondContact O-CG 3.48Å; T860-K864 PolarHBondContact O-N 3.25Å; D861-K864 PolarHBondContact O-N 2.87Å; D861-K864 IonicContact OD1-NZ 2.91Å; D861-K864 PolarHBondContact OD1-NZ 3.35Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 3.1Å; K864-A867 PolarHBondContact O-N 3.27Å; K864-S868 WeakPolarHBondContact O-CB 3.43Å; K864-S868 PolarHBondContact O-N 2.87Å; K864-S868 PolarHBondContact O-OG 3.45Å |
| 865 | T | 94.4 | Very high | 90 | Very high | 20 Ų | 20 | 32 Ų | 32 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -47.8 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | D861 T862 A867 S868 Q869 H898 L899 | D861-T865 PolarHBondContact O-N 3.3Å; D861-T865 PolarHBondContact O-OG1 3.42Å; T862-T865 WeakPolarHBondContact O-CB 3.47Å; T862-T865 PolarHBondContact O-N 3.07Å; T862-T865 VanDerWaalsContact O-N 3.16Å; T865-A867 PolarHBondContact O-N 3.01Å; T865-S868 WeakPolarHBondContact O-CB 3.4Å; T865-S868 PolarHBondContact O-N 3.04Å; T865-S868 VanDerWaalsContact O-N 3.16Å; T865-Q869 PolarHBondContact O-N 3.09Å; T865-H898 PolarHBondContact OG1-NE2 3.13Å; T865-L899 HydrophobicContact CG2-CD2 4.05Å |
| 866 | L | 94.7 | Very high | 90.3 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 12% | 0.115 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.3 | -61.9 | 172.3 | 0 | 0 | 0 | 112.4 | R826 L829 T862 G863 S868 Q869 A870 | R826-L866 HydrophobicContact CG-CD1 3.46Å; R826-L866 VanDerWaalsContact CG-CD1 3.46Å; L829-L866 HydrophobicContact CD2-CB 4.32Å; L829-L866 HydrophobicContact CD2-CD2 3.49Å; L829-L866 VanDerWaalsContact CD2-CD2 3.49Å; L829-L866 HydrophobicContact CD2-CG 4.46Å; T862-L866 HydrophobicContact CG2-CD1 4.22Å; T862-L866 VanDerWaalsContact O-CG 3.3Å; T862-L866 WeakPolarHBondContact O-CG 3.27Å; T862-L866 PolarHBondContact O-N 3.38Å; G863-L866 PolarHBondContact O-N 3.38Å; L866-S868 VanDerWaalsContact C-N 3.31Å; L866-S868 PolarHBondContact O-N 2.61Å; L866-Q869 PolarHBondContact O-N 3.09Å; L866-A870 PolarHBondContact O-N 3.15Å |
| 867 | A | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L850 L853 G863 K864 T865 A870 L871 | L850-A867 HydrophobicContact CD2-CB 4.05Å; L853-A867 HydrophobicContact CB-CB 3.89Å; G863-A867 WeakPolarHBondContact O-CB 3.47Å; G863-A867 PolarHBondContact O-N 3.17Å; K864-A867 PolarHBondContact O-N 3.27Å; T865-A867 PolarHBondContact O-N 3.01Å; A867-A870 PolarHBondContact O-N 2.99Å; A867-L871 WeakPolarHBondContact O-CG 3.48Å; A867-L871 PolarHBondContact O-N 3.16Å |
| 868 | S | 96.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | S854 K864 T865 L866 A870 L871 A872 P895 | S854-S868 WeakPolarHBondContact CB-OG 3.25Å; K864-S868 WeakPolarHBondContact O-CB 3.43Å; K864-S868 PolarHBondContact O-N 2.87Å; K864-S868 PolarHBondContact O-OG 3.45Å; T865-S868 WeakPolarHBondContact O-CB 3.4Å; T865-S868 PolarHBondContact O-N 3.04Å; T865-S868 VanDerWaalsContact O-N 3.16Å; L866-S868 VanDerWaalsContact C-N 3.31Å; L866-S868 PolarHBondContact O-N 2.61Å; S868-A870 PolarHBondContact O-N 2.98Å; S868-L871 WeakPolarHBondContact O-CB 3.43Å; S868-L871 PolarHBondContact O-N 3.41Å; S868-L871 VanDerWaalsContact O-N 3.14Å; S868-A872 PolarHBondContact O-N 3.37Å; S868-P895 WeakPolarHBondContact CB-O 3.47Å |
| 869 | Q | 96.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.5 | -169.3 | 178 | 5.1 | 0 | 0 | 111.8 | L829 T865 L866 L871 A872 R873 L899 Q908 E911 | L829-Q869 HydrophobicContact CD1-CB 3.92Å; L829-Q869 HydrophobicContact CD1-CG 3.73Å; T865-Q869 PolarHBondContact O-N 3.09Å; L866-Q869 PolarHBondContact O-N 3.09Å; Q869-L871 VanDerWaalsContact C-N 3.34Å; Q869-L871 PolarHBondContact O-N 3.35Å; Q869-A872 WeakPolarHBondContact O-CB 3.42Å; Q869-A872 PolarHBondContact O-N 3.02Å; Q869-R873 PolarHBondContact O-N 3.43Å; Q869-L899 HydrophobicContact CB-CD1 4.46Å; Q869-L899 HydrophobicContact CB-CD2 4.04Å; Q869-Q908 VanDerWaalsContact CD-CG 3.47Å; Q869-Q908 HydrophobicContact CG-CG 4.18Å; Q869-E911 WeakPolarHBondContact CG-OE2 3.48Å; Q869-E911 PolarHBondContact NE2-OE2 2.81Å |
| 870 | A | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L829 L850 L866 A867 S868 A872 R873 L874 | L829-A870 HydrophobicContact CB-CB 4.42Å; L829-A870 HydrophobicContact CD1-CB 4.28Å; L850-A870 HydrophobicContact CD1-CB 3.75Å; L850-A870 HydrophobicContact CD2-CB 3.87Å; L850-A870 HydrophobicContact CG-CB 4.47Å; L866-A870 PolarHBondContact O-N 3.15Å; A867-A870 PolarHBondContact O-N 2.99Å; S868-A870 PolarHBondContact O-N 2.98Å; A870-A872 VanDerWaalsContact C-N 3.34Å; A870-R873 PolarHBondContact O-N 3.3Å; A870-L874 WeakPolarHBondContact O-CG 3.42Å; A870-L874 PolarHBondContact O-N 3.22Å; A870-L874 VanDerWaalsContact O-N 3.11Å |
| 871 | L | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 172.2 | -74.1 | 169.9 | 0 | 0 | 0 | 112.2 | L850 L851 A867 S868 Q869 L874 T875 F884 L892 P895 | L850-L871 HydrophobicContact CB-CD1 4.27Å; L850-L871 HydrophobicContact CB-CD2 3.5Å; L850-L871 HydrophobicContact CB-CG 3.65Å; L850-L871 HydrophobicContact CD1-CD2 4.25Å; L850-L871 HydrophobicContact CD1-CG 4.43Å; L851-L871 HydrophobicContact CD1-CD1 4.38Å; A867-L871 WeakPolarHBondContact O-CG 3.48Å; A867-L871 PolarHBondContact O-N 3.16Å; S868-L871 WeakPolarHBondContact O-CB 3.43Å; S868-L871 PolarHBondContact O-N 3.41Å; S868-L871 VanDerWaalsContact O-N 3.14Å; Q869-L871 VanDerWaalsContact C-N 3.34Å; Q869-L871 PolarHBondContact O-N 3.35Å; L871-L874 PolarHBondContact O-N 3.09Å; L871-T875 WeakPolarHBondContact O-CB 3.21Å; L871-T875 PolarHBondContact O-N 3.49Å; L871-T875 PolarHBondContact O-OG1 3Å; L871-F884 HydrophobicContact CD2-CE1 3.91Å; L871-F884 HydrophobicContact CD2-CZ 3.76Å; L871-L892 HydrophobicContact CD1-CD2 4.19Å; L871-L892 HydrophobicContact CD2-CD2 4.06Å; L871-P895 HydrophobicContact CD1-CB 4.24Å |
| 872 | A | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -50.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | S868 Q869 A870 L874 T875 I876 L896 L899 E911 A915 | S868-A872 PolarHBondContact O-N 3.37Å; Q869-A872 WeakPolarHBondContact O-CB 3.42Å; Q869-A872 PolarHBondContact O-N 3.02Å; A870-A872 VanDerWaalsContact C-N 3.34Å; A872-L874 VanDerWaalsContact C-N 3.32Å; A872-L874 PolarHBondContact O-N 2.92Å; A872-T875 PolarHBondContact O-N 3.03Å; A872-I876 VanDerWaalsContact O-CG1 3.23Å; A872-I876 WeakPolarHBondContact O-CG1 3.42Å; A872-I876 PolarHBondContact O-N 3.02Å; A872-L896 HydrophobicContact CB-CD2 3.63Å; A872-L899 HydrophobicContact CB-CD1 3.72Å; A872-E911 HydrophobicContact CB-CB 4.28Å; A872-A915 HydrophobicContact CB-CB 3.9Å |
| 873 | R | 95.4 | Very high | 90.6 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 6% | 0.06 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | 176.6 | -73.7 | 176.1 | 174.7 | 176.3 | -1.2 | 113.6 | L829 S832 E833 R838 Q869 A870 T877 E911 | L829-R873 VanDerWaalsContact CD1-NH1 3.3Å; L829-R873 PolarHBondContact O-NH1 3.49Å; S832-R873 WeakPolarHBondContact OG-CD 3.14Å; E833-R873 IonicContact OE1-NH1 3.59Å; E833-R873 PolarHBondContact OE1-NH1 3.05Å; R838-R873 PolarHBondContact NH1-O 3.33Å; Q869-R873 PolarHBondContact O-N 3.43Å; A870-R873 PolarHBondContact O-N 3.3Å; R873-T877 PolarHBondContact O-OG1 3.47Å; R873-T877 VanDerWaalsContact O-OG1 3.12Å; R873-E911 IonicContact CZ-OE1 3.08Å; R873-E911 IonicContact CZ-OE2 3.18Å; R873-E911 IonicContact NE-OE1 3.95Å; R873-E911 PolarHBondContact NE-OE1 3.37Å; R873-E911 IonicContact NE-OE2 2.84Å; R873-E911 PolarHBondContact NE-OE2 2.77Å; R873-E911 IonicContact NH2-OE1 2.65Å; R873-E911 PolarHBondContact NH2-OE1 3.38Å; R873-E911 VanDerWaalsContact NH2-OE1 3.13Å; R873-E911 IonicContact NH2-OE2 2.71Å |
| 874 | L | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 175.3 | -64.5 | -176 | 0 | 0 | 0 | 111.8 | R838 L841 V842 A846 L850 A870 L871 A872 I876 T877 A878 | R838-L874 HydrophobicContact CB-CD2 3.88Å; R838-L874 HydrophobicContact CG-CD2 4.08Å; L841-L874 HydrophobicContact CB-CD2 4.29Å; L841-L874 HydrophobicContact CD1-CD2 4.28Å; V842-L874 HydrophobicContact CG2-CD1 4.28Å; V842-L874 HydrophobicContact CG2-CD2 4.12Å; A846-L874 HydrophobicContact CB-CD1 4.25Å; L850-L874 HydrophobicContact CD1-CD1 3.83Å; A870-L874 WeakPolarHBondContact O-CG 3.42Å; A870-L874 PolarHBondContact O-N 3.22Å; A870-L874 VanDerWaalsContact O-N 3.11Å; L871-L874 PolarHBondContact O-N 3.09Å; A872-L874 VanDerWaalsContact C-N 3.32Å; A872-L874 PolarHBondContact O-N 2.92Å; L874-I876 VanDerWaalsContact C-N 3.32Å; L874-I876 PolarHBondContact O-N 3.38Å; L874-T877 PolarHBondContact O-N 2.98Å; L874-T877 PolarHBondContact O-OG1 3.34Å; L874-A878 VanDerWaalsContact O-CB 3.31Å; L874-A878 WeakPolarHBondContact O-CB 3.44Å; L874-A878 PolarHBondContact O-N 3.48Å |
| 875 | T | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.3 | -29.6 | -179.3 | -53 | 0 | 0 | 0 | 0 | 112.4 | L871 A872 P880 A915 N918 L919 | L871-T875 WeakPolarHBondContact O-CB 3.21Å; L871-T875 PolarHBondContact O-N 3.49Å; L871-T875 PolarHBondContact O-OG1 3Å; A872-T875 PolarHBondContact O-N 3.03Å; T875-P880 HydrophobicContact CG2-CB 4.48Å; T875-P880 HydrophobicContact CG2-CG 3.81Å; T875-A915 HydrophobicContact CG2-CB 4.09Å; T875-N918 PolarHBondContact O-ND2 3.49Å; T875-N918 VanDerWaalsContact O-ND2 3.16Å; T875-L919 HydrophobicContact CG2-CD2 4.29Å; T875-L919 HydrophobicContact CG2-CG 4.15Å |
| 876 | I | 93 | Very high | 88.6 | Confident | 49 Ų | 49 | 33.1 Ų | 33.1 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.3 | -70.1 | 163.9 | 0 | 0 | 0 | 110.9 | A872 L874 E911 L914 A915 N918 | A872-I876 VanDerWaalsContact O-CG1 3.23Å; A872-I876 WeakPolarHBondContact O-CG1 3.42Å; A872-I876 PolarHBondContact O-N 3.02Å; L874-I876 VanDerWaalsContact C-N 3.32Å; L874-I876 PolarHBondContact O-N 3.38Å; I876-E911 HydrophobicContact CD1-CB 4.17Å; I876-E911 HydrophobicContact CD1-CG 4.39Å; I876-L914 HydrophobicContact CD1-CB 3.9Å; I876-L914 HydrophobicContact CD1-CD1 4.28Å; I876-L914 HydrophobicContact CG1-CB 3.84Å; I876-A915 HydrophobicContact CG1-CB 4.24Å; I876-N918 WeakPolarHBondContact CA-ND2 3.35Å; I876-N918 PolarHBondContact O-ND2 3.2Å; I876-N918 VanDerWaalsContact O-ND2 3.17Å |
| 877 | T | 90.6 | Very high | 88 | Confident | 66 Ų | 66 | 39.8 Ų | 39.8 | 41% | 0.405 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -100.1 | -22.7 | -171.6 | 49 | 0 | 0 | 0 | 0 | 115.3 | V835 R838 R873 L874 | V835-T877 HydrophobicContact CG1-CG2 4.14Å; R838-T877 WeakPolarHBondContact CD-OG1 3.4Å; R873-T877 PolarHBondContact O-OG1 3.47Å; R873-T877 VanDerWaalsContact O-OG1 3.12Å; L874-T877 PolarHBondContact O-N 2.98Å; L874-T877 PolarHBondContact O-OG1 3.34Å |
| 878 | A | 86.4 | Confident | 87.5 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -114.6 | 138.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110.5 | V842 L874 P880 T883 | V842-A878 HydrophobicContact CG2-CB 4.39Å; L874-A878 VanDerWaalsContact O-CB 3.31Å; L874-A878 WeakPolarHBondContact O-CB 3.44Å; L874-A878 PolarHBondContact O-N 3.48Å; A878-P880 VanDerWaalsContact O-CD 3.29Å; A878-P880 WeakPolarHBondContact O-CD 3.42Å; A878-P880 VanDerWaalsContact O-N 3.14Å; A878-T883 HydrophobicContact CB-CG2 4.42Å; A878-T883 VanDerWaalsContact CB-OG1 3.29Å; A878-T883 WeakPolarHBondContact CB-OG1 3.46Å |
| 879 | D | 84.6 | Confident | 87.1 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | trans | -58.9 | 119 | 177.5 | -172.9 | -34.7 | 0 | 0 | 0 | 109.5 | R881 V882 T883 | D879-R881 PolarHBondContact O-N 3.15Å; D879-R881 VanDerWaalsContact O-N 3.1Å; D879-R881 VanDerWaalsContact OD1-CB 3.24Å; D879-R881 WeakPolarHBondContact OD1-CB 3.41Å; D879-R881 WeakPolarHBondContact OD1-CG 3.2Å; D879-R881 IonicContact OD1-CZ 3.35Å; D879-R881 PolarHBondContact OD1-N 2.94Å; D879-R881 IonicContact OD1-NE 3.94Å; D879-R881 PolarHBondContact OD1-NE 3.02Å; D879-R881 VanDerWaalsContact OD1-NE 3.12Å; D879-R881 IonicContact OD1-NH2 3.85Å; D879-R881 IonicContact OD2-CZ 3.99Å; D879-R881 IonicContact OD2-NE 3.73Å; D879-R881 PolarHBondContact OD2-NE 3.48Å; D879-R881 VanDerWaalsContact OD2-NE 3.16Å; D879-R881 IonicContact OD2-NH2 2.64Å; D879-R881 PolarHBondContact OD2-NH2 3.17Å; D879-V882 HydrophobicContact CB-CG2 4.35Å; D879-V882 PolarHBondContact O-N 3.07Å; D879-T883 PolarHBondContact O-N 3.44Å; D879-T883 PolarHBondContact O-OG1 3.28Å | ||
| 880 | P | 83.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -21.4 | -175.8 | -20.6 | 32 | 0 | 0 | 0 | 113.3 | T875 A878 V882 F884 L919 L922 | T875-P880 HydrophobicContact CG2-CB 4.48Å; T875-P880 HydrophobicContact CG2-CG 3.81Å; A878-P880 VanDerWaalsContact O-CD 3.29Å; A878-P880 WeakPolarHBondContact O-CD 3.42Å; A878-P880 VanDerWaalsContact O-N 3.14Å; P880-V882 VanDerWaalsContact C-N 3.32Å; P880-V882 PolarHBondContact O-N 3.13Å; P880-F884 HydrophobicContact CB-CD2 4.47Å; P880-F884 CarbonylContact O-C 3.52Å; P880-F884 WeakPolarHBondContact O-CA 3.39Å; P880-F884 PolarHBondContact O-N 3.1Å; P880-L919 HydrophobicContact CB-CD2 3.69Å; P880-L919 HydrophobicContact CG-CD2 3.88Å; P880-L922 HydrophobicContact CB-CD1 3.93Å; P880-L922 HydrophobicContact CG-CD1 4.15Å |
| 881 | R | 80.5 | Confident | 86.5 | Confident | 160 Ų | 160 | 50 Ų | 50 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.1 | -32.6 | 176 | -64.1 | 175 | -74 | -165.3 | -1.3 | 112.7 | D879 L922 | D879-R881 PolarHBondContact O-N 3.15Å; D879-R881 VanDerWaalsContact O-N 3.1Å; D879-R881 VanDerWaalsContact OD1-CB 3.24Å; D879-R881 WeakPolarHBondContact OD1-CB 3.41Å; D879-R881 WeakPolarHBondContact OD1-CG 3.2Å; D879-R881 IonicContact OD1-CZ 3.35Å; D879-R881 PolarHBondContact OD1-N 2.94Å; D879-R881 IonicContact OD1-NE 3.94Å; D879-R881 PolarHBondContact OD1-NE 3.02Å; D879-R881 VanDerWaalsContact OD1-NE 3.12Å; D879-R881 IonicContact OD1-NH2 3.85Å; D879-R881 IonicContact OD2-CZ 3.99Å; D879-R881 IonicContact OD2-NE 3.73Å; D879-R881 PolarHBondContact OD2-NE 3.48Å; D879-R881 VanDerWaalsContact OD2-NE 3.16Å; D879-R881 IonicContact OD2-NH2 2.64Å; D879-R881 PolarHBondContact OD2-NH2 3.17Å; R881-L922 HydrophobicContact CG-CD1 4.39Å; R881-L922 HydrophobicContact CG-CD2 3.96Å |
| 882 | V | 80.1 | Confident | 86.4 | Confident | 115 Ų | 115 | 50 Ų | 50 | 70% | 0.697 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -86.6 | -43.1 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | D879 P880 | D879-V882 HydrophobicContact CB-CG2 4.35Å; D879-V882 PolarHBondContact O-N 3.07Å; P880-V882 VanDerWaalsContact C-N 3.32Å; P880-V882 PolarHBondContact O-N 3.13Å |
| 883 | T | 76.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 50 Ų | 50 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | -174.3 | -41.7 | 0 | 0 | 0 | 0 | 112.1 | V842 A878 D879 | V842-T883 HydrophobicContact CB-CG2 4.27Å; V842-T883 HydrophobicContact CG1-CG2 3.61Å; V842-T883 HydrophobicContact CG2-CG2 3.64Å; A878-T883 HydrophobicContact CB-CG2 4.42Å; A878-T883 VanDerWaalsContact CB-OG1 3.29Å; A878-T883 WeakPolarHBondContact CB-OG1 3.46Å; D879-T883 PolarHBondContact O-N 3.44Å; D879-T883 PolarHBondContact O-OG1 3.28Å |
| 884 | F | 82 | Confident | 86.2 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -136 | 71.5 | -175.2 | -53.1 | -84.2 | 0 | 0 | 0 | 110.8 | G847 L871 P880 G886 K888 S889 L892 | G847-F884 VanDerWaalsContact CA-CE1 3.43Å; L871-F884 HydrophobicContact CD2-CE1 3.91Å; L871-F884 HydrophobicContact CD2-CZ 3.76Å; P880-F884 HydrophobicContact CB-CD2 4.47Å; P880-F884 CarbonylContact O-C 3.52Å; P880-F884 WeakPolarHBondContact O-CA 3.39Å; P880-F884 PolarHBondContact O-N 3.1Å; F884-G886 PolarHBondContact O-N 3Å; F884-K888 HydrophobicContact CB-CB 4.23Å; F884-S889 PolarHBondContact O-N 2.74Å; F884-L892 HydrophobicContact CB-CD1 4.33Å; F884-L892 HydrophobicContact CD1-CD1 4.35Å; F884-L892 HydrophobicContact CD1-CD2 4.1Å; F884-L892 HydrophobicContact CD1-CG 4.49Å; F884-L892 HydrophobicContact CD2-CD1 3.47Å; F884-L892 VanDerWaalsContact CD2-CD1 3.47Å; F884-L892 HydrophobicContact CD2-CD2 4.41Å; F884-L892 HydrophobicContact CD2-CG 4.41Å; F884-L892 HydrophobicContact CE1-CD2 3.77Å; F884-L892 HydrophobicContact CE2-CD1 3.7Å; F884-L892 HydrophobicContact CE2-CD2 4.11Å; F884-L892 HydrophobicContact CG-CD1 3.81Å; F884-L892 HydrophobicContact CG-CD2 4.39Å; F884-L892 HydrophobicContact CG-CG 4.38Å; F884-L892 HydrophobicContact CZ-CD1 4.25Å; F884-L892 HydrophobicContact CZ-CD2 3.79Å |
| 885 | P | 75.5 | Confident | 86.3 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 138.9 | -171 | 23.9 | -33.3 | 0 | 0 | 0 | 112.6 | ||
| 886 | G | 77.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | 72.1 | -141.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F884 K888 S889 | F884-G886 PolarHBondContact O-N 3Å; G886-K888 PolarHBondContact O-N 3.38Å; G886-K888 VanDerWaalsContact O-N 3.13Å; G886-S889 PolarHBondContact O-N 2.88Å; G886-S889 PolarHBondContact O-OG 3.39Å |
| 887 | Q | 83.5 | Confident | 86.5 | Confident | 163 Ų | 163 | 54.6 Ų | 54.6 | 76% | 0.762 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -65 | -14.3 | -177 | -69.1 | -175.3 | -14.9 | 0 | 0 | 113.9 | S889 L890 | Q887-S889 PolarHBondContact O-N 3.48Å; Q887-L890 WeakPolarHBondContact O-CB 3.47Å; Q887-L890 PolarHBondContact O-N 3.03Å; Q887-L890 VanDerWaalsContact O-N 3.08Å |
| 888 | K | 83.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -64 | -26.5 | 177.4 | -67.9 | -178.4 | -178.9 | 172.1 | 0 | 113.3 | F884 G886 L890 E891 | F884-K888 HydrophobicContact CB-CB 4.23Å; G886-K888 PolarHBondContact O-N 3.38Å; G886-K888 VanDerWaalsContact O-N 3.13Å; K888-L890 VanDerWaalsContact C-N 3.29Å; K888-L890 PolarHBondContact O-N 3.01Å; K888-E891 WeakPolarHBondContact O-CB 3.38Å; K888-E891 PolarHBondContact O-N 3.46Å |
| 889 | S | 87.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -65.9 | -32.4 | 173.8 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | F884 G886 Q887 E891 L892 H926 | F884-S889 PolarHBondContact O-N 2.74Å; G886-S889 PolarHBondContact O-N 2.88Å; G886-S889 PolarHBondContact O-OG 3.39Å; Q887-S889 PolarHBondContact O-N 3.48Å; S889-E891 PolarHBondContact O-N 3.37Å; S889-L892 WeakPolarHBondContact O-CB 3.46Å; S889-L892 PolarHBondContact O-N 3.47Å; S889-H926 WeakPolarHBondContact CB-NE2 3.44Å; S889-H926 PolarHBondContact OG-NE2 3.35Å |
| 890 | L | 89.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -71.9 | -20.9 | 176.1 | -58.8 | 174.2 | 0 | 0 | 0 | 112.7 | Q887 K888 L892 H926 R929 | Q887-L890 WeakPolarHBondContact O-CB 3.47Å; Q887-L890 PolarHBondContact O-N 3.03Å; Q887-L890 VanDerWaalsContact O-N 3.08Å; K888-L890 VanDerWaalsContact C-N 3.29Å; K888-L890 PolarHBondContact O-N 3.01Å; L890-L892 VanDerWaalsContact C-N 3.28Å; L890-H926 HydrophobicContact CD2-CB 4.45Å; L890-R929 HydrophobicContact CB-CG 4.22Å; L890-R929 HydrophobicContact CD2-CB 4.1Å; L890-R929 HydrophobicContact CD2-CG 4.35Å |
| 891 | E | 91 | Very high | 87.8 | Confident | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -75.2 | -17.3 | 178 | -80.7 | -169.7 | -126.2 | 0 | 0 | 113.5 | L851 K855 K888 S889 V893 P895 | L851-E891 HydrophobicContact CD1-CB 4.17Å; L851-E891 HydrophobicContact CD2-CB 3.92Å; K855-E891 WeakPolarHBondContact CE-O 3.46Å; K855-E891 PolarHBondContact NZ-O 3.47Å; K855-E891 IonicContact NZ-OE2 2.81Å; K855-E891 PolarHBondContact NZ-OE2 3.47Å; K888-E891 WeakPolarHBondContact O-CB 3.38Å; K888-E891 PolarHBondContact O-N 3.46Å; S889-E891 PolarHBondContact O-N 3.37Å; E891-V893 VanDerWaalsContact C-N 3.31Å; E891-P895 VanDerWaalsContact O-CD 3.31Å; E891-P895 WeakPolarHBondContact O-CD 3.24Å |
| 892 | L | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -72.6 | -24.1 | 176.9 | -63.7 | 168.6 | 0 | 0 | 0 | 112.9 | L851 L871 F884 S889 L890 R894 P895 L896 L919 | L851-L892 HydrophobicContact CD1-CD2 4.17Å; L871-L892 HydrophobicContact CD1-CD2 4.19Å; L871-L892 HydrophobicContact CD2-CD2 4.06Å; F884-L892 HydrophobicContact CB-CD1 4.33Å; F884-L892 HydrophobicContact CD1-CD1 4.35Å; F884-L892 HydrophobicContact CD1-CD2 4.1Å; F884-L892 HydrophobicContact CD1-CG 4.49Å; F884-L892 HydrophobicContact CD2-CD1 3.47Å; F884-L892 VanDerWaalsContact CD2-CD1 3.47Å; F884-L892 HydrophobicContact CD2-CD2 4.41Å; F884-L892 HydrophobicContact CD2-CG 4.41Å; F884-L892 HydrophobicContact CE1-CD2 3.77Å; F884-L892 HydrophobicContact CE2-CD1 3.7Å; F884-L892 HydrophobicContact CE2-CD2 4.11Å; F884-L892 HydrophobicContact CG-CD1 3.81Å; F884-L892 HydrophobicContact CG-CD2 4.39Å; F884-L892 HydrophobicContact CG-CG 4.38Å; F884-L892 HydrophobicContact CZ-CD1 4.25Å; F884-L892 HydrophobicContact CZ-CD2 3.79Å; S889-L892 WeakPolarHBondContact O-CB 3.46Å; S889-L892 PolarHBondContact O-N 3.47Å; L890-L892 VanDerWaalsContact C-N 3.28Å; L892-R894 VanDerWaalsContact C-N 3.34Å; L892-R894 PolarHBondContact O-N 3.32Å; L892-P895 VanDerWaalsContact O-CD 3.29Å; L892-P895 WeakPolarHBondContact O-CD 3.38Å; L892-L896 HydrophobicContact CB-CD1 4.1Å; L892-L896 WeakPolarHBondContact O-CB 3.42Å; L892-L896 VanDerWaalsContact O-CG 3.26Å; L892-L896 WeakPolarHBondContact O-CG 3.38Å; L892-L896 PolarHBondContact O-N 2.86Å; L892-L919 HydrophobicContact CB-CD1 3.87Å; L892-L919 HydrophobicContact CD1-CD1 4.29Å; L892-L919 HydrophobicContact CD1-CD2 4.12Å |
| 893 | V | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.4 | -46.6 | -173.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | E891 L896 L897 L919 R929 I930 E933 | E891-V893 VanDerWaalsContact C-N 3.31Å; V893-L896 PolarHBondContact O-N 2.85Å; V893-L897 HydrophobicContact CG1-CD1 3.78Å; V893-L897 HydrophobicContact CG1-CG 4.29Å; V893-L897 WeakPolarHBondContact O-CB 3.35Å; V893-L897 VanDerWaalsContact O-CG 3.3Å; V893-L897 WeakPolarHBondContact O-CG 3.32Å; V893-L897 PolarHBondContact O-N 2.99Å; V893-L919 HydrophobicContact CG2-CD1 4.48Å; V893-R929 HydrophobicContact CB-CG 4.03Å; V893-R929 HydrophobicContact CG1-CG 4.25Å; V893-R929 HydrophobicContact CG2-CB 4.21Å; V893-R929 HydrophobicContact CG2-CG 3.73Å; V893-I930 HydrophobicContact CG1-CB 4.38Å; V893-I930 HydrophobicContact CG1-CG1 3.89Å; V893-I930 HydrophobicContact CG2-CG1 4.08Å; V893-E933 HydrophobicContact CG1-CB 4.27Å; V893-E933 HydrophobicContact CG1-CG 4.35Å |
| 894 | R | 93.8 | Very high | 88.6 | Confident | 146 Ų | 146 | 51.6 Ų | 51.6 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.3 | -54.7 | 179.4 | -80.8 | -175.4 | -176.6 | 173.6 | 2.5 | 112.9 | L892 L896 L897 H898 E933 | L892-R894 VanDerWaalsContact C-N 3.34Å; L892-R894 PolarHBondContact O-N 3.32Å; R894-L896 VanDerWaalsContact C-N 3.26Å; R894-L896 PolarHBondContact O-N 2.88Å; R894-L897 PolarHBondContact O-N 3.18Å; R894-H898 PolarHBondContact O-N 2.94Å; R894-H898 VanDerWaalsContact O-N 3.09Å; R894-E933 HydrophobicContact CG-CG 4.13Å; R894-E933 IonicContact CZ-OE1 2.71Å; R894-E933 IonicContact CZ-OE2 3.12Å; R894-E933 VanDerWaalsContact CZ-OE2 3.31Å; R894-E933 IonicContact NE-OE1 2.86Å; R894-E933 PolarHBondContact NE-OE1 2.88Å; R894-E933 VanDerWaalsContact NE-OE1 3.11Å; R894-E933 IonicContact NE-OE2 3.75Å; R894-E933 PolarHBondContact NE-OE2 3.07Å; R894-E933 IonicContact NH2-OE1 3Å; R894-E933 PolarHBondContact NH2-OE1 3.37Å; R894-E933 IonicContact NH2-OE2 3.79Å; R894-E933 PolarHBondContact NH2-OE2 2.9Å |
| 895 | P | 94.3 | Very high | 88.9 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.7 | -39.3 | 173.9 | -29.4 | 34 | 0 | 0 | 0 | 114.3 | L851 S868 L871 E891 L892 H898 | L851-P895 HydrophobicContact CD1-CG 4.29Å; S868-P895 WeakPolarHBondContact CB-O 3.47Å; L871-P895 HydrophobicContact CD1-CB 4.24Å; E891-P895 VanDerWaalsContact O-CD 3.31Å; E891-P895 WeakPolarHBondContact O-CD 3.24Å; L892-P895 VanDerWaalsContact O-CD 3.29Å; L892-P895 WeakPolarHBondContact O-CD 3.38Å; P895-H898 WeakPolarHBondContact O-CB 3.38Å; P895-H898 PolarHBondContact O-N 3.13Å |
| 896 | L | 95.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.9 | -35 | -178.9 | -65.5 | 176.3 | 0 | 0 | 0 | 112.7 | A872 L892 V893 R894 H898 L899 A915 L916 L919 | A872-L896 HydrophobicContact CB-CD2 3.63Å; L892-L896 HydrophobicContact CB-CD1 4.1Å; L892-L896 WeakPolarHBondContact O-CB 3.42Å; L892-L896 VanDerWaalsContact O-CG 3.26Å; L892-L896 WeakPolarHBondContact O-CG 3.38Å; L892-L896 PolarHBondContact O-N 2.86Å; V893-L896 PolarHBondContact O-N 2.85Å; R894-L896 VanDerWaalsContact C-N 3.26Å; R894-L896 PolarHBondContact O-N 2.88Å; L896-H898 VanDerWaalsContact C-N 3.3Å; L896-H898 PolarHBondContact O-N 3.32Å; L896-L899 HydrophobicContact CD2-CD1 4.26Å; L896-L899 WeakPolarHBondContact O-CB 3.46Å; L896-L899 PolarHBondContact O-N 2.97Å; L896-A915 HydrophobicContact CD1-CB 3.82Å; L896-A915 HydrophobicContact CD2-CB 3.69Å; L896-A915 HydrophobicContact CG-CB 4.36Å; L896-L916 HydrophobicContact CB-CD2 3.62Å; L896-L916 HydrophobicContact CB-CG 3.94Å; L896-L916 HydrophobicContact CD1-CD2 3.96Å; L896-L916 HydrophobicContact CG-CD2 4.47Å; L896-L919 HydrophobicContact CD1-CD1 3.43Å; L896-L919 VanDerWaalsContact CD1-CD1 3.43Å; L896-L919 HydrophobicContact CD1-CG 4.4Å |
| 897 | L | 94.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -34.8 | 172.4 | -75.4 | 174 | 0 | 0 | 0 | 112.1 | V893 R894 L899 I900 L916 E933 G935 L938 | V893-L897 HydrophobicContact CG1-CD1 3.78Å; V893-L897 HydrophobicContact CG1-CG 4.29Å; V893-L897 WeakPolarHBondContact O-CB 3.35Å; V893-L897 VanDerWaalsContact O-CG 3.3Å; V893-L897 WeakPolarHBondContact O-CG 3.32Å; V893-L897 PolarHBondContact O-N 2.99Å; R894-L897 PolarHBondContact O-N 3.18Å; L897-L899 PolarHBondContact O-N 3.36Å; L897-I900 PolarHBondContact O-N 3.35Å; L897-I900 VanDerWaalsContact O-N 3.07Å; L897-L916 HydrophobicContact CD2-CD1 3.64Å; L897-L916 HydrophobicContact CG-CD1 4.26Å; L897-E933 HydrophobicContact CD1-CB 3.83Å; L897-G935 VanDerWaalsContact CD2-CA 3.43Å; L897-L938 HydrophobicContact CB-CD1 4.32Å; L897-L938 HydrophobicContact CD2-CD1 4.37Å |
