| 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 | 21.3 | Very low | 28.8 | Very low | 241 Ų | 241 | 124.2 Ų | 124.2 | 100% | 1.187 | 70% | 0.696 | S | S | * | * | 0 | 98.7 | 0 | -71.6 | 179.5 | 178.5 | 0 | 0 | 108.6 | |||||
| 2 | T | 23 | Very low | 29.5 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 61% | 0.607 | 67% | 0.668 | S | S | * | * | trans | -87.8 | 115.7 | 174.5 | 40.4 | 0 | 0 | 0 | 0 | 108.4 | N4 | T2-N4 PolarHBondContact O-N 2.86Š| ||
| 3 | F | 24.1 | Very low | 30.1 | Very low | 193 Ų | 193 | 113.4 Ų | 113.4 | 85% | 0.846 | 63% | 0.633 | S | S | * | * | trans | -61.7 | 119.4 | 167.2 | -80 | -89.1 | 0 | 0 | 0 | 108.1 | T5 | F3-T5 PolarHBondContact O-N 3.49Š| ||
| 4 | N | 24.4 | Very low | 31.1 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -62.8 | 89.2 | 170.8 | -97.6 | -16.3 | 0 | 0 | 0 | 108.5 | T2 Q6 | T2-N4 PolarHBondContact O-N 2.86Å; N4-Q6 PolarHBondContact O-N 2.92Å; N4-Q6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | T | 27.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 106.2 Ų | 106.2 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | trans | -79.5 | 64.4 | 161 | 55.5 | 0 | 0 | 0 | 0 | 108.1 | F3 G7 | F3-T5 PolarHBondContact O-N 3.49Å; T5-G7 VanDerWaalsContact C-N 3.3Å | ||
| 6 | Q | 26.6 | Very low | 33.5 | Very low | 159 Ų | 159 | 103 Ų | 103 | 74% | 0.743 | 58% | 0.583 | S | S | * | * | trans | -88.2 | 88.7 | 146.8 | -82.4 | -178.3 | -23.2 | 0 | 0 | 103.9 | N4 P8 | N4-Q6 PolarHBondContact O-N 2.92Å; N4-Q6 VanDerWaalsContact O-N 3.07Å; Q6-P8 WeakPolarHBondContact O-CD 3.46Å | ||
| 7 | G | 29.5 | Very low | 35.1 | Very low | 68 Ų | 68 | 97.7 Ų | 97.7 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | T5 | T5-G7 VanDerWaalsContact C-N 3.3Š|
| 8 | P | 28.2 | Very low | 36.9 | Very low | 80 Ų | 80 | 98.4 Ų | 98.4 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 142.4 | 171.1 | 27.1 | -30.2 | 0 | 0 | 0 | 108.1 | Q6 E10 L13 | Q6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-E10 PolarHBondContact O-N 3.2Å; P8-L13 HydrophobicContact CG-CD1 4.31Å |
| 9 | S | 30.5 | Very low | 38.5 | Very low | 80 Ų | 80 | 96.4 Ų | 96.4 | 56% | 0.559 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 129.6 | 177 | 36.6 | 0 | 0 | 0 | 0 | 111.5 | S11 D12 | S9-S11 PolarHBondContact O-N 3.22Å; S9-D12 PolarHBondContact O-N 2.74Å; S9-D12 VanDerWaalsContact O-N 3.11Å |
| 10 | E | 38 | Very low | 40.1 | Very low | 132 Ų | 132 | 93.7 Ų | 93.7 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.3 | -163.1 | -67.9 | 174 | 144.3 | 0 | 0 | 115.6 | P8 D12 L13 S1088 | P8-E10 PolarHBondContact O-N 3.2Å; E10-D12 VanDerWaalsContact C-N 3.31Å; E10-D12 PolarHBondContact O-N 2.95Å; E10-L13 WeakPolarHBondContact O-CB 3.35Å; E10-L13 PolarHBondContact O-N 3.05Å; E10-S1088 WeakPolarHBondContact OE1-CB 3.47Å |
| 11 | S | 43.3 | Very low | 41.6 | Very low | 62 Ų | 62 | 90.4 Ų | 90.4 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -19 | 178.5 | 57 | 0 | 0 | 0 | 0 | 114.2 | S9 L13 | S9-S11 PolarHBondContact O-N 3.22Å; S11-L13 VanDerWaalsContact C-N 3.27Å; S11-L13 PolarHBondContact O-N 3.22Å |
| 12 | D | 36.8 | Very low | 44.2 | Very low | 69 Ų | 69 | 83.3 Ų | 83.3 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.7 | -14.1 | 173 | -74.6 | -34.1 | 0 | 0 | 0 | 112.4 | S9 E10 K15 D16 | S9-D12 PolarHBondContact O-N 2.74Å; S9-D12 VanDerWaalsContact O-N 3.11Å; E10-D12 VanDerWaalsContact C-N 3.31Å; E10-D12 PolarHBondContact O-N 2.95Å; D12-K15 WeakPolarHBondContact O-CB 3.49Å; D12-K15 PolarHBondContact O-N 3.04Å; D12-K15 IonicContact OD1-NZ 2.7Å; D12-D16 PolarHBondContact O-N 3.12Å |
| 13 | L | 37.8 | Very low | 46.8 | Very low | 39 Ų | 39 | 84 Ų | 84 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -77.8 | -29.5 | -170.5 | -126.1 | 83.1 | 0 | 0 | 0 | 114.5 | P8 E10 S11 D16 A17 Y50 | P8-L13 HydrophobicContact CG-CD1 4.31Å; E10-L13 WeakPolarHBondContact O-CB 3.35Å; E10-L13 PolarHBondContact O-N 3.05Å; S11-L13 VanDerWaalsContact C-N 3.27Å; S11-L13 PolarHBondContact O-N 3.22Å; L13-D16 WeakPolarHBondContact O-CB 3.11Å; L13-D16 PolarHBondContact O-N 3.29Å; L13-A17 PolarHBondContact O-N 3.3Å; L13-A17 VanDerWaalsContact O-N 3.08Å; L13-Y50 HydrophobicContact CD2-CE1 4.25Å; L13-Y50 HydrophobicContact CG-CE1 4.36Å; L13-Y50 WeakPolarHBondContact O-CE1 3.4Å; L13-Y50 PolarHBondContact O-OH 3.41Å; L13-Y50 VanDerWaalsContact O-OH 3.04Å |
| 14 | G | 43.7 | Very low | 49.6 | Very low | 50 Ų | 50 | 75.2 Ų | 75.2 | 52% | 0.515 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.3 | -35.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | A17 N18 | G14-A17 PolarHBondContact O-N 3.1Å; G14-N18 PolarHBondContact O-N 2.91Å |
| 15 | K | 46.5 | Very low | 52.4 | Low | 69 Ų | 69 | 71.3 Ų | 71.3 | 30% | 0.3 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 167.8 | -62.6 | 174.7 | -178.9 | 169.7 | 0 | 110 | D12 A17 N18 V19 N946 | D12-K15 WeakPolarHBondContact O-CB 3.49Å; D12-K15 PolarHBondContact O-N 3.04Å; D12-K15 IonicContact OD1-NZ 2.7Å; K15-A17 VanDerWaalsContact C-N 3.3Å; K15-A17 PolarHBondContact O-N 3.31Å; K15-N18 PolarHBondContact O-N 3.05Å; K15-V19 VanDerWaalsContact O-CB 3.27Å; K15-V19 WeakPolarHBondContact O-CB 3.49Å; K15-V19 WeakPolarHBondContact O-CG2 3.05Å; K15-V19 PolarHBondContact O-N 2.87Å; K15-N946 WeakPolarHBondContact CE-OD1 3.36Å; K15-N946 PolarHBondContact NZ-OD1 3.2Å |
| 16 | D | 54.6 | Low | 55 | Low | 55 Ų | 55 | 72.1 Ų | 72.1 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 175.9 | -85.1 | -5.2 | 0 | 0 | 0 | 112 | D12 L13 V19 L20 K49 Y50 | D12-D16 PolarHBondContact O-N 3.12Å; L13-D16 WeakPolarHBondContact O-CB 3.11Å; L13-D16 PolarHBondContact O-N 3.29Å; D16-V19 PolarHBondContact O-N 3.23Å; D16-L20 HydrophobicContact CB-CD1 4.16Å; D16-L20 WeakPolarHBondContact O-CA 3.33Å; D16-L20 WeakPolarHBondContact O-CB 3.45Å; D16-L20 VanDerWaalsContact O-CD1 3.29Å; D16-L20 WeakPolarHBondContact O-CD1 3.32Å; D16-L20 WeakPolarHBondContact O-CG 3.49Å; D16-L20 PolarHBondContact O-N 2.87Å; D16-K49 IonicContact OD2-NZ 2.91Å; D16-K49 PolarHBondContact OD2-NZ 3.4Å; D16-Y50 WeakPolarHBondContact CB-OH 3.48Å |
| 17 | A | 61.4 | Low | 57.8 | Low | 13 Ų | 13 | 64.9 Ų | 64.9 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -50.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 G14 K15 L20 I21 Y50 | L13-A17 PolarHBondContact O-N 3.3Å; L13-A17 VanDerWaalsContact O-N 3.08Å; G14-A17 PolarHBondContact O-N 3.1Å; K15-A17 VanDerWaalsContact C-N 3.3Å; K15-A17 PolarHBondContact O-N 3.31Å; A17-L20 PolarHBondContact O-N 3.33Å; A17-I21 WeakPolarHBondContact O-CB 3.3Å; A17-I21 WeakPolarHBondContact O-CD1 3.43Å; A17-I21 WeakPolarHBondContact O-CG1 3.3Å; A17-I21 PolarHBondContact O-N 2.93Å; A17-Y50 HydrophobicContact CB-CD1 3.74Å; A17-Y50 HydrophobicContact CB-CD2 4.36Å; A17-Y50 HydrophobicContact CB-CE1 3.7Å; A17-Y50 HydrophobicContact CB-CE2 4.33Å; A17-Y50 HydrophobicContact CB-CG 4.07Å |
| 18 | N | 66.1 | Low | 60.4 | Low | 110 Ų | 110 | 61.9 Ų | 61.9 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 178.7 | -76 | -23 | 0 | 0 | 0 | 111.8 | G14 K15 I21 M22 | G14-N18 PolarHBondContact O-N 2.91Å; K15-N18 PolarHBondContact O-N 3.05Å; N18-I21 PolarHBondContact O-N 2.95Å; N18-M22 VanDerWaalsContact O-CB 3.31Å; N18-M22 WeakPolarHBondContact O-CB 3.21Å; N18-M22 PolarHBondContact O-N 3.46Å |
| 19 | V | 68.9 | Low | 63 | Low | 61 Ų | 61 | 64.6 Ų | 64.6 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | K15 D16 M22 E23 | K15-V19 VanDerWaalsContact O-CB 3.27Å; K15-V19 WeakPolarHBondContact O-CB 3.49Å; K15-V19 WeakPolarHBondContact O-CG2 3.05Å; K15-V19 PolarHBondContact O-N 2.87Å; D16-V19 PolarHBondContact O-N 3.23Å; V19-M22 HydrophobicContact CG1-CE 4.49Å; V19-M22 CarbonylContact O-C 3.51Å; V19-M22 WeakPolarHBondContact O-CA 2.83Å; V19-M22 WeakPolarHBondContact O-CB 3.47Å; V19-M22 PolarHBondContact O-N 3.37Å; V19-M22 VanDerWaalsContact O-N 3.16Å; V19-E23 HydrophobicContact CG1-CG 4.41Å; V19-E23 WeakPolarHBondContact O-CB 3.49Å; V19-E23 WeakPolarHBondContact O-CG 3.07Å; V19-E23 PolarHBondContact O-N 3.3Å |
| 20 | L | 69.8 | Low | 65.6 | Low | 42 Ų | 42 | 61.9 Ų | 61.9 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 176.7 | -75.2 | 164.8 | 0 | 0 | 0 | 111.1 | D16 A17 M22 E23 L24 Y50 | D16-L20 HydrophobicContact CB-CD1 4.16Å; D16-L20 WeakPolarHBondContact O-CA 3.33Å; D16-L20 WeakPolarHBondContact O-CB 3.45Å; D16-L20 VanDerWaalsContact O-CD1 3.29Å; D16-L20 WeakPolarHBondContact O-CD1 3.32Å; D16-L20 WeakPolarHBondContact O-CG 3.49Å; D16-L20 PolarHBondContact O-N 2.87Å; A17-L20 PolarHBondContact O-N 3.33Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 3.31Å; L20-E23 PolarHBondContact O-N 3.39Å; L20-L24 VanDerWaalsContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 3.39Å; L20-Y50 HydrophobicContact CD1-CD2 4.5Å; L20-Y50 HydrophobicContact CD1-CE2 3.59Å |
| 21 | I | 72.2 | Confident | 67.8 | Low | 25 Ų | 25 | 62.8 Ų | 62.8 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 173.1 | -68.9 | 162.6 | 0 | 0 | 0 | 109.9 | A17 N18 N25 V55 | A17-I21 WeakPolarHBondContact O-CB 3.3Å; A17-I21 WeakPolarHBondContact O-CD1 3.43Å; A17-I21 WeakPolarHBondContact O-CG1 3.3Å; A17-I21 PolarHBondContact O-N 2.93Å; N18-I21 PolarHBondContact O-N 2.95Å; I21-N25 VanDerWaalsContact O-CB 3.25Å; I21-N25 WeakPolarHBondContact O-CB 3.43Å; I21-N25 PolarHBondContact O-N 3.01Å; I21-N25 PolarHBondContact O-ND2 3.07Å; I21-N25 VanDerWaalsContact O-ND2 3.13Å; I21-V55 HydrophobicContact CD1-CB 4.37Å; I21-V55 HydrophobicContact CD1-CG1 3.93Å; I21-V55 HydrophobicContact CD1-CG2 3.95Å; I21-V55 HydrophobicContact CG1-CG1 4.27Å |
| 22 | M | 75.3 | Confident | 70 | Confident | 92 Ų | 92 | 64 Ų | 64 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 175 | -177.5 | -174.5 | 58.7 | 0 | 0 | 112 | N18 V19 L20 N25 K26 | N18-M22 VanDerWaalsContact O-CB 3.31Å; N18-M22 WeakPolarHBondContact O-CB 3.21Å; N18-M22 PolarHBondContact O-N 3.46Å; V19-M22 HydrophobicContact CG1-CE 4.49Å; V19-M22 CarbonylContact O-C 3.51Å; V19-M22 WeakPolarHBondContact O-CA 2.83Å; V19-M22 WeakPolarHBondContact O-CB 3.47Å; V19-M22 PolarHBondContact O-N 3.37Å; V19-M22 VanDerWaalsContact O-N 3.16Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 3.31Å; M22-N25 PolarHBondContact O-N 3.49Å; M22-K26 WeakPolarHBondContact O-CG 3.47Å; M22-K26 PolarHBondContact O-N 3.33Å |
| 23 | E | 78.3 | Confident | 72.3 | Confident | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.2 | -75.6 | -172.9 | 167.6 | 0 | 0 | 112 | V19 L20 N25 K26 G27 | V19-E23 HydrophobicContact CG1-CG 4.41Å; V19-E23 WeakPolarHBondContact O-CB 3.49Å; V19-E23 WeakPolarHBondContact O-CG 3.07Å; V19-E23 PolarHBondContact O-N 3.3Å; L20-E23 PolarHBondContact O-N 3.39Å; E23-N25 VanDerWaalsContact C-N 3.29Å; E23-N25 PolarHBondContact O-N 3.27Å; E23-K26 PolarHBondContact O-N 3.33Å; E23-G27 PolarHBondContact O-N 3.37Å |
| 24 | L | 82.1 | Confident | 74.7 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 171.1 | -74.9 | 178 | 0 | 0 | 0 | 109.7 | L20 K26 G27 F28 T39 Q42 F43 V46 I59 | L20-L24 VanDerWaalsContact O-CB 3.26Å; L20-L24 WeakPolarHBondContact O-CB 3.16Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 3.39Å; L24-K26 PolarHBondContact O-N 3.47Å; L24-G27 PolarHBondContact O-N 2.63Å; L24-G27 VanDerWaalsContact O-N 3.16Å; L24-F28 HydrophobicContact CB-CD2 4.28Å; L24-F28 HydrophobicContact CB-CE2 3.82Å; L24-F28 HydrophobicContact CB-CZ 4.31Å; L24-F28 HydrophobicContact CD2-CZ 4.35Å; L24-F28 WeakPolarHBondContact O-CB 3.37Å; L24-F28 WeakPolarHBondContact O-CD2 3.5Å; L24-F28 WeakPolarHBondContact O-CG 3.33Å; L24-F28 PolarHBondContact O-N 3.34Å; L24-T39 HydrophobicContact CB-CG2 4.28Å; L24-T39 HydrophobicContact CD2-CG2 3.54Å; L24-T39 WeakPolarHBondContact O-CG2 3.23Å; L24-Q42 HydrophobicContact CD2-CB 4.48Å; L24-F43 HydrophobicContact CD1-CB 4.2Å; L24-F43 HydrophobicContact CD2-CB 4.28Å; L24-V46 HydrophobicContact CD1-CB 4.1Å; L24-V46 HydrophobicContact CD1-CG1 3.95Å; L24-V46 HydrophobicContact CD1-CG2 4Å; L24-I59 HydrophobicContact CD1-CD1 3.8Å; L24-I59 HydrophobicContact CD1-CG1 4.32Å |
| 25 | N | 82.6 | Confident | 76.8 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 177.6 | -76.7 | -28.4 | 0 | 0 | 0 | 112.4 | I21 M22 E23 F28 Q29 | I21-N25 VanDerWaalsContact O-CB 3.25Å; I21-N25 WeakPolarHBondContact O-CB 3.43Å; I21-N25 PolarHBondContact O-N 3.01Å; I21-N25 PolarHBondContact O-ND2 3.07Å; I21-N25 VanDerWaalsContact O-ND2 3.13Å; M22-N25 PolarHBondContact O-N 3.49Å; E23-N25 VanDerWaalsContact C-N 3.29Å; E23-N25 PolarHBondContact O-N 3.27Å; N25-F28 PolarHBondContact O-N 3.18Å; N25-Q29 WeakPolarHBondContact O-CB 3.15Å; N25-Q29 VanDerWaalsContact O-CG 3.3Å; N25-Q29 WeakPolarHBondContact O-CG 3.5Å; N25-Q29 PolarHBondContact O-N 3.46Å |
| 26 | K | 83.9 | Confident | 78.8 | Confident | 131 Ų | 131 | 64 Ų | 64 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 173.3 | -74.4 | 175.9 | -177.7 | 178.5 | 0 | 111.7 | M22 E23 L24 Q29 S30 | M22-K26 WeakPolarHBondContact O-CG 3.47Å; M22-K26 PolarHBondContact O-N 3.33Å; E23-K26 PolarHBondContact O-N 3.33Å; L24-K26 PolarHBondContact O-N 3.47Å; K26-Q29 PolarHBondContact O-N 3.38Å; K26-S30 PolarHBondContact O-N 3.07Å |
| 27 | G | 84.2 | Confident | 80.3 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E23 L24 Q29 S30 T39 | E23-G27 PolarHBondContact O-N 3.37Å; L24-G27 PolarHBondContact O-N 2.63Å; L24-G27 VanDerWaalsContact O-N 3.16Å; G27-Q29 VanDerWaalsContact C-N 3.34Å; G27-Q29 PolarHBondContact O-N 3.11Å; G27-S30 VanDerWaalsContact O-CB 3.25Å; G27-S30 WeakPolarHBondContact O-CB 3.33Å; G27-S30 PolarHBondContact O-N 2.68Å; G27-T39 VanDerWaalsContact CA-OG1 3.31Å; G27-T39 WeakPolarHBondContact CA-OG1 3.39Å |
| 28 | F | 83.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.1 | -34.6 | 175.7 | -68.8 | -34.2 | 0 | 0 | 0 | 113.1 | L24 N25 S30 Q36 T39 I40 F43 K62 I63 I66 | L24-F28 HydrophobicContact CB-CD2 4.28Å; L24-F28 HydrophobicContact CB-CE2 3.82Å; L24-F28 HydrophobicContact CB-CZ 4.31Å; L24-F28 HydrophobicContact CD2-CZ 4.35Å; L24-F28 WeakPolarHBondContact O-CB 3.37Å; L24-F28 WeakPolarHBondContact O-CD2 3.5Å; L24-F28 WeakPolarHBondContact O-CG 3.33Å; L24-F28 PolarHBondContact O-N 3.34Å; N25-F28 PolarHBondContact O-N 3.18Å; F28-S30 VanDerWaalsContact C-N 3.32Å; F28-Q36 PolarHBondContact O-NE2 3.16Å; F28-T39 HydrophobicContact CD1-CG2 3.55Å; F28-T39 HydrophobicContact CE1-CG2 3.46Å; F28-T39 VanDerWaalsContact CE1-CG2 3.46Å; F28-T39 HydrophobicContact CE2-CG2 4.49Å; F28-T39 HydrophobicContact CG-CG2 4.12Å; F28-T39 HydrophobicContact CZ-CG2 3.96Å; F28-I40 HydrophobicContact CD1-CG1 4.47Å; F28-I40 HydrophobicContact CE1-CG1 4.09Å; F28-F43 HydrophobicContact CZ-CB 4.34Å; F28-K62 HydrophobicContact CB-CG 4.36Å; F28-K62 HydrophobicContact CD2-CG 3.72Å; F28-K62 HydrophobicContact CE2-CG 4.41Å; F28-K62 HydrophobicContact CG-CG 4.32Å; F28-I63 HydrophobicContact CD1-CD1 4.43Å; F28-I63 HydrophobicContact CE1-CD1 3.58Å; F28-I63 HydrophobicContact CE2-CD1 4.37Å; F28-I63 HydrophobicContact CZ-CD1 3.55Å; F28-I63 HydrophobicContact CZ-CG1 4.24Å; F28-I66 HydrophobicContact CB-CD1 3.54Å; F28-I66 HydrophobicContact CB-CG1 4.49Å; F28-I66 HydrophobicContact CD1-CD1 3.3Å; F28-I66 HydrophobicContact CD2-CD1 4.25Å; F28-I66 HydrophobicContact CE1-CD1 4.04Å; F28-I66 HydrophobicContact CG-CD1 3.44Å; F28-I66 VanDerWaalsContact CG-CD1 3.44Å |
| 29 | Q | 84.3 | Confident | 82.6 | Confident | 136 Ų | 136 | 63.2 Ų | 63.2 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -0.5 | 177.2 | -68.9 | 174.6 | -2.6 | 0 | 0 | 113.5 | N25 K26 G27 | N25-Q29 WeakPolarHBondContact O-CB 3.15Å; N25-Q29 VanDerWaalsContact O-CG 3.3Å; N25-Q29 WeakPolarHBondContact O-CG 3.5Å; N25-Q29 PolarHBondContact O-N 3.46Å; K26-Q29 PolarHBondContact O-N 3.38Å; G27-Q29 VanDerWaalsContact C-N 3.34Å; G27-Q29 PolarHBondContact O-N 3.11Å |
| 30 | S | 85.2 | Confident | 83.6 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | trans | -64.9 | 139.1 | 179.4 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | K26 G27 F28 N32 Q36 | K26-S30 PolarHBondContact O-N 3.07Å; G27-S30 VanDerWaalsContact O-CB 3.25Å; G27-S30 WeakPolarHBondContact O-CB 3.33Å; G27-S30 PolarHBondContact O-N 2.68Å; F28-S30 VanDerWaalsContact C-N 3.32Å; S30-N32 PolarHBondContact O-N 3.41Å; S30-N32 PolarHBondContact OG-N 3.34Å; S30-Q36 VanDerWaalsContact O-CD 3.25Å; S30-Q36 WeakPolarHBondContact O-CG 3.32Å; S30-Q36 PolarHBondContact O-NE2 3.24Å; S30-Q36 VanDerWaalsContact O-NE2 3.1Å | ||
| 31 | T | 83.9 | Confident | 84.4 | Confident | 151 Ų | 151 | 61.7 Ų | 61.7 | 93% | 0.926 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -72.2 | -14.8 | 170.9 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 32 | N | 88.1 | Confident | 85 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | trans | -87.6 | 114.2 | 179.7 | -173.7 | -40.4 | 0 | 0 | 0 | 110.6 | S30 G34 I35 Q36 | S30-N32 PolarHBondContact O-N 3.41Å; S30-N32 PolarHBondContact OG-N 3.34Å; N32-G34 PolarHBondContact O-N 3.13Å; N32-G34 WeakPolarHBondContact OD1-CA 3.31Å; N32-G34 PolarHBondContact OD1-N 3.42Å; N32-I35 HydrophobicContact CB-CB 4.23Å; N32-I35 HydrophobicContact CB-CD1 3.9Å; N32-I35 HydrophobicContact CB-CG1 3.94Å; N32-I35 PolarHBondContact O-N 3.33Å; N32-I35 PolarHBondContact OD1-N 3.21Å; N32-Q36 PolarHBondContact O-N 3.37Å | ||
| 33 | L | 86.7 | Confident | 85.5 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 37% | 0.372 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.6 | -37.8 | 178.7 | -173.6 | 69.8 | 0 | 0 | 0 | 113 | Q36 C37 Y73 L74 | L33-Q36 PolarHBondContact O-N 3.15Å; L33-C37 WeakPolarHBondContact O-CB 3.37Å; L33-C37 PolarHBondContact O-N 2.73Å; L33-C37 PolarHBondContact O-SG 3.12Å; L33-Y73 HydrophobicContact CD2-CD1 4.37Å; L33-L74 HydrophobicContact CD1-CD1 3.76Å; L33-L74 HydrophobicContact CD1-CD2 3.68Å; L33-L74 HydrophobicContact CD1-CG 3.6Å |
| 34 | G | 88.2 | Confident | 85.9 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N32 K38 | N32-G34 PolarHBondContact O-N 3.13Å; N32-G34 WeakPolarHBondContact OD1-CA 3.31Å; N32-G34 PolarHBondContact OD1-N 3.42Å; G34-K38 WeakPolarHBondContact O-CB 3.48Å; G34-K38 PolarHBondContact O-N 2.73Å |
| 35 | I | 87.6 | Confident | 85.8 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69 | -44.2 | 175.3 | -62.3 | -179.9 | 0 | 0 | 0 | 110.1 | N32 C37 K38 T39 | N32-I35 HydrophobicContact CB-CB 4.23Å; N32-I35 HydrophobicContact CB-CD1 3.9Å; N32-I35 HydrophobicContact CB-CG1 3.94Å; N32-I35 PolarHBondContact O-N 3.33Å; N32-I35 PolarHBondContact OD1-N 3.21Å; I35-C37 VanDerWaalsContact C-N 3.34Å; I35-C37 PolarHBondContact O-N 3.01Å; I35-K38 PolarHBondContact O-N 2.88Å; I35-T39 WeakPolarHBondContact O-CB 3.31Å; I35-T39 PolarHBondContact O-N 2.94Å; I35-T39 PolarHBondContact O-OG1 3.14Å |
| 36 | Q | 88 | Confident | 85.8 | Confident | 36 Ų | 36 | 56 Ų | 56 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 175.6 | -69.1 | -178 | -40.5 | 0 | 0 | 111.3 | F28 S30 N32 L33 K38 T39 I40 L74 | F28-Q36 PolarHBondContact O-NE2 3.16Å; S30-Q36 VanDerWaalsContact O-CD 3.25Å; S30-Q36 WeakPolarHBondContact O-CG 3.32Å; S30-Q36 PolarHBondContact O-NE2 3.24Å; S30-Q36 VanDerWaalsContact O-NE2 3.1Å; N32-Q36 PolarHBondContact O-N 3.37Å; L33-Q36 PolarHBondContact O-N 3.15Å; Q36-K38 PolarHBondContact O-N 3.47Å; Q36-T39 WeakPolarHBondContact O-CB 2.92Å; Q36-T39 PolarHBondContact O-N 2.97Å; Q36-I40 VanDerWaalsContact O-CG1 3.29Å; Q36-I40 WeakPolarHBondContact O-CG1 3.33Å; Q36-I40 PolarHBondContact O-N 3.2Å; Q36-L74 HydrophobicContact CB-CD2 4.08Å |
| 37 | C | 86.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 14% | 0.135 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 178.5 | -67 | 0 | 0 | 0 | 0 | 112.5 | L33 I35 T39 I40 A41 Y73 | L33-C37 WeakPolarHBondContact O-CB 3.37Å; L33-C37 PolarHBondContact O-N 2.73Å; L33-C37 PolarHBondContact O-SG 3.12Å; I35-C37 VanDerWaalsContact C-N 3.34Å; I35-C37 PolarHBondContact O-N 3.01Å; C37-T39 VanDerWaalsContact C-N 3.27Å; C37-T39 PolarHBondContact O-N 3.37Å; C37-I40 PolarHBondContact O-N 2.88Å; C37-A41 WeakPolarHBondContact O-CB 3.42Å; C37-A41 PolarHBondContact O-N 3.31Å; C37-Y73 WeakPolarHBondContact SG-CE1 3.46Å |
| 38 | K | 87.4 | Confident | 85.4 | Confident | 134 Ų | 134 | 53.7 Ų | 53.7 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.5 | -42.3 | 173.9 | -177.7 | -178.4 | 176.8 | -175.3 | 0 | 111.1 | G34 I35 Q36 A41 Q42 | G34-K38 WeakPolarHBondContact O-CB 3.48Å; G34-K38 PolarHBondContact O-N 2.73Å; I35-K38 PolarHBondContact O-N 2.88Å; Q36-K38 PolarHBondContact O-N 3.47Å; K38-A41 PolarHBondContact O-N 3.14Å; K38-Q42 VanDerWaalsContact O-CG 3.23Å; K38-Q42 WeakPolarHBondContact O-CG 3.27Å; K38-Q42 PolarHBondContact O-N 2.9Å; K38-Q42 VanDerWaalsContact O-N 3.1Å |
| 39 | T | 88.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68 | -42.1 | 179.9 | -49 | 0 | 0 | 0 | 0 | 111.4 | L24 G27 F28 I35 Q36 C37 A41 Q42 F43 | L24-T39 HydrophobicContact CB-CG2 4.28Å; L24-T39 HydrophobicContact CD2-CG2 3.54Å; L24-T39 WeakPolarHBondContact O-CG2 3.23Å; G27-T39 VanDerWaalsContact CA-OG1 3.31Å; G27-T39 WeakPolarHBondContact CA-OG1 3.39Å; F28-T39 HydrophobicContact CD1-CG2 3.55Å; F28-T39 HydrophobicContact CE1-CG2 3.46Å; F28-T39 VanDerWaalsContact CE1-CG2 3.46Å; F28-T39 HydrophobicContact CE2-CG2 4.49Å; F28-T39 HydrophobicContact CG-CG2 4.12Å; F28-T39 HydrophobicContact CZ-CG2 3.96Å; I35-T39 WeakPolarHBondContact O-CB 3.31Å; I35-T39 PolarHBondContact O-N 2.94Å; I35-T39 PolarHBondContact O-OG1 3.14Å; Q36-T39 WeakPolarHBondContact O-CB 2.92Å; Q36-T39 PolarHBondContact O-N 2.97Å; C37-T39 VanDerWaalsContact C-N 3.27Å; C37-T39 PolarHBondContact O-N 3.37Å; T39-A41 VanDerWaalsContact C-N 3.31Å; T39-A41 PolarHBondContact O-N 3.49Å; T39-Q42 PolarHBondContact O-N 2.87Å; T39-Q42 VanDerWaalsContact O-N 3.08Å; T39-F43 PolarHBondContact O-N 3.36Å |
| 40 | I | 89.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 174 | -69.2 | 161.8 | 0 | 0 | 0 | 110.8 | F28 Q36 C37 Q42 F43 P44 I63 I66 L74 C77 I78 A81 | F28-I40 HydrophobicContact CD1-CG1 4.47Å; F28-I40 HydrophobicContact CE1-CG1 4.09Å; Q36-I40 VanDerWaalsContact O-CG1 3.29Å; Q36-I40 WeakPolarHBondContact O-CG1 3.33Å; Q36-I40 PolarHBondContact O-N 3.2Å; C37-I40 PolarHBondContact O-N 2.88Å; I40-Q42 PolarHBondContact O-N 2.92Å; I40-F43 HydrophobicContact CG2-CE1 4.23Å; I40-F43 WeakPolarHBondContact O-CD1 3.11Å; I40-F43 VanDerWaalsContact O-CE1 3.31Å; I40-F43 WeakPolarHBondContact O-CE1 3.13Å; I40-P44 WeakPolarHBondContact O-CD 2.93Å; I40-I63 HydrophobicContact CG1-CD1 4.29Å; I40-I66 HydrophobicContact CD1-CG2 4.42Å; I40-L74 HydrophobicContact CD1-CD2 3.74Å; I40-C77 HydrophobicContact CD1-CB 4.5Å; I40-C77 HydrophobicContact CG2-CB 4Å; I40-I78 HydrophobicContact CD1-CD1 4.47Å; I40-I78 HydrophobicContact CD1-CG1 3.95Å; I40-I78 HydrophobicContact CG1-CG1 4.3Å; I40-I78 HydrophobicContact CG2-CG1 4.12Å; I40-A81 HydrophobicContact CG2-CB 3.91Å; I40-A81 WeakPolarHBondContact O-CB 3.2Å |
| 41 | A | 86.5 | Confident | 83.8 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 58% | 0.579 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.5 | -19.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C37 K38 T39 | C37-A41 WeakPolarHBondContact O-CB 3.42Å; C37-A41 PolarHBondContact O-N 3.31Å; K38-A41 PolarHBondContact O-N 3.14Å; T39-A41 VanDerWaalsContact C-N 3.31Å; T39-A41 PolarHBondContact O-N 3.49Å |
| 42 | Q | 84.6 | Confident | 83.4 | Confident | 85 Ų | 85 | 44 Ų | 44 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -89.8 | -32.4 | -177.9 | -79 | 176 | -18.1 | 0 | 0 | 113.7 | L24 K38 T39 I40 P44 S45 V46 | L24-Q42 HydrophobicContact CD2-CB 4.48Å; K38-Q42 VanDerWaalsContact O-CG 3.23Å; K38-Q42 WeakPolarHBondContact O-CG 3.27Å; K38-Q42 PolarHBondContact O-N 2.9Å; K38-Q42 VanDerWaalsContact O-N 3.1Å; T39-Q42 PolarHBondContact O-N 2.87Å; T39-Q42 VanDerWaalsContact O-N 3.08Å; I40-Q42 PolarHBondContact O-N 2.92Å; Q42-P44 VanDerWaalsContact C-N 3.31Å; Q42-S45 PolarHBondContact O-N 3.24Å; Q42-S45 VanDerWaalsContact O-N 3.11Å; Q42-S45 PolarHBondContact O-OG 3.45Å; Q42-V46 PolarHBondContact O-N 3.01Å |
| 43 | F | 85.9 | Confident | 83 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -29.9 | -174.8 | 88.3 | -101.1 | 0 | 0 | 0 | 114.9 | L24 F28 T39 I40 S45 V46 L47 I59 I63 A81 C85 | L24-F43 HydrophobicContact CD1-CB 4.2Å; L24-F43 HydrophobicContact CD2-CB 4.28Å; F28-F43 HydrophobicContact CZ-CB 4.34Å; T39-F43 PolarHBondContact O-N 3.36Å; I40-F43 HydrophobicContact CG2-CE1 4.23Å; I40-F43 WeakPolarHBondContact O-CD1 3.11Å; I40-F43 VanDerWaalsContact O-CE1 3.31Å; I40-F43 WeakPolarHBondContact O-CE1 3.13Å; F43-S45 VanDerWaalsContact C-N 3.29Å; F43-S45 PolarHBondContact O-N 2.89Å; F43-V46 CarbonylContact O-C 3.52Å; F43-V46 WeakPolarHBondContact O-CA 3.15Å; F43-V46 WeakPolarHBondContact O-CB 3.37Å; F43-V46 PolarHBondContact O-N 2.78Å; F43-L47 HydrophobicContact CD2-CD1 3.8Å; F43-L47 HydrophobicContact CD2-CG 4.08Å; F43-L47 HydrophobicContact CE2-CD1 3.9Å; F43-L47 PolarHBondContact O-N 2.69Å; F43-I59 HydrophobicContact CB-CG2 4.07Å; F43-I59 HydrophobicContact CD2-CG2 3.81Å; F43-I59 HydrophobicContact CG-CG2 3.97Å; F43-I63 HydrophobicContact CD1-CD1 3.68Å; F43-I63 HydrophobicContact CD1-CG1 4.2Å; F43-I63 HydrophobicContact CE1-CD1 3.64Å; F43-I63 HydrophobicContact CE1-CG1 4.06Å; F43-I63 HydrophobicContact CZ-CD1 4.46Å; F43-I63 HydrophobicContact CZ-CG1 4.41Å; F43-A81 HydrophobicContact CD1-CB 4.29Å; F43-A81 HydrophobicContact CE1-CB 3.35Å; F43-A81 HydrophobicContact CZ-CB 3.58Å; F43-C85 HydrophobicContact CE2-CB 4.47Å; F43-C85 VanDerWaalsContact CE2-SG 3.53Å |
| 44 | P | 86.7 | Confident | 82.6 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.6 | -44.3 | 173.6 | -28.2 | 36.4 | 0 | 0 | 0 | 113 | I40 Q42 V46 L47 E48 A81 E84 C85 | I40-P44 WeakPolarHBondContact O-CD 2.93Å; Q42-P44 VanDerWaalsContact C-N 3.31Å; P44-V46 VanDerWaalsContact C-N 3.27Å; P44-V46 PolarHBondContact O-N 3.05Å; P44-L47 PolarHBondContact O-N 2.84Å; P44-E48 WeakPolarHBondContact O-CB 2.95Å; P44-E48 PolarHBondContact O-N 3.4Å; P44-A81 HydrophobicContact CG-CB 3.86Å; P44-E84 HydrophobicContact CB-CB 4.34Å; P44-C85 WeakPolarHBondContact CA-SG 3.21Å; P44-C85 WeakPolarHBondContact CB-SG 3.3Å; P44-C85 VanDerWaalsContact CG-SG 3.6Å |
| 45 | S | 79.7 | Confident | 82.2 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.6 | -31.4 | 175.3 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | Q42 F43 K49 | Q42-S45 PolarHBondContact O-N 3.24Å; Q42-S45 VanDerWaalsContact O-N 3.11Å; Q42-S45 PolarHBondContact O-OG 3.45Å; F43-S45 VanDerWaalsContact C-N 3.29Å; F43-S45 PolarHBondContact O-N 2.89Å; S45-K49 WeakPolarHBondContact O-CB 3.34Å; S45-K49 PolarHBondContact O-N 3.28Å |
| 46 | V | 81.1 | Confident | 82 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.9 | -40 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | L24 Q42 F43 P44 K49 Y50 I59 | L24-V46 HydrophobicContact CD1-CB 4.1Å; L24-V46 HydrophobicContact CD1-CG1 3.95Å; L24-V46 HydrophobicContact CD1-CG2 4Å; Q42-V46 PolarHBondContact O-N 3.01Å; F43-V46 CarbonylContact O-C 3.52Å; F43-V46 WeakPolarHBondContact O-CA 3.15Å; F43-V46 WeakPolarHBondContact O-CB 3.37Å; F43-V46 PolarHBondContact O-N 2.78Å; P44-V46 VanDerWaalsContact C-N 3.27Å; P44-V46 PolarHBondContact O-N 3.05Å; V46-K49 CarbonylContact O-C 3.39Å; V46-K49 PolarHBondContact O-N 3.47Å; V46-Y50 HydrophobicContact CG1-CD2 4.12Å; V46-Y50 PolarHBondContact O-N 2.78Å; V46-I59 HydrophobicContact CG1-CD1 4.25Å |
| 47 | L | 82.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 173.9 | -66.6 | -173 | 0 | 0 | 0 | 111.9 | F43 P44 K49 Y50 P51 V55 I56 I59 L60 C85 | F43-L47 HydrophobicContact CD2-CD1 3.8Å; F43-L47 HydrophobicContact CD2-CG 4.08Å; F43-L47 HydrophobicContact CE2-CD1 3.9Å; F43-L47 PolarHBondContact O-N 2.69Å; P44-L47 PolarHBondContact O-N 2.84Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.32Å; L47-Y50 CarbonylContact O-C 3.59Å; L47-Y50 VanDerWaalsContact O-C 3.3Å; L47-Y50 PolarHBondContact O-N 3.31Å; L47-P51 VanDerWaalsContact O-CA 3.23Å; L47-P51 WeakPolarHBondContact O-CA 3.25Å; L47-P51 VanDerWaalsContact O-CB 3.31Å; L47-P51 WeakPolarHBondContact O-CB 3.35Å; L47-P51 WeakPolarHBondContact O-CD 3.41Å; L47-V55 HydrophobicContact CD2-CG1 4.31Å; L47-I56 HydrophobicContact CD2-CB 4.38Å; L47-I56 HydrophobicContact CD2-CG1 3.8Å; L47-I59 HydrophobicContact CD2-CB 4.5Å; L47-I59 HydrophobicContact CD2-CD1 3.7Å; L47-I59 HydrophobicContact CG-CD1 4.46Å; L47-L60 HydrophobicContact CD1-CD2 4.03Å; L47-C85 HydrophobicContact CD1-CB 4.17Å |
| 48 | E | 77.9 | Confident | 81.8 | Confident | 89 Ų | 89 | 38 Ų | 38 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 173.2 | -167 | -174.2 | 169.9 | 0 | 0 | 111.2 | P44 Q968 R970 | P44-E48 WeakPolarHBondContact O-CB 2.95Å; P44-E48 PolarHBondContact O-N 3.4Å; E48-Q968 PolarHBondContact O-NE2 2.89Å; E48-Q968 VanDerWaalsContact O-NE2 3.08Å; E48-R970 IonicContact OE1-CZ 2.68Å; E48-R970 IonicContact OE1-NH1 2.79Å; E48-R970 IonicContact OE1-NH2 3Å; E48-R970 PolarHBondContact OE1-NH2 3.17Å |
| 49 | K | 69.1 | Low | 81.8 | Confident | 73 Ų | 73 | 31.8 Ų | 31.8 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -75.7 | -30.4 | 176.6 | -165.8 | 179.2 | 174.8 | -155.7 | 0 | 112.5 | D16 S45 V46 L47 R936 | D16-K49 IonicContact OD2-NZ 2.91Å; D16-K49 PolarHBondContact OD2-NZ 3.4Å; S45-K49 WeakPolarHBondContact O-CB 3.34Å; S45-K49 PolarHBondContact O-N 3.28Å; V46-K49 CarbonylContact O-C 3.39Å; V46-K49 PolarHBondContact O-N 3.47Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.32Å; K49-R936 PolarHBondContact O-NH1 3Å |
| 50 | Y | 75.3 | Confident | 81.8 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | trans | -137.7 | 70.8 | -177.7 | -56.5 | -81 | 0 | 0 | 0 | 111.8 | L13 D16 A17 L20 V46 L47 F52 | L13-Y50 HydrophobicContact CD2-CE1 4.25Å; L13-Y50 HydrophobicContact CG-CE1 4.36Å; L13-Y50 WeakPolarHBondContact O-CE1 3.4Å; L13-Y50 PolarHBondContact O-OH 3.41Å; L13-Y50 VanDerWaalsContact O-OH 3.04Å; D16-Y50 WeakPolarHBondContact CB-OH 3.48Å; A17-Y50 HydrophobicContact CB-CD1 3.74Å; A17-Y50 HydrophobicContact CB-CD2 4.36Å; A17-Y50 HydrophobicContact CB-CE1 3.7Å; A17-Y50 HydrophobicContact CB-CE2 4.33Å; A17-Y50 HydrophobicContact CB-CG 4.07Å; L20-Y50 HydrophobicContact CD1-CD2 4.5Å; L20-Y50 HydrophobicContact CD1-CE2 3.59Å; V46-Y50 HydrophobicContact CG1-CD2 4.12Å; V46-Y50 PolarHBondContact O-N 2.78Å; L47-Y50 CarbonylContact O-C 3.59Å; L47-Y50 VanDerWaalsContact O-C 3.3Å; L47-Y50 PolarHBondContact O-N 3.31Å; Y50-F52 HydrophobicContact CD1-CE2 4.43Å; Y50-F52 PolarHBondContact O-N 2.99Å | ||
| 51 | P | 75.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | trans | -81 | 43 | -173.1 | 36.8 | -41.8 | 0 | 0 | 0 | 112.6 | L47 K91 V966 | L47-P51 VanDerWaalsContact O-CA 3.23Å; L47-P51 WeakPolarHBondContact O-CA 3.25Å; L47-P51 VanDerWaalsContact O-CB 3.31Å; L47-P51 WeakPolarHBondContact O-CB 3.35Å; L47-P51 WeakPolarHBondContact O-CD 3.41Å; P51-K91 WeakPolarHBondContact O-CD 3.32Å; P51-K91 PolarHBondContact O-NZ 3.32Å; P51-V966 HydrophobicContact CG-CB 4.41Å; P51-V966 HydrophobicContact CG-CG1 3.87Å; P51-V966 HydrophobicContact CG-CG2 4.35Å | ||
| 52 | F | 76 | Confident | 81.8 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | trans | -89.8 | 138.2 | 179.3 | -62.3 | -72.8 | 0 | 0 | 0 | 110.4 | Y50 V54 V55 I56 V938 V966 | Y50-F52 HydrophobicContact CD1-CE2 4.43Å; Y50-F52 PolarHBondContact O-N 2.99Å; F52-V54 PolarHBondContact O-N 3.38Å; F52-V54 VanDerWaalsContact O-N 3.15Å; F52-V55 HydrophobicContact CB-CG2 4.21Å; F52-V55 PolarHBondContact O-N 3.44Å; F52-I56 WeakPolarHBondContact O-CG1 3.18Å; F52-I56 PolarHBondContact O-N 3.5Å; F52-V938 HydrophobicContact CE1-CG2 3.86Å; F52-V938 HydrophobicContact CZ-CG2 3.83Å; F52-V966 HydrophobicContact CD1-CG2 3.96Å; F52-V966 HydrophobicContact CE1-CG2 3.9Å | ||
| 53 | P | 79.3 | Confident | 82.1 | Confident | 21 Ų | 21 | 29.3 Ų | 29.3 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50.5 | -41.9 | -179.5 | -28.3 | 33.7 | 0 | 0 | 0 | 113.6 | V55 I56 N57 K91 Y1023 | P53-V55 PolarHBondContact O-N 2.95Å; P53-I56 PolarHBondContact O-N 2.92Å; P53-N57 VanDerWaalsContact O-CB 3.23Å; P53-N57 WeakPolarHBondContact O-CB 3.45Å; P53-N57 PolarHBondContact O-N 3.06Å; P53-N57 PolarHBondContact O-ND2 2.66Å; P53-N57 VanDerWaalsContact O-ND2 3.1Å; P53-K91 HydrophobicContact CG-CB 4.36Å; P53-Y1023 HydrophobicContact CG-CD2 4.4Å; P53-Y1023 HydrophobicContact CG-CE2 4.28Å |
| 54 | V | 77 | Confident | 82.4 | Confident | 99 Ų | 99 | 29.6 Ų | 29.6 | 60% | 0.6 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -59.3 | -43.8 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | F52 S58 | F52-V54 PolarHBondContact O-N 3.38Å; F52-V54 VanDerWaalsContact O-N 3.15Å; V54-S58 WeakPolarHBondContact O-CB 3.38Å; V54-S58 PolarHBondContact O-N 3.28Å; V54-S58 VanDerWaalsContact O-N 3.1Å; V54-S58 PolarHBondContact O-OG 2.89Å |
| 55 | V | 79.7 | Confident | 82.6 | Confident | 14 Ų | 14 | 31.7 Ų | 31.7 | 9% | 0.085 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -45.6 | 179.4 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | I21 L47 F52 P53 S58 I59 | I21-V55 HydrophobicContact CD1-CB 4.37Å; I21-V55 HydrophobicContact CD1-CG1 3.93Å; I21-V55 HydrophobicContact CD1-CG2 3.95Å; I21-V55 HydrophobicContact CG1-CG1 4.27Å; L47-V55 HydrophobicContact CD2-CG1 4.31Å; F52-V55 HydrophobicContact CB-CG2 4.21Å; F52-V55 PolarHBondContact O-N 3.44Å; P53-V55 PolarHBondContact O-N 2.95Å; V55-S58 PolarHBondContact O-N 3.07Å; V55-I59 HydrophobicContact CG1-CD1 3.75Å; V55-I59 HydrophobicContact CG1-CG1 4.49Å; V55-I59 WeakPolarHBondContact O-CG1 3.4Å; V55-I59 PolarHBondContact O-N 2.77Å |
| 56 | I | 84 | Confident | 83.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 177.9 | -64.1 | 163.8 | 0 | 0 | 0 | 109.8 | L47 F52 P53 S58 I59 L60 H88 K91 L92 | L47-I56 HydrophobicContact CD2-CB 4.38Å; L47-I56 HydrophobicContact CD2-CG1 3.8Å; F52-I56 WeakPolarHBondContact O-CG1 3.18Å; F52-I56 PolarHBondContact O-N 3.5Å; P53-I56 PolarHBondContact O-N 2.92Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.14Å; I56-I59 PolarHBondContact O-N 2.94Å; I56-L60 HydrophobicContact CG2-CD2 4.12Å; I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 WeakPolarHBondContact O-CD2 3.49Å; I56-L60 PolarHBondContact O-N 2.61Å; I56-H88 HydrophobicContact CD1-CB 4.23Å; I56-K91 HydrophobicContact CD1-CB 3.91Å; I56-K91 HydrophobicContact CD1-CD 3.81Å; I56-K91 HydrophobicContact CD1-CG 4.38Å; I56-L92 HydrophobicContact CG2-CD1 3.8Å |
| 57 | N | 86.5 | Confident | 83.8 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.8 | -48.3 | 178.3 | -71 | -26.2 | 0 | 0 | 0 | 111.6 | P53 L60 L61 L92 T93 V94 | P53-N57 VanDerWaalsContact O-CB 3.23Å; P53-N57 WeakPolarHBondContact O-CB 3.45Å; P53-N57 PolarHBondContact O-N 3.06Å; P53-N57 PolarHBondContact O-ND2 2.66Å; P53-N57 VanDerWaalsContact O-ND2 3.1Å; N57-L60 PolarHBondContact O-N 3.14Å; N57-L61 WeakPolarHBondContact O-CB 3.21Å; N57-L61 VanDerWaalsContact O-CG 3.25Å; N57-L61 WeakPolarHBondContact O-CG 3.46Å; N57-L61 PolarHBondContact O-N 3.4Å; N57-L92 VanDerWaalsContact OD1-CD1 3.28Å; N57-L92 WeakPolarHBondContact OD1-CD1 3.39Å; N57-T93 PolarHBondContact ND2-OG1 2.86Å; N57-T93 PolarHBondContact OD1-N 3.38Å; N57-V94 HydrophobicContact CB-CG2 3.82Å; N57-V94 PolarHBondContact OD1-N 2.95Å |
| 58 | S | 84.6 | Confident | 84.3 | Confident | 57 Ų | 57 | 29.4 Ų | 29.4 | 40% | 0.399 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.8 | -47.1 | -178.6 | -60 | 0 | 0 | 0 | 0 | 112.1 | V54 V55 I56 K62 | V54-S58 WeakPolarHBondContact O-CB 3.38Å; V54-S58 PolarHBondContact O-N 3.28Å; V54-S58 VanDerWaalsContact O-N 3.1Å; V54-S58 PolarHBondContact O-OG 2.89Å; V55-S58 PolarHBondContact O-N 3.07Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.14Å; S58-K62 PolarHBondContact O-N 3.32Å |
| 59 | I | 87.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 179.2 | -69.1 | 172.5 | 0 | 0 | 0 | 110.4 | L24 F43 V46 L47 V55 I56 K62 I63 | L24-I59 HydrophobicContact CD1-CD1 3.8Å; L24-I59 HydrophobicContact CD1-CG1 4.32Å; F43-I59 HydrophobicContact CB-CG2 4.07Å; F43-I59 HydrophobicContact CD2-CG2 3.81Å; F43-I59 HydrophobicContact CG-CG2 3.97Å; V46-I59 HydrophobicContact CG1-CD1 4.25Å; L47-I59 HydrophobicContact CD2-CB 4.5Å; L47-I59 HydrophobicContact CD2-CD1 3.7Å; L47-I59 HydrophobicContact CG-CD1 4.46Å; V55-I59 HydrophobicContact CG1-CD1 3.75Å; V55-I59 HydrophobicContact CG1-CG1 4.49Å; V55-I59 WeakPolarHBondContact O-CG1 3.4Å; V55-I59 PolarHBondContact O-N 2.77Å; I56-I59 PolarHBondContact O-N 2.94Å; I59-K62 PolarHBondContact O-N 2.81Å; I59-K62 VanDerWaalsContact O-N 3.14Å; I59-I63 HydrophobicContact CG2-CG1 4.01Å; I59-I63 WeakPolarHBondContact O-CB 3.27Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.41Å; I59-I63 PolarHBondContact O-N 3.16Å |
| 60 | L | 88.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.1 | -37.3 | -176.1 | -89.9 | -68.1 | 0 | 0 | 0 | 112.6 | L47 I56 N57 K62 I63 T64 F89 L92 I98 | L47-L60 HydrophobicContact CD1-CD2 4.03Å; I56-L60 HydrophobicContact CG2-CD2 4.12Å; I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 WeakPolarHBondContact O-CD2 3.49Å; I56-L60 PolarHBondContact O-N 2.61Å; N57-L60 PolarHBondContact O-N 3.14Å; L60-K62 VanDerWaalsContact C-N 3.25Å; L60-K62 PolarHBondContact O-N 2.87Å; L60-I63 PolarHBondContact O-N 3.36Å; L60-T64 VanDerWaalsContact O-CB 3.3Å; L60-T64 WeakPolarHBondContact O-CB 3.28Å; L60-T64 PolarHBondContact O-N 3.34Å; L60-T64 PolarHBondContact O-OG1 3.31Å; L60-F89 HydrophobicContact CD1-CD1 4.47Å; L60-F89 HydrophobicContact CD1-CE1 3.78Å; L60-F89 HydrophobicContact CD1-CZ 4.17Å; L60-F89 HydrophobicContact CD2-CE1 3.92Å; L60-F89 HydrophobicContact CG-CD1 4.4Å; L60-F89 HydrophobicContact CG-CE1 3.98Å; L60-L92 HydrophobicContact CB-CD1 3.87Å; L60-L92 HydrophobicContact CG-CD1 4.13Å; L60-I98 HydrophobicContact CB-CD1 3.94Å |
| 61 | L | 89.4 | Confident | 86.4 | Confident | 52 Ų | 52 | 31.3 Ų | 31.3 | 27% | 0.272 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 171.3 | -77.2 | 169.2 | 0 | 0 | 0 | 111.6 | N57 Q65 V94 D97 I98 | N57-L61 WeakPolarHBondContact O-CB 3.21Å; N57-L61 VanDerWaalsContact O-CG 3.25Å; N57-L61 WeakPolarHBondContact O-CG 3.46Å; N57-L61 PolarHBondContact O-N 3.4Å; L61-Q65 PolarHBondContact O-N 2.99Å; L61-V94 HydrophobicContact CD1-CB 4.39Å; L61-V94 HydrophobicContact CD1-CG1 4.08Å; L61-V94 HydrophobicContact CD1-CG2 4.4Å; L61-V94 HydrophobicContact CD2-CB 4.46Å; L61-V94 HydrophobicContact CD2-CG1 3.83Å; L61-V94 HydrophobicContact CG-CB 4.49Å; L61-V94 HydrophobicContact CG-CG1 4.27Å; L61-D97 HydrophobicContact CD2-CB 4.2Å; L61-I98 HydrophobicContact CD2-CD1 4.46Å; L61-I98 HydrophobicContact CD2-CG1 3.97Å |
| 62 | K | 87.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 33.3 Ų | 33.3 | 24% | 0.235 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.9 | -43.3 | 179 | -170.8 | 57 | 176.8 | 169.9 | 0 | 112.4 | F28 S58 I59 L60 T64 Q65 I66 | F28-K62 HydrophobicContact CB-CG 4.36Å; F28-K62 HydrophobicContact CD2-CG 3.72Å; F28-K62 HydrophobicContact CE2-CG 4.41Å; F28-K62 HydrophobicContact CG-CG 4.32Å; S58-K62 PolarHBondContact O-N 3.32Å; I59-K62 PolarHBondContact O-N 2.81Å; I59-K62 VanDerWaalsContact O-N 3.14Å; L60-K62 VanDerWaalsContact C-N 3.25Å; L60-K62 PolarHBondContact O-N 2.87Å; K62-T64 VanDerWaalsContact C-N 3.28Å; K62-T64 PolarHBondContact O-N 3.04Å; K62-Q65 WeakPolarHBondContact O-CB 3.38Å; K62-Q65 PolarHBondContact O-N 3.08Å; K62-Q65 VanDerWaalsContact O-N 3.11Å; K62-I66 WeakPolarHBondContact O-CG1 3.44Å; K62-I66 PolarHBondContact O-N 3.45Å |
| 63 | I | 90.6 | Very high | 88 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 174.5 | -72.1 | -66.9 | 0 | 0 | 0 | 110.7 | F28 I40 F43 I59 L60 Q65 I66 F67 I78 | F28-I63 HydrophobicContact CD1-CD1 4.43Å; F28-I63 HydrophobicContact CE1-CD1 3.58Å; F28-I63 HydrophobicContact CE2-CD1 4.37Å; F28-I63 HydrophobicContact CZ-CD1 3.55Å; F28-I63 HydrophobicContact CZ-CG1 4.24Å; I40-I63 HydrophobicContact CG1-CD1 4.29Å; F43-I63 HydrophobicContact CD1-CD1 3.68Å; F43-I63 HydrophobicContact CD1-CG1 4.2Å; F43-I63 HydrophobicContact CE1-CD1 3.64Å; F43-I63 HydrophobicContact CE1-CG1 4.06Å; F43-I63 HydrophobicContact CZ-CD1 4.46Å; F43-I63 HydrophobicContact CZ-CG1 4.41Å; I59-I63 HydrophobicContact CG2-CG1 4.01Å; I59-I63 WeakPolarHBondContact O-CB 3.27Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.41Å; I59-I63 PolarHBondContact O-N 3.16Å; L60-I63 PolarHBondContact O-N 3.36Å; I63-Q65 VanDerWaalsContact C-N 3.29Å; I63-Q65 PolarHBondContact O-N 3.09Å; I63-I66 HydrophobicContact CD1-CD1 4.37Å; I63-I66 PolarHBondContact O-N 3.24Å; I63-I66 VanDerWaalsContact O-N 3.15Å; I63-F67 PolarHBondContact O-N 2.67Å; I63-I78 HydrophobicContact CG2-CB 4.34Å; I63-I78 HydrophobicContact CG2-CD1 4.25Å; I63-I78 HydrophobicContact CG2-CG1 4.1Å; I63-I78 HydrophobicContact CG2-CG2 3.39Å |
| 64 | T | 92.5 | Very high | 88.6 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 175.1 | -58.5 | 0 | 0 | 0 | 0 | 111 | L60 K62 I66 F67 C68 I98 K101 L102 | L60-T64 VanDerWaalsContact O-CB 3.3Å; L60-T64 WeakPolarHBondContact O-CB 3.28Å; L60-T64 PolarHBondContact O-N 3.34Å; L60-T64 PolarHBondContact O-OG1 3.31Å; K62-T64 VanDerWaalsContact C-N 3.28Å; K62-T64 PolarHBondContact O-N 3.04Å; T64-I66 PolarHBondContact O-N 3.45Å; T64-F67 WeakPolarHBondContact O-CB 3.42Å; T64-F67 PolarHBondContact O-N 3.1Å; T64-C68 PolarHBondContact O-N 3.08Å; T64-C68 PolarHBondContact O-SG 3.35Å; T64-I98 HydrophobicContact CG2-CG2 4.11Å; T64-I98 WeakPolarHBondContact OG1-CG2 3.43Å; T64-K101 HydrophobicContact CG2-CB 3.86Å; T64-K101 HydrophobicContact CG2-CD 4.15Å; T64-L102 HydrophobicContact CG2-CD1 4.35Å; T64-L102 HydrophobicContact CG2-CD2 3.9Å; T64-L102 HydrophobicContact CG2-CG 3.82Å |
| 65 | Q | 90.7 | Very high | 89.5 | Confident | 57 Ų | 57 | 33.8 Ų | 33.8 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.4 | -168.8 | 61.9 | 44.1 | 0 | 0 | 112.4 | L61 K62 I63 F67 C68 D69 | L61-Q65 PolarHBondContact O-N 2.99Å; K62-Q65 WeakPolarHBondContact O-CB 3.38Å; K62-Q65 PolarHBondContact O-N 3.08Å; K62-Q65 VanDerWaalsContact O-N 3.11Å; I63-Q65 VanDerWaalsContact C-N 3.29Å; I63-Q65 PolarHBondContact O-N 3.09Å; Q65-F67 VanDerWaalsContact C-N 3.3Å; Q65-F67 PolarHBondContact O-N 3.04Å; Q65-C68 WeakPolarHBondContact O-CB 3.26Å; Q65-C68 PolarHBondContact O-N 3.14Å; Q65-D69 WeakPolarHBondContact CG-OD2 3.22Å; Q65-D69 PolarHBondContact NE2-OD1 2.8Å; Q65-D69 PolarHBondContact NE2-OD2 3.09Å; Q65-D69 PolarHBondContact O-N 3.04Å |
| 66 | I | 90.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.3 | -34.8 | 177.4 | -58.2 | 165.1 | 0 | 0 | 0 | 111.1 | F28 I40 K62 I63 T64 C68 G70 L74 I78 | F28-I66 HydrophobicContact CB-CD1 3.54Å; F28-I66 HydrophobicContact CB-CG1 4.49Å; F28-I66 HydrophobicContact CD1-CD1 3.3Å; F28-I66 HydrophobicContact CD2-CD1 4.25Å; F28-I66 HydrophobicContact CE1-CD1 4.04Å; F28-I66 HydrophobicContact CG-CD1 3.44Å; F28-I66 VanDerWaalsContact CG-CD1 3.44Å; I40-I66 HydrophobicContact CD1-CG2 4.42Å; K62-I66 WeakPolarHBondContact O-CG1 3.44Å; K62-I66 PolarHBondContact O-N 3.45Å; I63-I66 HydrophobicContact CD1-CD1 4.37Å; I63-I66 PolarHBondContact O-N 3.24Å; I63-I66 VanDerWaalsContact O-N 3.15Å; T64-I66 PolarHBondContact O-N 3.45Å; I66-C68 VanDerWaalsContact C-N 3.29Å; I66-C68 PolarHBondContact O-N 2.74Å; I66-G70 VanDerWaalsContact O-CA 3.28Å; I66-G70 WeakPolarHBondContact O-CA 3.21Å; I66-G70 PolarHBondContact O-N 3.25Å; I66-L74 HydrophobicContact CG2-CD1 4.45Å; I66-I78 HydrophobicContact CB-CD1 4.09Å; I66-I78 HydrophobicContact CG2-CD1 3.99Å |
| 67 | F | 94.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 174 | -173 | -83.5 | 0 | 0 | 0 | 111.3 | I63 T64 Q65 R75 I78 L102 L116 L120 | I63-F67 PolarHBondContact O-N 2.67Å; T64-F67 WeakPolarHBondContact O-CB 3.42Å; T64-F67 PolarHBondContact O-N 3.1Å; Q65-F67 VanDerWaalsContact C-N 3.3Å; Q65-F67 PolarHBondContact O-N 3.04Å; F67-R75 HydrophobicContact CD1-CG 4.37Å; F67-R75 HydrophobicContact CD2-CB 3.89Å; F67-R75 HydrophobicContact CD2-CG 3.72Å; F67-R75 HydrophobicContact CE1-CG 4.31Å; F67-R75 HydrophobicContact CE2-CB 3.57Å; F67-R75 HydrophobicContact CE2-CG 3.66Å; F67-R75 HydrophobicContact CG-CG 4.09Å; F67-R75 HydrophobicContact CZ-CB 4.17Å; F67-R75 HydrophobicContact CZ-CG 3.97Å; F67-R75 PolarHBondContact O-NE 3.24Å; F67-R75 PolarHBondContact O-NH2 3.19Å; F67-I78 HydrophobicContact CB-CD1 3.83Å; F67-I78 HydrophobicContact CD2-CB 4.41Å; F67-I78 HydrophobicContact CD2-CD1 4.31Å; F67-I78 HydrophobicContact CD2-CG2 4.17Å; F67-L102 HydrophobicContact CB-CD2 4.36Å; F67-L102 HydrophobicContact CD1-CD2 3.4Å; F67-L102 VanDerWaalsContact CD1-CD2 3.4Å; F67-L102 HydrophobicContact CE1-CD2 3.9Å; F67-L102 HydrophobicContact CG-CD2 4.02Å; F67-L116 HydrophobicContact CZ-CB 4.34Å; F67-L120 HydrophobicContact CD1-CD2 4.38Å; F67-L120 HydrophobicContact CD2-CD2 3.77Å; F67-L120 HydrophobicContact CE1-CD2 4.38Å; F67-L120 HydrophobicContact CE2-CD2 3.76Å; F67-L120 HydrophobicContact CG-CD2 4.09Å; F67-L120 HydrophobicContact CZ-CD2 4.08Å |
| 68 | C | 93.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 13% | 0.128 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -51.1 | 177.1 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | T64 Q65 I66 R75 F105 | T64-C68 PolarHBondContact O-N 3.08Å; T64-C68 PolarHBondContact O-SG 3.35Å; Q65-C68 WeakPolarHBondContact O-CB 3.26Å; Q65-C68 PolarHBondContact O-N 3.14Å; I66-C68 VanDerWaalsContact C-N 3.29Å; I66-C68 PolarHBondContact O-N 2.74Å; C68-R75 PolarHBondContact O-NH2 3.25Å; C68-F105 HydrophobicContact CB-CE2 3.72Å; C68-F105 HydrophobicContact CB-CZ 3.63Å; C68-F105 WeakPolarHBondContact O-CE1 3.48Å; C68-F105 WeakPolarHBondContact O-CZ 3.29Å; C68-F105 VanDerWaalsContact SG-CE2 3.55Å |
| 69 | D | 89.1 | Confident | 91.3 | Very high | 119 Ų | 119 | 34.1 Ų | 34.1 | 64% | 0.636 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -81.9 | -17.7 | -172.2 | -57.1 | -25.4 | 0 | 0 | 0 | 113.5 | Q65 | Q65-D69 WeakPolarHBondContact CG-OD2 3.22Å; Q65-D69 PolarHBondContact NE2-OD1 2.8Å; Q65-D69 PolarHBondContact NE2-OD2 3.09Å; Q65-D69 PolarHBondContact O-N 3.04Å |
| 70 | G | 87.1 | Confident | 91.5 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -81.4 | 177.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I66 R75 | I66-G70 VanDerWaalsContact O-CA 3.28Å; I66-G70 WeakPolarHBondContact O-CA 3.21Å; I66-G70 PolarHBondContact O-N 3.25Å; G70-R75 PolarHBondContact O-NH1 3.04Å; G70-R75 PolarHBondContact O-NH2 2.69Å |
| 71 | N | 90.9 | Very high | 91.6 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | trans | -91.2 | 173.5 | 169.5 | 64.8 | 23.6 | 0 | 0 | 0 | 111.3 | Y73 L74 R75 | N71-Y73 PolarHBondContact O-N 2.88Å; N71-Y73 WeakPolarHBondContact OD1-CB 3.47Å; N71-Y73 PolarHBondContact OD1-N 3.35Å; N71-L74 PolarHBondContact O-N 2.71Å; N71-L74 VanDerWaalsContact O-N 3.14Å; N71-L74 WeakPolarHBondContact OD1-CG 3.4Å; N71-L74 PolarHBondContact OD1-N 3.11Å; N71-R75 WeakPolarHBondContact O-CG 3.4Å; N71-R75 PolarHBondContact O-N 3.12Å | ||
| 72 | N | 92.7 | Very high | 91.7 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -27.1 | -178.2 | -67.7 | -13.4 | 0 | 0 | 0 | 113.6 | R75 L76 D110 T112 V113 L116 | N72-R75 PolarHBondContact OD1-NH1 3.39Å; N72-L76 WeakPolarHBondContact O-CB 3.26Å; N72-L76 PolarHBondContact O-N 2.66Å; N72-D110 PolarHBondContact ND2-OD2 2.68Å; N72-T112 HydrophobicContact CB-CG2 4.37Å; N72-V113 WeakPolarHBondContact OD1-CG2 3.48Å; N72-L116 HydrophobicContact CB-CD1 4.29Å |
| 73 | Y | 92.5 | Very high | 91.8 | Very high | 137 Ų | 137 | 39.6 Ų | 39.6 | 54% | 0.537 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.6 | -47 | 174.4 | -176.1 | -104.2 | 0 | 0 | 0 | 111.6 | L33 C37 N71 R75 L76 C77 | L33-Y73 HydrophobicContact CD2-CD1 4.37Å; C37-Y73 WeakPolarHBondContact SG-CE1 3.46Å; N71-Y73 PolarHBondContact O-N 2.88Å; N71-Y73 WeakPolarHBondContact OD1-CB 3.47Å; N71-Y73 PolarHBondContact OD1-N 3.35Å; Y73-R75 PolarHBondContact O-N 3.17Å; Y73-L76 PolarHBondContact O-N 2.84Å; Y73-C77 PolarHBondContact O-N 3.36Å; Y73-C77 PolarHBondContact O-SG 3.32Å; Y73-C77 VanDerWaalsContact O-SG 3.33Å |
| 74 | L | 91.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 174.5 | -72 | 174.4 | 0 | 0 | 0 | 111.9 | L33 Q36 I40 I66 N71 L76 C77 I78 | L33-L74 HydrophobicContact CD1-CD1 3.76Å; L33-L74 HydrophobicContact CD1-CD2 3.68Å; L33-L74 HydrophobicContact CD1-CG 3.6Å; Q36-L74 HydrophobicContact CB-CD2 4.08Å; I40-L74 HydrophobicContact CD1-CD2 3.74Å; I66-L74 HydrophobicContact CG2-CD1 4.45Å; N71-L74 PolarHBondContact O-N 2.71Å; N71-L74 VanDerWaalsContact O-N 3.14Å; N71-L74 WeakPolarHBondContact OD1-CG 3.4Å; N71-L74 PolarHBondContact OD1-N 3.11Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.27Å; L74-C77 WeakPolarHBondContact O-CB 3.42Å; L74-C77 PolarHBondContact O-N 2.84Å; L74-C77 VanDerWaalsContact O-N 3.17Å; L74-I78 WeakPolarHBondContact O-CG1 3.34Å; L74-I78 PolarHBondContact O-N 2.99Å |
| 75 | R | 95.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 46 Ų | 46 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 175.6 | -69.4 | -177.5 | -176.4 | 96.7 | 13.7 | 111.9 | F67 C68 G70 N71 N72 Y73 I78 L79 L116 | F67-R75 HydrophobicContact CD1-CG 4.37Å; F67-R75 HydrophobicContact CD2-CB 3.89Å; F67-R75 HydrophobicContact CD2-CG 3.72Å; F67-R75 HydrophobicContact CE1-CG 4.31Å; F67-R75 HydrophobicContact CE2-CB 3.57Å; F67-R75 HydrophobicContact CE2-CG 3.66Å; F67-R75 HydrophobicContact CG-CG 4.09Å; F67-R75 HydrophobicContact CZ-CB 4.17Å; F67-R75 HydrophobicContact CZ-CG 3.97Å; F67-R75 PolarHBondContact O-NE 3.24Å; F67-R75 PolarHBondContact O-NH2 3.19Å; C68-R75 PolarHBondContact O-NH2 3.25Å; G70-R75 PolarHBondContact O-NH1 3.04Å; G70-R75 PolarHBondContact O-NH2 2.69Å; N71-R75 WeakPolarHBondContact O-CG 3.4Å; N71-R75 PolarHBondContact O-N 3.12Å; N72-R75 PolarHBondContact OD1-NH1 3.39Å; Y73-R75 PolarHBondContact O-N 3.17Å; R75-I78 PolarHBondContact O-N 3.21Å; R75-L79 WeakPolarHBondContact O-CB 3.49Å; R75-L79 PolarHBondContact O-N 3.38Å; R75-L116 HydrophobicContact CB-CD1 3.71Å |
| 76 | L | 93 | Very high | 90.9 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 30% | 0.298 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.6 | -177.5 | 64.9 | 0 | 0 | 0 | 112.3 | N72 Y73 L74 I78 L79 R80 L116 | N72-L76 WeakPolarHBondContact O-CB 3.26Å; N72-L76 PolarHBondContact O-N 2.66Å; Y73-L76 PolarHBondContact O-N 2.84Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.27Å; L76-I78 VanDerWaalsContact C-N 3.35Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.05Å; L76-R80 WeakPolarHBondContact O-CG 3.45Å; L76-R80 PolarHBondContact O-N 3.4Å; L76-L116 HydrophobicContact CB-CD2 4.4Å; L76-L116 HydrophobicContact CD1-CD2 4.05Å |
| 77 | C | 92.1 | Very high | 90.4 | Very high | 22 Ų | 22 | 52 Ų | 52 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.1 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | I40 Y73 L74 L79 R80 A81 | I40-C77 HydrophobicContact CD1-CB 4.5Å; I40-C77 HydrophobicContact CG2-CB 4Å; Y73-C77 PolarHBondContact O-N 3.36Å; Y73-C77 PolarHBondContact O-SG 3.32Å; Y73-C77 VanDerWaalsContact O-SG 3.33Å; L74-C77 WeakPolarHBondContact O-CB 3.42Å; L74-C77 PolarHBondContact O-N 2.84Å; L74-C77 VanDerWaalsContact O-N 3.17Å; C77-L79 VanDerWaalsContact C-N 3.32Å; C77-L79 PolarHBondContact O-N 3.46Å; C77-R80 PolarHBondContact O-N 3.09Å; C77-A81 WeakPolarHBondContact O-CB 3.43Å; C77-A81 PolarHBondContact O-N 2.67Å |
| 78 | I | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 175.3 | -71.1 | 168.2 | 0 | 0 | 0 | 110.1 | I40 I63 I66 F67 L74 R75 L76 R80 A81 C82 | I40-I78 HydrophobicContact CD1-CD1 4.47Å; I40-I78 HydrophobicContact CD1-CG1 3.95Å; I40-I78 HydrophobicContact CG1-CG1 4.3Å; I40-I78 HydrophobicContact CG2-CG1 4.12Å; I63-I78 HydrophobicContact CG2-CB 4.34Å; I63-I78 HydrophobicContact CG2-CD1 4.25Å; I63-I78 HydrophobicContact CG2-CG1 4.1Å; I63-I78 HydrophobicContact CG2-CG2 3.39Å; I66-I78 HydrophobicContact CB-CD1 4.09Å; I66-I78 HydrophobicContact CG2-CD1 3.99Å; F67-I78 HydrophobicContact CB-CD1 3.83Å; F67-I78 HydrophobicContact CD2-CB 4.41Å; F67-I78 HydrophobicContact CD2-CD1 4.31Å; F67-I78 HydrophobicContact CD2-CG2 4.17Å; L74-I78 WeakPolarHBondContact O-CG1 3.34Å; L74-I78 PolarHBondContact O-N 2.99Å; R75-I78 PolarHBondContact O-N 3.21Å; L76-I78 VanDerWaalsContact C-N 3.35Å; I78-R80 VanDerWaalsContact C-N 3.33Å; I78-R80 PolarHBondContact O-N 3.07Å; I78-A81 PolarHBondContact O-N 2.94Å; I78-C82 WeakPolarHBondContact O-CB 3.49Å; I78-C82 PolarHBondContact O-N 3.18Å; I78-C82 PolarHBondContact O-SG 3.48Å; I78-C82 VanDerWaalsContact O-SG 3.36Å |