| 898 | H | 93.3 | Very high | 90.8 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.2 | -36.1 | 174.1 | -179 | 81.7 | 0 | 0 | 0 | 112.4 | T865 R894 P895 L896 I900 H901 C904 | T865-H898 PolarHBondContact OG1-NE2 3.13Å; R894-H898 PolarHBondContact O-N 2.94Å; R894-H898 VanDerWaalsContact O-N 3.09Å; P895-H898 WeakPolarHBondContact O-CB 3.38Å; P895-H898 PolarHBondContact O-N 3.13Å; L896-H898 VanDerWaalsContact C-N 3.3Å; L896-H898 PolarHBondContact O-N 3.32Å; H898-I900 PolarHBondContact O-N 3.29Å; H898-H901 WeakPolarHBondContact O-CB 3.5Å; H898-H901 PolarHBondContact O-N 2.92Å; H898-C904 PolarHBondContact O-SG 3.16Å; H898-C904 VanDerWaalsContact O-SG 3.38Å |
| 899 | L | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.2 | 178.3 | -64.7 | 175.6 | 0 | 0 | 0 | 114.5 | T865 Q869 A872 L896 L897 Q908 N909 | T865-L899 HydrophobicContact CG2-CD2 4.05Å; Q869-L899 HydrophobicContact CB-CD1 4.46Å; Q869-L899 HydrophobicContact CB-CD2 4.04Å; A872-L899 HydrophobicContact CB-CD1 3.72Å; L896-L899 HydrophobicContact CD2-CD1 4.26Å; L896-L899 WeakPolarHBondContact O-CB 3.46Å; L896-L899 PolarHBondContact O-N 2.97Å; L897-L899 PolarHBondContact O-N 3.36Å; L899-Q908 HydrophobicContact CD2-CB 4.29Å; L899-Q908 HydrophobicContact CD2-CG 4.39Å; L899-Q908 CarbonylContact O-C 3.53Å; L899-N909 VanDerWaalsContact O-CA 3.26Å; L899-N909 WeakPolarHBondContact O-CA 3.25Å; L899-N909 PolarHBondContact O-N 2.93Å; L899-N909 PolarHBondContact O-ND2 3.04Å |
| 900 | I | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.8 | -176.9 | -54.9 | 169.3 | 0 | 0 | 0 | 109.8 | L897 H898 L913 L916 L938 C942 | L897-I900 PolarHBondContact O-N 3.35Å; L897-I900 VanDerWaalsContact O-N 3.07Å; H898-I900 PolarHBondContact O-N 3.29Å; I900-L913 HydrophobicContact CD1-CD2 3.8Å; I900-L913 HydrophobicContact CD1-CG 3.99Å; I900-L913 HydrophobicContact CG1-CD2 4.38Å; I900-L913 HydrophobicContact CG1-CG 4.14Å; I900-L913 HydrophobicContact CG2-CD2 4.13Å; I900-L913 HydrophobicContact CG2-CG 4.29Å; I900-L916 HydrophobicContact CD1-CD1 3.18Å; I900-L916 HydrophobicContact CD1-CG 3.97Å; I900-L938 HydrophobicContact CG2-CB 4.27Å; I900-C942 WeakPolarHBondContact CG2-SG 3.28Å |
| 901 | H | 90.4 | Very high | 92 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 38% | 0.375 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -67.3 | 150.9 | 172.5 | -158.4 | -98.8 | 0 | 0 | 0 | 111.1 | H898 D903 C904 N909 | H898-H901 WeakPolarHBondContact O-CB 3.5Å; H898-H901 PolarHBondContact O-N 2.92Å; H901-D903 IonicContact CE1-OD2 3.09Å; H901-D903 PolarHBondContact CE1-OD2 3.22Å; H901-D903 VanDerWaalsContact ND1-CG 3.32Å; H901-D903 PolarHBondContact ND1-N 3.33Å; H901-D903 IonicContact ND1-OD1 3.47Å; H901-D903 IonicContact ND1-OD2 2.61Å; H901-D903 PolarHBondContact ND1-OD2 3.12Å; H901-D903 PolarHBondContact O-N 3.5Å; H901-C904 WeakPolarHBondContact O-CB 2.98Å; H901-C904 PolarHBondContact O-N 3.08Å; H901-C904 VanDerWaalsContact O-N 3.1Å; H901-N909 PolarHBondContact O-ND2 3.13Å |
| 902 | A | 82.6 | Confident | 92.2 | Very high | 62 Ų | 62 | 42 Ų | 42 | 51% | 0.512 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C904 | A902-C904 VanDerWaalsContact C-N 3.32Š|
| 903 | D | 84.6 | Confident | 92.4 | Very high | 142 Ų | 142 | 42 Ų | 42 | 76% | 0.759 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.6 | 177.7 | -53.6 | -36.4 | 0 | 0 | 0 | 112.9 | H901 | H901-D903 IonicContact CE1-OD2 3.09Å; H901-D903 PolarHBondContact CE1-OD2 3.22Å; H901-D903 VanDerWaalsContact ND1-CG 3.32Å; H901-D903 PolarHBondContact ND1-N 3.33Å; H901-D903 IonicContact ND1-OD1 3.47Å; H901-D903 IonicContact ND1-OD2 2.61Å; H901-D903 PolarHBondContact ND1-OD2 3.12Å; H901-D903 PolarHBondContact O-N 3.5Å |
| 904 | C | 88.3 | Confident | 92.5 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -81.4 | 154.2 | 176.8 | -68.2 | 0 | 0 | 0 | 0 | 110.7 | H898 H901 A902 Q908 | H898-C904 PolarHBondContact O-SG 3.16Å; H898-C904 VanDerWaalsContact O-SG 3.38Å; H901-C904 WeakPolarHBondContact O-CB 2.98Å; H901-C904 PolarHBondContact O-N 3.08Å; H901-C904 VanDerWaalsContact O-N 3.1Å; A902-C904 VanDerWaalsContact C-N 3.32Å; C904-Q908 HydrophobicContact CB-CB 3.98Å |
| 905 | N | 89 | Confident | 92.6 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | trans | -73.3 | 161.4 | 177.2 | 65.2 | 44.4 | 0 | 0 | 0 | 111.8 | L907 Q908 N909 | N905-L907 PolarHBondContact O-N 3.09Å; N905-L907 VanDerWaalsContact O-N 3.15Å; N905-L907 PolarHBondContact OD1-N 2.83Å; N905-Q908 VanDerWaalsContact N-OE1 3.13Å; N905-Q908 WeakPolarHBondContact O-CB 3.49Å; N905-Q908 PolarHBondContact O-N 3.3Å; N905-Q908 WeakPolarHBondContact OD1-CB 3.34Å; N905-Q908 WeakPolarHBondContact OD1-CG 3.31Å; N905-Q908 PolarHBondContact OD1-N 3.22Å; N905-N909 PolarHBondContact O-N 2.87Å | ||
| 906 | A | 89.6 | Confident | 92.6 | Very high | 49 Ų | 49 | 37 Ų | 37 | 41% | 0.405 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.8 | -35.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N909 F910 I950 | A906-N909 PolarHBondContact O-N 3.1Å; A906-F910 WeakPolarHBondContact O-CB 3.4Å; A906-F910 PolarHBondContact O-N 2.94Å; A906-I950 HydrophobicContact CB-CD1 4.02Å |
| 907 | L | 91.7 | Very high | 92.6 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 47% | 0.466 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 177.5 | -179 | 62.2 | 0 | 0 | 0 | 111.5 | N905 F910 E911 | N905-L907 PolarHBondContact O-N 3.09Å; N905-L907 VanDerWaalsContact O-N 3.15Å; N905-L907 PolarHBondContact OD1-N 2.83Å; L907-F910 PolarHBondContact O-N 3.12Å; L907-E911 HydrophobicContact CD1-CG 4.25Å; L907-E911 WeakPolarHBondContact O-CB 3.39Å; L907-E911 WeakPolarHBondContact O-CG 3.48Å; L907-E911 PolarHBondContact O-N 3.33Å |
| 908 | Q | 94.5 | Very high | 92.5 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 9% | 0.089 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -45 | 175.3 | -76.2 | 165.6 | -12.3 | 0 | 0 | 111.4 | Q869 L899 C904 N905 F910 E911 G912 | Q869-Q908 VanDerWaalsContact CD-CG 3.47Å; Q869-Q908 HydrophobicContact CG-CG 4.18Å; L899-Q908 HydrophobicContact CD2-CB 4.29Å; L899-Q908 HydrophobicContact CD2-CG 4.39Å; L899-Q908 CarbonylContact O-C 3.53Å; C904-Q908 HydrophobicContact CB-CB 3.98Å; N905-Q908 VanDerWaalsContact N-OE1 3.13Å; N905-Q908 WeakPolarHBondContact O-CB 3.49Å; N905-Q908 PolarHBondContact O-N 3.3Å; N905-Q908 WeakPolarHBondContact OD1-CB 3.34Å; N905-Q908 WeakPolarHBondContact OD1-CG 3.31Å; N905-Q908 PolarHBondContact OD1-N 3.22Å; Q908-F910 VanDerWaalsContact C-N 3.33Å; Q908-F910 PolarHBondContact O-N 3.32Å; Q908-E911 PolarHBondContact O-N 3.26Å; Q908-G912 PolarHBondContact O-N 3.32Å |
| 909 | N | 94.5 | Very high | 92.5 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 175.9 | -62.1 | 151.8 | 0 | 0 | 0 | 111.1 | L899 H901 N905 A906 G912 L913 I950 | L899-N909 VanDerWaalsContact O-CA 3.26Å; L899-N909 WeakPolarHBondContact O-CA 3.25Å; L899-N909 PolarHBondContact O-N 2.93Å; L899-N909 PolarHBondContact O-ND2 3.04Å; H901-N909 PolarHBondContact O-ND2 3.13Å; N905-N909 PolarHBondContact O-N 2.87Å; A906-N909 PolarHBondContact O-N 3.1Å; N909-G912 PolarHBondContact O-N 3.49Å; N909-L913 WeakPolarHBondContact O-CB 3.5Å; N909-L913 VanDerWaalsContact O-CG 3.31Å; N909-L913 WeakPolarHBondContact O-CG 3.45Å; N909-L913 PolarHBondContact O-N 2.89Å; N909-I950 HydrophobicContact CB-CD1 4.12Å |
| 910 | F | 95.2 | Very high | 92.5 | Very high | 54 Ų | 54 | 35.2 Ų | 35.2 | 24% | 0.237 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 179.8 | -179 | -109.9 | 0 | 0 | 0 | 112.5 | A906 L907 Q908 G912 L913 L914 M949 I950 A953 | A906-F910 WeakPolarHBondContact O-CB 3.4Å; A906-F910 PolarHBondContact O-N 2.94Å; L907-F910 PolarHBondContact O-N 3.12Å; Q908-F910 VanDerWaalsContact C-N 3.33Å; Q908-F910 PolarHBondContact O-N 3.32Å; F910-G912 PolarHBondContact O-N 2.91Å; F910-L913 PolarHBondContact O-N 2.98Å; F910-L914 HydrophobicContact CD1-CD1 4.07Å; F910-L914 HydrophobicContact CE1-CD1 3.48Å; F910-L914 VanDerWaalsContact CE1-CD1 3.48Å; F910-L914 HydrophobicContact CE1-CG 4.3Å; F910-L914 HydrophobicContact CE2-CD1 4.23Å; F910-L914 HydrophobicContact CE2-CD2 4.45Å; F910-L914 HydrophobicContact CE2-CG 4.26Å; F910-L914 HydrophobicContact CZ-CD1 3.58Å; F910-L914 HydrophobicContact CZ-CD2 4.38Å; F910-L914 HydrophobicContact CZ-CG 4.1Å; F910-L914 WeakPolarHBondContact O-CG 3.27Å; F910-L914 PolarHBondContact O-N 3.38Å; F910-M949 HydrophobicContact CD2-CB 3.87Å; F910-M949 WeakPolarHBondContact CD2-O 3.38Å; F910-M949 HydrophobicContact CE2-CB 3.66Å; F910-M949 WeakPolarHBondContact CE2-O 3.43Å; F910-M949 HydrophobicContact CE2-SD 4.42Å; F910-M949 HydrophobicContact CZ-CB 4.31Å; F910-M949 HydrophobicContact CZ-SD 4.31Å; F910-I950 HydrophobicContact CB-CG1 4.25Å; F910-A953 HydrophobicContact CD2-CB 4.05Å; F910-A953 HydrophobicContact CE2-CB 4.02Å |
| 911 | E | 95.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.9 | -71.2 | 178.7 | 155.9 | 0 | 0 | 111.7 | Q869 A872 R873 I876 L907 Q908 L914 A915 | Q869-E911 WeakPolarHBondContact CG-OE2 3.48Å; Q869-E911 PolarHBondContact NE2-OE2 2.81Å; A872-E911 HydrophobicContact CB-CB 4.28Å; R873-E911 IonicContact CZ-OE1 3.08Å; R873-E911 IonicContact CZ-OE2 3.18Å; R873-E911 IonicContact NE-OE1 3.95Å; R873-E911 PolarHBondContact NE-OE1 3.37Å; R873-E911 IonicContact NE-OE2 2.84Å; R873-E911 PolarHBondContact NE-OE2 2.77Å; R873-E911 IonicContact NH2-OE1 2.65Å; R873-E911 PolarHBondContact NH2-OE1 3.38Å; R873-E911 VanDerWaalsContact NH2-OE1 3.13Å; R873-E911 IonicContact NH2-OE2 2.71Å; I876-E911 HydrophobicContact CD1-CB 4.17Å; I876-E911 HydrophobicContact CD1-CG 4.39Å; L907-E911 HydrophobicContact CD1-CG 4.25Å; L907-E911 WeakPolarHBondContact O-CB 3.39Å; L907-E911 WeakPolarHBondContact O-CG 3.48Å; L907-E911 PolarHBondContact O-N 3.33Å; Q908-E911 PolarHBondContact O-N 3.26Å; E911-L914 PolarHBondContact O-N 3.45Å; E911-A915 WeakPolarHBondContact O-CB 3.48Å; E911-A915 PolarHBondContact O-N 2.93Å |
| 912 | G | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q908 N909 F910 A915 L916 | Q908-G912 PolarHBondContact O-N 3.32Å; N909-G912 PolarHBondContact O-N 3.49Å; F910-G912 PolarHBondContact O-N 2.91Å; G912-A915 PolarHBondContact O-N 2.88Å; G912-L916 PolarHBondContact O-N 3.33Å |
| 913 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 177.6 | -77.4 | 166.4 | 0 | 0 | 0 | 112.3 | I900 N909 F910 A915 L916 T917 C942 I950 A953 A954 | I900-L913 HydrophobicContact CD1-CD2 3.8Å; I900-L913 HydrophobicContact CD1-CG 3.99Å; I900-L913 HydrophobicContact CG1-CD2 4.38Å; I900-L913 HydrophobicContact CG1-CG 4.14Å; I900-L913 HydrophobicContact CG2-CD2 4.13Å; I900-L913 HydrophobicContact CG2-CG 4.29Å; N909-L913 WeakPolarHBondContact O-CB 3.5Å; N909-L913 VanDerWaalsContact O-CG 3.31Å; N909-L913 WeakPolarHBondContact O-CG 3.45Å; N909-L913 PolarHBondContact O-N 2.89Å; F910-L913 PolarHBondContact O-N 2.98Å; L913-A915 VanDerWaalsContact C-N 3.27Å; L913-A915 PolarHBondContact O-N 2.98Å; L913-L916 PolarHBondContact O-N 3.07Å; L913-L916 VanDerWaalsContact O-N 3.14Å; L913-T917 WeakPolarHBondContact O-CB 3.22Å; L913-T917 PolarHBondContact O-N 2.91Å; L913-T917 PolarHBondContact O-OG1 2.98Å; L913-C942 HydrophobicContact CD1-CB 3.91Å; L913-I950 HydrophobicContact CD1-CG2 3.75Å; L913-A953 HydrophobicContact CB-CB 3.81Å; L913-A953 HydrophobicContact CD1-CB 4.3Å; L913-A954 HydrophobicContact CD1-CB 4.1Å; L913-A954 HydrophobicContact CD2-CB 4.16Å |
| 914 | L | 95 | Very high | 93 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 177.2 | -72.3 | -180 | 0 | 0 | 0 | 111.9 | I876 F910 E911 T917 N918 A953 | I876-L914 HydrophobicContact CD1-CB 3.9Å; I876-L914 HydrophobicContact CD1-CD1 4.28Å; I876-L914 HydrophobicContact CG1-CB 3.84Å; F910-L914 HydrophobicContact CD1-CD1 4.07Å; F910-L914 HydrophobicContact CE1-CD1 3.48Å; F910-L914 VanDerWaalsContact CE1-CD1 3.48Å; F910-L914 HydrophobicContact CE1-CG 4.3Å; F910-L914 HydrophobicContact CE2-CD1 4.23Å; F910-L914 HydrophobicContact CE2-CD2 4.45Å; F910-L914 HydrophobicContact CE2-CG 4.26Å; F910-L914 HydrophobicContact CZ-CD1 3.58Å; F910-L914 HydrophobicContact CZ-CD2 4.38Å; F910-L914 HydrophobicContact CZ-CG 4.1Å; F910-L914 WeakPolarHBondContact O-CG 3.27Å; F910-L914 PolarHBondContact O-N 3.38Å; E911-L914 PolarHBondContact O-N 3.45Å; L914-T917 PolarHBondContact O-N 2.76Å; L914-N918 PolarHBondContact O-N 3.29Å; L914-A953 HydrophobicContact CD2-CB 4.2Å |
| 915 | A | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A872 T875 I876 L896 E911 G912 L913 N918 L919 | A872-A915 HydrophobicContact CB-CB 3.9Å; T875-A915 HydrophobicContact CG2-CB 4.09Å; I876-A915 HydrophobicContact CG1-CB 4.24Å; L896-A915 HydrophobicContact CD1-CB 3.82Å; L896-A915 HydrophobicContact CD2-CB 3.69Å; L896-A915 HydrophobicContact CG-CB 4.36Å; E911-A915 WeakPolarHBondContact O-CB 3.48Å; E911-A915 PolarHBondContact O-N 2.93Å; G912-A915 PolarHBondContact O-N 2.88Å; L913-A915 VanDerWaalsContact C-N 3.27Å; L913-A915 PolarHBondContact O-N 2.98Å; A915-N918 PolarHBondContact O-N 3.23Å; A915-L919 PolarHBondContact O-N 2.92Å |
| 916 | L | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 174.1 | -77.2 | -169.8 | 0 | 0 | 0 | 112.7 | L896 L897 I900 G912 L913 N918 L919 A920 I930 | L896-L916 HydrophobicContact CB-CD2 3.62Å; L896-L916 HydrophobicContact CB-CG 3.94Å; L896-L916 HydrophobicContact CD1-CD2 3.96Å; L896-L916 HydrophobicContact CG-CD2 4.47Å; L897-L916 HydrophobicContact CD2-CD1 3.64Å; L897-L916 HydrophobicContact CG-CD1 4.26Å; I900-L916 HydrophobicContact CD1-CD1 3.18Å; I900-L916 HydrophobicContact CD1-CG 3.97Å; G912-L916 PolarHBondContact O-N 3.33Å; L913-L916 PolarHBondContact O-N 3.07Å; L913-L916 VanDerWaalsContact O-N 3.14Å; L916-N918 VanDerWaalsContact C-N 3.29Å; L916-N918 PolarHBondContact O-N 3.4Å; L916-L919 HydrophobicContact CD2-CD1 4.42Å; L916-L919 PolarHBondContact O-N 3.18Å; L916-L919 VanDerWaalsContact O-N 3.1Å; L916-A920 WeakPolarHBondContact O-CB 3.38Å; L916-A920 PolarHBondContact O-N 3.48Å; L916-I930 HydrophobicContact CD2-CD1 4.31Å; L916-I930 HydrophobicContact CD2-CG1 4.33Å |
| 917 | T | 94.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 174.4 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | L913 L914 L919 A920 S921 A953 E956 C957 N960 | L913-T917 WeakPolarHBondContact O-CB 3.22Å; L913-T917 PolarHBondContact O-N 2.91Å; L913-T917 PolarHBondContact O-OG1 2.98Å; L914-T917 PolarHBondContact O-N 2.76Å; T917-L919 PolarHBondContact O-N 3.38Å; T917-A920 PolarHBondContact O-N 3.05Å; T917-S921 PolarHBondContact O-N 3.19Å; T917-A953 PolarHBondContact OG1-O 2.99Å; T917-E956 HydrophobicContact CG2-CB 4.2Å; T917-E956 HydrophobicContact CG2-CG 3.72Å; T917-C957 WeakPolarHBondContact OG1-CA 3.38Å; T917-C957 VanDerWaalsContact OG1-CB 3.27Å; T917-C957 WeakPolarHBondContact OG1-CB 3.37Å; T917-C957 PolarHBondContact OG1-N 3.35Å; T917-N960 WeakPolarHBondContact CG2-ND2 3.47Å; T917-N960 PolarHBondContact O-ND2 3.22Å; T917-N960 VanDerWaalsContact O-ND2 3.08Å |
| 918 | N | 92.7 | Very high | 93.1 | Very high | 57 Ų | 57 | 27 Ų | 27 | 31% | 0.305 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.8 | -34.5 | 174.5 | -77.7 | -0.1 | 0 | 0 | 0 | 113.2 | T875 I876 L914 A915 L916 S921 | T875-N918 PolarHBondContact O-ND2 3.49Å; T875-N918 VanDerWaalsContact O-ND2 3.16Å; I876-N918 WeakPolarHBondContact CA-ND2 3.35Å; I876-N918 PolarHBondContact O-ND2 3.2Å; I876-N918 VanDerWaalsContact O-ND2 3.17Å; L914-N918 PolarHBondContact O-N 3.29Å; A915-N918 PolarHBondContact O-N 3.23Å; L916-N918 VanDerWaalsContact C-N 3.29Å; L916-N918 PolarHBondContact O-N 3.4Å; N918-S921 PolarHBondContact O-OG 3.13Å |
| 919 | L | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74.2 | -39.7 | 175 | -72.1 | 179 | 0 | 0 | 0 | 112.5 | T875 P880 L892 V893 L896 A915 L916 T917 S921 L922 H926 | T875-L919 HydrophobicContact CG2-CD2 4.29Å; T875-L919 HydrophobicContact CG2-CG 4.15Å; P880-L919 HydrophobicContact CB-CD2 3.69Å; P880-L919 HydrophobicContact CG-CD2 3.88Å; L892-L919 HydrophobicContact CB-CD1 3.87Å; L892-L919 HydrophobicContact CD1-CD1 4.29Å; L892-L919 HydrophobicContact CD1-CD2 4.12Å; V893-L919 HydrophobicContact CG2-CD1 4.48Å; L896-L919 HydrophobicContact CD1-CD1 3.43Å; L896-L919 VanDerWaalsContact CD1-CD1 3.43Å; L896-L919 HydrophobicContact CD1-CG 4.4Å; A915-L919 PolarHBondContact O-N 2.92Å; L916-L919 HydrophobicContact CD2-CD1 4.42Å; L916-L919 PolarHBondContact O-N 3.18Å; L916-L919 VanDerWaalsContact O-N 3.1Å; T917-L919 PolarHBondContact O-N 3.38Å; L919-S921 PolarHBondContact O-N 3.36Å; L919-L922 HydrophobicContact CD2-CD1 3.98Å; L919-L922 WeakPolarHBondContact O-CB 3.24Å; L919-L922 PolarHBondContact O-N 3.05Å; L919-H926 VanDerWaalsContact O-CB 3.25Å; L919-H926 WeakPolarHBondContact O-CB 3.47Å |
| 920 | A | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -25.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L916 T917 L922 R927 I930 N960 L961 | L916-A920 WeakPolarHBondContact O-CB 3.38Å; L916-A920 PolarHBondContact O-N 3.48Å; T917-A920 PolarHBondContact O-N 3.05Å; A920-L922 VanDerWaalsContact C-N 3.33Å; A920-R927 HydrophobicContact CB-CG 4.42Å; A920-R927 WeakPolarHBondContact O-CG 3.45Å; A920-R927 PolarHBondContact O-NH1 2.8Å; A920-I930 HydrophobicContact CB-CD1 4.09Å; A920-N960 HydrophobicContact CB-CB 3.75Å; A920-L961 HydrophobicContact CB-CD2 4.23Å; A920-L961 HydrophobicContact CB-CG 4.47Å |
| 921 | S | 92.6 | Very high | 92.5 | Very high | 64 Ų | 64 | 27.4 Ų | 27.4 | 45% | 0.448 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -15 | 177 | 73.4 | 0 | 0 | 0 | 0 | 114 | T917 N918 L919 | T917-S921 PolarHBondContact O-N 3.19Å; N918-S921 PolarHBondContact O-OG 3.13Å; L919-S921 PolarHBondContact O-N 3.36Å |
| 922 | L | 90.4 | Very high | 92 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 23% | 0.225 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -73.8 | -32 | -175.6 | -65.2 | 177.7 | 0 | 0 | 0 | 114 | P880 R881 L919 A920 | P880-L922 HydrophobicContact CB-CD1 3.93Å; P880-L922 HydrophobicContact CG-CD1 4.15Å; R881-L922 HydrophobicContact CG-CD1 4.39Å; R881-L922 HydrophobicContact CG-CD2 3.96Å; L919-L922 HydrophobicContact CD2-CD1 3.98Å; L919-L922 WeakPolarHBondContact O-CB 3.24Å; L919-L922 PolarHBondContact O-N 3.05Å; A920-L922 VanDerWaalsContact C-N 3.33Å |
| 923 | G | 89.9 | Confident | 91.7 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 19% | 0.186 | 17% | 0.169 | C | C | . | . | trans | 156.5 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T925 H926 R927 | G923-T925 VanDerWaalsContact C-N 3.3Å; G923-T925 PolarHBondContact O-N 3.07Å; G923-H926 PolarHBondContact O-N 3.21Å; G923-R927 VanDerWaalsContact C-CZ 3.44Å; G923-R927 PolarHBondContact O-N 3.06Å | ||
| 924 | D | 88.7 | Confident | 91.2 | Very high | 67 Ų | 67 | 35.6 Ų | 35.6 | 36% | 0.358 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.1 | -30.6 | -173.4 | -72.2 | -50.5 | 0 | 0 | 0 | 113.9 | H926 R927 Y928 | D924-H926 VanDerWaalsContact C-N 3.28Å; D924-H926 PolarHBondContact O-N 3.21Å; D924-R927 PolarHBondContact O-N 3.13Å; D924-R927 IonicContact OD1-CZ 2.75Å; D924-R927 IonicContact OD1-NE 2.77Å; D924-R927 PolarHBondContact OD1-NE 2.88Å; D924-R927 IonicContact OD1-NH2 4Å; D924-R927 PolarHBondContact OD1-NH2 3.08Å; D924-R927 IonicContact OD2-NH2 3.75Å; D924-R927 PolarHBondContact OD2-NH2 3.17Å; D924-Y928 HydrophobicContact CB-CD2 4.02Å; D924-Y928 HydrophobicContact CB-CE2 3.64Å; D924-Y928 WeakPolarHBondContact O-CB 3.29Å; D924-Y928 WeakPolarHBondContact O-CD2 3.29Å; D924-Y928 VanDerWaalsContact O-CG 3.28Å; D924-Y928 PolarHBondContact O-N 2.91Å |
| 925 | T | 89.6 | Confident | 90.9 | Very high | 85 Ų | 85 | 33.4 Ų | 33.4 | 52% | 0.521 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.8 | -39.9 | 177.4 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | G923 R929 | G923-T925 VanDerWaalsContact C-N 3.3Å; G923-T925 PolarHBondContact O-N 3.07Å; T925-R929 WeakPolarHBondContact O-CB 3.31Å; T925-R929 PolarHBondContact O-N 3.18Å; T925-R929 VanDerWaalsContact O-N 3.13Å |
| 926 | H | 91.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.4 | -42.9 | 175.9 | -63.1 | 77.1 | 0 | 0 | 0 | 111.8 | S889 L890 L919 G923 D924 Y928 R929 I930 | S889-H926 WeakPolarHBondContact CB-NE2 3.44Å; S889-H926 PolarHBondContact OG-NE2 3.35Å; L890-H926 HydrophobicContact CD2-CB 4.45Å; L919-H926 VanDerWaalsContact O-CB 3.25Å; L919-H926 WeakPolarHBondContact O-CB 3.47Å; G923-H926 PolarHBondContact O-N 3.21Å; D924-H926 VanDerWaalsContact C-N 3.28Å; D924-H926 PolarHBondContact O-N 3.21Å; H926-Y928 PolarHBondContact O-N 2.94Å; H926-R929 WeakPolarHBondContact O-CB 3.28Å; H926-R929 PolarHBondContact O-N 2.98Å; H926-R929 VanDerWaalsContact O-N 3.14Å; H926-I930 WeakPolarHBondContact O-CG1 3.48Å; H926-I930 PolarHBondContact O-N 3.17Å |
| 927 | R | 92.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -48.1 | 177 | -63.6 | -173.7 | -81.8 | -98 | 13.5 | 111.6 | A920 G923 D924 R929 I930 M931 N960 L961 | A920-R927 HydrophobicContact CB-CG 4.42Å; A920-R927 WeakPolarHBondContact O-CG 3.45Å; A920-R927 PolarHBondContact O-NH1 2.8Å; G923-R927 VanDerWaalsContact C-CZ 3.44Å; G923-R927 PolarHBondContact O-N 3.06Å; D924-R927 PolarHBondContact O-N 3.13Å; D924-R927 IonicContact OD1-CZ 2.75Å; D924-R927 IonicContact OD1-NE 2.77Å; D924-R927 PolarHBondContact OD1-NE 2.88Å; D924-R927 IonicContact OD1-NH2 4Å; D924-R927 PolarHBondContact OD1-NH2 3.08Å; D924-R927 IonicContact OD2-NH2 3.75Å; D924-R927 PolarHBondContact OD2-NH2 3.17Å; R927-R929 VanDerWaalsContact C-N 3.28Å; R927-R929 PolarHBondContact O-N 3.46Å; R927-I930 PolarHBondContact O-N 3.46Å; R927-M931 WeakPolarHBondContact O-CG 3.32Å; R927-M931 PolarHBondContact O-N 3.21Å; R927-M931 VanDerWaalsContact O-N 3.1Å; R927-N960 VanDerWaalsContact CD-O 3.24Å; R927-N960 WeakPolarHBondContact CD-O 3.44Å; R927-L961 HydrophobicContact CB-CD2 4.02Å; R927-L961 HydrophobicContact CG-CD2 4.04Å |
| 928 | Y | 88.1 | Confident | 90 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -38.1 | 174.7 | -68.7 | -47.1 | 0 | 0 | 0 | 112.2 | D924 H926 M931 A932 S964 A983 | D924-Y928 HydrophobicContact CB-CD2 4.02Å; D924-Y928 HydrophobicContact CB-CE2 3.64Å; D924-Y928 WeakPolarHBondContact O-CB 3.29Å; D924-Y928 WeakPolarHBondContact O-CD2 3.29Å; D924-Y928 VanDerWaalsContact O-CG 3.28Å; D924-Y928 PolarHBondContact O-N 2.91Å; H926-Y928 PolarHBondContact O-N 2.94Å; Y928-M931 PolarHBondContact O-N 2.95Å; Y928-A932 VanDerWaalsContact O-CB 3.26Å; Y928-A932 WeakPolarHBondContact O-CB 3.36Å; Y928-A932 PolarHBondContact O-N 3.26Å; Y928-S964 VanDerWaalsContact CE1-OG 3.31Å; Y928-S964 WeakPolarHBondContact CE1-OG 3.45Å; Y928-A983 HydrophobicContact CD1-CB 4.35Å; Y928-A983 HydrophobicContact CE1-CB 3.92Å |
| 929 | R | 90.3 | Very high | 90 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 29% | 0.291 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.7 | -172.3 | 67.2 | 174.3 | 143.1 | 13.3 | 112.2 | L890 V893 T925 H926 R927 M931 A932 E933 | L890-R929 HydrophobicContact CB-CG 4.22Å; L890-R929 HydrophobicContact CD2-CB 4.1Å; L890-R929 HydrophobicContact CD2-CG 4.35Å; V893-R929 HydrophobicContact CB-CG 4.03Å; V893-R929 HydrophobicContact CG1-CG 4.25Å; V893-R929 HydrophobicContact CG2-CB 4.21Å; V893-R929 HydrophobicContact CG2-CG 3.73Å; T925-R929 WeakPolarHBondContact O-CB 3.31Å; T925-R929 PolarHBondContact O-N 3.18Å; T925-R929 VanDerWaalsContact O-N 3.13Å; H926-R929 WeakPolarHBondContact O-CB 3.28Å; H926-R929 PolarHBondContact O-N 2.98Å; H926-R929 VanDerWaalsContact O-N 3.14Å; R927-R929 VanDerWaalsContact C-N 3.28Å; R927-R929 PolarHBondContact O-N 3.46Å; R929-M931 VanDerWaalsContact C-N 3.32Å; R929-A932 PolarHBondContact O-N 3.31Å; R929-E933 IonicContact CZ-OE1 3.79Å; R929-E933 IonicContact NE-OE1 3.72Å; R929-E933 IonicContact NH1-OE1 3.72Å; R929-E933 PolarHBondContact NH1-OE1 3.46Å; R929-E933 IonicContact NH2-OE1 3.39Å; R929-E933 PolarHBondContact NH2-OE1 2.7Å; R929-E933 WeakPolarHBondContact O-CG 3.5Å; R929-E933 PolarHBondContact O-N 3.23Å; R929-E933 VanDerWaalsContact O-N 3.15Å |
| 930 | I | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.1 | -66.9 | 164.5 | 0 | 0 | 0 | 110.3 | V893 L916 A920 H926 R927 G935 I939 L961 | V893-I930 HydrophobicContact CG1-CB 4.38Å; V893-I930 HydrophobicContact CG1-CG1 3.89Å; V893-I930 HydrophobicContact CG2-CG1 4.08Å; L916-I930 HydrophobicContact CD2-CD1 4.31Å; L916-I930 HydrophobicContact CD2-CG1 4.33Å; A920-I930 HydrophobicContact CB-CD1 4.09Å; H926-I930 WeakPolarHBondContact O-CG1 3.48Å; H926-I930 PolarHBondContact O-N 3.17Å; R927-I930 PolarHBondContact O-N 3.46Å; I930-G935 PolarHBondContact O-N 3Å; I930-I939 HydrophobicContact CG2-CD1 3.96Å; I930-L961 HydrophobicContact CB-CD2 4.4Å; I930-L961 HydrophobicContact CD1-CD2 4.16Å; I930-L961 HydrophobicContact CG2-CD2 4.34Å |
| 931 | M | 88 | Confident | 89.5 | Confident | 23 Ų | 23 | 41 Ų | 41 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | 178.4 | -65.2 | 175.9 | 62.6 | 0 | 0 | 112.6 | R927 Y928 R929 E933 H934 L936 S966 F967 L989 | R927-M931 WeakPolarHBondContact O-CG 3.32Å; R927-M931 PolarHBondContact O-N 3.21Å; R927-M931 VanDerWaalsContact O-N 3.1Å; Y928-M931 PolarHBondContact O-N 2.95Å; R929-M931 VanDerWaalsContact C-N 3.32Å; M931-E933 VanDerWaalsContact C-N 3.26Å; M931-E933 PolarHBondContact O-N 3.4Å; M931-H934 PolarHBondContact O-N 3.38Å; M931-L936 HydrophobicContact CE-CD1 4.19Å; M931-L936 HydrophobicContact CG-CD1 4.25Å; M931-L936 HydrophobicContact CG-CD2 4.15Å; M931-L936 HydrophobicContact CG-CG 4.23Å; M931-S966 WeakPolarHBondContact CE-OG 3.25Å; M931-F967 HydrophobicContact SD-CB 4.17Å; M931-L989 HydrophobicContact CE-CD2 4.45Å; M931-L989 HydrophobicContact CE-CG 4.32Å |
| 932 | A | 86.5 | Confident | 89.4 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 37% | 0.372 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.8 | -23.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y928 R929 H934 | Y928-A932 VanDerWaalsContact O-CB 3.26Å; Y928-A932 WeakPolarHBondContact O-CB 3.36Å; Y928-A932 PolarHBondContact O-N 3.26Å; R929-A932 PolarHBondContact O-N 3.31Å; A932-H934 VanDerWaalsContact C-N 3.29Å |
| 933 | E | 88.5 | Confident | 89.4 | Confident | 37 Ų | 37 | 36.2 Ų | 36.2 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 25.4 | 176.5 | -65 | -67 | 169.3 | 0 | 0 | 112.2 | V893 R894 L897 R929 M931 G935 | V893-E933 HydrophobicContact CG1-CB 4.27Å; V893-E933 HydrophobicContact CG1-CG 4.35Å; R894-E933 HydrophobicContact CG-CG 4.13Å; R894-E933 IonicContact CZ-OE1 2.71Å; R894-E933 IonicContact CZ-OE2 3.12Å; R894-E933 VanDerWaalsContact CZ-OE2 3.31Å; R894-E933 IonicContact NE-OE1 2.86Å; R894-E933 PolarHBondContact NE-OE1 2.88Å; R894-E933 VanDerWaalsContact NE-OE1 3.11Å; R894-E933 IonicContact NE-OE2 3.75Å; R894-E933 PolarHBondContact NE-OE2 3.07Å; R894-E933 IonicContact NH2-OE1 3Å; R894-E933 PolarHBondContact NH2-OE1 3.37Å; R894-E933 IonicContact NH2-OE2 3.79Å; R894-E933 PolarHBondContact NH2-OE2 2.9Å; L897-E933 HydrophobicContact CD1-CB 3.83Å; R929-E933 IonicContact CZ-OE1 3.79Å; R929-E933 IonicContact NE-OE1 3.72Å; R929-E933 IonicContact NH1-OE1 3.72Å; R929-E933 PolarHBondContact NH1-OE1 3.46Å; R929-E933 IonicContact NH2-OE1 3.39Å; R929-E933 PolarHBondContact NH2-OE1 2.7Å; R929-E933 WeakPolarHBondContact O-CG 3.5Å; R929-E933 PolarHBondContact O-N 3.23Å; R929-E933 VanDerWaalsContact O-N 3.15Å; M931-E933 VanDerWaalsContact C-N 3.26Å; M931-E933 PolarHBondContact O-N 3.4Å; E933-G935 VanDerWaalsContact C-N 3.26Å; E933-G935 PolarHBondContact O-N 3.22Å |
| 934 | H | 85.9 | Confident | 89.3 | Confident | 110 Ų | 110 | 41 Ų | 41 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 35.4 | 178.5 | -61.2 | -78.5 | 0 | 0 | 0 | 114.1 | M931 A932 P937 H988 | M931-H934 PolarHBondContact O-N 3.38Å; A932-H934 VanDerWaalsContact C-N 3.29Å; H934-P937 WeakPolarHBondContact O-CD 3.4Å; H934-H988 AromaticContact CE1-CD2 3.68Å |
| 935 | G | 88.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.8 | -21.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L897 I930 E933 L938 I939 | L897-G935 VanDerWaalsContact CD2-CA 3.43Å; I930-G935 PolarHBondContact O-N 3Å; E933-G935 VanDerWaalsContact C-N 3.26Å; E933-G935 PolarHBondContact O-N 3.22Å; G935-L938 PolarHBondContact O-N 3.5Å; G935-I939 WeakPolarHBondContact O-CG1 3.47Å; G935-I939 PolarHBondContact O-N 3.43Å |
| 936 | L | 89.7 | Confident | 89.1 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | -173.7 | -63.2 | -174.6 | 0 | 0 | 0 | 114.4 | M931 L938 I939 D940 L961 F967 | M931-L936 HydrophobicContact CE-CD1 4.19Å; M931-L936 HydrophobicContact CG-CD1 4.25Å; M931-L936 HydrophobicContact CG-CD2 4.15Å; M931-L936 HydrophobicContact CG-CG 4.23Å; L936-L938 VanDerWaalsContact C-N 3.26Å; L936-L938 PolarHBondContact O-N 3.06Å; L936-I939 PolarHBondContact O-N 2.94Å; L936-D940 WeakPolarHBondContact O-CB 3.44Å; L936-D940 VanDerWaalsContact O-CG 3.26Å; L936-D940 PolarHBondContact O-N 3.21Å; L936-L961 HydrophobicContact CD2-CD1 4.14Å; L936-F967 HydrophobicContact CD2-CD2 3.84Å; L936-F967 HydrophobicContact CD2-CE2 3.63Å |
| 937 | P | 88 | Confident | 89 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.1 | -34.8 | 177.3 | -24.5 | 36.1 | 0 | 0 | 0 | 113.3 | H934 H941 | H934-P937 WeakPolarHBondContact O-CD 3.4Å; P937-H941 PolarHBondContact O-N 3.31Å |
| 938 | L | 90.5 | Very high | 88.9 | Confident | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.5 | -45.7 | 177.9 | -61.5 | 175.3 | 0 | 0 | 0 | 111.2 | L897 I900 G935 L936 D940 H941 C942 | L897-L938 HydrophobicContact CB-CD1 4.32Å; L897-L938 HydrophobicContact CD2-CD1 4.37Å; I900-L938 HydrophobicContact CG2-CB 4.27Å; G935-L938 PolarHBondContact O-N 3.5Å; L936-L938 VanDerWaalsContact C-N 3.26Å; L936-L938 PolarHBondContact O-N 3.06Å; L938-D940 VanDerWaalsContact C-N 3.33Å; L938-D940 PolarHBondContact O-N 3.49Å; L938-H941 WeakPolarHBondContact O-CB 3.32Å; L938-H941 PolarHBondContact O-N 3.41Å; L938-C942 PolarHBondContact O-N 2.94Å; L938-C942 VanDerWaalsContact O-N 3.16Å |
| 939 | I | 91.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.1 | -64.3 | 167.2 | 0 | 0 | 0 | 110.2 | I930 G935 L936 H941 C942 L943 V958 L961 | I930-I939 HydrophobicContact CG2-CD1 3.96Å; G935-I939 WeakPolarHBondContact O-CG1 3.47Å; G935-I939 PolarHBondContact O-N 3.43Å; L936-I939 PolarHBondContact O-N 2.94Å; I939-H941 VanDerWaalsContact C-N 3.32Å; I939-H941 PolarHBondContact O-N 3.34Å; I939-C942 PolarHBondContact O-N 2.88Å; I939-L943 WeakPolarHBondContact O-CG 3.37Å; I939-L943 PolarHBondContact O-N 3.49Å; I939-V958 HydrophobicContact CG2-CG2 3.79Å; I939-L961 HydrophobicContact CD1-CD1 3.79Å |
| 940 | D | 89.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.4 | -77.8 | -4 | 0 | 0 | 0 | 111.1 | L936 L938 C942 L943 F944 S992 R995 | L936-D940 WeakPolarHBondContact O-CB 3.44Å; L936-D940 VanDerWaalsContact O-CG 3.26Å; L936-D940 PolarHBondContact O-N 3.21Å; L938-D940 VanDerWaalsContact C-N 3.33Å; L938-D940 PolarHBondContact O-N 3.49Å; D940-C942 VanDerWaalsContact C-N 3.32Å; D940-C942 PolarHBondContact O-N 2.91Å; D940-L943 WeakPolarHBondContact O-CB 3.46Å; D940-L943 PolarHBondContact O-N 2.95Å; D940-L943 VanDerWaalsContact O-N 3.09Å; D940-F944 WeakPolarHBondContact O-CD2 3.24Å; D940-F944 PolarHBondContact O-N 3.47Å; D940-S992 VanDerWaalsContact OD2-CB 3.25Å; D940-S992 WeakPolarHBondContact OD2-CB 3.24Å; D940-S992 PolarHBondContact OD2-OG 2.89Å; D940-R995 IonicContact OD1-CZ 3.31Å; D940-R995 VanDerWaalsContact OD1-CZ 3.26Å; D940-R995 IonicContact OD1-NE 2.74Å; D940-R995 PolarHBondContact OD1-NE 3.36Å; D940-R995 IonicContact OD1-NH2 3.98Å; D940-R995 PolarHBondContact OD1-NH2 3.29Å; D940-R995 IonicContact OD2-CZ 2.95Å; D940-R995 IonicContact OD2-NE 3.85Å; D940-R995 IonicContact OD2-NH2 2.8Å; D940-R995 PolarHBondContact OD2-NH2 3.24Å |
| 941 | H | 89.3 | Confident | 89.2 | Confident | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.398 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57 | -46.8 | 174.6 | -179.9 | 49.6 | 0 | 0 | 0 | 111.5 | P937 L938 I939 L943 F944 | P937-H941 PolarHBondContact O-N 3.31Å; L938-H941 WeakPolarHBondContact O-CB 3.32Å; L938-H941 PolarHBondContact O-N 3.41Å; I939-H941 VanDerWaalsContact C-N 3.32Å; I939-H941 PolarHBondContact O-N 3.34Å; H941-L943 VanDerWaalsContact C-N 3.25Å; H941-L943 PolarHBondContact O-N 2.82Å; H941-F944 PolarHBondContact O-N 3.48Å |
| 942 | C | 90.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.7 | -21.8 | 176.7 | -64.7 | 0 | 0 | 0 | 0 | 114.4 | I900 L913 L938 I939 D940 F944 E945 I950 A954 | I900-C942 WeakPolarHBondContact CG2-SG 3.28Å; L913-C942 HydrophobicContact CD1-CB 3.91Å; L938-C942 PolarHBondContact O-N 2.94Å; L938-C942 VanDerWaalsContact O-N 3.16Å; I939-C942 PolarHBondContact O-N 2.88Å; D940-C942 VanDerWaalsContact C-N 3.32Å; D940-C942 PolarHBondContact O-N 2.91Å; C942-F944 PolarHBondContact O-N 3.01Å; C942-E945 WeakPolarHBondContact O-CB 3.18Å; C942-E945 PolarHBondContact O-N 3.44Å; C942-I950 HydrophobicContact CB-CG2 3.89Å; C942-A954 HydrophobicContact CB-CB 3.84Å |
| 943 | L | 89.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -28.9 | 170.5 | -67 | 169.6 | 0 | 0 | 0 | 111.6 | I939 D940 H941 A954 T955 V958 R995 L998 Y1002 | I939-L943 WeakPolarHBondContact O-CG 3.37Å; I939-L943 PolarHBondContact O-N 3.49Å; D940-L943 WeakPolarHBondContact O-CB 3.46Å; D940-L943 PolarHBondContact O-N 2.95Å; D940-L943 VanDerWaalsContact O-N 3.09Å; H941-L943 VanDerWaalsContact C-N 3.25Å; H941-L943 PolarHBondContact O-N 2.82Å; L943-A954 HydrophobicContact CD2-CB 3.8Å; L943-A954 HydrophobicContact CG-CB 4.22Å; L943-T955 WeakPolarHBondContact CD2-OG1 3.26Å; L943-V958 HydrophobicContact CD1-CG2 3.87Å; L943-V958 HydrophobicContact CD2-CG2 4.01Å; L943-V958 HydrophobicContact CG-CG2 4.3Å; L943-R995 HydrophobicContact CD1-CG 4.17Å; L943-L998 HydrophobicContact CB-CD2 3.75Å; L943-Y1002 PolarHBondContact O-OH 3.37Å |
| 944 | F | 89 | Confident | 90.1 | Very high | 118 Ų | 118 | 48.6 Ų | 48.6 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.1 | 178.6 | -67.6 | -77.7 | 0 | 0 | 0 | 113.4 | D940 H941 C942 E994 L998 | D940-F944 WeakPolarHBondContact O-CD2 3.24Å; D940-F944 PolarHBondContact O-N 3.47Å; H941-F944 PolarHBondContact O-N 3.48Å; C942-F944 PolarHBondContact O-N 3.01Å; F944-E994 HydrophobicContact CZ-CB 4.38Å; F944-L998 HydrophobicContact CD1-CD1 4.47Å; F944-L998 HydrophobicContact CD1-CD2 4.02Å; F944-L998 HydrophobicContact CE1-CD1 4.21Å; F944-L998 HydrophobicContact CE1-CD2 3.8Å; F944-L998 HydrophobicContact CE1-CG 4.5Å; F944-L998 HydrophobicContact CE2-CD2 4.39Å; F944-L998 HydrophobicContact CG-CD2 4.42Å; F944-L998 HydrophobicContact CZ-CD2 3.99Å |
| 945 | E | 87.9 | Confident | 90.6 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | trans | -72.5 | 140.2 | -176 | -162.3 | 60.3 | -142 | 0 | 0 | 112 | C942 H947 I950 R951 | C942-E945 WeakPolarHBondContact O-CB 3.18Å; C942-E945 PolarHBondContact O-N 3.44Å; E945-H947 VanDerWaalsContact C-N 3.27Å; E945-H947 HydrophobicContact CG-CB 4.29Å; E945-H947 PolarHBondContact O-N 3.17Å; E945-I950 HydrophobicContact CB-CG2 4.03Å; E945-I950 HydrophobicContact CG-CB 4.45Å; E945-I950 HydrophobicContact CG-CD1 4.36Å; E945-I950 HydrophobicContact CG-CG2 4.16Å; E945-R951 PolarHBondContact O-NE 3.03Å | ||
| 946 | D | 85.4 | Confident | 90.9 | Very high | 135 Ų | 135 | 47.9 Ų | 47.9 | 72% | 0.722 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -68 | -29.7 | -179.6 | -72.8 | -36.2 | 0 | 0 | 0 | 111.8 | P948 R951 | D946-P948 VanDerWaalsContact O-CD 3.26Å; D946-P948 WeakPolarHBondContact O-CD 3.44Å; D946-R951 PolarHBondContact O-NH2 3.18Å |
| 947 | H | 89.8 | Confident | 91.1 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 40% | 0.398 | 24% | 0.235 | S | C | . | . | trans | -66.1 | 114.3 | -177 | -166.8 | -80.7 | 0 | 0 | 0 | 112.1 | E945 M949 I950 R951 | E945-H947 VanDerWaalsContact C-N 3.27Å; E945-H947 HydrophobicContact CG-CB 4.29Å; E945-H947 PolarHBondContact O-N 3.17Å; H947-M949 VanDerWaalsContact C-N 3.33Å; H947-M949 PolarHBondContact ND1-N 2.86Å; H947-M949 PolarHBondContact O-N 3.42Å; H947-I950 HydrophobicContact CB-CB 4.23Å; H947-I950 HydrophobicContact CB-CD1 3.94Å; H947-I950 HydrophobicContact CB-CG1 4.12Å; H947-I950 PolarHBondContact O-N 3Å; H947-R951 PolarHBondContact O-N 3.34Å; H947-R951 VanDerWaalsContact O-N 3.12Å | ||
| 948 | P | 90 | Very high | 91.5 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 42% | 0.422 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.3 | -40.8 | -170.6 | -27.2 | 34.6 | 0 | 0 | 0 | 114 | D946 I950 R951 R952 | D946-P948 VanDerWaalsContact O-CD 3.26Å; D946-P948 WeakPolarHBondContact O-CD 3.44Å; P948-I950 PolarHBondContact O-N 3.15Å; P948-R951 PolarHBondContact O-N 3.45Å; P948-R952 VanDerWaalsContact O-CG 3.24Å; P948-R952 WeakPolarHBondContact O-CG 3.43Å; P948-R952 PolarHBondContact O-N 3.06Å |
| 949 | M | 90.8 | Very high | 91.7 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 46% | 0.458 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 179.7 | -65.3 | -87.1 | -170.7 | 0 | 0 | 112.8 | F910 H947 A953 | F910-M949 HydrophobicContact CD2-CB 3.87Å; F910-M949 WeakPolarHBondContact CD2-O 3.38Å; F910-M949 HydrophobicContact CE2-CB 3.66Å; F910-M949 WeakPolarHBondContact CE2-O 3.43Å; F910-M949 HydrophobicContact CE2-SD 4.42Å; F910-M949 HydrophobicContact CZ-CB 4.31Å; F910-M949 HydrophobicContact CZ-SD 4.31Å; H947-M949 VanDerWaalsContact C-N 3.33Å; H947-M949 PolarHBondContact ND1-N 2.86Å; H947-M949 PolarHBondContact O-N 3.42Å; M949-A953 WeakPolarHBondContact O-CB 3.38Å; M949-A953 PolarHBondContact O-N 3Å |
| 950 | I | 93.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.1 | -46.5 | -179.8 | -67.5 | 178.8 | 0 | 0 | 0 | 108.7 | A906 N909 F910 L913 C942 E945 H947 P948 R952 A953 A954 | A906-I950 HydrophobicContact CB-CD1 4.02Å; N909-I950 HydrophobicContact CB-CD1 4.12Å; F910-I950 HydrophobicContact CB-CG1 4.25Å; L913-I950 HydrophobicContact CD1-CG2 3.75Å; C942-I950 HydrophobicContact CB-CG2 3.89Å; E945-I950 HydrophobicContact CB-CG2 4.03Å; E945-I950 HydrophobicContact CG-CB 4.45Å; E945-I950 HydrophobicContact CG-CD1 4.36Å; E945-I950 HydrophobicContact CG-CG2 4.16Å; H947-I950 HydrophobicContact CB-CB 4.23Å; H947-I950 HydrophobicContact CB-CD1 3.94Å; H947-I950 HydrophobicContact CB-CG1 4.12Å; H947-I950 PolarHBondContact O-N 3Å; P948-I950 PolarHBondContact O-N 3.15Å; I950-R952 VanDerWaalsContact C-N 3.33Å; I950-R952 PolarHBondContact O-N 2.97Å; I950-A953 PolarHBondContact O-N 2.99Å; I950-A954 WeakPolarHBondContact O-CB 3.48Å; I950-A954 PolarHBondContact O-N 3.41Å |
| 951 | R | 92.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 17% | 0.166 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.4 | -44.9 | 175.7 | -165.4 | -168.1 | -52.2 | 178.9 | 9.6 | 112.3 | E945 D946 H947 P948 T955 Y1002 E1005 L1011 | E945-R951 PolarHBondContact O-NE 3.03Å; D946-R951 PolarHBondContact O-NH2 3.18Å; H947-R951 PolarHBondContact O-N 3.34Å; H947-R951 VanDerWaalsContact O-N 3.12Å; P948-R951 PolarHBondContact O-N 3.45Å; R951-T955 WeakPolarHBondContact O-CB 3.16Å; R951-T955 PolarHBondContact O-N 3.18Å; R951-T955 PolarHBondContact O-OG1 3.34Å; R951-Y1002 VanDerWaalsContact CD-CZ 3.49Å; R951-Y1002 WeakPolarHBondContact CD-OH 3.33Å; R951-Y1002 HydrophobicContact CG-CE2 3.85Å; R951-E1005 IonicContact NH1-OE1 3.18Å; R951-E1005 IonicContact NH1-OE2 2.74Å; R951-E1005 PolarHBondContact NH1-OE2 2.99Å; R951-L1011 HydrophobicContact CG-CD1 4.26Å |
| 952 | R | 92.5 | Very high | 92.3 | Very high | 72 Ų | 72 | 39.3 Ų | 39.3 | 27% | 0.272 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.2 | -53.8 | 173.4 | -73.5 | 170.5 | -160.8 | -168.3 | -8.1 | 111.7 | P948 I950 A954 T955 E956 D1008 L1011 | P948-R952 VanDerWaalsContact O-CG 3.24Å; P948-R952 WeakPolarHBondContact O-CG 3.43Å; P948-R952 PolarHBondContact O-N 3.06Å; I950-R952 VanDerWaalsContact C-N 3.33Å; I950-R952 PolarHBondContact O-N 2.97Å; R952-A954 VanDerWaalsContact C-N 3.32Å; R952-A954 PolarHBondContact O-N 2.91Å; R952-T955 PolarHBondContact O-N 2.62Å; R952-E956 PolarHBondContact O-N 3.17Å; R952-D1008 VanDerWaalsContact CZ-CG 3.45Å; R952-D1008 IonicContact CZ-OD1 2.59Å; R952-D1008 VanDerWaalsContact CZ-OD1 3.26Å; R952-D1008 IonicContact CZ-OD2 3.74Å; R952-D1008 IonicContact NE-OD1 3.4Å; R952-D1008 PolarHBondContact NE-OD1 3.29Å; R952-D1008 VanDerWaalsContact NE-OD1 3.09Å; R952-D1008 IonicContact NE-OD2 3.73Å; R952-D1008 PolarHBondContact NE-OD2 3Å; R952-D1008 IonicContact NH2-OD1 2.71Å; R952-D1008 PolarHBondContact NH2-OD1 3.46Å; R952-D1008 IonicContact NH2-OD2 3.07Å; R952-D1008 PolarHBondContact NH2-OD2 3.29Å; R952-L1011 HydrophobicContact CG-CB 4.17Å |
| 953 | A | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F910 L913 L914 T917 M949 I950 E956 C957 | F910-A953 HydrophobicContact CD2-CB 4.05Å; F910-A953 HydrophobicContact CE2-CB 4.02Å; L913-A953 HydrophobicContact CB-CB 3.81Å; L913-A953 HydrophobicContact CD1-CB 4.3Å; L914-A953 HydrophobicContact CD2-CB 4.2Å; T917-A953 PolarHBondContact OG1-O 2.99Å; M949-A953 WeakPolarHBondContact O-CB 3.38Å; M949-A953 PolarHBondContact O-N 3Å; I950-A953 PolarHBondContact O-N 2.99Å; A953-E956 PolarHBondContact O-N 3.07Å; A953-C957 WeakPolarHBondContact O-CB 3.49Å; A953-C957 PolarHBondContact O-N 3.32Å |
| 954 | A | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L913 C942 L943 I950 R952 E956 C957 V958 | L913-A954 HydrophobicContact CD1-CB 4.1Å; L913-A954 HydrophobicContact CD2-CB 4.16Å; C942-A954 HydrophobicContact CB-CB 3.84Å; L943-A954 HydrophobicContact CD2-CB 3.8Å; L943-A954 HydrophobicContact CG-CB 4.22Å; I950-A954 WeakPolarHBondContact O-CB 3.48Å; I950-A954 PolarHBondContact O-N 3.41Å; R952-A954 VanDerWaalsContact C-N 3.32Å; R952-A954 PolarHBondContact O-N 2.91Å; A954-E956 VanDerWaalsContact C-N 3.33Å; A954-E956 PolarHBondContact O-N 2.98Å; A954-C957 WeakPolarHBondContact O-CB 3.47Å; A954-C957 PolarHBondContact O-N 3.17Å; A954-V958 WeakPolarHBondContact O-CG2 3.45Å; A954-V958 PolarHBondContact O-N 2.87Å |
| 955 | T | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | L943 R951 R952 V958 A959 L999 L1011 A1014 A1015 | L943-T955 WeakPolarHBondContact CD2-OG1 3.26Å; R951-T955 WeakPolarHBondContact O-CB 3.16Å; R951-T955 PolarHBondContact O-N 3.18Å; R951-T955 PolarHBondContact O-OG1 3.34Å; R952-T955 PolarHBondContact O-N 2.62Å; T955-V958 WeakPolarHBondContact O-CB 3.25Å; T955-V958 PolarHBondContact O-N 3.46Å; T955-A959 PolarHBondContact O-N 3.41Å; T955-L999 HydrophobicContact CG2-CD2 3.9Å; T955-L1011 HydrophobicContact CG2-CD1 3.98Å; T955-L1011 VanDerWaalsContact OG1-CD1 3.27Å; T955-L1011 WeakPolarHBondContact OG1-CD1 3.09Å; T955-A1014 HydrophobicContact CG2-CB 3.72Å; T955-A1015 HydrophobicContact CG2-CB 3.92Å |
| 956 | E | 94.6 | Very high | 92.1 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 174.5 | -166.1 | 175.3 | -177.4 | 0 | 0 | 112 | T917 R952 A953 A954 V958 A959 N960 A1014 | T917-E956 HydrophobicContact CG2-CB 4.2Å; T917-E956 HydrophobicContact CG2-CG 3.72Å; R952-E956 PolarHBondContact O-N 3.17Å; A953-E956 PolarHBondContact O-N 3.07Å; A954-E956 VanDerWaalsContact C-N 3.33Å; A954-E956 PolarHBondContact O-N 2.98Å; E956-V958 VanDerWaalsContact C-N 3.31Å; E956-V958 PolarHBondContact O-N 3.02Å; E956-A959 WeakPolarHBondContact O-CB 3.37Å; E956-A959 PolarHBondContact O-N 2.92Å; E956-N960 PolarHBondContact O-N 3.26Å; E956-N960 VanDerWaalsContact O-N 3.07Å; E956-A1014 HydrophobicContact CB-CB 4.2Å |
| 957 | C | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 171.9 | -163.6 | 0 | 0 | 0 | 0 | 110.8 | T917 A953 A954 A959 N960 L961 | T917-C957 WeakPolarHBondContact OG1-CA 3.38Å; T917-C957 VanDerWaalsContact OG1-CB 3.27Å; T917-C957 WeakPolarHBondContact OG1-CB 3.37Å; T917-C957 PolarHBondContact OG1-N 3.35Å; A953-C957 WeakPolarHBondContact O-CB 3.49Å; A953-C957 PolarHBondContact O-N 3.32Å; A954-C957 WeakPolarHBondContact O-CB 3.47Å; A954-C957 PolarHBondContact O-N 3.17Å; C957-A959 VanDerWaalsContact C-N 3.34Å; C957-A959 PolarHBondContact O-N 3.23Å; C957-N960 PolarHBondContact O-N 2.89Å; C957-L961 WeakPolarHBondContact O-CG 3.46Å; C957-L961 PolarHBondContact O-N 3.33Å |
| 958 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 175.3 | 164.8 | 0 | 0 | 0 | 0 | 111.9 | I939 L943 A954 T955 E956 N960 L961 A962 F967 L999 A1018 | I939-V958 HydrophobicContact CG2-CG2 3.79Å; L943-V958 HydrophobicContact CD1-CG2 3.87Å; L943-V958 HydrophobicContact CD2-CG2 4.01Å; L943-V958 HydrophobicContact CG-CG2 4.3Å; A954-V958 WeakPolarHBondContact O-CG2 3.45Å; A954-V958 PolarHBondContact O-N 2.87Å; T955-V958 WeakPolarHBondContact O-CB 3.25Å; T955-V958 PolarHBondContact O-N 3.46Å; E956-V958 VanDerWaalsContact C-N 3.31Å; E956-V958 PolarHBondContact O-N 3.02Å; V958-N960 VanDerWaalsContact C-N 3.27Å; V958-N960 PolarHBondContact O-N 2.9Å; V958-L961 PolarHBondContact O-N 3.28Å; V958-A962 VanDerWaalsContact O-CB 3.25Å; V958-A962 WeakPolarHBondContact O-CB 3.28Å; V958-A962 PolarHBondContact O-N 3.3Å; V958-F967 HydrophobicContact CB-CZ 4.44Å; V958-F967 HydrophobicContact CG1-CE1 4.09Å; V958-F967 HydrophobicContact CG1-CZ 3.8Å; V958-F967 HydrophobicContact CG2-CZ 4.32Å; V958-L999 HydrophobicContact CG1-CD1 4.09Å; V958-L999 HydrophobicContact CG1-CD2 4.16Å; V958-A1018 HydrophobicContact CG1-CB 4.23Å |
| 959 | A | 94.7 | Very high | 92.1 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 10% | 0.099 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.8 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T955 E956 C957 A1014 A1018 | T955-A959 PolarHBondContact O-N 3.41Å; E956-A959 WeakPolarHBondContact O-CB 3.37Å; E956-A959 PolarHBondContact O-N 2.92Å; C957-A959 VanDerWaalsContact C-N 3.34Å; C957-A959 PolarHBondContact O-N 3.23Å; A959-A1014 WeakPolarHBondContact CB-O 3.44Å; A959-A1018 HydrophobicContact CB-CB 4.04Å |
| 960 | N | 95.4 | Very high | 91.8 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 15% | 0.15 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -72.2 | -40.8 | 174 | -71.6 | -20.8 | 0 | 0 | 0 | 112 | T917 A920 R927 E956 C957 V958 A962 Q963 | T917-N960 WeakPolarHBondContact CG2-ND2 3.47Å; T917-N960 PolarHBondContact O-ND2 3.22Å; T917-N960 VanDerWaalsContact O-ND2 3.08Å; A920-N960 HydrophobicContact CB-CB 3.75Å; R927-N960 VanDerWaalsContact CD-O 3.24Å; R927-N960 WeakPolarHBondContact CD-O 3.44Å; E956-N960 PolarHBondContact O-N 3.26Å; E956-N960 VanDerWaalsContact O-N 3.07Å; C957-N960 PolarHBondContact O-N 2.89Å; V958-N960 VanDerWaalsContact C-N 3.27Å; V958-N960 PolarHBondContact O-N 2.9Å; N960-A962 VanDerWaalsContact C-N 3.31Å; N960-A962 PolarHBondContact O-N 3.31Å; N960-Q963 WeakPolarHBondContact O-CB 3.38Å; N960-Q963 PolarHBondContact O-N 2.85Å |
| 961 | L | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.7 | -34.5 | 176.3 | -68.6 | 172.5 | 0 | 0 | 0 | 112.5 | A920 R927 I930 L936 I939 C957 V958 Q963 S964 F967 | A920-L961 HydrophobicContact CB-CD2 4.23Å; A920-L961 HydrophobicContact CB-CG 4.47Å; R927-L961 HydrophobicContact CB-CD2 4.02Å; R927-L961 HydrophobicContact CG-CD2 4.04Å; I930-L961 HydrophobicContact CB-CD2 4.4Å; I930-L961 HydrophobicContact CD1-CD2 4.16Å; I930-L961 HydrophobicContact CG2-CD2 4.34Å; L936-L961 HydrophobicContact CD2-CD1 4.14Å; I939-L961 HydrophobicContact CD1-CD1 3.79Å; C957-L961 WeakPolarHBondContact O-CG 3.46Å; C957-L961 PolarHBondContact O-N 3.33Å; V958-L961 PolarHBondContact O-N 3.28Å; L961-Q963 PolarHBondContact O-N 3.48Å; L961-Q963 VanDerWaalsContact O-N 3.07Å; L961-S964 PolarHBondContact O-N 3.38Å; L961-F967 HydrophobicContact CB-CD1 4.49Å; L961-F967 HydrophobicContact CB-CD2 3.58Å; L961-F967 HydrophobicContact CB-CE2 3.74Å; L961-F967 HydrophobicContact CB-CG 3.96Å; L961-F967 HydrophobicContact CB-CZ 4.27Å; L961-F967 HydrophobicContact CD1-CD2 4.27Å; L961-F967 HydrophobicContact CD1-CE2 3.96Å; L961-F967 HydrophobicContact CG-CD2 4.48Å; L961-F967 WeakPolarHBondContact O-CB 3.26Å |
| 962 | A | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -16.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V958 N960 S964 F967 A1018 M1022 | V958-A962 VanDerWaalsContact O-CB 3.25Å; V958-A962 WeakPolarHBondContact O-CB 3.28Å; V958-A962 PolarHBondContact O-N 3.3Å; N960-A962 VanDerWaalsContact C-N 3.31Å; N960-A962 PolarHBondContact O-N 3.31Å; A962-S964 PolarHBondContact O-N 3.45Å; A962-F967 HydrophobicContact CB-CD1 4.16Å; A962-F967 HydrophobicContact CB-CE1 4.24Å; A962-A1018 HydrophobicContact CB-CB 4.21Å; A962-M1022 HydrophobicContact CB-CG 3.71Å; A962-M1022 HydrophobicContact CB-SD 4Å |
| 963 | Q | 92.2 | Very high | 90.8 | Very high | 105 Ų | 105 | 16.9 Ų | 16.9 | 49% | 0.491 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -16.5 | 173.7 | -60.1 | 177 | 30.4 | 0 | 0 | 112.9 | N960 L961 | N960-Q963 WeakPolarHBondContact O-CB 3.38Å; N960-Q963 PolarHBondContact O-N 2.85Å; L961-Q963 PolarHBondContact O-N 3.48Å; L961-Q963 VanDerWaalsContact O-N 3.07Å |
| 964 | S | 89.4 | Confident | 90.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -93.8 | 130.6 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | Y928 L961 A962 S966 F967 V968 | Y928-S964 VanDerWaalsContact CE1-OG 3.31Å; Y928-S964 WeakPolarHBondContact CE1-OG 3.45Å; L961-S964 PolarHBondContact O-N 3.38Å; A962-S964 PolarHBondContact O-N 3.45Å; S964-S966 PolarHBondContact O-N 2.93Å; S964-F967 WeakPolarHBondContact O-CB 3.38Å; S964-F967 PolarHBondContact O-N 3.14Å; S964-V968 PolarHBondContact O-N 3.26Å |
| 965 | H | 87.5 | Confident | 89.9 | Confident | 33 Ų | 33 | 24 Ų | 24 | 15% | 0.153 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.6 | -34 | 178.8 | -169.2 | 54 | 0 | 0 | 0 | 113.2 | F967 V968 I969 I975 L977 Y1024 | H965-F967 VanDerWaalsContact C-N 3.26Å; H965-F967 PolarHBondContact O-N 2.97Å; H965-V968 WeakPolarHBondContact O-CB 3.27Å; H965-V968 PolarHBondContact O-N 3.49Å; H965-V968 VanDerWaalsContact O-N 3.09Å; H965-I969 PolarHBondContact O-N 2.93Å; H965-I969 VanDerWaalsContact O-N 3.08Å; H965-I975 PolarHBondContact NE2-O 2.99Å; H965-L977 HydrophobicContact CB-CD2 4.39Å; H965-Y1024 AromaticContact ND1-CE2 3.85Å; H965-Y1024 AromaticContact ND1-CZ 3.7Å; H965-Y1024 PolarHBondContact ND1-OH 3.27Å |
| 966 | S | 85.2 | Confident | 89 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -34.2 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | M931 S964 S970 L989 | M931-S966 WeakPolarHBondContact CE-OG 3.25Å; S964-S966 PolarHBondContact O-N 2.93Å; S966-S970 PolarHBondContact O-N 3.24Å; S966-S970 VanDerWaalsContact O-N 3.12Å; S966-L989 VanDerWaalsContact O-CD2 3.29Å; S966-L989 WeakPolarHBondContact O-CD2 3.36Å |