| 79 | L | 93.4 | Very high | 89.2 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | -180 | -167 | 136.1 | 0 | 0 | 0 | 112.3 | R75 L76 C77 C82 T83 L116 R119 I123 | R75-L79 WeakPolarHBondContact O-CB 3.49Å; R75-L79 PolarHBondContact O-N 3.38Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.05Å; C77-L79 VanDerWaalsContact C-N 3.32Å; C77-L79 PolarHBondContact O-N 3.46Å; L79-C82 PolarHBondContact O-N 2.74Å; L79-T83 PolarHBondContact O-N 3.3Å; L79-T83 PolarHBondContact O-OG1 3.34Å; L79-L116 HydrophobicContact CD1-CD2 4.16Å; L79-L116 WeakPolarHBondContact CD1-O 3.49Å; L79-R119 HydrophobicContact CD1-CB 3.43Å; L79-R119 VanDerWaalsContact CD1-CB 3.43Å; L79-I123 HydrophobicContact CD1-CD1 4.23Å; L79-I123 HydrophobicContact CD2-CD1 3.87Å; L79-I123 HydrophobicContact CG-CD1 3.55Å; L79-I123 WeakPolarHBondContact O-CD1 3.46Å |
| 80 | R | 92 | Very high | 88.7 | Confident | 153 Ų | 153 | 54 Ų | 54 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.4 | -50.3 | 175.7 | -70.9 | 176.2 | 178.9 | -179.1 | -0.4 | 111.2 | L76 C77 I78 C82 T83 E84 | L76-R80 WeakPolarHBondContact O-CG 3.45Å; L76-R80 PolarHBondContact O-N 3.4Å; C77-R80 PolarHBondContact O-N 3.09Å; I78-R80 VanDerWaalsContact C-N 3.33Å; I78-R80 PolarHBondContact O-N 3.07Å; R80-C82 PolarHBondContact O-N 2.9Å; R80-T83 WeakPolarHBondContact O-CB 3.44Å; R80-T83 PolarHBondContact O-N 2.95Å; R80-T83 VanDerWaalsContact O-N 3.14Å; R80-E84 PolarHBondContact O-N 3.41Å |
| 81 | A | 90.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I40 F43 P44 C77 I78 T83 E84 C85 | I40-A81 HydrophobicContact CG2-CB 3.91Å; I40-A81 WeakPolarHBondContact O-CB 3.2Å; F43-A81 HydrophobicContact CD1-CB 4.29Å; F43-A81 HydrophobicContact CE1-CB 3.35Å; F43-A81 HydrophobicContact CZ-CB 3.58Å; P44-A81 HydrophobicContact CG-CB 3.86Å; C77-A81 WeakPolarHBondContact O-CB 3.43Å; C77-A81 PolarHBondContact O-N 2.67Å; I78-A81 PolarHBondContact O-N 2.94Å; A81-T83 VanDerWaalsContact C-N 3.32Å; A81-T83 PolarHBondContact O-N 2.98Å; A81-E84 PolarHBondContact O-N 3.34Å; A81-C85 PolarHBondContact O-N 3.27Å; A81-C85 PolarHBondContact O-SG 3.03Å |
| 82 | C | 91.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | 175.2 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | I78 L79 R80 E84 C85 R86 F89 L120 I123 | I78-C82 WeakPolarHBondContact O-CB 3.49Å; I78-C82 PolarHBondContact O-N 3.18Å; I78-C82 PolarHBondContact O-SG 3.48Å; I78-C82 VanDerWaalsContact O-SG 3.36Å; L79-C82 PolarHBondContact O-N 2.74Å; R80-C82 PolarHBondContact O-N 2.9Å; C82-E84 VanDerWaalsContact C-N 3.3Å; C82-E84 PolarHBondContact O-N 3.43Å; C82-C85 PolarHBondContact O-N 2.65Å; C82-R86 PolarHBondContact O-N 3.4Å; C82-F89 HydrophobicContact CB-CE2 4.04Å; C82-F89 HydrophobicContact CB-CZ 3.87Å; C82-F89 WeakPolarHBondContact O-CE2 3.26Å; C82-F89 WeakPolarHBondContact O-CZ 3.49Å; C82-L120 HydrophobicContact CB-CD1 4.31Å; C82-I123 HydrophobicContact CB-CG2 4.04Å |
| 83 | T | 90.2 | Very high | 87 | Confident | 69 Ų | 69 | 54 Ų | 54 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.1 | -55.6 | 0 | 0 | 0 | 0 | 111 | L79 R80 A81 C85 R86 I123 | L79-T83 PolarHBondContact O-N 3.3Å; L79-T83 PolarHBondContact O-OG1 3.34Å; R80-T83 WeakPolarHBondContact O-CB 3.44Å; R80-T83 PolarHBondContact O-N 2.95Å; R80-T83 VanDerWaalsContact O-N 3.14Å; A81-T83 VanDerWaalsContact C-N 3.32Å; A81-T83 PolarHBondContact O-N 2.98Å; T83-C85 VanDerWaalsContact C-N 3.28Å; T83-C85 PolarHBondContact O-N 3.16Å; T83-R86 PolarHBondContact O-N 2.94Å; T83-I123 WeakPolarHBondContact OG1-CD1 3.4Å |
| 84 | E | 86.1 | Confident | 86.5 | Confident | 141 Ų | 141 | 49 Ų | 49 | 66% | 0.659 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.4 | -31.1 | 175.9 | -65.8 | 176.1 | -164.4 | 0 | 0 | 112.5 | P44 R80 A81 C82 | P44-E84 HydrophobicContact CB-CB 4.34Å; R80-E84 PolarHBondContact O-N 3.41Å; A81-E84 PolarHBondContact O-N 3.34Å; C82-E84 VanDerWaalsContact C-N 3.3Å; C82-E84 PolarHBondContact O-N 3.43Å |
| 85 | C | 84.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 5.5 | -176.8 | -57.2 | 0 | 0 | 0 | 0 | 114.7 | F43 P44 L47 A81 C82 T83 T87 H88 F89 | F43-C85 HydrophobicContact CE2-CB 4.47Å; F43-C85 VanDerWaalsContact CE2-SG 3.53Å; P44-C85 WeakPolarHBondContact CA-SG 3.21Å; P44-C85 WeakPolarHBondContact CB-SG 3.3Å; P44-C85 VanDerWaalsContact CG-SG 3.6Å; L47-C85 HydrophobicContact CD1-CB 4.17Å; A81-C85 PolarHBondContact O-N 3.27Å; A81-C85 PolarHBondContact O-SG 3.03Å; C82-C85 PolarHBondContact O-N 2.65Å; T83-C85 VanDerWaalsContact C-N 3.28Å; T83-C85 PolarHBondContact O-N 3.16Å; C85-T87 PolarHBondContact O-N 2.88Å; C85-H88 WeakPolarHBondContact O-CB 3.34Å; C85-H88 PolarHBondContact O-N 3.39Å; C85-F89 HydrophobicContact CB-CE1 3.94Å; C85-F89 HydrophobicContact CB-CZ 3.75Å |
| 86 | R | 83.4 | Confident | 85.7 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 33% | 0.328 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -55.2 | -33 | -166.1 | -169.4 | 174.9 | -178 | -167.4 | -1.1 | 114 | C82 T83 H88 F89 I123 N125 | C82-R86 PolarHBondContact O-N 3.4Å; T83-R86 PolarHBondContact O-N 2.94Å; R86-H88 VanDerWaalsContact C-N 3.26Å; R86-H88 PolarHBondContact O-N 2.89Å; R86-F89 PolarHBondContact O-N 3.26Å; R86-I123 PolarHBondContact NE-O 3.19Å; R86-N125 VanDerWaalsContact NH2-CG 3.27Å; R86-N125 PolarHBondContact NH2-ND2 2.93Å; R86-N125 PolarHBondContact NH2-OD1 3.36Å |
| 87 | T | 79.7 | Confident | 85.5 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 64% | 0.644 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -64.6 | -28.3 | 178.1 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | C85 | C85-T87 PolarHBondContact O-N 2.88Š|
| 88 | H | 81 | Confident | 85.4 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -80 | -20.3 | -179.2 | -59.1 | -53.2 | 0 | 0 | 0 | 113.2 | I56 C85 R86 K90 K91 | I56-H88 HydrophobicContact CD1-CB 4.23Å; C85-H88 WeakPolarHBondContact O-CB 3.34Å; C85-H88 PolarHBondContact O-N 3.39Å; R86-H88 VanDerWaalsContact C-N 3.26Å; R86-H88 PolarHBondContact O-N 2.89Å; H88-K90 PolarHBondContact O-N 2.89Å; H88-K91 WeakPolarHBondContact O-CB 3.43Å; H88-K91 PolarHBondContact O-N 3.46Å; H88-K91 VanDerWaalsContact O-N 3.09Å |
| 89 | F | 82.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -69.1 | -15.1 | -176.1 | -59.9 | -27.4 | 0 | 0 | 0 | 114.2 | L60 C82 C85 R86 K91 L92 I123 L124 I127 | L60-F89 HydrophobicContact CD1-CD1 4.47Å; L60-F89 HydrophobicContact CD1-CE1 3.78Å; L60-F89 HydrophobicContact CD1-CZ 4.17Å; L60-F89 HydrophobicContact CD2-CE1 3.92Å; L60-F89 HydrophobicContact CG-CD1 4.4Å; L60-F89 HydrophobicContact CG-CE1 3.98Å; C82-F89 HydrophobicContact CB-CE2 4.04Å; C82-F89 HydrophobicContact CB-CZ 3.87Å; C82-F89 WeakPolarHBondContact O-CE2 3.26Å; C82-F89 WeakPolarHBondContact O-CZ 3.49Å; C85-F89 HydrophobicContact CB-CE1 3.94Å; C85-F89 HydrophobicContact CB-CZ 3.75Å; R86-F89 PolarHBondContact O-N 3.26Å; F89-K91 PolarHBondContact O-N 3.39Å; F89-K91 VanDerWaalsContact O-N 3.11Å; F89-L92 WeakPolarHBondContact O-CB 3.11Å; F89-L92 PolarHBondContact O-N 3.47Å; F89-L92 VanDerWaalsContact O-N 3.14Å; F89-I123 HydrophobicContact CD2-CG2 4.36Å; F89-I123 HydrophobicContact CE2-CG2 3.81Å; F89-L124 HydrophobicContact CD2-CD2 3.59Å; F89-L124 HydrophobicContact CE2-CD2 3.68Å; F89-L124 HydrophobicContact CG-CD2 4.07Å; F89-L124 HydrophobicContact CZ-CD2 4.23Å; F89-I127 HydrophobicContact CB-CD1 4.11Å |
| 90 | K | 78.7 | Confident | 85.3 | Confident | 153 Ų | 153 | 60 Ų | 60 | 67% | 0.665 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -59.8 | -18.4 | 169.1 | -65.9 | -173.7 | 176.5 | -168.4 | 0 | 113.6 | H88 E126 | H88-K90 PolarHBondContact O-N 2.89Å; K90-E126 VanDerWaalsContact CE-OE1 3.24Å; K90-E126 WeakPolarHBondContact CE-OE1 3.36Å; K90-E126 HydrophobicContact CG-CG 4.06Å; K90-E126 IonicContact NZ-OE1 3.76Å |
| 91 | K | 75 | Confident | 85.4 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -98.4 | -3.2 | -179.3 | -53.2 | -174.6 | -168.5 | -167.4 | 0 | 113.9 | P51 P53 I56 H88 F89 T93 D1022 | P51-K91 WeakPolarHBondContact O-CD 3.32Å; P51-K91 PolarHBondContact O-NZ 3.32Å; P53-K91 HydrophobicContact CG-CB 4.36Å; I56-K91 HydrophobicContact CD1-CB 3.91Å; I56-K91 HydrophobicContact CD1-CD 3.81Å; I56-K91 HydrophobicContact CD1-CG 4.38Å; H88-K91 WeakPolarHBondContact O-CB 3.43Å; H88-K91 PolarHBondContact O-N 3.46Å; H88-K91 VanDerWaalsContact O-N 3.09Å; F89-K91 PolarHBondContact O-N 3.39Å; F89-K91 VanDerWaalsContact O-N 3.11Å; K91-T93 PolarHBondContact O-N 2.88Å; K91-D1022 VanDerWaalsContact CE-CG 3.48Å; K91-D1022 WeakPolarHBondContact CE-OD1 3.39Å; K91-D1022 WeakPolarHBondContact CE-OD2 3.48Å; K91-D1022 IonicContact NZ-OD1 3.55Å; K91-D1022 PolarHBondContact NZ-OD1 3.18Å; K91-D1022 IonicContact NZ-OD2 4Å; K91-D1022 PolarHBondContact NZ-OD2 3.4Å |
| 92 | L | 80.1 | Confident | 85.6 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | trans | -69.6 | 129.4 | -176.4 | -166.2 | 76.1 | 0 | 0 | 0 | 109 | I56 N57 L60 F89 C95 I98 I127 | I56-L92 HydrophobicContact CG2-CD1 3.8Å; N57-L92 VanDerWaalsContact OD1-CD1 3.28Å; N57-L92 WeakPolarHBondContact OD1-CD1 3.39Å; L60-L92 HydrophobicContact CB-CD1 3.87Å; L60-L92 HydrophobicContact CG-CD1 4.13Å; F89-L92 WeakPolarHBondContact O-CB 3.11Å; F89-L92 PolarHBondContact O-N 3.47Å; F89-L92 VanDerWaalsContact O-N 3.14Å; L92-C95 PolarHBondContact O-SG 3.2Å; L92-I98 HydrophobicContact CD1-CD1 4.28Å; L92-I98 HydrophobicContact CD2-CD1 3.7Å; L92-I98 HydrophobicContact CG-CD1 4.43Å; L92-I127 HydrophobicContact CB-CD1 4.16Å; L92-I127 HydrophobicContact CB-CG1 4.38Å; L92-I127 HydrophobicContact CD2-CD1 3.21Å; L92-I127 HydrophobicContact CD2-CG1 3.88Å; L92-I127 HydrophobicContact CG-CD1 4.33Å | ||
| 93 | T | 79.3 | Confident | 85.7 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | trans | -107.1 | -18.7 | 178.3 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | N57 K91 C95 | N57-T93 PolarHBondContact ND2-OG1 2.86Å; N57-T93 PolarHBondContact OD1-N 3.38Å; K91-T93 PolarHBondContact O-N 2.88Å; T93-C95 VanDerWaalsContact C-N 3.29Å; T93-C95 PolarHBondContact O-N 2.95Å | ||
| 94 | V | 82.6 | Confident | 86 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 19% | 0.194 | 29% | 0.293 | C | S | . | . | trans | -96 | 53 | -176.8 | -162.3 | 0 | 0 | 0 | 0 | 111 | N57 L61 D97 I98 | N57-V94 HydrophobicContact CB-CG2 3.82Å; N57-V94 PolarHBondContact OD1-N 2.95Å; L61-V94 HydrophobicContact CD1-CB 4.39Å; L61-V94 HydrophobicContact CD1-CG1 4.08Å; L61-V94 HydrophobicContact CD1-CG2 4.4Å; L61-V94 HydrophobicContact CD2-CB 4.46Å; L61-V94 HydrophobicContact CD2-CG1 3.83Å; L61-V94 HydrophobicContact CG-CB 4.49Å; L61-V94 HydrophobicContact CG-CG1 4.27Å; V94-D97 HydrophobicContact CG1-CB 3.9Å; V94-D97 WeakPolarHBondContact CG1-OD2 3.39Å; V94-I98 WeakPolarHBondContact O-CD1 3.27Å | ||
| 95 | C | 83.1 | Confident | 86.4 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -52 | -172.8 | -68.8 | 0 | 0 | 0 | 0 | 113 | L92 T93 D97 I98 I99 I127 | L92-C95 PolarHBondContact O-SG 3.2Å; T93-C95 VanDerWaalsContact C-N 3.29Å; T93-C95 PolarHBondContact O-N 2.95Å; C95-D97 PolarHBondContact O-N 2.93Å; C95-I98 PolarHBondContact O-N 3.49Å; C95-I99 WeakPolarHBondContact O-CG1 3.31Å; C95-I99 PolarHBondContact O-N 2.84Å; C95-I99 VanDerWaalsContact O-N 3.12Å; C95-I127 HydrophobicContact CB-CG2 3.45Å; C95-I127 VanDerWaalsContact CB-CG2 3.45Å; C95-I127 VanDerWaalsContact SG-CG2 3.53Å |
| 96 | E | 86.4 | Confident | 86.8 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | -173.8 | -71.7 | -60 | 141.1 | 0 | 0 | 112.9 | I98 I99 R100 H131 | E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.04Å; E96-I99 PolarHBondContact O-N 2.78Å; E96-R100 VanDerWaalsContact O-CB 3.3Å; E96-R100 WeakPolarHBondContact O-CB 3.34Å; E96-R100 PolarHBondContact O-N 3.16Å; E96-H131 IonicContact OE2-CD2 3.06Å |
| 97 | D | 88 | Confident | 87.2 | Confident | 65 Ų | 65 | 58 Ų | 58 | 35% | 0.348 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | -178.2 | -59.6 | -34.2 | 0 | 0 | 0 | 112.2 | L61 V94 C95 R100 K101 | L61-D97 HydrophobicContact CD2-CB 4.2Å; V94-D97 HydrophobicContact CG1-CB 3.9Å; V94-D97 WeakPolarHBondContact CG1-OD2 3.39Å; C95-D97 PolarHBondContact O-N 2.93Å; D97-R100 IonicContact OD1-CZ 2.82Å; D97-R100 IonicContact OD1-NH1 2.83Å; D97-R100 PolarHBondContact OD1-NH1 2.76Å; D97-R100 IonicContact OD1-NH2 3.38Å; D97-K101 WeakPolarHBondContact O-CG 3.27Å; D97-K101 PolarHBondContact O-N 3.48Å |
| 98 | I | 91.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69 | -47.4 | 177.4 | -72.1 | 166.8 | 0 | 0 | 0 | 109.8 | L60 L61 T64 L92 V94 C95 E96 R100 K101 L102 L124 | L60-I98 HydrophobicContact CB-CD1 3.94Å; L61-I98 HydrophobicContact CD2-CD1 4.46Å; L61-I98 HydrophobicContact CD2-CG1 3.97Å; T64-I98 HydrophobicContact CG2-CG2 4.11Å; T64-I98 WeakPolarHBondContact OG1-CG2 3.43Å; L92-I98 HydrophobicContact CD1-CD1 4.28Å; L92-I98 HydrophobicContact CD2-CD1 3.7Å; L92-I98 HydrophobicContact CG-CD1 4.43Å; V94-I98 WeakPolarHBondContact O-CD1 3.27Å; C95-I98 PolarHBondContact O-N 3.49Å; E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.04Å; I98-R100 PolarHBondContact O-N 2.58Å; I98-K101 PolarHBondContact O-N 3.29Å; I98-L102 HydrophobicContact CG2-CD1 3.8Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.48Å; I98-L102 VanDerWaalsContact O-N 3.13Å; I98-L124 HydrophobicContact CG2-CD1 4.24Å |
| 99 | I | 92.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 179 | -63.5 | 171.2 | 0 | 0 | 0 | 110.4 | C95 E96 K101 L102 L103 I127 T128 H131 V134 | C95-I99 WeakPolarHBondContact O-CG1 3.31Å; C95-I99 PolarHBondContact O-N 2.84Å; C95-I99 VanDerWaalsContact O-N 3.12Å; E96-I99 PolarHBondContact O-N 2.78Å; I99-K101 PolarHBondContact O-N 3.08Å; I99-L102 PolarHBondContact O-N 3.39Å; I99-L102 VanDerWaalsContact O-N 3.09Å; I99-L103 WeakPolarHBondContact O-CB 3.47Å; I99-L103 PolarHBondContact O-N 3.43Å; I99-I127 HydrophobicContact CD1-CG2 3.88Å; I99-I127 HydrophobicContact CG1-CG2 4.24Å; I99-T128 HydrophobicContact CD1-CG2 4.17Å; I99-T128 HydrophobicContact CG1-CG2 4.27Å; I99-H131 HydrophobicContact CD1-CB 3.87Å; I99-H131 WeakPolarHBondContact CG2-NE2 3.27Å; I99-V134 HydrophobicContact CG2-CG2 3.53Å |
| 100 | R | 92.4 | Very high | 88.9 | Confident | 150 Ų | 150 | 63.7 Ų | 63.7 | 57% | 0.566 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.5 | -36.7 | 179.4 | -166.7 | -175.5 | -52.7 | 113 | 8.5 | 112.9 | E96 D97 I98 P104 | E96-R100 VanDerWaalsContact O-CB 3.3Å; E96-R100 WeakPolarHBondContact O-CB 3.34Å; E96-R100 PolarHBondContact O-N 3.16Å; D97-R100 IonicContact OD1-CZ 2.82Å; D97-R100 IonicContact OD1-NH1 2.83Å; D97-R100 PolarHBondContact OD1-NH1 2.76Å; D97-R100 IonicContact OD1-NH2 3.38Å; I98-R100 PolarHBondContact O-N 2.58Å; R100-P104 WeakPolarHBondContact O-CD 3.41Å |
| 101 | K | 93.8 | Very high | 89.7 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.7 | -34.8 | 177.6 | -74.6 | -177.8 | 177.6 | -160.7 | 0 | 113.5 | T64 D97 I98 I99 | T64-K101 HydrophobicContact CG2-CB 3.86Å; T64-K101 HydrophobicContact CG2-CD 4.15Å; D97-K101 WeakPolarHBondContact O-CG 3.27Å; D97-K101 PolarHBondContact O-N 3.48Å; I98-K101 PolarHBondContact O-N 3.29Å; I99-K101 PolarHBondContact O-N 3.08Å |
| 102 | L | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -83.9 | -32.2 | -176.5 | -67.9 | 175.2 | 0 | 0 | 0 | 112.9 | T64 F67 I98 I99 P104 F105 L120 F121 L124 | T64-L102 HydrophobicContact CG2-CD1 4.35Å; T64-L102 HydrophobicContact CG2-CD2 3.9Å; T64-L102 HydrophobicContact CG2-CG 3.82Å; F67-L102 HydrophobicContact CB-CD2 4.36Å; F67-L102 HydrophobicContact CD1-CD2 3.4Å; F67-L102 VanDerWaalsContact CD1-CD2 3.4Å; F67-L102 HydrophobicContact CE1-CD2 3.9Å; F67-L102 HydrophobicContact CG-CD2 4.02Å; I98-L102 HydrophobicContact CG2-CD1 3.8Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.48Å; I98-L102 VanDerWaalsContact O-N 3.13Å; I99-L102 PolarHBondContact O-N 3.39Å; I99-L102 VanDerWaalsContact O-N 3.09Å; L102-P104 VanDerWaalsContact C-CD 3.45Å; L102-F105 WeakPolarHBondContact O-CB 3.3Å; L102-F105 PolarHBondContact O-N 3.44Å; L102-L120 HydrophobicContact CD1-CD2 3.7Å; L102-L120 HydrophobicContact CD1-CG 4.3Å; L102-L120 HydrophobicContact CD2-CD2 3.94Å; L102-L120 HydrophobicContact CG-CD2 4.49Å; L102-F121 HydrophobicContact CB-CE1 3.76Å; L102-F121 HydrophobicContact CB-CZ 3.84Å; L102-F121 HydrophobicContact CD1-CE1 4.15Å; L102-L124 HydrophobicContact CD1-CD1 4.21Å |
| 103 | L | 94.8 | Very high | 91.3 | Very high | 48 Ų | 48 | 59.5 Ų | 59.5 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -54.7 | -41.7 | -172.9 | -164.7 | 66.6 | 0 | 0 | 0 | 114.3 | I99 F105 T106 F121 V134 A137 | I99-L103 WeakPolarHBondContact O-CB 3.47Å; I99-L103 PolarHBondContact O-N 3.43Å; L103-F105 PolarHBondContact O-N 3.46Å; L103-F105 VanDerWaalsContact O-N 3.09Å; L103-T106 WeakPolarHBondContact O-CB 3.49Å; L103-T106 WeakPolarHBondContact O-CG2 3.11Å; L103-T106 PolarHBondContact O-N 3.13Å; L103-T106 PolarHBondContact O-OG1 3.14Å; L103-F121 HydrophobicContact CD1-CE2 4.35Å; L103-F121 HydrophobicContact CD1-CZ 4.22Å; L103-V134 HydrophobicContact CD1-CG2 4.18Å; L103-A137 HydrophobicContact CD1-CB 4.49Å |
| 104 | P | 95.1 | Very high | 92.1 | Very high | 81 Ų | 81 | 56 Ų | 56 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -58.7 | -24.6 | 177.5 | -25.9 | 36 | 0 | 0 | 0 | 114.5 | R100 L102 T106 E107 | R100-P104 WeakPolarHBondContact O-CD 3.41Å; L102-P104 VanDerWaalsContact C-CD 3.45Å; P104-T106 PolarHBondContact O-N 3.31Å; P104-E107 PolarHBondContact O-N 3.35Å |
| 105 | F | 95 | Very high | 92.8 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 20% | 0.197 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -73.7 | -13.3 | 179.8 | -69.8 | -94.7 | 0 | 0 | 0 | 113.1 | C68 L102 L103 E107 S108 V113 T117 | C68-F105 HydrophobicContact CB-CE2 3.72Å; C68-F105 HydrophobicContact CB-CZ 3.63Å; C68-F105 WeakPolarHBondContact O-CE1 3.48Å; C68-F105 WeakPolarHBondContact O-CZ 3.29Å; C68-F105 VanDerWaalsContact SG-CE2 3.55Å; L102-F105 WeakPolarHBondContact O-CB 3.3Å; L102-F105 PolarHBondContact O-N 3.44Å; L103-F105 PolarHBondContact O-N 3.46Å; L103-F105 VanDerWaalsContact O-N 3.09Å; F105-E107 PolarHBondContact O-N 3.34Å; F105-S108 WeakPolarHBondContact O-CB 3.26Å; F105-S108 PolarHBondContact O-N 2.93Å; F105-V113 HydrophobicContact CB-CG1 4.09Å; F105-V113 HydrophobicContact CD1-CG1 3.69Å; F105-V113 HydrophobicContact CG-CG1 4.39Å; F105-T117 HydrophobicContact CB-CG2 4.01Å; F105-T117 WeakPolarHBondContact CB-OG1 3.43Å |
| 106 | T | 93.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -68.7 | -16.2 | 170.5 | 64 | 0 | 0 | 0 | 0 | 113.2 | L103 P104 R114 T117 F121 A137 | L103-T106 WeakPolarHBondContact O-CB 3.49Å; L103-T106 WeakPolarHBondContact O-CG2 3.11Å; L103-T106 PolarHBondContact O-N 3.13Å; L103-T106 PolarHBondContact O-OG1 3.14Å; P104-T106 PolarHBondContact O-N 3.31Å; T106-R114 WeakPolarHBondContact O-CD 3.46Å; T106-T117 HydrophobicContact CG2-CG2 3.92Å; T106-F121 HydrophobicContact CG2-CD2 4.43Å; T106-F121 HydrophobicContact CG2-CE2 3.6Å; T106-F121 HydrophobicContact CG2-CZ 4.48Å; T106-A137 HydrophobicContact CG2-CB 3.8Å |
| 107 | E | 92.3 | Very high | 94 | Very high | 148 Ų | 148 | 49 Ų | 49 | 69% | 0.692 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -110.8 | 14.3 | 177.1 | -57.5 | -171.2 | 152.6 | 0 | 0 | 112.1 | P104 F105 | P104-E107 PolarHBondContact O-N 3.35Å; F105-E107 PolarHBondContact O-N 3.34Å |
| 108 | S | 93 | Very high | 94.5 | Very high | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | trans | -60.4 | 145.6 | 175.9 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | F105 D110 R114 | F105-S108 WeakPolarHBondContact O-CB 3.26Å; F105-S108 PolarHBondContact O-N 2.93Å; S108-D110 PolarHBondContact O-N 3.06Å; S108-D110 PolarHBondContact OG-N 3.38Å; S108-R114 WeakPolarHBondContact O-CD 3.39Å; S108-R114 WeakPolarHBondContact O-CG 3.46Å; S108-R114 PolarHBondContact O-NH1 2.75Å | ||
| 109 | N | 91.7 | Very high | 94.7 | Very high | 164 Ų | 164 | 50.5 Ų | 50.5 | 88% | 0.877 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -66.5 | -19.4 | 173.5 | -68.3 | -34.6 | 0 | 0 | 0 | 113 | P111 R114 | N109-P111 WeakPolarHBondContact O-CD 3.24Å; N109-R114 PolarHBondContact O-NH1 2.9Å |
| 110 | D | 93.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | trans | -88.6 | 114.2 | 178.6 | -178.3 | -9.3 | 0 | 0 | 0 | 111.2 | N72 S108 T112 V113 R114 | N72-D110 PolarHBondContact ND2-OD2 2.68Å; S108-D110 PolarHBondContact O-N 3.06Å; S108-D110 PolarHBondContact OG-N 3.38Å; D110-T112 PolarHBondContact O-N 2.93Å; D110-T112 WeakPolarHBondContact OD1-CA 3.19Å; D110-T112 WeakPolarHBondContact OD1-CB 3.45Å; D110-T112 PolarHBondContact OD1-N 3.02Å; D110-T112 PolarHBondContact OD1-OG1 3.19Å; D110-V113 HydrophobicContact CB-CB 4.07Å; D110-V113 HydrophobicContact CB-CG2 3.77Å; D110-V113 WeakPolarHBondContact O-CB 3.17Å; D110-V113 PolarHBondContact O-N 3.05Å; D110-V113 VanDerWaalsContact O-N 3.1Å; D110-V113 WeakPolarHBondContact OD2-CG2 2.77Å; D110-R114 PolarHBondContact O-N 2.89Å | ||
| 111 | P | 94.1 | Very high | 95 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -29.3 | 178.6 | 24.4 | -33.6 | 0 | 0 | 0 | 113.2 | N109 R114 A115 Y146 | N109-P111 WeakPolarHBondContact O-CD 3.24Å; P111-R114 PolarHBondContact O-N 3.42Å; P111-A115 WeakPolarHBondContact O-CB 3.42Å; P111-A115 PolarHBondContact O-N 3.07Å; P111-Y146 HydrophobicContact CB-CD1 3.92Å; P111-Y146 HydrophobicContact CB-CD2 3.97Å; P111-Y146 HydrophobicContact CB-CE1 4.32Å; P111-Y146 HydrophobicContact CB-CE2 4.36Å; P111-Y146 HydrophobicContact CB-CG 3.73Å; P111-Y146 HydrophobicContact CG-CD1 4.02Å; P111-Y146 HydrophobicContact CG-CE1 4.06Å; P111-Y146 HydrophobicContact CG-CG 4.33Å |
| 112 | T | 95 | Very high | 95.1 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 177.8 | -43.5 | 0 | 0 | 0 | 0 | 110.9 | N72 D110 A115 L116 | N72-T112 HydrophobicContact CB-CG2 4.37Å; D110-T112 PolarHBondContact O-N 2.93Å; D110-T112 WeakPolarHBondContact OD1-CA 3.19Å; D110-T112 WeakPolarHBondContact OD1-CB 3.45Å; D110-T112 PolarHBondContact OD1-N 3.02Å; D110-T112 PolarHBondContact OD1-OG1 3.19Å; T112-A115 PolarHBondContact O-N 2.84Å; T112-L116 HydrophobicContact CG2-CD1 4.14Å; T112-L116 WeakPolarHBondContact O-CB 3.33Å; T112-L116 VanDerWaalsContact O-CG 3.23Å; T112-L116 WeakPolarHBondContact O-CG 3.34Å; T112-L116 PolarHBondContact O-N 3.12Å |
| 113 | V | 95.7 | Very high | 95 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 110 | N72 F105 D110 A115 L116 T117 | N72-V113 WeakPolarHBondContact OD1-CG2 3.48Å; F105-V113 HydrophobicContact CB-CG1 4.09Å; F105-V113 HydrophobicContact CD1-CG1 3.69Å; F105-V113 HydrophobicContact CG-CG1 4.39Å; D110-V113 HydrophobicContact CB-CB 4.07Å; D110-V113 HydrophobicContact CB-CG2 3.77Å; D110-V113 WeakPolarHBondContact O-CB 3.17Å; D110-V113 PolarHBondContact O-N 3.05Å; D110-V113 VanDerWaalsContact O-N 3.1Å; D110-V113 WeakPolarHBondContact OD2-CG2 2.77Å; V113-A115 PolarHBondContact O-N 3.48Å; V113-L116 PolarHBondContact O-N 3.22Å; V113-T117 WeakPolarHBondContact O-CB 3.48Å; V113-T117 PolarHBondContact O-N 3.11Å; V113-T117 PolarHBondContact O-OG1 3.07Å |
| 114 | R | 95.9 | Very high | 94.9 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.106 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 177.3 | -61.6 | -166.6 | -57.5 | -94.3 | 3 | 110.9 | T106 S108 N109 D110 P111 L116 T117 L118 Y146 E149 | T106-R114 WeakPolarHBondContact O-CD 3.46Å; S108-R114 WeakPolarHBondContact O-CD 3.39Å; S108-R114 WeakPolarHBondContact O-CG 3.46Å; S108-R114 PolarHBondContact O-NH1 2.75Å; N109-R114 PolarHBondContact O-NH1 2.9Å; D110-R114 PolarHBondContact O-N 2.89Å; P111-R114 PolarHBondContact O-N 3.42Å; R114-L116 PolarHBondContact O-N 2.91Å; R114-T117 WeakPolarHBondContact O-CB 3.18Å; R114-T117 PolarHBondContact O-N 2.61Å; R114-T117 VanDerWaalsContact O-N 3.13Å; R114-L118 WeakPolarHBondContact O-CG 3.3Å; R114-L118 PolarHBondContact O-N 2.84Å; R114-Y146 VanDerWaalsContact NH2-CD2 3.33Å; R114-E149 WeakPolarHBondContact CB-OE1 3.34Å; R114-E149 VanDerWaalsContact CD-OE1 3.31Å; R114-E149 WeakPolarHBondContact CD-OE1 3.4Å; R114-E149 IonicContact CZ-OE1 3.71Å; R114-E149 IonicContact CZ-OE2 3.49Å; R114-E149 VanDerWaalsContact NE-CD 3.32Å; R114-E149 IonicContact NE-OE1 2.73Å; R114-E149 PolarHBondContact NE-OE1 3.03Å; R114-E149 IonicContact NE-OE2 3.27Å; R114-E149 PolarHBondContact NE-OE2 2.85Å; R114-E149 IonicContact NH2-OE1 3.79Å; R114-E149 IonicContact NH2-OE2 2.81Å; R114-E149 PolarHBondContact NH2-OE2 3.44Å |
| 115 | A | 97.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P111 T112 V113 T117 L118 R119 V148 E149 A152 | P111-A115 WeakPolarHBondContact O-CB 3.42Å; P111-A115 PolarHBondContact O-N 3.07Å; T112-A115 PolarHBondContact O-N 2.84Å; V113-A115 PolarHBondContact O-N 3.48Å; A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.04Å; A115-L118 PolarHBondContact O-N 3.03Å; A115-R119 WeakPolarHBondContact O-CG 3.37Å; A115-R119 PolarHBondContact O-N 3.42Å; A115-V148 HydrophobicContact CB-CG1 3.92Å; A115-V148 WeakPolarHBondContact CB-O 3.28Å; A115-E149 HydrophobicContact CB-CB 4.45Å; A115-A152 HydrophobicContact CB-CB 3.86Å; A115-A152 WeakPolarHBondContact O-CB 3.44Å |
| 116 | L | 97.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -35.6 | 176.9 | -72.4 | 171.3 | 0 | 0 | 0 | 112.1 | F67 N72 R75 L76 L79 T112 V113 R114 L120 | F67-L116 HydrophobicContact CZ-CB 4.34Å; N72-L116 HydrophobicContact CB-CD1 4.29Å; R75-L116 HydrophobicContact CB-CD1 3.71Å; L76-L116 HydrophobicContact CB-CD2 4.4Å; L76-L116 HydrophobicContact CD1-CD2 4.05Å; L79-L116 HydrophobicContact CD1-CD2 4.16Å; L79-L116 WeakPolarHBondContact CD1-O 3.49Å; T112-L116 HydrophobicContact CG2-CD1 4.14Å; T112-L116 WeakPolarHBondContact O-CB 3.33Å; T112-L116 VanDerWaalsContact O-CG 3.23Å; T112-L116 WeakPolarHBondContact O-CG 3.34Å; T112-L116 PolarHBondContact O-N 3.12Å; V113-L116 PolarHBondContact O-N 3.22Å; R114-L116 PolarHBondContact O-N 2.91Å; L116-L120 WeakPolarHBondContact O-CB 3.44Å; L116-L120 PolarHBondContact O-N 3.5Å |
| 117 | T | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -44.7 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | F105 T106 V113 R114 A115 R119 L120 F121 | F105-T117 HydrophobicContact CB-CG2 4.01Å; F105-T117 WeakPolarHBondContact CB-OG1 3.43Å; T106-T117 HydrophobicContact CG2-CG2 3.92Å; V113-T117 WeakPolarHBondContact O-CB 3.48Å; V113-T117 PolarHBondContact O-N 3.11Å; V113-T117 PolarHBondContact O-OG1 3.07Å; R114-T117 WeakPolarHBondContact O-CB 3.18Å; R114-T117 PolarHBondContact O-N 2.61Å; R114-T117 VanDerWaalsContact O-N 3.13Å; A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.04Å; T117-R119 PolarHBondContact O-N 3.21Å; T117-L120 WeakPolarHBondContact O-CB 3.41Å; T117-L120 PolarHBondContact O-N 3.14Å; T117-L120 VanDerWaalsContact O-N 3.15Å; T117-F121 HydrophobicContact CG2-CD2 4.33Å; T117-F121 HydrophobicContact CG2-CE2 3.85Å; T117-F121 HydrophobicContact CG2-CZ 4.2Å; T117-F121 PolarHBondContact O-N 3.29Å |
| 118 | L | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 175 | -67.1 | 176.4 | 0 | 0 | 0 | 112 | R114 A115 L120 F121 G122 I138 Q141 E149 A152 A153 | R114-L118 WeakPolarHBondContact O-CG 3.3Å; R114-L118 PolarHBondContact O-N 2.84Å; A115-L118 PolarHBondContact O-N 3.03Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.23Å; L118-F121 PolarHBondContact O-N 2.85Å; L118-G122 PolarHBondContact O-N 2.85Å; L118-I138 HydrophobicContact CD2-CB 4.48Å; L118-I138 HydrophobicContact CD2-CG1 3.91Å; L118-Q141 HydrophobicContact CD1-CB 3.8Å; L118-Q141 HydrophobicContact CD1-CG 4.14Å; L118-E149 HydrophobicContact CD1-CG 4.17Å; L118-A152 HydrophobicContact CB-CB 4.2Å; L118-A153 HydrophobicContact CD1-CB 4.02Å |
| 119 | R | 96.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 30.2 Ų | 30.2 | 36% | 0.362 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 174.7 | -70.9 | -170.1 | 179.2 | -164.9 | -0.2 | 111.9 | L79 A115 T117 G122 I123 A152 W155 | L79-R119 HydrophobicContact CD1-CB 3.43Å; L79-R119 VanDerWaalsContact CD1-CB 3.43Å; A115-R119 WeakPolarHBondContact O-CG 3.37Å; A115-R119 PolarHBondContact O-N 3.42Å; T117-R119 PolarHBondContact O-N 3.21Å; R119-G122 PolarHBondContact O-N 3.16Å; R119-I123 WeakPolarHBondContact O-CG1 3.5Å; R119-I123 PolarHBondContact O-N 2.88Å; R119-A152 HydrophobicContact CG-CB 3.74Å; R119-W155 HydrophobicContact CB-CE3 4.35Å; R119-W155 HydrophobicContact CB-CZ3 4.37Å; R119-W155 HydrophobicContact CG-CE3 4.2Å; R119-W155 VanDerWaalsContact O-CZ3 3.31Å; R119-W155 WeakPolarHBondContact O-CZ3 3.37Å |
| 120 | L | 95.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 175 | -176.8 | 59.1 | 0 | 0 | 0 | 111.3 | F67 C82 L102 L116 T117 L118 G122 I123 L124 | F67-L120 HydrophobicContact CD1-CD2 4.38Å; F67-L120 HydrophobicContact CD2-CD2 3.77Å; F67-L120 HydrophobicContact CE1-CD2 4.38Å; F67-L120 HydrophobicContact CE2-CD2 3.76Å; F67-L120 HydrophobicContact CG-CD2 4.09Å; F67-L120 HydrophobicContact CZ-CD2 4.08Å; C82-L120 HydrophobicContact CB-CD1 4.31Å; L102-L120 HydrophobicContact CD1-CD2 3.7Å; L102-L120 HydrophobicContact CD1-CG 4.3Å; L102-L120 HydrophobicContact CD2-CD2 3.94Å; L102-L120 HydrophobicContact CG-CD2 4.49Å; L116-L120 WeakPolarHBondContact O-CB 3.44Å; L116-L120 PolarHBondContact O-N 3.5Å; T117-L120 WeakPolarHBondContact O-CB 3.41Å; T117-L120 PolarHBondContact O-N 3.14Å; T117-L120 VanDerWaalsContact O-N 3.15Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.23Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 3.2Å; L120-I123 WeakPolarHBondContact O-CB 3.32Å; L120-I123 PolarHBondContact O-N 3.45Å; L120-I123 VanDerWaalsContact O-N 3.12Å; L120-L124 HydrophobicContact CD1-CD1 4.1Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CG-CD1 4.01Å; L120-L124 HydrophobicContact CG-CG 4.46Å; L120-L124 WeakPolarHBondContact O-CG 3.29Å; L120-L124 PolarHBondContact O-N 2.98Å |
| 121 | F | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -38.1 | 172.8 | -71.6 | -38.3 | 0 | 0 | 0 | 113.1 | L102 L103 T106 T117 L118 I123 L124 N125 T128 V134 I138 | L102-F121 HydrophobicContact CB-CE1 3.76Å; L102-F121 HydrophobicContact CB-CZ 3.84Å; L102-F121 HydrophobicContact CD1-CE1 4.15Å; L103-F121 HydrophobicContact CD1-CE2 4.35Å; L103-F121 HydrophobicContact CD1-CZ 4.22Å; T106-F121 HydrophobicContact CG2-CD2 4.43Å; T106-F121 HydrophobicContact CG2-CE2 3.6Å; T106-F121 HydrophobicContact CG2-CZ 4.48Å; T117-F121 HydrophobicContact CG2-CD2 4.33Å; T117-F121 HydrophobicContact CG2-CE2 3.85Å; T117-F121 HydrophobicContact CG2-CZ 4.2Å; T117-F121 PolarHBondContact O-N 3.29Å; L118-F121 PolarHBondContact O-N 2.85Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 PolarHBondContact O-N 3.48Å; F121-L124 CarbonylContact O-C 3.58Å; F121-L124 VanDerWaalsContact O-C 3.32Å; F121-L124 PolarHBondContact O-N 3.1Å; F121-N125 PolarHBondContact O-N 3.34Å; F121-T128 HydrophobicContact CB-CG2 4.31Å; F121-T128 HydrophobicContact CD1-CG2 3.78Å; F121-T128 HydrophobicContact CG-CG2 4.38Å; F121-T128 PolarHBondContact O-OG1 3.15Å; F121-V134 HydrophobicContact CB-CG1 3.76Å; F121-V134 HydrophobicContact CD1-CG1 4.02Å; F121-V134 HydrophobicContact CD1-CG2 4.05Å; F121-V134 HydrophobicContact CD2-CG1 3.68Å; F121-V134 HydrophobicContact CD2-CG2 4.36Å; F121-V134 HydrophobicContact CE1-CG2 3.8Å; F121-V134 HydrophobicContact CE2-CG1 4.21Å; F121-V134 HydrophobicContact CE2-CG2 4.11Å; F121-V134 HydrophobicContact CG-CG1 3.57Å; F121-V134 HydrophobicContact CG-CG2 4.33Å; F121-V134 HydrophobicContact CZ-CG2 3.83Å; F121-I138 HydrophobicContact CB-CD1 4.44Å |
| 122 | G | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -28.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L118 R119 L120 N125 T159 | L118-G122 PolarHBondContact O-N 2.85Å; R119-G122 PolarHBondContact O-N 3.16Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 3.2Å; G122-N125 WeakPolarHBondContact O-CB 3.05Å; G122-T159 VanDerWaalsContact C-OG1 3.31Å; G122-T159 WeakPolarHBondContact CA-OG1 3.38Å; G122-T159 VanDerWaalsContact O-CB 3.24Å; G122-T159 WeakPolarHBondContact O-CB 3.44Å; G122-T159 PolarHBondContact O-OG1 3.41Å |
| 123 | I | 93.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.1 | -41.9 | 171.5 | -68.2 | 163.6 | 0 | 0 | 0 | 110.5 | L79 C82 T83 R86 F89 R119 L120 F121 N125 W155 | L79-I123 HydrophobicContact CD1-CD1 4.23Å; L79-I123 HydrophobicContact CD2-CD1 3.87Å; L79-I123 HydrophobicContact CG-CD1 3.55Å; L79-I123 WeakPolarHBondContact O-CD1 3.46Å; C82-I123 HydrophobicContact CB-CG2 4.04Å; T83-I123 WeakPolarHBondContact OG1-CD1 3.4Å; R86-I123 PolarHBondContact NE-O 3.19Å; F89-I123 HydrophobicContact CD2-CG2 4.36Å; F89-I123 HydrophobicContact CE2-CG2 3.81Å; R119-I123 WeakPolarHBondContact O-CG1 3.5Å; R119-I123 PolarHBondContact O-N 2.88Å; L120-I123 WeakPolarHBondContact O-CB 3.32Å; L120-I123 PolarHBondContact O-N 3.45Å; L120-I123 VanDerWaalsContact O-N 3.12Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 PolarHBondContact O-N 3.48Å; I123-N125 PolarHBondContact O-N 3.27Å; I123-W155 HydrophobicContact CG1-CH2 3.72Å; I123-W155 HydrophobicContact CG1-CZ3 4.21Å |
| 124 | L | 91.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 27.4 | 178.1 | -59.1 | 178 | 0 | 0 | 0 | 112.5 | F89 I98 L102 L120 F121 E126 I127 T128 | F89-L124 HydrophobicContact CD2-CD2 3.59Å; F89-L124 HydrophobicContact CE2-CD2 3.68Å; F89-L124 HydrophobicContact CG-CD2 4.07Å; F89-L124 HydrophobicContact CZ-CD2 4.23Å; I98-L124 HydrophobicContact CG2-CD1 4.24Å; L102-L124 HydrophobicContact CD1-CD1 4.21Å; L120-L124 HydrophobicContact CD1-CD1 4.1Å; L120-L124 HydrophobicContact CD1-CG 4.2Å; L120-L124 HydrophobicContact CG-CD1 4.01Å; L120-L124 HydrophobicContact CG-CG 4.46Å; L120-L124 WeakPolarHBondContact O-CG 3.29Å; L120-L124 PolarHBondContact O-N 2.98Å; F121-L124 CarbonylContact O-C 3.58Å; F121-L124 VanDerWaalsContact O-C 3.32Å; F121-L124 PolarHBondContact O-N 3.1Å; L124-E126 VanDerWaalsContact C-N 3.28Å; L124-E126 PolarHBondContact O-N 2.94Å; L124-I127 HydrophobicContact CB-CD1 4.12Å; L124-I127 HydrophobicContact CD2-CD1 3.93Å; L124-I127 WeakPolarHBondContact O-CB 3.45Å; L124-I127 PolarHBondContact O-N 3.49Å; L124-T128 HydrophobicContact CB-CG2 4.38Å; L124-T128 PolarHBondContact O-N 3.18Å; L124-T128 PolarHBondContact O-OG1 3.4Å |
| 125 | N | 92 | Very high | 93.3 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57 | -35.9 | -172.2 | 69.3 | -29.5 | 0 | 0 | 0 | 113.9 | R86 F121 G122 I123 I127 T128 R129 T159 V160 I163 | R86-N125 VanDerWaalsContact NH2-CG 3.27Å; R86-N125 PolarHBondContact NH2-ND2 2.93Å; R86-N125 PolarHBondContact NH2-OD1 3.36Å; F121-N125 PolarHBondContact O-N 3.34Å; G122-N125 WeakPolarHBondContact O-CB 3.05Å; I123-N125 PolarHBondContact O-N 3.27Å; N125-I127 PolarHBondContact O-N 3.17Å; N125-T128 VanDerWaalsContact CA-OG1 3.31Å; N125-T128 WeakPolarHBondContact CA-OG1 3.44Å; N125-T128 PolarHBondContact O-N 2.95Å; N125-R129 WeakPolarHBondContact O-CB 3.34Å; N125-R129 PolarHBondContact O-N 3.15Å; N125-T159 PolarHBondContact ND2-O 2.88Å; N125-V160 HydrophobicContact CB-CG2 4.03Å; N125-I163 VanDerWaalsContact C-CD1 3.45Å; N125-I163 HydrophobicContact CB-CD1 3.63Å; N125-I163 WeakPolarHBondContact ND2-CD1 3.2Å; N125-I163 WeakPolarHBondContact O-CD1 3.48Å |
| 126 | E | 87.9 | Confident | 93.2 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.8 | -28.7 | 176.6 | -67.8 | -72 | -174.5 | 0 | 0 | 113 | K90 L124 R129 | K90-E126 VanDerWaalsContact CE-OE1 3.24Å; K90-E126 WeakPolarHBondContact CE-OE1 3.36Å; K90-E126 HydrophobicContact CG-CG 4.06Å; K90-E126 IonicContact NZ-OE1 3.76Å; L124-E126 VanDerWaalsContact C-N 3.28Å; L124-E126 PolarHBondContact O-N 2.94Å; E126-R129 IonicContact OE2-CZ 3.59Å; E126-R129 IonicContact OE2-NH1 3.23Å; E126-R129 PolarHBondContact OE2-NH1 3.36Å; E126-R129 IonicContact OE2-NH2 2.58Å |
| 127 | I | 86.6 | Confident | 93 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 10% | 0.097 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -91.4 | -36.4 | -178.9 | -62.7 | 145.7 | 0 | 0 | 0 | 110.5 | F89 L92 C95 I99 L124 N125 | F89-I127 HydrophobicContact CB-CD1 4.11Å; L92-I127 HydrophobicContact CB-CD1 4.16Å; L92-I127 HydrophobicContact CB-CG1 4.38Å; L92-I127 HydrophobicContact CD2-CD1 3.21Å; L92-I127 HydrophobicContact CD2-CG1 3.88Å; L92-I127 HydrophobicContact CG-CD1 4.33Å; C95-I127 HydrophobicContact CB-CG2 3.45Å; C95-I127 VanDerWaalsContact CB-CG2 3.45Å; C95-I127 VanDerWaalsContact SG-CG2 3.53Å; I99-I127 HydrophobicContact CD1-CG2 3.88Å; I99-I127 HydrophobicContact CG1-CG2 4.24Å; L124-I127 HydrophobicContact CB-CD1 4.12Å; L124-I127 HydrophobicContact CD2-CD1 3.93Å; L124-I127 WeakPolarHBondContact O-CB 3.45Å; L124-I127 PolarHBondContact O-N 3.49Å; N125-I127 PolarHBondContact O-N 3.17Å |
| 128 | T | 89 | Confident | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -86.3 | -8 | -176.9 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | I99 F121 L124 N125 D130 H131 V134 H135 | I99-T128 HydrophobicContact CD1-CG2 4.17Å; I99-T128 HydrophobicContact CG1-CG2 4.27Å; F121-T128 HydrophobicContact CB-CG2 4.31Å; F121-T128 HydrophobicContact CD1-CG2 3.78Å; F121-T128 HydrophobicContact CG-CG2 4.38Å; F121-T128 PolarHBondContact O-OG1 3.15Å; L124-T128 HydrophobicContact CB-CG2 4.38Å; L124-T128 PolarHBondContact O-N 3.18Å; L124-T128 PolarHBondContact O-OG1 3.4Å; N125-T128 VanDerWaalsContact CA-OG1 3.31Å; N125-T128 WeakPolarHBondContact CA-OG1 3.44Å; N125-T128 PolarHBondContact O-N 2.95Å; T128-D130 PolarHBondContact O-N 2.96Å; T128-H131 PolarHBondContact O-N 3.2Å; T128-V134 HydrophobicContact CG2-CB 4.49Å; T128-V134 HydrophobicContact CG2-CG1 4.01Å; T128-V134 HydrophobicContact CG2-CG2 4.2Å; T128-H135 PolarHBondContact O-NE2 3.33Å |
| 129 | R | 88.7 | Confident | 92.9 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 26% | 0.264 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | -38.4 | -176.8 | 178.5 | -166.8 | -106.8 | 119.1 | -6.1 | 114.4 | N125 E126 H135 I163 S164 | N125-R129 WeakPolarHBondContact O-CB 3.34Å; N125-R129 PolarHBondContact O-N 3.15Å; E126-R129 IonicContact OE2-CZ 3.59Å; E126-R129 IonicContact OE2-NH1 3.23Å; E126-R129 PolarHBondContact OE2-NH1 3.36Å; E126-R129 IonicContact OE2-NH2 2.58Å; R129-H135 PolarHBondContact O-CE1 3.23Å; R129-H135 PolarHBondContact O-NE2 3.47Å; R129-I163 HydrophobicContact CB-CD1 4.13Å; R129-I163 HydrophobicContact CG-CD1 4.39Å; R129-I163 PolarHBondContact NE-O 3.45Å; R129-I163 VanDerWaalsContact NH2-CB 3.28Å; R129-S164 WeakPolarHBondContact O-CB 3.41Å; R129-S164 PolarHBondContact O-OG 2.62Å |
| 130 | D | 87.4 | Confident | 92.7 | Very high | 123 Ų | 123 | 36.5 Ų | 36.5 | 66% | 0.658 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 1.2 | -173.3 | -57.8 | -44.3 | 0 | 0 | 0 | 112.4 | T128 L132 | T128-D130 PolarHBondContact O-N 2.96Å; D130-L132 PolarHBondContact O-N 3.27Å |
| 131 | H | 92.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 18% | 0.181 | 19% | 0.188 | C | C | . | . | trans | -90 | 99.4 | -173.8 | -168.3 | -69.9 | 0 | 0 | 0 | 111.9 | E96 I99 T128 G133 V134 H135 | E96-H131 IonicContact OE2-CD2 3.06Å; I99-H131 HydrophobicContact CD1-CB 3.87Å; I99-H131 WeakPolarHBondContact CG2-NE2 3.27Å; T128-H131 PolarHBondContact O-N 3.2Å; H131-G133 VanDerWaalsContact C-N 3.27Å; H131-G133 PolarHBondContact ND1-N 3.05Å; H131-G133 PolarHBondContact O-N 2.9Å; H131-G133 VanDerWaalsContact O-N 3.15Å; H131-V134 HydrophobicContact CB-CB 4.45Å; H131-V134 HydrophobicContact CB-CG2 4.31Å; H131-V134 PolarHBondContact ND1-N 3.32Å; H131-V134 PolarHBondContact O-N 3.48Å; H131-H135 PolarHBondContact O-CD2 3.11Å; H131-H135 PolarHBondContact O-N 3.39Å; H131-H135 VanDerWaalsContact O-N 3.13Å | ||
| 132 | L | 93 | Very high | 92.4 | Very high | 119 Ų | 119 | 38 Ų | 38 | 62% | 0.623 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -55 | -35.7 | -176.5 | -61.8 | 178.2 | 0 | 0 | 0 | 114.4 | D130 V134 H135 H136 V166 | D130-L132 PolarHBondContact O-N 3.27Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.12Å; L132-H135 WeakPolarHBondContact O-CB 3.33Å; L132-H135 PolarHBondContact O-N 2.84Å; L132-H136 PolarHBondContact O-N 2.84Å; L132-V166 HydrophobicContact CD2-CG1 3.87Å |
| 133 | G | 93.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -34.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H131 A137 | H131-G133 VanDerWaalsContact C-N 3.27Å; H131-G133 PolarHBondContact ND1-N 3.05Å; H131-G133 PolarHBondContact O-N 2.9Å; H131-G133 VanDerWaalsContact O-N 3.15Å; G133-A137 WeakPolarHBondContact O-CB 3.47Å; G133-A137 PolarHBondContact O-N 3.23Å; G133-A137 VanDerWaalsContact O-N 3.12Å |
| 134 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.2 | -40.3 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 109.3 | I99 L103 F121 T128 H131 L132 H136 A137 I138 | I99-V134 HydrophobicContact CG2-CG2 3.53Å; L103-V134 HydrophobicContact CD1-CG2 4.18Å; F121-V134 HydrophobicContact CB-CG1 3.76Å; F121-V134 HydrophobicContact CD1-CG1 4.02Å; F121-V134 HydrophobicContact CD1-CG2 4.05Å; F121-V134 HydrophobicContact CD2-CG1 3.68Å; F121-V134 HydrophobicContact CD2-CG2 4.36Å; F121-V134 HydrophobicContact CE1-CG2 3.8Å; F121-V134 HydrophobicContact CE2-CG1 4.21Å; F121-V134 HydrophobicContact CE2-CG2 4.11Å; F121-V134 HydrophobicContact CG-CG1 3.57Å; F121-V134 HydrophobicContact CG-CG2 4.33Å; F121-V134 HydrophobicContact CZ-CG2 3.83Å; T128-V134 HydrophobicContact CG2-CB 4.49Å; T128-V134 HydrophobicContact CG2-CG1 4.01Å; T128-V134 HydrophobicContact CG2-CG2 4.2Å; H131-V134 HydrophobicContact CB-CB 4.45Å; H131-V134 HydrophobicContact CB-CG2 4.31Å; H131-V134 PolarHBondContact ND1-N 3.32Å; H131-V134 PolarHBondContact O-N 3.48Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.12Å; V134-H136 PolarHBondContact O-N 2.98Å; V134-A137 PolarHBondContact O-N 3.14Å; V134-I138 HydrophobicContact CG1-CD1 3.79Å; V134-I138 HydrophobicContact CG1-CG1 4.35Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.22Å |
| 135 | H | 95.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.023 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.1 | -52.2 | 173.5 | -63.3 | -179.8 | 0 | 0 | 0 | 111 | T128 R129 H131 L132 A137 I138 L139 S164 F167 | T128-H135 PolarHBondContact O-NE2 3.33Å; R129-H135 PolarHBondContact O-CE1 3.23Å; R129-H135 PolarHBondContact O-NE2 3.47Å; H131-H135 PolarHBondContact O-CD2 3.11Å; H131-H135 PolarHBondContact O-N 3.39Å; H131-H135 VanDerWaalsContact O-N 3.13Å; L132-H135 WeakPolarHBondContact O-CB 3.33Å; L132-H135 PolarHBondContact O-N 2.84Å; H135-A137 VanDerWaalsContact C-N 3.32Å; H135-A137 PolarHBondContact O-N 2.94Å; H135-I138 PolarHBondContact O-N 3.46Å; H135-L139 WeakPolarHBondContact O-CB 3.32Å; H135-L139 VanDerWaalsContact O-CG 3.24Å; H135-L139 WeakPolarHBondContact O-CG 3.32Å; H135-L139 PolarHBondContact O-N 3.23Å; H135-S164 PolarHBondContact CE1-OG 2.95Å; H135-F167 HydrophobicContact CB-CD2 3.69Å; H135-F167 HydrophobicContact CB-CE2 4.22Å; H135-F167 AromaticContact CD2-CD2 3.59Å; H135-F167 AromaticContact CG-CD2 3.58Å |
| 136 | H | 94.8 | Very high | 91.9 | Very high | 126 Ų | 126 | 58.6 Ų | 58.6 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.7 | -43.6 | 178.9 | -174.8 | 65.4 | 0 | 0 | 0 | 112.2 | L132 V134 I138 L139 K140 | L132-H136 PolarHBondContact O-N 2.84Å; V134-H136 PolarHBondContact O-N 2.98Å; H136-I138 PolarHBondContact O-N 3.37Å; H136-L139 PolarHBondContact O-N 3.49Å; H136-K140 WeakPolarHBondContact O-CB 3.27Å; H136-K140 PolarHBondContact O-N 3.09Å |
| 137 | A | 94.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L103 T106 G133 V134 H135 Q141 | L103-A137 HydrophobicContact CD1-CB 4.49Å; T106-A137 HydrophobicContact CG2-CB 3.8Å; G133-A137 WeakPolarHBondContact O-CB 3.47Å; G133-A137 PolarHBondContact O-N 3.23Å; G133-A137 VanDerWaalsContact O-N 3.12Å; V134-A137 PolarHBondContact O-N 3.14Å; H135-A137 VanDerWaalsContact C-N 3.32Å; H135-A137 PolarHBondContact O-N 2.94Å; A137-Q141 WeakPolarHBondContact O-CG 3.42Å |
| 138 | I | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.5 | -49.3 | 176.8 | -64.9 | 166 | 0 | 0 | 0 | 110.3 | L118 F121 V134 H135 H136 K140 Q141 A156 C157 V160 F167 | L118-I138 HydrophobicContact CD2-CB 4.48Å; L118-I138 HydrophobicContact CD2-CG1 3.91Å; F121-I138 HydrophobicContact CB-CD1 4.44Å; V134-I138 HydrophobicContact CG1-CD1 3.79Å; V134-I138 HydrophobicContact CG1-CG1 4.35Å; V134-I138 WeakPolarHBondContact O-CG1 3.32Å; V134-I138 PolarHBondContact O-N 3.22Å; H135-I138 PolarHBondContact O-N 3.46Å; H136-I138 PolarHBondContact O-N 3.37Å; I138-K140 PolarHBondContact O-N 3.47Å; I138-Q141 PolarHBondContact O-N 2.89Å; I138-A156 HydrophobicContact CD1-CB 4.06Å; I138-A156 HydrophobicContact CG1-CB 4.24Å; I138-A156 HydrophobicContact CG2-CB 4.08Å; I138-C157 VanDerWaalsContact CG2-SG 3.54Å; I138-V160 HydrophobicContact CD1-CG2 4.16Å; I138-F167 HydrophobicContact CB-CE2 4.09Å; I138-F167 HydrophobicContact CB-CZ 4.25Å; I138-F167 HydrophobicContact CD1-CE2 4.43Å; I138-F167 HydrophobicContact CG2-CE2 4.1Å; I138-F167 HydrophobicContact CG2-CZ 3.74Å |
| 139 | L | 95.1 | Very high | 92.6 | Very high | 19 Ų | 19 | 65.2 Ų | 65.2 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | -176.6 | -67.3 | 176.8 | 0 | 0 | 0 | 112.3 | H135 H136 Q141 I142 F167 L171 I174 | H135-L139 WeakPolarHBondContact O-CB 3.32Å; H135-L139 VanDerWaalsContact O-CG 3.24Å; H135-L139 WeakPolarHBondContact O-CG 3.32Å; H135-L139 PolarHBondContact O-N 3.23Å; H136-L139 PolarHBondContact O-N 3.49Å; L139-Q141 PolarHBondContact O-N 3.25Å; L139-I142 HydrophobicContact CD2-CD1 4.03Å; L139-I142 PolarHBondContact O-N 3.3Å; L139-F167 HydrophobicContact CD1-CE2 4.43Å; L139-F167 HydrophobicContact CD2-CE1 4.47Å; L139-F167 HydrophobicContact CD2-CE2 3.81Å; L139-F167 HydrophobicContact CD2-CZ 3.74Å; L139-F167 HydrophobicContact CG-CE2 3.81Å; L139-F167 HydrophobicContact CG-CZ 4.24Å; L139-L171 HydrophobicContact CD2-CB 3.86Å; L139-L171 HydrophobicContact CD2-CD1 3.6Å; L139-L171 HydrophobicContact CD2-CG 4.28Å; L139-I174 HydrophobicContact CB-CD1 3.92Å; L139-I174 HydrophobicContact CD1-CD1 4.08Å; L139-I174 HydrophobicContact CD2-CD1 4.12Å; L139-I174 HydrophobicContact CG-CD1 4.25Å |
| 140 | K | 92.4 | Very high | 92.8 | Very high | 122 Ų | 122 | 62.9 Ų | 62.9 | 53% | 0.53 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -32.9 | 179 | -178.9 | 179.4 | 176.5 | -176 | 0 | 112.6 | H136 I138 | H136-K140 WeakPolarHBondContact O-CB 3.27Å; H136-K140 PolarHBondContact O-N 3.09Å; I138-K140 PolarHBondContact O-N 3.47Å |
| 141 | Q | 94.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.4 | -172.2 | -60.2 | -62.4 | 18.1 | 0 | 0 | 114.7 | L118 A137 I138 L139 E143 S144 E149 S150 A153 | L118-Q141 HydrophobicContact CD1-CB 3.8Å; L118-Q141 HydrophobicContact CD1-CG 4.14Å; A137-Q141 WeakPolarHBondContact O-CG 3.42Å; I138-Q141 PolarHBondContact O-N 2.89Å; L139-Q141 PolarHBondContact O-N 3.25Å; Q141-E143 VanDerWaalsContact C-N 3.27Å; Q141-E143 PolarHBondContact O-N 3.39Å; Q141-S144 WeakPolarHBondContact O-CB 3.09Å; Q141-S144 PolarHBondContact O-N 2.9Å; Q141-E149 HydrophobicContact CB-CG 4.08Å; Q141-E149 HydrophobicContact CG-CG 4.4Å; Q141-E149 PolarHBondContact NE2-OE1 2.86Å; Q141-E149 PolarHBondContact OE1-OE1 3.28Å; Q141-S150 WeakPolarHBondContact O-CA 3.33Å; Q141-A153 HydrophobicContact CB-CB 4.15Å |
| 142 | I | 91.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.4 | 174 | -63.6 | 174.2 | 0 | 0 | 0 | 110.8 | L139 S144 S150 A153 L171 I178 L192 | L139-I142 HydrophobicContact CD2-CD1 4.03Å; L139-I142 PolarHBondContact O-N 3.3Å; I142-S144 VanDerWaalsContact C-N 3.32Å; I142-S150 WeakPolarHBondContact O-CB 2.59Å; I142-A153 HydrophobicContact CG1-CB 4.2Å; I142-L171 HydrophobicContact CD1-CD1 3.56Å; I142-I178 HydrophobicContact CG2-CD1 3.96Å; I142-L192 HydrophobicContact CG2-CD1 4.45Å; I142-L192 HydrophobicContact CG2-CD2 3.84Å |
| 143 | E | 88.5 | Confident | 93.5 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 21.7 | 179.1 | -60.5 | -177.3 | 105.2 | 0 | 0 | 112.5 | Q141 I178 | Q141-E143 VanDerWaalsContact C-N 3.27Å; Q141-E143 PolarHBondContact O-N 3.39Å; E143-I178 HydrophobicContact CG-CD1 3.67Å; E143-I178 HydrophobicContact CG-CG1 4.22Å |
| 144 | S | 91.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | trans | -61.7 | 141.8 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | Q141 I142 Y146 E149 | Q141-S144 WeakPolarHBondContact O-CB 3.09Å; Q141-S144 PolarHBondContact O-N 2.9Å; I142-S144 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 3.1Å; S144-Y146 PolarHBondContact OG-N 3.47Å; S144-E149 PolarHBondContact OG-OE2 3.04Å | ||
| 145 | H | 89.6 | Confident | 93.6 | Very high | 191 Ų | 191 | 55.9 Ų | 55.9 | 88% | 0.884 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -68.1 | -16.3 | 172.9 | -62.6 | -60.3 | 0 | 0 | 0 | 113.2 | ||
| 146 | Y | 93.5 | Very high | 93.6 | Very high | 128 Ų | 128 | 55.6 Ų | 55.6 | 50% | 0.502 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -94.3 | 111.7 | 178.1 | -62.8 | -79.7 | 0 | 0 | 0 | 110.1 | P111 R114 S144 V148 E149 S150 | P111-Y146 HydrophobicContact CB-CD1 3.92Å; P111-Y146 HydrophobicContact CB-CD2 3.97Å; P111-Y146 HydrophobicContact CB-CE1 4.32Å; P111-Y146 HydrophobicContact CB-CE2 4.36Å; P111-Y146 HydrophobicContact CB-CG 3.73Å; P111-Y146 HydrophobicContact CG-CD1 4.02Å; P111-Y146 HydrophobicContact CG-CE1 4.06Å; P111-Y146 HydrophobicContact CG-CG 4.33Å; R114-Y146 VanDerWaalsContact NH2-CD2 3.33Å; S144-Y146 PolarHBondContact O-N 3.1Å; S144-Y146 PolarHBondContact OG-N 3.47Å; Y146-V148 VanDerWaalsContact C-N 3.26Å; Y146-V148 PolarHBondContact O-N 3.08Å; Y146-V148 VanDerWaalsContact O-N 3.17Å; Y146-E149 WeakPolarHBondContact O-CA 3.49Å; Y146-E149 WeakPolarHBondContact O-CB 3.44Å; Y146-E149 PolarHBondContact O-N 3.2Å; Y146-S150 PolarHBondContact O-N 3.13Å; Y146-S150 PolarHBondContact O-OG 3.46Å |
| 147 | E | 91.3 | Very high | 93.7 | Very high | 131 Ų | 131 | 49.6 Ų | 49.6 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -54 | -40.1 | -177.4 | -172.2 | 180 | -173 | 0 | 0 | 113.1 | E149 S150 D151 | E147-E149 PolarHBondContact O-N 3.45Å; E147-S150 WeakPolarHBondContact CA-OG 3.34Å; E147-S150 PolarHBondContact O-N 3.09Å; E147-S150 PolarHBondContact O-OG 2.84Å; E147-D151 WeakPolarHBondContact O-CB 3.48Å; E147-D151 PolarHBondContact O-N 3.06Å |
| 148 | V | 92.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 54% | 0.539 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.3 | -34.1 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | A115 Y146 A152 | A115-V148 HydrophobicContact CB-CG1 3.92Å; A115-V148 WeakPolarHBondContact CB-O 3.28Å; Y146-V148 VanDerWaalsContact C-N 3.26Å; Y146-V148 PolarHBondContact O-N 3.08Å; Y146-V148 VanDerWaalsContact O-N 3.17Å; V148-A152 VanDerWaalsContact O-CB 3.32Å; V148-A152 WeakPolarHBondContact O-CB 3.29Å; V148-A152 PolarHBondContact O-N 3.24Å |
| 149 | E | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -78.8 | -46.7 | 178.8 | 177.8 | 172.8 | -146.8 | 0 | 0 | 111.5 | R114 A115 L118 Q141 S144 Y146 E147 D151 A152 A153 | R114-E149 WeakPolarHBondContact CB-OE1 3.34Å; R114-E149 VanDerWaalsContact CD-OE1 3.31Å; R114-E149 WeakPolarHBondContact CD-OE1 3.4Å; R114-E149 IonicContact CZ-OE1 3.71Å; R114-E149 IonicContact CZ-OE2 3.49Å; R114-E149 VanDerWaalsContact NE-CD 3.32Å; R114-E149 IonicContact NE-OE1 2.73Å; R114-E149 PolarHBondContact NE-OE1 3.03Å; R114-E149 IonicContact NE-OE2 3.27Å; R114-E149 PolarHBondContact NE-OE2 2.85Å; R114-E149 IonicContact NH2-OE1 3.79Å; R114-E149 IonicContact NH2-OE2 2.81Å; R114-E149 PolarHBondContact NH2-OE2 3.44Å; A115-E149 HydrophobicContact CB-CB 4.45Å; L118-E149 HydrophobicContact CD1-CG 4.17Å; Q141-E149 HydrophobicContact CB-CG 4.08Å; Q141-E149 HydrophobicContact CG-CG 4.4Å; Q141-E149 PolarHBondContact NE2-OE1 2.86Å; Q141-E149 PolarHBondContact OE1-OE1 3.28Å; S144-E149 PolarHBondContact OG-OE2 3.04Å; Y146-E149 WeakPolarHBondContact O-CA 3.49Å; Y146-E149 WeakPolarHBondContact O-CB 3.44Å; Y146-E149 PolarHBondContact O-N 3.2Å; E147-E149 PolarHBondContact O-N 3.45Å; E149-D151 VanDerWaalsContact C-N 3.35Å; E149-D151 PolarHBondContact O-N 3.13Å; E149-A152 WeakPolarHBondContact O-CB 3.49Å; E149-A152 PolarHBondContact O-N 2.81Å; E149-A153 PolarHBondContact O-N 3.2Å |