| 967 | F | 88.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -37.5 | 175.5 | -176.4 | -89.4 | 0 | 0 | 0 | 111.2 | M931 L936 V958 L961 A962 S964 H965 I969 S970 S971 M1022 | M931-F967 HydrophobicContact SD-CB 4.17Å; L936-F967 HydrophobicContact CD2-CD2 3.84Å; L936-F967 HydrophobicContact CD2-CE2 3.63Å; V958-F967 HydrophobicContact CB-CZ 4.44Å; V958-F967 HydrophobicContact CG1-CE1 4.09Å; V958-F967 HydrophobicContact CG1-CZ 3.8Å; V958-F967 HydrophobicContact CG2-CZ 4.32Å; L961-F967 HydrophobicContact CB-CD1 4.49Å; L961-F967 HydrophobicContact CB-CD2 3.58Å; L961-F967 HydrophobicContact CB-CE2 3.74Å; L961-F967 HydrophobicContact CB-CG 3.96Å; L961-F967 HydrophobicContact CB-CZ 4.27Å; L961-F967 HydrophobicContact CD1-CD2 4.27Å; L961-F967 HydrophobicContact CD1-CE2 3.96Å; L961-F967 HydrophobicContact CG-CD2 4.48Å; L961-F967 WeakPolarHBondContact O-CB 3.26Å; A962-F967 HydrophobicContact CB-CD1 4.16Å; A962-F967 HydrophobicContact CB-CE1 4.24Å; S964-F967 WeakPolarHBondContact O-CB 3.38Å; S964-F967 PolarHBondContact O-N 3.14Å; H965-F967 VanDerWaalsContact C-N 3.26Å; H965-F967 PolarHBondContact O-N 2.97Å; F967-I969 PolarHBondContact O-N 3.35Å; F967-S970 WeakPolarHBondContact O-CB 3.39Å; F967-S970 PolarHBondContact O-N 3.37Å; F967-S970 VanDerWaalsContact O-N 3.15Å; F967-S970 PolarHBondContact O-OG 2.91Å; F967-S971 WeakPolarHBondContact CE1-OG 3.49Å; F967-S971 PolarHBondContact O-N 3.2Å; F967-S971 PolarHBondContact O-OG 3.05Å; F967-M1022 HydrophobicContact CD1-SD 4.08Å; F967-M1022 HydrophobicContact CE1-SD 3.93Å |
| 968 | V | 89.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 176 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | S964 H965 S970 S971 G972 G973 M1022 Y1024 D1025 I1028 | S964-V968 PolarHBondContact O-N 3.26Å; H965-V968 WeakPolarHBondContact O-CB 3.27Å; H965-V968 PolarHBondContact O-N 3.49Å; H965-V968 VanDerWaalsContact O-N 3.09Å; V968-S970 VanDerWaalsContact C-N 3.32Å; V968-S970 PolarHBondContact O-N 3.44Å; V968-S971 CarbonylContact O-C 3.51Å; V968-S971 WeakPolarHBondContact O-CA 3.29Å; V968-S971 WeakPolarHBondContact O-CB 3.39Å; V968-S971 PolarHBondContact O-N 3.14Å; V968-G972 PolarHBondContact O-N 2.78Å; V968-G973 PolarHBondContact O-N 3.47Å; V968-M1022 HydrophobicContact CG1-CB 4.35Å; V968-M1022 HydrophobicContact CG2-CB 4.41Å; V968-M1022 HydrophobicContact CG2-CG 4.04Å; V968-Y1024 HydrophobicContact CG2-CE1 4.32Å; V968-Y1024 WeakPolarHBondContact CG2-OH 3.42Å; V968-D1025 HydrophobicContact CG1-CB 3.8Å; V968-I1028 HydrophobicContact CG1-CD1 4.26Å; V968-I1028 HydrophobicContact CG1-CG1 3.68Å |
| 969 | I | 86.1 | Confident | 84.8 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.1 | -64.8 | 171.9 | 0 | 0 | 0 | 110.9 | H965 F967 S971 G972 I975 L977 L989 | H965-I969 PolarHBondContact O-N 2.93Å; H965-I969 VanDerWaalsContact O-N 3.08Å; F967-I969 PolarHBondContact O-N 3.35Å; I969-S971 PolarHBondContact O-N 2.96Å; I969-G972 PolarHBondContact O-N 3.38Å; I969-I975 WeakPolarHBondContact CD1-O 3.3Å; I969-L977 HydrophobicContact CD1-CB 4.43Å; I969-L977 HydrophobicContact CD1-CD1 3.62Å; I969-L977 HydrophobicContact CD1-CD2 4.45Å; I969-L977 HydrophobicContact CD1-CG 3.49Å; I969-L977 VanDerWaalsContact CD1-CG 3.49Å; I969-L989 HydrophobicContact CB-CD2 4.17Å; I969-L989 HydrophobicContact CG2-CD2 3.96Å |
| 970 | S | 84.1 | Confident | 83 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -26.9 | 176.7 | 85.1 | 0 | 0 | 0 | 0 | 112.4 | S966 F967 V968 G972 C991 R995 | S966-S970 PolarHBondContact O-N 3.24Å; S966-S970 VanDerWaalsContact O-N 3.12Å; F967-S970 WeakPolarHBondContact O-CB 3.39Å; F967-S970 PolarHBondContact O-N 3.37Å; F967-S970 VanDerWaalsContact O-N 3.15Å; F967-S970 PolarHBondContact O-OG 2.91Å; V968-S970 VanDerWaalsContact C-N 3.32Å; V968-S970 PolarHBondContact O-N 3.44Å; S970-G972 VanDerWaalsContact C-N 3.3Å; S970-C991 VanDerWaalsContact O-CA 3.24Å; S970-C991 WeakPolarHBondContact O-CA 3.43Å; S970-C991 PolarHBondContact O-SG 3.15Å; S970-R995 PolarHBondContact OG-NH1 3.39Å |
| 971 | S | 86.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.4 | 178 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | F967 V968 I969 R995 K1031 | F967-S971 WeakPolarHBondContact CE1-OG 3.49Å; F967-S971 PolarHBondContact O-N 3.2Å; F967-S971 PolarHBondContact O-OG 3.05Å; V968-S971 CarbonylContact O-C 3.51Å; V968-S971 WeakPolarHBondContact O-CA 3.29Å; V968-S971 WeakPolarHBondContact O-CB 3.39Å; V968-S971 PolarHBondContact O-N 3.14Å; I969-S971 PolarHBondContact O-N 2.96Å; S971-R995 PolarHBondContact OG-NH1 2.91Å; S971-K1031 WeakPolarHBondContact O-CD 3.46Å; S971-K1031 WeakPolarHBondContact O-CE 3.38Å; S971-K1031 PolarHBondContact O-NZ 2.84Å |
| 972 | G | 86.2 | Confident | 79.3 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.4 | 19 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | V968 I969 S970 | V968-G972 PolarHBondContact O-N 2.78Å; I969-G972 PolarHBondContact O-N 3.38Å; S970-G972 VanDerWaalsContact C-N 3.3Å |
| 973 | G | 86 | Confident | 77.3 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | trans | -61.1 | 153.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | V968 D1025 | V968-G973 PolarHBondContact O-N 3.47Å; G973-D1025 VanDerWaalsContact CA-CG 3.43Å; G973-D1025 VanDerWaalsContact CA-OD1 3.27Å; G973-D1025 WeakPolarHBondContact CA-OD1 3.39Å; G973-D1025 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 974 | T | 85.2 | Confident | 75.3 | Confident | 90 Ų | 90 | 51.1 Ų | 51.1 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | trans | -117 | -16.4 | -172.8 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | P976 D1025 G1027 | T974-P976 WeakPolarHBondContact O-CD 3.4Å; T974-D1025 PolarHBondContact N-OD1 3.38Å; T974-D1025 PolarHBondContact N-OD2 3Å; T974-D1025 PolarHBondContact OG1-OD1 3.45Å; T974-G1027 PolarHBondContact OG1-N 3.02Å; T974-G1027 VanDerWaalsContact OG1-N 3.12Å | ||
| 975 | I | 83.9 | Confident | 73.5 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 32% | 0.323 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -73.1 | 125.6 | 174.6 | -60.9 | 168.5 | 0 | 0 | 0 | 107.7 | H965 I969 Y1024 D1025 | H965-I975 PolarHBondContact NE2-O 2.99Å; I969-I975 WeakPolarHBondContact CD1-O 3.3Å; I975-Y1024 HydrophobicContact CD1-CD2 4Å; I975-Y1024 HydrophobicContact CD1-CE2 4.13Å; I975-D1025 WeakPolarHBondContact CB-OD2 3.4Å; I975-D1025 HydrophobicContact CD1-CB 4.18Å; I975-D1025 WeakPolarHBondContact CG1-OD2 3.45Å; I975-D1025 PolarHBondContact N-OD2 2.66Å |
| 976 | P | 76.9 | Confident | 71.5 | Confident | 103 Ų | 103 | 62.1 Ų | 62.1 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 148.4 | 179.3 | 27.8 | -31.6 | 0 | 0 | 0 | 112.1 | T974 | T974-P976 WeakPolarHBondContact O-CD 3.4Š|
| 977 | L | 71.7 | Confident | 69.6 | Low | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 138.8 | 172 | -76.6 | 147.3 | 0 | 0 | 0 | 111.6 | H965 I969 D981 A983 | H965-L977 HydrophobicContact CB-CD2 4.39Å; I969-L977 HydrophobicContact CD1-CB 4.43Å; I969-L977 HydrophobicContact CD1-CD1 3.62Å; I969-L977 HydrophobicContact CD1-CD2 4.45Å; I969-L977 HydrophobicContact CD1-CG 3.49Å; I969-L977 VanDerWaalsContact CD1-CG 3.49Å; L977-D981 HydrophobicContact CB-CB 4.47Å; L977-D981 HydrophobicContact CD2-CB 3.85Å; L977-D981 WeakPolarHBondContact CD2-OD2 3.34Å; L977-A983 HydrophobicContact CD1-CB 3.8Å; L977-A983 HydrophobicContact CD2-CB 4.1Å |
| 978 | D | 68.3 | Low | 67.7 | Low | 118 Ų | 118 | 74.8 Ų | 74.8 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 149.4 | 171.3 | -76.6 | -26.7 | 0 | 0 | 0 | 111.2 | T980 D981 | D978-T980 PolarHBondContact O-N 3.45Å; D978-D981 PolarHBondContact O-N 3.04Å |
| 979 | D | 57 | Low | 66 | Low | 142 Ų | 142 | 76.9 Ų | 76.9 | 76% | 0.759 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16 | -175.3 | -76.3 | -29.3 | 0 | 0 | 0 | 114.2 | K984 | D979-K984 IonicContact OD1-NZ 2.85Å; D979-K984 PolarHBondContact OD1-NZ 2.71Å |
| 980 | T | 57.1 | Low | 64.3 | Low | 126 Ų | 126 | 79 Ų | 79 | 77% | 0.773 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -13.8 | 177.5 | 44.8 | 0 | 0 | 0 | 0 | 114.3 | D978 I982 | D978-T980 PolarHBondContact O-N 3.45Å; T980-I982 PolarHBondContact O-N 2.75Å |
| 981 | D | 55.6 | Low | 63 | Low | 51 Ų | 51 | 82 Ų | 82 | 27% | 0.273 | 45% | 0.45 | S | S | . | . | trans | -79.1 | 123.9 | -174.2 | -85.4 | -37.1 | 0 | 0 | 0 | 112.5 | L977 D978 A983 K984 | L977-D981 HydrophobicContact CB-CB 4.47Å; L977-D981 HydrophobicContact CD2-CB 3.85Å; L977-D981 WeakPolarHBondContact CD2-OD2 3.34Å; D978-D981 PolarHBondContact O-N 3.04Å; D981-A983 HydrophobicContact CB-CB 4.41Å; D981-A983 PolarHBondContact O-N 3.05Å; D981-K984 PolarHBondContact O-N 2.88Å; D981-K984 VanDerWaalsContact O-N 3.16Å | ||
| 982 | I | 56.4 | Low | 61.7 | Low | 131 Ų | 131 | 83.5 Ų | 83.5 | 67% | 0.672 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -49.9 | -27.2 | 175.9 | -61.3 | 170.3 | 0 | 0 | 0 | 111.3 | T980 K984 K985 | T980-I982 PolarHBondContact O-N 2.75Å; I982-K984 VanDerWaalsContact C-N 3.32Å; I982-K984 PolarHBondContact O-N 3.35Å; I982-K985 PolarHBondContact O-N 2.84Å |
| 983 | A | 50.4 | Low | 60.6 | Low | 8 Ų | 8 | 87.3 Ų | 87.3 | 7% | 0.066 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -57.6 | -32.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y928 L977 D981 K985 S986 | Y928-A983 HydrophobicContact CD1-CB 4.35Å; Y928-A983 HydrophobicContact CE1-CB 3.92Å; L977-A983 HydrophobicContact CD1-CB 3.8Å; L977-A983 HydrophobicContact CD2-CB 4.1Å; D981-A983 HydrophobicContact CB-CB 4.41Å; D981-A983 PolarHBondContact O-N 3.05Å; A983-K985 PolarHBondContact O-N 3.06Å; A983-K985 VanDerWaalsContact O-N 3.13Å; A983-S986 PolarHBondContact O-N 3.42Å; A983-S986 VanDerWaalsContact O-N 3.11Å |
| 984 | K | 50.9 | Low | 60.4 | Low | 112 Ų | 112 | 90.5 Ų | 90.5 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -60.8 | -26.6 | -178.7 | -115.5 | -178.6 | -170.9 | 176.4 | 0 | 113 | D979 D981 I982 S986 | D979-K984 IonicContact OD1-NZ 2.85Å; D979-K984 PolarHBondContact OD1-NZ 2.71Å; D981-K984 PolarHBondContact O-N 2.88Å; D981-K984 VanDerWaalsContact O-N 3.16Å; I982-K984 VanDerWaalsContact C-N 3.32Å; I982-K984 PolarHBondContact O-N 3.35Å; K984-S986 VanDerWaalsContact C-N 3.34Å |
| 985 | K | 50 | Low | 60.6 | Low | 198 Ų | 198 | 86.4 Ų | 86.4 | 86% | 0.861 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -76.5 | -15.8 | 179.9 | -78.6 | -178 | 177.2 | 175.6 | 0 | 114.4 | I982 A983 | I982-K985 PolarHBondContact O-N 2.84Å; A983-K985 PolarHBondContact O-N 3.06Å; A983-K985 VanDerWaalsContact O-N 3.13Å |
| 986 | S | 46.9 | Very low | 61 | Low | 67 Ų | 67 | 83.4 Ų | 83.4 | 47% | 0.469 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -119.9 | 37.9 | -169.6 | -63.6 | 0 | 0 | 0 | 0 | 113.3 | A983 K984 H988 | A983-S986 PolarHBondContact O-N 3.42Å; A983-S986 VanDerWaalsContact O-N 3.11Å; K984-S986 VanDerWaalsContact C-N 3.34Å; S986-H988 VanDerWaalsContact C-N 3.26Å; S986-H988 PolarHBondContact O-N 2.77Å |
| 987 | L | 45 | Very low | 61.7 | Low | 128 Ų | 128 | 83 Ų | 83 | 67% | 0.67 | 44% | 0.439 | S | S | * | . | trans | -67.3 | 76.1 | -174.2 | -157.2 | 86.1 | 0 | 0 | 0 | 112.8 | L989 | L987-L989 HydrophobicContact CD1-CD1 4.44Š| ||
| 988 | H | 49.2 | Very low | 62.7 | Low | 143 Ų | 143 | 83 Ų | 83 | 66% | 0.662 | 44% | 0.439 | S | S | * | . | trans | -119.2 | 42 | 162.2 | -73.6 | -2.7 | 0 | 0 | 0 | 109.4 | H934 S986 T990 | H934-H988 AromaticContact CE1-CD2 3.68Å; S986-H988 VanDerWaalsContact C-N 3.26Å; S986-H988 PolarHBondContact O-N 2.77Å; H988-T990 PolarHBondContact O-N 3.12Å | ||
| 989 | L | 52.2 | Low | 63.9 | Low | 44 Ų | 44 | 77.5 Ų | 77.5 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | trans | -77.1 | 90.2 | 177.1 | -82.4 | 73.1 | 0 | 0 | 0 | 109 | M931 S966 I969 L987 C991 | M931-L989 HydrophobicContact CE-CD2 4.45Å; M931-L989 HydrophobicContact CE-CG 4.32Å; S966-L989 VanDerWaalsContact O-CD2 3.29Å; S966-L989 WeakPolarHBondContact O-CD2 3.36Å; I969-L989 HydrophobicContact CB-CD2 4.17Å; I969-L989 HydrophobicContact CG2-CD2 3.96Å; L987-L989 HydrophobicContact CD1-CD1 4.44Å; L989-C991 PolarHBondContact O-N 3.16Å | ||
| 990 | T | 51.8 | Low | 65.7 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | trans | -63.7 | 112.1 | 162.6 | 44.3 | 0 | 0 | 0 | 0 | 108.3 | H988 S992 | H988-T990 PolarHBondContact O-N 3.12Å; T990-S992 PolarHBondContact O-N 3.06Å | ||
| 991 | C | 54.9 | Low | 67.4 | Low | 64 Ų | 64 | 68.2 Ų | 68.2 | 43% | 0.432 | 36% | 0.355 | S | S | . | . | trans | -78.6 | 104.4 | 175.8 | -170.6 | 0 | 0 | 0 | 0 | 109.3 | S970 L989 T993 | S970-C991 VanDerWaalsContact O-CA 3.24Å; S970-C991 WeakPolarHBondContact O-CA 3.43Å; S970-C991 PolarHBondContact O-SG 3.15Å; L989-C991 PolarHBondContact O-N 3.16Å; C991-T993 PolarHBondContact O-N 3.42Å | ||
| 992 | S | 60.9 | Low | 69.3 | Low | 31 Ų | 31 | 66.4 Ų | 66.4 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | trans | -74.5 | 114.8 | 168.4 | 57.7 | 0 | 0 | 0 | 0 | 108.4 | D940 T990 E994 R995 | D940-S992 VanDerWaalsContact OD2-CB 3.25Å; D940-S992 WeakPolarHBondContact OD2-CB 3.24Å; D940-S992 PolarHBondContact OD2-OG 2.89Å; T990-S992 PolarHBondContact O-N 3.06Å; S992-E994 PolarHBondContact O-N 3.18Å; S992-R995 PolarHBondContact OG-NH2 2.89Å; S992-R995 VanDerWaalsContact OG-NH2 3.08Å | ||
| 993 | T | 63.1 | Low | 71 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.4 | -176 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | C991 | C991-T993 PolarHBondContact O-N 3.42Š|
| 994 | E | 81.4 | Confident | 73 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -9.6 | -170.7 | -57.5 | -57.1 | 109.9 | 0 | 0 | 115.1 | F944 S992 V996 K997 L998 | F944-E994 HydrophobicContact CZ-CB 4.38Å; S992-E994 PolarHBondContact O-N 3.18Å; E994-V996 PolarHBondContact O-N 3.09Å; E994-K997 WeakPolarHBondContact O-CB 3.24Å; E994-K997 PolarHBondContact O-N 2.8Å; E994-K997 WeakPolarHBondContact OE2-CD 3.38Å; E994-K997 IonicContact OE2-NZ 2.77Å; E994-K997 PolarHBondContact OE2-NZ 2.95Å; E994-L998 PolarHBondContact O-N 3.31Å |
| 995 | R | 89.5 | Confident | 74.9 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.011 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | -174.3 | -171.7 | -173.7 | -62.4 | 129.4 | 0.6 | 112.9 | D940 L943 S970 S971 S992 K997 L998 L999 | D940-R995 IonicContact OD1-CZ 3.31Å; D940-R995 VanDerWaalsContact OD1-CZ 3.26Å; D940-R995 IonicContact OD1-NE 2.74Å; D940-R995 PolarHBondContact OD1-NE 3.36Å; D940-R995 IonicContact OD1-NH2 3.98Å; D940-R995 PolarHBondContact OD1-NH2 3.29Å; D940-R995 IonicContact OD2-CZ 2.95Å; D940-R995 IonicContact OD2-NE 3.85Å; D940-R995 IonicContact OD2-NH2 2.8Å; D940-R995 PolarHBondContact OD2-NH2 3.24Å; L943-R995 HydrophobicContact CD1-CG 4.17Å; S970-R995 PolarHBondContact OG-NH1 3.39Å; S971-R995 PolarHBondContact OG-NH1 2.91Å; S992-R995 PolarHBondContact OG-NH2 2.89Å; S992-R995 VanDerWaalsContact OG-NH2 3.08Å; R995-K997 VanDerWaalsContact C-N 3.31Å; R995-K997 PolarHBondContact O-N 2.87Å; R995-L998 PolarHBondContact O-N 3.12Å; R995-L999 HydrophobicContact CG-CD1 4.34Å; R995-L999 WeakPolarHBondContact O-CG 3.3Å; R995-L999 PolarHBondContact O-N 3.43Å |
| 996 | V | 91.4 | Very high | 76.6 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 179.1 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | E994 L998 L999 V1000 L1019 I1028 K1031 I1032 | E994-V996 PolarHBondContact O-N 3.09Å; V996-L998 PolarHBondContact O-N 2.94Å; V996-L999 PolarHBondContact O-N 3.29Å; V996-V1000 VanDerWaalsContact O-CG2 3.29Å; V996-V1000 WeakPolarHBondContact O-CG2 3.11Å; V996-V1000 PolarHBondContact O-N 3.21Å; V996-L1019 HydrophobicContact CG1-CD2 4.25Å; V996-I1028 HydrophobicContact CG1-CG2 4.43Å; V996-I1028 HydrophobicContact CG2-CD1 3.99Å; V996-K1031 HydrophobicContact CB-CB 4.11Å; V996-K1031 HydrophobicContact CB-CD 4.37Å; V996-K1031 HydrophobicContact CG1-CB 3.84Å; V996-K1031 HydrophobicContact CG2-CB 4.43Å; V996-K1031 HydrophobicContact CG2-CD 4.12Å; V996-I1032 HydrophobicContact CG1-CG1 3.54Å |
| 997 | K | 92.2 | Very high | 78.5 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.3 | 175.8 | -175.1 | 174.5 | -170.4 | 0 | 111.3 | E994 R995 V1000 L1001 V1035 | E994-K997 WeakPolarHBondContact O-CB 3.24Å; E994-K997 PolarHBondContact O-N 2.8Å; E994-K997 WeakPolarHBondContact OE2-CD 3.38Å; E994-K997 IonicContact OE2-NZ 2.77Å; E994-K997 PolarHBondContact OE2-NZ 2.95Å; R995-K997 VanDerWaalsContact C-N 3.31Å; R995-K997 PolarHBondContact O-N 2.87Å; K997-V1000 PolarHBondContact O-N 2.94Å; K997-L1001 HydrophobicContact CG-CD1 4.46Å; K997-L1001 WeakPolarHBondContact O-CG 3.21Å; K997-L1001 PolarHBondContact O-N 3.34Å; K997-V1035 HydrophobicContact CB-CG2 3.95Å; K997-V1035 HydrophobicContact CG-CG1 4.39Å; K997-V1035 HydrophobicContact CG-CG2 3.89Å |
| 998 | L | 91.5 | Very high | 80.6 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.7 | -170.5 | 66.5 | 0 | 0 | 0 | 111.8 | L943 F944 E994 R995 V996 V1000 L1001 Y1002 | L943-L998 HydrophobicContact CB-CD2 3.75Å; F944-L998 HydrophobicContact CD1-CD1 4.47Å; F944-L998 HydrophobicContact CD1-CD2 4.02Å; F944-L998 HydrophobicContact CE1-CD1 4.21Å; F944-L998 HydrophobicContact CE1-CD2 3.8Å; F944-L998 HydrophobicContact CE1-CG 4.5Å; F944-L998 HydrophobicContact CE2-CD2 4.39Å; F944-L998 HydrophobicContact CG-CD2 4.42Å; F944-L998 HydrophobicContact CZ-CD2 3.99Å; E994-L998 PolarHBondContact O-N 3.31Å; R995-L998 PolarHBondContact O-N 3.12Å; V996-L998 PolarHBondContact O-N 2.94Å; L998-V1000 VanDerWaalsContact C-N 3.29Å; L998-V1000 PolarHBondContact O-N 2.97Å; L998-L1001 PolarHBondContact O-N 2.8Å; L998-L1001 VanDerWaalsContact O-N 3.11Å; L998-Y1002 HydrophobicContact CD1-CD1 4.46Å; L998-Y1002 HydrophobicContact CD1-CE1 3.76Å; L998-Y1002 HydrophobicContact CD1-CE2 4.14Å; L998-Y1002 HydrophobicContact CD2-CE2 3.78Å; L998-Y1002 HydrophobicContact CG-CD2 4.14Å; L998-Y1002 HydrophobicContact CG-CE1 4.12Å; L998-Y1002 HydrophobicContact CG-CE2 3.6Å; L998-Y1002 PolarHBondContact O-N 2.69Å |
| 999 | L | 94.2 | Very high | 82.6 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | 175.5 | -68.9 | 170.4 | 0 | 0 | 0 | 112.2 | T955 V958 R995 V996 Y1002 C1003 A1015 A1018 L1019 M1022 | T955-L999 HydrophobicContact CG2-CD2 3.9Å; V958-L999 HydrophobicContact CG1-CD1 4.09Å; V958-L999 HydrophobicContact CG1-CD2 4.16Å; R995-L999 HydrophobicContact CG-CD1 4.34Å; R995-L999 WeakPolarHBondContact O-CG 3.3Å; R995-L999 PolarHBondContact O-N 3.43Å; V996-L999 PolarHBondContact O-N 3.29Å; L999-Y1002 PolarHBondContact O-N 3.28Å; L999-C1003 PolarHBondContact O-N 2.91Å; L999-C1003 VanDerWaalsContact O-N 3.09Å; L999-C1003 PolarHBondContact O-SG 3.49Å; L999-C1003 VanDerWaalsContact O-SG 3.38Å; L999-A1015 HydrophobicContact CD2-CB 4.21Å; L999-A1018 HydrophobicContact CD1-CB 4.06Å; L999-A1018 HydrophobicContact CD2-CB 4.27Å; L999-L1019 HydrophobicContact CB-CD1 4.45Å; L999-L1019 HydrophobicContact CB-CD2 3.86Å; L999-L1019 HydrophobicContact CB-CG 4.08Å; L999-L1019 HydrophobicContact CD1-CD2 4.27Å; L999-M1022 HydrophobicContact CD1-CE 3.58Å |
| 1000 | V | 94.7 | Very high | 84.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | V996 K997 L998 C1003 L1019 I1032 V1035 W1038 I1041 | V996-V1000 VanDerWaalsContact O-CG2 3.29Å; V996-V1000 WeakPolarHBondContact O-CG2 3.11Å; V996-V1000 PolarHBondContact O-N 3.21Å; K997-V1000 PolarHBondContact O-N 2.94Å; L998-V1000 VanDerWaalsContact C-N 3.29Å; L998-V1000 PolarHBondContact O-N 2.97Å; V1000-C1003 VanDerWaalsContact O-CB 3.32Å; V1000-C1003 WeakPolarHBondContact O-CB 3.43Å; V1000-C1003 PolarHBondContact O-N 3.33Å; V1000-L1019 HydrophobicContact CG2-CD1 3.79Å; V1000-L1019 HydrophobicContact CG2-CD2 4.28Å; V1000-I1032 HydrophobicContact CG2-CB 4.21Å; V1000-I1032 HydrophobicContact CG2-CG1 4.03Å; V1000-I1032 HydrophobicContact CG2-CG2 3.73Å; V1000-V1035 HydrophobicContact CB-CG1 4.39Å; V1000-V1035 HydrophobicContact CB-CG2 4.15Å; V1000-V1035 HydrophobicContact CG1-CB 4.05Å; V1000-V1035 HydrophobicContact CG1-CG1 3.89Å; V1000-V1035 HydrophobicContact CG1-CG2 4.24Å; V1000-V1035 HydrophobicContact CG2-CG2 4.27Å; V1000-W1038 HydrophobicContact CG1-CB 4.26Å; V1000-I1041 HydrophobicContact CG1-CD1 4.13Å; V1000-I1041 WeakPolarHBondContact O-CD1 3.19Å |
| 1001 | L | 93.3 | Very high | 86.4 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -41 | 176.7 | -64.9 | 175.2 | 0 | 0 | 0 | 112.1 | K997 L998 C1003 G1004 V1035 | K997-L1001 HydrophobicContact CG-CD1 4.46Å; K997-L1001 WeakPolarHBondContact O-CG 3.21Å; K997-L1001 PolarHBondContact O-N 3.34Å; L998-L1001 PolarHBondContact O-N 2.8Å; L998-L1001 VanDerWaalsContact O-N 3.11Å; L1001-C1003 PolarHBondContact O-N 3.23Å; L1001-G1004 WeakPolarHBondContact O-CA 3.31Å; L1001-G1004 PolarHBondContact O-N 3.34Å; L1001-V1035 HydrophobicContact CD2-CG1 4.27Å |
| 1002 | Y | 94.3 | Very high | 88.2 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -23.9 | 175.5 | -69.9 | -13.6 | 0 | 0 | 0 | 113.8 | L943 R951 L998 L999 G1004 E1005 L1011 V1012 | L943-Y1002 PolarHBondContact O-OH 3.37Å; R951-Y1002 VanDerWaalsContact CD-CZ 3.49Å; R951-Y1002 WeakPolarHBondContact CD-OH 3.33Å; R951-Y1002 HydrophobicContact CG-CE2 3.85Å; L998-Y1002 HydrophobicContact CD1-CD1 4.46Å; L998-Y1002 HydrophobicContact CD1-CE1 3.76Å; L998-Y1002 HydrophobicContact CD1-CE2 4.14Å; L998-Y1002 HydrophobicContact CD2-CE2 3.78Å; L998-Y1002 HydrophobicContact CG-CD2 4.14Å; L998-Y1002 HydrophobicContact CG-CE1 4.12Å; L998-Y1002 HydrophobicContact CG-CE2 3.6Å; L998-Y1002 PolarHBondContact O-N 2.69Å; L999-Y1002 PolarHBondContact O-N 3.28Å; Y1002-G1004 PolarHBondContact O-N 3.38Å; Y1002-E1005 PolarHBondContact O-N 3.13Å; Y1002-L1011 HydrophobicContact CD1-CD2 4.08Å; Y1002-L1011 HydrophobicContact CD2-CD1 3.91Å; Y1002-L1011 HydrophobicContact CD2-CD2 4.47Å; Y1002-L1011 HydrophobicContact CD2-CG 4.42Å; Y1002-L1011 HydrophobicContact CE2-CD1 4.41Å; Y1002-L1011 HydrophobicContact CG-CD1 4.2Å; Y1002-L1011 HydrophobicContact CG-CD2 4.03Å; Y1002-L1011 HydrophobicContact CG-CG 4.2Å; Y1002-V1012 WeakPolarHBondContact O-CG2 3.47Å |
| 1003 | C | 94 | Very high | 89.8 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20 | 168 | -75.4 | 0 | 0 | 0 | 0 | 113.5 | L999 V1000 L1001 S1016 I1041 L1045 | L999-C1003 PolarHBondContact O-N 2.91Å; L999-C1003 VanDerWaalsContact O-N 3.09Å; L999-C1003 PolarHBondContact O-SG 3.49Å; L999-C1003 VanDerWaalsContact O-SG 3.38Å; V1000-C1003 VanDerWaalsContact O-CB 3.32Å; V1000-C1003 WeakPolarHBondContact O-CB 3.43Å; V1000-C1003 PolarHBondContact O-N 3.33Å; L1001-C1003 PolarHBondContact O-N 3.23Å; C1003-S1016 VanDerWaalsContact SG-CA 3.59Å; C1003-S1016 PolarHBondContact SG-N 3.48Å; C1003-S1016 VanDerWaalsContact SG-N 3.4Å; C1003-I1041 HydrophobicContact CB-CG2 3.49Å; C1003-I1041 VanDerWaalsContact CB-CG2 3.49Å; C1003-L1045 HydrophobicContact CB-CD1 3.68Å; C1003-L1045 HydrophobicContact CB-CG 4.46Å |
| 1004 | G | 92 | Very high | 91.3 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 39% | 0.392 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -11.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1001 Y1002 L1006 | L1001-G1004 WeakPolarHBondContact O-CA 3.31Å; L1001-G1004 PolarHBondContact O-N 3.34Å; Y1002-G1004 PolarHBondContact O-N 3.38Å; G1004-L1006 VanDerWaalsContact C-N 3.28Å; G1004-L1006 PolarHBondContact O-N 3.41Å |
| 1005 | E | 90.6 | Very high | 92 | Very high | 70 Ų | 70 | 36.4 Ų | 36.4 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | trans | -80.9 | 68.3 | -179.8 | -67.9 | -168.6 | -178 | 0 | 0 | 111.6 | R951 Y1002 D1007 D1008 L1011 V1012 | R951-E1005 IonicContact NH1-OE1 3.18Å; R951-E1005 IonicContact NH1-OE2 2.74Å; R951-E1005 PolarHBondContact NH1-OE2 2.99Å; Y1002-E1005 PolarHBondContact O-N 3.13Å; E1005-D1007 PolarHBondContact O-N 3.45Å; E1005-D1008 PolarHBondContact O-N 2.98Å; E1005-L1011 HydrophobicContact CB-CD2 4.45Å; E1005-L1011 VanDerWaalsContact OE2-CD2 3.23Å; E1005-L1011 WeakPolarHBondContact OE2-CD2 3.22Å; E1005-V1012 WeakPolarHBondContact O-CG2 3.49Å | ||
| 1006 | L | 85.4 | Confident | 92.2 | Very high | 65 Ų | 65 | 36.2 Ų | 36.2 | 34% | 0.34 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.7 | -174.7 | -64.5 | 178.5 | 0 | 0 | 0 | 115 | G1004 D1008 T1044 | G1004-L1006 VanDerWaalsContact C-N 3.28Å; G1004-L1006 PolarHBondContact O-N 3.41Å; L1006-D1008 PolarHBondContact O-N 3.15Å; L1006-T1044 HydrophobicContact CD1-CG2 3.77Å |
| 1007 | D | 86.5 | Confident | 92.4 | Very high | 173 Ų | 173 | 36.9 Ų | 36.9 | 93% | 0.925 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.4 | 172 | -61.6 | -32.2 | 0 | 0 | 0 | 112.1 | E1005 | E1005-D1007 PolarHBondContact O-N 3.45Š|
| 1008 | D | 89.3 | Confident | 92.5 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | trans | -125.5 | 78.4 | -178 | -168.4 | -13.2 | 0 | 0 | 0 | 112 | R952 E1005 L1006 L1010 L1011 V1012 | R952-D1008 VanDerWaalsContact CZ-CG 3.45Å; R952-D1008 IonicContact CZ-OD1 2.59Å; R952-D1008 VanDerWaalsContact CZ-OD1 3.26Å; R952-D1008 IonicContact CZ-OD2 3.74Å; R952-D1008 IonicContact NE-OD1 3.4Å; R952-D1008 PolarHBondContact NE-OD1 3.29Å; R952-D1008 VanDerWaalsContact NE-OD1 3.09Å; R952-D1008 IonicContact NE-OD2 3.73Å; R952-D1008 PolarHBondContact NE-OD2 3Å; R952-D1008 IonicContact NH2-OD1 2.71Å; R952-D1008 PolarHBondContact NH2-OD1 3.46Å; R952-D1008 IonicContact NH2-OD2 3.07Å; R952-D1008 PolarHBondContact NH2-OD2 3.29Å; E1005-D1008 PolarHBondContact O-N 2.98Å; L1006-D1008 PolarHBondContact O-N 3.15Å; D1008-L1010 PolarHBondContact O-N 3.3Å; D1008-L1010 VanDerWaalsContact O-N 3.09Å; D1008-L1010 PolarHBondContact OD1-N 3.31Å; D1008-L1011 HydrophobicContact CB-CB 3.89Å; D1008-L1011 HydrophobicContact CB-CD2 4.5Å; D1008-L1011 WeakPolarHBondContact O-CB 3.42Å; D1008-L1011 PolarHBondContact O-N 3.31Å; D1008-L1011 PolarHBondContact OD1-N 2.92Å; D1008-L1011 VanDerWaalsContact OD1-N 3.16Å; D1008-V1012 WeakPolarHBondContact O-CG2 3.49Å; D1008-V1012 PolarHBondContact O-N 3.31Å | ||
| 1009 | L | 90.5 | Very high | 92.7 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.3 | -27.2 | -177.2 | -63.9 | 179.9 | 0 | 0 | 0 | 113.9 | R1013 L1053 D1103 L1107 | L1009-R1013 VanDerWaalsContact O-CB 3.26Å; L1009-R1013 WeakPolarHBondContact O-CB 3.23Å; L1009-R1013 PolarHBondContact O-N 3.2Å; L1009-L1053 HydrophobicContact CD2-CD1 4.25Å; L1009-D1103 WeakPolarHBondContact CD1-O 3.19Å; L1009-L1107 HydrophobicContact CB-CD2 3.97Å; L1009-L1107 HydrophobicContact CB-CG 4.39Å; L1009-L1107 WeakPolarHBondContact O-CD2 3.5Å |
| 1010 | L | 90.7 | Very high | 92.8 | Very high | 70 Ų | 70 | 31.9 Ų | 31.9 | 37% | 0.366 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72 | -42.1 | 176.5 | -72.4 | 174.9 | 0 | 0 | 0 | 111.4 | D1008 R1013 A1014 L1107 | D1008-L1010 PolarHBondContact O-N 3.3Å; D1008-L1010 VanDerWaalsContact O-N 3.09Å; D1008-L1010 PolarHBondContact OD1-N 3.31Å; L1010-R1013 PolarHBondContact O-N 3.39Å; L1010-A1014 PolarHBondContact O-N 3.39Å; L1010-L1107 HydrophobicContact CD2-CD2 4.3Å |
| 1011 | L | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 172.4 | 179.7 | 64.8 | 0 | 0 | 0 | 110.9 | R951 R952 T955 Y1002 E1005 D1008 R1013 A1014 A1015 | R951-L1011 HydrophobicContact CG-CD1 4.26Å; R952-L1011 HydrophobicContact CG-CB 4.17Å; T955-L1011 HydrophobicContact CG2-CD1 3.98Å; T955-L1011 VanDerWaalsContact OG1-CD1 3.27Å; T955-L1011 WeakPolarHBondContact OG1-CD1 3.09Å; Y1002-L1011 HydrophobicContact CD1-CD2 4.08Å; Y1002-L1011 HydrophobicContact CD2-CD1 3.91Å; Y1002-L1011 HydrophobicContact CD2-CD2 4.47Å; Y1002-L1011 HydrophobicContact CD2-CG 4.42Å; Y1002-L1011 HydrophobicContact CE2-CD1 4.41Å; Y1002-L1011 HydrophobicContact CG-CD1 4.2Å; Y1002-L1011 HydrophobicContact CG-CD2 4.03Å; Y1002-L1011 HydrophobicContact CG-CG 4.2Å; E1005-L1011 HydrophobicContact CB-CD2 4.45Å; E1005-L1011 VanDerWaalsContact OE2-CD2 3.23Å; E1005-L1011 WeakPolarHBondContact OE2-CD2 3.22Å; D1008-L1011 HydrophobicContact CB-CB 3.89Å; D1008-L1011 HydrophobicContact CB-CD2 4.5Å; D1008-L1011 WeakPolarHBondContact O-CB 3.42Å; D1008-L1011 PolarHBondContact O-N 3.31Å; D1008-L1011 PolarHBondContact OD1-N 2.92Å; D1008-L1011 VanDerWaalsContact OD1-N 3.16Å; L1011-R1013 VanDerWaalsContact C-N 3.31Å; L1011-R1013 PolarHBondContact O-N 3.21Å; L1011-A1014 PolarHBondContact O-N 3.41Å; L1011-A1015 WeakPolarHBondContact O-CB 3.46Å; L1011-A1015 PolarHBondContact O-N 3.16Å |
| 1012 | V | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.6 | -43 | 178.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | Y1002 E1005 D1008 A1015 S1016 L1045 L1053 | Y1002-V1012 WeakPolarHBondContact O-CG2 3.47Å; E1005-V1012 WeakPolarHBondContact O-CG2 3.49Å; D1008-V1012 WeakPolarHBondContact O-CG2 3.49Å; D1008-V1012 PolarHBondContact O-N 3.31Å; V1012-A1015 PolarHBondContact O-N 3.45Å; V1012-S1016 VanDerWaalsContact O-CB 3.28Å; V1012-S1016 WeakPolarHBondContact O-CB 3.29Å; V1012-S1016 PolarHBondContact O-N 3.36Å; V1012-S1016 PolarHBondContact O-OG 3.27Å; V1012-L1045 HydrophobicContact CG1-CD2 3.47Å; V1012-L1045 VanDerWaalsContact CG1-CD2 3.47Å; V1012-L1053 HydrophobicContact CG1-CD1 3.9Å; V1012-L1053 HydrophobicContact CG1-CD2 4.06Å |
| 1013 | R | 93.3 | Very high | 92.7 | Very high | 87 Ų | 87 | 29.8 Ų | 29.8 | 33% | 0.328 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.6 | 173.3 | -179.6 | 164.7 | 175.3 | -0.9 | 112 | L1009 L1010 L1011 S1016 G1017 L1053 L1107 | L1009-R1013 VanDerWaalsContact O-CB 3.26Å; L1009-R1013 WeakPolarHBondContact O-CB 3.23Å; L1009-R1013 PolarHBondContact O-N 3.2Å; L1010-R1013 PolarHBondContact O-N 3.39Å; L1011-R1013 VanDerWaalsContact C-N 3.31Å; L1011-R1013 PolarHBondContact O-N 3.21Å; R1013-S1016 PolarHBondContact O-OG 2.71Å; R1013-G1017 PolarHBondContact O-N 2.91Å; R1013-L1053 HydrophobicContact CB-CD2 4.1Å; R1013-L1107 HydrophobicContact CB-CD2 3.99Å; R1013-L1107 PolarHBondContact NH1-O 3.12Å |
| 1014 | A | 94.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T955 E956 A959 L1010 L1011 G1017 A1018 | T955-A1014 HydrophobicContact CG2-CB 3.72Å; E956-A1014 HydrophobicContact CB-CB 4.2Å; A959-A1014 WeakPolarHBondContact CB-O 3.44Å; L1010-A1014 PolarHBondContact O-N 3.39Å; L1011-A1014 PolarHBondContact O-N 3.41Å; A1014-G1017 PolarHBondContact O-N 2.87Å; A1014-A1018 PolarHBondContact O-N 2.89Å |
| 1015 | A | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T955 L999 L1011 V1012 G1017 A1018 L1019 | T955-A1015 HydrophobicContact CG2-CB 3.92Å; L999-A1015 HydrophobicContact CD2-CB 4.21Å; L1011-A1015 WeakPolarHBondContact O-CB 3.46Å; L1011-A1015 PolarHBondContact O-N 3.16Å; V1012-A1015 PolarHBondContact O-N 3.45Å; A1015-G1017 VanDerWaalsContact C-N 3.29Å; A1015-G1017 PolarHBondContact O-N 3.3Å; A1015-A1018 WeakPolarHBondContact O-CB 3.19Å; A1015-A1018 PolarHBondContact O-N 3.45Å; A1015-L1019 WeakPolarHBondContact O-CG 3.41Å; A1015-L1019 PolarHBondContact O-N 3.25Å |
| 1016 | S | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -33.7 | 177 | 57.9 | 0 | 0 | 0 | 0 | 112 | C1003 V1012 R1013 L1019 A1020 R1056 | C1003-S1016 VanDerWaalsContact SG-CA 3.59Å; C1003-S1016 PolarHBondContact SG-N 3.48Å; C1003-S1016 VanDerWaalsContact SG-N 3.4Å; V1012-S1016 VanDerWaalsContact O-CB 3.28Å; V1012-S1016 WeakPolarHBondContact O-CB 3.29Å; V1012-S1016 PolarHBondContact O-N 3.36Å; V1012-S1016 PolarHBondContact O-OG 3.27Å; R1013-S1016 PolarHBondContact O-OG 2.71Å; S1016-L1019 PolarHBondContact O-N 2.94Å; S1016-A1020 VanDerWaalsContact O-CB 3.23Å; S1016-A1020 WeakPolarHBondContact O-CB 3.25Å; S1016-A1020 PolarHBondContact O-N 3.45Å; S1016-R1056 WeakPolarHBondContact OG-CD 3.35Å |
| 1017 | G | 94.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1013 A1014 A1015 S1021 | R1013-G1017 PolarHBondContact O-N 2.91Å; A1014-G1017 PolarHBondContact O-N 2.87Å; A1015-G1017 VanDerWaalsContact C-N 3.29Å; A1015-G1017 PolarHBondContact O-N 3.3Å; G1017-S1021 WeakPolarHBondContact O-CB 3.48Å; G1017-S1021 PolarHBondContact O-N 3.15Å; G1017-S1021 VanDerWaalsContact O-N 3.12Å; G1017-S1021 PolarHBondContact O-OG 3.39Å |
| 1018 | A | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -50 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V958 A959 A962 L999 A1014 A1015 A1020 S1021 M1022 | V958-A1018 HydrophobicContact CG1-CB 4.23Å; A959-A1018 HydrophobicContact CB-CB 4.04Å; A962-A1018 HydrophobicContact CB-CB 4.21Å; L999-A1018 HydrophobicContact CD1-CB 4.06Å; L999-A1018 HydrophobicContact CD2-CB 4.27Å; A1014-A1018 PolarHBondContact O-N 2.89Å; A1015-A1018 WeakPolarHBondContact O-CB 3.19Å; A1015-A1018 PolarHBondContact O-N 3.45Å; A1018-A1020 PolarHBondContact O-N 2.84Å; A1018-S1021 PolarHBondContact O-N 3.13Å; A1018-S1021 VanDerWaalsContact O-N 3.17Å; A1018-M1022 HydrophobicContact CB-CE 4.23Å; A1018-M1022 WeakPolarHBondContact O-CE 3.37Å; A1018-M1022 WeakPolarHBondContact O-CG 3.27Å; A1018-M1022 PolarHBondContact O-N 2.63Å; A1018-M1022 VanDerWaalsContact O-N 3.09Å |
| 1019 | L | 95.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 179.4 | -67.5 | -178.8 | 0 | 0 | 0 | 112.3 | V996 L999 V1000 A1015 S1016 S1021 M1022 S1023 I1032 I1060 | V996-L1019 HydrophobicContact CG1-CD2 4.25Å; L999-L1019 HydrophobicContact CB-CD1 4.45Å; L999-L1019 HydrophobicContact CB-CD2 3.86Å; L999-L1019 HydrophobicContact CB-CG 4.08Å; L999-L1019 HydrophobicContact CD1-CD2 4.27Å; V1000-L1019 HydrophobicContact CG2-CD1 3.79Å; V1000-L1019 HydrophobicContact CG2-CD2 4.28Å; A1015-L1019 WeakPolarHBondContact O-CG 3.41Å; A1015-L1019 PolarHBondContact O-N 3.25Å; S1016-L1019 PolarHBondContact O-N 2.94Å; L1019-S1021 PolarHBondContact O-N 3.42Å; L1019-M1022 HydrophobicContact CD2-CE 4.17Å; L1019-M1022 PolarHBondContact O-N 3.29Å; L1019-S1023 WeakPolarHBondContact O-CB 3.29Å; L1019-S1023 PolarHBondContact O-N 3.24Å; L1019-S1023 PolarHBondContact O-OG 3Å; L1019-I1032 HydrophobicContact CD2-CD1 4.07Å; L1019-I1032 HydrophobicContact CD2-CG1 4.17Å; L1019-I1060 HydrophobicContact CB-CD1 3.9Å; L1019-I1060 HydrophobicContact CB-CG1 4.45Å |
| 1020 | A | 94.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.7 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1016 A1018 S1023 R1056 H1059 I1060 | S1016-A1020 VanDerWaalsContact O-CB 3.23Å; S1016-A1020 WeakPolarHBondContact O-CB 3.25Å; S1016-A1020 PolarHBondContact O-N 3.45Å; A1018-A1020 PolarHBondContact O-N 2.84Å; A1020-S1023 PolarHBondContact O-OG 2.68Å; A1020-R1056 HydrophobicContact CB-CB 4.47Å; A1020-H1059 PolarHBondContact O-ND1 3.2Å; A1020-I1060 HydrophobicContact CB-CD1 4.31Å; A1020-I1060 HydrophobicContact CB-CG1 3.83Å |
| 1021 | S | 93.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 22.4 Ų | 22.4 | 29% | 0.294 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -76.5 | -28.9 | 178 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | G1017 A1018 L1019 Y1024 | G1017-S1021 WeakPolarHBondContact O-CB 3.48Å; G1017-S1021 PolarHBondContact O-N 3.15Å; G1017-S1021 VanDerWaalsContact O-N 3.12Å; G1017-S1021 PolarHBondContact O-OG 3.39Å; A1018-S1021 PolarHBondContact O-N 3.13Å; A1018-S1021 VanDerWaalsContact O-N 3.17Å; L1019-S1021 PolarHBondContact O-N 3.42Å; S1021-Y1024 WeakPolarHBondContact O-CD1 3.47Å; S1021-Y1024 WeakPolarHBondContact O-CE1 3.37Å |
| 1022 | M | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -97.4 | -18.2 | -177.5 | -59.4 | -174.6 | -70.9 | 0 | 0 | 113.9 | A962 F967 V968 L999 A1018 L1019 Y1024 D1025 I1028 | A962-M1022 HydrophobicContact CB-CG 3.71Å; A962-M1022 HydrophobicContact CB-SD 4Å; F967-M1022 HydrophobicContact CD1-SD 4.08Å; F967-M1022 HydrophobicContact CE1-SD 3.93Å; V968-M1022 HydrophobicContact CG1-CB 4.35Å; V968-M1022 HydrophobicContact CG2-CB 4.41Å; V968-M1022 HydrophobicContact CG2-CG 4.04Å; L999-M1022 HydrophobicContact CD1-CE 3.58Å; A1018-M1022 HydrophobicContact CB-CE 4.23Å; A1018-M1022 WeakPolarHBondContact O-CE 3.37Å; A1018-M1022 WeakPolarHBondContact O-CG 3.27Å; A1018-M1022 PolarHBondContact O-N 2.63Å; A1018-M1022 VanDerWaalsContact O-N 3.09Å; L1019-M1022 HydrophobicContact CD2-CE 4.17Å; L1019-M1022 PolarHBondContact O-N 3.29Å; M1022-Y1024 PolarHBondContact O-N 3.09Å; M1022-D1025 PolarHBondContact O-N 3Å; M1022-D1025 VanDerWaalsContact O-N 3.15Å; M1022-I1028 HydrophobicContact CB-CG1 4.31Å; M1022-I1028 HydrophobicContact CB-CG2 3.91Å |
| 1023 | S | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.5 | -168.8 | 57.8 | 0 | 0 | 0 | 0 | 115 | L1019 A1020 D1025 I1029 N1063 | L1019-S1023 WeakPolarHBondContact O-CB 3.29Å; L1019-S1023 PolarHBondContact O-N 3.24Å; L1019-S1023 PolarHBondContact O-OG 3Å; A1020-S1023 PolarHBondContact O-OG 2.68Å; S1023-D1025 PolarHBondContact O-N 3.32Å; S1023-I1029 VanDerWaalsContact O-CD1 3.24Å; S1023-I1029 WeakPolarHBondContact O-CD1 3.49Å; S1023-I1029 WeakPolarHBondContact O-CG1 3.46Å; S1023-N1063 WeakPolarHBondContact O-CB 3.34Å; S1023-N1063 WeakPolarHBondContact OG-CB 3.2Å; S1023-N1063 PolarHBondContact OG-ND2 3.14Å |
| 1024 | Y | 92.8 | Very high | 93 | Very high | 68 Ų | 68 | 25.9 Ų | 25.9 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -20 | 170.8 | 69.9 | -92.9 | 0 | 0 | 0 | 112.8 | H965 V968 I975 S1021 M1022 H1067 | H965-Y1024 AromaticContact ND1-CE2 3.85Å; H965-Y1024 AromaticContact ND1-CZ 3.7Å; H965-Y1024 PolarHBondContact ND1-OH 3.27Å; V968-Y1024 HydrophobicContact CG2-CE1 4.32Å; V968-Y1024 WeakPolarHBondContact CG2-OH 3.42Å; I975-Y1024 HydrophobicContact CD1-CD2 4Å; I975-Y1024 HydrophobicContact CD1-CE2 4.13Å; S1021-Y1024 WeakPolarHBondContact O-CD1 3.47Å; S1021-Y1024 WeakPolarHBondContact O-CE1 3.37Å; M1022-Y1024 PolarHBondContact O-N 3.09Å; Y1024-H1067 VanDerWaalsContact O-CB 3.3Å; Y1024-H1067 WeakPolarHBondContact O-CB 3.34Å; Y1024-H1067 VanDerWaalsContact O-CG 3.27Å |
| 1025 | D | 92.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -87.2 | 124.6 | 179.8 | -171.4 | -64.7 | 0 | 0 | 0 | 111.5 | V968 G973 T974 I975 M1022 S1023 G1027 I1028 I1029 | V968-D1025 HydrophobicContact CG1-CB 3.8Å; G973-D1025 VanDerWaalsContact CA-CG 3.43Å; G973-D1025 VanDerWaalsContact CA-OD1 3.27Å; G973-D1025 WeakPolarHBondContact CA-OD1 3.39Å; G973-D1025 WeakPolarHBondContact CA-OD2 3.48Å; T974-D1025 PolarHBondContact N-OD1 3.38Å; T974-D1025 PolarHBondContact N-OD2 3Å; T974-D1025 PolarHBondContact OG1-OD1 3.45Å; I975-D1025 WeakPolarHBondContact CB-OD2 3.4Å; I975-D1025 HydrophobicContact CD1-CB 4.18Å; I975-D1025 WeakPolarHBondContact CG1-OD2 3.45Å; I975-D1025 PolarHBondContact N-OD2 2.66Å; M1022-D1025 PolarHBondContact O-N 3Å; M1022-D1025 VanDerWaalsContact O-N 3.15Å; S1023-D1025 PolarHBondContact O-N 3.32Å; D1025-G1027 VanDerWaalsContact C-N 3.25Å; D1025-G1027 PolarHBondContact O-N 2.99Å; D1025-G1027 WeakPolarHBondContact OD1-CA 3.26Å; D1025-G1027 PolarHBondContact OD1-N 3.49Å; D1025-I1028 HydrophobicContact CB-CB 4.34Å; D1025-I1028 HydrophobicContact CB-CG1 3.98Å; D1025-I1028 PolarHBondContact O-N 2.89Å; D1025-I1029 PolarHBondContact O-N 3.49Å |
| 1026 | P | 90.5 | Very high | 92.5 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.9 | -33.7 | 179.9 | -25.7 | 33.8 | 0 | 0 | 0 | 114.7 | I1028 I1029 K1030 | P1026-I1028 VanDerWaalsContact C-N 3.34Å; P1026-I1029 PolarHBondContact O-N 3.23Å; P1026-K1030 PolarHBondContact O-N 2.84Å |
| 1027 | G | 89.3 | Confident | 92.3 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T974 D1025 K1031 | T974-G1027 PolarHBondContact OG1-N 3.02Å; T974-G1027 VanDerWaalsContact OG1-N 3.12Å; D1025-G1027 VanDerWaalsContact C-N 3.25Å; D1025-G1027 PolarHBondContact O-N 2.99Å; D1025-G1027 WeakPolarHBondContact OD1-CA 3.26Å; D1025-G1027 PolarHBondContact OD1-N 3.49Å; G1027-K1031 PolarHBondContact O-N 3.49Å; G1027-K1031 VanDerWaalsContact O-N 3.13Å |
| 1028 | I | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.7 | -43.3 | 174.2 | -60 | -61.2 | 0 | 0 | 0 | 110.7 | V968 V996 M1022 D1025 P1026 K1030 K1031 I1032 | V968-I1028 HydrophobicContact CG1-CD1 4.26Å; V968-I1028 HydrophobicContact CG1-CG1 3.68Å; V996-I1028 HydrophobicContact CG1-CG2 4.43Å; V996-I1028 HydrophobicContact CG2-CD1 3.99Å; M1022-I1028 HydrophobicContact CB-CG1 4.31Å; M1022-I1028 HydrophobicContact CB-CG2 3.91Å; D1025-I1028 HydrophobicContact CB-CB 4.34Å; D1025-I1028 HydrophobicContact CB-CG1 3.98Å; D1025-I1028 PolarHBondContact O-N 2.89Å; P1026-I1028 VanDerWaalsContact C-N 3.34Å; I1028-K1030 VanDerWaalsContact C-N 3.28Å; I1028-K1030 PolarHBondContact O-N 3.2Å; I1028-K1031 WeakPolarHBondContact O-CB 3.35Å; I1028-K1031 PolarHBondContact O-N 2.97Å; I1028-I1032 HydrophobicContact CG2-CD1 3.96Å; I1028-I1032 HydrophobicContact CG2-CG1 4.35Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.36Å; I1028-I1032 PolarHBondContact O-N 3.34Å |
| 1029 | I | 92.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.1 | -48.6 | 175.1 | -63.6 | 171.4 | 0 | 0 | 0 | 109.9 | S1023 D1025 P1026 K1031 I1032 T1033 F1064 H1067 L1072 | S1023-I1029 VanDerWaalsContact O-CD1 3.24Å; S1023-I1029 WeakPolarHBondContact O-CD1 3.49Å; S1023-I1029 WeakPolarHBondContact O-CG1 3.46Å; D1025-I1029 PolarHBondContact O-N 3.49Å; P1026-I1029 PolarHBondContact O-N 3.23Å; I1029-K1031 VanDerWaalsContact C-N 3.3Å; I1029-K1031 PolarHBondContact O-N 3.24Å; I1029-I1032 PolarHBondContact O-N 3.45Å; I1029-I1032 VanDerWaalsContact O-N 3.13Å; I1029-T1033 HydrophobicContact CG2-CG2 4.4Å; I1029-T1033 WeakPolarHBondContact O-CG2 3.49Å; I1029-T1033 PolarHBondContact O-N 3.24Å; I1029-T1033 PolarHBondContact O-OG1 3.29Å; I1029-F1064 HydrophobicContact CB-CD1 4.39Å; I1029-F1064 HydrophobicContact CB-CE1 4.31Å; I1029-F1064 HydrophobicContact CD1-CD1 4.23Å; I1029-F1064 HydrophobicContact CG1-CD1 3.79Å; I1029-F1064 HydrophobicContact CG1-CE1 3.91Å; I1029-F1064 HydrophobicContact CG2-CD1 3.95Å; I1029-F1064 HydrophobicContact CG2-CE1 4.05Å; I1029-F1064 HydrophobicContact CG2-CG 4.25Å; I1029-F1064 HydrophobicContact CG2-CZ 4.45Å; I1029-H1067 HydrophobicContact CD1-CB 3.94Å; I1029-L1072 HydrophobicContact CG2-CD2 3.89Å |
| 1030 | K | 90.5 | Very high | 92 | Very high | 123 Ų | 123 | 39.6 Ų | 39.6 | 54% | 0.535 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 177.5 | -172.4 | 174.2 | -176 | 171.2 | 0 | 112.7 | P1026 I1028 T1033 N1034 | P1026-K1030 PolarHBondContact O-N 2.84Å; I1028-K1030 VanDerWaalsContact C-N 3.28Å; I1028-K1030 PolarHBondContact O-N 3.2Å; K1030-T1033 PolarHBondContact O-OG1 3.04Å; K1030-N1034 WeakPolarHBondContact O-CB 3.19Å; K1030-N1034 PolarHBondContact O-N 2.7Å; K1030-N1034 VanDerWaalsContact O-N 3.11Å; K1030-N1034 PolarHBondContact O-ND2 3.42Å; K1030-N1034 VanDerWaalsContact O-ND2 3.17Å; K1030-N1034 PolarHBondContact O-OD1 3.14Å |
| 1031 | K | 90.7 | Very high | 92 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 19% | 0.191 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | 175.8 | -78.3 | -169.8 | 171.8 | -166.2 | 0 | 112.6 | S971 V996 G1027 I1028 I1029 | S971-K1031 WeakPolarHBondContact O-CD 3.46Å; S971-K1031 WeakPolarHBondContact O-CE 3.38Å; S971-K1031 PolarHBondContact O-NZ 2.84Å; V996-K1031 HydrophobicContact CB-CB 4.11Å; V996-K1031 HydrophobicContact CB-CD 4.37Å; V996-K1031 HydrophobicContact CG1-CB 3.84Å; V996-K1031 HydrophobicContact CG2-CB 4.43Å; V996-K1031 HydrophobicContact CG2-CD 4.12Å; G1027-K1031 PolarHBondContact O-N 3.49Å; G1027-K1031 VanDerWaalsContact O-N 3.13Å; I1028-K1031 WeakPolarHBondContact O-CB 3.35Å; I1028-K1031 PolarHBondContact O-N 2.97Å; I1029-K1031 VanDerWaalsContact C-N 3.3Å; I1029-K1031 PolarHBondContact O-N 3.24Å |
| 1032 | I | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -48 | 175.7 | -63.4 | 164.3 | 0 | 0 | 0 | 109.9 | V996 V1000 L1019 I1028 I1029 N1034 V1035 W1038 I1042 F1064 | V996-I1032 HydrophobicContact CG1-CG1 3.54Å; V1000-I1032 HydrophobicContact CG2-CB 4.21Å; V1000-I1032 HydrophobicContact CG2-CG1 4.03Å; V1000-I1032 HydrophobicContact CG2-CG2 3.73Å; L1019-I1032 HydrophobicContact CD2-CD1 4.07Å; L1019-I1032 HydrophobicContact CD2-CG1 4.17Å; I1028-I1032 HydrophobicContact CG2-CD1 3.96Å; I1028-I1032 HydrophobicContact CG2-CG1 4.35Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.36Å; I1028-I1032 PolarHBondContact O-N 3.34Å; I1029-I1032 PolarHBondContact O-N 3.45Å; I1029-I1032 VanDerWaalsContact O-N 3.13Å; I1032-N1034 PolarHBondContact O-N 3.22Å; I1032-V1035 WeakPolarHBondContact O-CB 3.45Å; I1032-V1035 WeakPolarHBondContact O-CG2 3.42Å; I1032-V1035 PolarHBondContact O-N 3.35Å; I1032-V1035 VanDerWaalsContact O-N 3.08Å; I1032-W1038 HydrophobicContact CG2-CB 4.24Å; I1032-W1038 VanDerWaalsContact O-CB 3.24Å; I1032-W1038 WeakPolarHBondContact O-CB 3.39Å; I1032-I1042 HydrophobicContact CG2-CD1 4.15Å; I1032-F1064 HydrophobicContact CB-CZ 3.94Å; I1032-F1064 HydrophobicContact CD1-CE1 3.84Å; I1032-F1064 HydrophobicContact CD1-CZ 3.84Å; I1032-F1064 HydrophobicContact CG2-CE2 4.3Å; I1032-F1064 HydrophobicContact CG2-CZ 3.64Å |
| 1033 | T | 91.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 41 Ų | 41 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.2 | -15.6 | -178 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | I1029 K1030 V1035 W1038 F1064 L1072 | I1029-T1033 HydrophobicContact CG2-CG2 4.4Å; I1029-T1033 WeakPolarHBondContact O-CG2 3.49Å; I1029-T1033 PolarHBondContact O-N 3.24Å; I1029-T1033 PolarHBondContact O-OG1 3.29Å; K1030-T1033 PolarHBondContact O-OG1 3.04Å; T1033-V1035 VanDerWaalsContact C-N 3.29Å; T1033-W1038 HydrophobicContact CG2-CD2 4.17Å; T1033-W1038 HydrophobicContact CG2-CE3 4.41Å; T1033-W1038 HydrophobicContact CG2-CH2 4.07Å; T1033-W1038 HydrophobicContact CG2-CZ2 3.85Å; T1033-W1038 HydrophobicContact CG2-CZ3 4.37Å; T1033-W1038 PolarHBondContact O-NE1 3.28Å; T1033-F1064 HydrophobicContact CG2-CE2 4.27Å; T1033-L1072 HydrophobicContact CG2-CD1 4.07Å; T1033-L1072 HydrophobicContact CG2-CD2 4.36Å |
| 1034 | N | 90.8 | Very high | 91.8 | Very high | 120 Ų | 120 | 44.4 Ų | 44.4 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -13.9 | 171.4 | -73.8 | -19.6 | 0 | 0 | 0 | 113.6 | K1030 I1032 | K1030-N1034 WeakPolarHBondContact O-CB 3.19Å; K1030-N1034 PolarHBondContact O-N 2.7Å; K1030-N1034 VanDerWaalsContact O-N 3.11Å; K1030-N1034 PolarHBondContact O-ND2 3.42Å; K1030-N1034 VanDerWaalsContact O-ND2 3.17Å; K1030-N1034 PolarHBondContact O-OD1 3.14Å; I1032-N1034 PolarHBondContact O-N 3.22Å |
| 1035 | V | 91.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -79.9 | 119.5 | 177.7 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | K997 V1000 L1001 I1032 T1033 S1037 W1038 | K997-V1035 HydrophobicContact CB-CG2 3.95Å; K997-V1035 HydrophobicContact CG-CG1 4.39Å; K997-V1035 HydrophobicContact CG-CG2 3.89Å; V1000-V1035 HydrophobicContact CB-CG1 4.39Å; V1000-V1035 HydrophobicContact CB-CG2 4.15Å; V1000-V1035 HydrophobicContact CG1-CB 4.05Å; V1000-V1035 HydrophobicContact CG1-CG1 3.89Å; V1000-V1035 HydrophobicContact CG1-CG2 4.24Å; V1000-V1035 HydrophobicContact CG2-CG2 4.27Å; L1001-V1035 HydrophobicContact CD2-CG1 4.27Å; I1032-V1035 WeakPolarHBondContact O-CB 3.45Å; I1032-V1035 WeakPolarHBondContact O-CG2 3.42Å; I1032-V1035 PolarHBondContact O-N 3.35Å; I1032-V1035 VanDerWaalsContact O-N 3.08Å; T1033-V1035 VanDerWaalsContact C-N 3.29Å; V1035-S1037 PolarHBondContact O-N 3.1Å; V1035-W1038 HydrophobicContact CB-CB 4.26Å; V1035-W1038 VanDerWaalsContact O-CB 3.31Å; V1035-W1038 WeakPolarHBondContact O-CB 3.41Å; V1035-W1038 PolarHBondContact O-N 3.2Å |
| 1036 | S | 88.6 | Confident | 91.9 | Very high | 119 Ų | 119 | 41.3 Ų | 41.3 | 83% | 0.832 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -34.5 | -169.7 | 52.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1037 | S | 90.6 | Very high | 91.9 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 15.2 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | V1035 F1039 E1040 I1041 | V1035-S1037 PolarHBondContact O-N 3.1Å; S1037-F1039 VanDerWaalsContact C-N 3.25Å; S1037-F1039 PolarHBondContact O-N 3.12Å; S1037-E1040 VanDerWaalsContact C-OE2 3.28Å; S1037-E1040 VanDerWaalsContact CA-OE2 3.25Å; S1037-E1040 WeakPolarHBondContact CA-OE2 3.16Å; S1037-I1041 WeakPolarHBondContact O-CB 3.07Å; S1037-I1041 WeakPolarHBondContact O-CD1 3.44Å; S1037-I1041 WeakPolarHBondContact O-CG1 3.48Å; S1037-I1041 PolarHBondContact O-N 3.43Å; S1037-I1041 VanDerWaalsContact O-N 3.1Å; S1037-I1041 WeakPolarHBondContact OG-CD1 3.36Å |
| 1038 | W | 93.3 | Very high | 92 | Very high | 26 Ų | 26 | 42 Ų | 42 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | -173.8 | 74.6 | -92.9 | 0 | 0 | 0 | 112.8 | V1000 I1032 T1033 V1035 I1042 F1064 L1072 Y1075 F1076 | V1000-W1038 HydrophobicContact CG1-CB 4.26Å; I1032-W1038 HydrophobicContact CG2-CB 4.24Å; I1032-W1038 VanDerWaalsContact O-CB 3.24Å; I1032-W1038 WeakPolarHBondContact O-CB 3.39Å; T1033-W1038 HydrophobicContact CG2-CD2 4.17Å; T1033-W1038 HydrophobicContact CG2-CE3 4.41Å; T1033-W1038 HydrophobicContact CG2-CH2 4.07Å; T1033-W1038 HydrophobicContact CG2-CZ2 3.85Å; T1033-W1038 HydrophobicContact CG2-CZ3 4.37Å; T1033-W1038 PolarHBondContact O-NE1 3.28Å; V1035-W1038 HydrophobicContact CB-CB 4.26Å; V1035-W1038 VanDerWaalsContact O-CB 3.31Å; V1035-W1038 WeakPolarHBondContact O-CB 3.41Å; V1035-W1038 PolarHBondContact O-N 3.2Å; W1038-I1042 HydrophobicContact CE3-CD1 3.92Å; W1038-I1042 HydrophobicContact CZ3-CD1 4.4Å; W1038-I1042 VanDerWaalsContact O-CG1 3.32Å; W1038-I1042 WeakPolarHBondContact O-CG1 3.46Å; W1038-I1042 PolarHBondContact O-N 3.06Å; W1038-F1064 HydrophobicContact CE3-CE2 4.01Å; W1038-F1064 HydrophobicContact CH2-CE2 4.48Å; W1038-F1064 HydrophobicContact CZ3-CD2 4.1Å; W1038-F1064 AromaticContact CZ3-CE2 3.69Å; W1038-F1064 HydrophobicContact CZ3-CE2 3.69Å; W1038-L1072 HydrophobicContact CH2-CD1 3.79Å; W1038-L1072 HydrophobicContact CZ2-CD1 4.07Å; W1038-Y1075 HydrophobicContact CZ2-CE1 4.32Å; W1038-F1076 AromaticContact CH2-CE1 3.61Å; W1038-F1076 HydrophobicContact CH2-CE1 3.61Å; W1038-F1076 HydrophobicContact CH2-CZ 4.06Å; W1038-F1076 AromaticContact CZ3-CE1 3.98Å; W1038-F1076 HydrophobicContact CZ3-CE1 3.98Å; W1038-F1076 HydrophobicContact CZ3-CZ 4.08Å |
| 1039 | F | 92.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.5 | -48.3 | -173.6 | -176.4 | -90.2 | 0 | 0 | 0 | 110.5 | S1037 I1041 I1042 Q1043 Y1075 F1076 M1081 | S1037-F1039 VanDerWaalsContact C-N 3.25Å; S1037-F1039 PolarHBondContact O-N 3.12Å; F1039-I1041 PolarHBondContact O-N 3.39Å; F1039-I1042 PolarHBondContact O-N 2.87Å; F1039-Q1043 WeakPolarHBondContact O-CB 3.17Å; F1039-Q1043 PolarHBondContact O-N 2.91Å; F1039-Y1075 HydrophobicContact CD2-CD1 4.47Å; F1039-Y1075 AromaticContact CD2-CE1 3.63Å; F1039-Y1075 HydrophobicContact CD2-CE1 3.63Å; F1039-Y1075 HydrophobicContact CE2-CD1 4.34Å; F1039-Y1075 AromaticContact CE2-CE1 3.68Å; F1039-Y1075 HydrophobicContact CE2-CE1 3.68Å; F1039-Y1075 HydrophobicContact CG-CE1 4.45Å; F1039-F1076 HydrophobicContact CD2-CE1 4.36Å; F1039-F1076 HydrophobicContact CE2-CD1 4.31Å; F1039-F1076 HydrophobicContact CE2-CE1 4.16Å; F1039-M1081 HydrophobicContact CD2-CE 4.11Å; F1039-M1081 HydrophobicContact CE1-CE 4.42Å; F1039-M1081 HydrophobicContact CE2-CB 3.88Å; F1039-M1081 HydrophobicContact CE2-CE 3.76Å; F1039-M1081 HydrophobicContact CE2-CG 4.48Å; F1039-M1081 HydrophobicContact CZ-CB 3.87Å; F1039-M1081 HydrophobicContact CZ-CE 3.93Å |