| 150 | S | 93.2 | Very high | 93.7 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 176 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | Q141 I142 Y146 E147 A152 A153 V154 | Q141-S150 WeakPolarHBondContact O-CA 3.33Å; I142-S150 WeakPolarHBondContact O-CB 2.59Å; Y146-S150 PolarHBondContact O-N 3.13Å; Y146-S150 PolarHBondContact O-OG 3.46Å; E147-S150 WeakPolarHBondContact CA-OG 3.34Å; E147-S150 PolarHBondContact O-N 3.09Å; E147-S150 PolarHBondContact O-OG 2.84Å; S150-A152 VanDerWaalsContact C-N 3.32Å; S150-A152 PolarHBondContact O-N 3.06Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.38Å; S150-V154 VanDerWaalsContact O-CG2 3.32Å; S150-V154 WeakPolarHBondContact O-CG2 3.47Å; S150-V154 PolarHBondContact O-N 3.31Å |
| 151 | D | 94.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 174.9 | -82.4 | -14.1 | 0 | 0 | 0 | 111.9 | E147 E149 W155 K191 | E147-D151 WeakPolarHBondContact O-CB 3.48Å; E147-D151 PolarHBondContact O-N 3.06Å; E149-D151 VanDerWaalsContact C-N 3.35Å; E149-D151 PolarHBondContact O-N 3.13Å; D151-W155 VanDerWaalsContact O-CB 3.28Å; D151-W155 WeakPolarHBondContact O-CB 3.35Å; D151-W155 PolarHBondContact O-N 2.97Å; D151-K191 IonicContact OD1-NZ 3.75Å; D151-K191 PolarHBondContact OD1-NZ 3.5Å; D151-K191 IonicContact OD2-NZ 3.57Å |
| 152 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A115 L118 R119 V148 E149 S150 W155 A156 | A115-A152 HydrophobicContact CB-CB 3.86Å; A115-A152 WeakPolarHBondContact O-CB 3.44Å; L118-A152 HydrophobicContact CB-CB 4.2Å; R119-A152 HydrophobicContact CG-CB 3.74Å; V148-A152 VanDerWaalsContact O-CB 3.32Å; V148-A152 WeakPolarHBondContact O-CB 3.29Å; V148-A152 PolarHBondContact O-N 3.24Å; E149-A152 WeakPolarHBondContact O-CB 3.49Å; E149-A152 PolarHBondContact O-N 2.81Å; S150-A152 VanDerWaalsContact C-N 3.32Å; S150-A152 PolarHBondContact O-N 3.06Å; A152-W155 PolarHBondContact O-N 2.67Å; A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 2.78Å |
| 153 | A | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L118 Q141 I142 E149 S150 W155 A156 C157 | L118-A153 HydrophobicContact CD1-CB 4.02Å; Q141-A153 HydrophobicContact CB-CB 4.15Å; I142-A153 HydrophobicContact CG1-CB 4.2Å; E149-A153 PolarHBondContact O-N 3.2Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.38Å; A153-W155 VanDerWaalsContact C-N 3.34Å; A153-W155 PolarHBondContact O-N 2.77Å; A153-A156 PolarHBondContact O-N 2.96Å; A153-C157 PolarHBondContact O-N 3.24Å; A153-C157 PolarHBondContact O-SG 2.95Å |
| 154 | V | 95.7 | Very high | 94.1 | Very high | 17 Ų | 17 | 42 Ų | 42 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | S150 A156 C157 H158 L192 L195 | S150-V154 VanDerWaalsContact O-CG2 3.32Å; S150-V154 WeakPolarHBondContact O-CG2 3.47Å; S150-V154 PolarHBondContact O-N 3.31Å; V154-A156 PolarHBondContact O-N 3.5Å; V154-C157 WeakPolarHBondContact O-CB 3.41Å; V154-C157 PolarHBondContact O-N 3.26Å; V154-H158 PolarHBondContact O-N 3.34Å; V154-L192 HydrophobicContact CG2-CD2 3.58Å; V154-L195 HydrophobicContact CG1-CD1 4.33Å |
| 155 | W | 95.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 44.1 Ų | 44.1 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.2 | -176 | 90.1 | 0 | 0 | 0 | 111.9 | R119 I123 D151 A152 A153 C157 H158 T159 | R119-W155 HydrophobicContact CB-CE3 4.35Å; R119-W155 HydrophobicContact CB-CZ3 4.37Å; R119-W155 HydrophobicContact CG-CE3 4.2Å; R119-W155 VanDerWaalsContact O-CZ3 3.31Å; R119-W155 WeakPolarHBondContact O-CZ3 3.37Å; I123-W155 HydrophobicContact CG1-CH2 3.72Å; I123-W155 HydrophobicContact CG1-CZ3 4.21Å; D151-W155 VanDerWaalsContact O-CB 3.28Å; D151-W155 WeakPolarHBondContact O-CB 3.35Å; D151-W155 PolarHBondContact O-N 2.97Å; A152-W155 PolarHBondContact O-N 2.67Å; A153-W155 VanDerWaalsContact C-N 3.34Å; A153-W155 PolarHBondContact O-N 2.77Å; W155-C157 VanDerWaalsContact C-N 3.31Å; W155-C157 PolarHBondContact O-N 3.04Å; W155-H158 WeakPolarHBondContact O-CB 3.31Å; W155-H158 PolarHBondContact O-N 3.16Å; W155-H158 VanDerWaalsContact O-N 3.17Å; W155-T159 HydrophobicContact CD2-CG2 4.4Å; W155-T159 HydrophobicContact CE3-CG2 4.29Å; W155-T159 HydrophobicContact CH2-CG2 3.82Å; W155-T159 HydrophobicContact CZ2-CG2 3.95Å; W155-T159 HydrophobicContact CZ3-CG2 4Å; W155-T159 PolarHBondContact O-N 3.42Å |
| 156 | A | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I138 A152 A153 V154 H158 T159 V160 | I138-A156 HydrophobicContact CD1-CB 4.06Å; I138-A156 HydrophobicContact CG1-CB 4.24Å; I138-A156 HydrophobicContact CG2-CB 4.08Å; A152-A156 WeakPolarHBondContact O-CB 3.43Å; A152-A156 PolarHBondContact O-N 2.78Å; A153-A156 PolarHBondContact O-N 2.96Å; V154-A156 PolarHBondContact O-N 3.5Å; A156-H158 VanDerWaalsContact C-N 3.32Å; A156-H158 PolarHBondContact O-N 3.2Å; A156-T159 PolarHBondContact O-N 3.38Å; A156-T159 VanDerWaalsContact O-N 3.11Å; A156-T159 PolarHBondContact O-OG1 3.25Å; A156-V160 WeakPolarHBondContact O-CG2 3.28Å; A156-V160 PolarHBondContact O-N 2.87Å |
| 157 | C | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 172.6 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | I138 A153 V154 W155 T159 V160 A161 F167 L171 L195 | I138-C157 VanDerWaalsContact CG2-SG 3.54Å; A153-C157 PolarHBondContact O-N 3.24Å; A153-C157 PolarHBondContact O-SG 2.95Å; V154-C157 WeakPolarHBondContact O-CB 3.41Å; V154-C157 PolarHBondContact O-N 3.26Å; W155-C157 VanDerWaalsContact C-N 3.31Å; W155-C157 PolarHBondContact O-N 3.04Å; C157-T159 PolarHBondContact O-N 2.87Å; C157-V160 PolarHBondContact O-N 3.49Å; C157-A161 WeakPolarHBondContact O-CB 3.46Å; C157-A161 PolarHBondContact O-N 3.31Å; C157-F167 HydrophobicContact CB-CE1 4.12Å; C157-F167 HydrophobicContact CB-CZ 4.35Å; C157-L171 HydrophobicContact CB-CD2 4.09Å; C157-L195 HydrophobicContact CB-CD1 3.98Å; C157-L195 HydrophobicContact CB-CD2 3.53Å; C157-L195 HydrophobicContact CB-CG 4.44Å |
| 158 | H | 95.4 | Very high | 94.7 | Very high | 56 Ų | 56 | 26 Ų | 26 | 26% | 0.259 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63 | -22.1 | 176.9 | -82.9 | -58.5 | 0 | 0 | 0 | 114 | V154 W155 A156 P162 L195 H198 | V154-H158 PolarHBondContact O-N 3.34Å; W155-H158 WeakPolarHBondContact O-CB 3.31Å; W155-H158 PolarHBondContact O-N 3.16Å; W155-H158 VanDerWaalsContact O-N 3.17Å; A156-H158 VanDerWaalsContact C-N 3.32Å; A156-H158 PolarHBondContact O-N 3.2Å; H158-P162 WeakPolarHBondContact O-CD 3.28Å; H158-P162 WeakPolarHBondContact O-CG 3.41Å; H158-L195 HydrophobicContact CB-CD2 4.31Å; H158-L195 VanDerWaalsContact CE1-CD2 3.49Å; H158-L195 WeakPolarHBondContact CE1-CD2 3.48Å; H158-L195 WeakPolarHBondContact ND1-CD2 3.36Å; H158-H198 AromaticContact ND1-CD2 3.6Å; H158-H198 AromaticContact ND1-NE2 3.2Å; H158-H198 PolarHBondContact ND1-NE2 2.97Å; H158-H198 VanDerWaalsContact ND1-NE2 3.2Å; H158-H198 PolarHBondContact O-NE2 3.34Å |
| 159 | T | 94.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -95.6 | -31.4 | 178.1 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | G122 N125 W155 A156 C157 | G122-T159 VanDerWaalsContact C-OG1 3.31Å; G122-T159 WeakPolarHBondContact CA-OG1 3.38Å; G122-T159 VanDerWaalsContact O-CB 3.24Å; G122-T159 WeakPolarHBondContact O-CB 3.44Å; G122-T159 PolarHBondContact O-OG1 3.41Å; N125-T159 PolarHBondContact ND2-O 2.88Å; W155-T159 HydrophobicContact CD2-CG2 4.4Å; W155-T159 HydrophobicContact CE3-CG2 4.29Å; W155-T159 HydrophobicContact CH2-CG2 3.82Å; W155-T159 HydrophobicContact CZ2-CG2 3.95Å; W155-T159 HydrophobicContact CZ3-CG2 4Å; W155-T159 PolarHBondContact O-N 3.42Å; A156-T159 PolarHBondContact O-N 3.38Å; A156-T159 VanDerWaalsContact O-N 3.11Å; A156-T159 PolarHBondContact O-OG1 3.25Å; C157-T159 PolarHBondContact O-N 2.87Å |
| 160 | V | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -90.7 | -41.6 | -177.8 | -179 | 0 | 0 | 0 | 0 | 112.2 | N125 I138 A156 C157 I163 S164 F167 | N125-V160 HydrophobicContact CB-CG2 4.03Å; I138-V160 HydrophobicContact CD1-CG2 4.16Å; A156-V160 WeakPolarHBondContact O-CG2 3.28Å; A156-V160 PolarHBondContact O-N 2.87Å; C157-V160 PolarHBondContact O-N 3.49Å; V160-I163 WeakPolarHBondContact O-CG1 3.29Å; V160-I163 PolarHBondContact O-N 3.03Å; V160-S164 PolarHBondContact O-N 3.2Å; V160-F167 HydrophobicContact CB-CD1 4.17Å; V160-F167 HydrophobicContact CB-CE1 4.29Å; V160-F167 HydrophobicContact CB-CG 4.41Å; V160-F167 HydrophobicContact CG1-CB 3.96Å; V160-F167 HydrophobicContact CG1-CD1 3.91Å; V160-F167 HydrophobicContact CG1-CD2 4.05Å; V160-F167 HydrophobicContact CG1-CE1 4.43Å; V160-F167 HydrophobicContact CG1-CG 3.69Å |
| 161 | A | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C157 I163 F167 L171 H198 M199 H201 | C157-A161 WeakPolarHBondContact O-CB 3.46Å; C157-A161 PolarHBondContact O-N 3.31Å; A161-I163 PolarHBondContact O-N 3.21Å; A161-F167 HydrophobicContact CB-CD1 3.89Å; A161-F167 HydrophobicContact CB-CE1 4.12Å; A161-L171 HydrophobicContact CB-CD2 4.23Å; A161-H198 HydrophobicContact CB-CB 3.63Å; A161-M199 HydrophobicContact CB-CE 4.04Å; A161-H201 PolarHBondContact O-CD2 3.39Å; A161-H201 PolarHBondContact O-NE2 2.73Å |
| 162 | P | 94.1 | Very high | 95 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 24% | 0.24 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20.6 | 177.6 | -14 | 24.1 | 0 | 0 | 0 | 113.8 | H158 H201 | H158-P162 WeakPolarHBondContact O-CD 3.28Å; H158-P162 WeakPolarHBondContact O-CG 3.41Å; P162-H201 PolarHBondContact O-CE1 3.43Å; P162-H201 PolarHBondContact O-NE2 3.26Å |
| 163 | I | 92 | Very high | 94.9 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -29.5 | -170.8 | 59.1 | 159.2 | 0 | 0 | 0 | 113.5 | N125 R129 V160 A161 | N125-I163 VanDerWaalsContact C-CD1 3.45Å; N125-I163 HydrophobicContact CB-CD1 3.63Å; N125-I163 WeakPolarHBondContact ND2-CD1 3.2Å; N125-I163 WeakPolarHBondContact O-CD1 3.48Å; R129-I163 HydrophobicContact CB-CD1 4.13Å; R129-I163 HydrophobicContact CG-CD1 4.39Å; R129-I163 PolarHBondContact NE-O 3.45Å; R129-I163 VanDerWaalsContact NH2-CB 3.28Å; V160-I163 WeakPolarHBondContact O-CG1 3.29Å; V160-I163 PolarHBondContact O-N 3.03Å; A161-I163 PolarHBondContact O-N 3.21Å |
| 164 | S | 94.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | trans | -106.9 | 114.2 | -177.7 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | R129 H135 V160 F167 A168 | R129-S164 WeakPolarHBondContact O-CB 3.41Å; R129-S164 PolarHBondContact O-OG 2.62Å; H135-S164 PolarHBondContact CE1-OG 2.95Å; V160-S164 PolarHBondContact O-N 3.2Å; S164-F167 PolarHBondContact O-N 2.88Å; S164-F167 WeakPolarHBondContact OG-CB 3.43Å; S164-F167 PolarHBondContact OG-N 3.36Å; S164-F167 VanDerWaalsContact OG-N 3.15Å; S164-A168 PolarHBondContact O-N 3.22Å | ||
| 165 | S | 93.7 | Very high | 94.6 | Very high | 63 Ų | 63 | 26.5 Ų | 26.5 | 44% | 0.441 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.1 | 59.5 | 0 | 0 | 0 | 0 | 112 | A168 A169 | S165-A168 PolarHBondContact O-N 3.24Å; S165-A169 WeakPolarHBondContact O-CB 3.25Å; S165-A169 PolarHBondContact O-N 2.89Å |
| 166 | V | 94.2 | Very high | 94.5 | Very high | 69 Ų | 69 | 22.6 Ų | 22.6 | 42% | 0.418 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 111 | L132 S170 | L132-V166 HydrophobicContact CD2-CG1 3.87Å; V166-S170 PolarHBondContact O-N 2.69Å; V166-S170 PolarHBondContact O-OG 3.38Å |
| 167 | F | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -43.8 | 175.8 | -173.7 | -96.9 | 0 | 0 | 0 | 111.5 | H135 I138 L139 C157 V160 A161 S164 A169 S170 L171 | H135-F167 HydrophobicContact CB-CD2 3.69Å; H135-F167 HydrophobicContact CB-CE2 4.22Å; H135-F167 AromaticContact CD2-CD2 3.59Å; H135-F167 AromaticContact CG-CD2 3.58Å; I138-F167 HydrophobicContact CB-CE2 4.09Å; I138-F167 HydrophobicContact CB-CZ 4.25Å; I138-F167 HydrophobicContact CD1-CE2 4.43Å; I138-F167 HydrophobicContact CG2-CE2 4.1Å; I138-F167 HydrophobicContact CG2-CZ 3.74Å; L139-F167 HydrophobicContact CD1-CE2 4.43Å; L139-F167 HydrophobicContact CD2-CE1 4.47Å; L139-F167 HydrophobicContact CD2-CE2 3.81Å; L139-F167 HydrophobicContact CD2-CZ 3.74Å; L139-F167 HydrophobicContact CG-CE2 3.81Å; L139-F167 HydrophobicContact CG-CZ 4.24Å; C157-F167 HydrophobicContact CB-CE1 4.12Å; C157-F167 HydrophobicContact CB-CZ 4.35Å; V160-F167 HydrophobicContact CB-CD1 4.17Å; V160-F167 HydrophobicContact CB-CE1 4.29Å; V160-F167 HydrophobicContact CB-CG 4.41Å; V160-F167 HydrophobicContact CG1-CB 3.96Å; V160-F167 HydrophobicContact CG1-CD1 3.91Å; V160-F167 HydrophobicContact CG1-CD2 4.05Å; V160-F167 HydrophobicContact CG1-CE1 4.43Å; V160-F167 HydrophobicContact CG1-CG 3.69Å; A161-F167 HydrophobicContact CB-CD1 3.89Å; A161-F167 HydrophobicContact CB-CE1 4.12Å; S164-F167 PolarHBondContact O-N 2.88Å; S164-F167 WeakPolarHBondContact OG-CB 3.43Å; S164-F167 PolarHBondContact OG-N 3.36Å; S164-F167 VanDerWaalsContact OG-N 3.15Å; F167-A169 PolarHBondContact O-N 3.43Å; F167-S170 WeakPolarHBondContact CA-OG 3.47Å; F167-S170 PolarHBondContact O-N 3.44Å; F167-S170 PolarHBondContact O-OG 3.34Å; F167-L171 HydrophobicContact CE1-CB 4.43Å; F167-L171 HydrophobicContact CE1-CD2 3.91Å; F167-L171 VanDerWaalsContact O-CB 3.3Å; F167-L171 WeakPolarHBondContact O-CB 3.3Å; F167-L171 PolarHBondContact O-N 3.49Å |
| 168 | A | 94.8 | Very high | 94 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | S164 S165 S170 L171 C172 M199 | S164-A168 PolarHBondContact O-N 3.22Å; S165-A168 PolarHBondContact O-N 3.24Å; A168-S170 VanDerWaalsContact C-N 3.29Å; A168-S170 PolarHBondContact O-N 2.86Å; A168-L171 PolarHBondContact O-N 3.4Å; A168-C172 PolarHBondContact O-N 2.99Å; A168-M199 HydrophobicContact CB-CE 3.7Å; A168-M199 HydrophobicContact CB-SD 4.08Å |
| 169 | A | 94.3 | Very high | 93.8 | Very high | 41 Ų | 41 | 27.2 Ų | 27.2 | 34% | 0.339 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62 | -34.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S165 F167 P173 V205 | S165-A169 WeakPolarHBondContact O-CB 3.25Å; S165-A169 PolarHBondContact O-N 2.89Å; F167-A169 PolarHBondContact O-N 3.43Å; A169-P173 WeakPolarHBondContact O-CD 3.32Å; A169-V205 HydrophobicContact CB-CG2 3.96Å |
| 170 | S | 93.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -81.7 | -29 | 176.4 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | V166 F167 A168 | V166-S170 PolarHBondContact O-N 2.69Å; V166-S170 PolarHBondContact O-OG 3.38Å; F167-S170 WeakPolarHBondContact CA-OG 3.47Å; F167-S170 PolarHBondContact O-N 3.44Å; F167-S170 PolarHBondContact O-OG 3.34Å; A168-S170 VanDerWaalsContact C-N 3.29Å; A168-S170 PolarHBondContact O-N 2.86Å |
| 171 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.7 | -39.1 | 175.9 | 178.7 | 58.5 | 0 | 0 | 0 | 112.6 | L139 I142 C157 A161 F167 A168 I174 L175 L195 M199 | L139-L171 HydrophobicContact CD2-CB 3.86Å; L139-L171 HydrophobicContact CD2-CD1 3.6Å; L139-L171 HydrophobicContact CD2-CG 4.28Å; I142-L171 HydrophobicContact CD1-CD1 3.56Å; C157-L171 HydrophobicContact CB-CD2 4.09Å; A161-L171 HydrophobicContact CB-CD2 4.23Å; F167-L171 HydrophobicContact CE1-CB 4.43Å; F167-L171 HydrophobicContact CE1-CD2 3.91Å; F167-L171 VanDerWaalsContact O-CB 3.3Å; F167-L171 WeakPolarHBondContact O-CB 3.3Å; F167-L171 PolarHBondContact O-N 3.49Å; A168-L171 PolarHBondContact O-N 3.4Å; L171-I174 WeakPolarHBondContact O-CB 3.47Å; L171-I174 PolarHBondContact O-N 3.31Å; L171-I174 VanDerWaalsContact O-N 3.15Å; L171-L175 HydrophobicContact CD1-CD1 4.18Å; L171-L175 HydrophobicContact CD1-CD2 4.12Å; L171-L175 HydrophobicContact CD1-CG 3.79Å; L171-L175 HydrophobicContact CD2-CD1 4.07Å; L171-L175 HydrophobicContact CG-CD1 3.68Å; L171-L175 HydrophobicContact CG-CG 3.82Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L195 HydrophobicContact CD2-CD1 4.5Å; L171-M199 HydrophobicContact CB-CE 4.47Å; L171-M199 HydrophobicContact CD2-CE 3.94Å; L171-M199 HydrophobicContact CG-CE 4.4Å |
| 172 | C | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -50.1 | -55.9 | -177.2 | -175.9 | 0 | 0 | 0 | 0 | 114.8 | A168 I174 L175 C176 M199 V205 E208 | A168-C172 PolarHBondContact O-N 2.99Å; C172-I174 PolarHBondContact O-N 3.19Å; C172-L175 WeakPolarHBondContact O-CB 3.42Å; C172-L175 PolarHBondContact O-N 3.42Å; C172-L175 VanDerWaalsContact O-N 3.11Å; C172-C176 PolarHBondContact O-N 2.94Å; C172-C176 PolarHBondContact O-SG 3.42Å; C172-C176 VanDerWaalsContact O-SG 3.36Å; C172-M199 HydrophobicContact CB-SD 3.86Å; C172-V205 HydrophobicContact CB-CG1 3.41Å; C172-V205 VanDerWaalsContact CB-CG1 3.41Å; C172-E208 PolarHBondContact SG-OE2 3Å |
| 173 | P | 94 | Very high | 92.1 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.8 | -32.1 | -179.1 | 24.1 | -35.2 | 0 | 0 | 0 | 112.6 | A169 K177 | A169-P173 WeakPolarHBondContact O-CD 3.32Å; P173-K177 VanDerWaalsContact O-CB 3.31Å; P173-K177 WeakPolarHBondContact O-CB 3.32Å; P173-K177 PolarHBondContact O-N 3.15Å |
| 174 | I | 93.1 | Very high | 91.8 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -46.4 | 175.6 | -61.9 | 171.4 | 0 | 0 | 0 | 109.9 | L139 L171 C172 K177 I178 | L139-I174 HydrophobicContact CB-CD1 3.92Å; L139-I174 HydrophobicContact CD1-CD1 4.08Å; L139-I174 HydrophobicContact CD2-CD1 4.12Å; L139-I174 HydrophobicContact CG-CD1 4.25Å; L171-I174 WeakPolarHBondContact O-CB 3.47Å; L171-I174 PolarHBondContact O-N 3.31Å; L171-I174 VanDerWaalsContact O-N 3.15Å; C172-I174 PolarHBondContact O-N 3.19Å; I174-K177 PolarHBondContact O-N 3.35Å; I174-I178 HydrophobicContact CG2-CD1 3.68Å; I174-I178 HydrophobicContact CG2-CG1 4.42Å; I174-I178 VanDerWaalsContact O-CG1 3.27Å; I174-I178 WeakPolarHBondContact O-CG1 3.25Å; I174-I178 PolarHBondContact O-N 3.3Å |
| 175 | L | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -50.4 | 175.6 | -71.5 | 176.1 | 0 | 0 | 0 | 111.3 | L171 C172 K177 I178 L179 L192 L195 I209 | L171-L175 HydrophobicContact CD1-CD1 4.18Å; L171-L175 HydrophobicContact CD1-CD2 4.12Å; L171-L175 HydrophobicContact CD1-CG 3.79Å; L171-L175 HydrophobicContact CD2-CD1 4.07Å; L171-L175 HydrophobicContact CG-CD1 3.68Å; L171-L175 HydrophobicContact CG-CG 3.82Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.47Å; C172-L175 WeakPolarHBondContact O-CB 3.42Å; C172-L175 PolarHBondContact O-N 3.42Å; C172-L175 VanDerWaalsContact O-N 3.11Å; L175-K177 VanDerWaalsContact C-N 3.28Å; L175-K177 PolarHBondContact O-N 3.43Å; L175-I178 PolarHBondContact O-N 3.24Å; L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 3.32Å; L175-L192 HydrophobicContact CD2-CB 4.15Å; L175-L192 HydrophobicContact CD2-CD2 4.29Å; L175-L195 HydrophobicContact CD1-CB 3.8Å; L175-L195 HydrophobicContact CD2-CB 4.24Å; L175-L195 HydrophobicContact CD2-CD1 3.9Å; L175-I209 HydrophobicContact CB-CD1 4.35Å |
| 176 | C | 93.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.088 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 179.1 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | C172 N180 C212 | C172-C176 PolarHBondContact O-N 2.94Å; C172-C176 PolarHBondContact O-SG 3.42Å; C172-C176 VanDerWaalsContact O-SG 3.36Å; C176-N180 VanDerWaalsContact O-CB 3.32Å; C176-N180 WeakPolarHBondContact O-CB 3.37Å; C176-N180 VanDerWaalsContact O-CG 3.28Å; C176-N180 PolarHBondContact O-N 3.26Å; C176-N180 VanDerWaalsContact O-N 3.13Å; C176-N180 PolarHBondContact O-ND2 3.49Å; C176-C212 HydrophobicContact CB-CB 4.37Å |
| 177 | K | 92.5 | Very high | 90.7 | Very high | 145 Ų | 145 | 47.7 Ų | 47.7 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 176 | -176.9 | -172.2 | 174.6 | -162.5 | 0 | 112.3 | P173 I174 L175 N181 | P173-K177 VanDerWaalsContact O-CB 3.31Å; P173-K177 WeakPolarHBondContact O-CB 3.32Å; P173-K177 PolarHBondContact O-N 3.15Å; I174-K177 PolarHBondContact O-N 3.35Å; L175-K177 VanDerWaalsContact C-N 3.28Å; L175-K177 PolarHBondContact O-N 3.43Å; K177-N181 PolarHBondContact O-N 3.27Å |
| 178 | I | 90.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.9 | -42.3 | -177.1 | -63.9 | 168.6 | 0 | 0 | 0 | 110.9 | I142 E143 I174 L175 N180 N181 V184 L192 | I142-I178 HydrophobicContact CG2-CD1 3.96Å; E143-I178 HydrophobicContact CG-CD1 3.67Å; E143-I178 HydrophobicContact CG-CG1 4.22Å; I174-I178 HydrophobicContact CG2-CD1 3.68Å; I174-I178 HydrophobicContact CG2-CG1 4.42Å; I174-I178 VanDerWaalsContact O-CG1 3.27Å; I174-I178 WeakPolarHBondContact O-CG1 3.25Å; I174-I178 PolarHBondContact O-N 3.3Å; L175-I178 PolarHBondContact O-N 3.24Å; I178-N180 VanDerWaalsContact C-N 3.35Å; I178-N180 PolarHBondContact O-N 3.09Å; I178-N181 WeakPolarHBondContact O-CB 3.48Å; I178-N181 PolarHBondContact O-N 3.48Å; I178-V184 HydrophobicContact CG2-CG1 4.18Å; I178-V184 HydrophobicContact CG2-CG2 3.98Å; I178-L192 HydrophobicContact CB-CD1 4.32Å; I178-L192 HydrophobicContact CD1-CD1 4.34Å; I178-L192 HydrophobicContact CG2-CD1 3.47Å; I178-L192 VanDerWaalsContact CG2-CD1 3.47Å |
| 179 | L | 90.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | -178.9 | -71.4 | 175.6 | 0 | 0 | 0 | 112.4 | L175 N181 K189 L192 L193 L213 M216 | L175-L179 VanDerWaalsContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 3.32Å; L179-N181 VanDerWaalsContact C-N 3.31Å; L179-K189 HydrophobicContact CD2-CB 4.41Å; L179-L192 HydrophobicContact CD2-CB 4.32Å; L179-L193 HydrophobicContact CD2-CB 4.47Å; L179-L213 HydrophobicContact CD1-CD2 4.02Å; L179-M216 HydrophobicContact CB-CE 4.25Å; L179-M216 HydrophobicContact CB-SD 3.72Å; L179-M216 HydrophobicContact CD1-SD 4.2Å; L179-M216 HydrophobicContact CD2-CE 4.26Å; L179-M216 HydrophobicContact CD2-SD 4.39Å; L179-M216 HydrophobicContact CG-SD 4.32Å |
| 180 | N | 89.1 | Confident | 89.8 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -77.2 | -14.3 | 176.1 | -70.2 | -32.7 | 0 | 0 | 0 | 113.6 | C176 I178 L182 | C176-N180 VanDerWaalsContact O-CB 3.32Å; C176-N180 WeakPolarHBondContact O-CB 3.37Å; C176-N180 VanDerWaalsContact O-CG 3.28Å; C176-N180 PolarHBondContact O-N 3.26Å; C176-N180 VanDerWaalsContact O-N 3.13Å; C176-N180 PolarHBondContact O-ND2 3.49Å; I178-N180 VanDerWaalsContact C-N 3.35Å; I178-N180 PolarHBondContact O-N 3.09Å; N180-L182 PolarHBondContact O-N 2.96Å |
| 181 | N | 87.8 | Confident | 89.7 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 35% | 0.348 | 29% | 0.291 | S | S | . | . | trans | -75.2 | 120.6 | 179.6 | -173.8 | -3 | 0 | 0 | 0 | 111.3 | K177 I178 L179 S183 V184 K189 | K177-N181 PolarHBondContact O-N 3.27Å; I178-N181 WeakPolarHBondContact O-CB 3.48Å; I178-N181 PolarHBondContact O-N 3.48Å; L179-N181 VanDerWaalsContact C-N 3.31Å; N181-S183 VanDerWaalsContact CG-OG 3.31Å; N181-S183 PolarHBondContact ND2-OG 2.95Å; N181-S183 PolarHBondContact O-N 2.78Å; N181-S183 PolarHBondContact OD1-N 2.93Å; N181-S183 PolarHBondContact OD1-OG 3.25Å; N181-V184 HydrophobicContact CB-CG2 3.99Å; N181-K189 WeakPolarHBondContact O-CE 3.34Å; N181-K189 PolarHBondContact O-NZ 3.41Å | ||
| 182 | L | 81.5 | Confident | 89.5 | Confident | 149 Ų | 149 | 52.7 Ų | 52.7 | 78% | 0.78 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20 | 179.3 | -65.9 | 172.6 | 0 | 0 | 0 | 113.6 | N180 V184 | N180-L182 PolarHBondContact O-N 2.96Å; L182-V184 VanDerWaalsContact C-N 3.34Å |
| 183 | S | 84.6 | Confident | 89.4 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 69% | 0.685 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -15 | -177.5 | 74.2 | 0 | 0 | 0 | 0 | 114.4 | N181 | N181-S183 VanDerWaalsContact CG-OG 3.31Å; N181-S183 PolarHBondContact ND2-OG 2.95Å; N181-S183 PolarHBondContact O-N 2.78Å; N181-S183 PolarHBondContact OD1-N 2.93Å; N181-S183 PolarHBondContact OD1-OG 3.25Å |
| 184 | V | 85.7 | Confident | 89.4 | Confident | 27 Ų | 27 | 52 Ų | 52 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -80.8 | 133.9 | -176.5 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | I178 N181 L182 T188 K189 | I178-V184 HydrophobicContact CG2-CG1 4.18Å; I178-V184 HydrophobicContact CG2-CG2 3.98Å; N181-V184 HydrophobicContact CB-CG2 3.99Å; L182-V184 VanDerWaalsContact C-N 3.34Å; V184-T188 HydrophobicContact CG1-CG2 3.99Å; V184-K189 HydrophobicContact CB-CG 4.3Å; V184-K189 HydrophobicContact CG1-CG 4Å; V184-K189 VanDerWaalsContact O-CE 3.3Å; V184-K189 WeakPolarHBondContact O-CE 3.25Å |
| 185 | D | 86.9 | Confident | 89.4 | Confident | 91 Ų | 91 | 49.9 Ų | 49.9 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | trans | -62.3 | 154.2 | 180 | 76.7 | 78.1 | 0 | 0 | 0 | 112.2 | G187 T188 K189 | D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 2.78Å; D185-G187 WeakPolarHBondContact OD1-CA 3.28Å; D185-G187 PolarHBondContact OD1-N 3.35Å; D185-T188 VanDerWaalsContact CG-OG1 3.27Å; D185-T188 PolarHBondContact O-N 3.36Å; D185-T188 PolarHBondContact OD1-N 3.41Å; D185-T188 PolarHBondContact OD1-OG1 3.04Å; D185-T188 WeakPolarHBondContact OD2-CB 3.43Å; D185-T188 PolarHBondContact OD2-OG1 3.38Å; D185-K189 WeakPolarHBondContact O-CG 3.49Å; D185-K189 PolarHBondContact O-N 2.98Å; D185-K189 VanDerWaalsContact O-N 3.13Å | ||
| 186 | M | 85.8 | Confident | 89.5 | Confident | 83 Ų | 83 | 50 Ų | 50 | 41% | 0.409 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.3 | -30.8 | -174 | -62.9 | -61.5 | -81.9 | 0 | 0 | 113.2 | K189 L190 Y220 F225 | M186-K189 HydrophobicContact SD-CD 4.41Å; M186-L190 WeakPolarHBondContact O-CG 3.33Å; M186-L190 PolarHBondContact O-N 2.88Å; M186-L190 VanDerWaalsContact O-N 3.12Å; M186-Y220 HydrophobicContact CE-CD1 3.55Å; M186-Y220 HydrophobicContact CE-CE1 3.51Å; M186-Y220 HydrophobicContact SD-CE1 3.92Å; M186-F225 HydrophobicContact CB-CE2 4.13Å; M186-F225 HydrophobicContact CB-CZ 4.11Å; M186-F225 HydrophobicContact CE-CD2 3.99Å; M186-F225 HydrophobicContact CE-CE1 4.13Å; M186-F225 HydrophobicContact CE-CE2 3.25Å; M186-F225 HydrophobicContact CE-CZ 3.33Å; M186-F225 WeakPolarHBondContact O-CZ 3.28Å; M186-F225 HydrophobicContact SD-CE2 4.3Å; M186-F225 HydrophobicContact SD-CZ 3.91Å |
| 187 | G | 86.4 | Confident | 89.5 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D185 L190 K191 | D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 2.78Å; D185-G187 WeakPolarHBondContact OD1-CA 3.28Å; D185-G187 PolarHBondContact OD1-N 3.35Å; G187-L190 PolarHBondContact O-N 3.39Å; G187-K191 PolarHBondContact O-N 2.88Å |
| 188 | T | 87.3 | Confident | 89.6 | Confident | 49 Ų | 49 | 46 Ų | 46 | 30% | 0.301 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.8 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | V184 D185 L190 K191 L192 | V184-T188 HydrophobicContact CG1-CG2 3.99Å; D185-T188 VanDerWaalsContact CG-OG1 3.27Å; D185-T188 PolarHBondContact O-N 3.36Å; D185-T188 PolarHBondContact OD1-N 3.41Å; D185-T188 PolarHBondContact OD1-OG1 3.04Å; D185-T188 WeakPolarHBondContact OD2-CB 3.43Å; D185-T188 PolarHBondContact OD2-OG1 3.38Å; T188-L190 PolarHBondContact O-N 3Å; T188-K191 PolarHBondContact O-N 3.38Å; T188-L192 HydrophobicContact CG2-CD1 3.93Å; T188-L192 HydrophobicContact CG2-CG 4.34Å; T188-L192 WeakPolarHBondContact O-CG 3.49Å; T188-L192 PolarHBondContact O-N 3.26Å |
| 189 | K | 90.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 173.6 | -74.1 | -175.4 | -178.7 | -173.6 | 0 | 112.4 | L179 N181 V184 D185 M186 K191 L192 L193 Y220 F225 | L179-K189 HydrophobicContact CD2-CB 4.41Å; N181-K189 WeakPolarHBondContact O-CE 3.34Å; N181-K189 PolarHBondContact O-NZ 3.41Å; V184-K189 HydrophobicContact CB-CG 4.3Å; V184-K189 HydrophobicContact CG1-CG 4Å; V184-K189 VanDerWaalsContact O-CE 3.3Å; V184-K189 WeakPolarHBondContact O-CE 3.25Å; D185-K189 WeakPolarHBondContact O-CG 3.49Å; D185-K189 PolarHBondContact O-N 2.98Å; D185-K189 VanDerWaalsContact O-N 3.13Å; M186-K189 HydrophobicContact SD-CD 4.41Å; K189-K191 PolarHBondContact O-N 2.94Å; K189-L192 PolarHBondContact O-N 2.63Å; K189-L193 VanDerWaalsContact O-CB 3.23Å; K189-L193 WeakPolarHBondContact O-CB 3.41Å; K189-L193 PolarHBondContact O-N 3.48Å; K189-Y220 PolarHBondContact NZ-OH 3Å; K189-F225 HydrophobicContact CB-CE1 4.01Å; K189-F225 HydrophobicContact CB-CZ 4.05Å |
| 190 | L | 89.3 | Confident | 89.9 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.8 | -74.8 | 171.2 | 0 | 0 | 0 | 112.6 | M186 G187 T188 L193 C194 D224 F225 | M186-L190 WeakPolarHBondContact O-CG 3.33Å; M186-L190 PolarHBondContact O-N 2.88Å; M186-L190 VanDerWaalsContact O-N 3.12Å; G187-L190 PolarHBondContact O-N 3.39Å; T188-L190 PolarHBondContact O-N 3Å; L190-L193 HydrophobicContact CD2-CD2 4.27Å; L190-C194 PolarHBondContact O-SG 3.11Å; L190-D224 HydrophobicContact CD1-CB 4.27Å; L190-F225 HydrophobicContact CD1-CD2 4.19Å; L190-F225 HydrophobicContact CD1-CE2 3.78Å; L190-F225 HydrophobicContact CD1-CZ 4.33Å; L190-F225 HydrophobicContact CD2-CB 4.46Å; L190-F225 HydrophobicContact CD2-CD1 3.94Å; L190-F225 HydrophobicContact CD2-CD2 3.69Å; L190-F225 HydrophobicContact CD2-CE1 4.02Å; L190-F225 HydrophobicContact CD2-CE2 3.78Å; L190-F225 HydrophobicContact CD2-CG 3.79Å; L190-F225 HydrophobicContact CD2-CZ 3.96Å; L190-F225 HydrophobicContact CG-CD2 4.02Å; L190-F225 HydrophobicContact CG-CE1 4.15Å; L190-F225 HydrophobicContact CG-CE2 3.57Å; L190-F225 HydrophobicContact CG-CG 4.49Å; L190-F225 HydrophobicContact CG-CZ 3.66Å |
| 191 | K | 89.8 | Confident | 90 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 174.5 | -72.2 | 178.2 | 177.1 | -178.6 | 0 | 111.3 | D151 G187 T188 K189 | D151-K191 IonicContact OD1-NZ 3.75Å; D151-K191 PolarHBondContact OD1-NZ 3.5Å; D151-K191 IonicContact OD2-NZ 3.57Å; G187-K191 PolarHBondContact O-N 2.88Å; T188-K191 PolarHBondContact O-N 3.38Å; K189-K191 PolarHBondContact O-N 2.94Å |
| 192 | L | 92.8 | Very high | 90 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75 | -35.6 | -176 | -67.5 | 176.9 | 0 | 0 | 0 | 113.5 | I142 V154 L175 I178 L179 T188 K189 C194 L195 | I142-L192 HydrophobicContact CG2-CD1 4.45Å; I142-L192 HydrophobicContact CG2-CD2 3.84Å; V154-L192 HydrophobicContact CG2-CD2 3.58Å; L175-L192 HydrophobicContact CD2-CB 4.15Å; L175-L192 HydrophobicContact CD2-CD2 4.29Å; I178-L192 HydrophobicContact CB-CD1 4.32Å; I178-L192 HydrophobicContact CD1-CD1 4.34Å; I178-L192 HydrophobicContact CG2-CD1 3.47Å; I178-L192 VanDerWaalsContact CG2-CD1 3.47Å; L179-L192 HydrophobicContact CD2-CB 4.32Å; T188-L192 HydrophobicContact CG2-CD1 3.93Å; T188-L192 HydrophobicContact CG2-CG 4.34Å; T188-L192 WeakPolarHBondContact O-CG 3.49Å; T188-L192 PolarHBondContact O-N 3.26Å; K189-L192 PolarHBondContact O-N 2.63Å; L192-C194 PolarHBondContact O-N 3.05Å; L192-L195 HydrophobicContact CD2-CD1 3.91Å; L192-L195 VanDerWaalsContact O-CB 3.3Å; L192-L195 WeakPolarHBondContact O-CB 3.48Å; L192-L195 PolarHBondContact O-N 2.94Å |
| 193 | L | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -46.7 | -45.8 | 174 | 175.7 | 77.2 | 0 | 0 | 0 | 111.4 | L179 K189 L190 L195 G196 L213 G228 I229 T232 | L179-L193 HydrophobicContact CD2-CB 4.47Å; K189-L193 VanDerWaalsContact O-CB 3.23Å; K189-L193 WeakPolarHBondContact O-CB 3.41Å; K189-L193 PolarHBondContact O-N 3.48Å; L190-L193 HydrophobicContact CD2-CD2 4.27Å; L193-L195 PolarHBondContact O-N 2.93Å; L193-L195 VanDerWaalsContact O-N 3.08Å; L193-G196 PolarHBondContact O-N 3.25Å; L193-L213 HydrophobicContact CD1-CD1 4.43Å; L193-L213 HydrophobicContact CD1-CD2 3.3Å; L193-L213 HydrophobicContact CD1-CG 4.43Å; L193-G228 VanDerWaalsContact CD2-C 3.44Å; L193-I229 HydrophobicContact CD1-CG1 3.62Å; L193-I229 HydrophobicContact CD2-CG1 4.04Å; L193-I229 HydrophobicContact CG-CG1 4.45Å; L193-T232 WeakPolarHBondContact O-CG2 3.3Å |
| 194 | C | 93.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.3 | -176.8 | -66.8 | 0 | 0 | 0 | 0 | 114.1 | L190 L192 G196 K197 | L190-C194 PolarHBondContact O-SG 3.11Å; L192-C194 PolarHBondContact O-N 3.05Å; C194-G196 VanDerWaalsContact C-N 3.3Å; C194-K197 WeakPolarHBondContact O-CD 3.42Å; C194-K197 VanDerWaalsContact O-CE 3.31Å; C194-K197 WeakPolarHBondContact O-CE 3.47Å; C194-K197 VanDerWaalsContact O-CG 3.3Å; C194-K197 WeakPolarHBondContact O-CG 3.13Å |
| 195 | L | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.4 | 173.6 | -70.9 | 166.4 | 0 | 0 | 0 | 112.2 | V154 C157 H158 L171 L175 L192 L193 K197 H198 | V154-L195 HydrophobicContact CG1-CD1 4.33Å; C157-L195 HydrophobicContact CB-CD1 3.98Å; C157-L195 HydrophobicContact CB-CD2 3.53Å; C157-L195 HydrophobicContact CB-CG 4.44Å; H158-L195 HydrophobicContact CB-CD2 4.31Å; H158-L195 VanDerWaalsContact CE1-CD2 3.49Å; H158-L195 WeakPolarHBondContact CE1-CD2 3.48Å; H158-L195 WeakPolarHBondContact ND1-CD2 3.36Å; L171-L195 HydrophobicContact CD2-CD1 4.5Å; L175-L195 HydrophobicContact CD1-CB 3.8Å; L175-L195 HydrophobicContact CD2-CB 4.24Å; L175-L195 HydrophobicContact CD2-CD1 3.9Å; L192-L195 HydrophobicContact CD2-CD1 3.91Å; L192-L195 VanDerWaalsContact O-CB 3.3Å; L192-L195 WeakPolarHBondContact O-CB 3.48Å; L192-L195 PolarHBondContact O-N 2.94Å; L193-L195 PolarHBondContact O-N 2.93Å; L193-L195 VanDerWaalsContact O-N 3.08Å; L195-K197 PolarHBondContact O-N 3.42Å; L195-K197 VanDerWaalsContact O-N 3.15Å; L195-H198 WeakPolarHBondContact O-CB 3.47Å; L195-H198 PolarHBondContact O-N 3.41Å |
| 196 | G | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -56.3 | -31.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L193 C194 H198 M199 | L193-G196 PolarHBondContact O-N 3.25Å; C194-G196 VanDerWaalsContact C-N 3.3Å; G196-H198 PolarHBondContact O-N 3.33Å; G196-M199 WeakPolarHBondContact O-CB 3.31Å; G196-M199 WeakPolarHBondContact O-CG 3.36Å; G196-M199 PolarHBondContact O-N 3.21Å |
| 197 | K | 93.8 | Very high | 91.9 | Very high | 64 Ų | 64 | 38.2 Ų | 38.2 | 28% | 0.278 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -63.3 | -13.2 | 177.4 | 75.4 | -166.3 | 175 | -175.4 | 0 | 114.4 | C194 L195 H200 T232 V235 R239 | C194-K197 WeakPolarHBondContact O-CD 3.42Å; C194-K197 VanDerWaalsContact O-CE 3.31Å; C194-K197 WeakPolarHBondContact O-CE 3.47Å; C194-K197 VanDerWaalsContact O-CG 3.3Å; C194-K197 WeakPolarHBondContact O-CG 3.13Å; L195-K197 PolarHBondContact O-N 3.42Å; L195-K197 VanDerWaalsContact O-N 3.15Å; K197-H200 PolarHBondContact O-ND1 2.78Å; K197-T232 HydrophobicContact CB-CG2 4.08Å; K197-T232 VanDerWaalsContact N-CG2 3.3Å; K197-V235 HydrophobicContact CB-CB 4Å; K197-V235 HydrophobicContact CB-CG1 3.84Å; K197-V235 HydrophobicContact CD-CG1 4.24Å; K197-V235 HydrophobicContact CG-CG1 4.35Å; K197-R239 PolarHBondContact O-NH1 3.21Å |
| 198 | H | 94.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -94.9 | -2.4 | 178.4 | -59.1 | -40.2 | 0 | 0 | 0 | 112.8 | H158 A161 L195 G196 H200 R239 | H158-H198 AromaticContact ND1-CD2 3.6Å; H158-H198 AromaticContact ND1-NE2 3.2Å; H158-H198 PolarHBondContact ND1-NE2 2.97Å; H158-H198 VanDerWaalsContact ND1-NE2 3.2Å; H158-H198 PolarHBondContact O-NE2 3.34Å; A161-H198 HydrophobicContact CB-CB 3.63Å; L195-H198 WeakPolarHBondContact O-CB 3.47Å; L195-H198 PolarHBondContact O-N 3.41Å; G196-H198 PolarHBondContact O-N 3.33Å; H198-H200 PolarHBondContact O-N 2.98Å; H198-H200 VanDerWaalsContact O-N 3.07Å; H198-H200 PolarHBondContact O-ND1 3.12Å; H198-R239 PolarHBondContact ND1-NH1 3.44Å |
| 199 | M | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -83.3 | 37.9 | -179.9 | -57.8 | -58.7 | 98.1 | 0 | 0 | 112.9 | A161 A168 L171 C172 G196 V205 A206 I209 L236 | A161-M199 HydrophobicContact CB-CE 4.04Å; A168-M199 HydrophobicContact CB-CE 3.7Å; A168-M199 HydrophobicContact CB-SD 4.08Å; L171-M199 HydrophobicContact CB-CE 4.47Å; L171-M199 HydrophobicContact CD2-CE 3.94Å; L171-M199 HydrophobicContact CG-CE 4.4Å; C172-M199 HydrophobicContact CB-SD 3.86Å; G196-M199 WeakPolarHBondContact O-CB 3.31Å; G196-M199 WeakPolarHBondContact O-CG 3.36Å; G196-M199 PolarHBondContact O-N 3.21Å; M199-V205 HydrophobicContact CB-CG1 4.11Å; M199-V205 HydrophobicContact CG-CG1 4.47Å; M199-V205 HydrophobicContact SD-CG1 4.1Å; M199-A206 WeakPolarHBondContact O-CA 3.3Å; M199-A206 WeakPolarHBondContact O-CB 3.21Å; M199-A206 PolarHBondContact O-N 3.3Å; M199-I209 HydrophobicContact CB-CB 4.4Å; M199-I209 HydrophobicContact CB-CG2 3.78Å; M199-I209 HydrophobicContact CG-CB 4.23Å; M199-I209 HydrophobicContact CG-CG1 4.23Å; M199-I209 HydrophobicContact CG-CG2 4.1Å; M199-L236 HydrophobicContact CB-CD1 4.37Å | ||
| 200 | H | 92.5 | Very high | 92.9 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 20% | 0.199 | 20% | 0.201 | C | C | . | . | trans | -95.2 | -4.8 | -172 | 55.9 | -86.9 | 0 | 0 | 0 | 114.1 | K197 H198 N202 L236 R239 A240 | K197-H200 PolarHBondContact O-ND1 2.78Å; H198-H200 PolarHBondContact O-N 2.98Å; H198-H200 VanDerWaalsContact O-N 3.07Å; H198-H200 PolarHBondContact O-ND1 3.12Å; H200-N202 PolarHBondContact O-N 3.48Å; H200-L236 HydrophobicContact CB-CD1 4.1Å; H200-R239 HydrophobicContact CB-CB 3.68Å; H200-A240 HydrophobicContact CB-CB 3.84Å | ||
| 201 | H | 91.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -73.9 | -22.6 | -172.3 | -65.8 | -76.9 | 0 | 0 | 0 | 114.8 | A161 P162 | A161-H201 PolarHBondContact O-CD2 3.39Å; A161-H201 PolarHBondContact O-NE2 2.73Å; P162-H201 PolarHBondContact O-CE1 3.43Å; P162-H201 PolarHBondContact O-NE2 3.26Å |
| 202 | N | 88.4 | Confident | 93.4 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | trans | -142.9 | 133.9 | -174.8 | -178.8 | -20.5 | 0 | 0 | 0 | 108.8 | H200 V204 V205 A206 | H200-N202 PolarHBondContact O-N 3.48Å; N202-V204 VanDerWaalsContact C-N 3.29Å; N202-V204 PolarHBondContact O-N 3.04Å; N202-V204 PolarHBondContact OD1-N 3.48Å; N202-V205 HydrophobicContact CB-CB 4.23Å; N202-V205 HydrophobicContact CB-CG2 3.88Å; N202-V205 PolarHBondContact O-N 3.16Å; N202-A206 WeakPolarHBondContact O-CB 2.95Å; N202-A206 PolarHBondContact O-N 3.1Å | ||
| 203 | S | 91.7 | Very high | 93.5 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.3 | -37 | 179 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | E207 | S203-E207 VanDerWaalsContact O-CB 3.29Å; S203-E207 WeakPolarHBondContact O-CB 3.33Å; S203-E207 PolarHBondContact O-N 3.05Å |
| 204 | V | 92.8 | Very high | 93.5 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 60% | 0.6 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.8 | -42.9 | 178.8 | -178 | 0 | 0 | 0 | 0 | 111.1 | N202 E207 E208 | N202-V204 VanDerWaalsContact C-N 3.29Å; N202-V204 PolarHBondContact O-N 3.04Å; N202-V204 PolarHBondContact OD1-N 3.48Å; V204-E207 PolarHBondContact O-N 3.24Å; V204-E208 WeakPolarHBondContact O-CB 3.36Å; V204-E208 PolarHBondContact O-N 2.82Å |
| 205 | V | 92.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.9 | -40.4 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | A169 C172 M199 N202 E207 E208 I209 | A169-V205 HydrophobicContact CB-CG2 3.96Å; C172-V205 HydrophobicContact CB-CG1 3.41Å; C172-V205 VanDerWaalsContact CB-CG1 3.41Å; M199-V205 HydrophobicContact CB-CG1 4.11Å; M199-V205 HydrophobicContact CG-CG1 4.47Å; M199-V205 HydrophobicContact SD-CG1 4.1Å; N202-V205 HydrophobicContact CB-CB 4.23Å; N202-V205 HydrophobicContact CB-CG2 3.88Å; N202-V205 PolarHBondContact O-N 3.16Å; V205-E207 VanDerWaalsContact C-N 3.31Å; V205-E207 PolarHBondContact O-N 2.75Å; V205-E208 PolarHBondContact O-N 2.98Å; V205-I209 PolarHBondContact O-N 3.49Å; V205-I209 VanDerWaalsContact O-N 3.09Å |
| 206 | A | 94 | Very high | 93.2 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | M199 N202 I209 R210 L236 L242 | M199-A206 WeakPolarHBondContact O-CA 3.3Å; M199-A206 WeakPolarHBondContact O-CB 3.21Å; M199-A206 PolarHBondContact O-N 3.3Å; N202-A206 WeakPolarHBondContact O-CB 2.95Å; N202-A206 PolarHBondContact O-N 3.1Å; A206-I209 VanDerWaalsContact O-CG2 3.31Å; A206-I209 WeakPolarHBondContact O-CG2 3.29Å; A206-R210 WeakPolarHBondContact O-CB 3.41Å; A206-R210 PolarHBondContact O-N 2.97Å; A206-L236 HydrophobicContact CB-CD1 4.43Å; A206-L242 HydrophobicContact CB-CD1 3.76Å |
| 207 | E | 94.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 176.1 | -171.6 | 62.4 | -166.3 | 0 | 0 | 112.2 | S203 V204 V205 I209 R210 H211 H243 | S203-E207 VanDerWaalsContact O-CB 3.29Å; S203-E207 WeakPolarHBondContact O-CB 3.33Å; S203-E207 PolarHBondContact O-N 3.05Å; V204-E207 PolarHBondContact O-N 3.24Å; V205-E207 VanDerWaalsContact C-N 3.31Å; V205-E207 PolarHBondContact O-N 2.75Å; E207-I209 PolarHBondContact O-N 3.08Å; E207-R210 PolarHBondContact O-N 3.32Å; E207-H211 WeakPolarHBondContact O-CB 3.45Å; E207-H211 PolarHBondContact O-N 3.3Å; E207-H243 IonicContact OE1-NE2 3.02Å; E207-H243 IonicContact OE2-CD2 2.7Å; E207-H243 PolarHBondContact OE2-CD2 3.35Å; E207-H243 VanDerWaalsContact OE2-CD2 3.23Å; E207-H243 IonicContact OE2-CE1 3.81Å; E207-H243 IonicContact OE2-NE2 3.45Å; E207-H243 PolarHBondContact OE2-NE2 3.3Å |
| 208 | E | 94.1 | Very high | 92.7 | Very high | 82 Ų | 82 | 46.6 Ų | 46.6 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -48.1 | -178.7 | -173.6 | -175.8 | -177.1 | 0 | 0 | 111.5 | C172 V204 V205 R210 H211 C212 | C172-E208 PolarHBondContact SG-OE2 3Å; V204-E208 WeakPolarHBondContact O-CB 3.36Å; V204-E208 PolarHBondContact O-N 2.82Å; V205-E208 PolarHBondContact O-N 2.98Å; E208-R210 VanDerWaalsContact C-N 3.34Å; E208-R210 PolarHBondContact O-N 3.03Å; E208-H211 PolarHBondContact O-N 3.32Å; E208-C212 PolarHBondContact O-N 3.05Å |
| 209 | I | 95.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 178.1 | -162.7 | 63.2 | 0 | 0 | 0 | 111 | L175 M199 V205 A206 E207 H211 C212 L213 L236 | L175-I209 HydrophobicContact CB-CD1 4.35Å; M199-I209 HydrophobicContact CB-CB 4.4Å; M199-I209 HydrophobicContact CB-CG2 3.78Å; M199-I209 HydrophobicContact CG-CB 4.23Å; M199-I209 HydrophobicContact CG-CG1 4.23Å; M199-I209 HydrophobicContact CG-CG2 4.1Å; V205-I209 PolarHBondContact O-N 3.49Å; V205-I209 VanDerWaalsContact O-N 3.09Å; A206-I209 VanDerWaalsContact O-CG2 3.31Å; A206-I209 WeakPolarHBondContact O-CG2 3.29Å; E207-I209 PolarHBondContact O-N 3.08Å; I209-H211 VanDerWaalsContact C-N 3.34Å; I209-H211 PolarHBondContact O-N 3.43Å; I209-C212 WeakPolarHBondContact O-CB 3.49Å; I209-C212 PolarHBondContact O-N 2.91Å; I209-L213 HydrophobicContact CG1-CD1 4.32Å; I209-L213 HydrophobicContact CG1-CG 4.26Å; I209-L213 WeakPolarHBondContact O-CB 3.32Å; I209-L213 VanDerWaalsContact O-CG 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 3.5Å; I209-L236 HydrophobicContact CG2-CD2 3.6Å |
| 210 | R | 95.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.9 | 176.4 | 178.1 | 178.1 | 75.1 | 14.8 | 110.7 | A206 E207 E208 C212 L213 T214 L233 E237 | A206-R210 WeakPolarHBondContact O-CB 3.41Å; A206-R210 PolarHBondContact O-N 2.97Å; E207-R210 PolarHBondContact O-N 3.32Å; E208-R210 VanDerWaalsContact C-N 3.34Å; E208-R210 PolarHBondContact O-N 3.03Å; R210-C212 VanDerWaalsContact C-N 3.35Å; R210-C212 PolarHBondContact O-N 3.32Å; R210-L213 PolarHBondContact O-N 2.89Å; R210-T214 HydrophobicContact CG-CG2 4.37Å; R210-T214 WeakPolarHBondContact O-CB 3.27Å; R210-T214 WeakPolarHBondContact O-CG2 3.35Å; R210-T214 PolarHBondContact O-N 3Å; R210-T214 PolarHBondContact O-OG1 3.48Å; R210-L233 HydrophobicContact CB-CD2 4.2Å; R210-L233 HydrophobicContact CG-CD2 3.98Å; R210-E237 IonicContact CZ-OE1 3.18Å; R210-E237 IonicContact NE-OE1 3.33Å; R210-E237 IonicContact NH1-OE1 3.61Å; R210-E237 PolarHBondContact NH1-OE1 3.32Å |
| 211 | H | 94.5 | Very high | 91.6 | Very high | 135 Ų | 135 | 56 Ų | 56 | 63% | 0.625 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 176.4 | -173.2 | 71.2 | 0 | 0 | 0 | 111.4 | E207 E208 I209 L213 T214 A215 | E207-H211 WeakPolarHBondContact O-CB 3.45Å; E207-H211 PolarHBondContact O-N 3.3Å; E208-H211 PolarHBondContact O-N 3.32Å; I209-H211 VanDerWaalsContact C-N 3.34Å; I209-H211 PolarHBondContact O-N 3.43Å; H211-L213 PolarHBondContact O-N 3.29Å; H211-T214 WeakPolarHBondContact CA-OG1 3.3Å; H211-T214 PolarHBondContact O-OG1 2.82Å; H211-T214 VanDerWaalsContact O-OG1 3.05Å; H211-A215 WeakPolarHBondContact O-CB 3.43Å; H211-A215 PolarHBondContact O-N 2.99Å |
| 212 | C | 94.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 175.9 | -174 | 0 | 0 | 0 | 0 | 112.3 | C176 E208 I209 R210 A215 M216 | C176-C212 HydrophobicContact CB-CB 4.37Å; E208-C212 PolarHBondContact O-N 3.05Å; I209-C212 WeakPolarHBondContact O-CB 3.49Å; I209-C212 PolarHBondContact O-N 2.91Å; R210-C212 VanDerWaalsContact C-N 3.35Å; R210-C212 PolarHBondContact O-N 3.32Å; C212-A215 PolarHBondContact O-N 3.26Å; C212-M216 WeakPolarHBondContact O-CG 3.48Å; C212-M216 PolarHBondContact O-N 2.91Å |
| 213 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.2 | -35.9 | -176.7 | -66.4 | -170.1 | 0 | 0 | 0 | 113 | L179 L193 I209 R210 H211 M216 L217 I229 T232 L233 | L179-L213 HydrophobicContact CD1-CD2 4.02Å; L193-L213 HydrophobicContact CD1-CD1 4.43Å; L193-L213 HydrophobicContact CD1-CD2 3.3Å; L193-L213 HydrophobicContact CD1-CG 4.43Å; I209-L213 HydrophobicContact CG1-CD1 4.32Å; I209-L213 HydrophobicContact CG1-CG 4.26Å; I209-L213 WeakPolarHBondContact O-CB 3.32Å; I209-L213 VanDerWaalsContact O-CG 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 3.5Å; R210-L213 PolarHBondContact O-N 2.89Å; H211-L213 PolarHBondContact O-N 3.29Å; L213-M216 HydrophobicContact CD2-SD 4.19Å; L213-M216 WeakPolarHBondContact O-CB 3.42Å; L213-M216 PolarHBondContact O-N 3.38Å; L213-L217 PolarHBondContact O-N 3.03Å; L213-L217 VanDerWaalsContact O-N 3.1Å; L213-I229 HydrophobicContact CB-CG2 4.24Å; L213-T232 HydrophobicContact CD1-CG2 3.82Å; L213-L233 HydrophobicContact CB-CD1 4.43Å; L213-L233 HydrophobicContact CB-CD2 4.01Å; L213-L233 HydrophobicContact CB-CG 4.24Å; L213-L233 HydrophobicContact CD1-CD2 4.01Å; L213-L233 HydrophobicContact CD1-CG 4.2Å |
| 214 | T | 93.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 23% | 0.233 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 175.6 | 47.4 | 0 | 0 | 0 | 0 | 111.9 | R210 H211 M216 L217 L233 | R210-T214 HydrophobicContact CG-CG2 4.37Å; R210-T214 WeakPolarHBondContact O-CB 3.27Å; R210-T214 WeakPolarHBondContact O-CG2 3.35Å; R210-T214 PolarHBondContact O-N 3Å; R210-T214 PolarHBondContact O-OG1 3.48Å; H211-T214 WeakPolarHBondContact CA-OG1 3.3Å; H211-T214 PolarHBondContact O-OG1 2.82Å; H211-T214 VanDerWaalsContact O-OG1 3.05Å; T214-M216 VanDerWaalsContact C-N 3.31Å; T214-M216 PolarHBondContact O-N 2.9Å; T214-L217 VanDerWaalsContact O-CB 3.29Å; T214-L217 WeakPolarHBondContact O-CB 3.49Å; T214-L217 PolarHBondContact O-N 3.47Å; T214-L217 VanDerWaalsContact O-N 3.14Å; T214-L233 HydrophobicContact CG2-CD1 4.01Å |
| 215 | A | 91.9 | Very high | 91.5 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H211 C212 L217 E218 T219 | H211-A215 WeakPolarHBondContact O-CB 3.43Å; H211-A215 PolarHBondContact O-N 2.99Å; C212-A215 PolarHBondContact O-N 3.26Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 3.06Å; A215-E218 PolarHBondContact O-N 3.43Å; A215-T219 PolarHBondContact O-OG1 2.94Å |
| 216 | M | 90.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 173.9 | -73.8 | -178.1 | 76.8 | 0 | 0 | 112.8 | L179 C212 L213 T214 E218 T219 Y220 I229 | L179-M216 HydrophobicContact CB-CE 4.25Å; L179-M216 HydrophobicContact CB-SD 3.72Å; L179-M216 HydrophobicContact CD1-SD 4.2Å; L179-M216 HydrophobicContact CD2-CE 4.26Å; L179-M216 HydrophobicContact CD2-SD 4.39Å; L179-M216 HydrophobicContact CG-SD 4.32Å; C212-M216 WeakPolarHBondContact O-CG 3.48Å; C212-M216 PolarHBondContact O-N 2.91Å; L213-M216 HydrophobicContact CD2-SD 4.19Å; L213-M216 WeakPolarHBondContact O-CB 3.42Å; L213-M216 PolarHBondContact O-N 3.38Å; T214-M216 VanDerWaalsContact C-N 3.31Å; T214-M216 PolarHBondContact O-N 2.9Å; M216-E218 PolarHBondContact O-N 2.89Å; M216-T219 PolarHBondContact O-N 3.42Å; M216-Y220 HydrophobicContact CB-CD2 4.07Å; M216-Y220 HydrophobicContact CB-CE2 4.34Å; M216-Y220 HydrophobicContact CE-CD2 3.97Å; M216-Y220 HydrophobicContact CE-CE2 3.63Å; M216-Y220 HydrophobicContact CG-CD2 4.47Å; M216-Y220 HydrophobicContact CG-CE2 4.25Å; M216-Y220 WeakPolarHBondContact O-CD2 3.25Å; M216-Y220 PolarHBondContact O-N 3.47Å; M216-I229 HydrophobicContact CB-CD1 4Å |
| 217 | L | 90.4 | Very high | 91.6 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -26.6 | 178.6 | -172.9 | 63 | 0 | 0 | 0 | 112.6 | L213 T214 A215 V226 I229 L230 L250 | L213-L217 PolarHBondContact O-N 3.03Å; L213-L217 VanDerWaalsContact O-N 3.1Å; T214-L217 VanDerWaalsContact O-CB 3.29Å; T214-L217 WeakPolarHBondContact O-CB 3.49Å; T214-L217 PolarHBondContact O-N 3.47Å; T214-L217 VanDerWaalsContact O-N 3.14Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 3.06Å; L217-V226 HydrophobicContact CD1-CB 4.3Å; L217-V226 HydrophobicContact CD1-CG1 3.85Å; L217-V226 HydrophobicContact CD1-CG2 4.11Å; L217-I229 HydrophobicContact CB-CG2 4.39Å; L217-I229 HydrophobicContact CD1-CG2 4.44Å; L217-L230 HydrophobicContact CD2-CD2 4.17Å; L217-L250 HydrophobicContact CD2-CD1 3.99Å; L217-L250 HydrophobicContact CD2-CD2 4.18Å; L217-L250 HydrophobicContact CD2-CG 4.44Å |
| 218 | E | 86.5 | Confident | 91.6 | Very high | 177 Ų | 177 | 49.1 Ų | 49.1 | 83% | 0.827 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -77.4 | -28 | 174.7 | -58.5 | -175.1 | 166.5 | 0 | 0 | 112.4 | A215 M216 | A215-E218 PolarHBondContact O-N 3.43Å; M216-E218 PolarHBondContact O-N 2.89Å |
| 219 | T | 86.7 | Confident | 91.6 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -89.9 | -37.4 | -175.4 | -52 | 0 | 0 | 0 | 0 | 112.4 | A215 M216 | A215-T219 PolarHBondContact O-OG1 2.94Å; M216-T219 PolarHBondContact O-N 3.42Å |
| 220 | Y | 86.3 | Confident | 91.7 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | trans | -109.1 | 122.7 | -174.6 | -59.9 | -83.1 | 0 | 0 | 0 | 111.4 | M186 K189 M216 F225 | M186-Y220 HydrophobicContact CE-CD1 3.55Å; M186-Y220 HydrophobicContact CE-CE1 3.51Å; M186-Y220 HydrophobicContact SD-CE1 3.92Å; K189-Y220 PolarHBondContact NZ-OH 3Å; M216-Y220 HydrophobicContact CB-CD2 4.07Å; M216-Y220 HydrophobicContact CB-CE2 4.34Å; M216-Y220 HydrophobicContact CE-CD2 3.97Å; M216-Y220 HydrophobicContact CE-CE2 3.63Å; M216-Y220 HydrophobicContact CG-CD2 4.47Å; M216-Y220 HydrophobicContact CG-CE2 4.25Å; M216-Y220 WeakPolarHBondContact O-CD2 3.25Å; M216-Y220 PolarHBondContact O-N 3.47Å; Y220-F225 HydrophobicContact CD1-CD1 4.33Å; Y220-F225 HydrophobicContact CD1-CE1 4.42Å; Y220-F225 HydrophobicContact CD2-CD1 4.48Å; Y220-F225 HydrophobicContact CG-CD1 4.1Å; Y220-F225 HydrophobicContact CG-CG 4.43Å | ||
| 221 | N | 86 | Confident | 91.7 | Very high | 121 Ų | 121 | 47.4 Ų | 47.4 | 65% | 0.647 | 26% | 0.26 | S | S | * | . | trans | -109.1 | -3.7 | -177.3 | 67.9 | 4.6 | 0 | 0 | 0 | 114.6 | R260 | N221-R260 PolarHBondContact O-NH1 3.44Å; N221-R260 PolarHBondContact O-NH2 3.22Å | ||
| 222 | T | 89.9 | Confident | 91.8 | Very high | 65 Ų | 65 | 41.2 Ų | 41.2 | 40% | 0.399 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -67.4 | 144.5 | -178.9 | 51 | 0 | 0 | 0 | 0 | 110.8 | D224 F225 V226 | T222-D224 VanDerWaalsContact C-N 3.32Å; T222-D224 PolarHBondContact O-N 3.24Å; T222-F225 PolarHBondContact O-N 2.94Å; T222-F225 VanDerWaalsContact OG1-CD2 3.24Å; T222-F225 WeakPolarHBondContact OG1-CD2 3.41Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.29Å |
| 223 | T | 90.2 | Very high | 91.9 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.9 | -45.7 | -174.5 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | F225 V226 T227 R260 Q262 L263 | T223-F225 PolarHBondContact O-N 2.97Å; T223-V226 PolarHBondContact O-N 3Å; T223-T227 VanDerWaalsContact O-CB 3.26Å; T223-T227 WeakPolarHBondContact O-CB 3.44Å; T223-T227 PolarHBondContact O-N 2.82Å; T223-T227 PolarHBondContact O-OG1 2.93Å; T223-R260 PolarHBondContact OG1-NH1 3.36Å; T223-R260 VanDerWaalsContact OG1-NH1 3.15Å; T223-Q262 HydrophobicContact CG2-CB 4.47Å; T223-L263 HydrophobicContact CG2-CB 4.3Å |
| 224 | D | 90 | Very high | 92 | Very high | 115 Ų | 115 | 40.9 Ų | 40.9 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.8 | -39.2 | -177.9 | -58.3 | -28.3 | 0 | 0 | 0 | 113.1 | L190 T222 G228 | L190-D224 HydrophobicContact CD1-CB 4.27Å; T222-D224 VanDerWaalsContact C-N 3.32Å; T222-D224 PolarHBondContact O-N 3.24Å; D224-G228 PolarHBondContact O-N 3Å |