| 1040 | E | 92.7 | Very high | 91.5 | Very high | 104 Ų | 104 | 45.8 Ų | 45.8 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 177.4 | -60.7 | 83 | 179.4 | 0 | 0 | 110.5 | S1037 I1042 Q1043 T1044 | S1037-E1040 VanDerWaalsContact C-OE2 3.28Å; S1037-E1040 VanDerWaalsContact CA-OE2 3.25Å; S1037-E1040 WeakPolarHBondContact CA-OE2 3.16Å; E1040-I1042 PolarHBondContact O-N 3.09Å; E1040-Q1043 PolarHBondContact O-N 3.29Å; E1040-T1044 WeakPolarHBondContact O-CB 3.46Å; E1040-T1044 PolarHBondContact O-N 3.21Å; E1040-T1044 PolarHBondContact O-OG1 3.39Å |
| 1041 | I | 94.5 | Very high | 91.5 | Very high | 20 Ų | 20 | 40 Ų | 40 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | -179 | -68.1 | 168.3 | 0 | 0 | 0 | 111.2 | V1000 C1003 S1037 F1039 Q1043 T1044 L1045 | V1000-I1041 HydrophobicContact CG1-CD1 4.13Å; V1000-I1041 WeakPolarHBondContact O-CD1 3.19Å; C1003-I1041 HydrophobicContact CB-CG2 3.49Å; C1003-I1041 VanDerWaalsContact CB-CG2 3.49Å; S1037-I1041 WeakPolarHBondContact O-CB 3.07Å; S1037-I1041 WeakPolarHBondContact O-CD1 3.44Å; S1037-I1041 WeakPolarHBondContact O-CG1 3.48Å; S1037-I1041 PolarHBondContact O-N 3.43Å; S1037-I1041 VanDerWaalsContact O-N 3.1Å; S1037-I1041 WeakPolarHBondContact OG-CD1 3.36Å; F1039-I1041 PolarHBondContact O-N 3.39Å; I1041-Q1043 VanDerWaalsContact C-N 3.32Å; I1041-Q1043 PolarHBondContact O-N 3.04Å; I1041-T1044 PolarHBondContact O-N 3.24Å; I1041-L1045 WeakPolarHBondContact O-CG 3.37Å; I1041-L1045 PolarHBondContact O-N 2.82Å |
| 1042 | I | 94 | Very high | 91.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | 179.4 | -65.3 | 179.2 | 0 | 0 | 0 | 110.7 | I1032 W1038 F1039 E1040 L1045 A1046 I1060 L1061 F1064 | I1032-I1042 HydrophobicContact CG2-CD1 4.15Å; W1038-I1042 HydrophobicContact CE3-CD1 3.92Å; W1038-I1042 HydrophobicContact CZ3-CD1 4.4Å; W1038-I1042 VanDerWaalsContact O-CG1 3.32Å; W1038-I1042 WeakPolarHBondContact O-CG1 3.46Å; W1038-I1042 PolarHBondContact O-N 3.06Å; F1039-I1042 PolarHBondContact O-N 2.87Å; E1040-I1042 PolarHBondContact O-N 3.09Å; I1042-L1045 PolarHBondContact O-N 3.15Å; I1042-A1046 WeakPolarHBondContact O-CB 3.33Å; I1042-A1046 PolarHBondContact O-N 3.12Å; I1042-I1060 HydrophobicContact CD1-CG2 3.96Å; I1042-L1061 HydrophobicContact CG2-CD2 3.73Å; I1042-L1061 HydrophobicContact CG2-CG 4Å; I1042-F1064 HydrophobicContact CD1-CE2 3.81Å; I1042-F1064 HydrophobicContact CD1-CZ 3.97Å |
| 1043 | Q | 92.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.1 | -171.9 | 176.9 | 16.2 | 0 | 0 | 111.4 | F1039 E1040 I1041 A1046 G1047 M1081 V1084 | F1039-Q1043 WeakPolarHBondContact O-CB 3.17Å; F1039-Q1043 PolarHBondContact O-N 2.91Å; E1040-Q1043 PolarHBondContact O-N 3.29Å; I1041-Q1043 VanDerWaalsContact C-N 3.32Å; I1041-Q1043 PolarHBondContact O-N 3.04Å; Q1043-A1046 PolarHBondContact O-N 3.38Å; Q1043-G1047 PolarHBondContact O-N 3.41Å; Q1043-M1081 HydrophobicContact CB-CE 3.8Å; Q1043-M1081 HydrophobicContact CG-CE 4.31Å; Q1043-V1084 HydrophobicContact CG-CG2 4.26Å |
| 1044 | T | 92.4 | Very high | 91.4 | Very high | 72 Ų | 72 | 37 Ų | 37 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.2 | -59 | 0 | 0 | 0 | 0 | 111.6 | L1006 E1040 I1041 G1047 H1048 | L1006-T1044 HydrophobicContact CD1-CG2 3.77Å; E1040-T1044 WeakPolarHBondContact O-CB 3.46Å; E1040-T1044 PolarHBondContact O-N 3.21Å; E1040-T1044 PolarHBondContact O-OG1 3.39Å; I1041-T1044 PolarHBondContact O-N 3.24Å; T1044-G1047 CarbonylContact O-C 3.34Å; T1044-G1047 PolarHBondContact O-N 2.92Å; T1044-H1048 PolarHBondContact O-N 3.3Å |
| 1045 | L | 93.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 174.1 | -73.4 | 178.4 | 0 | 0 | 0 | 112.6 | C1003 V1012 I1041 I1042 G1047 H1048 L1053 A1057 | C1003-L1045 HydrophobicContact CB-CD1 3.68Å; C1003-L1045 HydrophobicContact CB-CG 4.46Å; V1012-L1045 HydrophobicContact CG1-CD2 3.47Å; V1012-L1045 VanDerWaalsContact CG1-CD2 3.47Å; I1041-L1045 WeakPolarHBondContact O-CG 3.37Å; I1041-L1045 PolarHBondContact O-N 2.82Å; I1042-L1045 PolarHBondContact O-N 3.15Å; L1045-G1047 VanDerWaalsContact C-N 3.3Å; L1045-G1047 PolarHBondContact O-N 3.35Å; L1045-H1048 VanDerWaalsContact O-CB 3.27Å; L1045-H1048 WeakPolarHBondContact O-CB 3.44Å; L1045-H1048 PolarHBondContact O-N 2.9Å; L1045-L1053 HydrophobicContact CD2-CD1 4.46Å; L1045-A1057 HydrophobicContact CB-CB 3.83Å |
| 1046 | A | 92.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -34.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1042 Q1043 H1048 Q1054 A1057 L1061 V1084 L1088 | I1042-A1046 WeakPolarHBondContact O-CB 3.33Å; I1042-A1046 PolarHBondContact O-N 3.12Å; Q1043-A1046 PolarHBondContact O-N 3.38Å; A1046-H1048 VanDerWaalsContact C-N 3.34Å; A1046-Q1054 PolarHBondContact O-NE2 3.17Å; A1046-A1057 HydrophobicContact CB-CB 3.97Å; A1046-L1061 HydrophobicContact CB-CD1 4.35Å; A1046-V1084 HydrophobicContact CB-CG1 3.58Å; A1046-L1088 HydrophobicContact CB-CD1 4.11Å |
| 1047 | G | 90.8 | Very high | 92.1 | Very high | 62 Ų | 62 | 30 Ų | 30 | 64% | 0.639 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -1.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | Q1043 T1044 L1045 | Q1043-G1047 PolarHBondContact O-N 3.41Å; T1044-G1047 CarbonylContact O-C 3.34Å; T1044-G1047 PolarHBondContact O-N 2.92Å; L1045-G1047 VanDerWaalsContact C-N 3.3Å; L1045-G1047 PolarHBondContact O-N 3.35Å |
| 1048 | H | 90.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 7% | 0.069 | 15% | 0.15 | C | C | . | . | trans | -69 | 150.9 | -174.9 | -163 | -91.6 | 0 | 0 | 0 | 111.8 | T1044 L1045 A1046 S1050 L1053 Q1054 | T1044-H1048 PolarHBondContact O-N 3.3Å; L1045-H1048 VanDerWaalsContact O-CB 3.27Å; L1045-H1048 WeakPolarHBondContact O-CB 3.44Å; L1045-H1048 PolarHBondContact O-N 2.9Å; A1046-H1048 VanDerWaalsContact C-N 3.34Å; H1048-S1050 VanDerWaalsContact C-N 3.33Å; H1048-S1050 PolarHBondContact ND1-N 3.21Å; H1048-S1050 PolarHBondContact O-N 3Å; H1048-L1053 HydrophobicContact CB-CB 4.47Å; H1048-Q1054 WeakPolarHBondContact O-CG 3.49Å; H1048-Q1054 PolarHBondContact O-NE2 2.85Å | ||
| 1049 | F | 86.1 | Confident | 92.4 | Very high | 86 Ų | 86 | 30.1 Ų | 30.1 | 38% | 0.377 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -73 | -21.2 | -177.4 | 54.3 | -92.1 | 0 | 0 | 0 | 114.4 | L1101 D1103 I1104 | F1049-L1101 HydrophobicContact CB-CD1 4.24Å; F1049-L1101 HydrophobicContact CD2-CD1 3.92Å; F1049-L1101 HydrophobicContact CG-CD1 4.38Å; F1049-D1103 HydrophobicContact CE2-CB 3.74Å; F1049-D1103 HydrophobicContact CZ-CB 3.73Å; F1049-I1104 HydrophobicContact CD2-CG2 3.53Å; F1049-I1104 HydrophobicContact CE2-CG2 3.41Å; F1049-I1104 VanDerWaalsContact CE2-CG2 3.41Å |
| 1050 | S | 88.4 | Confident | 92.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -77.5 | 120.4 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | H1048 A1052 L1053 Q1054 L1107 | H1048-S1050 VanDerWaalsContact C-N 3.33Å; H1048-S1050 PolarHBondContact ND1-N 3.21Å; H1048-S1050 PolarHBondContact O-N 3Å; S1050-A1052 PolarHBondContact O-N 3.47Å; S1050-A1052 PolarHBondContact OG-N 3.5Å; S1050-L1053 PolarHBondContact O-N 3.45Å; S1050-L1053 VanDerWaalsContact O-N 3.13Å; S1050-Q1054 WeakPolarHBondContact O-CG 3.22Å; S1050-Q1054 PolarHBondContact O-N 3.37Å; S1050-L1107 VanDerWaalsContact OG-CD1 3.29Å; S1050-L1107 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 1051 | C | 90.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.02 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -33.6 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | L1053 Q1054 H1055 E1120 D1123 R1124 | C1051-L1053 VanDerWaalsContact C-N 3.33Å; C1051-L1053 PolarHBondContact O-N 3.27Å; C1051-Q1054 PolarHBondContact O-N 2.92Å; C1051-H1055 VanDerWaalsContact O-CB 3.27Å; C1051-H1055 WeakPolarHBondContact O-CB 3.42Å; C1051-H1055 PolarHBondContact O-N 3.39Å; C1051-E1120 WeakPolarHBondContact CA-OE2 3.48Å; C1051-E1120 HydrophobicContact CB-CB 4.21Å; C1051-E1120 WeakPolarHBondContact CB-O 3.48Å; C1051-E1120 WeakPolarHBondContact CB-OE2 3.17Å; C1051-E1120 PolarHBondContact N-OE2 2.95Å; C1051-E1120 PolarHBondContact SG-OE2 3.49Å; C1051-D1123 HydrophobicContact CB-CB 4.07Å; C1051-R1124 HydrophobicContact CB-CB 4.49Å; C1051-R1124 PolarHBondContact SG-NE 3.47Å; C1051-R1124 VanDerWaalsContact SG-NE 3.38Å; C1051-R1124 PolarHBondContact SG-NH2 3.22Å; C1051-R1124 VanDerWaalsContact SG-NH2 3.41Å |
| 1052 | A | 89.1 | Confident | 92.6 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1050 R1056 Y1108 D1123 | S1050-A1052 PolarHBondContact O-N 3.47Å; S1050-A1052 PolarHBondContact OG-N 3.5Å; A1052-R1056 WeakPolarHBondContact O-CG 3.33Å; A1052-R1056 PolarHBondContact O-N 3.4Å; A1052-R1056 PolarHBondContact O-NH1 3.43Å; A1052-Y1108 WeakPolarHBondContact CB-OH 3.33Å; A1052-D1123 WeakPolarHBondContact CA-OD2 3.42Å; A1052-D1123 WeakPolarHBondContact CB-OD2 3.48Å |
| 1053 | L | 92.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -78.1 | -40.2 | 176 | -64.3 | -174.7 | 0 | 0 | 0 | 111.1 | L1009 V1012 R1013 L1045 H1048 S1050 C1051 H1055 R1056 A1057 | L1009-L1053 HydrophobicContact CD2-CD1 4.25Å; V1012-L1053 HydrophobicContact CG1-CD1 3.9Å; V1012-L1053 HydrophobicContact CG1-CD2 4.06Å; R1013-L1053 HydrophobicContact CB-CD2 4.1Å; L1045-L1053 HydrophobicContact CD2-CD1 4.46Å; H1048-L1053 HydrophobicContact CB-CB 4.47Å; S1050-L1053 PolarHBondContact O-N 3.45Å; S1050-L1053 VanDerWaalsContact O-N 3.13Å; C1051-L1053 VanDerWaalsContact C-N 3.33Å; C1051-L1053 PolarHBondContact O-N 3.27Å; L1053-H1055 VanDerWaalsContact C-N 3.29Å; L1053-H1055 PolarHBondContact O-N 3.05Å; L1053-R1056 PolarHBondContact O-N 2.93Å; L1053-A1057 WeakPolarHBondContact O-CB 3.27Å; L1053-A1057 PolarHBondContact O-N 3.28Å |
| 1054 | Q | 93.3 | Very high | 92.6 | Very high | 16 Ų | 16 | 21.9 Ų | 21.9 | 8% | 0.075 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 173.7 | -67.1 | -175 | -49.8 | 0 | 0 | 111.6 | A1046 H1048 S1050 C1051 A1057 A1058 L1088 T1127 | A1046-Q1054 PolarHBondContact O-NE2 3.17Å; H1048-Q1054 WeakPolarHBondContact O-CG 3.49Å; H1048-Q1054 PolarHBondContact O-NE2 2.85Å; S1050-Q1054 WeakPolarHBondContact O-CG 3.22Å; S1050-Q1054 PolarHBondContact O-N 3.37Å; C1051-Q1054 PolarHBondContact O-N 2.92Å; Q1054-A1057 PolarHBondContact O-N 2.86Å; Q1054-A1058 WeakPolarHBondContact O-CB 3.27Å; Q1054-A1058 PolarHBondContact O-N 3.22Å; Q1054-L1088 HydrophobicContact CB-CD2 4.43Å; Q1054-T1127 HydrophobicContact CB-CG2 4.32Å |
| 1055 | H | 94.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 18.9 Ų | 18.9 | 22% | 0.222 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 179.5 | -180 | -150.7 | 0 | 0 | 0 | 111.9 | C1051 L1053 A1057 A1058 H1059 D1123 T1127 | C1051-H1055 VanDerWaalsContact O-CB 3.27Å; C1051-H1055 WeakPolarHBondContact O-CB 3.42Å; C1051-H1055 PolarHBondContact O-N 3.39Å; L1053-H1055 VanDerWaalsContact C-N 3.29Å; L1053-H1055 PolarHBondContact O-N 3.05Å; H1055-A1057 PolarHBondContact O-N 2.97Å; H1055-A1058 PolarHBondContact O-N 3.21Å; H1055-H1059 WeakPolarHBondContact O-CB 3.13Å; H1055-H1059 PolarHBondContact O-N 3.3Å; H1055-D1123 HydrophobicContact CB-CB 4.07Å; H1055-D1123 IonicContact CE1-OD1 2.74Å; H1055-D1123 IonicContact CG-OD1 2.79Å; H1055-D1123 IonicContact ND1-OD1 3.37Å; H1055-D1123 PolarHBondContact ND1-OD1 3.19Å; H1055-T1127 WeakPolarHBondContact CA-OG1 3.43Å; H1055-T1127 VanDerWaalsContact CB-OG1 3.27Å; H1055-T1127 WeakPolarHBondContact CB-OG1 3.5Å; H1055-T1127 PolarHBondContact N-OG1 2.89Å |
| 1056 | R | 94.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 21.7 Ų | 21.7 | 20% | 0.2 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176 | -70.5 | 175.9 | 179.2 | 85.3 | 2.3 | 111.6 | S1016 A1020 A1052 L1053 H1059 I1060 | S1016-R1056 WeakPolarHBondContact OG-CD 3.35Å; A1020-R1056 HydrophobicContact CB-CB 4.47Å; A1052-R1056 WeakPolarHBondContact O-CG 3.33Å; A1052-R1056 PolarHBondContact O-N 3.4Å; A1052-R1056 PolarHBondContact O-NH1 3.43Å; L1053-R1056 PolarHBondContact O-N 2.93Å; R1056-H1059 PolarHBondContact O-N 2.81Å; R1056-I1060 VanDerWaalsContact O-CG1 3.29Å; R1056-I1060 WeakPolarHBondContact O-CG1 3.49Å; R1056-I1060 PolarHBondContact O-N 3.33Å |
| 1057 | A | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1045 A1046 L1053 Q1054 H1055 H1059 I1060 L1061 | L1045-A1057 HydrophobicContact CB-CB 3.83Å; A1046-A1057 HydrophobicContact CB-CB 3.97Å; L1053-A1057 WeakPolarHBondContact O-CB 3.27Å; L1053-A1057 PolarHBondContact O-N 3.28Å; Q1054-A1057 PolarHBondContact O-N 2.86Å; H1055-A1057 PolarHBondContact O-N 2.97Å; A1057-H1059 VanDerWaalsContact C-N 3.31Å; A1057-H1059 PolarHBondContact O-N 3.24Å; A1057-I1060 PolarHBondContact O-N 3.39Å; A1057-L1061 WeakPolarHBondContact O-CG 3.43Å; A1057-L1061 PolarHBondContact O-N 3.4Å |
| 1058 | A | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1054 H1055 L1061 Q1062 L1088 T1127 C1130 | Q1054-A1058 WeakPolarHBondContact O-CB 3.27Å; Q1054-A1058 PolarHBondContact O-N 3.22Å; H1055-A1058 PolarHBondContact O-N 3.21Å; A1058-L1061 PolarHBondContact O-N 3.04Å; A1058-Q1062 VanDerWaalsContact O-CB 3.31Å; A1058-Q1062 WeakPolarHBondContact O-CB 3.36Å; A1058-Q1062 PolarHBondContact O-N 3.29Å; A1058-L1088 HydrophobicContact CB-CD1 4.16Å; A1058-T1127 HydrophobicContact CB-CG2 3.88Å; A1058-C1130 HydrophobicContact CB-CB 3.93Å |
| 1059 | H | 94.9 | Very high | 91.7 | Very high | 66 Ų | 66 | 29.5 Ų | 29.5 | 31% | 0.306 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 175.3 | -165.2 | -99.1 | 0 | 0 | 0 | 112.3 | A1020 H1055 R1056 A1057 Q1062 N1063 | A1020-H1059 PolarHBondContact O-ND1 3.2Å; H1055-H1059 WeakPolarHBondContact O-CB 3.13Å; H1055-H1059 PolarHBondContact O-N 3.3Å; R1056-H1059 PolarHBondContact O-N 2.81Å; A1057-H1059 VanDerWaalsContact C-N 3.31Å; A1057-H1059 PolarHBondContact O-N 3.24Å; H1059-Q1062 PolarHBondContact O-N 3.11Å; H1059-N1063 PolarHBondContact CE1-ND2 2.83Å; H1059-N1063 PolarHBondContact O-N 2.87Å |
| 1060 | I | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 173.5 | -66.4 | 162.9 | 0 | 0 | 0 | 110.5 | L1019 A1020 I1042 R1056 A1057 Q1062 N1063 F1064 | L1019-I1060 HydrophobicContact CB-CD1 3.9Å; L1019-I1060 HydrophobicContact CB-CG1 4.45Å; A1020-I1060 HydrophobicContact CB-CD1 4.31Å; A1020-I1060 HydrophobicContact CB-CG1 3.83Å; I1042-I1060 HydrophobicContact CD1-CG2 3.96Å; R1056-I1060 VanDerWaalsContact O-CG1 3.29Å; R1056-I1060 WeakPolarHBondContact O-CG1 3.49Å; R1056-I1060 PolarHBondContact O-N 3.33Å; A1057-I1060 PolarHBondContact O-N 3.39Å; I1060-Q1062 VanDerWaalsContact C-N 3.35Å; I1060-Q1062 PolarHBondContact O-N 3.13Å; I1060-N1063 PolarHBondContact O-N 3.32Å; I1060-F1064 HydrophobicContact CG2-CD1 4.02Å; I1060-F1064 HydrophobicContact CG2-CE1 3.6Å; I1060-F1064 HydrophobicContact CG2-CE2 4.34Å; I1060-F1064 HydrophobicContact CG2-CZ 3.77Å; I1060-F1064 WeakPolarHBondContact O-CD1 3.49Å; I1060-F1064 WeakPolarHBondContact O-CG 3.27Å; I1060-F1064 PolarHBondContact O-N 3.32Å |
| 1061 | L | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 179.4 | -68.7 | 172.5 | 0 | 0 | 0 | 112.2 | I1042 A1046 A1057 A1058 F1064 I1065 F1076 M1081 L1085 | I1042-L1061 HydrophobicContact CG2-CD2 3.73Å; I1042-L1061 HydrophobicContact CG2-CG 4Å; A1046-L1061 HydrophobicContact CB-CD1 4.35Å; A1057-L1061 WeakPolarHBondContact O-CG 3.43Å; A1057-L1061 PolarHBondContact O-N 3.4Å; A1058-L1061 PolarHBondContact O-N 3.04Å; L1061-F1064 WeakPolarHBondContact O-CB 3.47Å; L1061-F1064 PolarHBondContact O-N 3.34Å; L1061-I1065 WeakPolarHBondContact O-CG1 3.5Å; L1061-I1065 PolarHBondContact O-N 3.26Å; L1061-I1065 VanDerWaalsContact O-N 3.12Å; L1061-F1076 HydrophobicContact CD2-CE2 3.8Å; L1061-F1076 HydrophobicContact CD2-CZ 3.68Å; L1061-M1081 HydrophobicContact CD1-SD 3.69Å; L1061-M1081 HydrophobicContact CD2-CE 4.18Å; L1061-M1081 HydrophobicContact CD2-CG 4Å; L1061-M1081 HydrophobicContact CD2-SD 3.7Å; L1061-M1081 HydrophobicContact CG-SD 4.36Å; L1061-L1085 HydrophobicContact CB-CD2 3.96Å; L1061-L1085 HydrophobicContact CD1-CD2 3.88Å; L1061-L1085 HydrophobicContact CD1-CG 4.33Å |
| 1062 | Q | 94.1 | Very high | 91.2 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.6 | -49.6 | 173.2 | -177.2 | -163.5 | -25.6 | 0 | 0 | 110.6 | A1058 H1059 I1060 F1064 I1065 L1066 C1130 K1133 A1134 | A1058-Q1062 VanDerWaalsContact O-CB 3.31Å; A1058-Q1062 WeakPolarHBondContact O-CB 3.36Å; A1058-Q1062 PolarHBondContact O-N 3.29Å; H1059-Q1062 PolarHBondContact O-N 3.11Å; I1060-Q1062 VanDerWaalsContact C-N 3.35Å; I1060-Q1062 PolarHBondContact O-N 3.13Å; Q1062-F1064 VanDerWaalsContact C-N 3.31Å; Q1062-F1064 PolarHBondContact O-N 3.05Å; Q1062-I1065 PolarHBondContact O-N 2.57Å; Q1062-L1066 HydrophobicContact CG-CD1 3.69Å; Q1062-L1066 HydrophobicContact CG-CG 4.28Å; Q1062-L1066 WeakPolarHBondContact O-CB 3.38Å; Q1062-L1066 WeakPolarHBondContact O-CG 3.41Å; Q1062-L1066 PolarHBondContact O-N 3.17Å; Q1062-C1130 HydrophobicContact CB-CB 4.37Å; Q1062-C1130 VanDerWaalsContact OE1-CA 3.24Å; Q1062-C1130 VanDerWaalsContact OE1-CB 3.24Å; Q1062-C1130 PolarHBondContact OE1-SG 3.2Å; Q1062-K1133 HydrophobicContact CG-CB 4.26Å; Q1062-A1134 HydrophobicContact CB-CB 4.42Å |
| 1063 | N | 94.1 | Very high | 91 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | 179.3 | -74.1 | -15.8 | 0 | 0 | 0 | 112.5 | S1023 H1059 I1060 I1065 L1066 H1067 | S1023-N1063 WeakPolarHBondContact O-CB 3.34Å; S1023-N1063 WeakPolarHBondContact OG-CB 3.2Å; S1023-N1063 PolarHBondContact OG-ND2 3.14Å; H1059-N1063 PolarHBondContact CE1-ND2 2.83Å; H1059-N1063 PolarHBondContact O-N 2.87Å; I1060-N1063 PolarHBondContact O-N 3.32Å; N1063-I1065 VanDerWaalsContact C-N 3.27Å; N1063-I1065 PolarHBondContact O-N 3.03Å; N1063-L1066 PolarHBondContact O-N 3.15Å; N1063-H1067 WeakPolarHBondContact O-CB 3.35Å; N1063-H1067 PolarHBondContact O-N 3.41Å |
| 1064 | F | 93 | Very high | 90.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -37.6 | 174.8 | -80.7 | 21.6 | 0 | 0 | 0 | 112.1 | I1029 I1032 T1033 W1038 I1042 I1060 L1061 Q1062 G1068 L1072 F1076 | I1029-F1064 HydrophobicContact CB-CD1 4.39Å; I1029-F1064 HydrophobicContact CB-CE1 4.31Å; I1029-F1064 HydrophobicContact CD1-CD1 4.23Å; I1029-F1064 HydrophobicContact CG1-CD1 3.79Å; I1029-F1064 HydrophobicContact CG1-CE1 3.91Å; I1029-F1064 HydrophobicContact CG2-CD1 3.95Å; I1029-F1064 HydrophobicContact CG2-CE1 4.05Å; I1029-F1064 HydrophobicContact CG2-CG 4.25Å; I1029-F1064 HydrophobicContact CG2-CZ 4.45Å; I1032-F1064 HydrophobicContact CB-CZ 3.94Å; I1032-F1064 HydrophobicContact CD1-CE1 3.84Å; I1032-F1064 HydrophobicContact CD1-CZ 3.84Å; I1032-F1064 HydrophobicContact CG2-CE2 4.3Å; I1032-F1064 HydrophobicContact CG2-CZ 3.64Å; T1033-F1064 HydrophobicContact CG2-CE2 4.27Å; W1038-F1064 HydrophobicContact CE3-CE2 4.01Å; W1038-F1064 HydrophobicContact CH2-CE2 4.48Å; W1038-F1064 HydrophobicContact CZ3-CD2 4.1Å; W1038-F1064 AromaticContact CZ3-CE2 3.69Å; W1038-F1064 HydrophobicContact CZ3-CE2 3.69Å; I1042-F1064 HydrophobicContact CD1-CE2 3.81Å; I1042-F1064 HydrophobicContact CD1-CZ 3.97Å; I1060-F1064 HydrophobicContact CG2-CD1 4.02Å; I1060-F1064 HydrophobicContact CG2-CE1 3.6Å; I1060-F1064 HydrophobicContact CG2-CE2 4.34Å; I1060-F1064 HydrophobicContact CG2-CZ 3.77Å; I1060-F1064 WeakPolarHBondContact O-CD1 3.49Å; I1060-F1064 WeakPolarHBondContact O-CG 3.27Å; I1060-F1064 PolarHBondContact O-N 3.32Å; L1061-F1064 WeakPolarHBondContact O-CB 3.47Å; L1061-F1064 PolarHBondContact O-N 3.34Å; Q1062-F1064 VanDerWaalsContact C-N 3.31Å; Q1062-F1064 PolarHBondContact O-N 3.05Å; F1064-G1068 WeakPolarHBondContact O-CA 3.46Å; F1064-G1068 PolarHBondContact O-N 2.97Å; F1064-L1072 HydrophobicContact CB-CD2 3.79Å; F1064-L1072 HydrophobicContact CD2-CD2 3.81Å; F1064-L1072 HydrophobicContact CG-CD2 3.96Å; F1064-F1076 HydrophobicContact CB-CE2 3.95Å; F1064-F1076 HydrophobicContact CB-CZ 4.34Å; F1064-F1076 HydrophobicContact CD2-CE2 4.29Å; F1064-F1076 AromaticContact CD2-CZ 3.83Å; F1064-F1076 HydrophobicContact CD2-CZ 3.83Å |
| 1065 | I | 90.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -79.3 | -37.3 | 178.4 | -68.7 | 162.7 | 0 | 0 | 0 | 111.6 | L1061 Q1062 N1063 F1076 L1085 A1134 R1137 L1138 | L1061-I1065 WeakPolarHBondContact O-CG1 3.5Å; L1061-I1065 PolarHBondContact O-N 3.26Å; L1061-I1065 VanDerWaalsContact O-N 3.12Å; Q1062-I1065 PolarHBondContact O-N 2.57Å; N1063-I1065 VanDerWaalsContact C-N 3.27Å; N1063-I1065 PolarHBondContact O-N 3.03Å; I1065-F1076 HydrophobicContact CD1-CD2 3.96Å; I1065-F1076 HydrophobicContact CD1-CE2 4.47Å; I1065-F1076 HydrophobicContact CG1-CD2 3.79Å; I1065-F1076 HydrophobicContact CG1-CE2 4.19Å; I1065-L1085 HydrophobicContact CD1-CD1 3.64Å; I1065-A1134 HydrophobicContact CD1-CB 3.67Å; I1065-R1137 HydrophobicContact CG2-CB 3.82Å; I1065-R1137 HydrophobicContact CG2-CG 3.86Å; I1065-L1138 HydrophobicContact CD1-CD1 3.87Å; I1065-L1138 HydrophobicContact CD1-CD2 4.4Å; I1065-L1138 HydrophobicContact CD1-CG 4.09Å; I1065-L1138 HydrophobicContact CG1-CD2 4.28Å; I1065-L1138 HydrophobicContact CG1-CG 4.44Å; I1065-L1138 HydrophobicContact CG2-CD2 3.92Å; I1065-L1138 HydrophobicContact CG2-CG 3.91Å |
| 1066 | L | 89.6 | Confident | 89.9 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75 | -43 | -177.5 | -72.1 | 175.8 | 0 | 0 | 0 | 113.1 | Q1062 N1063 R1137 | Q1062-L1066 HydrophobicContact CG-CD1 3.69Å; Q1062-L1066 HydrophobicContact CG-CG 4.28Å; Q1062-L1066 WeakPolarHBondContact O-CB 3.38Å; Q1062-L1066 WeakPolarHBondContact O-CG 3.41Å; Q1062-L1066 PolarHBondContact O-N 3.17Å; N1063-L1066 PolarHBondContact O-N 3.15Å; L1066-R1137 HydrophobicContact CD2-CB 4.08Å; L1066-R1137 HydrophobicContact CD2-CG 3.83Å |
| 1067 | H | 89.2 | Confident | 89.4 | Confident | 87 Ų | 87 | 41.8 Ų | 41.8 | 40% | 0.403 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -115.5 | -13.8 | -170.1 | -58 | -68.3 | 0 | 0 | 0 | 113.6 | Y1024 I1029 N1063 | Y1024-H1067 VanDerWaalsContact O-CB 3.3Å; Y1024-H1067 WeakPolarHBondContact O-CB 3.34Å; Y1024-H1067 VanDerWaalsContact O-CG 3.27Å; I1029-H1067 HydrophobicContact CD1-CB 3.94Å; N1063-H1067 WeakPolarHBondContact O-CB 3.35Å; N1063-H1067 PolarHBondContact O-N 3.41Å |
| 1068 | G | 86.5 | Confident | 89 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -74.8 | 175 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1064 | F1064-G1068 WeakPolarHBondContact O-CA 3.46Å; F1064-G1068 PolarHBondContact O-N 2.97Å |
| 1069 | E | 85 | Confident | 88.6 | Confident | 133 Ų | 133 | 50.9 Ų | 50.9 | 62% | 0.621 | 25% | 0.247 | S | C | * | . | trans | -67.4 | 147.6 | 174.8 | -65.1 | -179.8 | -175 | 0 | 0 | 111.1 | S1071 L1072 | E1069-S1071 WeakPolarHBondContact CB-OG 3.49Å; E1069-S1071 PolarHBondContact O-N 3.18Å; E1069-S1071 VanDerWaalsContact O-N 3.09Å; E1069-S1071 PolarHBondContact OE2-OG 3.22Å; E1069-L1072 VanDerWaalsContact O-CB 3.31Å; E1069-L1072 WeakPolarHBondContact O-CB 3.05Å; E1069-L1072 PolarHBondContact O-N 2.95Å | ||
| 1070 | R | 83.6 | Confident | 88.3 | Confident | 149 Ų | 149 | 52.6 Ų | 52.6 | 56% | 0.562 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -55.9 | -30.9 | 178.6 | -174.1 | 171.9 | -173.1 | 161.5 | 4.6 | 113 | L1072 G1073 E1074 H1141 F1143 | R1070-L1072 VanDerWaalsContact C-N 3.27Å; R1070-L1072 PolarHBondContact O-N 3.27Å; R1070-G1073 PolarHBondContact O-N 2.85Å; R1070-E1074 PolarHBondContact O-N 3.01Å; R1070-E1074 VanDerWaalsContact O-N 3.15Å; R1070-H1141 PolarHBondContact NH2-O 3.17Å; R1070-F1143 HydrophobicContact CG-CE2 3.97Å; R1070-F1143 HydrophobicContact CG-CZ 3.58Å |
| 1071 | S | 85.4 | Confident | 88.1 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 46% | 0.462 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.3 | -34.9 | 174 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | E1069 E1074 Y1075 | E1069-S1071 WeakPolarHBondContact CB-OG 3.49Å; E1069-S1071 PolarHBondContact O-N 3.18Å; E1069-S1071 VanDerWaalsContact O-N 3.09Å; E1069-S1071 PolarHBondContact OE2-OG 3.22Å; S1071-E1074 PolarHBondContact O-N 2.89Å; S1071-Y1075 WeakPolarHBondContact O-CB 3.47Å; S1071-Y1075 PolarHBondContact O-N 2.68Å |
| 1072 | L | 86.2 | Confident | 87.8 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 179.3 | -166.2 | 65.5 | 0 | 0 | 0 | 111.2 | I1029 T1033 W1038 F1064 E1069 R1070 Y1075 F1076 | I1029-L1072 HydrophobicContact CG2-CD2 3.89Å; T1033-L1072 HydrophobicContact CG2-CD1 4.07Å; T1033-L1072 HydrophobicContact CG2-CD2 4.36Å; W1038-L1072 HydrophobicContact CH2-CD1 3.79Å; W1038-L1072 HydrophobicContact CZ2-CD1 4.07Å; F1064-L1072 HydrophobicContact CB-CD2 3.79Å; F1064-L1072 HydrophobicContact CD2-CD2 3.81Å; F1064-L1072 HydrophobicContact CG-CD2 3.96Å; E1069-L1072 VanDerWaalsContact O-CB 3.31Å; E1069-L1072 WeakPolarHBondContact O-CB 3.05Å; E1069-L1072 PolarHBondContact O-N 2.95Å; R1070-L1072 VanDerWaalsContact C-N 3.27Å; R1070-L1072 PolarHBondContact O-N 3.27Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.03Å; L1072-Y1075 PolarHBondContact O-N 3.43Å; L1072-F1076 HydrophobicContact CD1-CE1 4.41Å; L1072-F1076 HydrophobicContact CG-CZ 4.42Å; L1072-F1076 WeakPolarHBondContact O-CG 3.5Å; L1072-F1076 PolarHBondContact O-N 3.16Å |
| 1073 | G | 84.2 | Confident | 87.6 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1070 F1076 C1077 | R1070-G1073 PolarHBondContact O-N 2.85Å; G1073-F1076 PolarHBondContact O-N 2.99Å; G1073-C1077 PolarHBondContact O-N 3.44Å |
| 1074 | E | 84.8 | Confident | 87.4 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 173 | -73 | -177.8 | -161.3 | 0 | 0 | 112.6 | R1070 S1071 F1076 C1077 K1078 F1143 | R1070-E1074 PolarHBondContact O-N 3.01Å; R1070-E1074 VanDerWaalsContact O-N 3.15Å; S1071-E1074 PolarHBondContact O-N 2.89Å; E1074-F1076 VanDerWaalsContact C-N 3.33Å; E1074-C1077 PolarHBondContact O-N 3.19Å; E1074-K1078 WeakPolarHBondContact O-CG 3.32Å; E1074-K1078 PolarHBondContact O-N 3.23Å; E1074-K1078 VanDerWaalsContact O-N 3.11Å; E1074-F1143 HydrophobicContact CG-CD1 3.89Å; E1074-F1143 HydrophobicContact CG-CE1 3.17Å; E1074-F1143 HydrophobicContact CG-CE2 4.13Å; E1074-F1143 HydrophobicContact CG-CZ 3.29Å; E1074-F1143 WeakPolarHBondContact OE1-CE1 3.45Å |
| 1075 | Y | 86.3 | Confident | 87.3 | Confident | 118 Ų | 118 | 60.7 Ų | 60.7 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.9 | -176.6 | -108.3 | 0 | 0 | 0 | 110.8 | W1038 F1039 S1071 L1072 K1078 S1079 | W1038-Y1075 HydrophobicContact CZ2-CE1 4.32Å; F1039-Y1075 HydrophobicContact CD2-CD1 4.47Å; F1039-Y1075 AromaticContact CD2-CE1 3.63Å; F1039-Y1075 HydrophobicContact CD2-CE1 3.63Å; F1039-Y1075 HydrophobicContact CE2-CD1 4.34Å; F1039-Y1075 AromaticContact CE2-CE1 3.68Å; F1039-Y1075 HydrophobicContact CE2-CE1 3.68Å; F1039-Y1075 HydrophobicContact CG-CE1 4.45Å; S1071-Y1075 WeakPolarHBondContact O-CB 3.47Å; S1071-Y1075 PolarHBondContact O-N 2.68Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.03Å; L1072-Y1075 PolarHBondContact O-N 3.43Å; Y1075-K1078 PolarHBondContact O-N 2.74Å; Y1075-S1079 VanDerWaalsContact O-CB 3.25Å; Y1075-S1079 WeakPolarHBondContact O-CB 3.44Å; Y1075-S1079 PolarHBondContact O-N 3.2Å; Y1075-S1079 PolarHBondContact O-OG 3.27Å |
| 1076 | F | 87 | Confident | 87.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 176 | -75 | -4.4 | 0 | 0 | 0 | 112.8 | W1038 F1039 L1061 F1064 I1065 L1072 G1073 E1074 K1078 S1079 M1081 F1082 | W1038-F1076 AromaticContact CH2-CE1 3.61Å; W1038-F1076 HydrophobicContact CH2-CE1 3.61Å; W1038-F1076 HydrophobicContact CH2-CZ 4.06Å; W1038-F1076 AromaticContact CZ3-CE1 3.98Å; W1038-F1076 HydrophobicContact CZ3-CE1 3.98Å; W1038-F1076 HydrophobicContact CZ3-CZ 4.08Å; F1039-F1076 HydrophobicContact CD2-CE1 4.36Å; F1039-F1076 HydrophobicContact CE2-CD1 4.31Å; F1039-F1076 HydrophobicContact CE2-CE1 4.16Å; L1061-F1076 HydrophobicContact CD2-CE2 3.8Å; L1061-F1076 HydrophobicContact CD2-CZ 3.68Å; F1064-F1076 HydrophobicContact CB-CE2 3.95Å; F1064-F1076 HydrophobicContact CB-CZ 4.34Å; F1064-F1076 HydrophobicContact CD2-CE2 4.29Å; F1064-F1076 AromaticContact CD2-CZ 3.83Å; F1064-F1076 HydrophobicContact CD2-CZ 3.83Å; I1065-F1076 HydrophobicContact CD1-CD2 3.96Å; I1065-F1076 HydrophobicContact CD1-CE2 4.47Å; I1065-F1076 HydrophobicContact CG1-CD2 3.79Å; I1065-F1076 HydrophobicContact CG1-CE2 4.19Å; L1072-F1076 HydrophobicContact CD1-CE1 4.41Å; L1072-F1076 HydrophobicContact CG-CZ 4.42Å; L1072-F1076 WeakPolarHBondContact O-CG 3.5Å; L1072-F1076 PolarHBondContact O-N 3.16Å; G1073-F1076 PolarHBondContact O-N 2.99Å; E1074-F1076 VanDerWaalsContact C-N 3.33Å; F1076-K1078 VanDerWaalsContact C-N 3.26Å; F1076-K1078 PolarHBondContact O-N 3.27Å; F1076-S1079 WeakPolarHBondContact CA-OG 3.39Å; F1076-S1079 PolarHBondContact O-N 2.91Å; F1076-S1079 VanDerWaalsContact O-N 3.13Å; F1076-S1079 VanDerWaalsContact O-O 3.09Å; F1076-S1079 PolarHBondContact O-OG 3.02Å; F1076-M1081 HydrophobicContact CD1-CB 4.12Å; F1076-M1081 HydrophobicContact CD1-CG 4.03Å; F1076-M1081 HydrophobicContact CD2-CG 4.44Å; F1076-M1081 HydrophobicContact CE1-CG 4.09Å; F1076-M1081 HydrophobicContact CG-CB 4.4Å; F1076-M1081 HydrophobicContact CG-CG 4.17Å; F1076-M1081 HydrophobicContact CZ-CG 4.34Å; F1076-F1082 WeakPolarHBondContact O-CB 3.35Å; F1076-F1082 PolarHBondContact O-N 3.09Å |
| 1077 | C | 84.1 | Confident | 87.4 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -29.6 | 177.2 | -74.1 | 0 | 0 | 0 | 0 | 114.1 | G1073 E1074 F1143 | G1073-C1077 PolarHBondContact O-N 3.44Å; E1074-C1077 PolarHBondContact O-N 3.19Å; C1077-F1143 HydrophobicContact CB-CB 4.46Å; C1077-F1143 VanDerWaalsContact SG-CB 3.59Å |
| 1078 | K | 85.2 | Confident | 87.5 | Confident | 171 Ų | 171 | 58.4 Ų | 58.4 | 74% | 0.743 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -88 | -10.9 | 177.7 | -68.9 | 174.1 | -176.1 | 167.5 | 0 | 113.5 | E1074 Y1075 F1076 | E1074-K1078 WeakPolarHBondContact O-CG 3.32Å; E1074-K1078 PolarHBondContact O-N 3.23Å; E1074-K1078 VanDerWaalsContact O-N 3.11Å; Y1075-K1078 PolarHBondContact O-N 2.74Å; F1076-K1078 VanDerWaalsContact C-N 3.26Å; F1076-K1078 PolarHBondContact O-N 3.27Å |
| 1079 | S | 88.3 | Confident | 87.8 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -106.8 | 168.3 | -176 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | Y1075 F1076 M1081 F1082 | Y1075-S1079 VanDerWaalsContact O-CB 3.25Å; Y1075-S1079 WeakPolarHBondContact O-CB 3.44Å; Y1075-S1079 PolarHBondContact O-N 3.2Å; Y1075-S1079 PolarHBondContact O-OG 3.27Å; F1076-S1079 WeakPolarHBondContact CA-OG 3.39Å; F1076-S1079 PolarHBondContact O-N 2.91Å; F1076-S1079 VanDerWaalsContact O-N 3.13Å; F1076-S1079 VanDerWaalsContact O-O 3.09Å; F1076-S1079 PolarHBondContact O-OG 3.02Å; S1079-M1081 PolarHBondContact O-N 3.11Å; S1079-M1081 VanDerWaalsContact OG-CB 3.27Å; S1079-M1081 WeakPolarHBondContact OG-CB 3.43Å; S1079-M1081 PolarHBondContact OG-N 3.05Å; S1079-F1082 PolarHBondContact O-N 3.48Å |
| 1080 | N | 88.1 | Confident | 88.1 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 54% | 0.54 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.2 | 173.9 | -59.7 | -2.6 | 0 | 0 | 0 | 112.9 | F1082 E1083 V1084 | N1080-F1082 PolarHBondContact O-N 3.05Å; N1080-E1083 PolarHBondContact O-N 3.35Å; N1080-E1083 VanDerWaalsContact O-N 3.17Å; N1080-V1084 WeakPolarHBondContact O-CG2 3.5Å; N1080-V1084 PolarHBondContact O-N 3.45Å; N1080-V1084 VanDerWaalsContact O-N 3.15Å |
| 1081 | M | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -29.3 | 175.5 | -166 | 60.6 | 69.8 | 0 | 0 | 112.3 | F1039 Q1043 L1061 F1076 S1079 V1084 L1085 | F1039-M1081 HydrophobicContact CD2-CE 4.11Å; F1039-M1081 HydrophobicContact CE1-CE 4.42Å; F1039-M1081 HydrophobicContact CE2-CB 3.88Å; F1039-M1081 HydrophobicContact CE2-CE 3.76Å; F1039-M1081 HydrophobicContact CE2-CG 4.48Å; F1039-M1081 HydrophobicContact CZ-CB 3.87Å; F1039-M1081 HydrophobicContact CZ-CE 3.93Å; Q1043-M1081 HydrophobicContact CB-CE 3.8Å; Q1043-M1081 HydrophobicContact CG-CE 4.31Å; L1061-M1081 HydrophobicContact CD1-SD 3.69Å; L1061-M1081 HydrophobicContact CD2-CE 4.18Å; L1061-M1081 HydrophobicContact CD2-CG 4Å; L1061-M1081 HydrophobicContact CD2-SD 3.7Å; L1061-M1081 HydrophobicContact CG-SD 4.36Å; F1076-M1081 HydrophobicContact CD1-CB 4.12Å; F1076-M1081 HydrophobicContact CD1-CG 4.03Å; F1076-M1081 HydrophobicContact CD2-CG 4.44Å; F1076-M1081 HydrophobicContact CE1-CG 4.09Å; F1076-M1081 HydrophobicContact CG-CB 4.4Å; F1076-M1081 HydrophobicContact CG-CG 4.17Å; F1076-M1081 HydrophobicContact CZ-CG 4.34Å; S1079-M1081 PolarHBondContact O-N 3.11Å; S1079-M1081 VanDerWaalsContact OG-CB 3.27Å; S1079-M1081 WeakPolarHBondContact OG-CB 3.43Å; S1079-M1081 PolarHBondContact OG-N 3.05Å; M1081-V1084 PolarHBondContact O-N 3.28Å; M1081-V1084 HydrophobicContact SD-CB 4.21Å; M1081-V1084 HydrophobicContact SD-CG1 4.26Å; M1081-L1085 WeakPolarHBondContact O-CG 3.38Å; M1081-L1085 PolarHBondContact O-N 3.05Å |
| 1082 | F | 88.3 | Confident | 88.6 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.6 | -178.4 | -105.5 | 0 | 0 | 0 | 112 | F1076 S1079 N1080 V1084 L1085 L1086 L1135 L1138 V1144 | F1076-F1082 WeakPolarHBondContact O-CB 3.35Å; F1076-F1082 PolarHBondContact O-N 3.09Å; S1079-F1082 PolarHBondContact O-N 3.48Å; N1080-F1082 PolarHBondContact O-N 3.05Å; F1082-V1084 VanDerWaalsContact C-N 3.33Å; F1082-L1085 PolarHBondContact O-N 3.16Å; F1082-L1086 WeakPolarHBondContact O-CB 3.23Å; F1082-L1086 PolarHBondContact O-N 2.59Å; F1082-L1135 HydrophobicContact CD2-CD2 4.21Å; F1082-L1135 HydrophobicContact CE2-CD2 3.68Å; F1082-L1135 HydrophobicContact CZ-CD2 4.43Å; F1082-L1138 HydrophobicContact CD2-CD1 4.46Å; F1082-V1144 HydrophobicContact CD2-CG2 4.43Å; F1082-V1144 HydrophobicContact CE2-CG1 4.21Å; F1082-V1144 HydrophobicContact CE2-CG2 3.58Å; F1082-V1144 HydrophobicContact CZ-CG1 3.88Å; F1082-V1144 HydrophobicContact CZ-CG2 4.04Å |
| 1083 | E | 89.3 | Confident | 88.7 | Confident | 134 Ų | 134 | 56 Ų | 56 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.3 | -37.6 | 176.1 | -61.8 | -178.7 | 171.4 | 0 | 0 | 111.5 | N1080 L1086 S1087 | N1080-E1083 PolarHBondContact O-N 3.35Å; N1080-E1083 VanDerWaalsContact O-N 3.17Å; E1083-L1086 PolarHBondContact O-N 3.43Å; E1083-S1087 WeakPolarHBondContact O-CB 3.29Å; E1083-S1087 PolarHBondContact O-N 3.37Å; E1083-S1087 PolarHBondContact O-OG 3.08Å |
| 1084 | V | 91.1 | Very high | 88.7 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 173.7 | 175.8 | 0 | 0 | 0 | 0 | 111 | Q1043 A1046 N1080 M1081 F1082 L1086 S1087 L1088 | Q1043-V1084 HydrophobicContact CG-CG2 4.26Å; A1046-V1084 HydrophobicContact CB-CG1 3.58Å; N1080-V1084 WeakPolarHBondContact O-CG2 3.5Å; N1080-V1084 PolarHBondContact O-N 3.45Å; N1080-V1084 VanDerWaalsContact O-N 3.15Å; M1081-V1084 PolarHBondContact O-N 3.28Å; M1081-V1084 HydrophobicContact SD-CB 4.21Å; M1081-V1084 HydrophobicContact SD-CG1 4.26Å; F1082-V1084 VanDerWaalsContact C-N 3.33Å; V1084-L1086 VanDerWaalsContact C-N 3.27Å; V1084-L1086 PolarHBondContact O-N 3.26Å; V1084-S1087 PolarHBondContact O-N 2.93Å; V1084-S1087 PolarHBondContact O-OG 3.37Å; V1084-L1088 HydrophobicContact CG1-CD1 4.2Å; V1084-L1088 HydrophobicContact CG1-CG 4.4Å; V1084-L1088 WeakPolarHBondContact O-CB 3.27Å; V1084-L1088 VanDerWaalsContact O-CG 3.23Å; V1084-L1088 WeakPolarHBondContact O-CG 3.26Å; V1084-L1088 PolarHBondContact O-N 3.4Å |
| 1085 | L | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 176 | -78.8 | 170.3 | 0 | 0 | 0 | 112 | L1061 I1065 M1081 F1082 S1089 A1134 L1135 L1138 | L1061-L1085 HydrophobicContact CB-CD2 3.96Å; L1061-L1085 HydrophobicContact CD1-CD2 3.88Å; L1061-L1085 HydrophobicContact CD1-CG 4.33Å; I1065-L1085 HydrophobicContact CD1-CD1 3.64Å; M1081-L1085 WeakPolarHBondContact O-CG 3.38Å; M1081-L1085 PolarHBondContact O-N 3.05Å; F1082-L1085 PolarHBondContact O-N 3.16Å; L1085-S1089 PolarHBondContact O-N 3.13Å; L1085-A1134 HydrophobicContact CD2-CB 4.19Å; L1085-L1135 HydrophobicContact CB-CD2 4.28Å; L1085-L1138 HydrophobicContact CD1-CD1 4.49Å |
| 1086 | L | 90.2 | Very high | 88.2 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 20% | 0.204 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 177.1 | -172.2 | 71.3 | 0 | 0 | 0 | 111.7 | F1082 E1083 V1084 L1088 S1089 L1090 L1135 P1148 | F1082-L1086 WeakPolarHBondContact O-CB 3.23Å; F1082-L1086 PolarHBondContact O-N 2.59Å; E1083-L1086 PolarHBondContact O-N 3.43Å; V1084-L1086 VanDerWaalsContact C-N 3.27Å; V1084-L1086 PolarHBondContact O-N 3.26Å; L1086-L1088 VanDerWaalsContact C-N 3.34Å; L1086-L1088 PolarHBondContact O-N 3.04Å; L1086-S1089 PolarHBondContact O-N 2.99Å; L1086-S1089 VanDerWaalsContact O-N 3.17Å; L1086-S1089 PolarHBondContact O-OG 2.98Å; L1086-L1090 HydrophobicContact CD1-CD1 4.47Å; L1086-L1090 HydrophobicContact CG-CD1 4.26Å; L1086-L1090 WeakPolarHBondContact O-CG 3.16Å; L1086-L1090 PolarHBondContact O-N 3.22Å; L1086-L1135 HydrophobicContact CD1-CD1 4.23Å; L1086-P1148 VanDerWaalsContact CD1-CD 3.44Å; L1086-P1148 HydrophobicContact CD1-CG 3.4Å; L1086-P1148 VanDerWaalsContact CD1-CG 3.4Å; L1086-P1148 HydrophobicContact CD2-CG 3.54Å; L1086-P1148 HydrophobicContact CG-CG 4.02Å |
| 1087 | S | 91.2 | Very high | 87.8 | Confident | 66 Ų | 66 | 61 Ų | 61 | 46% | 0.462 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 178.1 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | E1083 V1084 S1089 L1090 L1091 | E1083-S1087 WeakPolarHBondContact O-CB 3.29Å; E1083-S1087 PolarHBondContact O-N 3.37Å; E1083-S1087 PolarHBondContact O-OG 3.08Å; V1084-S1087 PolarHBondContact O-N 2.93Å; V1084-S1087 PolarHBondContact O-OG 3.37Å; S1087-S1089 VanDerWaalsContact C-N 3.29Å; S1087-S1089 PolarHBondContact O-N 3.43Å; S1087-L1090 CarbonylContact O-C 3.58Å; S1087-L1090 PolarHBondContact O-N 3.17Å; S1087-L1090 VanDerWaalsContact O-N 3.13Å; S1087-L1091 PolarHBondContact O-N 3.3Å |
| 1088 | L | 93 | Very high | 87.6 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 173.8 | -70.8 | -180 | 0 | 0 | 0 | 112.6 | A1046 Q1054 A1058 V1084 L1086 L1090 L1091 T1127 A1131 | A1046-L1088 HydrophobicContact CB-CD1 4.11Å; Q1054-L1088 HydrophobicContact CB-CD2 4.43Å; A1058-L1088 HydrophobicContact CB-CD1 4.16Å; V1084-L1088 HydrophobicContact CG1-CD1 4.2Å; V1084-L1088 HydrophobicContact CG1-CG 4.4Å; V1084-L1088 WeakPolarHBondContact O-CB 3.27Å; V1084-L1088 VanDerWaalsContact O-CG 3.23Å; V1084-L1088 WeakPolarHBondContact O-CG 3.26Å; V1084-L1088 PolarHBondContact O-N 3.4Å; L1086-L1088 VanDerWaalsContact C-N 3.34Å; L1086-L1088 PolarHBondContact O-N 3.04Å; L1088-L1090 PolarHBondContact O-N 3.36Å; L1088-L1091 HydrophobicContact CD2-CD1 3.9Å; L1088-T1127 HydrophobicContact CB-CG2 4.21Å; L1088-T1127 HydrophobicContact CD2-CG2 3.82Å; L1088-T1127 HydrophobicContact CG-CG2 4.43Å; L1088-A1131 HydrophobicContact CB-CB 3.88Å |
| 1089 | S | 92.1 | Very high | 87.3 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.5 | -20.6 | 178.4 | 78.3 | 0 | 0 | 0 | 0 | 114 | L1085 L1086 S1087 | L1085-S1089 PolarHBondContact O-N 3.13Å; L1086-S1089 PolarHBondContact O-N 2.99Å; L1086-S1089 VanDerWaalsContact O-N 3.17Å; L1086-S1089 PolarHBondContact O-OG 2.98Å; S1087-S1089 VanDerWaalsContact C-N 3.29Å; S1087-S1089 PolarHBondContact O-N 3.43Å |
| 1090 | L | 92 | Very high | 86.9 | Confident | 107 Ų | 107 | 64 Ų | 64 | 56% | 0.56 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 13.3 | -175.1 | -62.7 | 175.9 | 0 | 0 | 0 | 113 | L1086 S1087 L1088 | L1086-L1090 HydrophobicContact CD1-CD1 4.47Å; L1086-L1090 HydrophobicContact CG-CD1 4.26Å; L1086-L1090 WeakPolarHBondContact O-CG 3.16Å; L1086-L1090 PolarHBondContact O-N 3.22Å; S1087-L1090 CarbonylContact O-C 3.58Å; S1087-L1090 PolarHBondContact O-N 3.17Å; S1087-L1090 VanDerWaalsContact O-N 3.13Å; L1088-L1090 PolarHBondContact O-N 3.36Å |
| 1091 | L | 90.4 | Very high | 86.5 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 125.7 | 179.6 | -75.3 | 171.4 | 0 | 0 | 0 | 111.3 | S1087 L1088 R1124 T1127 R1128 | S1087-L1091 PolarHBondContact O-N 3.3Å; L1088-L1091 HydrophobicContact CD2-CD1 3.9Å; L1091-R1124 HydrophobicContact CB-CG 4.1Å; L1091-R1124 HydrophobicContact CD1-CG 4.38Å; L1091-T1127 HydrophobicContact CD1-CG2 3.85Å; L1091-R1128 HydrophobicContact CB-CG 4.32Å; L1091-R1128 WeakPolarHBondContact O-CD 3.48Å; L1091-R1128 PolarHBondContact O-NH1 3.05Å |
| 1092 | P | 88.5 | Confident | 85.9 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 61% | 0.61 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 155.1 | 176.5 | 29.5 | -34.6 | 0 | 0 | 0 | 111 | R1124 | P1092-R1124 WeakPolarHBondContact O-CD 3.35Š|
| 1093 | D | 88.1 | Confident | 85.6 | Confident | 99 Ų | 99 | 70 Ų | 70 | 53% | 0.529 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 150 | 170.3 | -69.2 | -31.2 | 0 | 0 | 0 | 111 | D1095 Q1121 R1128 | D1093-D1095 PolarHBondContact O-N 3.44Å; D1093-Q1121 PolarHBondContact OD1-NE2 3.39Å; D1093-R1128 IonicContact OD1-CZ 3.66Å; D1093-R1128 IonicContact OD1-NH1 3.05Å; D1093-R1128 PolarHBondContact OD1-NH1 3.01Å; D1093-R1128 IonicContact OD1-NH2 2.64Å; D1093-R1128 PolarHBondContact OD1-NH2 3.39Å |
| 1094 | I | 84.6 | Confident | 85.3 | Confident | 37 Ų | 37 | 64 Ų | 64 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 123.9 | -178.9 | -58.1 | 175.6 | 0 | 0 | 0 | 108.2 | P1096 E1120 Q1121 | I1094-P1096 WeakPolarHBondContact O-CD 3.38Å; I1094-E1120 HydrophobicContact CD1-CB 3.6Å; I1094-Q1121 HydrophobicContact CD1-CB 4.3Å |
| 1095 | D | 83.6 | Confident | 84.8 | Confident | 85 Ų | 85 | 69 Ų | 69 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 129.4 | 178.1 | -168.5 | -35.1 | 0 | 0 | 0 | 109 | D1093 A1097 D1098 | D1093-D1095 PolarHBondContact O-N 3.44Å; D1095-A1097 PolarHBondContact O-N 3.14Å; D1095-A1097 WeakPolarHBondContact OD1-CB 3.46Å; D1095-A1097 PolarHBondContact OD1-N 3.36Å; D1095-D1098 HydrophobicContact CB-CB 4.48Å; D1095-D1098 WeakPolarHBondContact O-CB 3.49Å; D1095-D1098 PolarHBondContact O-N 2.93Å |
| 1096 | P | 77.1 | Confident | 84.4 | Confident | 105 Ų | 105 | 72.3 Ų | 72.3 | 68% | 0.682 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -22.6 | 172.6 | -26 | 34 | 0 | 0 | 0 | 114.6 | I1094 R1117 | I1094-P1096 WeakPolarHBondContact O-CD 3.38Å; P1096-R1117 VanDerWaalsContact O-CZ 3.28Å; P1096-R1117 PolarHBondContact O-NH1 3.44Å; P1096-R1117 PolarHBondContact O-NH2 2.88Å |
| 1097 | A | 78.1 | Confident | 84 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -21.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1095 Q1099 | D1095-A1097 PolarHBondContact O-N 3.14Å; D1095-A1097 WeakPolarHBondContact OD1-CB 3.46Å; D1095-A1097 PolarHBondContact OD1-N 3.36Å; A1097-Q1099 PolarHBondContact O-N 3.44Å |
| 1098 | D | 80.4 | Confident | 83.6 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -67.2 | 132.1 | -176.1 | -74.5 | -23.3 | 0 | 0 | 0 | 111.6 | D1095 R1117 | D1095-D1098 HydrophobicContact CB-CB 4.48Å; D1095-D1098 WeakPolarHBondContact O-CB 3.49Å; D1095-D1098 PolarHBondContact O-N 2.93Å; D1098-R1117 PolarHBondContact O-NH2 3.43Å |
| 1099 | Q | 79.1 | Confident | 82.9 | Confident | 179 Ų | 179 | 73.3 Ų | 73.3 | 84% | 0.836 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 140.4 | 177.5 | -66.5 | -176.4 | 8.5 | 0 | 0 | 110.8 | A1097 L1101 | A1097-Q1099 PolarHBondContact O-N 3.44Å; Q1099-L1101 PolarHBondContact O-N 3.33Å |
| 1100 | V | 78.9 | Confident | 82.3 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -65 | 117 | 172.5 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | I1104 R1105 D1113 I1116 R1117 | V1100-I1104 HydrophobicContact CG1-CD1 3.99Å; V1100-I1104 HydrophobicContact CG1-CG1 4.04Å; V1100-R1105 HydrophobicContact CG1-CG 4.39Å; V1100-D1113 HydrophobicContact CG2-CB 4.08Å; V1100-I1116 HydrophobicContact CG1-CD1 4.35Å; V1100-I1116 HydrophobicContact CG1-CG2 3.89Å; V1100-I1116 HydrophobicContact CG2-CG2 4.45Å; V1100-R1117 HydrophobicContact CG2-CG 4.08Å |
| 1101 | L | 80.9 | Confident | 81.8 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 133.4 | -180 | -74 | 162.4 | 0 | 0 | 0 | 110.5 | F1049 Q1099 D1103 I1104 | F1049-L1101 HydrophobicContact CB-CD1 4.24Å; F1049-L1101 HydrophobicContact CD2-CD1 3.92Å; F1049-L1101 HydrophobicContact CG-CD1 4.38Å; Q1099-L1101 PolarHBondContact O-N 3.33Å; L1101-D1103 PolarHBondContact O-N 2.8Å; L1101-I1104 HydrophobicContact CB-CG1 4.17Å; L1101-I1104 WeakPolarHBondContact O-CG1 3.31Å; L1101-I1104 PolarHBondContact O-N 3.29Å |
| 1102 | P | 77.6 | Confident | 81.6 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 57% | 0.571 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -54.8 | -37.6 | 178 | -26.8 | 34.8 | 0 | 0 | 0 | 112.9 | I1104 R1105 | P1102-I1104 VanDerWaalsContact C-N 3.3Å; P1102-I1104 PolarHBondContact O-N 3.35Å; P1102-R1105 WeakPolarHBondContact O-CB 3.44Å; P1102-R1105 PolarHBondContact O-N 2.99Å; P1102-R1105 VanDerWaalsContact O-N 3.16Å |
| 1103 | D | 81.4 | Confident | 81.4 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 54% | 0.54 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -69.6 | -22 | -173.7 | -58 | -19.8 | 0 | 0 | 0 | 113.7 | L1009 F1049 L1101 P1106 | L1009-D1103 WeakPolarHBondContact CD1-O 3.19Å; F1049-D1103 HydrophobicContact CE2-CB 3.74Å; F1049-D1103 HydrophobicContact CZ-CB 3.73Å; L1101-D1103 PolarHBondContact O-N 2.8Å; D1103-P1106 WeakPolarHBondContact O-CD 3.41Å |
| 1104 | I | 82.8 | Confident | 81.2 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.051 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -88.8 | -14.1 | 175.4 | 63.9 | 170.1 | 0 | 0 | 0 | 113.2 | F1049 V1100 L1101 P1102 P1106 L1107 I1116 E1120 | F1049-I1104 HydrophobicContact CD2-CG2 3.53Å; F1049-I1104 HydrophobicContact CE2-CG2 3.41Å; F1049-I1104 VanDerWaalsContact CE2-CG2 3.41Å; V1100-I1104 HydrophobicContact CG1-CD1 3.99Å; V1100-I1104 HydrophobicContact CG1-CG1 4.04Å; L1101-I1104 HydrophobicContact CB-CG1 4.17Å; L1101-I1104 WeakPolarHBondContact O-CG1 3.31Å; L1101-I1104 PolarHBondContact O-N 3.29Å; P1102-I1104 VanDerWaalsContact C-N 3.3Å; P1102-I1104 PolarHBondContact O-N 3.35Å; I1104-P1106 VanDerWaalsContact C-N 3.32Å; I1104-L1107 WeakPolarHBondContact O-CB 3.46Å; I1104-L1107 PolarHBondContact O-N 2.93Å; I1104-I1116 HydrophobicContact CD1-CG2 4.45Å; I1104-E1120 HydrophobicContact CD1-CG 4.31Å |
| 1105 | R | 81.1 | Confident | 81.3 | Confident | 126 Ų | 126 | 77.3 Ų | 77.3 | 48% | 0.475 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -55.3 | -38.1 | -179.3 | -68.9 | -177.5 | 167.8 | -170.4 | -7.6 | 113.9 | V1100 P1102 L1107 Y1108 D1113 | V1100-R1105 HydrophobicContact CG1-CG 4.39Å; P1102-R1105 WeakPolarHBondContact O-CB 3.44Å; P1102-R1105 PolarHBondContact O-N 2.99Å; P1102-R1105 VanDerWaalsContact O-N 3.16Å; R1105-L1107 PolarHBondContact O-N 3.49Å; R1105-L1107 VanDerWaalsContact O-N 3.15Å; R1105-Y1108 CarbonylContact O-C 3.55Å; R1105-Y1108 PolarHBondContact O-N 3.43Å; R1105-D1113 IonicContact NH2-OD1 2.78Å; R1105-D1113 IonicContact NH2-OD2 3.2Å |
| 1106 | P | 82.1 | Confident | 81.4 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 46% | 0.461 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -57.4 | -26.5 | 175.5 | -26.9 | 36.6 | 0 | 0 | 0 | 114.3 | D1103 I1104 Y1108 | D1103-P1106 WeakPolarHBondContact O-CD 3.41Å; I1104-P1106 VanDerWaalsContact C-N 3.32Å; P1106-Y1108 VanDerWaalsContact C-N 3.25Å; P1106-Y1108 PolarHBondContact O-N 3.31Å |
| 1107 | L | 81.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -73 | -17.4 | 177.2 | -62.9 | 174 | 0 | 0 | 0 | 112.8 | L1009 L1010 R1013 S1050 I1104 R1105 P1109 | L1009-L1107 HydrophobicContact CB-CD2 3.97Å; L1009-L1107 HydrophobicContact CB-CG 4.39Å; L1009-L1107 WeakPolarHBondContact O-CD2 3.5Å; L1010-L1107 HydrophobicContact CD2-CD2 4.3Å; R1013-L1107 HydrophobicContact CB-CD2 3.99Å; R1013-L1107 PolarHBondContact NH1-O 3.12Å; S1050-L1107 VanDerWaalsContact OG-CD1 3.29Å; S1050-L1107 WeakPolarHBondContact OG-CD1 3.39Å; I1104-L1107 WeakPolarHBondContact O-CB 3.46Å; I1104-L1107 PolarHBondContact O-N 2.93Å; R1105-L1107 PolarHBondContact O-N 3.49Å; R1105-L1107 VanDerWaalsContact O-N 3.15Å; L1107-P1109 VanDerWaalsContact C-CD 3.46Å; L1107-P1109 WeakPolarHBondContact O-CD 3.31Å |
| 1108 | Y | 82.8 | Confident | 82.3 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 8% | 0.075 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -128.4 | 62.6 | -174.2 | -57.9 | -77.6 | 0 | 0 | 0 | 111.8 | A1052 R1105 P1106 G1110 C1111 I1116 L1119 E1120 | A1052-Y1108 WeakPolarHBondContact CB-OH 3.33Å; R1105-Y1108 CarbonylContact O-C 3.55Å; R1105-Y1108 PolarHBondContact O-N 3.43Å; P1106-Y1108 VanDerWaalsContact C-N 3.25Å; P1106-Y1108 PolarHBondContact O-N 3.31Å; Y1108-G1110 PolarHBondContact O-N 2.75Å; Y1108-C1111 PolarHBondContact O-N 3.04Å; Y1108-I1116 HydrophobicContact CD2-CG1 4.37Å; Y1108-I1116 HydrophobicContact CD2-CG2 3.8Å; Y1108-I1116 HydrophobicContact CE2-CG2 4.07Å; Y1108-I1116 HydrophobicContact CG-CG1 4.06Å; Y1108-I1116 HydrophobicContact CG-CG2 4.25Å; Y1108-L1119 HydrophobicContact CD1-CD1 3.86Å; Y1108-L1119 HydrophobicContact CE1-CB 4.07Å; Y1108-L1119 HydrophobicContact CE1-CD1 3.9Å; Y1108-E1120 HydrophobicContact CE2-CG 4.16Å; Y1108-E1120 WeakPolarHBondContact CE2-OE1 3.36Å; Y1108-E1120 PolarHBondContact OH-OE1 3.37Å |
| 1109 | P | 77.3 | Confident | 82.6 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 129.1 | -177.7 | 25.5 | -33.4 | 0 | 0 | 0 | 111.1 | L1107 C1111 | L1107-P1109 VanDerWaalsContact C-CD 3.46Å; L1107-P1109 WeakPolarHBondContact O-CD 3.31Å; P1109-C1111 VanDerWaalsContact C-N 3.27Å; P1109-C1111 PolarHBondContact O-N 3.36Å |
| 1110 | G | 79.3 | Confident | 83.2 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 94% | 0.938 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 3.9 | 176 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y1108 | Y1108-G1110 PolarHBondContact O-N 2.75Š|
| 1111 | C | 83.2 | Confident | 83.8 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | trans | -84.7 | 143.8 | 177.4 | -66 | 0 | 0 | 0 | 0 | 111.4 | Y1108 P1109 I1116 | Y1108-C1111 PolarHBondContact O-N 3.04Å; P1109-C1111 VanDerWaalsContact C-N 3.27Å; P1109-C1111 PolarHBondContact O-N 3.36Å; C1111-I1116 HydrophobicContact CB-CD1 4.19Å; C1111-I1116 HydrophobicContact CB-CG1 3.65Å | ||
| 1112 | S | 85.7 | Confident | 84.3 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | trans | -73.4 | 154.1 | 169.6 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | G1114 R1115 I1116 | S1112-G1114 PolarHBondContact O-N 3.37Å; S1112-R1115 WeakPolarHBondContact O-CA 3.46Å; S1112-R1115 PolarHBondContact O-N 3.38Å; S1112-R1115 PolarHBondContact OG-N 3.07Å; S1112-I1116 WeakPolarHBondContact O-CG1 3.23Å; S1112-I1116 PolarHBondContact O-N 3.24Å | ||