| 225 | F | 91.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71 | -46.6 | 177.5 | -87.8 | -95.6 | 0 | 0 | 0 | 111.5 | M186 K189 L190 Y220 T222 T223 G228 I229 | M186-F225 HydrophobicContact CB-CE2 4.13Å; M186-F225 HydrophobicContact CB-CZ 4.11Å; M186-F225 HydrophobicContact CE-CD2 3.99Å; M186-F225 HydrophobicContact CE-CE1 4.13Å; M186-F225 HydrophobicContact CE-CE2 3.25Å; M186-F225 HydrophobicContact CE-CZ 3.33Å; M186-F225 WeakPolarHBondContact O-CZ 3.28Å; M186-F225 HydrophobicContact SD-CE2 4.3Å; M186-F225 HydrophobicContact SD-CZ 3.91Å; K189-F225 HydrophobicContact CB-CE1 4.01Å; K189-F225 HydrophobicContact CB-CZ 4.05Å; L190-F225 HydrophobicContact CD1-CD2 4.19Å; L190-F225 HydrophobicContact CD1-CE2 3.78Å; L190-F225 HydrophobicContact CD1-CZ 4.33Å; L190-F225 HydrophobicContact CD2-CB 4.46Å; L190-F225 HydrophobicContact CD2-CD1 3.94Å; L190-F225 HydrophobicContact CD2-CD2 3.69Å; L190-F225 HydrophobicContact CD2-CE1 4.02Å; L190-F225 HydrophobicContact CD2-CE2 3.78Å; L190-F225 HydrophobicContact CD2-CG 3.79Å; L190-F225 HydrophobicContact CD2-CZ 3.96Å; L190-F225 HydrophobicContact CG-CD2 4.02Å; L190-F225 HydrophobicContact CG-CE1 4.15Å; L190-F225 HydrophobicContact CG-CE2 3.57Å; L190-F225 HydrophobicContact CG-CG 4.49Å; L190-F225 HydrophobicContact CG-CZ 3.66Å; Y220-F225 HydrophobicContact CD1-CD1 4.33Å; Y220-F225 HydrophobicContact CD1-CE1 4.42Å; Y220-F225 HydrophobicContact CD2-CD1 4.48Å; Y220-F225 HydrophobicContact CG-CD1 4.1Å; Y220-F225 HydrophobicContact CG-CG 4.43Å; T222-F225 PolarHBondContact O-N 2.94Å; T222-F225 VanDerWaalsContact OG1-CD2 3.24Å; T222-F225 WeakPolarHBondContact OG1-CD2 3.41Å; T223-F225 PolarHBondContact O-N 2.97Å; F225-G228 PolarHBondContact O-N 2.81Å; F225-I229 VanDerWaalsContact O-CB 3.31Å; F225-I229 WeakPolarHBondContact O-CB 3.48Å; F225-I229 WeakPolarHBondContact O-CD1 3.42Å; F225-I229 WeakPolarHBondContact O-CG1 3.25Å; F225-I229 PolarHBondContact O-N 3.1Å |
| 226 | V | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 179.7 | 177.4 | 0 | 0 | 0 | 0 | 110 | L217 T222 T223 I229 L230 L263 | L217-V226 HydrophobicContact CD1-CB 4.3Å; L217-V226 HydrophobicContact CD1-CG1 3.85Å; L217-V226 HydrophobicContact CD1-CG2 4.11Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.29Å; T223-V226 PolarHBondContact O-N 3Å; V226-I229 PolarHBondContact O-N 2.84Å; V226-L230 HydrophobicContact CG1-CD1 3.86Å; V226-L230 HydrophobicContact CG1-CG 4.4Å; V226-L230 WeakPolarHBondContact O-CB 3.33Å; V226-L230 VanDerWaalsContact O-CG 3.24Å; V226-L230 WeakPolarHBondContact O-CG 3.42Å; V226-L230 PolarHBondContact O-N 3.1Å; V226-L263 HydrophobicContact CB-CD1 4.22Å; V226-L263 HydrophobicContact CB-CD2 4.24Å; V226-L263 HydrophobicContact CG1-CD1 3.63Å; V226-L263 HydrophobicContact CG1-CD2 3.71Å; V226-L263 HydrophobicContact CG1-CG 4.33Å |
| 227 | T | 94.2 | Very high | 92.5 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -52.3 | 175 | -65.1 | 0 | 0 | 0 | 0 | 111 | T223 I229 L230 D231 S266 | T223-T227 VanDerWaalsContact O-CB 3.26Å; T223-T227 WeakPolarHBondContact O-CB 3.44Å; T223-T227 PolarHBondContact O-N 2.82Å; T223-T227 PolarHBondContact O-OG1 2.93Å; T227-I229 VanDerWaalsContact C-N 3.3Å; T227-I229 PolarHBondContact O-N 3.24Å; T227-L230 PolarHBondContact O-N 3.22Å; T227-D231 WeakPolarHBondContact CG2-OD2 3.29Å; T227-D231 VanDerWaalsContact O-CB 3.31Å; T227-D231 WeakPolarHBondContact O-CB 3.49Å; T227-D231 PolarHBondContact O-N 3.27Å; T227-S266 VanDerWaalsContact CG2-OG 3.24Å; T227-S266 WeakPolarHBondContact CG2-OG 3.46Å |
| 228 | G | 94 | Very high | 92.7 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -37.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L193 D224 F225 T232 | L193-G228 VanDerWaalsContact CD2-C 3.44Å; D224-G228 PolarHBondContact O-N 3Å; F225-G228 PolarHBondContact O-N 2.81Å; G228-T232 VanDerWaalsContact O-CB 3.25Å; G228-T232 WeakPolarHBondContact O-CB 3.23Å; G228-T232 PolarHBondContact O-N 2.96Å; G228-T232 PolarHBondContact O-OG1 3.26Å |
| 229 | I | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.6 | -50.8 | 177.2 | -72.8 | 164.1 | 0 | 0 | 0 | 109.6 | L193 L213 M216 L217 F225 V226 T227 T232 L233 | L193-I229 HydrophobicContact CD1-CG1 3.62Å; L193-I229 HydrophobicContact CD2-CG1 4.04Å; L193-I229 HydrophobicContact CG-CG1 4.45Å; L213-I229 HydrophobicContact CB-CG2 4.24Å; M216-I229 HydrophobicContact CB-CD1 4Å; L217-I229 HydrophobicContact CB-CG2 4.39Å; L217-I229 HydrophobicContact CD1-CG2 4.44Å; F225-I229 VanDerWaalsContact O-CB 3.31Å; F225-I229 WeakPolarHBondContact O-CB 3.48Å; F225-I229 WeakPolarHBondContact O-CD1 3.42Å; F225-I229 WeakPolarHBondContact O-CG1 3.25Å; F225-I229 PolarHBondContact O-N 3.1Å; V226-I229 PolarHBondContact O-N 2.84Å; T227-I229 VanDerWaalsContact C-N 3.3Å; T227-I229 PolarHBondContact O-N 3.24Å; I229-T232 PolarHBondContact O-N 3.24Å; I229-L233 HydrophobicContact CG2-CD1 3.84Å; I229-L233 HydrophobicContact CG2-CG 4.4Å; I229-L233 WeakPolarHBondContact O-CB 3.43Å; I229-L233 WeakPolarHBondContact O-CG 3.29Å; I229-L233 PolarHBondContact O-N 3.09Å |
| 230 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | -178 | -66.6 | 178.5 | 0 | 0 | 0 | 111.9 | L217 V226 T227 L233 T234 L250 L251 R254 L263 V267 | L217-L230 HydrophobicContact CD2-CD2 4.17Å; V226-L230 HydrophobicContact CG1-CD1 3.86Å; V226-L230 HydrophobicContact CG1-CG 4.4Å; V226-L230 WeakPolarHBondContact O-CB 3.33Å; V226-L230 VanDerWaalsContact O-CG 3.24Å; V226-L230 WeakPolarHBondContact O-CG 3.42Å; V226-L230 PolarHBondContact O-N 3.1Å; T227-L230 PolarHBondContact O-N 3.22Å; L230-L233 PolarHBondContact O-N 2.89Å; L230-T234 WeakPolarHBondContact O-CB 3.48Å; L230-T234 PolarHBondContact O-N 3.16Å; L230-T234 PolarHBondContact O-OG1 3.5Å; L230-L250 HydrophobicContact CD2-CD2 3.96Å; L230-L250 HydrophobicContact CD2-CG 4.31Å; L230-L251 HydrophobicContact CB-CD2 4.14Å; L230-L251 HydrophobicContact CD1-CD2 4.14Å; L230-L251 HydrophobicContact CD2-CD2 3.99Å; L230-L251 HydrophobicContact CG-CD2 4.32Å; L230-R254 HydrophobicContact CD1-CG 4.28Å; L230-L263 HydrophobicContact CD1-CD1 4.47Å; L230-V267 HydrophobicContact CD1-CG2 3.71Å |
| 231 | D | 96.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 174.6 | -67.9 | -3.5 | 0 | 0 | 0 | 110.7 | T227 T234 V235 S266 N270 | T227-D231 WeakPolarHBondContact CG2-OD2 3.29Å; T227-D231 VanDerWaalsContact O-CB 3.31Å; T227-D231 WeakPolarHBondContact O-CB 3.49Å; T227-D231 PolarHBondContact O-N 3.27Å; D231-T234 PolarHBondContact O-N 2.91Å; D231-V235 WeakPolarHBondContact O-CG2 3.36Å; D231-V235 PolarHBondContact O-N 3.46Å; D231-S266 PolarHBondContact OD1-OG 3.39Å; D231-N270 WeakPolarHBondContact CA-OD1 3.37Å; D231-N270 PolarHBondContact OD1-ND2 3.41Å; D231-N270 PolarHBondContact OD1-OD1 3.42Å |
| 232 | T | 96 | Very high | 93.6 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | -179.9 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | L193 K197 L213 G228 I229 V235 L236 | L193-T232 WeakPolarHBondContact O-CG2 3.3Å; K197-T232 HydrophobicContact CB-CG2 4.08Å; K197-T232 VanDerWaalsContact N-CG2 3.3Å; L213-T232 HydrophobicContact CD1-CG2 3.82Å; G228-T232 VanDerWaalsContact O-CB 3.25Å; G228-T232 WeakPolarHBondContact O-CB 3.23Å; G228-T232 PolarHBondContact O-N 2.96Å; G228-T232 PolarHBondContact O-OG1 3.26Å; I229-T232 PolarHBondContact O-N 3.24Å; T232-V235 PolarHBondContact O-N 3.23Å; T232-L236 WeakPolarHBondContact O-CB 3.23Å; T232-L236 PolarHBondContact O-N 3.42Å |
| 233 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 175.6 | -74.2 | 174.8 | 0 | 0 | 0 | 111.3 | R210 L213 T214 I229 L230 V235 L236 E237 L250 | R210-L233 HydrophobicContact CB-CD2 4.2Å; R210-L233 HydrophobicContact CG-CD2 3.98Å; L213-L233 HydrophobicContact CB-CD1 4.43Å; L213-L233 HydrophobicContact CB-CD2 4.01Å; L213-L233 HydrophobicContact CB-CG 4.24Å; L213-L233 HydrophobicContact CD1-CD2 4.01Å; L213-L233 HydrophobicContact CD1-CG 4.2Å; T214-L233 HydrophobicContact CG2-CD1 4.01Å; I229-L233 HydrophobicContact CG2-CD1 3.84Å; I229-L233 HydrophobicContact CG2-CG 4.4Å; I229-L233 WeakPolarHBondContact O-CB 3.43Å; I229-L233 WeakPolarHBondContact O-CG 3.29Å; I229-L233 PolarHBondContact O-N 3.09Å; L230-L233 PolarHBondContact O-N 2.89Å; L233-V235 PolarHBondContact O-N 3.5Å; L233-L236 WeakPolarHBondContact O-CB 3.43Å; L233-L236 PolarHBondContact O-N 2.95Å; L233-L236 VanDerWaalsContact O-N 3.17Å; L233-E237 WeakPolarHBondContact O-CG 3.4Å; L233-E237 PolarHBondContact O-N 3.45Å; L233-L250 HydrophobicContact CD1-CD2 4.33Å |
| 234 | T | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 179.8 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | L230 D231 L236 E237 T238 Q247 N270 T273 L274 | L230-T234 WeakPolarHBondContact O-CB 3.48Å; L230-T234 PolarHBondContact O-N 3.16Å; L230-T234 PolarHBondContact O-OG1 3.5Å; D231-T234 PolarHBondContact O-N 2.91Å; T234-L236 VanDerWaalsContact C-N 3.28Å; T234-L236 PolarHBondContact O-N 3.38Å; T234-E237 PolarHBondContact O-N 3.49Å; T234-T238 WeakPolarHBondContact O-CG2 3.37Å; T234-T238 PolarHBondContact O-N 3.25Å; T234-T238 PolarHBondContact O-OG1 3.13Å; T234-Q247 PolarHBondContact OG1-NE2 3.33Å; T234-N270 WeakPolarHBondContact CB-OD1 3.47Å; T234-N270 HydrophobicContact CG2-CB 3.89Å; T234-N270 WeakPolarHBondContact CG2-O 3.44Å; T234-N270 WeakPolarHBondContact OG1-CB 3.26Å; T234-N270 PolarHBondContact OG1-OD1 2.92Å; T234-T273 HydrophobicContact CG2-CG2 4.46Å; T234-L274 HydrophobicContact CG2-CD1 4.31Å; T234-L274 HydrophobicContact CG2-CD2 3.94Å; T234-L274 HydrophobicContact CG2-CG 3.76Å |
| 235 | V | 95.6 | Very high | 94 | Very high | 43 Ų | 43 | 27.7 Ų | 27.7 | 26% | 0.261 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67.3 | -31.4 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | K197 D231 T232 L233 T238 R239 | K197-V235 HydrophobicContact CB-CB 4Å; K197-V235 HydrophobicContact CB-CG1 3.84Å; K197-V235 HydrophobicContact CD-CG1 4.24Å; K197-V235 HydrophobicContact CG-CG1 4.35Å; D231-V235 WeakPolarHBondContact O-CG2 3.36Å; D231-V235 PolarHBondContact O-N 3.46Å; T232-V235 PolarHBondContact O-N 3.23Å; L233-V235 PolarHBondContact O-N 3.5Å; V235-T238 WeakPolarHBondContact CA-OG1 3.37Å; V235-T238 PolarHBondContact O-OG1 3.42Å; V235-R239 WeakPolarHBondContact O-CG 3.49Å; V235-R239 PolarHBondContact O-N 3.2Å |
| 236 | L | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -49.7 | 173 | -178.2 | 64.5 | 0 | 0 | 0 | 111.1 | M199 H200 A206 I209 T232 L233 T234 T238 R239 A240 | M199-L236 HydrophobicContact CB-CD1 4.37Å; H200-L236 HydrophobicContact CB-CD1 4.1Å; A206-L236 HydrophobicContact CB-CD1 4.43Å; I209-L236 HydrophobicContact CG2-CD2 3.6Å; T232-L236 WeakPolarHBondContact O-CB 3.23Å; T232-L236 PolarHBondContact O-N 3.42Å; L233-L236 WeakPolarHBondContact O-CB 3.43Å; L233-L236 PolarHBondContact O-N 2.95Å; L233-L236 VanDerWaalsContact O-N 3.17Å; T234-L236 VanDerWaalsContact C-N 3.28Å; T234-L236 PolarHBondContact O-N 3.38Å; L236-T238 VanDerWaalsContact C-N 3.33Å; L236-T238 PolarHBondContact O-N 2.85Å; L236-R239 PolarHBondContact O-N 3.44Å; L236-R239 VanDerWaalsContact O-N 3.07Å; L236-A240 PolarHBondContact O-N 3.2Å |
| 237 | E | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.019 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.9 | -29.5 | -179.6 | -63.9 | -60.2 | 157.7 | 0 | 0 | 113.2 | R210 L233 T234 R239 A240 P241 L242 H243 V244 Q247 L274 | R210-E237 IonicContact CZ-OE1 3.18Å; R210-E237 IonicContact NE-OE1 3.33Å; R210-E237 IonicContact NH1-OE1 3.61Å; R210-E237 PolarHBondContact NH1-OE1 3.32Å; L233-E237 WeakPolarHBondContact O-CG 3.4Å; L233-E237 PolarHBondContact O-N 3.45Å; T234-E237 PolarHBondContact O-N 3.49Å; E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 PolarHBondContact O-N 3.04Å; E237-A240 CarbonylContact O-C 3.57Å; E237-P241 WeakPolarHBondContact O-CA 3.42Å; E237-P241 WeakPolarHBondContact O-CB 3.43Å; E237-L242 PolarHBondContact OE2-N 2.89Å; E237-H243 WeakPolarHBondContact OE2-CA 3.24Å; E237-H243 PolarHBondContact OE2-N 3.24Å; E237-V244 HydrophobicContact CB-CG2 4.48Å; E237-V244 PolarHBondContact OE2-N 3.02Å; E237-Q247 HydrophobicContact CG-CB 3.88Å; E237-Q247 HydrophobicContact CG-CG 3.96Å; E237-L274 HydrophobicContact CB-CD2 4.34Å |
| 238 | T | 93.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 20% | 0.202 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.2 | -25.8 | 172.5 | 51.1 | 0 | 0 | 0 | 0 | 113 | T234 V235 L236 T273 L274 N277 | T234-T238 WeakPolarHBondContact O-CG2 3.37Å; T234-T238 PolarHBondContact O-N 3.25Å; T234-T238 PolarHBondContact O-OG1 3.13Å; V235-T238 WeakPolarHBondContact CA-OG1 3.37Å; V235-T238 PolarHBondContact O-OG1 3.42Å; L236-T238 VanDerWaalsContact C-N 3.33Å; L236-T238 PolarHBondContact O-N 2.85Å; T238-T273 HydrophobicContact CG2-CG2 4.21Å; T238-L274 HydrophobicContact CG2-CD2 3.81Å; T238-N277 HydrophobicContact CG2-CB 3.89Å |
| 239 | R | 91.9 | Very high | 94.5 | Very high | 111 Ų | 111 | 32.4 Ų | 32.4 | 42% | 0.419 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -94.8 | -34 | 179.4 | -68.2 | 176.4 | 176.3 | -177.8 | -7.6 | 113.3 | K197 H198 H200 V235 L236 E237 | K197-R239 PolarHBondContact O-NH1 3.21Å; H198-R239 PolarHBondContact ND1-NH1 3.44Å; H200-R239 HydrophobicContact CB-CB 3.68Å; V235-R239 WeakPolarHBondContact O-CG 3.49Å; V235-R239 PolarHBondContact O-N 3.2Å; L236-R239 PolarHBondContact O-N 3.44Å; L236-R239 VanDerWaalsContact O-N 3.07Å; E237-R239 VanDerWaalsContact C-N 3.27Å; E237-R239 PolarHBondContact O-N 3.04Å |
| 240 | A | 92.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -131.8 | 83.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | H200 L236 E237 L242 | H200-A240 HydrophobicContact CB-CB 3.84Å; L236-A240 PolarHBondContact O-N 3.2Å; E237-A240 CarbonylContact O-C 3.57Å; A240-L242 VanDerWaalsContact C-N 3.25Å; A240-L242 HydrophobicContact CB-CD1 4.41Å; A240-L242 PolarHBondContact O-N 3.25Å |
| 241 | P | 90.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | trans | -73.9 | 74.8 | -173.5 | 30.5 | -36 | 0 | 0 | 0 | 111.6 | E237 V244 V278 | E237-P241 WeakPolarHBondContact O-CA 3.42Å; E237-P241 WeakPolarHBondContact O-CB 3.43Å; P241-V244 HydrophobicContact CB-CG2 3.4Å; P241-V244 VanDerWaalsContact CB-CG2 3.4Å; P241-V278 HydrophobicContact CB-CG1 4.39Å | ||
| 242 | L | 91 | Very high | 94.5 | Very high | 82 Ų | 82 | 31.7 Ų | 31.7 | 43% | 0.429 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -97.8 | -40.4 | -178.3 | -63.1 | 168.9 | 0 | 0 | 0 | 111.2 | A206 E237 A240 | A206-L242 HydrophobicContact CB-CD1 3.76Å; E237-L242 PolarHBondContact OE2-N 2.89Å; A240-L242 VanDerWaalsContact C-N 3.25Å; A240-L242 HydrophobicContact CB-CD1 4.41Å; A240-L242 PolarHBondContact O-N 3.25Å |
| 243 | H | 91.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 38.2 Ų | 38.2 | 25% | 0.245 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -128.7 | 33.3 | -174 | -64.2 | -75.1 | 0 | 0 | 0 | 112.1 | E207 E237 H245 V246 Q247 | E207-H243 IonicContact OE1-NE2 3.02Å; E207-H243 IonicContact OE2-CD2 2.7Å; E207-H243 PolarHBondContact OE2-CD2 3.35Å; E207-H243 VanDerWaalsContact OE2-CD2 3.23Å; E207-H243 IonicContact OE2-CE1 3.81Å; E207-H243 IonicContact OE2-NE2 3.45Å; E207-H243 PolarHBondContact OE2-NE2 3.3Å; E237-H243 WeakPolarHBondContact OE2-CA 3.24Å; E237-H243 PolarHBondContact OE2-N 3.24Å; H243-H245 VanDerWaalsContact C-N 3.26Å; H243-H245 PolarHBondContact O-N 3.33Å; H243-V246 HydrophobicContact CB-CB 4.15Å; H243-V246 HydrophobicContact CB-CG2 4.24Å; H243-V246 PolarHBondContact O-N 2.96Å; H243-Q247 PolarHBondContact O-N 2.8Å |
| 244 | V | 93.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.7 | -45.4 | -177.6 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | E237 P241 V246 Q247 I248 V278 H281 | E237-V244 HydrophobicContact CB-CG2 4.48Å; E237-V244 PolarHBondContact OE2-N 3.02Å; P241-V244 HydrophobicContact CB-CG2 3.4Å; P241-V244 VanDerWaalsContact CB-CG2 3.4Å; V244-V246 PolarHBondContact O-N 3.2Å; V244-Q247 WeakPolarHBondContact O-CB 3.43Å; V244-Q247 PolarHBondContact O-N 3.22Å; V244-I248 HydrophobicContact CG1-CD1 3.9Å; V244-I248 HydrophobicContact CG1-CG1 4.39Å; V244-I248 VanDerWaalsContact O-CG1 3.3Å; V244-I248 WeakPolarHBondContact O-CG1 3.44Å; V244-I248 PolarHBondContact O-N 3.39Å; V244-V278 HydrophobicContact CG1-CB 4.42Å; V244-V278 HydrophobicContact CG1-CG2 3.76Å; V244-H281 HydrophobicContact CB-CB 4.12Å; V244-H281 HydrophobicContact CG1-CB 3.59Å |
| 245 | H | 93.2 | Very high | 93.9 | Very high | 64 Ų | 64 | 40 Ų | 40 | 30% | 0.296 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -44 | 178.1 | -62.4 | -98.7 | 0 | 0 | 0 | 112.1 | H243 Q247 I248 N249 H281 E283 | H243-H245 VanDerWaalsContact C-N 3.26Å; H243-H245 PolarHBondContact O-N 3.33Å; H245-Q247 VanDerWaalsContact C-N 3.28Å; H245-Q247 PolarHBondContact O-N 3.36Å; H245-I248 PolarHBondContact O-N 3.22Å; H245-N249 WeakPolarHBondContact O-CB 3.25Å; H245-N249 PolarHBondContact O-N 3.26Å; H245-N249 PolarHBondContact O-ND2 3.49Å; H245-H281 AromaticContact CD2-ND1 3.62Å; H245-H281 PolarHBondContact CE1-O 2.9Å; H245-H281 PolarHBondContact ND1-O 2.94Å; H245-H281 AromaticContact NE2-CG 3.85Å; H245-H281 AromaticContact NE2-ND1 3.03Å; H245-H281 PolarHBondContact NE2-ND1 3.33Å; H245-E283 IonicContact CE1-OE1 3.87Å; H245-E283 PolarHBondContact CE1-OE1 3.41Å; H245-E283 IonicContact CG-OE1 3.94Å; H245-E283 IonicContact ND1-OE1 3.54Å; H245-E283 PolarHBondContact ND1-OE1 2.96Å |
| 246 | V | 94.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 47% | 0.467 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65 | -37.3 | 177.6 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | H243 V244 L250 | H243-V246 HydrophobicContact CB-CB 4.15Å; H243-V246 HydrophobicContact CB-CG2 4.24Å; H243-V246 PolarHBondContact O-N 2.96Å; V244-V246 PolarHBondContact O-N 3.2Å; V246-L250 VanDerWaalsContact O-CB 3.32Å; V246-L250 WeakPolarHBondContact O-CB 3.21Å; V246-L250 PolarHBondContact O-N 3.34Å |
| 247 | Q | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -44.7 | 176.9 | -173.4 | 63.1 | 16.7 | 0 | 0 | 112.2 | T234 E237 H243 V244 H245 N249 L250 L251 L274 | T234-Q247 PolarHBondContact OG1-NE2 3.33Å; E237-Q247 HydrophobicContact CG-CB 3.88Å; E237-Q247 HydrophobicContact CG-CG 3.96Å; H243-Q247 PolarHBondContact O-N 2.8Å; V244-Q247 WeakPolarHBondContact O-CB 3.43Å; V244-Q247 PolarHBondContact O-N 3.22Å; H245-Q247 VanDerWaalsContact C-N 3.28Å; H245-Q247 PolarHBondContact O-N 3.36Å; Q247-N249 VanDerWaalsContact C-N 3.33Å; Q247-N249 PolarHBondContact O-N 3.26Å; Q247-L250 WeakPolarHBondContact O-CB 3.42Å; Q247-L250 PolarHBondContact O-N 2.92Å; Q247-L251 HydrophobicContact CG-CD1 4.22Å; Q247-L251 VanDerWaalsContact O-CG 3.25Å; Q247-L251 WeakPolarHBondContact O-CG 3.44Å; Q247-L251 PolarHBondContact O-N 3.42Å; Q247-L274 HydrophobicContact CG-CD1 4.12Å |
| 248 | I | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 175 | -67 | 165.2 | 0 | 0 | 0 | 109.6 | V244 H245 L250 L251 I252 L271 L274 F282 H286 | V244-I248 HydrophobicContact CG1-CD1 3.9Å; V244-I248 HydrophobicContact CG1-CG1 4.39Å; V244-I248 VanDerWaalsContact O-CG1 3.3Å; V244-I248 WeakPolarHBondContact O-CG1 3.44Å; V244-I248 PolarHBondContact O-N 3.39Å; H245-I248 PolarHBondContact O-N 3.22Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 PolarHBondContact O-N 3.48Å; I248-L251 PolarHBondContact O-N 2.97Å; I248-L251 VanDerWaalsContact O-N 3.16Å; I248-I252 HydrophobicContact CG2-CD1 3.6Å; I248-I252 HydrophobicContact CG2-CG1 4.23Å; I248-I252 WeakPolarHBondContact O-CG1 3.18Å; I248-I252 PolarHBondContact O-N 3.47Å; I248-L271 HydrophobicContact CG2-CD2 4.12Å; I248-L274 HydrophobicContact CG1-CD1 3.91Å; I248-F282 HydrophobicContact CD1-CD1 4.2Å; I248-F282 HydrophobicContact CD1-CD2 3.8Å; I248-F282 HydrophobicContact CD1-CE1 4.11Å; I248-F282 HydrophobicContact CD1-CE2 3.71Å; I248-F282 HydrophobicContact CD1-CG 4.06Å; I248-F282 HydrophobicContact CD1-CZ 3.87Å; I248-F282 HydrophobicContact CG1-CE1 4.33Å; I248-F282 HydrophobicContact CG1-CE2 4.33Å; I248-F282 HydrophobicContact CG1-CZ 4.08Å; I248-F282 HydrophobicContact CG2-CD1 4.48Å; I248-F282 HydrophobicContact CG2-CE1 4.18Å; I248-H286 HydrophobicContact CG2-CB 3.99Å |
| 249 | N | 96.1 | Very high | 92.4 | Very high | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 176.9 | -76.4 | -48.5 | 0 | 0 | 0 | 112.6 | H245 Q247 L251 K253 H286 | H245-N249 WeakPolarHBondContact O-CB 3.25Å; H245-N249 PolarHBondContact O-N 3.26Å; H245-N249 PolarHBondContact O-ND2 3.49Å; Q247-N249 VanDerWaalsContact C-N 3.33Å; Q247-N249 PolarHBondContact O-N 3.26Å; N249-L251 VanDerWaalsContact C-N 3.35Å; N249-L251 PolarHBondContact O-N 3.3Å; N249-K253 WeakPolarHBondContact O-CB 3.45Å; N249-K253 PolarHBondContact O-N 2.95Å; N249-H286 PolarHBondContact ND2-NE2 3.29Å; N249-H286 PolarHBondContact OD1-CD2 3.47Å; N249-H286 PolarHBondContact OD1-NE2 2.89Å; N249-H286 VanDerWaalsContact OD1-NE2 3.16Å |
| 250 | L | 94.7 | Very high | 92.4 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 175.6 | 179.1 | 65.8 | 0 | 0 | 0 | 111.6 | L217 L230 L233 V246 Q247 I248 R254 | L217-L250 HydrophobicContact CD2-CD1 3.99Å; L217-L250 HydrophobicContact CD2-CD2 4.18Å; L217-L250 HydrophobicContact CD2-CG 4.44Å; L230-L250 HydrophobicContact CD2-CD2 3.96Å; L230-L250 HydrophobicContact CD2-CG 4.31Å; L233-L250 HydrophobicContact CD1-CD2 4.33Å; V246-L250 VanDerWaalsContact O-CB 3.32Å; V246-L250 WeakPolarHBondContact O-CB 3.21Å; V246-L250 PolarHBondContact O-N 3.34Å; Q247-L250 WeakPolarHBondContact O-CB 3.42Å; Q247-L250 PolarHBondContact O-N 2.92Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 PolarHBondContact O-N 3.48Å; L250-R254 WeakPolarHBondContact O-CB 3.33Å; L250-R254 PolarHBondContact O-N 2.84Å |
| 251 | L | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -47 | 179.8 | -66.3 | 169.4 | 0 | 0 | 0 | 111.5 | L230 Q247 I248 N249 R254 L255 V267 N270 L271 L274 | L230-L251 HydrophobicContact CB-CD2 4.14Å; L230-L251 HydrophobicContact CD1-CD2 4.14Å; L230-L251 HydrophobicContact CD2-CD2 3.99Å; L230-L251 HydrophobicContact CG-CD2 4.32Å; Q247-L251 HydrophobicContact CG-CD1 4.22Å; Q247-L251 VanDerWaalsContact O-CG 3.25Å; Q247-L251 WeakPolarHBondContact O-CG 3.44Å; Q247-L251 PolarHBondContact O-N 3.42Å; I248-L251 PolarHBondContact O-N 2.97Å; I248-L251 VanDerWaalsContact O-N 3.16Å; N249-L251 VanDerWaalsContact C-N 3.35Å; N249-L251 PolarHBondContact O-N 3.3Å; L251-R254 WeakPolarHBondContact O-CB 3.43Å; L251-R254 PolarHBondContact O-N 3.33Å; L251-R254 VanDerWaalsContact O-N 3.15Å; L251-L255 PolarHBondContact O-N 3.09Å; L251-V267 HydrophobicContact CB-CG1 3.82Å; L251-V267 HydrophobicContact CD2-CG1 3.85Å; L251-V267 HydrophobicContact CG-CG1 4.42Å; L251-V267 WeakPolarHBondContact O-CG1 3.43Å; L251-N270 HydrophobicContact CD1-CB 4Å; L251-N270 HydrophobicContact CD2-CB 4.03Å; L251-L271 HydrophobicContact CB-CD1 4.32Å; L251-L271 HydrophobicContact CB-CD2 3.86Å; L251-L271 HydrophobicContact CB-CG 3.93Å; L251-L271 HydrophobicContact CD1-CD2 3.85Å; L251-L271 HydrophobicContact CD1-CG 3.98Å; L251-L274 HydrophobicContact CD1-CD1 3.69Å |
| 252 | I | 95.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 177.8 | -63.9 | 173.6 | 0 | 0 | 0 | 110.6 | I248 R254 L255 S256 L271 H286 E289 L290 L293 | I248-I252 HydrophobicContact CG2-CD1 3.6Å; I248-I252 HydrophobicContact CG2-CG1 4.23Å; I248-I252 WeakPolarHBondContact O-CG1 3.18Å; I248-I252 PolarHBondContact O-N 3.47Å; I252-R254 VanDerWaalsContact C-N 3.29Å; I252-R254 PolarHBondContact O-N 2.92Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.95Å; I252-L255 VanDerWaalsContact O-N 3.1Å; I252-S256 PolarHBondContact O-N 3.28Å; I252-S256 VanDerWaalsContact O-N 3.11Å; I252-L271 HydrophobicContact CG1-CD1 4.28Å; I252-L271 HydrophobicContact CG1-CD2 4.35Å; I252-H286 HydrophobicContact CD1-CB 3.81Å; I252-E289 HydrophobicContact CG2-CB 3.91Å; I252-E289 WeakPolarHBondContact CG2-OE2 3.33Å; I252-L290 HydrophobicContact CD1-CD2 4.49Å; I252-L290 HydrophobicContact CD1-CG 4.25Å; I252-L290 HydrophobicContact CG1-CD2 4.21Å; I252-L290 HydrophobicContact CG1-CG 4.5Å; I252-L293 HydrophobicContact CG2-CD1 3.96Å |
| 253 | K | 93 | Very high | 92.1 | Very high | 142 Ų | 142 | 51.5 Ų | 51.5 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.7 | -44.5 | 172.9 | -173.8 | 179.1 | 179.9 | -178.9 | 0 | 110.8 | N249 L255 S256 F257 | N249-K253 WeakPolarHBondContact O-CB 3.45Å; N249-K253 PolarHBondContact O-N 2.95Å; K253-L255 VanDerWaalsContact C-N 3.33Å; K253-L255 PolarHBondContact O-N 2.89Å; K253-S256 PolarHBondContact O-N 3.1Å; K253-S256 VanDerWaalsContact O-N 3.17Å; K253-S256 PolarHBondContact O-OG 3.25Å; K253-F257 HydrophobicContact CG-CE1 4.36Å; K253-F257 WeakPolarHBondContact O-CD1 3.43Å; K253-F257 WeakPolarHBondContact O-CE1 3.14Å |
| 254 | R | 92 | Very high | 92.2 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 176.3 | -165.2 | 77.4 | -156.5 | -175 | 1.4 | 112.5 | L230 L250 L251 I252 S256 F257 D258 V267 | L230-R254 HydrophobicContact CD1-CG 4.28Å; L250-R254 WeakPolarHBondContact O-CB 3.33Å; L250-R254 PolarHBondContact O-N 2.84Å; L251-R254 WeakPolarHBondContact O-CB 3.43Å; L251-R254 PolarHBondContact O-N 3.33Å; L251-R254 VanDerWaalsContact O-N 3.15Å; I252-R254 VanDerWaalsContact C-N 3.29Å; I252-R254 PolarHBondContact O-N 2.92Å; R254-S256 VanDerWaalsContact C-N 3.27Å; R254-S256 PolarHBondContact O-N 3.35Å; R254-F257 HydrophobicContact CG-CZ 4.4Å; R254-F257 VanDerWaalsContact CZ-CZ 3.49Å; R254-D258 IonicContact CZ-OD2 2.79Å; R254-D258 IonicContact NE-OD2 3.51Å; R254-D258 PolarHBondContact NE-OD2 2.56Å; R254-D258 IonicContact NH2-OD2 3.91Å; R254-D258 PolarHBondContact NH2-OD2 2.79Å; R254-D258 WeakPolarHBondContact O-CB 3.4Å; R254-D258 PolarHBondContact O-N 3.39Å; R254-V267 HydrophobicContact CG-CG2 4.19Å |
| 255 | L | 91.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -28.9 | 176.9 | -72.6 | 171.8 | 0 | 0 | 0 | 113.5 | L251 I252 K253 R264 V267 L268 L271 L293 | L251-L255 PolarHBondContact O-N 3.09Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.95Å; I252-L255 VanDerWaalsContact O-N 3.1Å; K253-L255 VanDerWaalsContact C-N 3.33Å; K253-L255 PolarHBondContact O-N 2.89Å; L255-R264 HydrophobicContact CD2-CB 4.13Å; L255-R264 HydrophobicContact CD2-CG 4.35Å; L255-R264 PolarHBondContact O-NH1 3.34Å; L255-V267 HydrophobicContact CD1-CG1 4Å; L255-V267 HydrophobicContact CD2-CB 3.88Å; L255-V267 HydrophobicContact CD2-CG1 3.83Å; L255-V267 HydrophobicContact CG-CB 4.18Å; L255-V267 HydrophobicContact CG-CG1 3.55Å; L255-L268 HydrophobicContact CD1-CD2 3.64Å; L255-L268 HydrophobicContact CD1-CG 4.06Å; L255-L268 HydrophobicContact CD2-CD2 4.49Å; L255-L268 HydrophobicContact CD2-CG 4.05Å; L255-L271 HydrophobicContact CD1-CD1 3.63Å; L255-L293 HydrophobicContact CB-CD1 3.85Å; L255-L293 HydrophobicContact CD1-CD1 4.24Å |
| 256 | S | 88.5 | Confident | 92.2 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 51% | 0.51 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.4 | -33.9 | -178.5 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | I252 K253 R254 | I252-S256 PolarHBondContact O-N 3.28Å; I252-S256 VanDerWaalsContact O-N 3.11Å; K253-S256 PolarHBondContact O-N 3.1Å; K253-S256 VanDerWaalsContact O-N 3.17Å; K253-S256 PolarHBondContact O-OG 3.25Å; R254-S256 VanDerWaalsContact C-N 3.27Å; R254-S256 PolarHBondContact O-N 3.35Å |
| 257 | F | 87.8 | Confident | 92.3 | Very high | 106 Ų | 106 | 46.8 Ų | 46.8 | 47% | 0.465 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -110.9 | -24.8 | -174.9 | 69.8 | -99.4 | 0 | 0 | 0 | 114.9 | K253 R254 | K253-F257 HydrophobicContact CG-CE1 4.36Å; K253-F257 WeakPolarHBondContact O-CD1 3.43Å; K253-F257 WeakPolarHBondContact O-CE1 3.14Å; R254-F257 HydrophobicContact CG-CZ 4.4Å; R254-F257 VanDerWaalsContact CZ-CZ 3.49Å |
| 258 | D | 87.3 | Confident | 92.3 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | trans | -84.8 | 126.8 | -176.9 | -148.8 | -55.3 | 0 | 0 | 0 | 111.9 | R254 R260 L263 R264 | R254-D258 IonicContact CZ-OD2 2.79Å; R254-D258 IonicContact NE-OD2 3.51Å; R254-D258 PolarHBondContact NE-OD2 2.56Å; R254-D258 IonicContact NH2-OD2 3.91Å; R254-D258 PolarHBondContact NH2-OD2 2.79Å; R254-D258 WeakPolarHBondContact O-CB 3.4Å; R254-D258 PolarHBondContact O-N 3.39Å; D258-R260 WeakPolarHBondContact OD1-CB 3.4Å; D258-R260 IonicContact OD1-CZ 2.84Å; D258-R260 PolarHBondContact OD1-N 2.85Å; D258-R260 VanDerWaalsContact OD1-N 3.11Å; D258-R260 IonicContact OD1-NE 3.68Å; D258-R260 PolarHBondContact OD1-NE 2.96Å; D258-R260 IonicContact OD1-NH2 2.73Å; D258-R260 IonicContact OD2-CZ 3.2Å; D258-R260 IonicContact OD2-NE 3.96Å; D258-R260 IonicContact OD2-NH2 3.78Å; D258-R260 PolarHBondContact OD2-NH2 3.38Å; D258-L263 HydrophobicContact CB-CD2 4.37Å; D258-L263 VanDerWaalsContact CG-CD2 3.49Å; D258-L263 WeakPolarHBondContact OD2-CD2 3.46Å; D258-R264 WeakPolarHBondContact O-CD 3.34Å; D258-R264 WeakPolarHBondContact O-CG 3.47Å; D258-R264 PolarHBondContact O-NH1 2.99Å | ||
| 259 | Q | 86.7 | Confident | 92.3 | Very high | 102 Ų | 102 | 53 Ų | 53 | 48% | 0.477 | 26% | 0.255 | S | S | . | . | trans | -98.1 | -6.9 | -176.4 | -59.8 | -59.7 | -28.6 | 0 | 0 | 113.1 | P261 N298 | Q259-P261 WeakPolarHBondContact O-CD 3.39Å; Q259-N298 PolarHBondContact NE2-ND2 2.94Å; Q259-N298 PolarHBondContact OE1-ND2 2.96Å; Q259-N298 PolarHBondContact OE1-OD1 3.42Å | ||
| 260 | R | 90.9 | Very high | 92.3 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 28% | 0.275 | 24% | 0.24 | S | C | . | . | trans | -75.1 | 121 | -175.5 | -67.6 | 174.1 | -69.6 | -177.2 | -10 | 110.6 | N221 T223 D258 Q262 L263 R264 | N221-R260 PolarHBondContact O-NH1 3.44Å; N221-R260 PolarHBondContact O-NH2 3.22Å; T223-R260 PolarHBondContact OG1-NH1 3.36Å; T223-R260 VanDerWaalsContact OG1-NH1 3.15Å; D258-R260 WeakPolarHBondContact OD1-CB 3.4Å; D258-R260 IonicContact OD1-CZ 2.84Å; D258-R260 PolarHBondContact OD1-N 2.85Å; D258-R260 VanDerWaalsContact OD1-N 3.11Å; D258-R260 IonicContact OD1-NE 3.68Å; D258-R260 PolarHBondContact OD1-NE 2.96Å; D258-R260 IonicContact OD1-NH2 2.73Å; D258-R260 IonicContact OD2-CZ 3.2Å; D258-R260 IonicContact OD2-NE 3.96Å; D258-R260 IonicContact OD2-NH2 3.78Å; D258-R260 PolarHBondContact OD2-NH2 3.38Å; R260-Q262 PolarHBondContact O-N 3.48Å; R260-L263 HydrophobicContact CB-CB 4.18Å; R260-L263 VanDerWaalsContact NH2-CD2 3.26Å; R260-L263 PolarHBondContact O-N 3.14Å; R260-R264 WeakPolarHBondContact O-CG 3.3Å; R260-R264 PolarHBondContact O-N 2.94Å | ||
| 261 | P | 88.6 | Confident | 92.4 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -42.2 | -171.7 | 22.5 | -33 | 0 | 0 | 0 | 113.3 | Q259 L263 R264 Q265 | Q259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 3.46Å; P261-R264 PolarHBondContact O-N 3.39Å; P261-Q265 WeakPolarHBondContact O-CB 3.24Å; P261-Q265 WeakPolarHBondContact O-CG 3.16Å; P261-Q265 PolarHBondContact O-N 3.13Å |
| 262 | Q | 89 | Confident | 92.5 | Very high | 143 Ų | 143 | 48.5 Ų | 48.5 | 67% | 0.668 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.1 | -41 | 178.5 | -70.8 | 177.9 | -21.3 | 0 | 0 | 112.3 | T223 R260 S266 | T223-Q262 HydrophobicContact CG2-CB 4.47Å; R260-Q262 PolarHBondContact O-N 3.48Å; Q262-S266 PolarHBondContact O-N 3.45Å |
| 263 | L | 90.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.5 | -45 | 178.7 | 178.2 | 55.5 | 0 | 0 | 0 | 111.1 | T223 V226 L230 D258 R260 P261 Q265 S266 V267 | T223-L263 HydrophobicContact CG2-CB 4.3Å; V226-L263 HydrophobicContact CB-CD1 4.22Å; V226-L263 HydrophobicContact CB-CD2 4.24Å; V226-L263 HydrophobicContact CG1-CD1 3.63Å; V226-L263 HydrophobicContact CG1-CD2 3.71Å; V226-L263 HydrophobicContact CG1-CG 4.33Å; L230-L263 HydrophobicContact CD1-CD1 4.47Å; D258-L263 HydrophobicContact CB-CD2 4.37Å; D258-L263 VanDerWaalsContact CG-CD2 3.49Å; D258-L263 WeakPolarHBondContact OD2-CD2 3.46Å; R260-L263 HydrophobicContact CB-CB 4.18Å; R260-L263 VanDerWaalsContact NH2-CD2 3.26Å; R260-L263 PolarHBondContact O-N 3.14Å; P261-L263 VanDerWaalsContact C-N 3.32Å; P261-L263 PolarHBondContact O-N 3.46Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 2.89Å; L263-S266 PolarHBondContact O-N 3.27Å; L263-S266 VanDerWaalsContact O-N 3.14Å; L263-V267 HydrophobicContact CD1-CG2 3.91Å; L263-V267 HydrophobicContact CG-CG2 4.25Å; L263-V267 VanDerWaalsContact O-CG2 3.24Å; L263-V267 WeakPolarHBondContact O-CG2 3.41Å; L263-V267 PolarHBondContact O-N 2.86Å |
| 264 | R | 93.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.1 | -45.4 | 175.8 | -69.6 | 175.6 | 63.1 | 73.3 | 7.3 | 111.8 | L255 D258 R260 P261 V267 L268 D303 | L255-R264 HydrophobicContact CD2-CB 4.13Å; L255-R264 HydrophobicContact CD2-CG 4.35Å; L255-R264 PolarHBondContact O-NH1 3.34Å; D258-R264 WeakPolarHBondContact O-CD 3.34Å; D258-R264 WeakPolarHBondContact O-CG 3.47Å; D258-R264 PolarHBondContact O-NH1 2.99Å; R260-R264 WeakPolarHBondContact O-CG 3.3Å; R260-R264 PolarHBondContact O-N 2.94Å; P261-R264 PolarHBondContact O-N 3.39Å; R264-V267 PolarHBondContact O-N 3.04Å; R264-L268 WeakPolarHBondContact O-CG 3.4Å; R264-L268 PolarHBondContact O-N 2.84Å; R264-D303 IonicContact CZ-OD2 3.05Å; R264-D303 IonicContact NE-OD2 2.72Å; R264-D303 PolarHBondContact NE-OD2 2.96Å; R264-D303 IonicContact NH2-OD2 3.34Å; R264-D303 PolarHBondContact NH2-OD2 3.47Å |
| 265 | Q | 92.7 | Very high | 92.8 | Very high | 66 Ų | 66 | 41.8 Ų | 41.8 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -47 | 175.6 | -72.4 | 175.9 | -0.8 | 0 | 0 | 111.6 | P261 L263 V267 L268 W269 | P261-Q265 WeakPolarHBondContact O-CB 3.24Å; P261-Q265 WeakPolarHBondContact O-CG 3.16Å; P261-Q265 PolarHBondContact O-N 3.13Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 2.89Å; Q265-V267 VanDerWaalsContact C-N 3.33Å; Q265-V267 PolarHBondContact O-N 3.22Å; Q265-L268 PolarHBondContact O-N 3.23Å; Q265-W269 PolarHBondContact O-N 2.87Å |
| 266 | S | 93.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 175.1 | 157.7 | 0 | 0 | 0 | 0 | 112.4 | T227 D231 Q262 L263 L268 W269 N270 | T227-S266 VanDerWaalsContact CG2-OG 3.24Å; T227-S266 WeakPolarHBondContact CG2-OG 3.46Å; D231-S266 PolarHBondContact OD1-OG 3.39Å; Q262-S266 PolarHBondContact O-N 3.45Å; L263-S266 PolarHBondContact O-N 3.27Å; L263-S266 VanDerWaalsContact O-N 3.14Å; S266-L268 PolarHBondContact O-N 2.92Å; S266-W269 WeakPolarHBondContact O-CB 3.35Å; S266-W269 PolarHBondContact O-N 3.46Å; S266-N270 PolarHBondContact O-N 2.84Å; S266-N270 PolarHBondContact O-ND2 2.91Å; S266-N270 VanDerWaalsContact O-ND2 3.1Å |
| 267 | V | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 177.6 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | L230 L251 R254 L255 L263 R264 Q265 N270 L271 | L230-V267 HydrophobicContact CD1-CG2 3.71Å; L251-V267 HydrophobicContact CB-CG1 3.82Å; L251-V267 HydrophobicContact CD2-CG1 3.85Å; L251-V267 HydrophobicContact CG-CG1 4.42Å; L251-V267 WeakPolarHBondContact O-CG1 3.43Å; R254-V267 HydrophobicContact CG-CG2 4.19Å; L255-V267 HydrophobicContact CD1-CG1 4Å; L255-V267 HydrophobicContact CD2-CB 3.88Å; L255-V267 HydrophobicContact CD2-CG1 3.83Å; L255-V267 HydrophobicContact CG-CB 4.18Å; L255-V267 HydrophobicContact CG-CG1 3.55Å; L263-V267 HydrophobicContact CD1-CG2 3.91Å; L263-V267 HydrophobicContact CG-CG2 4.25Å; L263-V267 VanDerWaalsContact O-CG2 3.24Å; L263-V267 WeakPolarHBondContact O-CG2 3.41Å; L263-V267 PolarHBondContact O-N 2.86Å; R264-V267 PolarHBondContact O-N 3.04Å; Q265-V267 VanDerWaalsContact C-N 3.33Å; Q265-V267 PolarHBondContact O-N 3.22Å; V267-N270 WeakPolarHBondContact O-CB 3.46Å; V267-N270 PolarHBondContact O-N 3.33Å; V267-L271 PolarHBondContact O-N 2.99Å |
| 268 | L | 96.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 173.8 | -73.4 | 168.8 | 0 | 0 | 0 | 112.3 | L255 R264 Q265 S266 N270 L271 L272 D303 L306 I307 I310 | L255-L268 HydrophobicContact CD1-CD2 3.64Å; L255-L268 HydrophobicContact CD1-CG 4.06Å; L255-L268 HydrophobicContact CD2-CD2 4.49Å; L255-L268 HydrophobicContact CD2-CG 4.05Å; R264-L268 WeakPolarHBondContact O-CG 3.4Å; R264-L268 PolarHBondContact O-N 2.84Å; Q265-L268 PolarHBondContact O-N 3.23Å; S266-L268 PolarHBondContact O-N 2.92Å; L268-N270 VanDerWaalsContact C-N 3.29Å; L268-N270 PolarHBondContact O-N 3.26Å; L268-L271 HydrophobicContact CD2-CD1 4.34Å; L268-L271 PolarHBondContact O-N 3.39Å; L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 PolarHBondContact O-N 2.59Å; L268-D303 HydrophobicContact CD1-CB 3.59Å; L268-L306 HydrophobicContact CB-CB 4.01Å; L268-L306 HydrophobicContact CB-CD1 3.73Å; L268-L306 HydrophobicContact CB-CG 4.5Å; L268-L306 HydrophobicContact CD1-CB 4.24Å; L268-L306 HydrophobicContact CD1-CD1 4.15Å; L268-I307 HydrophobicContact CD2-CD1 4.44Å; L268-I307 HydrophobicContact CD2-CG1 3.76Å; L268-I310 HydrophobicContact CD2-CD1 4.08Å |
| 269 | W | 96.2 | Very high | 93.3 | Very high | 128 Ų | 128 | 44.1 Ų | 44.1 | 49% | 0.485 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 171.8 | -84.9 | 110.2 | 0 | 0 | 0 | 112.3 | Q265 S266 L272 T273 L306 | Q265-W269 PolarHBondContact O-N 2.87Å; S266-W269 WeakPolarHBondContact O-CB 3.35Å; S266-W269 PolarHBondContact O-N 3.46Å; W269-L272 HydrophobicContact CE3-CD2 3.84Å; W269-L272 HydrophobicContact CH2-CD2 4.48Å; W269-L272 HydrophobicContact CZ3-CD2 3.72Å; W269-L272 PolarHBondContact O-N 2.94Å; W269-T273 WeakPolarHBondContact O-CB 3.36Å; W269-T273 PolarHBondContact O-N 2.98Å; W269-T273 PolarHBondContact O-OG1 3.4Å; W269-L306 HydrophobicContact CD2-CD2 4.34Å; W269-L306 HydrophobicContact CZ2-CD2 4.08Å |
| 270 | N | 97.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 173.4 | -79.4 | -46.8 | 0 | 0 | 0 | 112 | D231 T234 L251 S266 V267 L268 L272 T273 L274 | D231-N270 WeakPolarHBondContact CA-OD1 3.37Å; D231-N270 PolarHBondContact OD1-ND2 3.41Å; D231-N270 PolarHBondContact OD1-OD1 3.42Å; T234-N270 WeakPolarHBondContact CB-OD1 3.47Å; T234-N270 HydrophobicContact CG2-CB 3.89Å; T234-N270 WeakPolarHBondContact CG2-O 3.44Å; T234-N270 WeakPolarHBondContact OG1-CB 3.26Å; T234-N270 PolarHBondContact OG1-OD1 2.92Å; L251-N270 HydrophobicContact CD1-CB 4Å; L251-N270 HydrophobicContact CD2-CB 4.03Å; S266-N270 PolarHBondContact O-N 2.84Å; S266-N270 PolarHBondContact O-ND2 2.91Å; S266-N270 VanDerWaalsContact O-ND2 3.1Å; V267-N270 WeakPolarHBondContact O-CB 3.46Å; V267-N270 PolarHBondContact O-N 3.33Å; L268-N270 VanDerWaalsContact C-N 3.29Å; L268-N270 PolarHBondContact O-N 3.26Å; N270-L272 VanDerWaalsContact C-N 3.31Å; N270-L272 PolarHBondContact O-N 3.35Å; N270-T273 WeakPolarHBondContact O-CB 3.3Å; N270-T273 PolarHBondContact O-N 3.44Å; N270-L274 WeakPolarHBondContact O-CG 3.35Å; N270-L274 PolarHBondContact O-N 3.17Å |
| 271 | L | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 174 | -75.4 | 168.5 | 0 | 0 | 0 | 112.3 | I248 L251 I252 L255 V267 L268 L274 A275 F282 L290 I310 | I248-L271 HydrophobicContact CG2-CD2 4.12Å; L251-L271 HydrophobicContact CB-CD1 4.32Å; L251-L271 HydrophobicContact CB-CD2 3.86Å; L251-L271 HydrophobicContact CB-CG 3.93Å; L251-L271 HydrophobicContact CD1-CD2 3.85Å; L251-L271 HydrophobicContact CD1-CG 3.98Å; I252-L271 HydrophobicContact CG1-CD1 4.28Å; I252-L271 HydrophobicContact CG1-CD2 4.35Å; L255-L271 HydrophobicContact CD1-CD1 3.63Å; V267-L271 PolarHBondContact O-N 2.99Å; L268-L271 HydrophobicContact CD2-CD1 4.34Å; L268-L271 PolarHBondContact O-N 3.39Å; L271-L274 PolarHBondContact O-N 3.12Å; L271-A275 WeakPolarHBondContact O-CB 3.4Å; L271-A275 PolarHBondContact O-N 3.04Å; L271-F282 HydrophobicContact CD2-CE1 4.43Å; L271-L290 HydrophobicContact CD1-CD2 3.99Å; L271-I310 HydrophobicContact CB-CD1 3.66Å; L271-I310 HydrophobicContact CB-CG1 4.4Å |
| 272 | L | 96.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.1 | -178.6 | 60.6 | 0 | 0 | 0 | 111.4 | L268 W269 N270 L274 A275 E276 L306 Q309 I310 C313 | L268-L272 WeakPolarHBondContact O-CB 3.47Å; L268-L272 PolarHBondContact O-N 2.59Å; W269-L272 HydrophobicContact CE3-CD2 3.84Å; W269-L272 HydrophobicContact CH2-CD2 4.48Å; W269-L272 HydrophobicContact CZ3-CD2 3.72Å; W269-L272 PolarHBondContact O-N 2.94Å; N270-L272 VanDerWaalsContact C-N 3.31Å; N270-L272 PolarHBondContact O-N 3.35Å; L272-L274 VanDerWaalsContact C-N 3.31Å; L272-L274 PolarHBondContact O-N 2.95Å; L272-A275 PolarHBondContact O-N 3.43Å; L272-A275 VanDerWaalsContact O-N 3.11Å; L272-E276 WeakPolarHBondContact O-CG 3.5Å; L272-E276 PolarHBondContact O-N 3.06Å; L272-L306 HydrophobicContact CD2-CD2 4.44Å; L272-Q309 HydrophobicContact CD1-CB 4.06Å; L272-Q309 HydrophobicContact CD2-CB 4.48Å; L272-I310 HydrophobicContact CB-CG1 3.88Å; L272-I310 HydrophobicContact CD1-CG1 4.08Å; L272-C313 HydrophobicContact CD1-CB 4.4Å |
| 273 | T | 96 | Very high | 93.8 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | T234 T238 W269 N270 N277 | T234-T273 HydrophobicContact CG2-CG2 4.46Å; T238-T273 HydrophobicContact CG2-CG2 4.21Å; W269-T273 WeakPolarHBondContact O-CB 3.36Å; W269-T273 PolarHBondContact O-N 2.98Å; W269-T273 PolarHBondContact O-OG1 3.4Å; N270-T273 WeakPolarHBondContact O-CB 3.3Å; N270-T273 PolarHBondContact O-N 3.44Å; T273-N277 PolarHBondContact O-N 2.83Å; T273-N277 PolarHBondContact O-ND2 3.04Å |
| 274 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 172.6 | -66.7 | 172.8 | 0 | 0 | 0 | 111.6 | T234 E237 T238 Q247 I248 L251 N270 L271 L272 E276 N277 V278 F282 | T234-L274 HydrophobicContact CG2-CD1 4.31Å; T234-L274 HydrophobicContact CG2-CD2 3.94Å; T234-L274 HydrophobicContact CG2-CG 3.76Å; E237-L274 HydrophobicContact CB-CD2 4.34Å; T238-L274 HydrophobicContact CG2-CD2 3.81Å; Q247-L274 HydrophobicContact CG-CD1 4.12Å; I248-L274 HydrophobicContact CG1-CD1 3.91Å; L251-L274 HydrophobicContact CD1-CD1 3.69Å; N270-L274 WeakPolarHBondContact O-CG 3.35Å; N270-L274 PolarHBondContact O-N 3.17Å; L271-L274 PolarHBondContact O-N 3.12Å; L272-L274 VanDerWaalsContact C-N 3.31Å; L272-L274 PolarHBondContact O-N 2.95Å; L274-E276 VanDerWaalsContact C-N 3.28Å; L274-E276 PolarHBondContact O-N 3.34Å; L274-N277 PolarHBondContact O-N 2.88Å; L274-V278 HydrophobicContact CB-CG2 4.04Å; L274-V278 HydrophobicContact CD2-CG2 3.91Å; L274-V278 CarbonylContact O-C 3.59Å; L274-V278 WeakPolarHBondContact O-CA 3.45Å; L274-V278 WeakPolarHBondContact O-CG2 3.39Å; L274-V278 PolarHBondContact O-N 3.26Å; L274-F282 HydrophobicContact CB-CE2 4.07Å; L274-F282 HydrophobicContact CB-CZ 4.1Å |
| 275 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L271 L272 S279 F282 I310 C313 L314 | L271-A275 WeakPolarHBondContact O-CB 3.4Å; L271-A275 PolarHBondContact O-N 3.04Å; L272-A275 PolarHBondContact O-N 3.43Å; L272-A275 VanDerWaalsContact O-N 3.11Å; A275-S279 VanDerWaalsContact O-CB 3.3Å; A275-S279 WeakPolarHBondContact O-CB 3.48Å; A275-F282 HydrophobicContact CB-CE2 4.19Å; A275-F282 HydrophobicContact CB-CZ 4.15Å; A275-I310 HydrophobicContact CB-CG2 4.02Å; A275-C313 HydrophobicContact CB-CB 3.87Å; A275-L314 HydrophobicContact CB-CD2 3.75Å; A275-L314 HydrophobicContact CB-CG 4.18Å |
| 276 | E | 93 | Very high | 93.7 | Very high | 120 Ų | 120 | 39.3 Ų | 39.3 | 56% | 0.561 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -71.4 | -36.9 | 176.3 | -74.6 | -179.7 | 171.1 | 0 | 0 | 113.3 | L272 L274 C313 | L272-E276 WeakPolarHBondContact O-CG 3.5Å; L272-E276 PolarHBondContact O-N 3.06Å; L274-E276 VanDerWaalsContact C-N 3.28Å; L274-E276 PolarHBondContact O-N 3.34Å; E276-C313 HydrophobicContact CG-CB 4.24Å; E276-C313 VanDerWaalsContact CG-SG 3.57Å |
| 277 | N | 91.7 | Very high | 93.7 | Very high | 100 Ų | 100 | 38.6 Ų | 38.6 | 54% | 0.535 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -101.5 | -29.1 | -171.3 | -65.9 | -71.4 | 0 | 0 | 0 | 113.8 | T238 T273 L274 | T238-N277 HydrophobicContact CG2-CB 3.89Å; T273-N277 PolarHBondContact O-N 2.83Å; T273-N277 PolarHBondContact O-ND2 3.04Å; L274-N277 PolarHBondContact O-N 2.88Å |
| 278 | V | 91.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | trans | -140.1 | 43.1 | -171.5 | -70 | 0 | 0 | 0 | 0 | 112.3 | P241 V244 L274 H280 H281 | P241-V278 HydrophobicContact CB-CG1 4.39Å; V244-V278 HydrophobicContact CG1-CB 4.42Å; V244-V278 HydrophobicContact CG1-CG2 3.76Å; L274-V278 HydrophobicContact CB-CG2 4.04Å; L274-V278 HydrophobicContact CD2-CG2 3.91Å; L274-V278 CarbonylContact O-C 3.59Å; L274-V278 WeakPolarHBondContact O-CA 3.45Å; L274-V278 WeakPolarHBondContact O-CG2 3.39Å; L274-V278 PolarHBondContact O-N 3.26Å; V278-H280 PolarHBondContact O-N 3.42Å; V278-H280 VanDerWaalsContact O-N 3.1Å; V278-H281 PolarHBondContact O-N 3.39Å; V278-H281 VanDerWaalsContact O-N 3.12Å | ||
| 279 | S | 89.8 | Confident | 93.3 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -53.7 | -31 | -176.1 | 52.7 | 0 | 0 | 0 | 0 | 115.7 | A275 H281 F282 T316 S320 | A275-S279 VanDerWaalsContact O-CB 3.3Å; A275-S279 WeakPolarHBondContact O-CB 3.48Å; S279-H281 VanDerWaalsContact C-N 3.26Å; S279-H281 PolarHBondContact O-N 3.31Å; S279-F282 PolarHBondContact O-N 3.02Å; S279-T316 WeakPolarHBondContact CB-OG1 3.4Å; S279-T316 PolarHBondContact OG-OG1 2.95Å; S279-S320 PolarHBondContact O-OG 3.29Å |
| 280 | H | 88.7 | Confident | 93.2 | Very high | 118 Ų | 118 | 37.7 Ų | 37.7 | 55% | 0.546 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -72.6 | -13.2 | -178 | 59.7 | -84.4 | 0 | 0 | 0 | 114.3 | V278 F282 | V278-H280 PolarHBondContact O-N 3.42Å; V278-H280 VanDerWaalsContact O-N 3.1Å; H280-F282 VanDerWaalsContact C-N 3.32Å |
| 281 | H | 90.7 | Very high | 93 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -83.7 | -5.5 | 175.1 | -75.7 | -85.5 | 0 | 0 | 0 | 113.6 | V244 H245 V278 S279 E283 | V244-H281 HydrophobicContact CB-CB 4.12Å; V244-H281 HydrophobicContact CG1-CB 3.59Å; H245-H281 AromaticContact CD2-ND1 3.62Å; H245-H281 PolarHBondContact CE1-O 2.9Å; H245-H281 PolarHBondContact ND1-O 2.94Å; H245-H281 AromaticContact NE2-CG 3.85Å; H245-H281 AromaticContact NE2-ND1 3.03Å; H245-H281 PolarHBondContact NE2-ND1 3.33Å; V278-H281 PolarHBondContact O-N 3.39Å; V278-H281 VanDerWaalsContact O-N 3.12Å; S279-H281 VanDerWaalsContact C-N 3.26Å; S279-H281 PolarHBondContact O-N 3.31Å; H281-E283 PolarHBondContact O-N 2.7Å |
| 282 | F | 93.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | trans | -80 | 116.1 | 177 | -77.5 | -107.1 | 0 | 0 | 0 | 110.7 | I248 L271 L274 A275 S279 H280 H286 L314 | I248-F282 HydrophobicContact CD1-CD1 4.2Å; I248-F282 HydrophobicContact CD1-CD2 3.8Å; I248-F282 HydrophobicContact CD1-CE1 4.11Å; I248-F282 HydrophobicContact CD1-CE2 3.71Å; I248-F282 HydrophobicContact CD1-CG 4.06Å; I248-F282 HydrophobicContact CD1-CZ 3.87Å; I248-F282 HydrophobicContact CG1-CE1 4.33Å; I248-F282 HydrophobicContact CG1-CE2 4.33Å; I248-F282 HydrophobicContact CG1-CZ 4.08Å; I248-F282 HydrophobicContact CG2-CD1 4.48Å; I248-F282 HydrophobicContact CG2-CE1 4.18Å; L271-F282 HydrophobicContact CD2-CE1 4.43Å; L274-F282 HydrophobicContact CB-CE2 4.07Å; L274-F282 HydrophobicContact CB-CZ 4.1Å; A275-F282 HydrophobicContact CB-CE2 4.19Å; A275-F282 HydrophobicContact CB-CZ 4.15Å; S279-F282 PolarHBondContact O-N 3.02Å; H280-F282 VanDerWaalsContact C-N 3.32Å; F282-H286 HydrophobicContact CD1-CB 4.33Å; F282-L314 HydrophobicContact CB-CD1 4.09Å; F282-L314 HydrophobicContact CB-CD2 3.85Å; F282-L314 HydrophobicContact CD1-CD1 3.91Å; F282-L314 HydrophobicContact CD1-CD2 4.04Å; F282-L314 HydrophobicContact CD2-CD2 3.42Å; F282-L314 VanDerWaalsContact CD2-CD2 3.42Å; F282-L314 HydrophobicContact CE1-CD2 4.45Å; F282-L314 HydrophobicContact CE2-CD2 3.9Å; F282-L314 HydrophobicContact CG-CD1 4.01Å; F282-L314 HydrophobicContact CG-CD2 3.5Å; F282-L314 VanDerWaalsContact CG-CD2 3.5Å; F282-L314 HydrophobicContact CG-CG 4.4Å; F282-L314 HydrophobicContact CZ-CD2 4.38Å | ||
| 283 | E | 91.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 41.1 Ų | 41.1 | 43% | 0.425 | 21% | 0.212 | S | C | . | . | trans | -84.4 | 165.8 | 174.4 | -68.2 | 173 | -151.9 | 0 | 0 | 112.3 | H245 H281 S285 H286 I287 | H245-E283 IonicContact CE1-OE1 3.87Å; H245-E283 PolarHBondContact CE1-OE1 3.41Å; H245-E283 IonicContact CG-OE1 3.94Å; H245-E283 IonicContact ND1-OE1 3.54Å; H245-E283 PolarHBondContact ND1-OE1 2.96Å; H281-E283 PolarHBondContact O-N 2.7Å; E283-S285 PolarHBondContact O-N 3.34Å; E283-H286 PolarHBondContact N-ND1 3.38Å; E283-H286 PolarHBondContact O-N 3.45Å; E283-I287 PolarHBondContact O-N 2.84Å | ||
| 284 | K | 90.6 | Very high | 92.3 | Very high | 81 Ų | 81 | 39.3 Ų | 39.3 | 35% | 0.352 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -54.1 | -40.4 | 173.8 | -179.2 | 178.7 | 171 | 179.8 | 0 | 112.3 | I287 L288 F323 L326 | K284-I287 PolarHBondContact O-N 2.86Å; K284-L288 HydrophobicContact CG-CD1 3.99Å; K284-L288 HydrophobicContact CG-CG 4.33Å; K284-L288 VanDerWaalsContact O-CG 3.3Å; K284-L288 WeakPolarHBondContact O-CG 3.19Å; K284-L288 PolarHBondContact O-N 3.39Å; K284-F323 HydrophobicContact CB-CD1 4.06Å; K284-F323 HydrophobicContact CB-CD2 4.34Å; K284-F323 HydrophobicContact CB-CE1 4.25Å; K284-F323 HydrophobicContact CB-CG 4.12Å; K284-F323 HydrophobicContact CB-CZ 4.48Å; K284-F323 HydrophobicContact CG-CD1 4.41Å; K284-L326 HydrophobicContact CD-CD1 3.93Å; K284-L326 HydrophobicContact CG-CD1 4.02Å |
| 285 | S | 91.2 | Very high | 91.9 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 34% | 0.336 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.4 | -51.7 | 177.6 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | E283 I287 L288 E289 | E283-S285 PolarHBondContact O-N 3.34Å; S285-I287 VanDerWaalsContact C-N 3.31Å; S285-I287 PolarHBondContact O-N 2.89Å; S285-L288 PolarHBondContact O-N 3.01Å; S285-E289 WeakPolarHBondContact O-CG 3.49Å; S285-E289 PolarHBondContact O-N 3.46Å |
| 286 | H | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 179.7 | -54.9 | 147.5 | 0 | 0 | 0 | 112 | I248 N249 I252 F282 E283 E289 L290 | I248-H286 HydrophobicContact CG2-CB 3.99Å; N249-H286 PolarHBondContact ND2-NE2 3.29Å; N249-H286 PolarHBondContact OD1-CD2 3.47Å; N249-H286 PolarHBondContact OD1-NE2 2.89Å; N249-H286 VanDerWaalsContact OD1-NE2 3.16Å; I252-H286 HydrophobicContact CD1-CB 3.81Å; F282-H286 HydrophobicContact CD1-CB 4.33Å; E283-H286 PolarHBondContact N-ND1 3.38Å; E283-H286 PolarHBondContact O-N 3.45Å; H286-E289 PolarHBondContact O-N 3.29Å; H286-L290 WeakPolarHBondContact O-CG 3.49Å; H286-L290 PolarHBondContact O-N 3.04Å |
| 287 | I | 92.4 | Very high | 91 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 179.7 | -67.7 | 170 | 0 | 0 | 0 | 110.8 | E283 K284 S285 L290 S291 F311 L314 F323 L324 P340 | E283-I287 PolarHBondContact O-N 2.84Å; K284-I287 PolarHBondContact O-N 2.86Å; S285-I287 VanDerWaalsContact C-N 3.31Å; S285-I287 PolarHBondContact O-N 2.89Å; I287-L290 PolarHBondContact O-N 2.89Å; I287-S291 PolarHBondContact O-N 3.28Å; I287-S291 PolarHBondContact O-OG 3.47Å; I287-F311 HydrophobicContact CG2-CE1 4.13Å; I287-L314 HydrophobicContact CD1-CD1 4.24Å; I287-L314 HydrophobicContact CG1-CD1 4.05Å; I287-F323 HydrophobicContact CD1-CB 3.57Å; I287-F323 HydrophobicContact CD1-CD2 4Å; I287-F323 HydrophobicContact CD1-CG 4.28Å; I287-L324 HydrophobicContact CG2-CD2 4.16Å; I287-P340 HydrophobicContact CG2-CG 3.27Å |
| 288 | L | 92.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | 177.7 | -66.8 | 178.3 | 0 | 0 | 0 | 112.3 | K284 S285 S291 S292 Y337 T339 | K284-L288 HydrophobicContact CG-CD1 3.99Å; K284-L288 HydrophobicContact CG-CG 4.33Å; K284-L288 VanDerWaalsContact O-CG 3.3Å; K284-L288 WeakPolarHBondContact O-CG 3.19Å; K284-L288 PolarHBondContact O-N 3.39Å; S285-L288 PolarHBondContact O-N 3.01Å; L288-S291 WeakPolarHBondContact O-CB 3.38Å; L288-S291 PolarHBondContact O-N 2.59Å; L288-S292 PolarHBondContact O-N 3.49Å; L288-Y337 HydrophobicContact CD1-CD2 4.47Å; L288-Y337 HydrophobicContact CD2-CD2 3.8Å; L288-Y337 HydrophobicContact CD2-CE2 4.17Å; L288-T339 HydrophobicContact CD2-CG2 4.45Å |
| 289 | E | 92.1 | Very high | 90.3 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63 | -44.2 | 174.1 | -74.5 | 178.4 | -164 | 0 | 0 | 111.3 | I252 S285 H286 S291 S292 L293 | I252-E289 HydrophobicContact CG2-CB 3.91Å; I252-E289 WeakPolarHBondContact CG2-OE2 3.33Å; S285-E289 WeakPolarHBondContact O-CG 3.49Å; S285-E289 PolarHBondContact O-N 3.46Å; H286-E289 PolarHBondContact O-N 3.29Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 3.05Å; E289-S292 PolarHBondContact O-N 3.2Å; E289-S292 VanDerWaalsContact O-N 3.16Å; E289-S292 PolarHBondContact O-OG 3.19Å; E289-L293 WeakPolarHBondContact O-CG 2.99Å; E289-L293 PolarHBondContact O-N 2.64Å |
| 290 | L | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 174.1 | -71.5 | 174.5 | 0 | 0 | 0 | 112.4 | I252 L271 H286 I287 S292 L293 Y294 I307 I310 F311 | I252-L290 HydrophobicContact CD1-CD2 4.49Å; I252-L290 HydrophobicContact CD1-CG 4.25Å; I252-L290 HydrophobicContact CG1-CD2 4.21Å; I252-L290 HydrophobicContact CG1-CG 4.5Å; L271-L290 HydrophobicContact CD1-CD2 3.99Å; H286-L290 WeakPolarHBondContact O-CG 3.49Å; H286-L290 PolarHBondContact O-N 3.04Å; I287-L290 PolarHBondContact O-N 2.89Å; L290-S292 VanDerWaalsContact C-N 3.34Å; L290-L293 HydrophobicContact CD2-CD1 4.37Å; L290-L293 PolarHBondContact O-N 2.74Å; L290-Y294 PolarHBondContact O-N 3.1Å; L290-I307 HydrophobicContact CB-CG2 4.45Å; L290-I310 HydrophobicContact CD1-CG2 4.12Å; L290-F311 HydrophobicContact CB-CE1 3.95Å; L290-F311 HydrophobicContact CB-CZ 3.97Å; L290-F311 HydrophobicContact CD1-CE1 4.2Å |
| 291 | S | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 173.5 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | I287 L288 E289 Y294 H295 Y338 T339 P340 | I287-S291 PolarHBondContact O-N 3.28Å; I287-S291 PolarHBondContact O-OG 3.47Å; L288-S291 WeakPolarHBondContact O-CB 3.38Å; L288-S291 PolarHBondContact O-N 2.59Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 3.05Å; S291-Y294 WeakPolarHBondContact O-CB 3.35Å; S291-Y294 PolarHBondContact O-N 2.83Å; S291-H295 PolarHBondContact O-ND1 3.04Å; S291-Y338 WeakPolarHBondContact CB-O 3Å; S291-T339 PolarHBondContact OG-O 3.47Å; S291-P340 WeakPolarHBondContact OG-CD 3.45Å; S291-P340 VanDerWaalsContact OG-N 3.1Å |
| 292 | S | 91.5 | Very high | 90.4 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 40% | 0.399 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 173.3 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | L288 E289 L290 Y294 H295 G296 | L288-S292 PolarHBondContact O-N 3.49Å; E289-S292 PolarHBondContact O-N 3.2Å; E289-S292 VanDerWaalsContact O-N 3.16Å; E289-S292 PolarHBondContact O-OG 3.19Å; L290-S292 VanDerWaalsContact C-N 3.34Å; S292-Y294 VanDerWaalsContact C-N 3.3Å; S292-Y294 PolarHBondContact O-N 3.36Å; S292-H295 PolarHBondContact O-N 3.1Å; S292-G296 PolarHBondContact O-N 3.27Å |
| 293 | L | 91.5 | Very high | 90.3 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 175.9 | -73.3 | 173.3 | 0 | 0 | 0 | 112.1 | I252 L255 E289 L290 H295 G296 C299 | I252-L293 HydrophobicContact CG2-CD1 3.96Å; L255-L293 HydrophobicContact CB-CD1 3.85Å; L255-L293 HydrophobicContact CD1-CD1 4.24Å; E289-L293 WeakPolarHBondContact O-CG 2.99Å; E289-L293 PolarHBondContact O-N 2.64Å; L290-L293 HydrophobicContact CD2-CD1 4.37Å; L290-L293 PolarHBondContact O-N 2.74Å; L293-H295 PolarHBondContact O-N 3.29Å; L293-G296 PolarHBondContact O-N 3.41Å; L293-C299 VanDerWaalsContact O-CB 3.26Å; L293-C299 WeakPolarHBondContact O-CB 3.4Å; L293-C299 PolarHBondContact O-SG 2.95Å; L293-C299 VanDerWaalsContact O-SG 3.39Å |
| 294 | Y | 92.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.9 | -39.3 | 174.1 | -175.1 | -81.1 | 0 | 0 | 0 | 112.1 | L290 S291 S292 K304 I307 L308 C343 A347 | L290-Y294 PolarHBondContact O-N 3.1Å; S291-Y294 WeakPolarHBondContact O-CB 3.35Å; S291-Y294 PolarHBondContact O-N 2.83Å; S292-Y294 VanDerWaalsContact C-N 3.3Å; S292-Y294 PolarHBondContact O-N 3.36Å; Y294-K304 HydrophobicContact CD1-CG 4.48Å; Y294-K304 HydrophobicContact CD2-CB 3.92Å; Y294-K304 HydrophobicContact CD2-CG 3.87Å; Y294-K304 HydrophobicContact CE1-CD 3.99Å; Y294-K304 HydrophobicContact CE1-CG 4.23Å; Y294-K304 HydrophobicContact CE2-CB 3.37Å; Y294-K304 HydrophobicContact CE2-CD 4.12Å; Y294-K304 HydrophobicContact CE2-CG 3.63Å; Y294-K304 WeakPolarHBondContact CE2-O 3.46Å; Y294-K304 HydrophobicContact CG-CG 4.28Å; Y294-K304 VanDerWaalsContact O-CE 3.25Å; Y294-K304 WeakPolarHBondContact O-CE 3.46Å; Y294-I307 HydrophobicContact CD2-CB 4.17Å; Y294-I307 HydrophobicContact CD2-CD1 4.33Å; Y294-I307 HydrophobicContact CD2-CG2 4.03Å; Y294-L308 HydrophobicContact CE2-CD2 4.2Å; Y294-L308 HydrophobicContact CE2-CG 4.08Å; Y294-C343 HydrophobicContact CD1-CB 3.94Å; Y294-C343 HydrophobicContact CD2-CB 4.12Å; Y294-C343 HydrophobicContact CE1-CB 4.15Å; Y294-C343 HydrophobicContact CE2-CB 4.27Å; Y294-C343 HydrophobicContact CG-CB 3.96Å; Y294-A347 WeakPolarHBondContact OH-CB 3.32Å |
| 295 | H | 89.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -1.1 | -179.3 | -66.6 | 87 | 0 | 0 | 0 | 113.7 | S291 S292 L293 Y338 | S291-H295 PolarHBondContact O-ND1 3.04Å; S292-H295 PolarHBondContact O-N 3.1Å; L293-H295 PolarHBondContact O-N 3.29Å; H295-Y338 HydrophobicContact CB-CD1 4.27Å; H295-Y338 HydrophobicContact CB-CD2 3.85Å; H295-Y338 HydrophobicContact CB-CE1 4.16Å; H295-Y338 HydrophobicContact CB-CE2 3.73Å; H295-Y338 HydrophobicContact CB-CG 4.12Å; H295-Y338 AromaticContact CD2-CD1 3.77Å; H295-Y338 AromaticContact CD2-CE1 3.66Å; H295-Y338 AromaticContact CE1-CD1 3.61Å; H295-Y338 AromaticContact CE1-CG 3.97Å; H295-Y338 AromaticContact CG-CD1 3.6Å; H295-Y338 AromaticContact CG-CE1 3.73Å; H295-Y338 AromaticContact CG-CG 3.75Å; H295-Y338 AromaticContact CG-CZ 3.99Å; H295-Y338 AromaticContact ND1-CD1 3.5Å; H295-Y338 AromaticContact ND1-CG 3.47Å; H295-Y338 AromaticContact NE2-CD1 3.8Å |
| 296 | G | 86.9 | Confident | 90.7 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -70 | 145.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S292 L293 N298 C299 | S292-G296 PolarHBondContact O-N 3.27Å; L293-G296 PolarHBondContact O-N 3.41Å; G296-N298 PolarHBondContact O-N 3.46Å; G296-N298 VanDerWaalsContact O-N 3.11Å; G296-C299 VanDerWaalsContact O-CB 3.26Å; G296-C299 WeakPolarHBondContact O-CB 3.47Å; G296-C299 PolarHBondContact O-N 3.41Å |
| 297 | E | 81.6 | Confident | 90.9 | Very high | 200 Ų | 200 | 40.6 Ų | 40.6 | 94% | 0.935 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.8 | -177.4 | -64.6 | -178.2 | 169 | 0 | 0 | 113.8 | C299 | E297-C299 VanDerWaalsContact C-N 3.33Å; E297-C299 PolarHBondContact O-N 3.33Å |
| 298 | N | 80.7 | Confident | 91 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -1.9 | -178 | -59.7 | -41.3 | 0 | 0 | 0 | 113.9 | Q259 G296 S300 | Q259-N298 PolarHBondContact NE2-ND2 2.94Å; Q259-N298 PolarHBondContact OE1-ND2 2.96Å; Q259-N298 PolarHBondContact OE1-OD1 3.42Å; G296-N298 PolarHBondContact O-N 3.46Å; G296-N298 VanDerWaalsContact O-N 3.11Å; N298-S300 PolarHBondContact O-N 3.02Å |
| 299 | C | 88.2 | Confident | 91.2 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 10% | 0.101 | 22% | 0.215 | C | C | . | . | trans | -81.1 | 109.4 | -173 | -162.3 | 0 | 0 | 0 | 0 | 111.4 | L293 G296 E297 D303 | L293-C299 VanDerWaalsContact O-CB 3.26Å; L293-C299 WeakPolarHBondContact O-CB 3.4Å; L293-C299 PolarHBondContact O-SG 2.95Å; L293-C299 VanDerWaalsContact O-SG 3.39Å; G296-C299 VanDerWaalsContact O-CB 3.26Å; G296-C299 WeakPolarHBondContact O-CB 3.47Å; G296-C299 PolarHBondContact O-N 3.41Å; E297-C299 VanDerWaalsContact C-N 3.33Å; E297-C299 PolarHBondContact O-N 3.33Å; C299-D303 VanDerWaalsContact SG-CB 3.55Å | ||
| 300 | S | 90.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 37 Ų | 37 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | trans | -66.5 | 159.1 | 177.8 | 89.8 | 0 | 0 | 0 | 0 | 111.4 | N298 M302 D303 K304 | N298-S300 PolarHBondContact O-N 3.02Å; S300-M302 PolarHBondContact O-N 3.28Å; S300-M302 PolarHBondContact OG-N 2.87Å; S300-D303 PolarHBondContact N-OD2 2.82Å; S300-D303 WeakPolarHBondContact O-CB 3.33Å; S300-D303 PolarHBondContact O-N 3.45Å; S300-D303 PolarHBondContact OG-N 3.42Å; S300-D303 PolarHBondContact OG-OD1 3.28Å; S300-K304 WeakPolarHBondContact O-CG 3.45Å; S300-K304 PolarHBondContact O-N 3.43Å | ||
| 301 | K | 89.7 | Confident | 91.5 | Very high | 92 Ų | 92 | 37 Ų | 37 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.2 | -32.6 | 174.9 | -65.2 | -176.7 | -175.8 | 176.3 | 0 | 112.7 | S305 S352 Y355 | K301-S305 WeakPolarHBondContact O-CB 3.46Å; K301-S305 PolarHBondContact O-N 2.92Å; K301-S352 WeakPolarHBondContact CE-OG 3.45Å; K301-S352 PolarHBondContact NZ-OG 3.32Å; K301-Y355 WeakPolarHBondContact CB-OH 3.41Å |
| 302 | M | 89.3 | Confident | 91.6 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 34% | 0.335 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 173.5 | -171.4 | 66.3 | -171.4 | 0 | 0 | 111.2 | S300 K304 S305 L306 | S300-M302 PolarHBondContact O-N 3.28Å; S300-M302 PolarHBondContact OG-N 2.87Å; M302-K304 VanDerWaalsContact C-N 3.34Å; M302-K304 PolarHBondContact O-N 3.29Å; M302-S305 WeakPolarHBondContact O-CB 3.37Å; M302-S305 PolarHBondContact O-N 3.5Å; M302-L306 HydrophobicContact CE-CD2 4.31Å; M302-L306 HydrophobicContact CE-CG 4.32Å; M302-L306 WeakPolarHBondContact O-CG 3.43Å; M302-L306 PolarHBondContact O-N 3.01Å |
| 303 | D | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.1 | -62.3 | 12 | 0 | 0 | 0 | 110 | R264 L268 C299 S300 S305 L306 I307 | R264-D303 IonicContact CZ-OD2 3.05Å; R264-D303 IonicContact NE-OD2 2.72Å; R264-D303 PolarHBondContact NE-OD2 2.96Å; R264-D303 IonicContact NH2-OD2 3.34Å; R264-D303 PolarHBondContact NH2-OD2 3.47Å; L268-D303 HydrophobicContact CD1-CB 3.59Å; C299-D303 VanDerWaalsContact SG-CB 3.55Å; S300-D303 PolarHBondContact N-OD2 2.82Å; S300-D303 WeakPolarHBondContact O-CB 3.33Å; S300-D303 PolarHBondContact O-N 3.45Å; S300-D303 PolarHBondContact OG-N 3.42Å; S300-D303 PolarHBondContact OG-OD1 3.28Å; D303-S305 VanDerWaalsContact C-N 3.31Å; D303-S305 PolarHBondContact O-N 3.29Å; D303-L306 PolarHBondContact O-N 3Å; D303-I307 VanDerWaalsContact O-CG1 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.49Å; D303-I307 PolarHBondContact O-N 3.01Å |
| 304 | K | 94.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.4 | -45.1 | 175 | -71.7 | -174.9 | 179.9 | -166 | 0 | 112.1 | Y294 S300 M302 I307 L308 L356 | Y294-K304 HydrophobicContact CD1-CG 4.48Å; Y294-K304 HydrophobicContact CD2-CB 3.92Å; Y294-K304 HydrophobicContact CD2-CG 3.87Å; Y294-K304 HydrophobicContact CE1-CD 3.99Å; Y294-K304 HydrophobicContact CE1-CG 4.23Å; Y294-K304 HydrophobicContact CE2-CB 3.37Å; Y294-K304 HydrophobicContact CE2-CD 4.12Å; Y294-K304 HydrophobicContact CE2-CG 3.63Å; Y294-K304 WeakPolarHBondContact CE2-O 3.46Å; Y294-K304 HydrophobicContact CG-CG 4.28Å; Y294-K304 VanDerWaalsContact O-CE 3.25Å; Y294-K304 WeakPolarHBondContact O-CE 3.46Å; S300-K304 WeakPolarHBondContact O-CG 3.45Å; S300-K304 PolarHBondContact O-N 3.43Å; M302-K304 VanDerWaalsContact C-N 3.34Å; M302-K304 PolarHBondContact O-N 3.29Å; K304-I307 PolarHBondContact O-N 2.95Å; K304-L308 WeakPolarHBondContact O-CG 3.46Å; K304-L308 PolarHBondContact O-N 2.96Å; K304-L308 VanDerWaalsContact O-N 3.07Å; K304-L356 HydrophobicContact CB-CD1 3.75Å; K304-L356 HydrophobicContact CB-CD2 4.46Å; K304-L356 HydrophobicContact CD-CD2 4.48Å |
| 305 | S | 93.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 177 | 164.1 | 0 | 0 | 0 | 0 | 112.1 | K301 M302 D303 I307 L308 Q309 H359 | K301-S305 WeakPolarHBondContact O-CB 3.46Å; K301-S305 PolarHBondContact O-N 2.92Å; M302-S305 WeakPolarHBondContact O-CB 3.37Å; M302-S305 PolarHBondContact O-N 3.5Å; D303-S305 VanDerWaalsContact C-N 3.31Å; D303-S305 PolarHBondContact O-N 3.29Å; S305-I307 VanDerWaalsContact C-N 3.32Å; S305-I307 PolarHBondContact O-N 2.8Å; S305-L308 PolarHBondContact O-N 2.82Å; S305-Q309 WeakPolarHBondContact O-CG 3.49Å; S305-Q309 PolarHBondContact O-N 3.26Å; S305-H359 PolarHBondContact OG-CE1 3.11Å; S305-H359 PolarHBondContact OG-ND1 3.5Å |
| 306 | L | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 176.2 | -69.2 | 172.4 | 0 | 0 | 0 | 112.1 | L268 W269 L272 M302 D303 Q309 I310 | L268-L306 HydrophobicContact CB-CB 4.01Å; L268-L306 HydrophobicContact CB-CD1 3.73Å; L268-L306 HydrophobicContact CB-CG 4.5Å; L268-L306 HydrophobicContact CD1-CB 4.24Å; L268-L306 HydrophobicContact CD1-CD1 4.15Å; W269-L306 HydrophobicContact CD2-CD2 4.34Å; W269-L306 HydrophobicContact CZ2-CD2 4.08Å; L272-L306 HydrophobicContact CD2-CD2 4.44Å; M302-L306 HydrophobicContact CE-CD2 4.31Å; M302-L306 HydrophobicContact CE-CG 4.32Å; M302-L306 WeakPolarHBondContact O-CG 3.43Å; M302-L306 PolarHBondContact O-N 3.01Å; D303-L306 PolarHBondContact O-N 3Å; L306-Q309 PolarHBondContact O-N 3.42Å; L306-I310 VanDerWaalsContact O-CG1 3.29Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 3.19Å |
| 307 | I | 96.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.9 | -68 | 166.5 | 0 | 0 | 0 | 111.1 | L268 L290 Y294 D303 K304 S305 Q309 I310 F311 | L268-I307 HydrophobicContact CD2-CD1 4.44Å; L268-I307 HydrophobicContact CD2-CG1 3.76Å; L290-I307 HydrophobicContact CB-CG2 4.45Å; Y294-I307 HydrophobicContact CD2-CB 4.17Å; Y294-I307 HydrophobicContact CD2-CD1 4.33Å; Y294-I307 HydrophobicContact CD2-CG2 4.03Å; D303-I307 VanDerWaalsContact O-CG1 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.49Å; D303-I307 PolarHBondContact O-N 3.01Å; K304-I307 PolarHBondContact O-N 2.95Å; S305-I307 VanDerWaalsContact C-N 3.32Å; S305-I307 PolarHBondContact O-N 2.8Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 2.89Å; I307-I310 WeakPolarHBondContact O-CB 3.46Å; I307-I310 PolarHBondContact O-N 3.18Å; I307-F311 HydrophobicContact CG2-CD2 4.18Å; I307-F311 HydrophobicContact CG2-CE1 4.28Å; I307-F311 HydrophobicContact CG2-CE2 3.63Å; I307-F311 HydrophobicContact CG2-CZ 3.68Å; I307-F311 WeakPolarHBondContact O-CG 3.39Å; I307-F311 PolarHBondContact O-N 2.79Å |
| 308 | L | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -36.8 | 175.5 | -65.7 | -178.2 | 0 | 0 | 0 | 112.2 | Y294 K304 S305 F311 Y312 C343 A347 L356 H359 A360 L363 | Y294-L308 HydrophobicContact CE2-CD2 4.2Å; Y294-L308 HydrophobicContact CE2-CG 4.08Å; K304-L308 WeakPolarHBondContact O-CG 3.46Å; K304-L308 PolarHBondContact O-N 2.96Å; K304-L308 VanDerWaalsContact O-N 3.07Å; S305-L308 PolarHBondContact O-N 2.82Å; L308-F311 HydrophobicContact CD2-CD2 4.27Å; L308-F311 PolarHBondContact O-N 3.16Å; L308-Y312 WeakPolarHBondContact O-CB 3.36Å; L308-Y312 PolarHBondContact O-N 3.35Å; L308-C343 HydrophobicContact CD2-CB 4.22Å; L308-A347 HydrophobicContact CD1-CB 3.74Å; L308-L356 HydrophobicContact CD1-CD1 3.68Å; L308-H359 HydrophobicContact CB-CB 3.93Å; L308-H359 HydrophobicContact CD1-CB 4.23Å; L308-A360 HydrophobicContact CD1-CB 4.02Å; L308-L363 HydrophobicContact CD2-CD2 4.13Å |
| 309 | Q | 95.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 173.1 | -71.7 | -176.1 | -25.6 | 0 | 0 | 112.2 | L272 S305 L306 I307 Y312 C313 H359 | L272-Q309 HydrophobicContact CD1-CB 4.06Å; L272-Q309 HydrophobicContact CD2-CB 4.48Å; S305-Q309 WeakPolarHBondContact O-CG 3.49Å; S305-Q309 PolarHBondContact O-N 3.26Å; L306-Q309 PolarHBondContact O-N 3.42Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 2.89Å; Q309-Y312 WeakPolarHBondContact O-CB 3.3Å; Q309-Y312 PolarHBondContact O-N 2.66Å; Q309-C313 PolarHBondContact O-N 3.18Å; Q309-C313 PolarHBondContact O-SG 3.18Å; Q309-H359 PolarHBondContact NE2-CE1 2.99Å; Q309-H359 PolarHBondContact NE2-NE2 3.42Å; Q309-H359 VanDerWaalsContact NE2-NE2 3.11Å |
| 310 | I | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57 | -52.7 | 172.6 | -71.1 | 160.5 | 0 | 0 | 0 | 109.3 | L268 L271 L272 A275 L290 L306 I307 Y312 C313 L314 | L268-I310 HydrophobicContact CD2-CD1 4.08Å; L271-I310 HydrophobicContact CB-CD1 3.66Å; L271-I310 HydrophobicContact CB-CG1 4.4Å; L272-I310 HydrophobicContact CB-CG1 3.88Å; L272-I310 HydrophobicContact CD1-CG1 4.08Å; A275-I310 HydrophobicContact CB-CG2 4.02Å; L290-I310 HydrophobicContact CD1-CG2 4.12Å; L306-I310 VanDerWaalsContact O-CG1 3.29Å; L306-I310 WeakPolarHBondContact O-CG1 3.46Å; L306-I310 PolarHBondContact O-N 3.19Å; I307-I310 WeakPolarHBondContact O-CB 3.46Å; I307-I310 PolarHBondContact O-N 3.18Å; I310-Y312 VanDerWaalsContact C-N 3.26Å; I310-Y312 PolarHBondContact O-N 3.35Å; I310-C313 PolarHBondContact O-N 3.48Å; I310-L314 HydrophobicContact CG2-CD1 4.26Å; I310-L314 HydrophobicContact CG2-CG 4.4Å; I310-L314 WeakPolarHBondContact O-CG 3.5Å; I310-L314 PolarHBondContact O-N 2.99Å |
| 311 | F | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 176.8 | -65.5 | -20.8 | 0 | 0 | 0 | 112.3 | I287 L290 I307 L308 C313 L314 T315 L324 P340 C343 L363 | I287-F311 HydrophobicContact CG2-CE1 4.13Å; L290-F311 HydrophobicContact CB-CE1 3.95Å; L290-F311 HydrophobicContact CB-CZ 3.97Å; L290-F311 HydrophobicContact CD1-CE1 4.2Å; I307-F311 HydrophobicContact CG2-CD2 4.18Å; I307-F311 HydrophobicContact CG2-CE1 4.28Å; I307-F311 HydrophobicContact CG2-CE2 3.63Å; I307-F311 HydrophobicContact CG2-CZ 3.68Å; I307-F311 WeakPolarHBondContact O-CG 3.39Å; I307-F311 PolarHBondContact O-N 2.79Å; L308-F311 HydrophobicContact CD2-CD2 4.27Å; L308-F311 PolarHBondContact O-N 3.16Å; F311-C313 PolarHBondContact O-N 2.5Å; F311-L314 HydrophobicContact CD1-CD1 4.41Å; F311-L314 PolarHBondContact O-N 3.45Å; F311-T315 WeakPolarHBondContact O-CG2 3.4Å; F311-T315 PolarHBondContact O-N 2.9Å; F311-L324 HydrophobicContact CB-CD2 3.77Å; F311-L324 HydrophobicContact CD1-CD2 3.71Å; F311-L324 HydrophobicContact CE1-CD2 4.43Å; F311-L324 HydrophobicContact CG-CD2 3.75Å; F311-L324 WeakPolarHBondContact O-CD1 3.5Å; F311-P340 HydrophobicContact CD2-CB 4.04Å; F311-P340 HydrophobicContact CE2-CB 3.9Å; F311-P340 HydrophobicContact CE2-CG 4.22Å; F311-P340 HydrophobicContact CZ-CB 4.34Å; F311-P340 HydrophobicContact CZ-CG 4.15Å; F311-C343 HydrophobicContact CE2-CB 4.3Å; F311-L363 HydrophobicContact CB-CD1 4.19Å; F311-L363 HydrophobicContact CB-CD2 3.64Å; F311-L363 HydrophobicContact CD2-CD2 4.22Å; F311-L363 HydrophobicContact CG-CD2 4.46Å |
| 312 | Y | 95.7 | Very high | 91.2 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.3 | -179.5 | -89 | 0 | 0 | 0 | 112.4 | L308 Q309 I310 T315 Q362 K366 C443 L447 | L308-Y312 WeakPolarHBondContact O-CB 3.36Å; L308-Y312 PolarHBondContact O-N 3.35Å; Q309-Y312 WeakPolarHBondContact O-CB 3.3Å; Q309-Y312 PolarHBondContact O-N 2.66Å; I310-Y312 VanDerWaalsContact C-N 3.26Å; I310-Y312 PolarHBondContact O-N 3.35Å; Y312-T315 PolarHBondContact O-N 3.44Å; Y312-T315 PolarHBondContact O-OG1 3.32Å; Y312-Q362 HydrophobicContact CD2-CB 4.15Å; Y312-Q362 HydrophobicContact CE2-CB 4.11Å; Y312-K366 HydrophobicContact CD2-CB 4.46Å; Y312-K366 HydrophobicContact CD2-CD 3.91Å; Y312-K366 HydrophobicContact CE1-CD 4.45Å; Y312-K366 HydrophobicContact CE2-CB 4.04Å; Y312-K366 HydrophobicContact CE2-CD 3.33Å; Y312-K366 HydrophobicContact CE2-CG 4.33Å; Y312-C443 PolarHBondContact OH-SG 2.77Å; Y312-C443 VanDerWaalsContact OH-SG 3.33Å; Y312-L447 HydrophobicContact CE2-CD1 3.83Å |
| 313 | C | 94.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 36 Ų | 36 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.3 | -36.9 | 175.8 | -71.2 | 0 | 0 | 0 | 0 | 112.3 | L272 A275 E276 Q309 I310 F311 T315 T316 | L272-C313 HydrophobicContact CD1-CB 4.4Å; A275-C313 HydrophobicContact CB-CB 3.87Å; E276-C313 HydrophobicContact CG-CB 4.24Å; E276-C313 VanDerWaalsContact CG-SG 3.57Å; Q309-C313 PolarHBondContact O-N 3.18Å; Q309-C313 PolarHBondContact O-SG 3.18Å; I310-C313 PolarHBondContact O-N 3.48Å; F311-C313 PolarHBondContact O-N 2.5Å; C313-T315 PolarHBondContact O-N 3.16Å; C313-T316 WeakPolarHBondContact O-CB 3.32Å; C313-T316 WeakPolarHBondContact O-CG2 3.49Å; C313-T316 PolarHBondContact O-N 2.91Å; C313-T316 PolarHBondContact O-OG1 3.39Å |
| 314 | L | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -25.8 | 177.9 | -67 | -176.6 | 0 | 0 | 0 | 113.6 | A275 F282 I287 I310 F311 T316 S317 S320 L324 | A275-L314 HydrophobicContact CB-CD2 3.75Å; A275-L314 HydrophobicContact CB-CG 4.18Å; F282-L314 HydrophobicContact CB-CD1 4.09Å; F282-L314 HydrophobicContact CB-CD2 3.85Å; F282-L314 HydrophobicContact CD1-CD1 3.91Å; F282-L314 HydrophobicContact CD1-CD2 4.04Å; F282-L314 HydrophobicContact CD2-CD2 3.42Å; F282-L314 VanDerWaalsContact CD2-CD2 3.42Å; F282-L314 HydrophobicContact CE1-CD2 4.45Å; F282-L314 HydrophobicContact CE2-CD2 3.9Å; F282-L314 HydrophobicContact CG-CD1 4.01Å; F282-L314 HydrophobicContact CG-CD2 3.5Å; F282-L314 VanDerWaalsContact CG-CD2 3.5Å; F282-L314 HydrophobicContact CG-CG 4.4Å; F282-L314 HydrophobicContact CZ-CD2 4.38Å; I287-L314 HydrophobicContact CD1-CD1 4.24Å; I287-L314 HydrophobicContact CG1-CD1 4.05Å; I310-L314 HydrophobicContact CG2-CD1 4.26Å; I310-L314 HydrophobicContact CG2-CG 4.4Å; I310-L314 WeakPolarHBondContact O-CG 3.5Å; I310-L314 PolarHBondContact O-N 2.99Å; F311-L314 HydrophobicContact CD1-CD1 4.41Å; F311-L314 PolarHBondContact O-N 3.45Å; L314-T316 PolarHBondContact O-N 3.49Å; L314-S317 PolarHBondContact O-N 3.23Å; L314-S320 VanDerWaalsContact O-CB 3.3Å; L314-S320 WeakPolarHBondContact O-CB 3.43Å; L314-L324 HydrophobicContact CB-CD1 4.08Å |
| 315 | T | 91.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -11.5 | 175.3 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | F311 Y312 C313 S317 L324 L363 K366 L367 | F311-T315 WeakPolarHBondContact O-CG2 3.4Å; F311-T315 PolarHBondContact O-N 2.9Å; Y312-T315 PolarHBondContact O-N 3.44Å; Y312-T315 PolarHBondContact O-OG1 3.32Å; C313-T315 PolarHBondContact O-N 3.16Å; T315-S317 PolarHBondContact O-N 2.99Å; T315-L324 HydrophobicContact CG2-CD1 3.77Å; T315-L363 HydrophobicContact CG2-CD1 3.88Å; T315-K366 HydrophobicContact CG2-CD 4.46Å; T315-K366 WeakPolarHBondContact OG1-CD 3.31Å; T315-K366 WeakPolarHBondContact OG1-CE 3.5Å; T315-K366 PolarHBondContact OG1-NZ 2.99Å; T315-L367 HydrophobicContact CG2-CD2 3.71Å; T315-L367 HydrophobicContact CG2-CG 4.23Å |
| 316 | T | 89 | Confident | 89.9 | Confident | 93 Ų | 93 | 36 Ų | 36 | 57% | 0.571 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23 | 172.1 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | S279 C313 L314 | S279-T316 WeakPolarHBondContact CB-OG1 3.4Å; S279-T316 PolarHBondContact OG-OG1 2.95Å; C313-T316 WeakPolarHBondContact O-CB 3.32Å; C313-T316 WeakPolarHBondContact O-CG2 3.49Å; C313-T316 PolarHBondContact O-N 2.91Å; C313-T316 PolarHBondContact O-OG1 3.39Å; L314-T316 PolarHBondContact O-N 3.49Å |
| 317 | S | 84.6 | Confident | 89 | Confident | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -98.8 | 125.3 | 177.2 | 164.3 | 0 | 0 | 0 | 0 | 110.2 | L314 T315 H319 S320 V321 | L314-S317 PolarHBondContact O-N 3.23Å; T315-S317 PolarHBondContact O-N 2.99Å; S317-H319 VanDerWaalsContact C-N 3.3Å; S317-H319 PolarHBondContact O-N 3.26Å; S317-S320 VanDerWaalsContact CB-OG 3.31Å; S317-S320 WeakPolarHBondContact CB-OG 3.41Å; S317-S320 PolarHBondContact O-N 3.35Å; S317-S320 VanDerWaalsContact O-N 3.15Å; S317-S320 PolarHBondContact OG-OG 3.34Å; S317-S320 VanDerWaalsContact OG-OG 3.1Å; S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.43Å |
| 318 | F | 81.9 | Confident | 87.7 | Confident | 171 Ų | 171 | 41.7 Ų | 41.7 | 75% | 0.75 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -57.1 | -41.5 | 179.2 | -177.8 | -97.2 | 0 | 0 | 0 | 112.5 | S320 V321 | F318-S320 VanDerWaalsContact C-N 3.31Å; F318-S320 PolarHBondContact O-N 3.01Å; F318-V321 PolarHBondContact O-N 3.48Å |
| 319 | H | 81.5 | Confident | 86.1 | Confident | 122 Ų | 122 | 42.7 Ų | 42.7 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.7 | -38.4 | 179 | -64.9 | -3 | 0 | 0 | 0 | 112 | S317 V321 E322 F323 | S317-H319 VanDerWaalsContact C-N 3.3Å; S317-H319 PolarHBondContact O-N 3.26Å; H319-V321 VanDerWaalsContact C-N 3.31Å; H319-V321 PolarHBondContact O-N 3.07Å; H319-E322 PolarHBondContact O-N 3.19Å; H319-F323 WeakPolarHBondContact O-CD2 3.32Å |
| 320 | S | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -29.9 | -178.7 | -46.7 | 0 | 0 | 0 | 0 | 111.7 | S279 L314 S317 F318 E322 F323 L324 | S279-S320 PolarHBondContact O-OG 3.29Å; L314-S320 VanDerWaalsContact O-CB 3.3Å; L314-S320 WeakPolarHBondContact O-CB 3.43Å; S317-S320 VanDerWaalsContact CB-OG 3.31Å; S317-S320 WeakPolarHBondContact CB-OG 3.41Å; S317-S320 PolarHBondContact O-N 3.35Å; S317-S320 VanDerWaalsContact O-N 3.15Å; S317-S320 PolarHBondContact OG-OG 3.34Å; S317-S320 VanDerWaalsContact OG-OG 3.1Å; F318-S320 VanDerWaalsContact C-N 3.31Å; F318-S320 PolarHBondContact O-N 3.01Å; S320-E322 VanDerWaalsContact C-N 3.31Å; S320-E322 PolarHBondContact O-N 3.45Å; S320-F323 PolarHBondContact O-N 3.44Å; S320-L324 WeakPolarHBondContact O-CB 3.47Å; S320-L324 WeakPolarHBondContact O-CG 3.42Å; S320-L324 PolarHBondContact O-N 3.3Å |
| 321 | V | 85.9 | Confident | 81.8 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 176 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | S317 F318 H319 F323 L324 T325 L367 L370 | S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.43Å; F318-V321 PolarHBondContact O-N 3.48Å; H319-V321 VanDerWaalsContact C-N 3.31Å; H319-V321 PolarHBondContact O-N 3.07Å; V321-F323 VanDerWaalsContact C-N 3.34Å; V321-F323 PolarHBondContact O-N 3.08Å; V321-L324 PolarHBondContact O-N 2.91Å; V321-T325 WeakPolarHBondContact O-CG2 3.43Å; V321-T325 PolarHBondContact O-N 2.99Å; V321-T325 PolarHBondContact O-OG1 3.39Å; V321-T325 VanDerWaalsContact O-OG1 3.06Å; V321-L367 HydrophobicContact CG1-CD2 4.22Å; V321-L370 HydrophobicContact CG1-CB 4.28Å; V321-L370 HydrophobicContact CG2-CD1 3.82Å |
| 322 | E | 85 | Confident | 79.4 | Confident | 126 Ų | 126 | 60.9 Ų | 60.9 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 175.5 | -169.4 | 179 | 170.2 | 0 | 0 | 110.8 | H319 S320 T325 L326 | H319-E322 PolarHBondContact O-N 3.19Å; S320-E322 VanDerWaalsContact C-N 3.31Å; S320-E322 PolarHBondContact O-N 3.45Å; E322-T325 PolarHBondContact O-N 2.94Å; E322-T325 PolarHBondContact O-OG1 3.32Å; E322-L326 PolarHBondContact O-N 3.36Å |
| 323 | F | 87 | Confident | 77.2 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 178.8 | -53.5 | -31.7 | 0 | 0 | 0 | 113.3 | K284 I287 H319 S320 V321 T325 L326 | K284-F323 HydrophobicContact CB-CD1 4.06Å; K284-F323 HydrophobicContact CB-CD2 4.34Å; K284-F323 HydrophobicContact CB-CE1 4.25Å; K284-F323 HydrophobicContact CB-CG 4.12Å; K284-F323 HydrophobicContact CB-CZ 4.48Å; K284-F323 HydrophobicContact CG-CD1 4.41Å; I287-F323 HydrophobicContact CD1-CB 3.57Å; I287-F323 HydrophobicContact CD1-CD2 4Å; I287-F323 HydrophobicContact CD1-CG 4.28Å; H319-F323 WeakPolarHBondContact O-CD2 3.32Å; S320-F323 PolarHBondContact O-N 3.44Å; V321-F323 VanDerWaalsContact C-N 3.34Å; V321-F323 PolarHBondContact O-N 3.08Å; F323-T325 PolarHBondContact O-N 3.35Å; F323-L326 HydrophobicContact CB-CD1 4.44Å; F323-L326 WeakPolarHBondContact O-CD1 3.26Å; F323-L326 WeakPolarHBondContact O-CG 3.26Å; F323-L326 PolarHBondContact O-N 2.95Å |
| 324 | L | 89.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70 | -17.9 | 178 | -70.7 | 172.1 | 0 | 0 | 0 | 113.5 | I287 F311 L314 T315 S320 V321 P340 L367 | I287-L324 HydrophobicContact CG2-CD2 4.16Å; F311-L324 HydrophobicContact CB-CD2 3.77Å; F311-L324 HydrophobicContact CD1-CD2 3.71Å; F311-L324 HydrophobicContact CE1-CD2 4.43Å; F311-L324 HydrophobicContact CG-CD2 3.75Å; F311-L324 WeakPolarHBondContact O-CD1 3.5Å; L314-L324 HydrophobicContact CB-CD1 4.08Å; T315-L324 HydrophobicContact CG2-CD1 3.77Å; S320-L324 WeakPolarHBondContact O-CB 3.47Å; S320-L324 WeakPolarHBondContact O-CG 3.42Å; S320-L324 PolarHBondContact O-N 3.3Å; V321-L324 PolarHBondContact O-N 2.91Å; L324-P340 HydrophobicContact CD2-CB 3.92Å; L324-P340 HydrophobicContact CD2-CG 3.87Å; L324-L367 HydrophobicContact CB-CD1 4.34Å; L324-L367 HydrophobicContact CB-CD2 4.09Å; L324-L367 HydrophobicContact CD1-CD2 4.32Å |
| 325 | T | 84.6 | Confident | 73.6 | Confident | 11 Ų | 11 | 75.1 Ų | 75.1 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 16.2 | -178.4 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | V321 E322 F323 L367 K371 F398 | V321-T325 WeakPolarHBondContact O-CG2 3.43Å; V321-T325 PolarHBondContact O-N 2.99Å; V321-T325 PolarHBondContact O-OG1 3.39Å; V321-T325 VanDerWaalsContact O-OG1 3.06Å; E322-T325 PolarHBondContact O-N 2.94Å; E322-T325 PolarHBondContact O-OG1 3.32Å; F323-T325 PolarHBondContact O-N 3.35Å; T325-L367 HydrophobicContact CG2-CB 4.42Å; T325-L367 HydrophobicContact CG2-CD1 4.29Å; T325-L367 HydrophobicContact CG2-CD2 3.94Å; T325-L367 HydrophobicContact CG2-CG 4.45Å; T325-K371 VanDerWaalsContact CB-NZ 3.31Å; T325-K371 HydrophobicContact CG2-CD 3.81Å; T325-K371 PolarHBondContact O-NZ 3.43Å; T325-K371 PolarHBondContact OG1-NZ 3.46Å; T325-F398 HydrophobicContact CG2-CD2 4.01Å; T325-F398 HydrophobicContact CG2-CE2 3.8Å; T325-F398 HydrophobicContact CG2-CZ 4.24Å |
| 326 | L | 81.8 | Confident | 72.3 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 18% | 0.178 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 131.7 | 173.2 | -77.2 | 167.7 | 0 | 0 | 0 | 110.1 | K284 E322 F323 V341 | K284-L326 HydrophobicContact CD-CD1 3.93Å; K284-L326 HydrophobicContact CG-CD1 4.02Å; E322-L326 PolarHBondContact O-N 3.36Å; F323-L326 HydrophobicContact CB-CD1 4.44Å; F323-L326 WeakPolarHBondContact O-CD1 3.26Å; F323-L326 WeakPolarHBondContact O-CG 3.26Å; F323-L326 PolarHBondContact O-N 2.95Å; L326-V341 WeakPolarHBondContact O-CG2 3.47Å |
| 327 | P | 75.8 | Confident | 71.8 | Confident | 65 Ų | 65 | 77 Ų | 77 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 150.9 | 177.6 | 30.6 | -35.6 | 0 | 0 | 0 | 111 | G329 E395 | P327-G329 PolarHBondContact O-N 3.3Å; P327-G329 VanDerWaalsContact O-N 3.16Å; P327-E395 WeakPolarHBondContact CB-OE1 3.34Å |
| 328 | S | 69.8 | Low | 71.9 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 117.1 | 173.7 | -42.4 | 0 | 0 | 0 | 0 | 108.8 | D342 | S328-D342 WeakPolarHBondContact CB-OD1 3.37Å; S328-D342 PolarHBondContact OG-OD1 3.07Å |
| 329 | G | 61.9 | Low | 72.3 | Confident | 21 Ų | 21 | 73.2 Ų | 73.2 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | trans | -128.5 | 137.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P327 Y337 | P327-G329 PolarHBondContact O-N 3.3Å; P327-G329 VanDerWaalsContact O-N 3.16Å; G329-Y337 WeakPolarHBondContact O-CE1 3.1Å | ||
| 330 | K | 54.6 | Low | 72.7 | Confident | 187 Ų | 187 | 67.4 Ų | 67.4 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | trans | -95.2 | 109.4 | 158.8 | -67.4 | 179.5 | -178.5 | 176.2 | 0 | 106.5 | ||||
| 331 | E | 46.5 | Very low | 72.8 | Confident | 117 Ų | 117 | 67.5 Ų | 67.5 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | trans | -63.5 | 139.5 | 165.9 | -91.4 | -178.1 | -175.4 | 0 | 0 | 108.9 | N333 S334 Y337 | E331-N333 PolarHBondContact O-N 2.87Å; E331-S334 VanDerWaalsContact CB-OG 3.26Å; E331-S334 WeakPolarHBondContact CB-OG 3.35Å; E331-S334 PolarHBondContact O-N 3.19Å; E331-Y337 HydrophobicContact CG-CE1 4.25Å | ||
| 332 | S | 47.1 | Very low | 73 | Confident | 118 Ų | 118 | 68.1 Ų | 68.1 | 83% | 0.825 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 4.1 | -160.3 | 56.7 | 0 | 0 | 0 | 0 | 118.2 | ||
| 333 | N | 50 | Low | 73.3 | Confident | 173 Ų | 173 | 62.1 Ų | 62.1 | 93% | 0.925 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161 | 24 | 168.5 | -87.8 | -36.1 | 0 | 0 | 0 | 114.3 | E331 | E331-N333 PolarHBondContact O-N 2.87Š|
| 334 | S | 51.7 | Low | 73.4 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -133.2 | 161.9 | -173.9 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | E331 S336 | E331-S334 VanDerWaalsContact CB-OG 3.26Å; E331-S334 WeakPolarHBondContact CB-OG 3.35Å; E331-S334 PolarHBondContact O-N 3.19Å; S334-S336 PolarHBondContact O-N 2.84Å |
| 335 | V | 59.6 | Low | 73.4 | Confident | 130 Ų | 130 | 61.3 Ų | 61.3 | 79% | 0.788 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -46.3 | 133.9 | 180 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | Y337 | V335-Y337 PolarHBondContact O-N 2.88Š|
| 336 | S | 65.6 | Low | 73.5 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 123.3 | 174.8 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | S334 | S334-S336 PolarHBondContact O-N 2.84Š|
| 337 | Y | 78.5 | Confident | 73.9 | Confident | 66 Ų | 66 | 61 Ų | 61 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 146.3 | 172.6 | 61.7 | -94.5 | 0 | 0 | 0 | 110.1 | L288 G329 E331 V335 T339 | L288-Y337 HydrophobicContact CD1-CD2 4.47Å; L288-Y337 HydrophobicContact CD2-CD2 3.8Å; L288-Y337 HydrophobicContact CD2-CE2 4.17Å; G329-Y337 WeakPolarHBondContact O-CE1 3.1Å; E331-Y337 HydrophobicContact CG-CE1 4.25Å; V335-Y337 PolarHBondContact O-N 2.88Å; Y337-T339 HydrophobicContact CD2-CG2 3.92Å; Y337-T339 HydrophobicContact CE2-CG2 3.61Å |
| 338 | Y | 87.3 | Confident | 74.4 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 41% | 0.408 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 142.7 | 172.1 | -68.1 | -77.2 | 0 | 0 | 0 | 110.1 | S291 H295 D342 | S291-Y338 WeakPolarHBondContact CB-O 3Å; H295-Y338 HydrophobicContact CB-CD1 4.27Å; H295-Y338 HydrophobicContact CB-CD2 3.85Å; H295-Y338 HydrophobicContact CB-CE1 4.16Å; H295-Y338 HydrophobicContact CB-CE2 3.73Å; H295-Y338 HydrophobicContact CB-CG 4.12Å; H295-Y338 AromaticContact CD2-CD1 3.77Å; H295-Y338 AromaticContact CD2-CE1 3.66Å; H295-Y338 AromaticContact CE1-CD1 3.61Å; H295-Y338 AromaticContact CE1-CG 3.97Å; H295-Y338 AromaticContact CG-CD1 3.6Å; H295-Y338 AromaticContact CG-CE1 3.73Å; H295-Y338 AromaticContact CG-CG 3.75Å; H295-Y338 AromaticContact CG-CZ 3.99Å; H295-Y338 AromaticContact ND1-CD1 3.5Å; H295-Y338 AromaticContact ND1-CG 3.47Å; H295-Y338 AromaticContact NE2-CD1 3.8Å; Y338-D342 HydrophobicContact CD1-CB 4.25Å |
| 339 | T | 88.9 | Confident | 75 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -108.5 | 164.1 | 175.7 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | L288 S291 Y337 V341 D342 C343 | L288-T339 HydrophobicContact CD2-CG2 4.45Å; S291-T339 PolarHBondContact OG-O 3.47Å; Y337-T339 HydrophobicContact CD2-CG2 3.92Å; Y337-T339 HydrophobicContact CE2-CG2 3.61Å; T339-V341 PolarHBondContact O-N 3.27Å; T339-V341 PolarHBondContact OG1-N 3.15Å; T339-D342 WeakPolarHBondContact CB-OD2 3.5Å; T339-D342 PolarHBondContact N-OD2 3.1Å; T339-D342 WeakPolarHBondContact O-CB 3.48Å; T339-D342 PolarHBondContact O-N 3.36Å; T339-D342 PolarHBondContact OG1-N 3.48Å; T339-D342 PolarHBondContact OG1-OD2 2.73Å; T339-C343 PolarHBondContact O-N 3.38Å; T339-C343 VanDerWaalsContact O-N 3.13Å; T339-C343 PolarHBondContact O-SG 2.94Å; T339-C343 VanDerWaalsContact O-SG 3.38Å | ||
| 340 | P | 89.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -29.5 | 171.9 | -27.6 | 38.4 | 0 | 0 | 0 | 112.6 | I287 S291 F311 L324 D342 C343 I344 | I287-P340 HydrophobicContact CG2-CG 3.27Å; S291-P340 WeakPolarHBondContact OG-CD 3.45Å; S291-P340 VanDerWaalsContact OG-N 3.1Å; F311-P340 HydrophobicContact CD2-CB 4.04Å; F311-P340 HydrophobicContact CE2-CB 3.9Å; F311-P340 HydrophobicContact CE2-CG 4.22Å; F311-P340 HydrophobicContact CZ-CB 4.34Å; F311-P340 HydrophobicContact CZ-CG 4.15Å; L324-P340 HydrophobicContact CD2-CB 3.92Å; L324-P340 HydrophobicContact CD2-CG 3.87Å; P340-D342 VanDerWaalsContact C-N 3.34Å; P340-C343 WeakPolarHBondContact O-CB 3.01Å; P340-C343 PolarHBondContact O-N 3.2Å; P340-I344 WeakPolarHBondContact O-CG1 3.16Å; P340-I344 PolarHBondContact O-N 3.37Å |
| 341 | V | 89 | Confident | 76.6 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 111 | L326 T339 C343 I344 K345 F396 F398 | L326-V341 WeakPolarHBondContact O-CG2 3.47Å; T339-V341 PolarHBondContact O-N 3.27Å; T339-V341 PolarHBondContact OG1-N 3.15Å; V341-C343 VanDerWaalsContact C-N 3.33Å; V341-C343 PolarHBondContact O-N 3.44Å; V341-I344 PolarHBondContact O-N 3.4Å; V341-K345 WeakPolarHBondContact O-CG 3.35Å; V341-K345 PolarHBondContact O-N 3.03Å; V341-F396 HydrophobicContact CG1-CB 3.64Å; V341-F396 HydrophobicContact CG1-CD1 4.34Å; V341-F396 HydrophobicContact CG1-CG 4.44Å; V341-F398 HydrophobicContact CG2-CE2 3.74Å; V341-F398 HydrophobicContact CG2-CZ 3.95Å |
| 342 | D | 88.8 | Confident | 78 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.3 | -56.1 | -49 | 0 | 0 | 0 | 111.4 | S328 Y338 T339 P340 I344 K345 S346 | S328-D342 WeakPolarHBondContact CB-OD1 3.37Å; S328-D342 PolarHBondContact OG-OD1 3.07Å; Y338-D342 HydrophobicContact CD1-CB 4.25Å; T339-D342 WeakPolarHBondContact CB-OD2 3.5Å; T339-D342 PolarHBondContact N-OD2 3.1Å; T339-D342 WeakPolarHBondContact O-CB 3.48Å; T339-D342 PolarHBondContact O-N 3.36Å; T339-D342 PolarHBondContact OG1-N 3.48Å; T339-D342 PolarHBondContact OG1-OD2 2.73Å; P340-D342 VanDerWaalsContact C-N 3.34Å; D342-I344 PolarHBondContact O-N 3.22Å; D342-K345 PolarHBondContact O-N 3.29Å; D342-S346 WeakPolarHBondContact O-CB 3.38Å; D342-S346 PolarHBondContact O-N 3.12Å |
| 343 | C | 91.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.2 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | Y294 L308 F311 T339 P340 V341 S346 A347 | Y294-C343 HydrophobicContact CD1-CB 3.94Å; Y294-C343 HydrophobicContact CD2-CB 4.12Å; Y294-C343 HydrophobicContact CE1-CB 4.15Å; Y294-C343 HydrophobicContact CE2-CB 4.27Å; Y294-C343 HydrophobicContact CG-CB 3.96Å; L308-C343 HydrophobicContact CD2-CB 4.22Å; F311-C343 HydrophobicContact CE2-CB 4.3Å; T339-C343 PolarHBondContact O-N 3.38Å; T339-C343 VanDerWaalsContact O-N 3.13Å; T339-C343 PolarHBondContact O-SG 2.94Å; T339-C343 VanDerWaalsContact O-SG 3.38Å; P340-C343 WeakPolarHBondContact O-CB 3.01Å; P340-C343 PolarHBondContact O-N 3.2Å; V341-C343 VanDerWaalsContact C-N 3.33Å; V341-C343 PolarHBondContact O-N 3.44Å; C343-S346 PolarHBondContact O-N 3.33Å; C343-A347 VanDerWaalsContact O-CB 3.28Å; C343-A347 WeakPolarHBondContact O-CB 3.4Å; C343-A347 PolarHBondContact O-N 2.86Å |
| 344 | I | 90.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -49.2 | 175.9 | -67.1 | 164.4 | 0 | 0 | 0 | 109.8 | P340 V341 D342 S346 A347 L348 L363 A364 L367 F398 | P340-I344 WeakPolarHBondContact O-CG1 3.16Å; P340-I344 PolarHBondContact O-N 3.37Å; V341-I344 PolarHBondContact O-N 3.4Å; D342-I344 PolarHBondContact O-N 3.22Å; I344-S346 PolarHBondContact O-N 3.44Å; I344-A347 PolarHBondContact O-N 3.2Å; I344-L348 HydrophobicContact CG2-CD1 3.76Å; I344-L348 HydrophobicContact CG2-CG 4.21Å; I344-L348 WeakPolarHBondContact O-CB 3.3Å; I344-L348 VanDerWaalsContact O-CG 3.25Å; I344-L348 WeakPolarHBondContact O-CG 3.17Å; I344-L348 PolarHBondContact O-N 3.45Å; I344-L363 HydrophobicContact CD1-CD2 3.74Å; I344-L363 HydrophobicContact CD1-CG 3.85Å; I344-L363 HydrophobicContact CG1-CD2 3.74Å; I344-L363 HydrophobicContact CG1-CG 4.23Å; I344-A364 HydrophobicContact CG2-CB 4.11Å; I344-L367 HydrophobicContact CD1-CD1 3.96Å; I344-F398 HydrophobicContact CD1-CE1 4.11Å; I344-F398 HydrophobicContact CD1-CZ 4.05Å |
| 345 | K | 87.7 | Confident | 83.1 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 15% | 0.152 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 177.3 | -74.5 | 177.7 | 172.1 | -170.7 | 0 | 111.6 | V341 D342 A347 L348 K349 I394 | V341-K345 WeakPolarHBondContact O-CG 3.35Å; V341-K345 PolarHBondContact O-N 3.03Å; D342-K345 PolarHBondContact O-N 3.29Å; K345-A347 VanDerWaalsContact C-N 3.32Å; K345-A347 PolarHBondContact O-N 2.92Å; K345-L348 PolarHBondContact O-N 3.09Å; K345-K349 WeakPolarHBondContact O-CG 3.42Å; K345-K349 PolarHBondContact O-N 3.35Å; K345-I394 WeakPolarHBondContact CE-O 3.22Å; K345-I394 PolarHBondContact NZ-O 2.93Å |
| 346 | S | 87.6 | Confident | 84.5 | Confident | 37 Ų | 37 | 29.7 Ų | 29.7 | 26% | 0.259 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 112 | D342 C343 I344 K349 D350 | D342-S346 WeakPolarHBondContact O-CB 3.38Å; D342-S346 PolarHBondContact O-N 3.12Å; C343-S346 PolarHBondContact O-N 3.33Å; I344-S346 PolarHBondContact O-N 3.44Å; S346-K349 PolarHBondContact O-N 3.2Å; S346-D350 PolarHBondContact O-N 3.4Å |
| 347 | A | 90 | Very high | 85.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y294 L308 C343 I344 K345 K349 D350 L356 A360 | Y294-A347 WeakPolarHBondContact OH-CB 3.32Å; L308-A347 HydrophobicContact CD1-CB 3.74Å; C343-A347 VanDerWaalsContact O-CB 3.28Å; C343-A347 WeakPolarHBondContact O-CB 3.4Å; C343-A347 PolarHBondContact O-N 2.86Å; I344-A347 PolarHBondContact O-N 3.2Å; K345-A347 VanDerWaalsContact C-N 3.32Å; K345-A347 PolarHBondContact O-N 2.92Å; A347-K349 VanDerWaalsContact C-N 3.34Å; A347-D350 PolarHBondContact O-N 2.93Å; A347-L356 HydrophobicContact CB-CD1 4.4Å; A347-L356 HydrophobicContact CB-CG 4.11Å; A347-A360 HydrophobicContact CB-CB 3.56Å |
| 348 | L | 86.2 | Confident | 86.2 | Confident | 8 Ų | 8 | 23.2 Ų | 23.2 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.9 | -33.4 | 176.7 | -68.3 | 172.9 | 0 | 0 | 0 | 111.8 | I344 K345 D350 L357 A360 I361 L406 H410 | I344-L348 HydrophobicContact CG2-CD1 3.76Å; I344-L348 HydrophobicContact CG2-CG 4.21Å; I344-L348 WeakPolarHBondContact O-CB 3.3Å; I344-L348 VanDerWaalsContact O-CG 3.25Å; I344-L348 WeakPolarHBondContact O-CG 3.17Å; I344-L348 PolarHBondContact O-N 3.45Å; K345-L348 PolarHBondContact O-N 3.09Å; L348-D350 VanDerWaalsContact C-N 3.31Å; L348-L357 HydrophobicContact CD2-CD1 3.8Å; L348-A360 HydrophobicContact CD2-CB 3.9Å; L348-A360 HydrophobicContact CG-CB 4.15Å; L348-I361 HydrophobicContact CD2-CG1 3.99Å; L348-L406 HydrophobicContact CD1-CD1 3.69Å; L348-L406 HydrophobicContact CD1-CD2 4.32Å; L348-H410 PolarHBondContact O-CE1 3.39Å |
| 349 | K | 81.6 | Confident | 86.5 | Confident | 77 Ų | 77 | 18.5 Ų | 18.5 | 34% | 0.335 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -69.8 | -26 | 173 | -69.5 | -179.9 | -177.7 | -164.2 | 0 | 112.9 | K345 S346 A347 A351 I389 D392 | K345-K349 WeakPolarHBondContact O-CG 3.42Å; K345-K349 PolarHBondContact O-N 3.35Å; S346-K349 PolarHBondContact O-N 3.2Å; A347-K349 VanDerWaalsContact C-N 3.34Å; K349-A351 PolarHBondContact O-N 3.08Å; K349-A351 VanDerWaalsContact O-N 3.09Å; K349-I389 HydrophobicContact CD-CG2 4.33Å; K349-I389 VanDerWaalsContact CE-C 3.43Å; K349-I389 WeakPolarHBondContact CE-O 3.4Å; K349-I389 HydrophobicContact CG-CB 4.43Å; K349-I389 HydrophobicContact CG-CG2 3.53Å; K349-I389 PolarHBondContact NZ-O 3.44Å; K349-D392 IonicContact NZ-OD1 3.28Å; K349-D392 PolarHBondContact NZ-OD1 2.81Å |
| 350 | D | 81.1 | Confident | 86.7 | Confident | 37 Ų | 37 | 18.5 Ų | 18.5 | 20% | 0.198 | 11% | 0.105 | C | C | . | . | trans | -81.2 | 89.4 | -176 | -170.3 | -2.1 | 0 | 0 | 0 | 112.2 | S346 A347 L348 S352 L356 | S346-D350 PolarHBondContact O-N 3.4Å; A347-D350 PolarHBondContact O-N 2.93Å; L348-D350 VanDerWaalsContact C-N 3.31Å; D350-S352 PolarHBondContact O-N 2.95Å; D350-S352 VanDerWaalsContact O-N 3.16Å; D350-S352 WeakPolarHBondContact OD1-CB 3.49Å; D350-S352 PolarHBondContact OD1-N 2.92Å; D350-S352 PolarHBondContact OD1-OG 3.21Å; D350-S352 PolarHBondContact OD2-OG 3.39Å; D350-L356 HydrophobicContact CB-CD2 4.31Å | ||
| 351 | A | 69.6 | Low | 86.8 | Confident | 40 Ų | 40 | 18.8 Ų | 18.8 | 33% | 0.331 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K349 Q425 | K349-A351 PolarHBondContact O-N 3.08Å; K349-A351 VanDerWaalsContact O-N 3.09Å; A351-Q425 PolarHBondContact O-NE2 3.07Å |
| 352 | S | 76.3 | Confident | 87 | Confident | 69 Ų | 69 | 19 Ų | 19 | 48% | 0.483 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -8.7 | -170.5 | 76.6 | 0 | 0 | 0 | 0 | 114.8 | K301 D350 | K301-S352 WeakPolarHBondContact CE-OG 3.45Å; K301-S352 PolarHBondContact NZ-OG 3.32Å; D350-S352 PolarHBondContact O-N 2.95Å; D350-S352 VanDerWaalsContact O-N 3.16Å; D350-S352 WeakPolarHBondContact OD1-CB 3.49Å; D350-S352 PolarHBondContact OD1-N 2.92Å; D350-S352 PolarHBondContact OD1-OG 3.21Å; D350-S352 PolarHBondContact OD2-OG 3.39Å |
| 353 | S | 82.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | trans | -137.7 | 112.3 | -179.5 | 166.6 | 0 | 0 | 0 | 0 | 111.3 | Y355 L356 L357 | S353-Y355 WeakPolarHBondContact OG-CD1 3.46Å; S353-Y355 WeakPolarHBondContact OG-CE1 3.46Å; S353-Y355 WeakPolarHBondContact OG-CE2 3.44Å; S353-L356 PolarHBondContact O-N 2.97Å; S353-L356 WeakPolarHBondContact OG-CB 3.47Å; S353-L356 PolarHBondContact OG-N 3.15Å; S353-L356 VanDerWaalsContact OG-N 3.15Å; S353-L357 PolarHBondContact O-N 3.2Å | ||
| 354 | A | 85.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L357 V358 W429 D433 I436 | A354-L357 PolarHBondContact O-N 2.87Å; A354-V358 WeakPolarHBondContact O-CB 3.18Å; A354-V358 WeakPolarHBondContact O-CG2 3.45Å; A354-V358 PolarHBondContact O-N 3.48Å; A354-W429 HydrophobicContact CB-CE3 3.82Å; A354-W429 HydrophobicContact CB-CZ3 3.96Å; A354-D433 HydrophobicContact CB-CB 4.02Å; A354-D433 WeakPolarHBondContact CB-OD2 3.23Å; A354-I436 HydrophobicContact CB-CD1 4.07Å; A354-I436 HydrophobicContact CB-CG1 3.89Å |
| 355 | Y | 87.9 | Confident | 87.4 | Confident | 43 Ų | 43 | 17.7 Ų | 17.7 | 17% | 0.169 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.4 | -37.1 | 178.9 | 63 | -92.1 | 0 | 0 | 0 | 112.4 | K301 S353 V358 H359 Q435 | K301-Y355 WeakPolarHBondContact CB-OH 3.41Å; S353-Y355 WeakPolarHBondContact OG-CD1 3.46Å; S353-Y355 WeakPolarHBondContact OG-CE1 3.46Å; S353-Y355 WeakPolarHBondContact OG-CE2 3.44Å; Y355-V358 WeakPolarHBondContact O-CB 3.26Å; Y355-V358 PolarHBondContact O-N 3.2Å; Y355-H359 PolarHBondContact O-N 2.97Å; Y355-H359 VanDerWaalsContact O-N 3.1Å; Y355-H359 PolarHBondContact O-ND1 3.31Å; Y355-Q435 HydrophobicContact CD1-CB 4.01Å |
| 356 | L | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.6 | -176.7 | 65.1 | 0 | 0 | 0 | 110.7 | K304 L308 A347 D350 S353 V358 H359 A360 | K304-L356 HydrophobicContact CB-CD1 3.75Å; K304-L356 HydrophobicContact CB-CD2 4.46Å; K304-L356 HydrophobicContact CD-CD2 4.48Å; L308-L356 HydrophobicContact CD1-CD1 3.68Å; A347-L356 HydrophobicContact CB-CD1 4.4Å; A347-L356 HydrophobicContact CB-CG 4.11Å; D350-L356 HydrophobicContact CB-CD2 4.31Å; S353-L356 PolarHBondContact O-N 2.97Å; S353-L356 WeakPolarHBondContact OG-CB 3.47Å; S353-L356 PolarHBondContact OG-N 3.15Å; S353-L356 VanDerWaalsContact OG-N 3.15Å; L356-V358 VanDerWaalsContact C-N 3.3Å; L356-V358 PolarHBondContact O-N 2.95Å; L356-H359 PolarHBondContact O-N 3.29Å; L356-A360 WeakPolarHBondContact O-CB 3.3Å; L356-A360 PolarHBondContact O-N 3.29Å |
| 357 | L | 89.1 | Confident | 87.9 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 174.2 | 178.5 | 60 | 0 | 0 | 0 | 111.6 | L348 S353 A354 A360 I361 W429 | L348-L357 HydrophobicContact CD2-CD1 3.8Å; S353-L357 PolarHBondContact O-N 3.2Å; A354-L357 PolarHBondContact O-N 2.87Å; L357-A360 WeakPolarHBondContact O-CB 3.25Å; L357-A360 PolarHBondContact O-N 3.19Å; L357-I361 HydrophobicContact CD1-CD1 3.92Å; L357-I361 HydrophobicContact CD1-CG1 4.15Å; L357-I361 HydrophobicContact CG-CD1 3.86Å; L357-I361 HydrophobicContact CG-CG1 4.47Å; L357-I361 VanDerWaalsContact O-CG1 3.3Å; L357-I361 WeakPolarHBondContact O-CG1 3.29Å; L357-I361 PolarHBondContact O-N 2.91Å; L357-W429 HydrophobicContact CB-CH2 4.44Å; L357-W429 HydrophobicContact CD2-CH2 3.68Å; L357-W429 HydrophobicContact CD2-CZ2 3.46Å; L357-W429 VanDerWaalsContact CD2-CZ2 3.46Å; L357-W429 HydrophobicContact CD2-CZ3 4.28Å; L357-W429 HydrophobicContact CG-CH2 3.92Å; L357-W429 HydrophobicContact CG-CZ2 4.06Å |
| 358 | V | 90.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 177 | 158.7 | 0 | 0 | 0 | 0 | 111.6 | A354 Y355 L356 A360 I361 Q362 W429 I436 D440 I444 | A354-V358 WeakPolarHBondContact O-CB 3.18Å; A354-V358 WeakPolarHBondContact O-CG2 3.45Å; A354-V358 PolarHBondContact O-N 3.48Å; Y355-V358 WeakPolarHBondContact O-CB 3.26Å; Y355-V358 PolarHBondContact O-N 3.2Å; L356-V358 VanDerWaalsContact C-N 3.3Å; L356-V358 PolarHBondContact O-N 2.95Å; V358-A360 VanDerWaalsContact C-N 3.32Å; V358-A360 PolarHBondContact O-N 2.81Å; V358-I361 PolarHBondContact O-N 3.46Å; V358-Q362 VanDerWaalsContact O-CG 3.24Å; V358-Q362 WeakPolarHBondContact O-CG 3.43Å; V358-Q362 PolarHBondContact O-N 3.19Å; V358-W429 HydrophobicContact CG2-CH2 3.75Å; V358-W429 HydrophobicContact CG2-CZ3 3.65Å; V358-I436 HydrophobicContact CG2-CD1 4.2Å; V358-I436 HydrophobicContact CG2-CG1 4.21Å; V358-I436 HydrophobicContact CG2-CG2 4.11Å; V358-D440 HydrophobicContact CG1-CB 3.73Å; V358-I444 HydrophobicContact CB-CD1 3.9Å; V358-I444 HydrophobicContact CG1-CD1 3.54Å; V358-I444 HydrophobicContact CG1-CG1 4.25Å; V358-I444 HydrophobicContact CG2-CD1 3.7Å |
| 359 | H | 93.3 | Very high | 88 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.023 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.1 | -34 | 178.9 | -60.7 | 153 | 0 | 0 | 0 | 112.3 | S305 L308 Q309 Y355 L356 Q362 L363 D440 | S305-H359 PolarHBondContact OG-CE1 3.11Å; S305-H359 PolarHBondContact OG-ND1 3.5Å; L308-H359 HydrophobicContact CB-CB 3.93Å; L308-H359 HydrophobicContact CD1-CB 4.23Å; Q309-H359 PolarHBondContact NE2-CE1 2.99Å; Q309-H359 PolarHBondContact NE2-NE2 3.42Å; Q309-H359 VanDerWaalsContact NE2-NE2 3.11Å; Y355-H359 PolarHBondContact O-N 2.97Å; Y355-H359 VanDerWaalsContact O-N 3.1Å; Y355-H359 PolarHBondContact O-ND1 3.31Å; L356-H359 PolarHBondContact O-N 3.29Å; H359-Q362 PolarHBondContact CD2-OE1 3.33Å; H359-Q362 PolarHBondContact O-N 2.87Å; H359-L363 WeakPolarHBondContact O-CB 3.34Å; H359-L363 PolarHBondContact O-N 3.01Å; H359-D440 IonicContact CD2-OD2 3.8Å; H359-D440 IonicContact CE1-OD2 2.99Å; H359-D440 IonicContact NE2-OD1 3.26Å; H359-D440 IonicContact NE2-OD2 3.05Å; H359-D440 PolarHBondContact NE2-OD2 3.04Å |
| 360 | A | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L308 A347 L348 L356 L357 V358 L363 A364 | L308-A360 HydrophobicContact CD1-CB 4.02Å; A347-A360 HydrophobicContact CB-CB 3.56Å; L348-A360 HydrophobicContact CD2-CB 3.9Å; L348-A360 HydrophobicContact CG-CB 4.15Å; L356-A360 WeakPolarHBondContact O-CB 3.3Å; L356-A360 PolarHBondContact O-N 3.29Å; L357-A360 WeakPolarHBondContact O-CB 3.25Å; L357-A360 PolarHBondContact O-N 3.19Å; V358-A360 VanDerWaalsContact C-N 3.32Å; V358-A360 PolarHBondContact O-N 2.81Å; A360-L363 PolarHBondContact O-N 3.29Å; A360-A364 VanDerWaalsContact O-CB 3.27Å; A360-A364 WeakPolarHBondContact O-CB 3.34Å; A360-A364 PolarHBondContact O-N 3.06Å |
| 361 | I | 91.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 20.7 Ų | 20.7 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.5 | -68.6 | 168.9 | 0 | 0 | 0 | 110.6 | L348 L357 V358 L363 A364 C365 L407 H410 F411 W429 | L348-I361 HydrophobicContact CD2-CG1 3.99Å; L357-I361 HydrophobicContact CD1-CD1 3.92Å; L357-I361 HydrophobicContact CD1-CG1 4.15Å; L357-I361 HydrophobicContact CG-CD1 3.86Å; L357-I361 HydrophobicContact CG-CG1 4.47Å; L357-I361 VanDerWaalsContact O-CG1 3.3Å; L357-I361 WeakPolarHBondContact O-CG1 3.29Å; L357-I361 PolarHBondContact O-N 2.91Å; V358-I361 PolarHBondContact O-N 3.46Å; I361-L363 PolarHBondContact O-N 2.77Å; I361-A364 PolarHBondContact O-N 2.79Å; I361-C365 WeakPolarHBondContact O-CB 3.42Å; I361-C365 PolarHBondContact O-N 3.17Å; I361-L407 HydrophobicContact CG2-CD2 3.9Å; I361-H410 HydrophobicContact CD1-CB 4.48Å; I361-F411 HydrophobicContact CD1-CE2 4.15Å; I361-F411 HydrophobicContact CD1-CZ 4.39Å; I361-W429 HydrophobicContact CD1-CH2 4.38Å; I361-W429 HydrophobicContact CD1-CZ2 4.22Å |
| 362 | Q | 94.3 | Very high | 88.1 | Confident | 7 Ų | 7 | 19.6 Ų | 19.6 | 3% | 0.033 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 177.1 | -72.8 | 170.7 | -6.1 | 0 | 0 | 111.6 | Y312 V358 H359 K366 D440 I444 L447 | Y312-Q362 HydrophobicContact CD2-CB 4.15Å; Y312-Q362 HydrophobicContact CE2-CB 4.11Å; V358-Q362 VanDerWaalsContact O-CG 3.24Å; V358-Q362 WeakPolarHBondContact O-CG 3.43Å; V358-Q362 PolarHBondContact O-N 3.19Å; H359-Q362 PolarHBondContact CD2-OE1 3.33Å; H359-Q362 PolarHBondContact O-N 2.87Å; Q362-K366 WeakPolarHBondContact O-CB 3.49Å; Q362-K366 PolarHBondContact O-N 3.37Å; Q362-D440 PolarHBondContact NE2-O 3.32Å; Q362-I444 HydrophobicContact CG-CD1 4.39Å; Q362-I444 HydrophobicContact CG-CG1 3.49Å; Q362-I444 VanDerWaalsContact CG-CG1 3.49Å; Q362-L447 HydrophobicContact CB-CD1 3.82Å; Q362-L447 HydrophobicContact CG-CD1 4Å |
| 363 | L | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 179.2 | -179.5 | 59.3 | 0 | 0 | 0 | 111.9 | L308 F311 T315 I344 H359 A360 I361 C365 K366 L367 | L308-L363 HydrophobicContact CD2-CD2 4.13Å; F311-L363 HydrophobicContact CB-CD1 4.19Å; F311-L363 HydrophobicContact CB-CD2 3.64Å; F311-L363 HydrophobicContact CD2-CD2 4.22Å; F311-L363 HydrophobicContact CG-CD2 4.46Å; T315-L363 HydrophobicContact CG2-CD1 3.88Å; I344-L363 HydrophobicContact CD1-CD2 3.74Å; I344-L363 HydrophobicContact CD1-CG 3.85Å; I344-L363 HydrophobicContact CG1-CD2 3.74Å; I344-L363 HydrophobicContact CG1-CG 4.23Å; H359-L363 WeakPolarHBondContact O-CB 3.34Å; H359-L363 PolarHBondContact O-N 3.01Å; A360-L363 PolarHBondContact O-N 3.29Å; I361-L363 PolarHBondContact O-N 2.77Å; L363-C365 VanDerWaalsContact C-N 3.34Å; L363-C365 PolarHBondContact O-N 3.38Å; L363-K366 PolarHBondContact O-N 2.76Å; L363-L367 HydrophobicContact CD1-CD1 3.85Å; L363-L367 HydrophobicContact CD1-CG 4.02Å; L363-L367 HydrophobicContact CG-CD1 3.97Å; L363-L367 HydrophobicContact CG-CG 4.5Å; L363-L367 WeakPolarHBondContact O-CB 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.41Å; L363-L367 PolarHBondContact O-N 3.31Å |