| 1113 | D | 82.8 | Confident | 85 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 40% | 0.401 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.6 | -38.4 | 179.6 | -73 | -5.3 | 0 | 0 | 0 | 112.3 | V1100 R1105 R1115 I1116 R1117 | V1100-D1113 HydrophobicContact CG2-CB 4.08Å; R1105-D1113 IonicContact NH2-OD1 2.78Å; R1105-D1113 IonicContact NH2-OD2 3.2Å; D1113-R1115 PolarHBondContact O-N 2.66Å; D1113-I1116 PolarHBondContact O-N 3.23Å; D1113-R1117 WeakPolarHBondContact O-CG 3.42Å; D1113-R1117 PolarHBondContact O-N 3.13Å |
| 1114 | G | 84.7 | Confident | 85.5 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 42% | 0.423 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S1112 R1117 E1118 | S1112-G1114 PolarHBondContact O-N 3.37Å; G1114-R1117 PolarHBondContact O-N 3.17Å; G1114-E1118 PolarHBondContact O-N 3.48Å; G1114-E1118 VanDerWaalsContact O-N 3.15Å |
| 1115 | R | 86.4 | Confident | 86 | Confident | 125 Ų | 125 | 67 Ų | 67 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.9 | -35.8 | 178.2 | -175.5 | 55.5 | 174.5 | -179.4 | 0.3 | 112.4 | S1112 D1113 R1117 E1118 L1119 | S1112-R1115 WeakPolarHBondContact O-CA 3.46Å; S1112-R1115 PolarHBondContact O-N 3.38Å; S1112-R1115 PolarHBondContact OG-N 3.07Å; D1113-R1115 PolarHBondContact O-N 2.66Å; R1115-R1117 VanDerWaalsContact C-N 3.34Å; R1115-E1118 WeakPolarHBondContact CD-OE2 3.37Å; R1115-E1118 IonicContact CZ-OE2 2.83Å; R1115-E1118 IonicContact NE-OE2 3.13Å; R1115-E1118 IonicContact NH1-OE2 3.4Å; R1115-E1118 PolarHBondContact NH1-OE2 2.84Å; R1115-E1118 PolarHBondContact O-N 2.9Å; R1115-L1119 HydrophobicContact CG-CD1 4.41Å; R1115-L1119 WeakPolarHBondContact O-CG 3.38Å; R1115-L1119 PolarHBondContact O-N 3.19Å; R1115-L1119 VanDerWaalsContact O-N 3.14Å |
| 1116 | I | 86.3 | Confident | 86.6 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.1 | -64.6 | 172.8 | 0 | 0 | 0 | 109.8 | V1100 I1104 Y1108 C1111 S1112 D1113 E1118 L1119 E1120 | V1100-I1116 HydrophobicContact CG1-CD1 4.35Å; V1100-I1116 HydrophobicContact CG1-CG2 3.89Å; V1100-I1116 HydrophobicContact CG2-CG2 4.45Å; I1104-I1116 HydrophobicContact CD1-CG2 4.45Å; Y1108-I1116 HydrophobicContact CD2-CG1 4.37Å; Y1108-I1116 HydrophobicContact CD2-CG2 3.8Å; Y1108-I1116 HydrophobicContact CE2-CG2 4.07Å; Y1108-I1116 HydrophobicContact CG-CG1 4.06Å; Y1108-I1116 HydrophobicContact CG-CG2 4.25Å; C1111-I1116 HydrophobicContact CB-CD1 4.19Å; C1111-I1116 HydrophobicContact CB-CG1 3.65Å; S1112-I1116 WeakPolarHBondContact O-CG1 3.23Å; S1112-I1116 PolarHBondContact O-N 3.24Å; D1113-I1116 PolarHBondContact O-N 3.23Å; I1116-E1118 PolarHBondContact O-N 3.4Å; I1116-L1119 PolarHBondContact O-N 3.14Å; I1116-E1120 HydrophobicContact CG2-CG 4.25Å; I1116-E1120 PolarHBondContact O-N 3.41Å |
| 1117 | R | 85 | Confident | 87.1 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 176.8 | -71.8 | 172.6 | 179.4 | -173.7 | -4.9 | 112.6 | P1096 D1098 V1100 D1113 G1114 R1115 L1119 E1120 Q1121 | P1096-R1117 VanDerWaalsContact O-CZ 3.28Å; P1096-R1117 PolarHBondContact O-NH1 3.44Å; P1096-R1117 PolarHBondContact O-NH2 2.88Å; D1098-R1117 PolarHBondContact O-NH2 3.43Å; V1100-R1117 HydrophobicContact CG2-CG 4.08Å; D1113-R1117 WeakPolarHBondContact O-CG 3.42Å; D1113-R1117 PolarHBondContact O-N 3.13Å; G1114-R1117 PolarHBondContact O-N 3.17Å; R1115-R1117 VanDerWaalsContact C-N 3.34Å; R1117-L1119 VanDerWaalsContact C-N 3.3Å; R1117-L1119 PolarHBondContact O-N 3.46Å; R1117-E1120 PolarHBondContact O-N 3.15Å; R1117-Q1121 WeakPolarHBondContact O-CB 3.43Å; R1117-Q1121 PolarHBondContact O-N 2.92Å |
| 1118 | E | 88 | Confident | 87.8 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 175.5 | -72.1 | 174.2 | -176.3 | 0 | 0 | 112.4 | G1114 R1115 I1116 K1122 | G1114-E1118 PolarHBondContact O-N 3.48Å; G1114-E1118 VanDerWaalsContact O-N 3.15Å; R1115-E1118 WeakPolarHBondContact CD-OE2 3.37Å; R1115-E1118 IonicContact CZ-OE2 2.83Å; R1115-E1118 IonicContact NE-OE2 3.13Å; R1115-E1118 IonicContact NH1-OE2 3.4Å; R1115-E1118 PolarHBondContact NH1-OE2 2.84Å; R1115-E1118 PolarHBondContact O-N 2.9Å; I1116-E1118 PolarHBondContact O-N 3.4Å; E1118-K1122 WeakPolarHBondContact O-CB 3.18Å; E1118-K1122 PolarHBondContact O-N 2.94Å; E1118-K1122 VanDerWaalsContact O-N 3.13Å |
| 1119 | L | 88.8 | Confident | 88.3 | Confident | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.2 | -47.6 | 179.6 | -69.2 | 172 | 0 | 0 | 0 | 111.9 | Y1108 R1115 I1116 R1117 Q1121 K1122 D1123 | Y1108-L1119 HydrophobicContact CD1-CD1 3.86Å; Y1108-L1119 HydrophobicContact CE1-CB 4.07Å; Y1108-L1119 HydrophobicContact CE1-CD1 3.9Å; R1115-L1119 HydrophobicContact CG-CD1 4.41Å; R1115-L1119 WeakPolarHBondContact O-CG 3.38Å; R1115-L1119 PolarHBondContact O-N 3.19Å; R1115-L1119 VanDerWaalsContact O-N 3.14Å; I1116-L1119 PolarHBondContact O-N 3.14Å; R1117-L1119 VanDerWaalsContact C-N 3.3Å; R1117-L1119 PolarHBondContact O-N 3.46Å; L1119-Q1121 VanDerWaalsContact C-N 3.32Å; L1119-Q1121 PolarHBondContact O-N 3.45Å; L1119-K1122 WeakPolarHBondContact O-CB 3.49Å; L1119-K1122 PolarHBondContact O-N 2.87Å; L1119-D1123 PolarHBondContact O-N 2.87Å |
| 1120 | E | 90 | Very high | 89 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 177.6 | -73.8 | -82.9 | 129.3 | 0 | 0 | 111.4 | C1051 I1094 I1104 Y1108 I1116 R1117 D1123 R1124 | C1051-E1120 WeakPolarHBondContact CA-OE2 3.48Å; C1051-E1120 HydrophobicContact CB-CB 4.21Å; C1051-E1120 WeakPolarHBondContact CB-O 3.48Å; C1051-E1120 WeakPolarHBondContact CB-OE2 3.17Å; C1051-E1120 PolarHBondContact N-OE2 2.95Å; C1051-E1120 PolarHBondContact SG-OE2 3.49Å; I1094-E1120 HydrophobicContact CD1-CB 3.6Å; I1104-E1120 HydrophobicContact CD1-CG 4.31Å; Y1108-E1120 HydrophobicContact CE2-CG 4.16Å; Y1108-E1120 WeakPolarHBondContact CE2-OE1 3.36Å; Y1108-E1120 PolarHBondContact OH-OE1 3.37Å; I1116-E1120 HydrophobicContact CG2-CG 4.25Å; I1116-E1120 PolarHBondContact O-N 3.41Å; R1117-E1120 PolarHBondContact O-N 3.15Å; E1120-D1123 PolarHBondContact O-N 3.36Å; E1120-R1124 WeakPolarHBondContact O-CB 3.19Å; E1120-R1124 PolarHBondContact O-N 3.35Å |
| 1121 | Q | 91.2 | Very high | 89.7 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.7 | 179.9 | 58.3 | 33 | 0 | 0 | 111.2 | D1093 I1094 R1117 L1119 R1124 E1125 | D1093-Q1121 PolarHBondContact OD1-NE2 3.39Å; I1094-Q1121 HydrophobicContact CD1-CB 4.3Å; R1117-Q1121 WeakPolarHBondContact O-CB 3.43Å; R1117-Q1121 PolarHBondContact O-N 2.92Å; L1119-Q1121 VanDerWaalsContact C-N 3.32Å; L1119-Q1121 PolarHBondContact O-N 3.45Å; Q1121-R1124 PolarHBondContact O-N 2.93Å; Q1121-E1125 PolarHBondContact NE2-OE1 3.38Å; Q1121-E1125 PolarHBondContact O-N 3.13Å |
| 1122 | K | 92.3 | Very high | 90.1 | Very high | 150 Ų | 150 | 57.3 Ų | 57.3 | 65% | 0.652 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 175.2 | -173.7 | -178.4 | 178.6 | -177.3 | 0 | 112.2 | E1118 L1119 R1124 E1125 G1126 | E1118-K1122 WeakPolarHBondContact O-CB 3.18Å; E1118-K1122 PolarHBondContact O-N 2.94Å; E1118-K1122 VanDerWaalsContact O-N 3.13Å; L1119-K1122 WeakPolarHBondContact O-CB 3.49Å; L1119-K1122 PolarHBondContact O-N 2.87Å; K1122-R1124 VanDerWaalsContact C-N 3.3Å; K1122-R1124 PolarHBondContact O-N 3.37Å; K1122-E1125 PolarHBondContact O-N 3.29Å; K1122-G1126 PolarHBondContact O-N 3.05Å |
| 1123 | D | 92.4 | Very high | 90.3 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 175.1 | -82.7 | -33.3 | 0 | 0 | 0 | 111.3 | C1051 A1052 H1055 L1119 E1120 G1126 T1127 | C1051-D1123 HydrophobicContact CB-CB 4.07Å; A1052-D1123 WeakPolarHBondContact CA-OD2 3.42Å; A1052-D1123 WeakPolarHBondContact CB-OD2 3.48Å; H1055-D1123 HydrophobicContact CB-CB 4.07Å; H1055-D1123 IonicContact CE1-OD1 2.74Å; H1055-D1123 IonicContact CG-OD1 2.79Å; H1055-D1123 IonicContact ND1-OD1 3.37Å; H1055-D1123 PolarHBondContact ND1-OD1 3.19Å; L1119-D1123 PolarHBondContact O-N 2.87Å; E1120-D1123 PolarHBondContact O-N 3.36Å; D1123-G1126 PolarHBondContact O-N 2.72Å; D1123-T1127 WeakPolarHBondContact O-CB 3.41Å; D1123-T1127 PolarHBondContact O-N 3.34Å; D1123-T1127 PolarHBondContact O-OG1 3.15Å |
| 1124 | R | 91.8 | Very high | 90.7 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 175.9 | -173.5 | 151.4 | -78.5 | -174.3 | -5.1 | 112.6 | C1051 L1091 P1092 E1120 Q1121 K1122 T1127 R1128 | C1051-R1124 HydrophobicContact CB-CB 4.49Å; C1051-R1124 PolarHBondContact SG-NE 3.47Å; C1051-R1124 VanDerWaalsContact SG-NE 3.38Å; C1051-R1124 PolarHBondContact SG-NH2 3.22Å; C1051-R1124 VanDerWaalsContact SG-NH2 3.41Å; L1091-R1124 HydrophobicContact CB-CG 4.1Å; L1091-R1124 HydrophobicContact CD1-CG 4.38Å; P1092-R1124 WeakPolarHBondContact O-CD 3.35Å; E1120-R1124 WeakPolarHBondContact O-CB 3.19Å; E1120-R1124 PolarHBondContact O-N 3.35Å; Q1121-R1124 PolarHBondContact O-N 2.93Å; K1122-R1124 VanDerWaalsContact C-N 3.3Å; K1122-R1124 PolarHBondContact O-N 3.37Å; R1124-T1127 WeakPolarHBondContact O-CB 3.21Å; R1124-T1127 PolarHBondContact O-N 3.48Å; R1124-R1128 PolarHBondContact O-N 3.21Å |
| 1125 | E | 92.8 | Very high | 90.9 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 169.8 | -76.3 | 167.1 | -159.9 | 0 | 0 | 111.9 | Q1121 K1122 T1127 R1128 E1129 | Q1121-E1125 PolarHBondContact NE2-OE1 3.38Å; Q1121-E1125 PolarHBondContact O-N 3.13Å; K1122-E1125 PolarHBondContact O-N 3.29Å; E1125-T1127 VanDerWaalsContact C-N 3.32Å; E1125-T1127 PolarHBondContact O-N 2.94Å; E1125-R1128 PolarHBondContact O-N 3.41Å; E1125-E1129 PolarHBondContact O-N 3.36Å; E1125-E1129 VanDerWaalsContact O-N 3.1Å |
| 1126 | G | 93.3 | Very high | 91 | Very high | 19 Ų | 19 | 52 Ų | 52 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1122 D1123 E1129 C1130 | K1122-G1126 PolarHBondContact O-N 3.05Å; D1123-G1126 PolarHBondContact O-N 2.72Å; G1126-E1129 PolarHBondContact O-N 2.93Å; G1126-C1130 PolarHBondContact O-N 2.94Å; G1126-C1130 PolarHBondContact O-SG 3.43Å |
| 1127 | T | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | Q1054 H1055 A1058 L1088 L1091 D1123 R1124 E1125 E1129 C1130 A1131 | Q1054-T1127 HydrophobicContact CB-CG2 4.32Å; H1055-T1127 WeakPolarHBondContact CA-OG1 3.43Å; H1055-T1127 VanDerWaalsContact CB-OG1 3.27Å; H1055-T1127 WeakPolarHBondContact CB-OG1 3.5Å; H1055-T1127 PolarHBondContact N-OG1 2.89Å; A1058-T1127 HydrophobicContact CB-CG2 3.88Å; L1088-T1127 HydrophobicContact CB-CG2 4.21Å; L1088-T1127 HydrophobicContact CD2-CG2 3.82Å; L1088-T1127 HydrophobicContact CG-CG2 4.43Å; L1091-T1127 HydrophobicContact CD1-CG2 3.85Å; D1123-T1127 WeakPolarHBondContact O-CB 3.41Å; D1123-T1127 PolarHBondContact O-N 3.34Å; D1123-T1127 PolarHBondContact O-OG1 3.15Å; R1124-T1127 WeakPolarHBondContact O-CB 3.21Å; R1124-T1127 PolarHBondContact O-N 3.48Å; E1125-T1127 VanDerWaalsContact C-N 3.32Å; E1125-T1127 PolarHBondContact O-N 2.94Å; T1127-E1129 VanDerWaalsContact C-N 3.32Å; T1127-E1129 PolarHBondContact O-N 2.92Å; T1127-C1130 PolarHBondContact O-N 2.77Å; T1127-A1131 WeakPolarHBondContact O-CB 3.38Å; T1127-A1131 PolarHBondContact O-N 3.31Å |
| 1128 | R | 94.7 | Very high | 90.9 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 177.3 | -72.9 | -172 | -66.6 | -113.1 | 6.6 | 111.9 | L1091 D1093 R1124 E1125 A1131 K1132 | L1091-R1128 HydrophobicContact CB-CG 4.32Å; L1091-R1128 WeakPolarHBondContact O-CD 3.48Å; L1091-R1128 PolarHBondContact O-NH1 3.05Å; D1093-R1128 IonicContact OD1-CZ 3.66Å; D1093-R1128 IonicContact OD1-NH1 3.05Å; D1093-R1128 PolarHBondContact OD1-NH1 3.01Å; D1093-R1128 IonicContact OD1-NH2 2.64Å; D1093-R1128 PolarHBondContact OD1-NH2 3.39Å; R1124-R1128 PolarHBondContact O-N 3.21Å; E1125-R1128 PolarHBondContact O-N 3.41Å; R1128-A1131 PolarHBondContact O-N 3.07Å; R1128-K1132 WeakPolarHBondContact O-CB 3.38Å; R1128-K1132 VanDerWaalsContact O-CG 3.28Å; R1128-K1132 WeakPolarHBondContact O-CG 3.47Å; R1128-K1132 PolarHBondContact O-N 3.5Å |
| 1129 | E | 93.4 | Very high | 90.7 | Very high | 92 Ų | 92 | 51.4 Ų | 51.4 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 179.8 | -178.5 | 61.5 | -166.4 | 0 | 0 | 111.9 | E1125 G1126 T1127 K1132 K1133 | E1125-E1129 PolarHBondContact O-N 3.36Å; E1125-E1129 VanDerWaalsContact O-N 3.1Å; G1126-E1129 PolarHBondContact O-N 2.93Å; T1127-E1129 VanDerWaalsContact C-N 3.32Å; T1127-E1129 PolarHBondContact O-N 2.92Å; E1129-K1132 PolarHBondContact O-N 3.24Å; E1129-K1133 WeakPolarHBondContact O-CG 3.34Å; E1129-K1133 PolarHBondContact O-N 2.94Å; E1129-K1133 VanDerWaalsContact O-N 3.07Å; E1129-K1133 WeakPolarHBondContact OE1-CE 3.48Å; E1129-K1133 IonicContact OE1-NZ 2.77Å; E1129-K1133 PolarHBondContact OE1-NZ 3.4Å |
| 1130 | C | 93.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 176.5 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | A1058 Q1062 G1126 T1127 K1133 A1134 | A1058-C1130 HydrophobicContact CB-CB 3.93Å; Q1062-C1130 HydrophobicContact CB-CB 4.37Å; Q1062-C1130 VanDerWaalsContact OE1-CA 3.24Å; Q1062-C1130 VanDerWaalsContact OE1-CB 3.24Å; Q1062-C1130 PolarHBondContact OE1-SG 3.2Å; G1126-C1130 PolarHBondContact O-N 2.94Å; G1126-C1130 PolarHBondContact O-SG 3.43Å; T1127-C1130 PolarHBondContact O-N 2.77Å; C1130-K1133 PolarHBondContact O-N 2.91Å; C1130-A1134 WeakPolarHBondContact O-CB 2.97Å; C1130-A1134 PolarHBondContact O-N 3.49Å |
| 1131 | A | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1088 T1127 R1128 A1134 L1135 | L1088-A1131 HydrophobicContact CB-CB 3.88Å; T1127-A1131 WeakPolarHBondContact O-CB 3.38Å; T1127-A1131 PolarHBondContact O-N 3.31Å; R1128-A1131 PolarHBondContact O-N 3.07Å; A1131-A1134 WeakPolarHBondContact O-CB 3.44Å; A1131-A1134 PolarHBondContact O-N 3.37Å; A1131-L1135 VanDerWaalsContact O-CG 3.31Å; A1131-L1135 WeakPolarHBondContact O-CG 3.33Å; A1131-L1135 PolarHBondContact O-N 3.33Å |
| 1132 | K | 91.4 | Very high | 89.1 | Confident | 99 Ų | 99 | 58.6 Ų | 58.6 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 174.9 | -78.2 | 176.7 | -178.6 | -179.4 | 0 | 111.8 | R1128 E1129 A1134 L1135 E1136 | R1128-K1132 WeakPolarHBondContact O-CB 3.38Å; R1128-K1132 VanDerWaalsContact O-CG 3.28Å; R1128-K1132 WeakPolarHBondContact O-CG 3.47Å; R1128-K1132 PolarHBondContact O-N 3.5Å; E1129-K1132 PolarHBondContact O-N 3.24Å; K1132-A1134 VanDerWaalsContact C-N 3.29Å; K1132-A1134 PolarHBondContact O-N 3.05Å; K1132-L1135 PolarHBondContact O-N 3.2Å; K1132-L1135 VanDerWaalsContact O-N 3.13Å; K1132-E1136 WeakPolarHBondContact O-CG 3.5Å; K1132-E1136 PolarHBondContact O-N 2.87Å |
| 1133 | K | 90.7 | Very high | 88.2 | Confident | 87 Ų | 87 | 54 Ų | 54 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 176.1 | -76.8 | 175.9 | 175.9 | 148.4 | 0 | 112.5 | Q1062 E1129 C1130 R1137 | Q1062-K1133 HydrophobicContact CG-CB 4.26Å; E1129-K1133 WeakPolarHBondContact O-CG 3.34Å; E1129-K1133 PolarHBondContact O-N 2.94Å; E1129-K1133 VanDerWaalsContact O-N 3.07Å; E1129-K1133 WeakPolarHBondContact OE1-CE 3.48Å; E1129-K1133 IonicContact OE1-NZ 2.77Å; E1129-K1133 PolarHBondContact OE1-NZ 3.4Å; C1130-K1133 PolarHBondContact O-N 2.91Å; K1133-R1137 WeakPolarHBondContact O-CB 3.4Å; K1133-R1137 PolarHBondContact O-N 3.33Å |
| 1134 | A | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1062 I1065 L1085 C1130 A1131 K1132 R1137 L1138 | Q1062-A1134 HydrophobicContact CB-CB 4.42Å; I1065-A1134 HydrophobicContact CD1-CB 3.67Å; L1085-A1134 HydrophobicContact CD2-CB 4.19Å; C1130-A1134 WeakPolarHBondContact O-CB 2.97Å; C1130-A1134 PolarHBondContact O-N 3.49Å; A1131-A1134 WeakPolarHBondContact O-CB 3.44Å; A1131-A1134 PolarHBondContact O-N 3.37Å; K1132-A1134 VanDerWaalsContact C-N 3.29Å; K1132-A1134 PolarHBondContact O-N 3.05Å; A1134-R1137 PolarHBondContact O-N 2.85Å; A1134-L1138 WeakPolarHBondContact O-CG 3.28Å; A1134-L1138 PolarHBondContact O-N 3.49Å; A1134-L1138 VanDerWaalsContact O-N 3.08Å |
| 1135 | L | 89.2 | Confident | 85.3 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 179.2 | -69.7 | 169.7 | 0 | 0 | 0 | 112.8 | F1082 L1085 L1086 A1131 K1132 R1137 L1138 K1139 | F1082-L1135 HydrophobicContact CD2-CD2 4.21Å; F1082-L1135 HydrophobicContact CE2-CD2 3.68Å; F1082-L1135 HydrophobicContact CZ-CD2 4.43Å; L1085-L1135 HydrophobicContact CB-CD2 4.28Å; L1086-L1135 HydrophobicContact CD1-CD1 4.23Å; A1131-L1135 VanDerWaalsContact O-CG 3.31Å; A1131-L1135 WeakPolarHBondContact O-CG 3.33Å; A1131-L1135 PolarHBondContact O-N 3.33Å; K1132-L1135 PolarHBondContact O-N 3.2Å; K1132-L1135 VanDerWaalsContact O-N 3.13Å; L1135-R1137 VanDerWaalsContact C-N 3.33Å; L1135-R1137 PolarHBondContact O-N 3.13Å; L1135-L1138 PolarHBondContact O-N 3.32Å; L1135-K1139 PolarHBondContact O-N 2.69Å |
| 1136 | E | 88.3 | Confident | 83.5 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 174.7 | -75.3 | 174.7 | 175.7 | 0 | 0 | 111.1 | K1132 L1138 K1139 E1140 | K1132-E1136 WeakPolarHBondContact O-CG 3.5Å; K1132-E1136 PolarHBondContact O-N 2.87Å; E1136-L1138 PolarHBondContact O-N 3.06Å; E1136-K1139 WeakPolarHBondContact O-CB 3.37Å; E1136-K1139 PolarHBondContact O-N 3.02Å; E1136-E1140 WeakPolarHBondContact O-CG 3.39Å; E1136-E1140 PolarHBondContact O-N 2.74Å |
| 1137 | R | 85 | Confident | 81.3 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 28% | 0.279 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.1 | -169 | 70.1 | 176.7 | 122.9 | 4.9 | 112.7 | I1065 L1066 K1133 A1134 L1135 K1139 E1140 H1141 | I1065-R1137 HydrophobicContact CG2-CB 3.82Å; I1065-R1137 HydrophobicContact CG2-CG 3.86Å; L1066-R1137 HydrophobicContact CD2-CB 4.08Å; L1066-R1137 HydrophobicContact CD2-CG 3.83Å; K1133-R1137 WeakPolarHBondContact O-CB 3.4Å; K1133-R1137 PolarHBondContact O-N 3.33Å; A1134-R1137 PolarHBondContact O-N 2.85Å; L1135-R1137 VanDerWaalsContact C-N 3.33Å; L1135-R1137 PolarHBondContact O-N 3.13Å; R1137-K1139 VanDerWaalsContact C-N 3.26Å; R1137-K1139 PolarHBondContact O-N 3.07Å; R1137-E1140 WeakPolarHBondContact CD-OE2 3.47Å; R1137-E1140 IonicContact CZ-OE2 3.16Å; R1137-E1140 IonicContact NE-OE2 3.71Å; R1137-E1140 IonicContact NH1-OE2 3.3Å; R1137-E1140 PolarHBondContact NH1-OE2 2.88Å; R1137-E1140 WeakPolarHBondContact O-CB 3.49Å; R1137-E1140 PolarHBondContact O-N 2.87Å; R1137-H1141 VanDerWaalsContact CZ-CE1 3.48Å; R1137-H1141 PolarHBondContact NE-NE2 3.42Å; R1137-H1141 PolarHBondContact NH2-CE1 3.3Å; R1137-H1141 VanDerWaalsContact NH2-CE1 3.26Å; R1137-H1141 PolarHBondContact NH2-NE2 3.1Å; R1137-H1141 PolarHBondContact O-CD2 2.84Å; R1137-H1141 PolarHBondContact O-N 2.78Å |
| 1138 | L | 85.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 174.8 | -71 | 173.6 | 0 | 0 | 0 | 112 | I1065 F1082 L1085 A1134 L1135 E1136 H1141 G1142 F1143 V1144 | I1065-L1138 HydrophobicContact CD1-CD1 3.87Å; I1065-L1138 HydrophobicContact CD1-CD2 4.4Å; I1065-L1138 HydrophobicContact CD1-CG 4.09Å; I1065-L1138 HydrophobicContact CG1-CD2 4.28Å; I1065-L1138 HydrophobicContact CG1-CG 4.44Å; I1065-L1138 HydrophobicContact CG2-CD2 3.92Å; I1065-L1138 HydrophobicContact CG2-CG 3.91Å; F1082-L1138 HydrophobicContact CD2-CD1 4.46Å; L1085-L1138 HydrophobicContact CD1-CD1 4.49Å; A1134-L1138 WeakPolarHBondContact O-CG 3.28Å; A1134-L1138 PolarHBondContact O-N 3.49Å; A1134-L1138 VanDerWaalsContact O-N 3.08Å; L1135-L1138 PolarHBondContact O-N 3.32Å; E1136-L1138 PolarHBondContact O-N 3.06Å; L1138-H1141 PolarHBondContact O-N 2.95Å; L1138-G1142 PolarHBondContact O-N 3.37Å; L1138-F1143 HydrophobicContact CD2-CD2 4.18Å; L1138-F1143 PolarHBondContact O-N 2.77Å; L1138-V1144 HydrophobicContact CB-CG2 4.04Å |
| 1139 | K | 82.1 | Confident | 76.8 | Confident | 116 Ų | 116 | 74.7 Ų | 74.7 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 173 | -178.8 | -175.4 | 177.7 | -176.6 | 0 | 111.8 | L1135 E1136 R1137 H1141 G1142 | L1135-K1139 PolarHBondContact O-N 2.69Å; E1136-K1139 WeakPolarHBondContact O-CB 3.37Å; E1136-K1139 PolarHBondContact O-N 3.02Å; R1137-K1139 VanDerWaalsContact C-N 3.26Å; R1137-K1139 PolarHBondContact O-N 3.07Å; K1139-H1141 VanDerWaalsContact C-N 3.25Å; K1139-H1141 PolarHBondContact O-N 3.23Å; K1139-G1142 WeakPolarHBondContact O-CA 3.5Å; K1139-G1142 PolarHBondContact O-N 2.84Å |
| 1140 | E | 81.3 | Confident | 74 | Confident | 139 Ų | 139 | 82.1 Ų | 82.1 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.7 | -36.6 | 176.2 | -72.3 | 177.6 | 176.5 | 0 | 0 | 112.7 | E1136 R1137 G1142 | E1136-E1140 WeakPolarHBondContact O-CG 3.39Å; E1136-E1140 PolarHBondContact O-N 2.74Å; R1137-E1140 WeakPolarHBondContact CD-OE2 3.47Å; R1137-E1140 IonicContact CZ-OE2 3.16Å; R1137-E1140 IonicContact NE-OE2 3.71Å; R1137-E1140 IonicContact NH1-OE2 3.3Å; R1137-E1140 PolarHBondContact NH1-OE2 2.88Å; R1137-E1140 WeakPolarHBondContact O-CB 3.49Å; R1137-E1140 PolarHBondContact O-N 2.87Å; E1140-G1142 PolarHBondContact O-N 3.03Å |
| 1141 | H | 79.6 | Confident | 73 | Confident | 48 Ų | 48 | 85.8 Ų | 85.8 | 22% | 0.222 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -4.1 | 174.8 | -72.6 | -59.5 | 0 | 0 | 0 | 114.2 | R1070 R1137 L1138 K1139 F1143 | R1070-H1141 PolarHBondContact NH2-O 3.17Å; R1137-H1141 VanDerWaalsContact CZ-CE1 3.48Å; R1137-H1141 PolarHBondContact NE-NE2 3.42Å; R1137-H1141 PolarHBondContact NH2-CE1 3.3Å; R1137-H1141 VanDerWaalsContact NH2-CE1 3.26Å; R1137-H1141 PolarHBondContact NH2-NE2 3.1Å; R1137-H1141 PolarHBondContact O-CD2 2.84Å; R1137-H1141 PolarHBondContact O-N 2.78Å; L1138-H1141 PolarHBondContact O-N 2.95Å; K1139-H1141 VanDerWaalsContact C-N 3.25Å; K1139-H1141 PolarHBondContact O-N 3.23Å; H1141-F1143 HydrophobicContact CB-CD2 3.48Å; H1141-F1143 VanDerWaalsContact CB-CD2 3.48Å; H1141-F1143 HydrophobicContact CB-CE2 3.44Å; H1141-F1143 VanDerWaalsContact CB-CE2 3.44Å; H1141-F1143 HydrophobicContact CB-CG 4.4Å; H1141-F1143 HydrophobicContact CB-CZ 4.3Å |
| 1142 | G | 76.6 | Confident | 72 | Confident | 58 Ų | 58 | 90.3 Ų | 90.3 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 12.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1138 K1139 E1140 | L1138-G1142 PolarHBondContact O-N 3.37Å; K1139-G1142 WeakPolarHBondContact O-CA 3.5Å; K1139-G1142 PolarHBondContact O-N 2.84Å; E1140-G1142 PolarHBondContact O-N 3.03Å |
| 1143 | F | 73.8 | Confident | 70.9 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 24% | 0.241 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -81.4 | -20.7 | -177.1 | -61.6 | -52.5 | 0 | 0 | 0 | 113.7 | R1070 E1074 C1077 L1138 H1141 | R1070-F1143 HydrophobicContact CG-CE2 3.97Å; R1070-F1143 HydrophobicContact CG-CZ 3.58Å; E1074-F1143 HydrophobicContact CG-CD1 3.89Å; E1074-F1143 HydrophobicContact CG-CE1 3.17Å; E1074-F1143 HydrophobicContact CG-CE2 4.13Å; E1074-F1143 HydrophobicContact CG-CZ 3.29Å; E1074-F1143 WeakPolarHBondContact OE1-CE1 3.45Å; C1077-F1143 HydrophobicContact CB-CB 4.46Å; C1077-F1143 VanDerWaalsContact SG-CB 3.59Å; L1138-F1143 HydrophobicContact CD2-CD2 4.18Å; L1138-F1143 PolarHBondContact O-N 2.77Å; H1141-F1143 HydrophobicContact CB-CD2 3.48Å; H1141-F1143 VanDerWaalsContact CB-CD2 3.48Å; H1141-F1143 HydrophobicContact CB-CE2 3.44Å; H1141-F1143 VanDerWaalsContact CB-CE2 3.44Å; H1141-F1143 HydrophobicContact CB-CG 4.4Å; H1141-F1143 HydrophobicContact CB-CZ 4.3Å |
| 1144 | V | 63.7 | Low | 69.8 | Low | 18 Ų | 18 | 90 Ų | 90 | 11% | 0.109 | 45% | 0.449 | C | S | . | . | trans | -128.5 | 118.7 | -176.7 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | F1082 L1138 K1146 | F1082-V1144 HydrophobicContact CD2-CG2 4.43Å; F1082-V1144 HydrophobicContact CE2-CG1 4.21Å; F1082-V1144 HydrophobicContact CE2-CG2 3.58Å; F1082-V1144 HydrophobicContact CZ-CG1 3.88Å; F1082-V1144 HydrophobicContact CZ-CG2 4.04Å; L1138-V1144 HydrophobicContact CB-CG2 4.04Å; V1144-K1146 WeakPolarHBondContact CG1-O 3.32Å | ||
| 1145 | Q | 59.8 | Low | 68.5 | Low | 194 Ų | 194 | 95.6 Ų | 95.6 | 91% | 0.907 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -79.9 | -26.6 | -178 | -72.9 | -173.7 | -3.6 | 0 | 0 | 113.7 | ||
| 1146 | K | 53.5 | Low | 67.1 | Low | 183 Ų | 183 | 101.5 Ų | 101.5 | 80% | 0.796 | 51% | 0.506 | S | S | * | . | trans | -149.5 | 128.8 | -179.8 | -71.1 | -177.1 | 178.1 | 178 | 0 | 110.5 | V1144 | V1144-K1146 WeakPolarHBondContact CG1-O 3.32Š| ||
| 1147 | T | 48.4 | Very low | 65.6 | Low | 60 Ų | 60 | 100.5 Ų | 100.5 | 37% | 0.368 | 50% | 0.504 | S | S | . | . | trans | -76.3 | 138.4 | 159.3 | 40.4 | 0 | 0 | 0 | 0 | 108.3 | N1149 | T1147-N1149 PolarHBondContact O-N 3.08Å; T1147-N1149 VanDerWaalsContact O-N 3.08Å | ||
| 1148 | P | 47.6 | Very low | 64.1 | Low | 64 Ų | 64 | 102.5 Ų | 102.5 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -69.4 | 110.9 | 172.6 | 18.6 | -11.8 | 0 | 0 | 0 | 108.8 | L1086 | L1086-P1148 VanDerWaalsContact CD1-CD 3.44Å; L1086-P1148 HydrophobicContact CD1-CG 3.4Å; L1086-P1148 VanDerWaalsContact CD1-CG 3.4Å; L1086-P1148 HydrophobicContact CD2-CG 3.54Å; L1086-P1148 HydrophobicContact CG-CG 4.02Å |
| 1149 | N | 45.5 | Very low | 62.3 | Low | 148 Ų | 148 | 111 Ų | 111 | 79% | 0.791 | 56% | 0.564 | S | S | * | * | trans | 48.9 | 97.8 | 168.5 | -62 | -3.8 | 0 | 0 | 0 | 119.4 | T1147 | T1147-N1149 PolarHBondContact O-N 3.08Å; T1147-N1149 VanDerWaalsContact O-N 3.08Å | ||
| 1150 | Q | 35.8 | Very low | 60.5 | Low | 249 Ų | 249 | 110.5 Ų | 110.5 | 100% | 1.164 | 57% | 0.569 | S | S | * | * | -63.2 | 0 | 108.4 | -71.8 | 179 | -22.2 | 0 | 0 | 108.6 |
Retrieved 1,150 of 1,150 residues in 428.9 ms
(Link to these results)