| 364 | A | 92.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I344 A360 I361 T368 F396 L403 | I344-A364 HydrophobicContact CG2-CB 4.11Å; A360-A364 VanDerWaalsContact O-CB 3.27Å; A360-A364 WeakPolarHBondContact O-CB 3.34Å; A360-A364 PolarHBondContact O-N 3.06Å; I361-A364 PolarHBondContact O-N 2.79Å; A364-T368 WeakPolarHBondContact O-CB 3.41Å; A364-T368 PolarHBondContact O-N 3.2Å; A364-T368 PolarHBondContact O-OG1 3.41Å; A364-F396 HydrophobicContact CB-CE1 4.31Å; A364-F396 HydrophobicContact CB-CZ 4.34Å; A364-L403 HydrophobicContact CB-CD1 4.06Å |
| 365 | C | 92.4 | Very high | 85.4 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -49.1 | 177.2 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | I361 L363 L367 T368 I369 L403 L447 | I361-C365 WeakPolarHBondContact O-CB 3.42Å; I361-C365 PolarHBondContact O-N 3.17Å; L363-C365 VanDerWaalsContact C-N 3.34Å; L363-C365 PolarHBondContact O-N 3.38Å; C365-L367 PolarHBondContact O-N 3.32Å; C365-T368 PolarHBondContact O-N 2.85Å; C365-I369 VanDerWaalsContact O-CG1 3.32Å; C365-I369 WeakPolarHBondContact O-CG1 3.41Å; C365-I369 PolarHBondContact O-N 2.99Å; C365-L403 HydrophobicContact CB-CD2 4.27Å; C365-L447 HydrophobicContact CB-CB 4.41Å |
| 366 | K | 93.6 | Very high | 83.8 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 179.8 | -168.6 | 166.7 | -177.1 | -164.9 | 0 | 112.9 | Y312 T315 Q362 L363 T368 I369 L370 L447 | Y312-K366 HydrophobicContact CD2-CB 4.46Å; Y312-K366 HydrophobicContact CD2-CD 3.91Å; Y312-K366 HydrophobicContact CE1-CD 4.45Å; Y312-K366 HydrophobicContact CE2-CB 4.04Å; Y312-K366 HydrophobicContact CE2-CD 3.33Å; Y312-K366 HydrophobicContact CE2-CG 4.33Å; T315-K366 HydrophobicContact CG2-CD 4.46Å; T315-K366 WeakPolarHBondContact OG1-CD 3.31Å; T315-K366 WeakPolarHBondContact OG1-CE 3.5Å; T315-K366 PolarHBondContact OG1-NZ 2.99Å; Q362-K366 WeakPolarHBondContact O-CB 3.49Å; Q362-K366 PolarHBondContact O-N 3.37Å; L363-K366 PolarHBondContact O-N 2.76Å; K366-T368 VanDerWaalsContact C-N 3.33Å; K366-T368 PolarHBondContact O-N 3.05Å; K366-I369 PolarHBondContact O-N 3.25Å; K366-L370 HydrophobicContact CG-CD1 4.21Å; K366-L370 WeakPolarHBondContact O-CG 3.29Å; K366-L370 PolarHBondContact O-N 3.37Å; K366-L370 VanDerWaalsContact O-N 3.09Å; K366-L447 HydrophobicContact CB-CD2 4.04Å; K366-L447 HydrophobicContact CD-CD2 4.37Å; K366-L447 HydrophobicContact CG-CD2 4.28Å |
| 367 | L | 91 | Very high | 82.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -37.4 | 176 | -71.3 | 174.9 | 0 | 0 | 0 | 112.2 | T315 V321 L324 T325 I344 L363 C365 L370 K371 F398 | T315-L367 HydrophobicContact CG2-CD2 3.71Å; T315-L367 HydrophobicContact CG2-CG 4.23Å; V321-L367 HydrophobicContact CG1-CD2 4.22Å; L324-L367 HydrophobicContact CB-CD1 4.34Å; L324-L367 HydrophobicContact CB-CD2 4.09Å; L324-L367 HydrophobicContact CD1-CD2 4.32Å; T325-L367 HydrophobicContact CG2-CB 4.42Å; T325-L367 HydrophobicContact CG2-CD1 4.29Å; T325-L367 HydrophobicContact CG2-CD2 3.94Å; T325-L367 HydrophobicContact CG2-CG 4.45Å; I344-L367 HydrophobicContact CD1-CD1 3.96Å; L363-L367 HydrophobicContact CD1-CD1 3.85Å; L363-L367 HydrophobicContact CD1-CG 4.02Å; L363-L367 HydrophobicContact CG-CD1 3.97Å; L363-L367 HydrophobicContact CG-CG 4.5Å; L363-L367 WeakPolarHBondContact O-CB 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.41Å; L363-L367 PolarHBondContact O-N 3.31Å; C365-L367 PolarHBondContact O-N 3.32Å; L367-L370 PolarHBondContact O-N 3.44Å; L367-K371 WeakPolarHBondContact O-CB 3.08Å; L367-K371 PolarHBondContact O-N 3.33Å; L367-F398 HydrophobicContact CB-CD1 3.63Å; L367-F398 HydrophobicContact CB-CE1 3.56Å; L367-F398 HydrophobicContact CB-CG 4.42Å; L367-F398 HydrophobicContact CB-CZ 4.32Å; L367-F398 HydrophobicContact CD1-CD1 4.45Å; L367-F398 HydrophobicContact CD1-CE1 3.55Å; L367-F398 HydrophobicContact CD1-CZ 3.69Å; L367-F398 HydrophobicContact CG-CE1 4.21Å |
| 368 | T | 90.2 | Very high | 80.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 174.6 | -56 | 0 | 0 | 0 | 0 | 111.7 | A364 C365 K366 L370 G372 F398 P400 L403 F451 | A364-T368 WeakPolarHBondContact O-CB 3.41Å; A364-T368 PolarHBondContact O-N 3.2Å; A364-T368 PolarHBondContact O-OG1 3.41Å; C365-T368 PolarHBondContact O-N 2.85Å; K366-T368 VanDerWaalsContact C-N 3.33Å; K366-T368 PolarHBondContact O-N 3.05Å; T368-L370 VanDerWaalsContact C-N 3.31Å; T368-L370 PolarHBondContact O-N 3.03Å; T368-G372 WeakPolarHBondContact O-CA 3.43Å; T368-G372 PolarHBondContact O-N 3.11Å; T368-F398 WeakPolarHBondContact CG2-O 3.14Å; T368-P400 HydrophobicContact CG2-CB 4.49Å; T368-P400 HydrophobicContact CG2-CG 4.31Å; T368-L403 HydrophobicContact CG2-CB 4.16Å; T368-L403 HydrophobicContact CG2-CD2 3.86Å; T368-F451 HydrophobicContact CG2-CD2 4.27Å; T368-F451 HydrophobicContact CG2-CE2 3.7Å |
| 369 | I | 88.1 | Confident | 78 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 173.8 | -66.9 | 162.3 | 0 | 0 | 0 | 111.1 | C365 K366 L447 E450 F451 | C365-I369 VanDerWaalsContact O-CG1 3.32Å; C365-I369 WeakPolarHBondContact O-CG1 3.41Å; C365-I369 PolarHBondContact O-N 2.99Å; K366-I369 PolarHBondContact O-N 3.25Å; I369-L447 HydrophobicContact CD1-CD2 4.33Å; I369-E450 HydrophobicContact CD1-CB 4.06Å; I369-E450 HydrophobicContact CD1-CG 4Å; I369-E450 HydrophobicContact CG2-CG 4.34Å; I369-F451 HydrophobicContact CD1-CB 4Å; I369-F451 HydrophobicContact CG1-CB 3.99Å; I369-F451 HydrophobicContact CG1-CD2 4.14Å |
| 370 | L | 86.5 | Confident | 75.4 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 48% | 0.482 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -80.6 | -33.1 | -175.3 | -67.2 | 171 | 0 | 0 | 0 | 114.2 | V321 K366 L367 T368 | V321-L370 HydrophobicContact CG1-CB 4.28Å; V321-L370 HydrophobicContact CG2-CD1 3.82Å; K366-L370 HydrophobicContact CG-CD1 4.21Å; K366-L370 WeakPolarHBondContact O-CG 3.29Å; K366-L370 PolarHBondContact O-N 3.37Å; K366-L370 VanDerWaalsContact O-N 3.09Å; L367-L370 PolarHBondContact O-N 3.44Å; T368-L370 VanDerWaalsContact C-N 3.31Å; T368-L370 PolarHBondContact O-N 3.03Å |
| 371 | K | 81 | Confident | 72.7 | Confident | 102 Ų | 102 | 67.9 Ų | 67.9 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -110.1 | -21.6 | -175.3 | -170.8 | 174.3 | -178.6 | 175.3 | 0 | 114 | T325 L367 E373 | T325-K371 VanDerWaalsContact CB-NZ 3.31Å; T325-K371 HydrophobicContact CG2-CD 3.81Å; T325-K371 PolarHBondContact O-NZ 3.43Å; T325-K371 PolarHBondContact OG1-NZ 3.46Å; L367-K371 WeakPolarHBondContact O-CB 3.08Å; L367-K371 PolarHBondContact O-N 3.33Å; K371-E373 PolarHBondContact O-N 3.48Å; K371-E373 VanDerWaalsContact O-N 3.17Å |
| 372 | G | 68.4 | Low | 70.2 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | trans | -62.8 | 116.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T368 F455 | T368-G372 WeakPolarHBondContact O-CA 3.43Å; T368-G372 PolarHBondContact O-N 3.11Å; G372-F455 WeakPolarHBondContact O-CZ 3.4Å | ||
| 373 | E | 66 | Low | 67.7 | Low | 163 Ų | 163 | 82.5 Ų | 82.5 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | trans | -82.6 | 145.8 | 163 | -67.6 | -177.4 | 174.5 | 0 | 0 | 109.3 | K371 D375 P400 | K371-E373 PolarHBondContact O-N 3.48Å; K371-E373 VanDerWaalsContact O-N 3.17Å; E373-D375 PolarHBondContact O-N 3.19Å; E373-P400 WeakPolarHBondContact O-CD 3.23Å | ||
| 374 | S | 57.9 | Low | 65 | Low | 105 Ų | 105 | 90 Ų | 90 | 73% | 0.734 | 45% | 0.448 | S | S | * | . | trans | -70.8 | 96.7 | -177.2 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 375 | D | 62.6 | Low | 62.5 | Low | 57 Ų | 57 | 91.8 Ų | 91.8 | 31% | 0.305 | 47% | 0.466 | S | S | . | . | trans | -77.8 | 150.1 | 171 | -69.4 | -50.2 | 0 | 0 | 0 | 112.3 | E373 L377 K399 Y458 | E373-D375 PolarHBondContact O-N 3.19Å; D375-L377 PolarHBondContact O-N 3.02Å; D375-K399 WeakPolarHBondContact OD2-CB 3.14Å; D375-K399 WeakPolarHBondContact OD2-CD 3.15Å; D375-K399 WeakPolarHBondContact OD2-CE 3.4Å; D375-K399 WeakPolarHBondContact OD2-CG 3.45Å; D375-Y458 PolarHBondContact O-OH 3.39Å | ||
| 376 | Q | 55.7 | Low | 60.1 | Low | 186 Ų | 186 | 98.4 Ų | 98.4 | 87% | 0.869 | 50% | 0.497 | S | S | * | . | trans | -64.7 | 127.1 | 171.3 | -69.6 | -174 | 4.1 | 0 | 0 | 110.1 | K378 | Q376-K378 PolarHBondContact O-N 3.01Š| ||
| 377 | L | 52.8 | Low | 57.8 | Low | 48 Ų | 48 | 98.4 Ų | 98.4 | 25% | 0.251 | 50% | 0.499 | S | S | . | . | trans | -63.6 | 99 | 173.7 | -132.3 | 150.3 | 0 | 0 | 0 | 108 | D375 Y379 Y458 | D375-L377 PolarHBondContact O-N 3.02Å; L377-Y379 PolarHBondContact O-N 3.1Å; L377-Y458 HydrophobicContact CB-CE1 4.46Å; L377-Y458 HydrophobicContact CD1-CD1 3.38Å; L377-Y458 HydrophobicContact CD1-CD2 4.4Å; L377-Y458 HydrophobicContact CD1-CE1 3.51Å; L377-Y458 HydrophobicContact CD1-CE2 4.49Å; L377-Y458 HydrophobicContact CD1-CG 3.89Å; L377-Y458 HydrophobicContact CG-CD1 3.84Å; L377-Y458 HydrophobicContact CG-CE1 3.51Å | ||
| 378 | K | 51.8 | Low | 55.6 | Low | 181 Ų | 181 | 100.6 Ų | 100.6 | 79% | 0.787 | 51% | 0.513 | S | S | * | . | trans | -67.6 | 100.3 | 170.3 | -71.4 | -175.5 | -179.7 | 179.6 | 0 | 107.1 | Q376 T380 | Q376-K378 PolarHBondContact O-N 3.01Å; K378-T380 PolarHBondContact O-N 3.1Å | ||
| 379 | Y | 42.9 | Very low | 53.7 | Low | 171 Ų | 171 | 101.9 Ų | 101.9 | 67% | 0.671 | 52% | 0.52 | S | S | * | . | trans | -63 | 91.2 | 164.5 | -81.6 | -95.5 | 0 | 0 | 0 | 107.1 | L377 D381 | L377-Y379 PolarHBondContact O-N 3.1Å; Y379-D381 PolarHBondContact O-N 3.11Å | ||
| 380 | T | 38.6 | Very low | 51.8 | Low | 85 Ų | 85 | 106.6 Ų | 106.6 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | trans | -85.4 | 103.8 | 163.1 | 52 | 0 | 0 | 0 | 0 | 106.3 | K378 D382 | K378-T380 PolarHBondContact O-N 3.1Å; T380-D382 PolarHBondContact O-N 3.46Å | ||
| 381 | D | 34.6 | Very low | 50.2 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 75% | 0.749 | 54% | 0.542 | S | S | * | . | trans | -51.5 | 127.5 | 169.9 | -71.4 | -31.4 | 0 | 0 | 0 | 110.3 | Y379 K383 | Y379-D381 PolarHBondContact O-N 3.11Å; D381-K383 PolarHBondContact O-N 3.25Å | ||
| 382 | D | 40.4 | Very low | 48.9 | Very low | 148 Ų | 148 | 107 Ų | 107 | 79% | 0.791 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 45.7 | 6.8 | 153.8 | -75.4 | -3.8 | 0 | 0 | 0 | 122.5 | T380 | T380-D382 PolarHBondContact O-N 3.46Š|
| 383 | K | 40.3 | Very low | 48.2 | Very low | 173 Ų | 173 | 113.2 Ų | 113.2 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -109.4 | 113.2 | 150.4 | -66.9 | -175 | -179.8 | -177.9 | 0 | 104.6 | D381 G385 | D381-K383 PolarHBondContact O-N 3.25Å; K383-G385 PolarHBondContact O-N 3.25Å |
| 384 | I | 38.5 | Very low | 47.8 | Very low | 157 Ų | 157 | 108.3 Ų | 108.3 | 81% | 0.805 | 56% | 0.56 | S | S | * | * | trans | -46 | 99.8 | 156.8 | -61.9 | 168.5 | 0 | 0 | 0 | 102.8 | E386 | I384-E386 PolarHBondContact O-N 2.95Š| ||
| 385 | G | 39.6 | Very low | 48.1 | Very low | 38 Ų | 38 | 107.7 Ų | 107.7 | 39% | 0.392 | 55% | 0.546 | S | S | . | . | trans | -65.5 | 89.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 101.3 | K383 I387 | K383-G385 PolarHBondContact O-N 3.25Å; G385-I387 PolarHBondContact O-N 2.85Å | ||
| 386 | E | 41.9 | Very low | 48.7 | Very low | 142 Ų | 142 | 105.7 Ų | 105.7 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | trans | -51.7 | 98.7 | 165.3 | -81.2 | 180 | 152.4 | 0 | 0 | 102.5 | I384 C388 | I384-E386 PolarHBondContact O-N 2.95Å; E386-C388 PolarHBondContact O-N 3.39Å | ||
| 387 | I | 45.9 | Very low | 49.6 | Very low | 40 Ų | 40 | 101 Ų | 101 | 21% | 0.205 | 51% | 0.513 | C | S | . | . | trans | -56 | 92.1 | 131.8 | -62.1 | -175 | 0 | 0 | 0 | 101.6 | G385 I389 I394 Q402 | G385-I387 PolarHBondContact O-N 2.85Å; I387-I389 PolarHBondContact O-N 3.44Å; I387-I394 HydrophobicContact CG2-CD1 4.26Å; I387-I394 HydrophobicContact CG2-CG2 4.48Å; I387-Q402 HydrophobicContact CD1-CG 3.7Å | ||
| 388 | C | 43.9 | Very low | 51 | Low | 45 Ų | 45 | 98.8 Ų | 98.8 | 30% | 0.304 | 50% | 0.501 | S | S | . | . | trans | -51.1 | 100.8 | 156.1 | -102.5 | 0 | 0 | 0 | 0 | 101.7 | E386 D390 D391 | E386-C388 PolarHBondContact O-N 3.39Å; C388-D390 HydrophobicContact CB-CB 4.06Å; C388-D390 PolarHBondContact O-N 3.42Å; C388-D390 VanDerWaalsContact O-N 3.08Å; C388-D391 HydrophobicContact CB-CB 4.05Å; C388-D391 PolarHBondContact O-N 2.97Å | ||
| 389 | I | 50.9 | Low | 52.5 | Low | 28 Ų | 28 | 94 Ų | 94 | 14% | 0.144 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -29.3 | 167.9 | -55 | 179.2 | 0 | 0 | 0 | 106.4 | K349 I387 D391 L406 | K349-I389 HydrophobicContact CD-CG2 4.33Å; K349-I389 VanDerWaalsContact CE-C 3.43Å; K349-I389 WeakPolarHBondContact CE-O 3.4Å; K349-I389 HydrophobicContact CG-CB 4.43Å; K349-I389 HydrophobicContact CG-CG2 3.53Å; K349-I389 PolarHBondContact NZ-O 3.44Å; I387-I389 PolarHBondContact O-N 3.44Å; I389-D391 VanDerWaalsContact C-N 3.28Å; I389-D391 PolarHBondContact O-N 3.31Å; I389-L406 HydrophobicContact CD1-CD2 3.53Å; I389-L406 HydrophobicContact CG1-CD2 3.81Å |
| 390 | D | 48.5 | Very low | 54.4 | Low | 120 Ų | 120 | 85.9 Ų | 85.9 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -27.1 | 169.4 | -61.3 | -20.2 | 0 | 0 | 0 | 116.1 | C388 D392 | C388-D390 HydrophobicContact CB-CB 4.06Å; C388-D390 PolarHBondContact O-N 3.42Å; C388-D390 VanDerWaalsContact O-N 3.08Å; D390-D392 PolarHBondContact O-N 3.3Å |
| 391 | D | 51.9 | Low | 56.5 | Low | 78 Ų | 78 | 82.8 Ų | 82.8 | 42% | 0.417 | 43% | 0.434 | S | S | . | . | trans | -81.2 | 93.7 | -178.3 | -150.4 | -8.2 | 0 | 0 | 0 | 109.7 | C388 I389 N393 I394 | C388-D391 HydrophobicContact CB-CB 4.05Å; C388-D391 PolarHBondContact O-N 2.97Å; I389-D391 VanDerWaalsContact C-N 3.28Å; I389-D391 PolarHBondContact O-N 3.31Å; D391-N393 PolarHBondContact O-N 3.02Å; D391-I394 HydrophobicContact CB-CD1 3.96Å; D391-I394 HydrophobicContact CB-CG1 4.14Å; D391-I394 PolarHBondContact O-N 3.1Å | ||
| 392 | D | 54.5 | Low | 58.9 | Low | 125 Ų | 125 | 77.1 Ų | 77.1 | 67% | 0.668 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.6 | -177.3 | -71.4 | -30 | 0 | 0 | 0 | 113.2 | K349 D390 | K349-D392 IonicContact NZ-OD1 3.28Å; K349-D392 PolarHBondContact NZ-OD1 2.81Å; D390-D392 PolarHBondContact O-N 3.3Å |
| 393 | N | 54 | Low | 61.1 | Low | 148 Ų | 148 | 70.2 Ų | 70.2 | 79% | 0.791 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.5 | 178.3 | -68.1 | -39.9 | 0 | 0 | 0 | 114.7 | D391 E395 | D391-N393 PolarHBondContact O-N 3.02Å; N393-E395 PolarHBondContact O-N 3.14Å |
| 394 | I | 56.5 | Low | 63.2 | Low | 60 Ų | 60 | 62.3 Ų | 62.3 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -82.8 | 112.4 | -178.3 | -59.2 | 176 | 0 | 0 | 0 | 109.4 | K345 I387 D391 | K345-I394 WeakPolarHBondContact CE-O 3.22Å; K345-I394 PolarHBondContact NZ-O 2.93Å; I387-I394 HydrophobicContact CG2-CD1 4.26Å; I387-I394 HydrophobicContact CG2-CG2 4.48Å; D391-I394 HydrophobicContact CB-CD1 3.96Å; D391-I394 HydrophobicContact CB-CG1 4.14Å; D391-I394 PolarHBondContact O-N 3.1Å |
| 395 | E | 65.1 | Low | 65.3 | Low | 92 Ų | 92 | 58.3 Ų | 58.3 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | trans | -65.1 | 133.4 | 175.9 | -164.8 | 179.6 | -159.6 | 0 | 0 | 110.8 | P327 N393 Q397 Q402 | P327-E395 WeakPolarHBondContact CB-OE1 3.34Å; N393-E395 PolarHBondContact O-N 3.14Å; E395-Q397 HydrophobicContact CB-CG 4.17Å; E395-Q397 HydrophobicContact CG-CG 4.05Å; E395-Q397 PolarHBondContact O-N 2.87Å; E395-Q397 PolarHBondContact OE2-NE2 3.13Å; E395-Q402 PolarHBondContact O-NE2 3.48Å; E395-Q402 VanDerWaalsContact O-NE2 3.09Å | ||
| 396 | F | 73.8 | Confident | 67.4 | Low | 14 Ų | 14 | 57.1 Ų | 57.1 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | trans | -86.6 | 94 | 175.5 | -166.4 | -108.6 | 0 | 0 | 0 | 108.8 | V341 A364 F398 Q402 L406 | V341-F396 HydrophobicContact CG1-CB 3.64Å; V341-F396 HydrophobicContact CG1-CD1 4.34Å; V341-F396 HydrophobicContact CG1-CG 4.44Å; A364-F396 HydrophobicContact CB-CE1 4.31Å; A364-F396 HydrophobicContact CB-CZ 4.34Å; F396-F398 VanDerWaalsContact C-N 3.29Å; F396-F398 AromaticContact CD1-CD1 3.83Å; F396-F398 HydrophobicContact CD1-CD1 3.83Å; F396-F398 HydrophobicContact CD1-CD2 4.18Å; F396-F398 AromaticContact CD1-CE1 3.62Å; F396-F398 HydrophobicContact CD1-CE1 3.62Å; F396-F398 AromaticContact CD1-CE2 3.98Å; F396-F398 HydrophobicContact CD1-CE2 3.98Å; F396-F398 HydrophobicContact CD1-CG 4.12Å; F396-F398 AromaticContact CD1-CZ 3.7Å; F396-F398 HydrophobicContact CD1-CZ 3.7Å; F396-F398 AromaticContact CE1-CD1 3.41Å; F396-F398 HydrophobicContact CE1-CD1 3.41Å; F396-F398 VanDerWaalsContact CE1-CD1 3.41Å; F396-F398 AromaticContact CE1-CE1 3.36Å; F396-F398 HydrophobicContact CE1-CE1 3.36Å; F396-F398 HydrophobicContact CE1-CG 4.05Å; F396-F398 AromaticContact CE1-CZ 3.96Å; F396-F398 HydrophobicContact CE1-CZ 3.96Å; F396-F398 HydrophobicContact CZ-CD1 4.42Å; F396-F398 PolarHBondContact O-N 3.11Å; F396-Q402 HydrophobicContact CD2-CG 4.08Å; F396-Q402 HydrophobicContact CE2-CG 3.89Å; F396-L406 HydrophobicContact CD2-CD1 4.26Å; F396-L406 HydrophobicContact CE2-CD1 3.19Å; F396-L406 HydrophobicContact CE2-CG 4.22Å; F396-L406 HydrophobicContact CZ-CD1 3.49Å; F396-L406 VanDerWaalsContact CZ-CD1 3.49Å | ||
| 397 | Q | 74.5 | Confident | 69.5 | Low | 88 Ų | 88 | 50.4 Ų | 50.4 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | trans | -88.4 | 8 | -171.2 | -67.6 | -176.5 | -7.3 | 0 | 0 | 113.1 | E395 K399 | E395-Q397 HydrophobicContact CB-CG 4.17Å; E395-Q397 HydrophobicContact CG-CG 4.05Å; E395-Q397 PolarHBondContact O-N 2.87Å; E395-Q397 PolarHBondContact OE2-NE2 3.13Å; Q397-K399 HydrophobicContact CB-CD 4.08Å; Q397-K399 HydrophobicContact CB-CG 3.87Å; Q397-K399 PolarHBondContact O-N 3.23Å; Q397-K399 VanDerWaalsContact O-N 3.11Å; Q397-K399 VanDerWaalsContact OE1-CE 3.32Å | ||
| 398 | F | 83.1 | Confident | 71.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | trans | 50.5 | 34.5 | -176.2 | -59.7 | -86.9 | 0 | 0 | 0 | 113 | T325 V341 I344 L367 T368 F396 | T325-F398 HydrophobicContact CG2-CD2 4.01Å; T325-F398 HydrophobicContact CG2-CE2 3.8Å; T325-F398 HydrophobicContact CG2-CZ 4.24Å; V341-F398 HydrophobicContact CG2-CE2 3.74Å; V341-F398 HydrophobicContact CG2-CZ 3.95Å; I344-F398 HydrophobicContact CD1-CE1 4.11Å; I344-F398 HydrophobicContact CD1-CZ 4.05Å; L367-F398 HydrophobicContact CB-CD1 3.63Å; L367-F398 HydrophobicContact CB-CE1 3.56Å; L367-F398 HydrophobicContact CB-CG 4.42Å; L367-F398 HydrophobicContact CB-CZ 4.32Å; L367-F398 HydrophobicContact CD1-CD1 4.45Å; L367-F398 HydrophobicContact CD1-CE1 3.55Å; L367-F398 HydrophobicContact CD1-CZ 3.69Å; L367-F398 HydrophobicContact CG-CE1 4.21Å; T368-F398 WeakPolarHBondContact CG2-O 3.14Å; F396-F398 VanDerWaalsContact C-N 3.29Å; F396-F398 AromaticContact CD1-CD1 3.83Å; F396-F398 HydrophobicContact CD1-CD1 3.83Å; F396-F398 HydrophobicContact CD1-CD2 4.18Å; F396-F398 AromaticContact CD1-CE1 3.62Å; F396-F398 HydrophobicContact CD1-CE1 3.62Å; F396-F398 AromaticContact CD1-CE2 3.98Å; F396-F398 HydrophobicContact CD1-CE2 3.98Å; F396-F398 HydrophobicContact CD1-CG 4.12Å; F396-F398 AromaticContact CD1-CZ 3.7Å; F396-F398 HydrophobicContact CD1-CZ 3.7Å; F396-F398 AromaticContact CE1-CD1 3.41Å; F396-F398 HydrophobicContact CE1-CD1 3.41Å; F396-F398 VanDerWaalsContact CE1-CD1 3.41Å; F396-F398 AromaticContact CE1-CE1 3.36Å; F396-F398 HydrophobicContact CE1-CE1 3.36Å; F396-F398 HydrophobicContact CE1-CG 4.05Å; F396-F398 AromaticContact CE1-CZ 3.96Å; F396-F398 HydrophobicContact CE1-CZ 3.96Å; F396-F398 HydrophobicContact CZ-CD1 4.42Å; F396-F398 PolarHBondContact O-N 3.11Å | ||
| 399 | K | 83.2 | Confident | 73 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | trans | -75.3 | 135 | 175 | -69.4 | -175 | 152.9 | 171.4 | 0 | 109.1 | D375 Q397 G401 Q402 L403 | D375-K399 WeakPolarHBondContact OD2-CB 3.14Å; D375-K399 WeakPolarHBondContact OD2-CD 3.15Å; D375-K399 WeakPolarHBondContact OD2-CE 3.4Å; D375-K399 WeakPolarHBondContact OD2-CG 3.45Å; Q397-K399 HydrophobicContact CB-CD 4.08Å; Q397-K399 HydrophobicContact CB-CG 3.87Å; Q397-K399 PolarHBondContact O-N 3.23Å; Q397-K399 VanDerWaalsContact O-N 3.11Å; Q397-K399 VanDerWaalsContact OE1-CE 3.32Å; K399-G401 PolarHBondContact O-N 3.13Å; K399-G401 VanDerWaalsContact O-N 3.12Å; K399-Q402 HydrophobicContact CB-CB 4.17Å; K399-Q402 WeakPolarHBondContact O-CB 3.45Å; K399-Q402 PolarHBondContact O-N 3.5Å; K399-L403 PolarHBondContact O-N 3.05Å; K399-L403 VanDerWaalsContact O-N 3.07Å | ||
| 400 | P | 83.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.3 | -37.9 | -178.7 | -28.3 | 35.2 | 0 | 0 | 0 | 113.4 | T368 E373 L403 I404 F451 F455 Y458 | T368-P400 HydrophobicContact CG2-CB 4.49Å; T368-P400 HydrophobicContact CG2-CG 4.31Å; E373-P400 WeakPolarHBondContact O-CD 3.23Å; P400-L403 PolarHBondContact O-N 3.26Å; P400-I404 WeakPolarHBondContact O-CG1 3.49Å; P400-I404 PolarHBondContact O-N 2.89Å; P400-F451 HydrophobicContact CB-CE2 4.09Å; P400-F451 HydrophobicContact CB-CZ 4.01Å; P400-F455 HydrophobicContact CB-CD1 4.47Å; P400-F455 HydrophobicContact CB-CD2 4.29Å; P400-F455 HydrophobicContact CB-CG 4.25Å; P400-F455 HydrophobicContact CG-CD1 4Å; P400-F455 HydrophobicContact CG-CD2 4.21Å; P400-F455 HydrophobicContact CG-CE1 3.8Å; P400-F455 HydrophobicContact CG-CE2 4.02Å; P400-F455 HydrophobicContact CG-CG 4.19Å; P400-F455 HydrophobicContact CG-CZ 3.82Å; P400-Y458 HydrophobicContact CB-CD2 4.19Å; P400-Y458 HydrophobicContact CB-CE1 4.43Å; P400-Y458 HydrophobicContact CB-CE2 3.65Å |
| 401 | G | 82.4 | Confident | 76.1 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K399 I404 Q405 Y458 | K399-G401 PolarHBondContact O-N 3.13Å; K399-G401 VanDerWaalsContact O-N 3.12Å; G401-I404 PolarHBondContact O-N 3.45Å; G401-Q405 PolarHBondContact O-N 3.23Å; G401-Q405 VanDerWaalsContact O-N 3.14Å; G401-Y458 VanDerWaalsContact CA-CE1 3.47Å |
| 402 | Q | 84.1 | Confident | 77.1 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -42.2 | 175.9 | -171.5 | 174.3 | 26.9 | 0 | 0 | 110.9 | I387 E395 F396 K399 I404 Q405 L406 | I387-Q402 HydrophobicContact CD1-CG 3.7Å; E395-Q402 PolarHBondContact O-NE2 3.48Å; E395-Q402 VanDerWaalsContact O-NE2 3.09Å; F396-Q402 HydrophobicContact CD2-CG 4.08Å; F396-Q402 HydrophobicContact CE2-CG 3.89Å; K399-Q402 HydrophobicContact CB-CB 4.17Å; K399-Q402 WeakPolarHBondContact O-CB 3.45Å; K399-Q402 PolarHBondContact O-N 3.5Å; Q402-I404 VanDerWaalsContact C-N 3.33Å; Q402-I404 PolarHBondContact O-N 3.41Å; Q402-Q405 PolarHBondContact O-N 2.97Å; Q402-L406 PolarHBondContact O-N 3.28Å; Q402-L406 VanDerWaalsContact O-N 3.13Å |
| 403 | L | 86.4 | Confident | 77.1 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175 | -178 | 68.7 | 0 | 0 | 0 | 111.4 | A364 C365 T368 K399 P400 Q405 L406 L407 F451 | A364-L403 HydrophobicContact CB-CD1 4.06Å; C365-L403 HydrophobicContact CB-CD2 4.27Å; T368-L403 HydrophobicContact CG2-CB 4.16Å; T368-L403 HydrophobicContact CG2-CD2 3.86Å; K399-L403 PolarHBondContact O-N 3.05Å; K399-L403 VanDerWaalsContact O-N 3.07Å; P400-L403 PolarHBondContact O-N 3.26Å; L403-Q405 VanDerWaalsContact C-N 3.33Å; L403-Q405 PolarHBondContact O-N 3.44Å; L403-L406 WeakPolarHBondContact O-CB 3.5Å; L403-L406 PolarHBondContact O-N 2.96Å; L403-L407 HydrophobicContact CD1-CG 4.5Å; L403-L407 HydrophobicContact CD2-CD1 4.45Å; L403-L407 HydrophobicContact CG-CD1 4.1Å; L403-L407 HydrophobicContact CG-CG 4.29Å; L403-L407 WeakPolarHBondContact O-CG 3.33Å; L403-L407 PolarHBondContact O-N 2.86Å; L403-F451 HydrophobicContact CD2-CD2 3.78Å; L403-F451 HydrophobicContact CD2-CE2 3.63Å; L403-F451 HydrophobicContact CD2-CG 4.39Å; L403-F451 HydrophobicContact CD2-CZ 4.11Å |
| 404 | I | 84.9 | Confident | 76.9 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.7 | -76.6 | -75.1 | 0 | 0 | 0 | 111.8 | P400 G401 Q402 L406 L407 L408 F451 F452 Y458 Q461 M465 | P400-I404 WeakPolarHBondContact O-CG1 3.49Å; P400-I404 PolarHBondContact O-N 2.89Å; G401-I404 PolarHBondContact O-N 3.45Å; Q402-I404 VanDerWaalsContact C-N 3.33Å; Q402-I404 PolarHBondContact O-N 3.41Å; I404-L406 VanDerWaalsContact C-N 3.32Å; I404-L406 PolarHBondContact O-N 3.4Å; I404-L407 HydrophobicContact CD1-CD1 4.38Å; I404-L407 PolarHBondContact O-N 3.17Å; I404-L408 HydrophobicContact CG2-CD1 4.03Å; I404-L408 HydrophobicContact CG2-CG 4.38Å; I404-L408 WeakPolarHBondContact O-CB 3.31Å; I404-L408 VanDerWaalsContact O-CG 3.26Å; I404-L408 WeakPolarHBondContact O-CG 3.41Å; I404-L408 PolarHBondContact O-N 2.85Å; I404-F451 HydrophobicContact CD1-CE1 3.85Å; I404-F451 HydrophobicContact CD1-CZ 4.44Å; I404-F451 HydrophobicContact CG1-CE1 4Å; I404-F451 HydrophobicContact CG1-CZ 4.09Å; I404-F452 HydrophobicContact CD1-CE1 3.72Å; I404-F452 HydrophobicContact CD1-CZ 3.88Å; I404-Y458 HydrophobicContact CB-CD1 4.34Å; I404-Y458 HydrophobicContact CG1-CD1 3.74Å; I404-Y458 HydrophobicContact CG1-CG 4.15Å; I404-Q461 HydrophobicContact CG2-CB 3.91Å; I404-Q461 HydrophobicContact CG2-CG 3.92Å; I404-M465 HydrophobicContact CD1-CE 3.94Å |
| 405 | Q | 82.5 | Confident | 76 | Confident | 73 Ų | 73 | 41.3 Ų | 41.3 | 34% | 0.341 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -41.2 | 175.3 | -72.6 | 173.3 | -21.8 | 0 | 0 | 111.9 | G401 Q402 L403 L408 H409 | G401-Q405 PolarHBondContact O-N 3.23Å; G401-Q405 VanDerWaalsContact O-N 3.14Å; Q402-Q405 PolarHBondContact O-N 2.97Å; L403-Q405 VanDerWaalsContact C-N 3.33Å; L403-Q405 PolarHBondContact O-N 3.44Å; Q405-L408 PolarHBondContact O-N 3.19Å; Q405-H409 PolarHBondContact O-N 2.89Å |
| 406 | L | 83 | Confident | 74.5 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 172.9 | -71.4 | 179 | 0 | 0 | 0 | 112.7 | L348 I389 F396 Q402 L403 I404 L408 H409 H410 | L348-L406 HydrophobicContact CD1-CD1 3.69Å; L348-L406 HydrophobicContact CD1-CD2 4.32Å; I389-L406 HydrophobicContact CD1-CD2 3.53Å; I389-L406 HydrophobicContact CG1-CD2 3.81Å; F396-L406 HydrophobicContact CD2-CD1 4.26Å; F396-L406 HydrophobicContact CE2-CD1 3.19Å; F396-L406 HydrophobicContact CE2-CG 4.22Å; F396-L406 HydrophobicContact CZ-CD1 3.49Å; F396-L406 VanDerWaalsContact CZ-CD1 3.49Å; Q402-L406 PolarHBondContact O-N 3.28Å; Q402-L406 VanDerWaalsContact O-N 3.13Å; L403-L406 WeakPolarHBondContact O-CB 3.5Å; L403-L406 PolarHBondContact O-N 2.96Å; I404-L406 VanDerWaalsContact C-N 3.32Å; I404-L406 PolarHBondContact O-N 3.4Å; L406-L408 VanDerWaalsContact C-N 3.28Å; L406-L408 PolarHBondContact O-N 3.46Å; L406-H409 WeakPolarHBondContact O-CB 3.48Å; L406-H409 PolarHBondContact O-N 3.35Å; L406-H410 PolarHBondContact O-CD2 3.34Å; L406-H410 PolarHBondContact O-N 3.32Å |
| 407 | L | 86.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.5 | -68.4 | 173.2 | 0 | 0 | 0 | 110.6 | I361 L403 I404 H410 F411 L448 M465 | I361-L407 HydrophobicContact CG2-CD2 3.9Å; L403-L407 HydrophobicContact CD1-CG 4.5Å; L403-L407 HydrophobicContact CD2-CD1 4.45Å; L403-L407 HydrophobicContact CG-CD1 4.1Å; L403-L407 HydrophobicContact CG-CG 4.29Å; L403-L407 WeakPolarHBondContact O-CG 3.33Å; L403-L407 PolarHBondContact O-N 2.86Å; I404-L407 HydrophobicContact CD1-CD1 4.38Å; I404-L407 PolarHBondContact O-N 3.17Å; L407-H410 PolarHBondContact O-N 2.98Å; L407-F411 HydrophobicContact CB-CD2 4.27Å; L407-F411 HydrophobicContact CD2-CD2 3.99Å; L407-F411 HydrophobicContact CD2-CE2 3.64Å; L407-F411 VanDerWaalsContact O-CB 3.29Å; L407-F411 WeakPolarHBondContact O-CB 3.36Å; L407-F411 WeakPolarHBondContact O-CD2 3.43Å; L407-F411 PolarHBondContact O-N 3.39Å; L407-L448 HydrophobicContact CD1-CD2 3.77Å; L407-L448 HydrophobicContact CD2-CD2 4.19Å; L407-M465 HydrophobicContact CB-CE 3.44Å; L407-M465 VanDerWaalsContact CB-CE 3.44Å; L407-M465 HydrophobicContact CB-SD 4.33Å; L407-M465 HydrophobicContact CD1-CE 3.96Å; L407-M465 HydrophobicContact CG-CE 4.35Å |
| 408 | L | 83.7 | Confident | 70.7 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.2 | -69.3 | 173.6 | 0 | 0 | 0 | 111.4 | I404 Q405 L406 H410 S412 K464 M465 | I404-L408 HydrophobicContact CG2-CD1 4.03Å; I404-L408 HydrophobicContact CG2-CG 4.38Å; I404-L408 WeakPolarHBondContact O-CB 3.31Å; I404-L408 VanDerWaalsContact O-CG 3.26Å; I404-L408 WeakPolarHBondContact O-CG 3.41Å; I404-L408 PolarHBondContact O-N 2.85Å; Q405-L408 PolarHBondContact O-N 3.19Å; L406-L408 VanDerWaalsContact C-N 3.28Å; L406-L408 PolarHBondContact O-N 3.46Å; L408-H410 VanDerWaalsContact C-N 3.34Å; L408-H410 PolarHBondContact O-N 3.39Å; L408-S412 WeakPolarHBondContact O-CB 3.46Å; L408-S412 PolarHBondContact O-N 3.2Å; L408-S412 PolarHBondContact O-OG 3.07Å; L408-K464 HydrophobicContact CD1-CD 4.49Å; L408-K464 HydrophobicContact CD2-CB 3.44Å; L408-K464 VanDerWaalsContact CD2-CB 3.44Å; L408-K464 HydrophobicContact CD2-CD 4.48Å; L408-M465 HydrophobicContact CD2-CE 4.41Å; L408-M465 HydrophobicContact CD2-CG 3.8Å |
| 409 | H | 81.3 | Confident | 68.3 | Low | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 177.4 | -179.9 | 81.2 | 0 | 0 | 0 | 112.8 | Q405 L406 | Q405-H409 PolarHBondContact O-N 2.89Å; L406-H409 WeakPolarHBondContact O-CB 3.48Å; L406-H409 PolarHBondContact O-N 3.35Å |
| 410 | H | 82.3 | Confident | 65.8 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -87.3 | -26.7 | -175.8 | -68.9 | -64.7 | 0 | 0 | 0 | 115.5 | L348 I361 L406 L407 L408 W429 | L348-H410 PolarHBondContact O-CE1 3.39Å; I361-H410 HydrophobicContact CD1-CB 4.48Å; L406-H410 PolarHBondContact O-CD2 3.34Å; L406-H410 PolarHBondContact O-N 3.32Å; L407-H410 PolarHBondContact O-N 2.98Å; L408-H410 VanDerWaalsContact C-N 3.34Å; L408-H410 PolarHBondContact O-N 3.39Å; H410-W429 PolarHBondContact O-NE1 3.47Å |
| 411 | F | 81.6 | Confident | 63.4 | Low | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.022 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -100.3 | -21.7 | -178.4 | -72.6 | -78.5 | 0 | 0 | 0 | 113.8 | I361 L407 Y430 I444 M465 F467 | I361-F411 HydrophobicContact CD1-CE2 4.15Å; I361-F411 HydrophobicContact CD1-CZ 4.39Å; L407-F411 HydrophobicContact CB-CD2 4.27Å; L407-F411 HydrophobicContact CD2-CD2 3.99Å; L407-F411 HydrophobicContact CD2-CE2 3.64Å; L407-F411 VanDerWaalsContact O-CB 3.29Å; L407-F411 WeakPolarHBondContact O-CB 3.36Å; L407-F411 WeakPolarHBondContact O-CD2 3.43Å; L407-F411 PolarHBondContact O-N 3.39Å; F411-Y430 AromaticContact CD1-CD1 3.54Å; F411-Y430 HydrophobicContact CD1-CD1 3.54Å; F411-Y430 AromaticContact CD1-CE1 3.56Å; F411-Y430 HydrophobicContact CD1-CE1 3.56Å; F411-Y430 HydrophobicContact CD1-CG 4.21Å; F411-Y430 AromaticContact CE1-CD1 3.63Å; F411-Y430 HydrophobicContact CE1-CD1 3.63Å; F411-Y430 HydrophobicContact CE1-CD2 4.45Å; F411-Y430 HydrophobicContact CE1-CE1 4.07Å; F411-Y430 AromaticContact CE1-CG 3.86Å; F411-Y430 HydrophobicContact CE1-CG 3.86Å; F411-I444 HydrophobicContact CZ-CG2 4.48Å; F411-M465 HydrophobicContact CB-CB 4.09Å; F411-M465 HydrophobicContact CB-CG 4.36Å; F411-F467 AromaticContact CD1-CE1 3.9Å; F411-F467 HydrophobicContact CD1-CE1 3.9Å; F411-F467 HydrophobicContact CD1-CZ 4.21Å; F411-F467 HydrophobicContact CE1-CE1 4.24Å; F411-F467 HydrophobicContact CG-CE1 4.47Å; F411-F467 HydrophobicContact CG-CZ 4.38Å |
| 412 | S | 72 | Confident | 61.3 | Low | 44 Ų | 44 | 73.6 Ų | 73.6 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -71.5 | 150.9 | 177.3 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | L408 | L408-S412 WeakPolarHBondContact O-CB 3.46Å; L408-S412 PolarHBondContact O-N 3.2Å; L408-S412 PolarHBondContact O-OG 3.07Å |
| 413 | T | 55.2 | Low | 59.4 | Low | 19 Ų | 19 | 77.2 Ų | 77.2 | 12% | 0.117 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 120.7 | 173.8 | 38.5 | 0 | 0 | 0 | 0 | 109.1 | N415 P427 N466 E469 | T413-N415 PolarHBondContact O-N 3.39Å; T413-N415 VanDerWaalsContact O-N 3.16Å; T413-P427 HydrophobicContact CG2-CB 3.6Å; T413-N466 PolarHBondContact OG1-ND2 3.06Å; T413-E469 WeakPolarHBondContact CG2-OE2 3.44Å; T413-E469 PolarHBondContact OG1-OE2 2.95Å |
| 414 | P | 48.8 | Very low | 57.7 | Low | 93 Ų | 93 | 85 Ų | 85 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -66 | 118.5 | 172.4 | 23.8 | -29.2 | 0 | 0 | 0 | 108.6 | N416 | P414-N416 PolarHBondContact O-N 2.96Š|
| 415 | N | 38.8 | Very low | 56.4 | Low | 132 Ų | 132 | 87.2 Ų | 87.2 | 71% | 0.706 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 118.2 | 172 | -75.3 | -29.1 | 0 | 0 | 0 | 108.5 | T413 E417 | T413-N415 PolarHBondContact O-N 3.39Å; T413-N415 VanDerWaalsContact O-N 3.16Å; N415-E417 PolarHBondContact O-N 3.17Å |
| 416 | N | 33.4 | Very low | 55.6 | Low | 164 Ų | 164 | 92 Ų | 92 | 88% | 0.877 | 50% | 0.504 | S | S | * | . | trans | 18.7 | 87 | 159.4 | -61.1 | -21.4 | 0 | 0 | 0 | 116.1 | P414 | P414-N416 PolarHBondContact O-N 2.96Š| ||
| 417 | E | 34.9 | Very low | 54.9 | Low | 169 Ų | 169 | 95.4 Ų | 95.4 | 79% | 0.79 | 53% | 0.527 | S | S | * | . | trans | -121.4 | 110.2 | 157.9 | -73.7 | -166.5 | 164.3 | 0 | 0 | 109.5 | N415 G419 | N415-E417 PolarHBondContact O-N 3.17Å; E417-G419 PolarHBondContact O-N 2.92Å | ||
| 418 | E | 33.8 | Very low | 54.4 | Low | 216 Ų | 216 | 96 Ų | 96 | 100% | 1.009 | 53% | 0.53 | S | S | * | . | trans | -66.1 | 79.8 | 162.1 | -67.6 | -179.4 | 161.8 | 0 | 0 | 108.1 | ||||
| 419 | G | 32.4 | Very low | 54.3 | Low | 60 Ų | 60 | 95.2 Ų | 95.2 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | trans | -139.6 | 109.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | E417 | E417-G419 PolarHBondContact O-N 2.92Š| ||
| 420 | G | 31.8 | Very low | 54.2 | Low | 74 Ų | 74 | 90.1 Ų | 90.1 | 76% | 0.763 | 50% | 0.501 | S | S | * | . | trans | -58.4 | 153.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 421 | D | 32.6 | Very low | 54.1 | Low | 154 Ų | 154 | 89.8 Ų | 89.8 | 82% | 0.824 | 50% | 0.5 | S | S | * | . | trans | 83.4 | 131.5 | 169.5 | -65 | -32.5 | 0 | 0 | 0 | 119.1 | ||||
| 422 | I | 37.7 | Very low | 53.9 | Low | 138 Ų | 138 | 94.6 Ų | 94.6 | 71% | 0.708 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 85.3 | 83.8 | 167.2 | -44.8 | 167.5 | 0 | 0 | 0 | 116 | K424 | I422-K424 VanDerWaalsContact C-N 3.33Å; I422-K424 PolarHBondContact O-N 3.02Å |
| 423 | S | 43.8 | Very low | 54.2 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 69% | 0.685 | 52% | 0.518 | S | S | * | . | trans | 41.5 | 33.4 | 141.2 | 67.4 | 0 | 0 | 0 | 0 | 120.4 | Q425 | S423-Q425 PolarHBondContact O-N 2.85Š| ||
| 424 | K | 52.2 | Low | 55.3 | Low | 166 Ų | 166 | 99.9 Ų | 99.9 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 129.2 | 174.7 | -70.1 | -178.5 | -179.7 | 177.1 | 0 | 110.7 | I422 | I422-K424 VanDerWaalsContact C-N 3.33Å; I422-K424 PolarHBondContact O-N 3.02Å |
| 425 | Q | 57.1 | Low | 56.9 | Low | 52 Ų | 52 | 100 Ų | 100 | 24% | 0.243 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 145.4 | -178.7 | -112.6 | 170.6 | 0.2 | 0 | 0 | 111.5 | A351 S423 | A351-Q425 PolarHBondContact O-NE2 3.07Å; S423-Q425 PolarHBondContact O-N 2.85Å |
| 426 | K | 64.4 | Low | 59.1 | Low | 174 Ų | 174 | 94.8 Ų | 94.8 | 76% | 0.757 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 142.2 | 177.1 | -70 | 179.3 | -179.2 | 175.1 | 0 | 110.1 | L428 W429 | K426-L428 PolarHBondContact O-N 2.93Å; K426-W429 WeakPolarHBondContact O-CB 3.5Å; K426-W429 PolarHBondContact O-N 2.97Å |
| 427 | P | 69.6 | Low | 61.7 | Low | 84 Ų | 84 | 89.9 Ų | 89.9 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 139.6 | 175 | 25.3 | -34.8 | 0 | 0 | 0 | 110.3 | T413 W429 | T413-P427 HydrophobicContact CG2-CB 3.6Å; P427-W429 VanDerWaalsContact C-N 3.28Å; P427-W429 PolarHBondContact O-N 3Å |
| 428 | L | 75.4 | Confident | 64.1 | Low | 15 Ų | 15 | 84.6 Ų | 84.6 | 8% | 0.079 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 33.2 | -179.1 | -52 | 166.2 | 0 | 0 | 0 | 114 | K426 Y430 L431 Y432 E469 | K426-L428 PolarHBondContact O-N 2.93Å; L428-Y430 HydrophobicContact CB-CE1 4.48Å; L428-Y430 HydrophobicContact CD2-CE1 4.06Å; L428-Y430 WeakPolarHBondContact CD2-OH 3.46Å; L428-Y430 PolarHBondContact O-N 2.93Å; L428-Y430 VanDerWaalsContact O-N 3.08Å; L428-L431 HydrophobicContact CB-CD1 4.25Å; L428-L431 HydrophobicContact CD2-CD1 4.47Å; L428-L431 PolarHBondContact O-N 2.95Å; L428-Y432 HydrophobicContact CB-CD2 4.16Å; L428-Y432 HydrophobicContact CB-CE2 3.97Å; L428-Y432 HydrophobicContact CD1-CE2 4.19Å; L428-E469 HydrophobicContact CD1-CB 4.22Å; L428-E469 HydrophobicContact CD2-CB 4.36Å |
| 429 | W | 80.8 | Confident | 66.7 | Low | 13 Ų | 13 | 79.6 Ų | 79.6 | 5% | 0.049 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -47.6 | -39 | -179.9 | 62.9 | -90.8 | 0 | 0 | 0 | 113.1 | A354 L357 V358 I361 H410 K426 P427 L431 Y432 D433 I436 | A354-W429 HydrophobicContact CB-CE3 3.82Å; A354-W429 HydrophobicContact CB-CZ3 3.96Å; L357-W429 HydrophobicContact CB-CH2 4.44Å; L357-W429 HydrophobicContact CD2-CH2 3.68Å; L357-W429 HydrophobicContact CD2-CZ2 3.46Å; L357-W429 VanDerWaalsContact CD2-CZ2 3.46Å; L357-W429 HydrophobicContact CD2-CZ3 4.28Å; L357-W429 HydrophobicContact CG-CH2 3.92Å; L357-W429 HydrophobicContact CG-CZ2 4.06Å; V358-W429 HydrophobicContact CG2-CH2 3.75Å; V358-W429 HydrophobicContact CG2-CZ3 3.65Å; I361-W429 HydrophobicContact CD1-CH2 4.38Å; I361-W429 HydrophobicContact CD1-CZ2 4.22Å; H410-W429 PolarHBondContact O-NE1 3.47Å; K426-W429 WeakPolarHBondContact O-CB 3.5Å; K426-W429 PolarHBondContact O-N 2.97Å; P427-W429 VanDerWaalsContact C-N 3.28Å; P427-W429 PolarHBondContact O-N 3Å; W429-L431 PolarHBondContact O-N 2.84Å; W429-L431 VanDerWaalsContact O-N 3.08Å; W429-Y432 PolarHBondContact O-N 2.89Å; W429-D433 VanDerWaalsContact O-CB 3.26Å; W429-D433 WeakPolarHBondContact O-CB 3.24Å; W429-D433 PolarHBondContact O-N 3.38Å; W429-I436 HydrophobicContact CE3-CD1 3.69Å; W429-I436 HydrophobicContact CZ3-CD1 3.57Å; W429-I436 HydrophobicContact CZ3-CG1 4.49Å |
| 430 | Y | 80.9 | Confident | 69.4 | Low | 5 Ų | 5 | 78 Ų | 78 | 2% | 0.02 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -13.2 | 179.7 | 61.7 | -90.2 | 0 | 0 | 0 | 114.9 | F411 L428 F467 | F411-Y430 AromaticContact CD1-CD1 3.54Å; F411-Y430 HydrophobicContact CD1-CD1 3.54Å; F411-Y430 AromaticContact CD1-CE1 3.56Å; F411-Y430 HydrophobicContact CD1-CE1 3.56Å; F411-Y430 HydrophobicContact CD1-CG 4.21Å; F411-Y430 AromaticContact CE1-CD1 3.63Å; F411-Y430 HydrophobicContact CE1-CD1 3.63Å; F411-Y430 HydrophobicContact CE1-CD2 4.45Å; F411-Y430 HydrophobicContact CE1-CE1 4.07Å; F411-Y430 AromaticContact CE1-CG 3.86Å; F411-Y430 HydrophobicContact CE1-CG 3.86Å; L428-Y430 HydrophobicContact CB-CE1 4.48Å; L428-Y430 HydrophobicContact CD2-CE1 4.06Å; L428-Y430 WeakPolarHBondContact CD2-OH 3.46Å; L428-Y430 PolarHBondContact O-N 2.93Å; L428-Y430 VanDerWaalsContact O-N 3.08Å; Y430-F467 HydrophobicContact CE2-CD1 4.18Å; Y430-F467 HydrophobicContact CE2-CE1 4.26Å; Y430-F467 AromaticContact CZ-CD1 3.95Å; Y430-F467 WeakPolarHBondContact OH-CD1 3.18Å |
| 431 | L | 79.6 | Confident | 72.2 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -97.4 | -32 | 176 | -65.2 | 179.3 | 0 | 0 | 0 | 113.8 | L428 W429 S478 L482 | L428-L431 HydrophobicContact CB-CD1 4.25Å; L428-L431 HydrophobicContact CD2-CD1 4.47Å; L428-L431 PolarHBondContact O-N 2.95Å; W429-L431 PolarHBondContact O-N 2.84Å; W429-L431 VanDerWaalsContact O-N 3.08Å; L431-S478 WeakPolarHBondContact O-CB 3.45Å; L431-S478 PolarHBondContact O-OG 3.39Å; L431-L482 HydrophobicContact CD1-CD2 4.09Å; L431-L482 HydrophobicContact CD2-CB 4.23Å; L431-L482 HydrophobicContact CD2-CD2 4.14Å |
| 432 | Y | 76.3 | Confident | 74.9 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -118 | -11.2 | -164.5 | -58.2 | -60.5 | 0 | 0 | 0 | 113.9 | L428 W429 S434 K472 | L428-Y432 HydrophobicContact CB-CD2 4.16Å; L428-Y432 HydrophobicContact CB-CE2 3.97Å; L428-Y432 HydrophobicContact CD1-CE2 4.19Å; W429-Y432 PolarHBondContact O-N 2.89Å; Y432-S434 PolarHBondContact O-N 2.89Å; Y432-K472 PolarHBondContact OH-NZ 3.37Å; Y432-K472 VanDerWaalsContact OH-NZ 3.17Å |
| 433 | D | 79.7 | Confident | 77.5 | Confident | 55 Ų | 55 | 66 Ų | 66 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | trans | -75.5 | 117.2 | 175.6 | -160 | -43.7 | 0 | 0 | 0 | 110.6 | A354 W429 Q435 I436 | A354-D433 HydrophobicContact CB-CB 4.02Å; A354-D433 WeakPolarHBondContact CB-OD2 3.23Å; W429-D433 VanDerWaalsContact O-CB 3.26Å; W429-D433 WeakPolarHBondContact O-CB 3.24Å; W429-D433 PolarHBondContact O-N 3.38Å; D433-Q435 PolarHBondContact O-N 3.31Å; D433-Q435 VanDerWaalsContact OD1-CB 3.25Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.44Å; D433-Q435 WeakPolarHBondContact OD1-CG 3.26Å; D433-Q435 PolarHBondContact OD1-N 3.4Å; D433-I436 HydrophobicContact CB-CD1 3.97Å; D433-I436 HydrophobicContact CB-CG1 4.2Å; D433-I436 PolarHBondContact O-N 3.25Å | ||
| 434 | S | 78.6 | Confident | 79.7 | Confident | 119 Ų | 119 | 61.6 Ų | 61.6 | 83% | 0.832 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.9 | -179.5 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | Y432 I436 | Y432-S434 PolarHBondContact O-N 2.89Å; S434-I436 VanDerWaalsContact C-N 3.26Å; S434-I436 PolarHBondContact O-N 3.09Å |
| 435 | Q | 81.7 | Confident | 81.6 | Confident | 97 Ų | 97 | 54 Ų | 54 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -12.7 | 178.1 | -59.4 | -177.7 | 2 | 0 | 0 | 113.1 | Y355 D433 P437 | Y355-Q435 HydrophobicContact CD1-CB 4.01Å; D433-Q435 PolarHBondContact O-N 3.31Å; D433-Q435 VanDerWaalsContact OD1-CB 3.25Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.44Å; D433-Q435 WeakPolarHBondContact OD1-CG 3.26Å; D433-Q435 PolarHBondContact OD1-N 3.4Å; Q435-P437 VanDerWaalsContact O-CD 3.3Å; Q435-P437 WeakPolarHBondContact O-CD 3.44Å |
| 436 | I | 85.3 | Confident | 83.2 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -88.8 | 116 | -176.5 | -55.7 | 170.8 | 0 | 0 | 0 | 109.9 | A354 V358 W429 D433 S434 L441 | A354-I436 HydrophobicContact CB-CD1 4.07Å; A354-I436 HydrophobicContact CB-CG1 3.89Å; V358-I436 HydrophobicContact CG2-CD1 4.2Å; V358-I436 HydrophobicContact CG2-CG1 4.21Å; V358-I436 HydrophobicContact CG2-CG2 4.11Å; W429-I436 HydrophobicContact CE3-CD1 3.69Å; W429-I436 HydrophobicContact CZ3-CD1 3.57Å; W429-I436 HydrophobicContact CZ3-CG1 4.49Å; D433-I436 HydrophobicContact CB-CD1 3.97Å; D433-I436 HydrophobicContact CB-CG1 4.2Å; D433-I436 PolarHBondContact O-N 3.25Å; S434-I436 VanDerWaalsContact C-N 3.26Å; S434-I436 PolarHBondContact O-N 3.09Å; I436-L441 HydrophobicContact CG2-CB 4.24Å |
| 437 | P | 86.5 | Confident | 84.6 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 40% | 0.403 | 27% | 0.266 | S | S | . | . | trans | -63.6 | 141.8 | 172.6 | -21.2 | 35 | 0 | 0 | 0 | 111.5 | Q435 D439 D440 L441 | Q435-P437 VanDerWaalsContact O-CD 3.3Å; Q435-P437 WeakPolarHBondContact O-CD 3.44Å; P437-D439 PolarHBondContact O-N 3.11Å; P437-D440 HydrophobicContact CB-CB 4.33Å; P437-D440 WeakPolarHBondContact CD-OD2 3.46Å; P437-D440 WeakPolarHBondContact CG-OD2 3.36Å; P437-D440 PolarHBondContact O-N 3.49Å; P437-D440 VanDerWaalsContact O-N 3.1Å; P437-L441 PolarHBondContact O-N 3.32Å; P437-L441 VanDerWaalsContact O-N 3.14Å | ||
| 438 | V | 86.3 | Confident | 85.6 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.4 | -36.4 | 180 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | L441 K442 I477 L481 | V438-L441 PolarHBondContact O-N 3.44Å; V438-K442 WeakPolarHBondContact O-CG 3.38Å; V438-K442 PolarHBondContact O-N 2.67Å; V438-I477 HydrophobicContact CG1-CG2 3.65Å; V438-I477 HydrophobicContact CG2-CG2 4.09Å; V438-L481 HydrophobicContact CG1-CD1 3.78Å |
| 439 | D | 87.6 | Confident | 86.2 | Confident | 110 Ų | 110 | 44.7 Ų | 44.7 | 59% | 0.588 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -73.8 | -30.4 | -179.4 | -67.6 | -32.7 | 0 | 0 | 0 | 112.7 | P437 K442 C443 | P437-D439 PolarHBondContact O-N 3.11Å; D439-K442 PolarHBondContact O-N 2.64Å; D439-K442 IonicContact OD1-NZ 2.74Å; D439-K442 PolarHBondContact OD1-NZ 3.17Å; D439-C443 WeakPolarHBondContact O-CB 3.05Å; D439-C443 PolarHBondContact O-N 3.11Å |
| 440 | D | 90.4 | Very high | 86.6 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 172.9 | -70.9 | -16.2 | 0 | 0 | 0 | 111.2 | V358 H359 Q362 P437 C443 I444 | V358-D440 HydrophobicContact CG1-CB 3.73Å; H359-D440 IonicContact CD2-OD2 3.8Å; H359-D440 IonicContact CE1-OD2 2.99Å; H359-D440 IonicContact NE2-OD1 3.26Å; H359-D440 IonicContact NE2-OD2 3.05Å; H359-D440 PolarHBondContact NE2-OD2 3.04Å; Q362-D440 PolarHBondContact NE2-O 3.32Å; P437-D440 HydrophobicContact CB-CB 4.33Å; P437-D440 WeakPolarHBondContact CD-OD2 3.46Å; P437-D440 WeakPolarHBondContact CG-OD2 3.36Å; P437-D440 PolarHBondContact O-N 3.49Å; P437-D440 VanDerWaalsContact O-N 3.1Å; D440-C443 WeakPolarHBondContact O-CB 3.37Å; D440-C443 PolarHBondContact O-N 3.39Å; D440-I444 PolarHBondContact O-N 2.94Å |
| 441 | L | 89.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 174.2 | -174.7 | 63.2 | 0 | 0 | 0 | 111.7 | I436 P437 V438 C443 I444 Y445 L481 | I436-L441 HydrophobicContact CG2-CB 4.24Å; P437-L441 PolarHBondContact O-N 3.32Å; P437-L441 VanDerWaalsContact O-N 3.14Å; V438-L441 PolarHBondContact O-N 3.44Å; L441-C443 VanDerWaalsContact C-N 3.3Å; L441-C443 PolarHBondContact O-N 3.41Å; L441-I444 PolarHBondContact O-N 2.96Å; L441-Y445 HydrophobicContact CD1-CD2 4.43Å; L441-Y445 HydrophobicContact CD1-CE1 4.45Å; L441-Y445 HydrophobicContact CD1-CE2 3.75Å; L441-Y445 HydrophobicContact CD2-CE2 4Å; L441-Y445 HydrophobicContact CG-CD2 4.12Å; L441-Y445 HydrophobicContact CG-CE2 3.56Å; L441-Y445 WeakPolarHBondContact O-CD2 3.5Å; L441-Y445 PolarHBondContact O-N 3.05Å; L441-Y445 VanDerWaalsContact O-N 3.09Å; L441-L481 HydrophobicContact CD2-CD1 4.12Å; L441-L481 HydrophobicContact CG-CD1 4.41Å |
| 442 | K | 90.1 | Very high | 87.5 | Confident | 80 Ų | 80 | 48 Ų | 48 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 171.8 | -73.4 | 175 | -164 | 149.7 | 0 | 111.5 | V438 D439 Y445 N446 L481 | V438-K442 WeakPolarHBondContact O-CG 3.38Å; V438-K442 PolarHBondContact O-N 2.67Å; D439-K442 PolarHBondContact O-N 2.64Å; D439-K442 IonicContact OD1-NZ 2.74Å; D439-K442 PolarHBondContact OD1-NZ 3.17Å; K442-Y445 PolarHBondContact O-N 3.03Å; K442-N446 WeakPolarHBondContact O-CB 3.37Å; K442-N446 VanDerWaalsContact O-CG 3.27Å; K442-N446 PolarHBondContact O-N 3.26Å; K442-N446 PolarHBondContact O-ND2 3.19Å; K442-L481 HydrophobicContact CD-CD2 4.26Å; K442-L481 HydrophobicContact CG-CD1 3.67Å; K442-L481 HydrophobicContact CG-CD2 3.6Å; K442-L481 HydrophobicContact CG-CG 4.29Å |
| 443 | C | 91.2 | Very high | 87.9 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | Y312 D439 D440 L441 Y445 N446 L447 | Y312-C443 PolarHBondContact OH-SG 2.77Å; Y312-C443 VanDerWaalsContact OH-SG 3.33Å; D439-C443 WeakPolarHBondContact O-CB 3.05Å; D439-C443 PolarHBondContact O-N 3.11Å; D440-C443 WeakPolarHBondContact O-CB 3.37Å; D440-C443 PolarHBondContact O-N 3.39Å; L441-C443 VanDerWaalsContact C-N 3.3Å; L441-C443 PolarHBondContact O-N 3.41Å; C443-Y445 PolarHBondContact O-N 2.86Å; C443-N446 PolarHBondContact O-N 3.1Å; C443-L447 WeakPolarHBondContact O-CB 3.34Å; C443-L447 WeakPolarHBondContact O-CG 3.34Å; C443-L447 PolarHBondContact O-N 3.35Å |
| 444 | I | 91.4 | Very high | 88.1 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.8 | -52.6 | 173.3 | -73.6 | 175.4 | 0 | 0 | 0 | 110.8 | V358 Q362 F411 D440 L441 N446 L447 L448 | V358-I444 HydrophobicContact CB-CD1 3.9Å; V358-I444 HydrophobicContact CG1-CD1 3.54Å; V358-I444 HydrophobicContact CG1-CG1 4.25Å; V358-I444 HydrophobicContact CG2-CD1 3.7Å; Q362-I444 HydrophobicContact CG-CD1 4.39Å; Q362-I444 HydrophobicContact CG-CG1 3.49Å; Q362-I444 VanDerWaalsContact CG-CG1 3.49Å; F411-I444 HydrophobicContact CZ-CG2 4.48Å; D440-I444 PolarHBondContact O-N 2.94Å; L441-I444 PolarHBondContact O-N 2.96Å; I444-N446 VanDerWaalsContact C-N 3.31Å; I444-N446 PolarHBondContact O-N 3.49Å; I444-L447 PolarHBondContact O-N 3.03Å; I444-L448 HydrophobicContact CG2-CD1 3.82Å; I444-L448 HydrophobicContact CG2-CG 4.21Å; I444-L448 WeakPolarHBondContact O-CG 3.32Å; I444-L448 PolarHBondContact O-N 3.49Å |
| 445 | Y | 91.8 | Very high | 88.4 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | -177.1 | -69.9 | -38.8 | 0 | 0 | 0 | 113 | L441 K442 C443 L448 V449 L481 L482 F485 | L441-Y445 HydrophobicContact CD1-CD2 4.43Å; L441-Y445 HydrophobicContact CD1-CE1 4.45Å; L441-Y445 HydrophobicContact CD1-CE2 3.75Å; L441-Y445 HydrophobicContact CD2-CE2 4Å; L441-Y445 HydrophobicContact CG-CD2 4.12Å; L441-Y445 HydrophobicContact CG-CE2 3.56Å; L441-Y445 WeakPolarHBondContact O-CD2 3.5Å; L441-Y445 PolarHBondContact O-N 3.05Å; L441-Y445 VanDerWaalsContact O-N 3.09Å; K442-Y445 PolarHBondContact O-N 3.03Å; C443-Y445 PolarHBondContact O-N 2.86Å; Y445-L448 HydrophobicContact CD1-CD1 4.47Å; Y445-L448 PolarHBondContact O-N 2.88Å; Y445-V449 VanDerWaalsContact O-CG2 3.29Å; Y445-V449 WeakPolarHBondContact O-CG2 3.34Å; Y445-V449 PolarHBondContact O-N 3.38Å; Y445-L481 HydrophobicContact CD2-CB 4.11Å; Y445-L481 HydrophobicContact CE2-CB 3.84Å; Y445-L482 HydrophobicContact CE1-CD1 4.07Å; Y445-L482 HydrophobicContact CE2-CB 4.48Å; Y445-F485 HydrophobicContact CD1-CB 3.88Å; Y445-F485 AromaticContact CD1-CD1 3.91Å; Y445-F485 HydrophobicContact CD1-CD1 3.91Å; Y445-F485 AromaticContact CD1-CD2 3.84Å; Y445-F485 HydrophobicContact CD1-CD2 3.84Å; Y445-F485 HydrophobicContact CD1-CE1 4.41Å; Y445-F485 HydrophobicContact CD1-CE2 4.36Å; Y445-F485 AromaticContact CD1-CG 3.58Å; Y445-F485 HydrophobicContact CD1-CG 3.58Å; Y445-F485 HydrophobicContact CD2-CB 4.12Å; Y445-F485 HydrophobicContact CE1-CB 4.45Å; Y445-F485 HydrophobicContact CE1-CD1 4.16Å; Y445-F485 HydrophobicContact CE1-CG 4.23Å; Y445-F485 HydrophobicContact CG-CB 3.72Å; Y445-F485 HydrophobicContact CG-CD2 4.05Å; Y445-F485 AromaticContact CG-CG 3.88Å; Y445-F485 HydrophobicContact CG-CG 3.88Å |
| 446 | N | 91 | Very high | 88.4 | Confident | 110 Ų | 110 | 38.3 Ų | 38.3 | 59% | 0.588 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -65.4 | -44.6 | 175 | -72.2 | -24.6 | 0 | 0 | 0 | 111.7 | K442 C443 I444 L448 V449 E450 | K442-N446 WeakPolarHBondContact O-CB 3.37Å; K442-N446 VanDerWaalsContact O-CG 3.27Å; K442-N446 PolarHBondContact O-N 3.26Å; K442-N446 PolarHBondContact O-ND2 3.19Å; C443-N446 PolarHBondContact O-N 3.1Å; I444-N446 VanDerWaalsContact C-N 3.31Å; I444-N446 PolarHBondContact O-N 3.49Å; N446-L448 VanDerWaalsContact C-N 3.33Å; N446-L448 PolarHBondContact O-N 3.23Å; N446-V449 PolarHBondContact O-N 3.15Å; N446-E450 WeakPolarHBondContact O-CB 3.46Å; N446-E450 PolarHBondContact O-N 2.88Å |
| 447 | L | 92.9 | Very high | 88.1 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.2 | -71.8 | 167.9 | 0 | 0 | 0 | 111.6 | Y312 Q362 C365 K366 I369 C443 I444 E450 F451 | Y312-L447 HydrophobicContact CE2-CD1 3.83Å; Q362-L447 HydrophobicContact CB-CD1 3.82Å; Q362-L447 HydrophobicContact CG-CD1 4Å; C365-L447 HydrophobicContact CB-CB 4.41Å; K366-L447 HydrophobicContact CB-CD2 4.04Å; K366-L447 HydrophobicContact CD-CD2 4.37Å; K366-L447 HydrophobicContact CG-CD2 4.28Å; I369-L447 HydrophobicContact CD1-CD2 4.33Å; C443-L447 WeakPolarHBondContact O-CB 3.34Å; C443-L447 WeakPolarHBondContact O-CG 3.34Å; C443-L447 PolarHBondContact O-N 3.35Å; I444-L447 PolarHBondContact O-N 3.03Å; L447-E450 PolarHBondContact O-N 3.16Å; L447-F451 VanDerWaalsContact O-CB 3.27Å; L447-F451 WeakPolarHBondContact O-CB 3.27Å; L447-F451 PolarHBondContact O-N 3.23Å |
| 448 | L | 91.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.1 | -70.8 | 176.7 | 0 | 0 | 0 | 111.4 | L407 I444 Y445 N446 E450 F451 F452 F467 F485 | L407-L448 HydrophobicContact CD1-CD2 3.77Å; L407-L448 HydrophobicContact CD2-CD2 4.19Å; I444-L448 HydrophobicContact CG2-CD1 3.82Å; I444-L448 HydrophobicContact CG2-CG 4.21Å; I444-L448 WeakPolarHBondContact O-CG 3.32Å; I444-L448 PolarHBondContact O-N 3.49Å; Y445-L448 HydrophobicContact CD1-CD1 4.47Å; Y445-L448 PolarHBondContact O-N 2.88Å; N446-L448 VanDerWaalsContact C-N 3.33Å; N446-L448 PolarHBondContact O-N 3.23Å; L448-E450 VanDerWaalsContact C-N 3.28Å; L448-E450 PolarHBondContact O-N 2.97Å; L448-F451 PolarHBondContact O-N 3.38Å; L448-F452 HydrophobicContact CB-CD2 4.45Å; L448-F452 HydrophobicContact CB-CE2 4.43Å; L448-F452 HydrophobicContact CD2-CE2 4.35Å; L448-F452 WeakPolarHBondContact O-CD2 3.47Å; L448-F452 PolarHBondContact O-N 2.98Å; L448-F467 HydrophobicContact CD1-CZ 4.45Å; L448-F485 HydrophobicContact CB-CE2 3.78Å; L448-F485 HydrophobicContact CB-CZ 4.17Å; L448-F485 HydrophobicContact CD1-CE2 4.49Å; L448-F485 HydrophobicContact CD1-CZ 4.31Å |
| 449 | V | 88.4 | Confident | 87.6 | Confident | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 174.2 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | Y445 N446 S453 F485 T488 M489 K492 | Y445-V449 VanDerWaalsContact O-CG2 3.29Å; Y445-V449 WeakPolarHBondContact O-CG2 3.34Å; Y445-V449 PolarHBondContact O-N 3.38Å; N446-V449 PolarHBondContact O-N 3.15Å; V449-S453 VanDerWaalsContact O-CB 3.28Å; V449-S453 WeakPolarHBondContact O-CB 3.22Å; V449-S453 PolarHBondContact O-N 3.24Å; V449-S453 PolarHBondContact O-OG 3.48Å; V449-F485 HydrophobicContact CG2-CD2 3.68Å; V449-F485 HydrophobicContact CG2-CE2 3.81Å; V449-T488 HydrophobicContact CG1-CG2 3.87Å; V449-T488 HydrophobicContact CG2-CG2 3.99Å; V449-M489 HydrophobicContact CB-SD 4.3Å; V449-M489 HydrophobicContact CG2-CG 4.14Å; V449-M489 HydrophobicContact CG2-SD 3.8Å; V449-K492 HydrophobicContact CG1-CD 3.93Å |
| 450 | E | 88.9 | Confident | 87.1 | Confident | 98 Ų | 98 | 30.7 Ų | 30.7 | 46% | 0.458 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.8 | -51.9 | 177 | -170.5 | 176.2 | 175.1 | 0 | 0 | 111.1 | I369 N446 L447 L448 F452 S453 T454 | I369-E450 HydrophobicContact CD1-CB 4.06Å; I369-E450 HydrophobicContact CD1-CG 4Å; I369-E450 HydrophobicContact CG2-CG 4.34Å; N446-E450 WeakPolarHBondContact O-CB 3.46Å; N446-E450 PolarHBondContact O-N 2.88Å; L447-E450 PolarHBondContact O-N 3.16Å; L448-E450 VanDerWaalsContact C-N 3.28Å; L448-E450 PolarHBondContact O-N 2.97Å; E450-F452 PolarHBondContact O-N 2.92Å; E450-S453 CarbonylContact O-C 3.56Å; E450-S453 WeakPolarHBondContact O-CA 3.23Å; E450-S453 WeakPolarHBondContact O-CB 3.42Å; E450-S453 PolarHBondContact O-N 3.39Å; E450-T454 PolarHBondContact O-N 3.49Å; E450-T454 PolarHBondContact O-OG1 3Å |
| 451 | F | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.1 | -51.6 | 177.4 | 174.6 | -94.2 | 0 | 0 | 0 | 112.5 | T368 I369 P400 L403 I404 L447 L448 S453 T454 F455 | T368-F451 HydrophobicContact CG2-CD2 4.27Å; T368-F451 HydrophobicContact CG2-CE2 3.7Å; I369-F451 HydrophobicContact CD1-CB 4Å; I369-F451 HydrophobicContact CG1-CB 3.99Å; I369-F451 HydrophobicContact CG1-CD2 4.14Å; P400-F451 HydrophobicContact CB-CE2 4.09Å; P400-F451 HydrophobicContact CB-CZ 4.01Å; L403-F451 HydrophobicContact CD2-CD2 3.78Å; L403-F451 HydrophobicContact CD2-CE2 3.63Å; L403-F451 HydrophobicContact CD2-CG 4.39Å; L403-F451 HydrophobicContact CD2-CZ 4.11Å; I404-F451 HydrophobicContact CD1-CE1 3.85Å; I404-F451 HydrophobicContact CD1-CZ 4.44Å; I404-F451 HydrophobicContact CG1-CE1 4Å; I404-F451 HydrophobicContact CG1-CZ 4.09Å; L447-F451 VanDerWaalsContact O-CB 3.27Å; L447-F451 WeakPolarHBondContact O-CB 3.27Å; L447-F451 PolarHBondContact O-N 3.23Å; L448-F451 PolarHBondContact O-N 3.38Å; F451-S453 VanDerWaalsContact C-N 3.29Å; F451-S453 PolarHBondContact O-N 2.96Å; F451-T454 PolarHBondContact O-N 3.1Å; F451-F455 AromaticContact CD2-CD2 3.68Å; F451-F455 HydrophobicContact CD2-CD2 3.68Å; F451-F455 HydrophobicContact CD2-CE2 4.01Å; F451-F455 AromaticContact CE2-CD2 3.48Å; F451-F455 HydrophobicContact CE2-CD2 3.48Å; F451-F455 VanDerWaalsContact CE2-CD2 3.48Å; F451-F455 AromaticContact CE2-CE2 3.88Å; F451-F455 HydrophobicContact CE2-CE2 3.88Å; F451-F455 HydrophobicContact CE2-CG 4.47Å; F451-F455 HydrophobicContact CG-CD2 4.4Å; F451-F455 HydrophobicContact CZ-CD2 4.07Å; F451-F455 WeakPolarHBondContact O-CD2 3.49Å; F451-F455 PolarHBondContact O-N 2.75Å |
| 452 | F | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.1 | -23.4 | 179.5 | -71.4 | -66.1 | 0 | 0 | 0 | 113.1 | I404 L448 E450 F455 P456 Y458 A459 L462 M465 M489 L493 | I404-F452 HydrophobicContact CD1-CE1 3.72Å; I404-F452 HydrophobicContact CD1-CZ 3.88Å; L448-F452 HydrophobicContact CB-CD2 4.45Å; L448-F452 HydrophobicContact CB-CE2 4.43Å; L448-F452 HydrophobicContact CD2-CE2 4.35Å; L448-F452 WeakPolarHBondContact O-CD2 3.47Å; L448-F452 PolarHBondContact O-N 2.98Å; E450-F452 PolarHBondContact O-N 2.92Å; F452-F455 CarbonylContact O-C 3.56Å; F452-P456 VanDerWaalsContact O-CA 3.3Å; F452-P456 WeakPolarHBondContact O-CA 3.48Å; F452-Y458 WeakPolarHBondContact CE1-O 3.3Å; F452-A459 HydrophobicContact CD1-CB 4.06Å; F452-L462 HydrophobicContact CD2-CD1 4.12Å; F452-L462 HydrophobicContact CE2-CD1 3.78Å; F452-L462 HydrophobicContact CZ-CB 4.43Å; F452-L462 HydrophobicContact CZ-CD1 4.14Å; F452-M465 HydrophobicContact CZ-CE 4.1Å; F452-M489 HydrophobicContact CB-CE 3.55Å; F452-M489 HydrophobicContact CB-SD 4.33Å; F452-M489 HydrophobicContact CD2-CE 3.41Å; F452-M489 VanDerWaalsContact CD2-CE 3.41Å; F452-M489 HydrophobicContact CD2-SD 4.3Å; F452-M489 HydrophobicContact CE2-CE 4.27Å; F452-M489 HydrophobicContact CG-CE 3.61Å; F452-L493 HydrophobicContact CB-CD1 3.54Å |
| 453 | S | 83.8 | Confident | 85.2 | Confident | 46 Ų | 46 | 31.6 Ų | 31.6 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72.1 | -37.3 | 171 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | V449 E450 F451 | V449-S453 VanDerWaalsContact O-CB 3.28Å; V449-S453 WeakPolarHBondContact O-CB 3.22Å; V449-S453 PolarHBondContact O-N 3.24Å; V449-S453 PolarHBondContact O-OG 3.48Å; E450-S453 CarbonylContact O-C 3.56Å; E450-S453 WeakPolarHBondContact O-CA 3.23Å; E450-S453 WeakPolarHBondContact O-CB 3.42Å; E450-S453 PolarHBondContact O-N 3.39Å; F451-S453 VanDerWaalsContact C-N 3.29Å; F451-S453 PolarHBondContact O-N 2.96Å |
| 454 | T | 83.5 | Confident | 84.5 | Confident | 71 Ų | 71 | 35 Ų | 35 | 44% | 0.436 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.4 | -36.9 | 177.3 | -54.5 | 0 | 0 | 0 | 0 | 112 | E450 F451 P456 | E450-T454 PolarHBondContact O-N 3.49Å; E450-T454 PolarHBondContact O-OG1 3Å; F451-T454 PolarHBondContact O-N 3.1Å; T454-P456 WeakPolarHBondContact O-CD 3.38Å |
| 455 | F | 85.9 | Confident | 83.7 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | trans | -124.4 | 72.6 | 179.8 | -50.2 | -73.8 | 0 | 0 | 0 | 112.7 | G372 P400 F451 F452 S457 Y458 | G372-F455 WeakPolarHBondContact O-CZ 3.4Å; P400-F455 HydrophobicContact CB-CD1 4.47Å; P400-F455 HydrophobicContact CB-CD2 4.29Å; P400-F455 HydrophobicContact CB-CG 4.25Å; P400-F455 HydrophobicContact CG-CD1 4Å; P400-F455 HydrophobicContact CG-CD2 4.21Å; P400-F455 HydrophobicContact CG-CE1 3.8Å; P400-F455 HydrophobicContact CG-CE2 4.02Å; P400-F455 HydrophobicContact CG-CG 4.19Å; P400-F455 HydrophobicContact CG-CZ 3.82Å; F451-F455 AromaticContact CD2-CD2 3.68Å; F451-F455 HydrophobicContact CD2-CD2 3.68Å; F451-F455 HydrophobicContact CD2-CE2 4.01Å; F451-F455 AromaticContact CE2-CD2 3.48Å; F451-F455 HydrophobicContact CE2-CD2 3.48Å; F451-F455 VanDerWaalsContact CE2-CD2 3.48Å; F451-F455 AromaticContact CE2-CE2 3.88Å; F451-F455 HydrophobicContact CE2-CE2 3.88Å; F451-F455 HydrophobicContact CE2-CG 4.47Å; F451-F455 HydrophobicContact CG-CD2 4.4Å; F451-F455 HydrophobicContact CZ-CD2 4.07Å; F451-F455 WeakPolarHBondContact O-CD2 3.49Å; F451-F455 PolarHBondContact O-N 2.75Å; F452-F455 CarbonylContact O-C 3.56Å; F455-S457 VanDerWaalsContact C-N 3.3Å; F455-S457 PolarHBondContact O-N 2.95Å; F455-Y458 HydrophobicContact CB-CD2 3.75Å; F455-Y458 HydrophobicContact CB-CE2 4.32Å; F455-Y458 PolarHBondContact O-N 3.22Å | ||
| 456 | P | 81.2 | Confident | 83 | Confident | 38 Ų | 38 | 36.9 Ų | 36.9 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -64.2 | -25.4 | -170.8 | -22.9 | 33.6 | 0 | 0 | 0 | 115.9 | F452 T454 Y458 A459 L493 F496 | F452-P456 VanDerWaalsContact O-CA 3.3Å; F452-P456 WeakPolarHBondContact O-CA 3.48Å; T454-P456 WeakPolarHBondContact O-CD 3.38Å; P456-Y458 PolarHBondContact O-N 3.08Å; P456-A459 WeakPolarHBondContact O-CB 3.37Å; P456-A459 PolarHBondContact O-N 2.93Å; P456-L493 HydrophobicContact CB-CD2 4.14Å; P456-L493 HydrophobicContact CG-CD2 4.47Å; P456-F496 HydrophobicContact CB-CD1 4.45Å; P456-F496 HydrophobicContact CB-CD2 3.69Å; P456-F496 HydrophobicContact CB-CE1 4.12Å; P456-F496 HydrophobicContact CB-CE2 3.26Å; P456-F496 HydrophobicContact CB-CG 4.27Å; P456-F496 HydrophobicContact CB-CZ 3.52Å; P456-F496 HydrophobicContact CG-CE2 4.22Å; P456-F496 HydrophobicContact CG-CZ 4.5Å |
| 457 | S | 79.9 | Confident | 82.6 | Confident | 69 Ų | 69 | 31.9 Ų | 31.9 | 48% | 0.483 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -59 | -30.6 | 178.1 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | F455 A459 S460 | F455-S457 VanDerWaalsContact C-N 3.3Å; F455-S457 PolarHBondContact O-N 2.95Å; S457-A459 VanDerWaalsContact C-N 3.34Å; S457-S460 PolarHBondContact O-OG 3.47Å; S457-S460 VanDerWaalsContact O-OG 3.04Å |
| 458 | Y | 82.1 | Confident | 81.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -80.7 | -12.8 | 179.2 | -66.3 | -87.1 | 0 | 0 | 0 | 113.4 | D375 L377 P400 G401 I404 F452 F455 P456 S460 Q461 | D375-Y458 PolarHBondContact O-OH 3.39Å; L377-Y458 HydrophobicContact CB-CE1 4.46Å; L377-Y458 HydrophobicContact CD1-CD1 3.38Å; L377-Y458 HydrophobicContact CD1-CD2 4.4Å; L377-Y458 HydrophobicContact CD1-CE1 3.51Å; L377-Y458 HydrophobicContact CD1-CE2 4.49Å; L377-Y458 HydrophobicContact CD1-CG 3.89Å; L377-Y458 HydrophobicContact CG-CD1 3.84Å; L377-Y458 HydrophobicContact CG-CE1 3.51Å; P400-Y458 HydrophobicContact CB-CD2 4.19Å; P400-Y458 HydrophobicContact CB-CE1 4.43Å; P400-Y458 HydrophobicContact CB-CE2 3.65Å; G401-Y458 VanDerWaalsContact CA-CE1 3.47Å; I404-Y458 HydrophobicContact CB-CD1 4.34Å; I404-Y458 HydrophobicContact CG1-CD1 3.74Å; I404-Y458 HydrophobicContact CG1-CG 4.15Å; F452-Y458 WeakPolarHBondContact CE1-O 3.3Å; F455-Y458 HydrophobicContact CB-CD2 3.75Å; F455-Y458 HydrophobicContact CB-CE2 4.32Å; F455-Y458 PolarHBondContact O-N 3.22Å; P456-Y458 PolarHBondContact O-N 3.08Å; Y458-S460 PolarHBondContact O-N 3.17Å; Y458-S460 VanDerWaalsContact O-N 3.11Å; Y458-Q461 WeakPolarHBondContact O-CB 3.44Å; Y458-Q461 PolarHBondContact O-N 3.2Å |
| 459 | A | 79.2 | Confident | 81.1 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -60.1 | -24.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F452 P456 S457 Q461 L462 L493 F496 | F452-A459 HydrophobicContact CD1-CB 4.06Å; P456-A459 WeakPolarHBondContact O-CB 3.37Å; P456-A459 PolarHBondContact O-N 2.93Å; S457-A459 VanDerWaalsContact C-N 3.34Å; A459-Q461 PolarHBondContact O-N 2.84Å; A459-L462 VanDerWaalsContact O-CB 3.26Å; A459-L462 WeakPolarHBondContact O-CB 3.47Å; A459-L462 PolarHBondContact O-N 2.85Å; A459-L462 VanDerWaalsContact O-N 3.12Å; A459-L493 HydrophobicContact CB-CD1 4.31Å; A459-F496 HydrophobicContact CB-CB 3.85Å |
| 460 | S | 76.6 | Confident | 80.7 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -56.5 | -29.1 | 170.9 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | S457 Y458 L462 H463 | S457-S460 PolarHBondContact O-OG 3.47Å; S457-S460 VanDerWaalsContact O-OG 3.04Å; Y458-S460 PolarHBondContact O-N 3.17Å; Y458-S460 VanDerWaalsContact O-N 3.11Å; S460-L462 VanDerWaalsContact C-N 3.34Å; S460-H463 PolarHBondContact O-CE1 2.99Å; S460-H463 PolarHBondContact O-ND1 3.31Å |
| 461 | Q | 79.2 | Confident | 80.4 | Confident | 17 Ų | 17 | 31.2 Ų | 31.2 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -81.3 | -10.8 | -179.7 | -58.4 | -58.9 | -52.3 | 0 | 0 | 113.4 | I404 Y458 A459 H463 K464 | I404-Q461 HydrophobicContact CG2-CB 3.91Å; I404-Q461 HydrophobicContact CG2-CG 3.92Å; Y458-Q461 WeakPolarHBondContact O-CB 3.44Å; Y458-Q461 PolarHBondContact O-N 3.2Å; A459-Q461 PolarHBondContact O-N 2.84Å; Q461-H463 PolarHBondContact O-N 3.47Å; Q461-K464 WeakPolarHBondContact O-CB 3.24Å; Q461-K464 PolarHBondContact O-N 3.02Å; Q461-K464 VanDerWaalsContact OE1-CE 3.27Å |
| 462 | L | 78.7 | Confident | 79.9 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61 | -30.1 | -175.9 | -172.2 | 142.3 | 0 | 0 | 0 | 113 | F452 A459 S460 K464 M465 F467 F485 M489 L497 | F452-L462 HydrophobicContact CD2-CD1 4.12Å; F452-L462 HydrophobicContact CE2-CD1 3.78Å; F452-L462 HydrophobicContact CZ-CB 4.43Å; F452-L462 HydrophobicContact CZ-CD1 4.14Å; A459-L462 VanDerWaalsContact O-CB 3.26Å; A459-L462 WeakPolarHBondContact O-CB 3.47Å; A459-L462 PolarHBondContact O-N 2.85Å; A459-L462 VanDerWaalsContact O-N 3.12Å; S460-L462 VanDerWaalsContact C-N 3.34Å; L462-K464 PolarHBondContact O-N 3.26Å; L462-M465 PolarHBondContact O-N 2.84Å; L462-F467 HydrophobicContact CD2-CD2 4.14Å; L462-F467 HydrophobicContact CG-CD2 4.16Å; L462-F467 HydrophobicContact CG-CE2 4.22Å; L462-F485 HydrophobicContact CD1-CZ 4.15Å; L462-M489 HydrophobicContact CD1-CE 3.4Å; L462-M489 HydrophobicContact CD1-CG 4.47Å; L462-L497 HydrophobicContact CB-CD2 4.16Å; L462-L497 HydrophobicContact CD2-CD2 3.99Å; L462-L497 HydrophobicContact CG-CD2 4.47Å |
| 463 | H | 73.8 | Confident | 79.7 | Confident | 103 Ų | 103 | 35.2 Ų | 35.2 | 48% | 0.477 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -62.9 | -29.7 | 176.8 | 73 | -86.7 | 0 | 0 | 0 | 112.8 | S460 Q461 M465 N466 | S460-H463 PolarHBondContact O-CE1 2.99Å; S460-H463 PolarHBondContact O-ND1 3.31Å; Q461-H463 PolarHBondContact O-N 3.47Å; H463-M465 VanDerWaalsContact C-N 3.27Å; H463-M465 PolarHBondContact O-N 3.43Å; H463-N466 PolarHBondContact O-N 2.86Å |
| 464 | K | 75.2 | Confident | 79.4 | Confident | 100 Ų | 100 | 34.9 Ų | 34.9 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -75 | -14.7 | 179.3 | -60.4 | -175.5 | -179.2 | 173.2 | 0 | 113.3 | L408 Q461 L462 N466 | L408-K464 HydrophobicContact CD1-CD 4.49Å; L408-K464 HydrophobicContact CD2-CB 3.44Å; L408-K464 VanDerWaalsContact CD2-CB 3.44Å; L408-K464 HydrophobicContact CD2-CD 4.48Å; Q461-K464 WeakPolarHBondContact O-CB 3.24Å; Q461-K464 PolarHBondContact O-N 3.02Å; Q461-K464 VanDerWaalsContact OE1-CE 3.27Å; L462-K464 PolarHBondContact O-N 3.26Å; K464-N466 PolarHBondContact O-N 3.39Å |
| 465 | M | 75.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -79.2 | 2 | 176.4 | -62 | -179.9 | -175.5 | 0 | 0 | 113.1 | I404 L407 L408 F411 F452 L462 H463 F467 | I404-M465 HydrophobicContact CD1-CE 3.94Å; L407-M465 HydrophobicContact CB-CE 3.44Å; L407-M465 VanDerWaalsContact CB-CE 3.44Å; L407-M465 HydrophobicContact CB-SD 4.33Å; L407-M465 HydrophobicContact CD1-CE 3.96Å; L407-M465 HydrophobicContact CG-CE 4.35Å; L408-M465 HydrophobicContact CD2-CE 4.41Å; L408-M465 HydrophobicContact CD2-CG 3.8Å; F411-M465 HydrophobicContact CB-CB 4.09Å; F411-M465 HydrophobicContact CB-CG 4.36Å; F452-M465 HydrophobicContact CZ-CE 4.1Å; L462-M465 PolarHBondContact O-N 2.84Å; H463-M465 VanDerWaalsContact C-N 3.27Å; H463-M465 PolarHBondContact O-N 3.43Å; M465-F467 HydrophobicContact CB-CD2 3.84Å; M465-F467 HydrophobicContact CB-CE2 3.56Å; M465-F467 HydrophobicContact CB-CZ 4.06Å; M465-F467 HydrophobicContact CG-CE2 4.21Å; M465-F467 PolarHBondContact O-N 2.82Å; M465-F467 HydrophobicContact SD-CE2 3.64Å; M465-F467 HydrophobicContact SD-CZ 4.01Å |
| 466 | N | 76.7 | Confident | 79.1 | Confident | 50 Ų | 50 | 32 Ų | 32 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | trans | 51.9 | 25.1 | 173.8 | -70.6 | -14.9 | 0 | 0 | 0 | 116.5 | T413 H463 K464 L468 E469 | T413-N466 PolarHBondContact OG1-ND2 3.06Å; H463-N466 PolarHBondContact O-N 2.86Å; K464-N466 PolarHBondContact O-N 3.39Å; N466-L468 PolarHBondContact O-N 2.74Å; N466-E469 HydrophobicContact CB-CG 4.34Å; N466-E469 WeakPolarHBondContact O-CB 3.42Å; N466-E469 PolarHBondContact O-N 3.11Å | ||
| 467 | F | 81.9 | Confident | 79.4 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -52.1 | -27.9 | 175.6 | -71.1 | -57.3 | 0 | 0 | 0 | 113.4 | F411 Y430 L448 L462 M465 E469 G470 L482 F485 L486 | F411-F467 AromaticContact CD1-CE1 3.9Å; F411-F467 HydrophobicContact CD1-CE1 3.9Å; F411-F467 HydrophobicContact CD1-CZ 4.21Å; F411-F467 HydrophobicContact CE1-CE1 4.24Å; F411-F467 HydrophobicContact CG-CE1 4.47Å; F411-F467 HydrophobicContact CG-CZ 4.38Å; Y430-F467 HydrophobicContact CE2-CD1 4.18Å; Y430-F467 HydrophobicContact CE2-CE1 4.26Å; Y430-F467 AromaticContact CZ-CD1 3.95Å; Y430-F467 WeakPolarHBondContact OH-CD1 3.18Å; L448-F467 HydrophobicContact CD1-CZ 4.45Å; L462-F467 HydrophobicContact CD2-CD2 4.14Å; L462-F467 HydrophobicContact CG-CD2 4.16Å; L462-F467 HydrophobicContact CG-CE2 4.22Å; M465-F467 HydrophobicContact CB-CD2 3.84Å; M465-F467 HydrophobicContact CB-CE2 3.56Å; M465-F467 HydrophobicContact CB-CZ 4.06Å; M465-F467 HydrophobicContact CG-CE2 4.21Å; M465-F467 PolarHBondContact O-N 2.82Å; M465-F467 HydrophobicContact SD-CE2 3.64Å; M465-F467 HydrophobicContact SD-CZ 4.01Å; F467-E469 VanDerWaalsContact C-N 3.27Å; F467-E469 PolarHBondContact O-N 2.86Å; F467-G470 PolarHBondContact O-N 3.08Å; F467-G470 VanDerWaalsContact O-N 3.15Å; F467-L482 HydrophobicContact CB-CD1 4.14Å; F467-L482 HydrophobicContact CD1-CD1 3.63Å; F467-L482 HydrophobicContact CE1-CD1 4.39Å; F467-L482 HydrophobicContact CG-CD1 4.12Å; F467-F485 HydrophobicContact CD2-CE1 4.17Å; F467-F485 HydrophobicContact CE2-CE1 4.04Å; F467-F485 HydrophobicContact CE2-CZ 4.47Å; F467-F485 HydrophobicContact CZ-CE1 4.34Å; F467-L486 HydrophobicContact CB-CD2 4.19Å |
| 468 | L | 75.1 | Confident | 79.7 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -61.4 | -29.7 | 176.1 | -168.3 | 79.4 | 0 | 0 | 0 | 113.1 | N466 G470 I471 V513 L515 V520 K523 | N466-L468 PolarHBondContact O-N 2.74Å; L468-G470 VanDerWaalsContact C-N 3.26Å; L468-G470 PolarHBondContact O-N 3.16Å; L468-I471 HydrophobicContact CD1-CD1 3.82Å; L468-I471 PolarHBondContact O-N 3.17Å; L468-V513 HydrophobicContact CD2-CB 3.8Å; L468-V513 HydrophobicContact CD2-CG1 3.28Å; L468-L515 HydrophobicContact CD1-CD1 3.83Å; L468-L515 HydrophobicContact CD1-CG 4.39Å; L468-V520 HydrophobicContact CD1-CG2 3.8Å; L468-K523 PolarHBondContact O-NZ 2.67Å |
| 469 | E | 78.3 | Confident | 79.9 | Confident | 86 Ų | 86 | 30 Ų | 30 | 40% | 0.402 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -68.4 | -27.4 | 176.3 | -63 | -164.5 | 146.9 | 0 | 0 | 112.9 | T413 L428 N466 F467 I471 K523 | T413-E469 WeakPolarHBondContact CG2-OE2 3.44Å; T413-E469 PolarHBondContact OG1-OE2 2.95Å; L428-E469 HydrophobicContact CD1-CB 4.22Å; L428-E469 HydrophobicContact CD2-CB 4.36Å; N466-E469 HydrophobicContact CB-CG 4.34Å; N466-E469 WeakPolarHBondContact O-CB 3.42Å; N466-E469 PolarHBondContact O-N 3.11Å; F467-E469 VanDerWaalsContact C-N 3.27Å; F467-E469 PolarHBondContact O-N 2.86Å; E469-I471 VanDerWaalsContact C-N 3.29Å; E469-I471 PolarHBondContact O-N 3.04Å; E469-K523 VanDerWaalsContact CA-NZ 3.34Å |
| 470 | G | 79.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -73.6 | -14.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F467 L468 K472 | F467-G470 PolarHBondContact O-N 3.08Å; F467-G470 VanDerWaalsContact O-N 3.15Å; L468-G470 VanDerWaalsContact C-N 3.26Å; L468-G470 PolarHBondContact O-N 3.16Å; G470-K472 PolarHBondContact O-N 2.58Å |
| 471 | I | 82.9 | Confident | 81 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -78.2 | 107.6 | -175.3 | -53.1 | 176.4 | 0 | 0 | 0 | 110 | L468 E469 L486 V520 L524 T551 L554 | L468-I471 HydrophobicContact CD1-CD1 3.82Å; L468-I471 PolarHBondContact O-N 3.17Å; E469-I471 VanDerWaalsContact C-N 3.29Å; E469-I471 PolarHBondContact O-N 3.04Å; I471-L486 HydrophobicContact CD1-CD1 3.62Å; I471-L486 HydrophobicContact CG1-CD1 4.06Å; I471-V520 HydrophobicContact CD1-CG2 4.17Å; I471-V520 HydrophobicContact CG2-CG1 3.98Å; I471-L524 HydrophobicContact CG2-CD2 4.48Å; I471-T551 HydrophobicContact CG2-CG2 4.13Å; I471-L554 HydrophobicContact CD1-CD2 3.81Å | ||
| 472 | K | 81.3 | Confident | 81.6 | Confident | 72 Ų | 72 | 29.1 Ų | 29.1 | 31% | 0.313 | 15% | 0.146 | S | C | . | . | trans | -137.3 | 159.6 | 176.8 | -66 | -175.9 | -170.5 | 161.6 | 0 | 110.4 | Y432 G470 D474 S527 | Y432-K472 PolarHBondContact OH-NZ 3.37Å; Y432-K472 VanDerWaalsContact OH-NZ 3.17Å; G470-K472 PolarHBondContact O-N 2.58Å; K472-D474 PolarHBondContact O-N 3.23Å; K472-S527 VanDerWaalsContact CB-OG 3.31Å; K472-S527 WeakPolarHBondContact CB-OG 3.36Å; K472-S527 WeakPolarHBondContact CD-OG 3.38Å; K472-S527 VanDerWaalsContact CG-OG 3.29Å; K472-S527 WeakPolarHBondContact CG-OG 3.45Å | ||
| 473 | L | 82.5 | Confident | 82.1 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | trans | -100.4 | 63.4 | 175.4 | -155.5 | 76.6 | 0 | 0 | 0 | 110.4 | L524 V548 T551 S575 V576 C579 | L473-L524 HydrophobicContact CB-CD2 3.87Å; L473-L524 HydrophobicContact CD1-CD2 4.2Å; L473-V548 HydrophobicContact CD1-CB 4.46Å; L473-V548 HydrophobicContact CD1-CG1 4.09Å; L473-V548 HydrophobicContact CD1-CG2 4.22Å; L473-V548 HydrophobicContact CG-CG2 4.42Å; L473-T551 HydrophobicContact CD1-CG2 4.05Å; L473-S575 VanDerWaalsContact CD2-C 3.41Å; L473-S575 VanDerWaalsContact CD2-O 3.3Å; L473-S575 WeakPolarHBondContact CD2-O 3.36Å; L473-V576 HydrophobicContact CD2-CG2 4.23Å; L473-C579 HydrophobicContact CD2-CB 3.93Å; L473-C579 HydrophobicContact CG-CB 4.17Å | ||
| 474 | D | 79.1 | Confident | 82.9 | Confident | 38 Ų | 38 | 27.8 Ų | 27.8 | 20% | 0.203 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -100.1 | -12.1 | -179.3 | 57.9 | 6.2 | 0 | 0 | 0 | 113.4 | K472 A476 T479 | K472-D474 PolarHBondContact O-N 3.23Å; D474-A476 PolarHBondContact O-N 2.82Å; D474-A476 WeakPolarHBondContact OD1-CB 3.5Å; D474-A476 PolarHBondContact OD1-N 3.36Å; D474-T479 WeakPolarHBondContact OD1-CG2 3.21Å; D474-T479 PolarHBondContact OD1-OG1 3.43Å; D474-T479 WeakPolarHBondContact OD2-CG2 3.46Å |
| 475 | G | 79 | Confident | 83.6 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | 75.5 | 7.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | C544 | G475-C544 WeakPolarHBondContact O-CA 3.29Š| ||
| 476 | A | 84.2 | Confident | 84.3 | Confident | 26 Ų | 26 | 23.6 Ų | 23.6 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | trans | -66.5 | 143.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D474 S478 T479 G480 S547 | D474-A476 PolarHBondContact O-N 2.82Å; D474-A476 WeakPolarHBondContact OD1-CB 3.5Å; D474-A476 PolarHBondContact OD1-N 3.36Å; A476-S478 VanDerWaalsContact C-N 3.25Å; A476-S478 PolarHBondContact O-N 3.31Å; A476-T479 HydrophobicContact CB-CG2 4.26Å; A476-T479 PolarHBondContact O-N 2.8Å; A476-T479 PolarHBondContact O-OG1 3.04Å; A476-G480 PolarHBondContact O-N 3.14Å; A476-S547 VanDerWaalsContact O-CB 3.24Å; A476-S547 WeakPolarHBondContact O-CB 3.12Å; A476-S547 PolarHBondContact O-OG 3.11Å | ||
| 477 | I | 86.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 21.7 Ų | 21.7 | 26% | 0.256 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 179.4 | -64 | 170.8 | 0 | 0 | 0 | 110.6 | V438 G480 L481 T539 D543 | V438-I477 HydrophobicContact CG1-CG2 3.65Å; V438-I477 HydrophobicContact CG2-CG2 4.09Å; I477-G480 PolarHBondContact O-N 3.1Å; I477-L481 HydrophobicContact CG2-CD1 4.23Å; I477-L481 HydrophobicContact CG2-CG 4.37Å; I477-L481 WeakPolarHBondContact O-CG 3.5Å; I477-L481 PolarHBondContact O-N 2.79Å; I477-T539 HydrophobicContact CD1-CG2 4.07Å; I477-T539 HydrophobicContact CG1-CG2 4.15Å; I477-D543 HydrophobicContact CD1-CB 3.88Å; I477-D543 HydrophobicContact CG1-CB 3.89Å |
| 478 | S | 87.2 | Confident | 84.8 | Confident | 19 Ų | 19 | 24.2 Ų | 24.2 | 13% | 0.133 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 179.4 | 53 | 0 | 0 | 0 | 0 | 112.8 | L431 A476 L481 L482 | L431-S478 WeakPolarHBondContact O-CB 3.45Å; L431-S478 PolarHBondContact O-OG 3.39Å; A476-S478 VanDerWaalsContact C-N 3.25Å; A476-S478 PolarHBondContact O-N 3.31Å; S478-L481 PolarHBondContact O-N 3.37Å; S478-L482 PolarHBondContact O-N 2.94Å |
| 479 | T | 86.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 176.1 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | D474 A476 L482 C483 S547 | D474-T479 WeakPolarHBondContact OD1-CG2 3.21Å; D474-T479 PolarHBondContact OD1-OG1 3.43Å; D474-T479 WeakPolarHBondContact OD2-CG2 3.46Å; A476-T479 HydrophobicContact CB-CG2 4.26Å; A476-T479 PolarHBondContact O-N 2.8Å; A476-T479 PolarHBondContact O-OG1 3.04Å; T479-L482 PolarHBondContact O-N 3.36Å; T479-C483 PolarHBondContact O-N 3.31Å; T479-C483 PolarHBondContact O-SG 2.9Å; T479-S547 PolarHBondContact OG1-OG 3.47Å |
| 480 | G | 88.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A476 I477 C483 Q484 S547 A550 | A476-G480 PolarHBondContact O-N 3.14Å; I477-G480 PolarHBondContact O-N 3.1Å; G480-C483 PolarHBondContact O-N 3.32Å; G480-Q484 WeakPolarHBondContact O-CG 3.27Å; G480-Q484 PolarHBondContact O-N 3.41Å; G480-S547 VanDerWaalsContact CA-OG 3.23Å; G480-S547 WeakPolarHBondContact CA-OG 3.43Å; G480-S547 PolarHBondContact N-OG 3.21Å; G480-S547 VanDerWaalsContact N-OG 3.13Å; G480-A550 WeakPolarHBondContact O-CB 3.34Å |
| 481 | L | 89.1 | Confident | 85.2 | Confident | 16 Ų | 16 | 22.3 Ų | 22.3 | 8% | 0.084 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.1 | -74.2 | 178.1 | 0 | 0 | 0 | 112.3 | V438 L441 K442 Y445 I477 S478 C483 Q484 F485 | V438-L481 HydrophobicContact CG1-CD1 3.78Å; L441-L481 HydrophobicContact CD2-CD1 4.12Å; L441-L481 HydrophobicContact CG-CD1 4.41Å; K442-L481 HydrophobicContact CD-CD2 4.26Å; K442-L481 HydrophobicContact CG-CD1 3.67Å; K442-L481 HydrophobicContact CG-CD2 3.6Å; K442-L481 HydrophobicContact CG-CG 4.29Å; Y445-L481 HydrophobicContact CD2-CB 4.11Å; Y445-L481 HydrophobicContact CE2-CB 3.84Å; I477-L481 HydrophobicContact CG2-CD1 4.23Å; I477-L481 HydrophobicContact CG2-CG 4.37Å; I477-L481 WeakPolarHBondContact O-CG 3.5Å; I477-L481 PolarHBondContact O-N 2.79Å; S478-L481 PolarHBondContact O-N 3.37Å; L481-C483 VanDerWaalsContact C-N 3.29Å; L481-C483 PolarHBondContact O-N 3.19Å; L481-Q484 PolarHBondContact O-N 3.37Å; L481-F485 WeakPolarHBondContact O-CB 3.5Å; L481-F485 PolarHBondContact O-N 3.49Å |
| 482 | L | 91.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 173.6 | 177.9 | 64.3 | 0 | 0 | 0 | 111 | L431 Y445 F467 S478 T479 Q484 F485 L486 | L431-L482 HydrophobicContact CD1-CD2 4.09Å; L431-L482 HydrophobicContact CD2-CB 4.23Å; L431-L482 HydrophobicContact CD2-CD2 4.14Å; Y445-L482 HydrophobicContact CE1-CD1 4.07Å; Y445-L482 HydrophobicContact CE2-CB 4.48Å; F467-L482 HydrophobicContact CB-CD1 4.14Å; F467-L482 HydrophobicContact CD1-CD1 3.63Å; F467-L482 HydrophobicContact CE1-CD1 4.39Å; F467-L482 HydrophobicContact CG-CD1 4.12Å; S478-L482 PolarHBondContact O-N 2.94Å; T479-L482 PolarHBondContact O-N 3.36Å; L482-Q484 PolarHBondContact O-N 2.7Å; L482-F485 HydrophobicContact CD1-CD1 4.12Å; L482-F485 WeakPolarHBondContact O-CB 3.35Å; L482-F485 PolarHBondContact O-N 2.84Å; L482-L486 HydrophobicContact CD1-CD1 4.41Å; L482-L486 HydrophobicContact CD1-CG 4.39Å; L482-L486 HydrophobicContact CG-CD1 4.2Å; L482-L486 WeakPolarHBondContact O-CG 3.44Å; L482-L486 PolarHBondContact O-N 3.5Å |
| 483 | C | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 177.1 | -66.3 | 0 | 0 | 0 | 0 | 112 | T479 G480 L481 L486 C487 A550 T551 L554 | T479-C483 PolarHBondContact O-N 3.31Å; T479-C483 PolarHBondContact O-SG 2.9Å; G480-C483 PolarHBondContact O-N 3.32Å; L481-C483 VanDerWaalsContact C-N 3.29Å; L481-C483 PolarHBondContact O-N 3.19Å; C483-L486 PolarHBondContact O-N 3.25Å; C483-C487 WeakPolarHBondContact O-CB 3.28Å; C483-C487 PolarHBondContact O-N 3.25Å; C483-C487 PolarHBondContact O-SG 3.13Å; C483-A550 HydrophobicContact CB-CB 4.22Å; C483-T551 PolarHBondContact SG-OG1 2.91Å; C483-L554 HydrophobicContact CB-CB 4.31Å; C483-L554 HydrophobicContact CB-CD2 4.21Å |
| 484 | Q | 90 | Very high | 83.8 | Confident | 88 Ų | 88 | 25.8 Ų | 25.8 | 41% | 0.411 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.2 | -70.1 | 177.4 | 6.3 | 0 | 0 | 112.4 | G480 L481 L482 C487 T488 A550 | G480-Q484 WeakPolarHBondContact O-CG 3.27Å; G480-Q484 PolarHBondContact O-N 3.41Å; L481-Q484 PolarHBondContact O-N 3.37Å; L482-Q484 PolarHBondContact O-N 2.7Å; Q484-C487 WeakPolarHBondContact O-CB 3.41Å; Q484-C487 PolarHBondContact O-N 3.05Å; Q484-T488 WeakPolarHBondContact O-CB 3.32Å; Q484-T488 PolarHBondContact O-N 3.25Å; Q484-T488 PolarHBondContact O-OG1 2.78Å; Q484-A550 HydrophobicContact CG-CB 3.78Å |
| 485 | F | 91 | Very high | 83.1 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.6 | -52.4 | 172.8 | 164.6 | -106.7 | 0 | 0 | 0 | 111 | Y445 L448 V449 L462 F467 L481 L482 C487 T488 M489 | Y445-F485 HydrophobicContact CD1-CB 3.88Å; Y445-F485 AromaticContact CD1-CD1 3.91Å; Y445-F485 HydrophobicContact CD1-CD1 3.91Å; Y445-F485 AromaticContact CD1-CD2 3.84Å; Y445-F485 HydrophobicContact CD1-CD2 3.84Å; Y445-F485 HydrophobicContact CD1-CE1 4.41Å; Y445-F485 HydrophobicContact CD1-CE2 4.36Å; Y445-F485 AromaticContact CD1-CG 3.58Å; Y445-F485 HydrophobicContact CD1-CG 3.58Å; Y445-F485 HydrophobicContact CD2-CB 4.12Å; Y445-F485 HydrophobicContact CE1-CB 4.45Å; Y445-F485 HydrophobicContact CE1-CD1 4.16Å; Y445-F485 HydrophobicContact CE1-CG 4.23Å; Y445-F485 HydrophobicContact CG-CB 3.72Å; Y445-F485 HydrophobicContact CG-CD2 4.05Å; Y445-F485 AromaticContact CG-CG 3.88Å; Y445-F485 HydrophobicContact CG-CG 3.88Å; L448-F485 HydrophobicContact CB-CE2 3.78Å; L448-F485 HydrophobicContact CB-CZ 4.17Å; L448-F485 HydrophobicContact CD1-CE2 4.49Å; L448-F485 HydrophobicContact CD1-CZ 4.31Å; V449-F485 HydrophobicContact CG2-CD2 3.68Å; V449-F485 HydrophobicContact CG2-CE2 3.81Å; L462-F485 HydrophobicContact CD1-CZ 4.15Å; F467-F485 HydrophobicContact CD2-CE1 4.17Å; F467-F485 HydrophobicContact CE2-CE1 4.04Å; F467-F485 HydrophobicContact CE2-CZ 4.47Å; F467-F485 HydrophobicContact CZ-CE1 4.34Å; L481-F485 WeakPolarHBondContact O-CB 3.5Å; L481-F485 PolarHBondContact O-N 3.49Å; L482-F485 HydrophobicContact CD1-CD1 4.12Å; L482-F485 WeakPolarHBondContact O-CB 3.35Å; L482-F485 PolarHBondContact O-N 2.84Å; F485-C487 VanDerWaalsContact C-N 3.34Å; F485-C487 PolarHBondContact O-N 3.28Å; F485-T488 WeakPolarHBondContact O-CB 3.37Å; F485-T488 PolarHBondContact O-N 3.22Å; F485-M489 HydrophobicContact CD2-CG 3.97Å; F485-M489 HydrophobicContact CE1-CG 4.18Å; F485-M489 HydrophobicContact CE2-CG 3.5Å; F485-M489 VanDerWaalsContact CE2-CG 3.5Å; F485-M489 HydrophobicContact CE2-SD 3.99Å; F485-M489 HydrophobicContact CG-CG 4.48Å; F485-M489 HydrophobicContact CZ-CG 3.62Å; F485-M489 HydrophobicContact CZ-SD 4.31Å; F485-M489 WeakPolarHBondContact O-CG 3.45Å; F485-M489 PolarHBondContact O-N 2.97Å |
| 486 | L | 88.9 | Confident | 82.1 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 179.3 | -68.2 | 174.4 | 0 | 0 | 0 | 112.4 | F467 I471 L482 C483 T488 M489 H490 L515 L554 | F467-L486 HydrophobicContact CB-CD2 4.19Å; I471-L486 HydrophobicContact CD1-CD1 3.62Å; I471-L486 HydrophobicContact CG1-CD1 4.06Å; L482-L486 HydrophobicContact CD1-CD1 4.41Å; L482-L486 HydrophobicContact CD1-CG 4.39Å; L482-L486 HydrophobicContact CG-CD1 4.2Å; L482-L486 WeakPolarHBondContact O-CG 3.44Å; L482-L486 PolarHBondContact O-N 3.5Å; C483-L486 PolarHBondContact O-N 3.25Å; L486-T488 VanDerWaalsContact C-N 3.32Å; L486-T488 PolarHBondContact O-N 2.8Å; L486-M489 PolarHBondContact O-N 3.46Å; L486-H490 VanDerWaalsContact O-CB 3.3Å; L486-H490 WeakPolarHBondContact O-CB 3.34Å; L486-H490 PolarHBondContact O-N 3.44Å; L486-L515 HydrophobicContact CD1-CD1 4.29Å; L486-L515 HydrophobicContact CD2-CD1 4.35Å; L486-L554 HydrophobicContact CB-CD1 3.87Å; L486-L554 HydrophobicContact CB-CD2 4.09Å; L486-L554 HydrophobicContact CD1-CD2 3.95Å |
| 487 | C | 85.5 | Confident | 81 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 171.3 | -75.8 | 0 | 0 | 0 | 0 | 111.8 | C483 Q484 F485 A491 L554 Q557 | C483-C487 WeakPolarHBondContact O-CB 3.28Å; C483-C487 PolarHBondContact O-N 3.25Å; C483-C487 PolarHBondContact O-SG 3.13Å; Q484-C487 WeakPolarHBondContact O-CB 3.41Å; Q484-C487 PolarHBondContact O-N 3.05Å; F485-C487 VanDerWaalsContact C-N 3.34Å; F485-C487 PolarHBondContact O-N 3.28Å; C487-A491 WeakPolarHBondContact O-CB 3.33Å; C487-A491 PolarHBondContact O-N 3.36Å; C487-L554 WeakPolarHBondContact SG-CA 3.3Å; C487-Q557 VanDerWaalsContact CA-OE1 3.3Å; C487-Q557 PolarHBondContact O-NE2 3.47Å; C487-Q557 PolarHBondContact O-OE1 3.06Å; C487-Q557 PolarHBondContact SG-OE1 2.85Å; C487-Q557 VanDerWaalsContact SG-OE1 3.33Å |
| 488 | T | 84.7 | Confident | 79.5 | Confident | 57 Ų | 57 | 36.4 Ų | 36.4 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.3 | -43.3 | -178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | V449 Q484 F485 L486 A491 K492 | V449-T488 HydrophobicContact CG1-CG2 3.87Å; V449-T488 HydrophobicContact CG2-CG2 3.99Å; Q484-T488 WeakPolarHBondContact O-CB 3.32Å; Q484-T488 PolarHBondContact O-N 3.25Å; Q484-T488 PolarHBondContact O-OG1 2.78Å; F485-T488 WeakPolarHBondContact O-CB 3.37Å; F485-T488 PolarHBondContact O-N 3.22Å; L486-T488 VanDerWaalsContact C-N 3.32Å; L486-T488 PolarHBondContact O-N 2.8Å; T488-A491 PolarHBondContact O-N 3.18Å; T488-K492 HydrophobicContact CG2-CD 4.42Å; T488-K492 PolarHBondContact O-N 3.08Å |
| 489 | M | 83.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -47.3 | 175 | -73.2 | -59.3 | -73.4 | 0 | 0 | 111.6 | V449 F452 L462 F485 L486 A491 K492 L493 L497 | V449-M489 HydrophobicContact CB-SD 4.3Å; V449-M489 HydrophobicContact CG2-CG 4.14Å; V449-M489 HydrophobicContact CG2-SD 3.8Å; F452-M489 HydrophobicContact CB-CE 3.55Å; F452-M489 HydrophobicContact CB-SD 4.33Å; F452-M489 HydrophobicContact CD2-CE 3.41Å; F452-M489 VanDerWaalsContact CD2-CE 3.41Å; F452-M489 HydrophobicContact CD2-SD 4.3Å; F452-M489 HydrophobicContact CE2-CE 4.27Å; F452-M489 HydrophobicContact CG-CE 3.61Å; L462-M489 HydrophobicContact CD1-CE 3.4Å; L462-M489 HydrophobicContact CD1-CG 4.47Å; F485-M489 HydrophobicContact CD2-CG 3.97Å; F485-M489 HydrophobicContact CE1-CG 4.18Å; F485-M489 HydrophobicContact CE2-CG 3.5Å; F485-M489 VanDerWaalsContact CE2-CG 3.5Å; F485-M489 HydrophobicContact CE2-SD 3.99Å; F485-M489 HydrophobicContact CG-CG 4.48Å; F485-M489 HydrophobicContact CZ-CG 3.62Å; F485-M489 HydrophobicContact CZ-SD 4.31Å; F485-M489 WeakPolarHBondContact O-CG 3.45Å; F485-M489 PolarHBondContact O-N 2.97Å; L486-M489 PolarHBondContact O-N 3.46Å; M489-A491 VanDerWaalsContact C-N 3.29Å; M489-A491 PolarHBondContact O-N 2.92Å; M489-K492 PolarHBondContact O-N 2.94Å; M489-L493 HydrophobicContact CE-CD1 3.58Å; M489-L493 WeakPolarHBondContact O-CB 3.24Å; M489-L493 PolarHBondContact O-N 2.88Å; M489-L493 HydrophobicContact SD-CD1 4.08Å; M489-L497 HydrophobicContact CB-CD1 4.21Å |
| 490 | H | 80.2 | Confident | 74.7 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 13% | 0.13 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 174.8 | -177.8 | -65.5 | 0 | 0 | 0 | 112.1 | L486 S494 F498 Q557 L558 | L486-H490 VanDerWaalsContact O-CB 3.3Å; L486-H490 WeakPolarHBondContact O-CB 3.34Å; L486-H490 PolarHBondContact O-N 3.44Å; H490-S494 WeakPolarHBondContact O-CB 3.32Å; H490-S494 PolarHBondContact O-N 2.98Å; H490-F498 AromaticContact CD2-CE2 3.4Å; H490-F498 VanDerWaalsContact CD2-CE2 3.4Å; H490-F498 WeakPolarHBondContact CD2-CE2 3.25Å; H490-F498 AromaticContact CD2-CZ 3.62Å; H490-F498 AromaticContact NE2-CE2 3.34Å; H490-F498 VanDerWaalsContact NE2-CE2 3.34Å; H490-F498 WeakPolarHBondContact NE2-CE2 3.39Å; H490-F498 AromaticContact NE2-CZ 3.62Å; H490-Q557 PolarHBondContact ND1-NE2 2.95Å; H490-L558 VanDerWaalsContact CD2-CD2 3.42Å; H490-L558 WeakPolarHBondContact CD2-CD2 3.44Å |
| 491 | A | 76.4 | Confident | 72.1 | Confident | 33 Ų | 33 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C487 T488 M489 | C487-A491 WeakPolarHBondContact O-CB 3.33Å; C487-A491 PolarHBondContact O-N 3.36Å; T488-A491 PolarHBondContact O-N 3.18Å; M489-A491 VanDerWaalsContact C-N 3.29Å; M489-A491 PolarHBondContact O-N 2.92Å |
| 492 | K | 75.2 | Confident | 69.5 | Low | 110 Ų | 110 | 54.9 Ų | 54.9 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -86.8 | -30.6 | -175 | -72.7 | -171.8 | 170.3 | -169.6 | 0 | 114.6 | V449 T488 M489 | V449-K492 HydrophobicContact CG1-CD 3.93Å; T488-K492 HydrophobicContact CG2-CD 4.42Å; T488-K492 PolarHBondContact O-N 3.08Å; M489-K492 PolarHBondContact O-N 2.94Å |
| 493 | L | 73.5 | Confident | 66.8 | Low | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -130.6 | 27.5 | -166.8 | -62.8 | 168.1 | 0 | 0 | 0 | 112.5 | F452 P456 A459 M489 Q495 F496 L497 | F452-L493 HydrophobicContact CB-CD1 3.54Å; P456-L493 HydrophobicContact CB-CD2 4.14Å; P456-L493 HydrophobicContact CG-CD2 4.47Å; A459-L493 HydrophobicContact CB-CD1 4.31Å; M489-L493 HydrophobicContact CE-CD1 3.58Å; M489-L493 WeakPolarHBondContact O-CB 3.24Å; M489-L493 PolarHBondContact O-N 2.88Å; M489-L493 HydrophobicContact SD-CD1 4.08Å; L493-Q495 PolarHBondContact O-N 3.26Å; L493-Q495 VanDerWaalsContact O-N 3.1Å; L493-F496 HydrophobicContact CB-CD2 4.45Å; L493-F496 HydrophobicContact CD2-CD2 3.86Å; L493-F496 HydrophobicContact CD2-CE2 4.26Å; L493-F496 PolarHBondContact O-N 3.36Å; L493-L497 PolarHBondContact O-N 3.09Å; L493-L497 VanDerWaalsContact O-N 3.14Å |
| 494 | S | 68.8 | Low | 64 | Low | 42 Ų | 42 | 66.2 Ų | 66.2 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51.3 | -38.2 | -179.4 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | H490 F496 L497 F498 | H490-S494 WeakPolarHBondContact O-CB 3.32Å; H490-S494 PolarHBondContact O-N 2.98Å; S494-F496 VanDerWaalsContact C-N 3.26Å; S494-F496 PolarHBondContact O-N 3.21Å; S494-L497 PolarHBondContact O-N 2.98Å; S494-F498 WeakPolarHBondContact O-CD2 3.3Å; S494-F498 PolarHBondContact O-N 2.88Å |
| 495 | Q | 65 | Low | 61.2 | Low | 132 Ų | 132 | 67.9 Ų | 67.9 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.9 | -25.6 | -179.2 | 67.6 | -172.4 | -6.9 | 0 | 0 | 114.3 | L493 | L493-Q495 PolarHBondContact O-N 3.26Å; L493-Q495 VanDerWaalsContact O-N 3.1Å |
| 496 | F | 58.1 | Low | 58.4 | Low | 67 Ų | 67 | 73.7 Ų | 73.7 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -98.3 | -27 | -178.5 | -61.7 | -73.8 | 0 | 0 | 0 | 113 | P456 A459 L493 S494 | P456-F496 HydrophobicContact CB-CD1 4.45Å; P456-F496 HydrophobicContact CB-CD2 3.69Å; P456-F496 HydrophobicContact CB-CE1 4.12Å; P456-F496 HydrophobicContact CB-CE2 3.26Å; P456-F496 HydrophobicContact CB-CG 4.27Å; P456-F496 HydrophobicContact CB-CZ 3.52Å; P456-F496 HydrophobicContact CG-CE2 4.22Å; P456-F496 HydrophobicContact CG-CZ 4.5Å; A459-F496 HydrophobicContact CB-CB 3.85Å; L493-F496 HydrophobicContact CB-CD2 4.45Å; L493-F496 HydrophobicContact CD2-CD2 3.86Å; L493-F496 HydrophobicContact CD2-CE2 4.26Å; L493-F496 PolarHBondContact O-N 3.36Å; S494-F496 VanDerWaalsContact C-N 3.26Å; S494-F496 PolarHBondContact O-N 3.21Å |
| 497 | L | 61.1 | Low | 55.8 | Low | 45 Ų | 45 | 80 Ų | 80 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -77.3 | -30.7 | 177.4 | -69.3 | 169.8 | 0 | 0 | 0 | 112.3 | L462 M489 L493 S494 | L462-L497 HydrophobicContact CB-CD2 4.16Å; L462-L497 HydrophobicContact CD2-CD2 3.99Å; L462-L497 HydrophobicContact CG-CD2 4.47Å; M489-L497 HydrophobicContact CB-CD1 4.21Å; L493-L497 PolarHBondContact O-N 3.09Å; L493-L497 VanDerWaalsContact O-N 3.14Å; S494-L497 PolarHBondContact O-N 2.98Å |
| 498 | F | 53.4 | Low | 53.3 | Low | 94 Ų | 94 | 87.2 Ų | 87.2 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -109.9 | 74.2 | 176 | -57.4 | -79.3 | 0 | 0 | 0 | 109.7 | H490 S494 N500 L558 | H490-F498 AromaticContact CD2-CE2 3.4Å; H490-F498 VanDerWaalsContact CD2-CE2 3.4Å; H490-F498 WeakPolarHBondContact CD2-CE2 3.25Å; H490-F498 AromaticContact CD2-CZ 3.62Å; H490-F498 AromaticContact NE2-CE2 3.34Å; H490-F498 VanDerWaalsContact NE2-CE2 3.34Å; H490-F498 WeakPolarHBondContact NE2-CE2 3.39Å; H490-F498 AromaticContact NE2-CZ 3.62Å; S494-F498 WeakPolarHBondContact O-CD2 3.3Å; S494-F498 PolarHBondContact O-N 2.88Å; F498-N500 PolarHBondContact O-N 2.73Å; F498-L558 HydrophobicContact CZ-CD2 4.43Å |
| 499 | L | 41.7 | Very low | 50.9 | Low | 112 Ų | 112 | 92.1 Ų | 92.1 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | trans | -57.8 | 126.4 | 165 | -85.5 | 147.4 | 0 | 0 | 0 | 108.6 | ||||
| 500 | N | 32.3 | Very low | 48.5 | Very low | 115 Ų | 115 | 99.3 Ų | 99.3 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | trans | -46.1 | 128.5 | 179.7 | -122.9 | -26.2 | 0 | 0 | 0 | 110.2 | F498 S502 I503 | F498-N500 PolarHBondContact O-N 2.73Å; N500-S502 PolarHBondContact O-N 3.18Å; N500-I503 PolarHBondContact O-N 2.86Å; N500-I503 VanDerWaalsContact O-N 3.14Å | ||
| 501 | P | 34.9 | Very low | 46.6 | Very low | 100 Ų | 100 | 107.9 Ų | 107.9 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -5.4 | 179.7 | 22.5 | -31.4 | 0 | 0 | 0 | 114.1 | I503 T504 | P501-I503 VanDerWaalsContact C-N 3.29Å; P501-I503 PolarHBondContact O-N 3.49Å; P501-T504 PolarHBondContact O-OG1 3.21Å |
| 502 | S | 33.4 | Very low | 45.2 | Very low | 98 Ų | 98 | 109.5 Ų | 109.5 | 69% | 0.685 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -9.7 | 173.8 | 52 | 0 | 0 | 0 | 0 | 114.6 | N500 | N500-S502 PolarHBondContact O-N 3.18Š|
| 503 | I | 33.9 | Very low | 44.1 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | trans | -110.4 | 57.7 | 172.3 | -46.4 | 175.3 | 0 | 0 | 0 | 108.8 | N500 P501 | N500-I503 PolarHBondContact O-N 2.86Å; N500-I503 VanDerWaalsContact O-N 3.14Å; P501-I503 VanDerWaalsContact C-N 3.29Å; P501-I503 PolarHBondContact O-N 3.49Å | ||
| 504 | T | 33.1 | Very low | 43.6 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 72% | 0.718 | 62% | 0.618 | S | S | * | * | trans | -100.8 | 84 | 159.4 | 45.6 | 0 | 0 | 0 | 0 | 107.7 | P501 V506 | P501-T504 PolarHBondContact O-OG1 3.21Å; T504-V506 PolarHBondContact O-N 3.34Å | ||
| 505 | T | 31.3 | Very low | 43.7 | Very low | 122 Ų | 122 | 114.1 Ų | 114.1 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | trans | -62.3 | 114.2 | 155.1 | 42.7 | 0 | 0 | 0 | 0 | 107.4 | D507 | T505-D507 PolarHBondContact O-N 3.23Å; T505-D507 VanDerWaalsContact O-N 3.14Å | ||
| 506 | V | 31.9 | Very low | 44.1 | Very low | 129 Ų | 129 | 110.9 Ų | 110.9 | 78% | 0.782 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 4.4 | 90.8 | 156.5 | -168 | 0 | 0 | 0 | 0 | 114.6 | T504 | T504-V506 PolarHBondContact O-N 3.34Š|
| 507 | D | 33.5 | Very low | 45.3 | Very low | 137 Ų | 137 | 110.4 Ų | 110.4 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | trans | -154.1 | 101.3 | 147.4 | -88.8 | -34.2 | 0 | 0 | 0 | 108 | T505 D509 | T505-D507 PolarHBondContact O-N 3.23Å; T505-D507 VanDerWaalsContact O-N 3.14Å; D507-D509 VanDerWaalsContact C-N 3.28Å; D507-D509 PolarHBondContact O-N 3.16Å | ||
| 508 | N | 34 | Very low | 46.2 | Very low | 163 Ų | 163 | 110.3 Ų | 110.3 | 87% | 0.872 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 6.5 | -170.1 | -95.1 | -21.4 | 0 | 0 | 0 | 114.3 | ||
| 509 | D | 33.1 | Very low | 47.4 | Very low | 159 Ų | 159 | 108.2 Ų | 108.2 | 85% | 0.85 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 4 | -167.7 | -83.4 | -24.5 | 0 | 0 | 0 | 117.1 | D507 | D507-D509 VanDerWaalsContact C-N 3.28Å; D507-D509 PolarHBondContact O-N 3.16Å |
| 510 | M | 34.5 | Very low | 49.4 | Very low | 153 Ų | 153 | 102.9 Ų | 102.9 | 75% | 0.754 | 57% | 0.566 | S | S | * | * | trans | -112.5 | 100 | 169.1 | -75.8 | -72.3 | 178.9 | 0 | 0 | 110.7 | S512 | M510-S512 PolarHBondContact O-N 2.9Š| ||
| 511 | K | 40.4 | Very low | 51.9 | Low | 207 Ų | 207 | 97.9 Ų | 97.9 | 90% | 0.9 | 54% | 0.539 | S | S | * | . | trans | -65.2 | 52.7 | 161 | -72.4 | 177.3 | 177.8 | 169.5 | 0 | 110.7 | V513 | K511-V513 PolarHBondContact O-N 2.99Š| ||
| 512 | S | 46.6 | Very low | 54.1 | Low | 67 Ų | 67 | 95.7 Ų | 95.7 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | trans | -61.9 | 106.7 | 175.2 | 61.9 | 0 | 0 | 0 | 0 | 107.6 | M510 Q514 | M510-S512 PolarHBondContact O-N 2.9Å; S512-Q514 PolarHBondContact O-N 3.46Å | ||
| 513 | V | 52.4 | Low | 56.2 | Low | 86 Ų | 86 | 93.9 Ų | 93.9 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | trans | -65.1 | 100.8 | -175.8 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | L468 K511 N519 | L468-V513 HydrophobicContact CD2-CB 3.8Å; L468-V513 HydrophobicContact CD2-CG1 3.28Å; K511-V513 PolarHBondContact O-N 2.99Å; V513-N519 HydrophobicContact CG1-CB 4.05Å; V513-N519 VanDerWaalsContact CG1-ND2 3.33Å; V513-N519 WeakPolarHBondContact CG1-ND2 3.46Å | ||
| 514 | Q | 63 | Low | 58.4 | Low | 133 Ų | 133 | 88 Ų | 88 | 62% | 0.621 | 48% | 0.476 | S | S | * | . | trans | -58.3 | 145.8 | 176.6 | -70.5 | -179.1 | -11.6 | 0 | 0 | 110.4 | S512 N516 N519 | S512-Q514 PolarHBondContact O-N 3.46Å; Q514-N516 PolarHBondContact O-N 3.35Å; Q514-N519 PolarHBondContact O-ND2 3Å | ||
| 515 | L | 69.2 | Low | 60.3 | Low | 39 Ų | 39 | 85.5 Ų | 85.5 | 20% | 0.204 | 46% | 0.46 | C | S | . | . | trans | -70.7 | 73.3 | 176.2 | -168.1 | 107.8 | 0 | 0 | 0 | 110.2 | L468 L486 L558 | L468-L515 HydrophobicContact CD1-CD1 3.83Å; L468-L515 HydrophobicContact CD1-CG 4.39Å; L486-L515 HydrophobicContact CD1-CD1 4.29Å; L486-L515 HydrophobicContact CD2-CD1 4.35Å; L515-L558 HydrophobicContact CD2-CD1 4.35Å; L515-L558 HydrophobicContact CD2-CD2 3.44Å; L515-L558 VanDerWaalsContact CD2-CD2 3.44Å; L515-L558 HydrophobicContact CG-CD1 4.33Å; L515-L558 HydrophobicContact CG-CD2 4.16Å | ||
| 516 | N | 75 | Confident | 62.1 | Low | 63 Ų | 63 | 86.1 Ų | 86.1 | 34% | 0.337 | 46% | 0.459 | S | S | . | . | trans | -107.7 | 146.1 | 179.3 | -165.8 | -4.9 | 0 | 0 | 0 | 110.3 | Q514 S518 N519 V520 | Q514-N516 PolarHBondContact O-N 3.35Å; N516-S518 PolarHBondContact ND2-OG 2.83Å; N516-S518 PolarHBondContact O-N 3.43Å; N516-N519 PolarHBondContact O-N 3.39Å; N516-N519 VanDerWaalsContact O-N 3.14Å; N516-V520 PolarHBondContact O-N 3.4Å; N516-V520 VanDerWaalsContact O-N 3.13Å | ||
| 517 | Y | 81.6 | Confident | 63.5 | Low | 57 Ų | 57 | 81.8 Ų | 81.8 | 22% | 0.224 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -58.6 | -34.4 | -178.5 | 80 | -89.5 | 0 | 0 | 0 | 112.1 | V520 L521 T559 L564 E568 | Y517-V520 PolarHBondContact O-N 3.46Å; Y517-L521 VanDerWaalsContact O-CB 3.27Å; Y517-L521 WeakPolarHBondContact O-CB 3.43Å; Y517-L521 PolarHBondContact O-N 3.5Å; Y517-T559 HydrophobicContact CD2-CG2 4.24Å; Y517-T559 HydrophobicContact CG-CG2 4.13Å; Y517-L564 HydrophobicContact CD2-CD2 4.2Å; Y517-L564 HydrophobicContact CE2-CD2 4.25Å; Y517-E568 WeakPolarHBondContact CE2-OE1 3.45Å |
| 518 | S | 80.4 | Confident | 64.5 | Low | 44 Ų | 44 | 77.2 Ų | 77.2 | 31% | 0.308 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 178.5 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | N516 S522 | N516-S518 PolarHBondContact ND2-OG 2.83Å; N516-S518 PolarHBondContact O-N 3.43Å; S518-S522 WeakPolarHBondContact O-CB 3.46Å; S518-S522 PolarHBondContact O-N 2.99Å; S518-S522 PolarHBondContact O-OG 2.83Å |
| 519 | N | 79.7 | Confident | 65.2 | Low | 50 Ų | 50 | 77.3 Ų | 77.3 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 176.5 | -68.2 | -18.5 | 0 | 0 | 0 | 111.5 | V513 Q514 N516 S522 K523 | V513-N519 HydrophobicContact CG1-CB 4.05Å; V513-N519 VanDerWaalsContact CG1-ND2 3.33Å; V513-N519 WeakPolarHBondContact CG1-ND2 3.46Å; Q514-N519 PolarHBondContact O-ND2 3Å; N516-N519 PolarHBondContact O-N 3.39Å; N516-N519 VanDerWaalsContact O-N 3.14Å; N519-S522 PolarHBondContact O-OG 3.08Å; N519-K523 WeakPolarHBondContact O-CB 3.49Å; N519-K523 PolarHBondContact O-N 2.92Å; N519-K523 VanDerWaalsContact O-N 3.08Å |
| 520 | V | 83.4 | Confident | 65.7 | Low | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | L468 I471 N516 Y517 S522 K523 L524 V555 L558 | L468-V520 HydrophobicContact CD1-CG2 3.8Å; I471-V520 HydrophobicContact CD1-CG2 4.17Å; I471-V520 HydrophobicContact CG2-CG1 3.98Å; N516-V520 PolarHBondContact O-N 3.4Å; N516-V520 VanDerWaalsContact O-N 3.13Å; Y517-V520 PolarHBondContact O-N 3.46Å; V520-S522 PolarHBondContact O-N 2.65Å; V520-K523 WeakPolarHBondContact O-CB 3.41Å; V520-K523 PolarHBondContact O-N 3.44Å; V520-L524 HydrophobicContact CG1-CD1 4.24Å; V520-L524 HydrophobicContact CG1-CG 4.37Å; V520-L524 VanDerWaalsContact O-CG 3.3Å; V520-L524 WeakPolarHBondContact O-CG 3.33Å; V520-L524 PolarHBondContact O-N 3.14Å; V520-V555 HydrophobicContact CB-CG2 4.5Å; V520-V555 HydrophobicContact CG1-CG2 3.69Å; V520-L558 HydrophobicContact CB-CD1 4.5Å; V520-L558 HydrophobicContact CG2-CD1 3.73Å |
| 521 | L | 84.1 | Confident | 66.1 | Low | 9 Ų | 9 | 77.6 Ų | 77.6 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | -178.8 | -172.6 | 64.3 | 0 | 0 | 0 | 112.8 | Y517 L524 T525 E568 I571 L572 | Y517-L521 VanDerWaalsContact O-CB 3.27Å; Y517-L521 WeakPolarHBondContact O-CB 3.43Å; Y517-L521 PolarHBondContact O-N 3.5Å; L521-L524 PolarHBondContact O-N 2.68Å; L521-T525 PolarHBondContact O-N 3.36Å; L521-T525 PolarHBondContact O-OG1 2.89Å; L521-E568 HydrophobicContact CD2-CB 3.71Å; L521-E568 HydrophobicContact CD2-CG 3.72Å; L521-I571 HydrophobicContact CD1-CG2 4.21Å; L521-I571 HydrophobicContact CG-CG2 4.31Å; L521-L572 HydrophobicContact CD1-CB 4.11Å; L521-L572 HydrophobicContact CD1-CD1 4.14Å |
| 522 | S | 81 | Confident | 66.2 | Low | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | S518 N519 V520 T525 N526 | S518-S522 WeakPolarHBondContact O-CB 3.46Å; S518-S522 PolarHBondContact O-N 2.99Å; S518-S522 PolarHBondContact O-OG 2.83Å; N519-S522 PolarHBondContact O-OG 3.08Å; V520-S522 PolarHBondContact O-N 2.65Å; S522-T525 WeakPolarHBondContact O-CB 3.42Å; S522-T525 PolarHBondContact O-N 2.7Å; S522-T525 VanDerWaalsContact O-N 3.15Å; S522-N526 PolarHBondContact O-N 3.14Å; S522-N526 VanDerWaalsContact O-N 3.08Å |
| 523 | K | 78.7 | Confident | 66.1 | Low | 60 Ų | 60 | 70.5 Ų | 70.5 | 26% | 0.261 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 172.2 | -94.7 | 179.9 | 169.7 | 172.2 | 0 | 112.9 | L468 E469 N519 V520 T525 N526 S527 | L468-K523 PolarHBondContact O-NZ 2.67Å; E469-K523 VanDerWaalsContact CA-NZ 3.34Å; N519-K523 WeakPolarHBondContact O-CB 3.49Å; N519-K523 PolarHBondContact O-N 2.92Å; N519-K523 VanDerWaalsContact O-N 3.08Å; V520-K523 WeakPolarHBondContact O-CB 3.41Å; V520-K523 PolarHBondContact O-N 3.44Å; K523-T525 PolarHBondContact O-N 2.99Å; K523-N526 PolarHBondContact O-N 2.99Å; K523-N526 VanDerWaalsContact O-N 3.16Å; K523-S527 VanDerWaalsContact O-CB 3.29Å; K523-S527 WeakPolarHBondContact O-CB 3.21Å; K523-S527 PolarHBondContact O-N 3.24Å |
| 524 | L | 79.2 | Confident | 65.3 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.3 | -31.3 | 176.5 | -64.2 | 174.6 | 0 | 0 | 0 | 111.7 | I471 L473 V520 L521 I528 T551 V555 L572 | I471-L524 HydrophobicContact CG2-CD2 4.48Å; L473-L524 HydrophobicContact CB-CD2 3.87Å; L473-L524 HydrophobicContact CD1-CD2 4.2Å; V520-L524 HydrophobicContact CG1-CD1 4.24Å; V520-L524 HydrophobicContact CG1-CG 4.37Å; V520-L524 VanDerWaalsContact O-CG 3.3Å; V520-L524 WeakPolarHBondContact O-CG 3.33Å; V520-L524 PolarHBondContact O-N 3.14Å; L521-L524 PolarHBondContact O-N 2.68Å; L524-I528 WeakPolarHBondContact O-CD1 3.48Å; L524-I528 WeakPolarHBondContact O-CG1 3.45Å; L524-T551 HydrophobicContact CD1-CG2 4.28Å; L524-T551 HydrophobicContact CD2-CG2 3.6Å; L524-V555 HydrophobicContact CD1-CG2 3.64Å; L524-L572 HydrophobicContact CD1-CD1 4.4Å |
| 525 | T | 74.1 | Confident | 64 | Low | 63 Ų | 63 | 70.3 Ų | 70.3 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.8 | -42.6 | 176.1 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | L521 S522 K523 I571 | L521-T525 PolarHBondContact O-N 3.36Å; L521-T525 PolarHBondContact O-OG1 2.89Å; S522-T525 WeakPolarHBondContact O-CB 3.42Å; S522-T525 PolarHBondContact O-N 2.7Å; S522-T525 VanDerWaalsContact O-N 3.15Å; K523-T525 PolarHBondContact O-N 2.99Å; T525-I571 HydrophobicContact CG2-CG2 4.44Å; T525-I571 WeakPolarHBondContact OG1-CG2 3.43Å |
| 526 | N | 68.4 | Low | 62.3 | Low | 136 Ų | 136 | 72.4 Ų | 72.4 | 73% | 0.727 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -78.7 | -27 | -176.7 | -67.6 | -14 | 0 | 0 | 0 | 113.6 | S522 K523 I528 | S522-N526 PolarHBondContact O-N 3.14Å; S522-N526 VanDerWaalsContact O-N 3.08Å; K523-N526 PolarHBondContact O-N 2.99Å; K523-N526 VanDerWaalsContact O-N 3.16Å; N526-I528 PolarHBondContact O-N 3.25Å |
| 527 | S | 60.6 | Low | 60.9 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -5.7 | -176.4 | -177.2 | 0 | 0 | 0 | 0 | 114 | K472 K523 H529 | K472-S527 VanDerWaalsContact CB-OG 3.31Å; K472-S527 WeakPolarHBondContact CB-OG 3.36Å; K472-S527 WeakPolarHBondContact CD-OG 3.38Å; K472-S527 VanDerWaalsContact CG-OG 3.29Å; K472-S527 WeakPolarHBondContact CG-OG 3.45Å; K523-S527 VanDerWaalsContact O-CB 3.29Å; K523-S527 WeakPolarHBondContact O-CB 3.21Å; K523-S527 PolarHBondContact O-N 3.24Å; S527-H529 PolarHBondContact O-N 2.97Å |
| 528 | I | 54.2 | Low | 59.1 | Low | 40 Ų | 40 | 80.3 Ų | 80.3 | 21% | 0.205 | 45% | 0.45 | C | S | . | . | trans | -101.7 | 89.5 | -167.3 | -28.6 | 175.5 | 0 | 0 | 0 | 111.7 | L524 N526 K578 | L524-I528 WeakPolarHBondContact O-CD1 3.48Å; L524-I528 WeakPolarHBondContact O-CG1 3.45Å; N526-I528 PolarHBondContact O-N 3.25Å; I528-K578 HydrophobicContact CB-CD 4.14Å; I528-K578 HydrophobicContact CD1-CD 4.36Å; I528-K578 HydrophobicContact CG2-CB 4.43Å; I528-K578 HydrophobicContact CG2-CD 3.4Å; I528-K578 VanDerWaalsContact CG2-CD 3.4Å; I528-K578 HydrophobicContact CG2-CG 3.75Å; I528-K578 PolarHBondContact O-NZ 2.91Å | ||
| 529 | H | 48.6 | Very low | 57.7 | Low | 165 Ų | 165 | 80.6 Ų | 80.6 | 76% | 0.764 | 45% | 0.45 | S | S | * | . | trans | -53.6 | 151.7 | 168.3 | -89.2 | -83.2 | 0 | 0 | 0 | 112 | S527 N531 K578 | S527-H529 PolarHBondContact O-N 2.97Å; H529-N531 PolarHBondContact O-N 2.67Å; H529-K578 WeakPolarHBondContact O-CE 3.38Å; H529-K578 PolarHBondContact O-NZ 3.48Å; H529-K578 VanDerWaalsContact O-NZ 3.07Å | ||
| 530 | E | 45.3 | Very low | 56.8 | Low | 172 Ų | 172 | 81 Ų | 81 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -65.3 | -24.2 | -177.1 | -71.2 | -170.5 | 144.7 | 0 | 0 | 113.8 | G532 | E530-G532 PolarHBondContact O-N 2.94Š|
| 531 | N | 41.9 | Very low | 56.3 | Low | 147 Ų | 147 | 87 Ų | 87 | 79% | 0.786 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -87.2 | 92 | 177.2 | -65.4 | -17.6 | 0 | 0 | 0 | 109.2 | H529 L533 | H529-N531 PolarHBondContact O-N 2.67Å; N531-L533 PolarHBondContact O-N 3.47Å |
| 532 | G | 43.1 | Very low | 56.1 | Low | 29 Ų | 29 | 91.1 Ų | 91.1 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | trans | -44.9 | 137.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E530 S534 | E530-G532 PolarHBondContact O-N 2.94Å; G532-S534 PolarHBondContact O-N 3.1Å; G532-S534 VanDerWaalsContact O-N 3.12Å | ||
| 533 | L | 43.7 | Very low | 56.2 | Low | 96 Ų | 96 | 91.7 Ų | 91.7 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | trans | -35.9 | 115.5 | -175.4 | -69.2 | 160.2 | 0 | 0 | 0 | 110.8 | N531 | N531-L533 PolarHBondContact O-N 3.47Š| ||
| 534 | S | 36.6 | Very low | 56.4 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | trans | -57.6 | 128.3 | 159.9 | 51 | 0 | 0 | 0 | 0 | 106.1 | G532 S536 | G532-S534 PolarHBondContact O-N 3.1Å; G532-S534 VanDerWaalsContact O-N 3.12Å; S534-S536 PolarHBondContact O-N 3.03Å; S534-S536 PolarHBondContact OG-OG 3.48Å | ||
| 535 | P | 35.6 | Very low | 56.8 | Low | 134 Ų | 134 | 90.4 Ų | 90.4 | 87% | 0.87 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 28.7 | -175 | 28.6 | -36.1 | 0 | 0 | 0 | 113.6 | ||
| 536 | S | 33.2 | Very low | 57.5 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 58% | 0.58 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 3.9 | -177.1 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | S534 | S534-S536 PolarHBondContact O-N 3.03Å; S534-S536 PolarHBondContact OG-OG 3.48Å |
| 537 | S | 45.5 | Very low | 58.4 | Low | 68 Ų | 68 | 84 Ų | 84 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -85.9 | 115 | 167.5 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | T539 | S537-T539 PolarHBondContact O-N 2.81Š|
| 538 | F | 43.9 | Very low | 59.8 | Low | 218 Ų | 218 | 82.2 Ų | 82.2 | 96% | 0.956 | 46% | 0.462 | S | S | * | . | trans | -56.4 | 22 | -175.9 | -74 | -92 | 0 | 0 | 0 | 117.4 | ||||
| 539 | T | 51.8 | Low | 61.5 | Low | 49 Ų | 49 | 81.4 Ų | 81.4 | 30% | 0.301 | 46% | 0.458 | S | S | . | . | trans | -86.4 | 135.2 | 177.7 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | I477 S537 | I477-T539 HydrophobicContact CD1-CG2 4.07Å; I477-T539 HydrophobicContact CG1-CG2 4.15Å; S537-T539 PolarHBondContact O-N 2.81Å | ||
| 540 | S | 60.8 | Low | 63.5 | Low | 58 Ų | 58 | 74 Ų | 74 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | trans | -58.1 | 146 | 171.7 | 80.5 | 0 | 0 | 0 | 0 | 109.8 | Q542 D543 C544 | S540-Q542 PolarHBondContact O-N 3.29Å; S540-D543 WeakPolarHBondContact CB-OD2 3.41Å; S540-D543 PolarHBondContact O-N 3.42Å; S540-D543 PolarHBondContact OG-N 3.44Å; S540-D543 PolarHBondContact OG-OD2 2.87Å; S540-C544 PolarHBondContact O-N 3.1Å | ||
| 541 | T | 71.9 | Confident | 65.7 | Low | 126 Ų | 126 | 65.8 Ų | 65.8 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -54.2 | -30.7 | 178.1 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | V545 | T541-V545 VanDerWaalsContact O-CG2 3.27Å; T541-V545 WeakPolarHBondContact O-CG2 3.24Å; T541-V545 PolarHBondContact O-N 3.38Å |
| 542 | Q | 81 | Confident | 68 | Low | 96 Ų | 96 | 58.8 Ų | 58.8 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.8 | -36.2 | 178 | -173 | 56.1 | 43.6 | 0 | 0 | 113.2 | S540 T546 | S540-Q542 PolarHBondContact O-N 3.29Å; Q542-T546 WeakPolarHBondContact O-CB 3.29Å; Q542-T546 PolarHBondContact O-N 3.01Å; Q542-T546 PolarHBondContact O-OG1 3.3Å |
| 543 | D | 81.7 | Confident | 70.2 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 177.4 | -65 | -39.1 | 0 | 0 | 0 | 111 | I477 S540 V545 T546 S547 | I477-D543 HydrophobicContact CD1-CB 3.88Å; I477-D543 HydrophobicContact CG1-CB 3.89Å; S540-D543 WeakPolarHBondContact CB-OD2 3.41Å; S540-D543 PolarHBondContact O-N 3.42Å; S540-D543 PolarHBondContact OG-N 3.44Å; S540-D543 PolarHBondContact OG-OD2 2.87Å; D543-V545 PolarHBondContact O-N 2.95Å; D543-T546 WeakPolarHBondContact O-CB 3.39Å; D543-T546 PolarHBondContact O-N 3.31Å; D543-T546 VanDerWaalsContact O-N 3.13Å; D543-S547 PolarHBondContact O-N 3.07Å |
| 544 | C | 84.4 | Confident | 72.4 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 14% | 0.142 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | G475 S540 T546 S547 V548 L580 | G475-C544 WeakPolarHBondContact O-CA 3.29Å; S540-C544 PolarHBondContact O-N 3.1Å; C544-T546 VanDerWaalsContact C-N 3.3Å; C544-T546 PolarHBondContact O-N 2.95Å; C544-S547 PolarHBondContact O-N 3.41Å; C544-V548 WeakPolarHBondContact O-CG2 3.4Å; C544-V548 PolarHBondContact O-N 3Å; C544-L580 VanDerWaalsContact SG-CD2 3.5Å |
| 545 | V | 87 | Confident | 75 | Confident | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 175 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | T541 D543 V548 L549 L580 I602 | T541-V545 VanDerWaalsContact O-CG2 3.27Å; T541-V545 WeakPolarHBondContact O-CG2 3.24Å; T541-V545 PolarHBondContact O-N 3.38Å; D543-V545 PolarHBondContact O-N 2.95Å; V545-V548 PolarHBondContact O-N 2.79Å; V545-L549 HydrophobicContact CG1-CD1 3.88Å; V545-L549 HydrophobicContact CG1-CG 4.35Å; V545-L549 WeakPolarHBondContact O-CB 3.33Å; V545-L549 VanDerWaalsContact O-CG 3.24Å; V545-L549 WeakPolarHBondContact O-CG 3.48Å; V545-L549 PolarHBondContact O-N 2.9Å; V545-L580 HydrophobicContact CG2-CD1 4.18Å; V545-L580 HydrophobicContact CG2-CD2 4.03Å; V545-I602 HydrophobicContact CG2-CD1 4.11Å; V545-I602 HydrophobicContact CG2-CG1 4.25Å |
| 546 | T | 87.6 | Confident | 77.5 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 36% | 0.362 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66 | -40.1 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | Q542 D543 C544 L549 A550 | Q542-T546 WeakPolarHBondContact O-CB 3.29Å; Q542-T546 PolarHBondContact O-N 3.01Å; Q542-T546 PolarHBondContact O-OG1 3.3Å; D543-T546 WeakPolarHBondContact O-CB 3.39Å; D543-T546 PolarHBondContact O-N 3.31Å; D543-T546 VanDerWaalsContact O-N 3.13Å; C544-T546 VanDerWaalsContact C-N 3.3Å; C544-T546 PolarHBondContact O-N 2.95Å; T546-L549 PolarHBondContact O-N 3.44Å; T546-A550 PolarHBondContact O-N 3.16Å; T546-A550 VanDerWaalsContact O-N 3.08Å |
| 547 | S | 87.3 | Confident | 80 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -51.4 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | A476 T479 G480 D543 C544 L549 A550 T551 | A476-S547 VanDerWaalsContact O-CB 3.24Å; A476-S547 WeakPolarHBondContact O-CB 3.12Å; A476-S547 PolarHBondContact O-OG 3.11Å; T479-S547 PolarHBondContact OG1-OG 3.47Å; G480-S547 VanDerWaalsContact CA-OG 3.23Å; G480-S547 WeakPolarHBondContact CA-OG 3.43Å; G480-S547 PolarHBondContact N-OG 3.21Å; G480-S547 VanDerWaalsContact N-OG 3.13Å; D543-S547 PolarHBondContact O-N 3.07Å; C544-S547 PolarHBondContact O-N 3.41Å; S547-L549 VanDerWaalsContact C-N 3.31Å; S547-L549 PolarHBondContact O-N 2.95Å; S547-A550 WeakPolarHBondContact O-CA 3.38Å; S547-A550 WeakPolarHBondContact O-CB 3.39Å; S547-A550 PolarHBondContact O-N 2.87Å; S547-T551 PolarHBondContact O-N 3.19Å; S547-T551 PolarHBondContact O-OG1 3.44Å |
| 548 | V | 90 | Very high | 81.9 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.8 | -42.5 | 177.7 | 167.2 | 0 | 0 | 0 | 0 | 111.8 | L473 C544 V545 A550 T551 V552 V576 L580 | L473-V548 HydrophobicContact CD1-CB 4.46Å; L473-V548 HydrophobicContact CD1-CG1 4.09Å; L473-V548 HydrophobicContact CD1-CG2 4.22Å; L473-V548 HydrophobicContact CG-CG2 4.42Å; C544-V548 WeakPolarHBondContact O-CG2 3.4Å; C544-V548 PolarHBondContact O-N 3Å; V545-V548 PolarHBondContact O-N 2.79Å; V548-A550 VanDerWaalsContact C-N 3.29Å; V548-A550 PolarHBondContact O-N 3.3Å; V548-T551 PolarHBondContact O-N 3.48Å; V548-V552 HydrophobicContact CG1-CG2 4.41Å; V548-V552 VanDerWaalsContact O-CG2 3.29Å; V548-V552 WeakPolarHBondContact O-CG2 3.36Å; V548-V552 PolarHBondContact O-N 2.9Å; V548-V576 HydrophobicContact CG1-CG1 4.01Å; V548-V576 HydrophobicContact CG1-CG2 4.17Å; V548-L580 HydrophobicContact CB-CD1 3.93Å; V548-L580 HydrophobicContact CB-CG 4.43Å; V548-L580 HydrophobicContact CG1-CD1 3.65Å; V548-L580 HydrophobicContact CG1-CG 4.29Å; V548-L580 HydrophobicContact CG2-CD1 4.15Å; V548-L580 HydrophobicContact CG2-CD2 4.09Å; V548-L580 HydrophobicContact CG2-CG 4.09Å |
| 549 | L | 91.3 | Very high | 83.7 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -31 | 176.6 | -71.5 | 172.3 | 0 | 0 | 0 | 112.9 | V545 T546 S547 G553 Q605 L606 Q609 | V545-L549 HydrophobicContact CG1-CD1 3.88Å; V545-L549 HydrophobicContact CG1-CG 4.35Å; V545-L549 WeakPolarHBondContact O-CB 3.33Å; V545-L549 VanDerWaalsContact O-CG 3.24Å; V545-L549 WeakPolarHBondContact O-CG 3.48Å; V545-L549 PolarHBondContact O-N 2.9Å; T546-L549 PolarHBondContact O-N 3.44Å; S547-L549 VanDerWaalsContact C-N 3.31Å; S547-L549 PolarHBondContact O-N 2.95Å; L549-G553 PolarHBondContact O-N 2.8Å; L549-Q605 HydrophobicContact CD1-CB 3.92Å; L549-Q605 HydrophobicContact CD2-CB 4.19Å; L549-L606 HydrophobicContact CD2-CD2 3.79Å; L549-L606 HydrophobicContact CD2-CG 4.21Å; L549-Q609 HydrophobicContact CD2-CB 4.42Å; L549-Q609 PolarHBondContact O-NE2 3.21Å |
| 550 | A | 90.7 | Very high | 84.8 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.2 | -44.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G480 C483 Q484 T546 S547 V548 G553 L554 | G480-A550 WeakPolarHBondContact O-CB 3.34Å; C483-A550 HydrophobicContact CB-CB 4.22Å; Q484-A550 HydrophobicContact CG-CB 3.78Å; T546-A550 PolarHBondContact O-N 3.16Å; T546-A550 VanDerWaalsContact O-N 3.08Å; S547-A550 WeakPolarHBondContact O-CA 3.38Å; S547-A550 WeakPolarHBondContact O-CB 3.39Å; S547-A550 PolarHBondContact O-N 2.87Å; V548-A550 VanDerWaalsContact C-N 3.29Å; V548-A550 PolarHBondContact O-N 3.3Å; A550-G553 WeakPolarHBondContact O-CA 3.29Å; A550-G553 PolarHBondContact O-N 3.37Å; A550-L554 PolarHBondContact O-N 2.99Å |
| 551 | T | 89.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 175.4 | -49.1 | 0 | 0 | 0 | 0 | 111.7 | I471 L473 C483 L524 S547 V548 G553 L554 V555 | I471-T551 HydrophobicContact CG2-CG2 4.13Å; L473-T551 HydrophobicContact CD1-CG2 4.05Å; C483-T551 PolarHBondContact SG-OG1 2.91Å; L524-T551 HydrophobicContact CD1-CG2 4.28Å; L524-T551 HydrophobicContact CD2-CG2 3.6Å; S547-T551 PolarHBondContact O-N 3.19Å; S547-T551 PolarHBondContact O-OG1 3.44Å; V548-T551 PolarHBondContact O-N 3.48Å; T551-G553 VanDerWaalsContact C-N 3.32Å; T551-G553 PolarHBondContact O-N 2.79Å; T551-L554 WeakPolarHBondContact O-CB 3.34Å; T551-L554 PolarHBondContact O-N 3.35Å; T551-V555 WeakPolarHBondContact O-CG2 3.22Å; T551-V555 PolarHBondContact O-N 3.25Å |
| 552 | V | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | V548 L554 V555 F556 L572 V576 L606 Q609 | V548-V552 HydrophobicContact CG1-CG2 4.41Å; V548-V552 VanDerWaalsContact O-CG2 3.29Å; V548-V552 WeakPolarHBondContact O-CG2 3.36Å; V548-V552 PolarHBondContact O-N 2.9Å; V552-L554 VanDerWaalsContact C-N 3.33Å; V552-L554 PolarHBondContact O-N 2.82Å; V552-V555 PolarHBondContact O-N 2.95Å; V552-F556 HydrophobicContact CG1-CD2 3.89Å; V552-F556 HydrophobicContact CG1-CE1 4.24Å; V552-F556 HydrophobicContact CG1-CE2 3.31Å; V552-F556 HydrophobicContact CG1-CZ 3.52Å; V552-F556 WeakPolarHBondContact O-CG 3.44Å; V552-F556 PolarHBondContact O-N 3.28Å; V552-L572 HydrophobicContact CG1-CD2 4.35Å; V552-L572 HydrophobicContact CG2-CD1 4.22Å; V552-V576 HydrophobicContact CG2-CG2 3.84Å; V552-L606 HydrophobicContact CG1-CD2 4.16Å; V552-L606 HydrophobicContact CG2-CD2 4.08Å; V552-Q609 HydrophobicContact CG1-CG 4.48Å |
| 553 | G | 89.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L549 A550 T551 F556 Q557 | L549-G553 PolarHBondContact O-N 2.8Å; A550-G553 WeakPolarHBondContact O-CA 3.29Å; A550-G553 PolarHBondContact O-N 3.37Å; T551-G553 VanDerWaalsContact C-N 3.32Å; T551-G553 PolarHBondContact O-N 2.79Å; G553-F556 PolarHBondContact O-N 3.41Å; G553-Q557 WeakPolarHBondContact O-CB 3.47Å; G553-Q557 PolarHBondContact O-N 3.37Å |
| 554 | L | 89.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.6 | 179.7 | 63.9 | 0 | 0 | 0 | 111.4 | I471 C483 L486 C487 A550 T551 V552 F556 Q557 L558 | I471-L554 HydrophobicContact CD1-CD2 3.81Å; C483-L554 HydrophobicContact CB-CB 4.31Å; C483-L554 HydrophobicContact CB-CD2 4.21Å; L486-L554 HydrophobicContact CB-CD1 3.87Å; L486-L554 HydrophobicContact CB-CD2 4.09Å; L486-L554 HydrophobicContact CD1-CD2 3.95Å; C487-L554 WeakPolarHBondContact SG-CA 3.3Å; A550-L554 PolarHBondContact O-N 2.99Å; T551-L554 WeakPolarHBondContact O-CB 3.34Å; T551-L554 PolarHBondContact O-N 3.35Å; V552-L554 VanDerWaalsContact C-N 3.33Å; V552-L554 PolarHBondContact O-N 2.82Å; L554-F556 VanDerWaalsContact C-N 3.27Å; L554-F556 PolarHBondContact O-N 2.97Å; L554-Q557 PolarHBondContact O-N 2.8Å; L554-L558 HydrophobicContact CD1-CD1 4.09Å; L554-L558 HydrophobicContact CD1-CD2 4.48Å; L554-L558 HydrophobicContact CD1-CG 4.1Å; L554-L558 HydrophobicContact CG-CD1 3.98Å; L554-L558 HydrophobicContact CG-CG 4.38Å; L554-L558 VanDerWaalsContact O-CG 3.25Å; L554-L558 WeakPolarHBondContact O-CG 3.24Å; L554-L558 PolarHBondContact O-N 2.79Å |
| 555 | V | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.4 | -48.5 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | V520 L524 T551 V552 L558 T559 | V520-V555 HydrophobicContact CB-CG2 4.5Å; V520-V555 HydrophobicContact CG1-CG2 3.69Å; L524-V555 HydrophobicContact CD1-CG2 3.64Å; T551-V555 WeakPolarHBondContact O-CG2 3.22Å; T551-V555 PolarHBondContact O-N 3.25Å; V552-V555 PolarHBondContact O-N 2.95Å; V555-L558 PolarHBondContact O-N 3.24Å; V555-T559 WeakPolarHBondContact O-CG2 3.36Å; V555-T559 PolarHBondContact O-N 3.47Å |
| 556 | F | 89.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | -179.9 | -61.9 | -27.5 | 0 | 0 | 0 | 112.9 | V552 G553 L554 L558 T559 L564 L572 Q609 G610 Y613 Q615 F618 | V552-F556 HydrophobicContact CG1-CD2 3.89Å; V552-F556 HydrophobicContact CG1-CE1 4.24Å; V552-F556 HydrophobicContact CG1-CE2 3.31Å; V552-F556 HydrophobicContact CG1-CZ 3.52Å; V552-F556 WeakPolarHBondContact O-CG 3.44Å; V552-F556 PolarHBondContact O-N 3.28Å; G553-F556 PolarHBondContact O-N 3.41Å; L554-F556 VanDerWaalsContact C-N 3.27Å; L554-F556 PolarHBondContact O-N 2.97Å; F556-L558 VanDerWaalsContact C-N 3.29Å; F556-L558 PolarHBondContact O-N 3.06Å; F556-T559 WeakPolarHBondContact O-CB 3.28Å; F556-T559 PolarHBondContact O-N 3.1Å; F556-T559 VanDerWaalsContact O-N 3.17Å; F556-T559 PolarHBondContact O-OG1 3.2Å; F556-L564 HydrophobicContact CD1-CD1 3.96Å; F556-L564 HydrophobicContact CE1-CD1 3.6Å; F556-L572 HydrophobicContact CD1-CD2 4.48Å; F556-L572 HydrophobicContact CE1-CD2 3.45Å; F556-L572 VanDerWaalsContact CE1-CD2 3.45Å; F556-L572 HydrophobicContact CZ-CD2 3.74Å; F556-Q609 HydrophobicContact CD2-CG 4.33Å; F556-Q609 HydrophobicContact CE2-CB 4.49Å; F556-Q609 HydrophobicContact CE2-CG 4.42Å; F556-G610 VanDerWaalsContact CE2-CA 3.5Å; F556-Y613 VanDerWaalsContact CB-CB 3.43Å; F556-Y613 HydrophobicContact CB-CD2 4.05Å; F556-Y613 HydrophobicContact CB-CG 3.81Å; F556-Y613 HydrophobicContact CD2-CD2 4.26Å; F556-Q615 HydrophobicContact CB-CG 4.12Å; F556-Q615 HydrophobicContact CD1-CG 3.68Å; F556-Q615 HydrophobicContact CD2-CG 4.42Å; F556-Q615 HydrophobicContact CE1-CG 4.13Å; F556-Q615 HydrophobicContact CG-CG 3.85Å; F556-F618 HydrophobicContact CE2-CD1 4.48Å; F556-F618 HydrophobicContact CE2-CE1 4.26Å; F556-F618 AromaticContact CZ-CD1 3.84Å; F556-F618 HydrophobicContact CZ-CD1 3.84Å; F556-F618 AromaticContact CZ-CE1 3.64Å; F556-F618 HydrophobicContact CZ-CE1 3.64Å; F556-F618 HydrophobicContact CZ-CZ 4.22Å |
| 557 | Q | 85.1 | Confident | 86.7 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 15% | 0.145 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.7 | -168.8 | 170.8 | -14.3 | 0 | 0 | 112.1 | C487 H490 G553 L554 T559 G560 Y613 | C487-Q557 VanDerWaalsContact CA-OE1 3.3Å; C487-Q557 PolarHBondContact O-NE2 3.47Å; C487-Q557 PolarHBondContact O-OE1 3.06Å; C487-Q557 PolarHBondContact SG-OE1 2.85Å; C487-Q557 VanDerWaalsContact SG-OE1 3.33Å; H490-Q557 PolarHBondContact ND1-NE2 2.95Å; G553-Q557 WeakPolarHBondContact O-CB 3.47Å; G553-Q557 PolarHBondContact O-N 3.37Å; L554-Q557 PolarHBondContact O-N 2.8Å; Q557-T559 PolarHBondContact O-N 3.35Å; Q557-G560 PolarHBondContact O-N 2.77Å; Q557-G560 VanDerWaalsContact O-N 3.12Å; Q557-Y613 HydrophobicContact CB-CD1 3.83Å; Q557-Y613 HydrophobicContact CB-CE1 3.63Å; Q557-Y613 HydrophobicContact CG-CD1 4.31Å; Q557-Y613 HydrophobicContact CG-CE1 4.01Å |
| 558 | L | 84.7 | Confident | 86.8 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.2 | -15.5 | 178.8 | -66.4 | 174.9 | 0 | 0 | 0 | 113.9 | H490 F498 L515 V520 L554 V555 F556 G560 | H490-L558 VanDerWaalsContact CD2-CD2 3.42Å; H490-L558 WeakPolarHBondContact CD2-CD2 3.44Å; F498-L558 HydrophobicContact CZ-CD2 4.43Å; L515-L558 HydrophobicContact CD2-CD1 4.35Å; L515-L558 HydrophobicContact CD2-CD2 3.44Å; L515-L558 VanDerWaalsContact CD2-CD2 3.44Å; L515-L558 HydrophobicContact CG-CD1 4.33Å; L515-L558 HydrophobicContact CG-CD2 4.16Å; V520-L558 HydrophobicContact CB-CD1 4.5Å; V520-L558 HydrophobicContact CG2-CD1 3.73Å; L554-L558 HydrophobicContact CD1-CD1 4.09Å; L554-L558 HydrophobicContact CD1-CD2 4.48Å; L554-L558 HydrophobicContact CD1-CG 4.1Å; L554-L558 HydrophobicContact CG-CD1 3.98Å; L554-L558 HydrophobicContact CG-CG 4.38Å; L554-L558 VanDerWaalsContact O-CG 3.25Å; L554-L558 WeakPolarHBondContact O-CG 3.24Å; L554-L558 PolarHBondContact O-N 2.79Å; V555-L558 PolarHBondContact O-N 3.24Å; F556-L558 VanDerWaalsContact C-N 3.29Å; F556-L558 PolarHBondContact O-N 3.06Å; L558-G560 PolarHBondContact O-N 3.22Å |
| 559 | T | 83 | Confident | 86.9 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -13.8 | 172.3 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | Y517 V555 F556 Q557 G561 S562 L564 Q615 | Y517-T559 HydrophobicContact CD2-CG2 4.24Å; Y517-T559 HydrophobicContact CG-CG2 4.13Å; V555-T559 WeakPolarHBondContact O-CG2 3.36Å; V555-T559 PolarHBondContact O-N 3.47Å; F556-T559 WeakPolarHBondContact O-CB 3.28Å; F556-T559 PolarHBondContact O-N 3.1Å; F556-T559 VanDerWaalsContact O-N 3.17Å; F556-T559 PolarHBondContact O-OG1 3.2Å; Q557-T559 PolarHBondContact O-N 3.35Å; T559-G561 PolarHBondContact O-N 2.85Å; T559-S562 VanDerWaalsContact CB-O 3.25Å; T559-S562 WeakPolarHBondContact CB-O 3.4Å; T559-S562 PolarHBondContact O-N 2.82Å; T559-S562 PolarHBondContact O-OG 2.8Å; T559-S562 PolarHBondContact OG1-O 2.96Å; T559-L564 HydrophobicContact CG2-CD2 3.75Å; T559-L564 HydrophobicContact CG2-CG 4.34Å; T559-Q615 PolarHBondContact OG1-NE2 2.93Å |
| 560 | G | 74.7 | Confident | 86.7 | Confident | 72 Ų | 72 | 37.9 Ų | 37.9 | 74% | 0.742 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 19.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q557 L558 | Q557-G560 PolarHBondContact O-N 2.77Å; Q557-G560 VanDerWaalsContact O-N 3.12Å; L558-G560 PolarHBondContact O-N 3.22Å |
| 561 | G | 74.7 | Confident | 86.6 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T559 | T559-G561 PolarHBondContact O-N 2.85Š|
| 562 | S | 81.4 | Confident | 86.6 | Confident | 52 Ų | 52 | 40 Ų | 40 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -74.2 | 129.8 | 169.7 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | T559 Q615 | T559-S562 VanDerWaalsContact CB-O 3.25Å; T559-S562 WeakPolarHBondContact CB-O 3.4Å; T559-S562 PolarHBondContact O-N 2.82Å; T559-S562 PolarHBondContact O-OG 2.8Å; T559-S562 PolarHBondContact OG1-O 2.96Å; S562-Q615 PolarHBondContact O-NE2 2.7Å |
| 563 | P | 85.3 | Confident | 86.6 | Confident | 35 Ų | 35 | 42 Ų | 42 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 141.5 | -179.4 | 28.4 | -33.4 | 0 | 0 | 0 | 109.9 | Q615 | P563-Q615 VanDerWaalsContact CA-OE1 3.27Š|
| 564 | L | 87.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 139.2 | 172.9 | -65.9 | 176.2 | 0 | 0 | 0 | 110.4 | Y517 F556 T559 E568 Q569 L572 | Y517-L564 HydrophobicContact CD2-CD2 4.2Å; Y517-L564 HydrophobicContact CE2-CD2 4.25Å; F556-L564 HydrophobicContact CD1-CD1 3.96Å; F556-L564 HydrophobicContact CE1-CD1 3.6Å; T559-L564 HydrophobicContact CG2-CD2 3.75Å; T559-L564 HydrophobicContact CG2-CG 4.34Å; L564-E568 HydrophobicContact CB-CB 4.13Å; L564-E568 HydrophobicContact CD2-CB 4.23Å; L564-Q569 HydrophobicContact CB-CG 3.78Å; L564-Q569 PolarHBondContact O-NE2 3.36Å; L564-L572 HydrophobicContact CD1-CD2 4.07Å |
| 565 | T | 88.7 | Confident | 86.3 | Confident | 77 Ų | 77 | 46 Ų | 46 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 159.2 | 171.2 | 64.1 | 0 | 0 | 0 | 0 | 111 | R567 E568 Q569 | T565-R567 PolarHBondContact O-N 3.34Å; T565-E568 WeakPolarHBondContact CB-OE2 3.14Å; T565-E568 WeakPolarHBondContact CG2-OE2 3.29Å; T565-E568 PolarHBondContact N-OE2 2.75Å; T565-E568 PolarHBondContact O-N 3.25Å; T565-E568 WeakPolarHBondContact OG1-CB 3.47Å; T565-E568 WeakPolarHBondContact OG1-CG 3.36Å; T565-E568 PolarHBondContact OG1-N 3.24Å; T565-E568 PolarHBondContact OG1-OE2 2.85Å; T565-Q569 WeakPolarHBondContact O-CG 3.41Å; T565-Q569 PolarHBondContact O-N 3.23Å |
| 566 | Q | 87.6 | Confident | 86.2 | Confident | 133 Ų | 133 | 46 Ų | 46 | 62% | 0.621 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.6 | -32.4 | 179.3 | -174.8 | 151.8 | -7.1 | 0 | 0 | 113.1 | T570 | Q566-T570 WeakPolarHBondContact O-CB 2.91Å; Q566-T570 PolarHBondContact O-N 3.03Å; Q566-T570 VanDerWaalsContact O-N 3.09Å; Q566-T570 PolarHBondContact O-OG1 3.06Å |
| 567 | R | 87.4 | Confident | 86.1 | Confident | 200 Ų | 200 | 46.3 Ų | 46.3 | 76% | 0.755 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.8 | -48.6 | 173.5 | -175.9 | 177.4 | 177.9 | 170.4 | -0.6 | 111.1 | T565 T570 I571 | T565-R567 PolarHBondContact O-N 3.34Å; R567-T570 WeakPolarHBondContact O-CB 3.27Å; R567-T570 PolarHBondContact O-N 3.08Å; R567-I571 HydrophobicContact CG-CD1 4.03Å; R567-I571 WeakPolarHBondContact O-CG1 3.33Å; R567-I571 PolarHBondContact O-N 3.24Å |
| 568 | E | 89.8 | Confident | 86 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 16% | 0.159 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 179.3 | -69.1 | 163 | 151.2 | 0 | 0 | 112.2 | Y517 L521 L564 T565 T570 I571 L572 | Y517-E568 WeakPolarHBondContact CE2-OE1 3.45Å; L521-E568 HydrophobicContact CD2-CB 3.71Å; L521-E568 HydrophobicContact CD2-CG 3.72Å; L564-E568 HydrophobicContact CB-CB 4.13Å; L564-E568 HydrophobicContact CD2-CB 4.23Å; T565-E568 WeakPolarHBondContact CB-OE2 3.14Å; T565-E568 WeakPolarHBondContact CG2-OE2 3.29Å; T565-E568 PolarHBondContact N-OE2 2.75Å; T565-E568 PolarHBondContact O-N 3.25Å; T565-E568 WeakPolarHBondContact OG1-CB 3.47Å; T565-E568 WeakPolarHBondContact OG1-CG 3.36Å; T565-E568 PolarHBondContact OG1-N 3.24Å; T565-E568 PolarHBondContact OG1-OE2 2.85Å; E568-T570 VanDerWaalsContact C-N 3.27Å; E568-T570 PolarHBondContact O-N 3.4Å; E568-I571 PolarHBondContact O-N 2.99Å; E568-L572 WeakPolarHBondContact O-CB 3.45Å; E568-L572 PolarHBondContact O-N 2.91Å |
| 569 | Q | 91.7 | Very high | 85.9 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 173 | -68.5 | 175.8 | 18.5 | 0 | 0 | 111.2 | L564 T565 M573 F618 | L564-Q569 HydrophobicContact CB-CG 3.78Å; L564-Q569 PolarHBondContact O-NE2 3.36Å; T565-Q569 WeakPolarHBondContact O-CG 3.41Å; T565-Q569 PolarHBondContact O-N 3.23Å; Q569-M573 WeakPolarHBondContact O-CB 3.42Å; Q569-M573 VanDerWaalsContact O-CG 3.31Å; Q569-M573 WeakPolarHBondContact O-CG 3.23Å; Q569-M573 PolarHBondContact O-N 3.19Å; Q569-F618 HydrophobicContact CB-CD2 4.17Å; Q569-F618 HydrophobicContact CG-CB 4.42Å; Q569-F618 HydrophobicContact CG-CD2 3.98Å |
| 570 | T | 88.4 | Confident | 86.1 | Confident | 89 Ų | 89 | 47.9 Ų | 47.9 | 55% | 0.546 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 179.1 | -55 | 0 | 0 | 0 | 0 | 111.5 | Q566 R567 E568 M573 H574 | Q566-T570 WeakPolarHBondContact O-CB 2.91Å; Q566-T570 PolarHBondContact O-N 3.03Å; Q566-T570 VanDerWaalsContact O-N 3.09Å; Q566-T570 PolarHBondContact O-OG1 3.06Å; R567-T570 WeakPolarHBondContact O-CB 3.27Å; R567-T570 PolarHBondContact O-N 3.08Å; E568-T570 VanDerWaalsContact C-N 3.27Å; E568-T570 PolarHBondContact O-N 3.4Å; T570-M573 PolarHBondContact O-N 3.47Å; T570-H574 VanDerWaalsContact O-CB 3.28Å; T570-H574 WeakPolarHBondContact O-CB 3.47Å; T570-H574 PolarHBondContact O-N 3.23Å |
| 571 | I | 88.1 | Confident | 86.5 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.7 | -69.1 | 165.5 | 0 | 0 | 0 | 110.8 | L521 T525 R567 E568 H574 S575 | L521-I571 HydrophobicContact CD1-CG2 4.21Å; L521-I571 HydrophobicContact CG-CG2 4.31Å; T525-I571 HydrophobicContact CG2-CG2 4.44Å; T525-I571 WeakPolarHBondContact OG1-CG2 3.43Å; R567-I571 HydrophobicContact CG-CD1 4.03Å; R567-I571 WeakPolarHBondContact O-CG1 3.33Å; R567-I571 PolarHBondContact O-N 3.24Å; E568-I571 PolarHBondContact O-N 2.99Å; I571-H574 PolarHBondContact O-N 2.96Å; I571-S575 WeakPolarHBondContact O-CB 3.28Å; I571-S575 PolarHBondContact O-N 3.15Å; I571-S575 PolarHBondContact O-OG 2.85Å |
| 572 | L | 89.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 178 | -176.5 | 64.7 | 0 | 0 | 0 | 110.9 | L521 L524 V552 F556 L564 E568 H574 S575 V576 | L521-L572 HydrophobicContact CD1-CB 4.11Å; L521-L572 HydrophobicContact CD1-CD1 4.14Å; L524-L572 HydrophobicContact CD1-CD1 4.4Å; V552-L572 HydrophobicContact CG1-CD2 4.35Å; V552-L572 HydrophobicContact CG2-CD1 4.22Å; F556-L572 HydrophobicContact CD1-CD2 4.48Å; F556-L572 HydrophobicContact CE1-CD2 3.45Å; F556-L572 VanDerWaalsContact CE1-CD2 3.45Å; F556-L572 HydrophobicContact CZ-CD2 3.74Å; L564-L572 HydrophobicContact CD1-CD2 4.07Å; E568-L572 WeakPolarHBondContact O-CB 3.45Å; E568-L572 PolarHBondContact O-N 2.91Å; L572-H574 VanDerWaalsContact C-N 3.34Å; L572-H574 PolarHBondContact O-N 2.71Å; L572-S575 PolarHBondContact O-N 3.36Å; L572-V576 WeakPolarHBondContact O-CG2 3.41Å; L572-V576 PolarHBondContact O-N 3.34Å |
| 573 | M | 90.1 | Very high | 86.4 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 178.5 | -75.1 | -59.3 | -61.4 | 0 | 0 | 112.6 | Q569 T570 V576 A577 L598 L606 F618 L622 | Q569-M573 WeakPolarHBondContact O-CB 3.42Å; Q569-M573 VanDerWaalsContact O-CG 3.31Å; Q569-M573 WeakPolarHBondContact O-CG 3.23Å; Q569-M573 PolarHBondContact O-N 3.19Å; T570-M573 PolarHBondContact O-N 3.47Å; M573-V576 PolarHBondContact O-N 3.47Å; M573-A577 WeakPolarHBondContact O-CB 3.46Å; M573-A577 PolarHBondContact O-N 3.39Å; M573-L598 HydrophobicContact CE-CD1 3.84Å; M573-L606 HydrophobicContact CE-CD1 4.26Å; M573-L606 HydrophobicContact SD-CD1 4.09Å; M573-F618 HydrophobicContact CG-CE2 3.76Å; M573-F618 HydrophobicContact CG-CZ 4.31Å; M573-F618 HydrophobicContact SD-CE2 3.7Å; M573-F618 HydrophobicContact SD-CZ 3.63Å; M573-L622 HydrophobicContact CE-CD2 4.1Å; M573-L622 HydrophobicContact SD-CD1 4.34Å; M573-L622 HydrophobicContact SD-CD2 4.38Å |
| 574 | H | 86.6 | Confident | 85.9 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.2 | -174 | 74.5 | 0 | 0 | 0 | 111.4 | T570 I571 L572 A577 K578 S594 | T570-H574 VanDerWaalsContact O-CB 3.28Å; T570-H574 WeakPolarHBondContact O-CB 3.47Å; T570-H574 PolarHBondContact O-N 3.23Å; I571-H574 PolarHBondContact O-N 2.96Å; L572-H574 VanDerWaalsContact C-N 3.34Å; L572-H574 PolarHBondContact O-N 2.71Å; H574-A577 PolarHBondContact O-N 2.95Å; H574-K578 WeakPolarHBondContact O-CB 3.41Å; H574-K578 PolarHBondContact O-N 2.85Å; H574-S594 VanDerWaalsContact CE1-CB 3.5Å; H574-S594 WeakPolarHBondContact CE1-CB 3.38Å; H574-S594 WeakPolarHBondContact ND1-CB 3.32Å |
| 575 | S | 86.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 178.5 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | L473 I571 L572 K578 C579 | L473-S575 VanDerWaalsContact CD2-C 3.41Å; L473-S575 VanDerWaalsContact CD2-O 3.3Å; L473-S575 WeakPolarHBondContact CD2-O 3.36Å; I571-S575 WeakPolarHBondContact O-CB 3.28Å; I571-S575 PolarHBondContact O-N 3.15Å; I571-S575 PolarHBondContact O-OG 2.85Å; L572-S575 PolarHBondContact O-N 3.36Å; S575-K578 PolarHBondContact O-N 3.42Å; S575-C579 PolarHBondContact O-N 3.31Å; S575-C579 VanDerWaalsContact O-N 3.15Å |
| 576 | V | 89.5 | Confident | 83 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.9 | 177 | 0 | 0 | 0 | 0 | 111.9 | L473 V548 V552 L572 M573 K578 C579 L580 L598 L606 | L473-V576 HydrophobicContact CD2-CG2 4.23Å; V548-V576 HydrophobicContact CG1-CG1 4.01Å; V548-V576 HydrophobicContact CG1-CG2 4.17Å; V552-V576 HydrophobicContact CG2-CG2 3.84Å; L572-V576 WeakPolarHBondContact O-CG2 3.41Å; L572-V576 PolarHBondContact O-N 3.34Å; M573-V576 PolarHBondContact O-N 3.47Å; V576-K578 VanDerWaalsContact C-N 3.34Å; V576-K578 PolarHBondContact O-N 3.27Å; V576-C579 PolarHBondContact O-N 3.36Å; V576-L580 HydrophobicContact CG1-CD1 4.08Å; V576-L580 PolarHBondContact O-N 2.67Å; V576-L598 HydrophobicContact CG1-CD1 4.22Å; V576-L598 HydrophobicContact CG1-CD2 4.44Å; V576-L606 HydrophobicContact CG1-CD1 3.83Å; V576-L606 HydrophobicContact CG1-CD2 4.27Å |
| 577 | A | 87.6 | Confident | 80.9 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M573 H574 C579 G581 Y596 L598 | M573-A577 WeakPolarHBondContact O-CB 3.46Å; M573-A577 PolarHBondContact O-N 3.39Å; H574-A577 PolarHBondContact O-N 2.95Å; A577-C579 VanDerWaalsContact C-N 3.31Å; A577-C579 PolarHBondContact O-N 3.37Å; A577-G581 WeakPolarHBondContact O-CA 3.27Å; A577-G581 PolarHBondContact O-N 2.88Å; A577-Y596 WeakPolarHBondContact O-CB 3.43Å; A577-L598 HydrophobicContact CB-CD1 3.95Å; A577-L598 HydrophobicContact CB-CD2 4.48Å; A577-L598 HydrophobicContact CB-CG 3.89Å |
| 578 | K | 82.3 | Confident | 78.9 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.8 | -30.4 | 175.5 | -170.2 | 167.7 | 168.9 | -160.3 | 0 | 112.4 | I528 H529 H574 S575 V576 Y596 | I528-K578 HydrophobicContact CB-CD 4.14Å; I528-K578 HydrophobicContact CD1-CD 4.36Å; I528-K578 HydrophobicContact CG2-CB 4.43Å; I528-K578 HydrophobicContact CG2-CD 3.4Å; I528-K578 VanDerWaalsContact CG2-CD 3.4Å; I528-K578 HydrophobicContact CG2-CG 3.75Å; I528-K578 PolarHBondContact O-NZ 2.91Å; H529-K578 WeakPolarHBondContact O-CE 3.38Å; H529-K578 PolarHBondContact O-NZ 3.48Å; H529-K578 VanDerWaalsContact O-NZ 3.07Å; H574-K578 WeakPolarHBondContact O-CB 3.41Å; H574-K578 PolarHBondContact O-N 2.85Å; S575-K578 PolarHBondContact O-N 3.42Å; V576-K578 VanDerWaalsContact C-N 3.34Å; V576-K578 PolarHBondContact O-N 3.27Å; K578-Y596 HydrophobicContact CB-CD2 4.46Å; K578-Y596 HydrophobicContact CB-CE2 4.39Å; K578-Y596 HydrophobicContact CD-CE2 4.5Å; K578-Y596 HydrophobicContact CG-CE1 4.49Å; K578-Y596 HydrophobicContact CG-CE2 4.02Å |
| 579 | C | 83.7 | Confident | 76.7 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -82.1 | -43.7 | 178.4 | -175.9 | 0 | 0 | 0 | 0 | 113.8 | L473 S575 V576 A577 | L473-C579 HydrophobicContact CD2-CB 3.93Å; L473-C579 HydrophobicContact CG-CB 4.17Å; S575-C579 PolarHBondContact O-N 3.31Å; S575-C579 VanDerWaalsContact O-N 3.15Å; V576-C579 PolarHBondContact O-N 3.36Å; A577-C579 VanDerWaalsContact C-N 3.31Å; A577-C579 PolarHBondContact O-N 3.37Å |
| 580 | L | 86.1 | Confident | 74.3 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -113.1 | -8.3 | -171.5 | -64.8 | -180 | 0 | 0 | 0 | 114.3 | C544 V545 V548 V576 L598 I602 | C544-L580 VanDerWaalsContact SG-CD2 3.5Å; V545-L580 HydrophobicContact CG2-CD1 4.18Å; V545-L580 HydrophobicContact CG2-CD2 4.03Å; V548-L580 HydrophobicContact CB-CD1 3.93Å; V548-L580 HydrophobicContact CB-CG 4.43Å; V548-L580 HydrophobicContact CG1-CD1 3.65Å; V548-L580 HydrophobicContact CG1-CG 4.29Å; V548-L580 HydrophobicContact CG2-CD1 4.15Å; V548-L580 HydrophobicContact CG2-CD2 4.09Å; V548-L580 HydrophobicContact CG2-CG 4.09Å; V576-L580 HydrophobicContact CG1-CD1 4.08Å; V576-L580 PolarHBondContact O-N 2.67Å; L580-L598 HydrophobicContact CB-CD2 3.78Å; L580-I602 HydrophobicContact CB-CD1 4.19Å; L580-I602 HydrophobicContact CD1-CD1 4.38Å; L580-I602 HydrophobicContact CD1-CG2 3.88Å |
| 581 | G | 83 | Confident | 72 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -88.7 | 154.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A577 R597 | A577-G581 WeakPolarHBondContact O-CA 3.27Å; A577-G581 PolarHBondContact O-N 2.88Å; G581-R597 CarbonylContact C-O 3.58Å; G581-R597 VanDerWaalsContact CA-O 3.25Å; G581-R597 WeakPolarHBondContact CA-O 3.39Å |
| 582 | E | 79.5 | Confident | 69.9 | Low | 149 Ų | 149 | 74.7 Ų | 74.7 | 70% | 0.696 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.3 | 172.5 | -67.1 | 173 | -177.4 | 0 | 0 | 109.6 | I584 Y596 R597 | E582-I584 PolarHBondContact O-N 3.29Å; E582-Y596 CarbonylContact O-C 3.44Å; E582-Y596 VanDerWaalsContact O-CA 3.32Å; E582-Y596 WeakPolarHBondContact O-CA 3.23Å; E582-R597 PolarHBondContact N-O 3.36Å; E582-R597 PolarHBondContact O-N 2.81Å |
| 583 | K | 74.3 | Confident | 68 | Low | 125 Ų | 125 | 78.8 Ų | 78.8 | 54% | 0.543 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125.2 | 172.8 | -77.2 | -178 | 178.9 | -179.9 | 0 | 109.4 | S585 G595 Y596 | K583-S585 PolarHBondContact O-N 2.97Å; K583-G595 WeakPolarHBondContact CA-O 3.43Å; K583-Y596 HydrophobicContact CB-CE1 4.47Å; K583-Y596 HydrophobicContact CD-CE1 4.1Å; K583-Y596 WeakPolarHBondContact CE-OH 3.44Å; K583-Y596 HydrophobicContact CG-CD1 3.77Å; K583-Y596 HydrophobicContact CG-CE1 3.26Å |
| 584 | I | 74.6 | Confident | 66.2 | Low | 90 Ų | 90 | 79.2 Ų | 79.2 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | trans | -78.4 | 104.1 | 172.9 | -55.1 | 171.3 | 0 | 0 | 0 | 106.8 | E582 S586 G595 R597 | E582-I584 PolarHBondContact O-N 3.29Å; I584-S586 PolarHBondContact O-N 3.21Å; I584-G595 PolarHBondContact N-O 3.1Å; I584-R597 HydrophobicContact CD1-CB 4.11Å; I584-R597 HydrophobicContact CG1-CB 4.03Å | ||
| 585 | S | 63.4 | Low | 65.4 | Low | 118 Ų | 118 | 77 Ų | 77 | 83% | 0.825 | 48% | 0.479 | S | S | * | . | trans | -63 | 103.2 | 171.3 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | K583 S587 | K583-S585 PolarHBondContact O-N 2.97Å; S585-S587 PolarHBondContact O-N 3.3Å | ||
| 586 | S | 53.1 | Low | 65.1 | Low | 105 Ų | 105 | 79 Ų | 79 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | trans | -80.9 | 100.9 | -177.1 | 57 | 0 | 0 | 0 | 0 | 111.5 | I584 | I584-S586 PolarHBondContact O-N 3.21Š| ||
| 587 | S | 43.4 | Very low | 64.7 | Low | 103 Ų | 103 | 86.7 Ų | 86.7 | 72% | 0.72 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -107 | 106.7 | 137.6 | 60.8 | 0 | 0 | 0 | 0 | 106.5 | S585 | S585-S587 PolarHBondContact O-N 3.3Š|
| 588 | N | 44.5 | Very low | 64.7 | Low | 149 Ų | 149 | 87.4 Ų | 87.4 | 80% | 0.797 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 78.6 | 88.2 | 176.5 | -49 | -22.2 | 0 | 0 | 0 | 116.4 | ||
| 589 | T | 44.3 | Very low | 65 | Low | 127 Ų | 127 | 88 Ų | 88 | 78% | 0.779 | 53% | 0.527 | S | S | * | . | 178.6 | 131.5 | 128.4 | 24.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 590 | S | 41.9 | Very low | 65.3 | Low | 95 Ų | 95 | 90.3 Ų | 90.3 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | trans | 20.6 | 115.3 | 157.6 | 54.5 | 0 | 0 | 0 | 0 | 121 | G592 | S590-G592 PolarHBondContact O-N 2.91Š| ||
| 591 | I | 39.5 | Very low | 65.6 | Low | 184 Ų | 184 | 96.1 Ų | 96.1 | 94% | 0.944 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.7 | 119.2 | 160.5 | -59.9 | 157.9 | 0 | 0 | 0 | 111.7 | ||
| 592 | G | 44.7 | Very low | 66 | Low | 80 Ų | 80 | 96.1 Ų | 96.1 | 83% | 0.825 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.2 | -12.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | S590 | S590-G592 PolarHBondContact O-N 2.91Š|
| 593 | S | 49 | Very low | 66.7 | Low | 90 Ų | 90 | 90 Ų | 90 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -94.9 | 129.2 | 173.2 | 72.6 | 0 | 0 | 0 | 0 | 110.4 | G595 | S593-G595 PolarHBondContact O-N 3.44Å; S593-G595 VanDerWaalsContact O-N 3.09Å |
| 594 | S | 53.3 | Low | 67.6 | Low | 52 Ų | 52 | 85.4 Ų | 85.4 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | trans | -50.1 | 119.6 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | H574 Y596 | H574-S594 VanDerWaalsContact CE1-CB 3.5Å; H574-S594 WeakPolarHBondContact CE1-CB 3.38Å; H574-S594 WeakPolarHBondContact ND1-CB 3.32Å; S594-Y596 PolarHBondContact O-N 3.24Å | ||
| 595 | G | 68.9 | Low | 68.5 | Low | 36 Ų | 36 | 82.3 Ų | 82.3 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -67.7 | 25.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K583 I584 S593 | K583-G595 WeakPolarHBondContact CA-O 3.43Å; I584-G595 PolarHBondContact N-O 3.1Å; S593-G595 PolarHBondContact O-N 3.44Å; S593-G595 VanDerWaalsContact O-N 3.09Å |
| 596 | Y | 79.6 | Confident | 69.9 | Low | 42 Ų | 42 | 76.8 Ų | 76.8 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.4 | 179.5 | -62.5 | -91.9 | 0 | 0 | 0 | 110.1 | A577 K578 E582 K583 S594 | A577-Y596 WeakPolarHBondContact O-CB 3.43Å; K578-Y596 HydrophobicContact CB-CD2 4.46Å; K578-Y596 HydrophobicContact CB-CE2 4.39Å; K578-Y596 HydrophobicContact CD-CE2 4.5Å; K578-Y596 HydrophobicContact CG-CE1 4.49Å; K578-Y596 HydrophobicContact CG-CE2 4.02Å; E582-Y596 CarbonylContact O-C 3.44Å; E582-Y596 VanDerWaalsContact O-CA 3.32Å; E582-Y596 WeakPolarHBondContact O-CA 3.23Å; K583-Y596 HydrophobicContact CB-CE1 4.47Å; K583-Y596 HydrophobicContact CD-CE1 4.1Å; K583-Y596 WeakPolarHBondContact CE-OH 3.44Å; K583-Y596 HydrophobicContact CG-CD1 3.77Å; K583-Y596 HydrophobicContact CG-CE1 3.26Å; S594-Y596 PolarHBondContact O-N 3.24Å |
| 597 | R | 81.9 | Confident | 71.9 | Confident | 163 Ų | 163 | 71.8 Ų | 71.8 | 62% | 0.615 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.2 | 176.2 | -172.5 | 176.6 | -179.3 | 167.8 | 0.2 | 109.9 | G581 E582 I584 | G581-R597 CarbonylContact C-O 3.58Å; G581-R597 VanDerWaalsContact CA-O 3.25Å; G581-R597 WeakPolarHBondContact CA-O 3.39Å; E582-R597 PolarHBondContact N-O 3.36Å; E582-R597 PolarHBondContact O-N 2.81Å; I584-R597 HydrophobicContact CD1-CB 4.11Å; I584-R597 HydrophobicContact CG1-CB 4.03Å |
| 598 | L | 87.5 | Confident | 74.3 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | trans | -83 | 144.2 | 171.2 | -75 | 171 | 0 | 0 | 0 | 110.9 | M573 V576 A577 L580 I602 V603 L606 | M573-L598 HydrophobicContact CE-CD1 3.84Å; V576-L598 HydrophobicContact CG1-CD1 4.22Å; V576-L598 HydrophobicContact CG1-CD2 4.44Å; A577-L598 HydrophobicContact CB-CD1 3.95Å; A577-L598 HydrophobicContact CB-CD2 4.48Å; A577-L598 HydrophobicContact CB-CG 3.89Å; L580-L598 HydrophobicContact CB-CD2 3.78Å; L598-I602 HydrophobicContact CD2-CG2 4.18Å; L598-V603 HydrophobicContact CB-CG2 3.84Å; L598-V603 HydrophobicContact CD1-CG2 4.45Å; L598-L606 HydrophobicContact CD1-CD1 4.31Å | ||
| 599 | S | 89.2 | Confident | 76.5 | Confident | 50 Ų | 50 | 63 Ų | 63 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | trans | -65.3 | 142.3 | 172.2 | 76.7 | 0 | 0 | 0 | 0 | 110.4 | W601 I602 V603 | S599-W601 PolarHBondContact O-N 3.48Å; S599-W601 VanDerWaalsContact O-N 3.1Å; S599-I602 PolarHBondContact O-N 2.87Å; S599-I602 VanDerWaalsContact O-N 3.11Å; S599-I602 WeakPolarHBondContact OG-CD1 3.43Å; S599-I602 VanDerWaalsContact OG-CG1 3.28Å; S599-I602 WeakPolarHBondContact OG-CG1 3.48Å; S599-I602 PolarHBondContact OG-N 2.9Å; S599-V603 PolarHBondContact O-N 2.82Å | ||
| 600 | P | 90.6 | Very high | 78.7 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.3 | -30.8 | 179.3 | -28.4 | 35.7 | 0 | 0 | 0 | 113.8 | V603 Y604 L626 L629 | P600-V603 PolarHBondContact O-N 3.5Å; P600-Y604 PolarHBondContact O-N 2.94Å; P600-L626 HydrophobicContact CB-CD2 3.69Å; P600-L626 WeakPolarHBondContact O-CD2 3.41Å; P600-L629 HydrophobicContact CG-CD1 4.49Å |
| 601 | W | 91.2 | Very high | 81.1 | Confident | 154 Ų | 154 | 52.4 Ų | 52.4 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69 | -41.7 | 178.4 | -179.2 | -116.1 | 0 | 0 | 0 | 113.1 | S599 V603 Y604 Q605 | S599-W601 PolarHBondContact O-N 3.48Å; S599-W601 VanDerWaalsContact O-N 3.1Å; W601-V603 VanDerWaalsContact C-N 3.31Å; W601-V603 PolarHBondContact O-N 3.48Å; W601-Y604 HydrophobicContact CE3-CD1 4.02Å; W601-Y604 HydrophobicContact CH2-CD1 4.21Å; W601-Y604 HydrophobicContact CH2-CE1 4.33Å; W601-Y604 AromaticContact CZ3-CD1 3.64Å; W601-Y604 HydrophobicContact CZ3-CD1 3.64Å; W601-Y604 AromaticContact CZ3-CE1 3.98Å; W601-Y604 HydrophobicContact CZ3-CE1 3.98Å; W601-Y604 HydrophobicContact CZ3-CG 4.43Å; W601-Y604 WeakPolarHBondContact O-CB 3.45Å; W601-Y604 PolarHBondContact O-N 3.43Å; W601-Q605 HydrophobicContact CZ2-CG 4.48Å; W601-Q605 VanDerWaalsContact NE1-NE2 3.11Å; W601-Q605 WeakPolarHBondContact O-CG 3.38Å; W601-Q605 PolarHBondContact O-N 3.35Å |
| 602 | I | 91.5 | Very high | 83.2 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.4 | -67.6 | 167.5 | 0 | 0 | 0 | 109.8 | V545 L580 L598 S599 Y604 Q605 L606 | V545-I602 HydrophobicContact CG2-CD1 4.11Å; V545-I602 HydrophobicContact CG2-CG1 4.25Å; L580-I602 HydrophobicContact CB-CD1 4.19Å; L580-I602 HydrophobicContact CD1-CD1 4.38Å; L580-I602 HydrophobicContact CD1-CG2 3.88Å; L598-I602 HydrophobicContact CD2-CG2 4.18Å; S599-I602 PolarHBondContact O-N 2.87Å; S599-I602 VanDerWaalsContact O-N 3.11Å; S599-I602 WeakPolarHBondContact OG-CD1 3.43Å; S599-I602 VanDerWaalsContact OG-CG1 3.28Å; S599-I602 WeakPolarHBondContact OG-CG1 3.48Å; S599-I602 PolarHBondContact OG-N 2.9Å; I602-Y604 VanDerWaalsContact C-N 3.29Å; I602-Y604 PolarHBondContact O-N 3.27Å; I602-Q605 PolarHBondContact O-N 3.34Å; I602-Q605 VanDerWaalsContact O-N 3.14Å; I602-L606 HydrophobicContact CG2-CD1 4.13Å; I602-L606 HydrophobicContact CG2-CG 4.45Å; I602-L606 WeakPolarHBondContact O-CG 3.38Å; I602-L606 PolarHBondContact O-N 3.37Å |
| 603 | V | 93.9 | Very high | 85.1 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L598 S599 P600 W601 Q605 L606 A607 L622 L626 | L598-V603 HydrophobicContact CB-CG2 3.84Å; L598-V603 HydrophobicContact CD1-CG2 4.45Å; S599-V603 PolarHBondContact O-N 2.82Å; P600-V603 PolarHBondContact O-N 3.5Å; W601-V603 VanDerWaalsContact C-N 3.31Å; W601-V603 PolarHBondContact O-N 3.48Å; V603-Q605 PolarHBondContact O-N 3.17Å; V603-L606 PolarHBondContact O-N 2.92Å; V603-A607 WeakPolarHBondContact O-CB 3.36Å; V603-A607 PolarHBondContact O-N 2.96Å; V603-L622 HydrophobicContact CG1-CB 4.01Å; V603-L622 HydrophobicContact CG1-CD1 4.15Å; V603-L622 HydrophobicContact CG1-CD2 3.89Å; V603-L622 HydrophobicContact CG1-CG 4.23Å; V603-L626 HydrophobicContact CB-CD1 4.24Å; V603-L626 HydrophobicContact CB-CD2 4.13Å; V603-L626 HydrophobicContact CB-CG 4.41Å; V603-L626 HydrophobicContact CG1-CD1 3.89Å; V603-L626 HydrophobicContact CG1-CD2 4.14Å; V603-L626 HydrophobicContact CG1-CG 3.94Å |
| 604 | Y | 94.3 | Very high | 87 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 11% | 0.114 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.2 | 177.4 | -96 | 0 | 0 | 0 | 112.2 | P600 W601 I602 A607 R608 Y623 L626 W638 L639 L642 | P600-Y604 PolarHBondContact O-N 2.94Å; W601-Y604 HydrophobicContact CE3-CD1 4.02Å; W601-Y604 HydrophobicContact CH2-CD1 4.21Å; W601-Y604 HydrophobicContact CH2-CE1 4.33Å; W601-Y604 AromaticContact CZ3-CD1 3.64Å; W601-Y604 HydrophobicContact CZ3-CD1 3.64Å; W601-Y604 AromaticContact CZ3-CE1 3.98Å; W601-Y604 HydrophobicContact CZ3-CE1 3.98Å; W601-Y604 HydrophobicContact CZ3-CG 4.43Å; W601-Y604 WeakPolarHBondContact O-CB 3.45Å; W601-Y604 PolarHBondContact O-N 3.43Å; I602-Y604 VanDerWaalsContact C-N 3.29Å; I602-Y604 PolarHBondContact O-N 3.27Å; Y604-A607 PolarHBondContact O-N 3.43Å; Y604-R608 WeakPolarHBondContact O-CB 3.28Å; Y604-R608 PolarHBondContact O-N 2.91Å; Y604-Y623 HydrophobicContact CD2-CD1 4.2Å; Y604-Y623 AromaticContact CD2-CE1 3.67Å; Y604-Y623 HydrophobicContact CD2-CE1 3.67Å; Y604-Y623 HydrophobicContact CE2-CD1 4.46Å; Y604-Y623 AromaticContact CE2-CE1 3.76Å; Y604-Y623 HydrophobicContact CE2-CE1 3.76Å; Y604-L626 HydrophobicContact CD2-CD1 4.45Å; Y604-W638 AromaticContact CE2-NE1 3.94Å; Y604-W638 PolarHBondContact OH-NE1 3.01Å; Y604-L639 HydrophobicContact CD2-CD2 3.81Å; Y604-L639 HydrophobicContact CE2-CD2 4.03Å; Y604-L642 HydrophobicContact CE2-CD1 3.81Å |
| 605 | Q | 93.3 | Very high | 88.8 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 176.8 | -69.6 | 177 | -28.1 | 0 | 0 | 112.4 | L549 W601 I602 V603 R608 Q609 | L549-Q605 HydrophobicContact CD1-CB 3.92Å; L549-Q605 HydrophobicContact CD2-CB 4.19Å; W601-Q605 HydrophobicContact CZ2-CG 4.48Å; W601-Q605 VanDerWaalsContact NE1-NE2 3.11Å; W601-Q605 WeakPolarHBondContact O-CG 3.38Å; W601-Q605 PolarHBondContact O-N 3.35Å; I602-Q605 PolarHBondContact O-N 3.34Å; I602-Q605 VanDerWaalsContact O-N 3.14Å; V603-Q605 PolarHBondContact O-N 3.17Å; Q605-R608 PolarHBondContact O-N 2.9Å; Q605-Q609 WeakPolarHBondContact O-CB 3.42Å; Q605-Q609 PolarHBondContact O-N 3.49Å |
| 606 | L | 93.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -45.4 | 173.6 | -71.6 | 166.6 | 0 | 0 | 0 | 111.6 | L549 V552 M573 V576 L598 I602 V603 R608 Q609 G610 F618 L622 | L549-L606 HydrophobicContact CD2-CD2 3.79Å; L549-L606 HydrophobicContact CD2-CG 4.21Å; V552-L606 HydrophobicContact CG1-CD2 4.16Å; V552-L606 HydrophobicContact CG2-CD2 4.08Å; M573-L606 HydrophobicContact CE-CD1 4.26Å; M573-L606 HydrophobicContact SD-CD1 4.09Å; V576-L606 HydrophobicContact CG1-CD1 3.83Å; V576-L606 HydrophobicContact CG1-CD2 4.27Å; L598-L606 HydrophobicContact CD1-CD1 4.31Å; I602-L606 HydrophobicContact CG2-CD1 4.13Å; I602-L606 HydrophobicContact CG2-CG 4.45Å; I602-L606 WeakPolarHBondContact O-CG 3.38Å; I602-L606 PolarHBondContact O-N 3.37Å; V603-L606 PolarHBondContact O-N 2.92Å; L606-R608 VanDerWaalsContact C-N 3.32Å; L606-R608 PolarHBondContact O-N 2.64Å; L606-Q609 WeakPolarHBondContact O-CB 3.48Å; L606-Q609 PolarHBondContact O-N 3.42Å; L606-Q609 VanDerWaalsContact O-N 3.16Å; L606-G610 PolarHBondContact O-N 3.4Å; L606-F618 HydrophobicContact CB-CE1 4.47Å; L606-L622 HydrophobicContact CB-CD1 4.14Å |
| 607 | A | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V603 Y604 Q609 G610 N611 A619 L622 Y623 | V603-A607 WeakPolarHBondContact O-CB 3.36Å; V603-A607 PolarHBondContact O-N 2.96Å; Y604-A607 PolarHBondContact O-N 3.43Å; A607-Q609 VanDerWaalsContact C-N 3.34Å; A607-Q609 PolarHBondContact O-N 2.81Å; A607-G610 PolarHBondContact O-N 2.87Å; A607-N611 PolarHBondContact O-N 3.3Å; A607-A619 HydrophobicContact CB-CB 4.34Å; A607-A619 VanDerWaalsContact O-CB 3.24Å; A607-A619 WeakPolarHBondContact O-CB 3.46Å; A607-L622 HydrophobicContact CB-CB 3.8Å; A607-L622 HydrophobicContact CB-CD1 4.01Å; A607-Y623 HydrophobicContact CB-CD1 3.91Å; A607-Y623 HydrophobicContact CB-CD2 4.34Å; A607-Y623 HydrophobicContact CB-CE1 3.45Å; A607-Y623 VanDerWaalsContact CB-CE1 3.45Å; A607-Y623 HydrophobicContact CB-CE2 3.94Å; A607-Y623 HydrophobicContact CB-CG 4.32Å; A607-Y623 VanDerWaalsContact CB-CZ 3.48Å |
| 608 | R | 93 | Very high | 91.2 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 18% | 0.177 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 173.6 | 172.3 | -173.6 | 159.4 | -165.3 | -6.8 | 111.6 | Y604 Q605 L606 G610 N611 R612 Y623 F927 | Y604-R608 WeakPolarHBondContact O-CB 3.28Å; Y604-R608 PolarHBondContact O-N 2.91Å; Q605-R608 PolarHBondContact O-N 2.9Å; L606-R608 VanDerWaalsContact C-N 3.32Å; L606-R608 PolarHBondContact O-N 2.64Å; R608-G610 VanDerWaalsContact C-N 3.3Å; R608-G610 PolarHBondContact O-N 2.83Å; R608-N611 PolarHBondContact O-N 2.99Å; R608-R612 PolarHBondContact O-N 2.94Å; R608-Y623 WeakPolarHBondContact CA-OH 3.33Å; R608-Y623 PolarHBondContact N-OH 3.4Å; R608-F927 HydrophobicContact CG-CB 4.14Å; R608-F927 HydrophobicContact CG-CD1 4.08Å; R608-F927 HydrophobicContact CG-CD2 3.79Å; R608-F927 HydrophobicContact CG-CE1 4.39Å; R608-F927 HydrophobicContact CG-CE2 4.1Å; R608-F927 HydrophobicContact CG-CG 3.75Å; R608-F927 HydrophobicContact CG-CZ 4.37Å |
| 609 | Q | 90.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.7 | -166 | 72.8 | -18.5 | 0 | 0 | 110.7 | L549 V552 F556 Q605 L606 A607 R612 Y613 | L549-Q609 HydrophobicContact CD2-CB 4.42Å; L549-Q609 PolarHBondContact O-NE2 3.21Å; V552-Q609 HydrophobicContact CG1-CG 4.48Å; F556-Q609 HydrophobicContact CD2-CG 4.33Å; F556-Q609 HydrophobicContact CE2-CB 4.49Å; F556-Q609 HydrophobicContact CE2-CG 4.42Å; Q605-Q609 WeakPolarHBondContact O-CB 3.42Å; Q605-Q609 PolarHBondContact O-N 3.49Å; L606-Q609 WeakPolarHBondContact O-CB 3.48Å; L606-Q609 PolarHBondContact O-N 3.42Å; L606-Q609 VanDerWaalsContact O-N 3.16Å; A607-Q609 VanDerWaalsContact C-N 3.34Å; A607-Q609 PolarHBondContact O-N 2.81Å; Q609-R612 WeakPolarHBondContact O-CB 3.07Å; Q609-R612 PolarHBondContact O-N 3.07Å; Q609-Y613 HydrophobicContact CG-CD2 4.33Å; Q609-Y613 HydrophobicContact CG-CE2 4.26Å; Q609-Y613 WeakPolarHBondContact O-CD2 3.33Å; Q609-Y613 PolarHBondContact O-N 3.4Å |
| 610 | G | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.3 | -50.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F556 L606 A607 R608 R612 Y613 G614 Q615 | F556-G610 VanDerWaalsContact CE2-CA 3.5Å; L606-G610 PolarHBondContact O-N 3.4Å; A607-G610 PolarHBondContact O-N 2.87Å; R608-G610 VanDerWaalsContact C-N 3.3Å; R608-G610 PolarHBondContact O-N 2.83Å; G610-R612 VanDerWaalsContact C-N 3.27Å; G610-R612 PolarHBondContact O-N 3Å; G610-Y613 CarbonylContact O-C 3.59Å; G610-Y613 PolarHBondContact O-N 3.41Å; G610-G614 PolarHBondContact O-N 3.15Å; G610-G614 VanDerWaalsContact O-N 3.17Å; G610-Q615 WeakPolarHBondContact O-CB 3.29Å; G610-Q615 PolarHBondContact O-N 3.44Å |
| 611 | N | 90.9 | Very high | 92 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -29.4 | 177.1 | -87.9 | -12 | 0 | 0 | 0 | 114 | A607 R608 Y613 H616 A619 S646 H921 W922 F927 | A607-N611 PolarHBondContact O-N 3.3Å; R608-N611 PolarHBondContact O-N 2.99Å; N611-Y613 PolarHBondContact O-N 2.96Å; N611-H616 PolarHBondContact OD1-ND1 3.34Å; N611-A619 HydrophobicContact CB-CB 4.36Å; N611-A619 VanDerWaalsContact OD1-CB 3.23Å; N611-A619 WeakPolarHBondContact OD1-CB 3.42Å; N611-S646 PolarHBondContact ND2-OG 2.89Å; N611-H921 WeakPolarHBondContact O-CA 3.48Å; N611-W922 HydrophobicContact CB-CD2 4.3Å; N611-W922 HydrophobicContact CB-CG 4.38Å; N611-W922 VanDerWaalsContact ND2-CH2 3.32Å; N611-W922 WeakPolarHBondContact ND2-CH2 3.28Å; N611-W922 WeakPolarHBondContact ND2-CZ2 3.21Å; N611-W922 PolarHBondContact O-N 3.29Å; N611-F927 HydrophobicContact CB-CZ 4.24Å |
| 612 | R | 85.2 | Confident | 92.2 | Very high | 98 Ų | 98 | 22.2 Ų | 22.2 | 37% | 0.37 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -66.6 | -22.4 | 173.9 | -174.3 | 179 | 177.4 | -167 | -2.7 | 112.9 | R608 Q609 G610 H921 | R608-R612 PolarHBondContact O-N 2.94Å; Q609-R612 WeakPolarHBondContact O-CB 3.07Å; Q609-R612 PolarHBondContact O-N 3.07Å; G610-R612 VanDerWaalsContact C-N 3.27Å; G610-R612 PolarHBondContact O-N 3Å; R612-H921 WeakPolarHBondContact O-CB 3.49Å |
| 613 | Y | 84.7 | Confident | 92.4 | Very high | 49 Ų | 49 | 21.4 Ų | 21.4 | 19% | 0.192 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 21.1 | -179.6 | -68.9 | -80.4 | 0 | 0 | 0 | 112.9 | F556 Q557 Q609 G610 N611 Q615 | F556-Y613 VanDerWaalsContact CB-CB 3.43Å; F556-Y613 HydrophobicContact CB-CD2 4.05Å; F556-Y613 HydrophobicContact CB-CG 3.81Å; F556-Y613 HydrophobicContact CD2-CD2 4.26Å; Q557-Y613 HydrophobicContact CB-CD1 3.83Å; Q557-Y613 HydrophobicContact CB-CE1 3.63Å; Q557-Y613 HydrophobicContact CG-CD1 4.31Å; Q557-Y613 HydrophobicContact CG-CE1 4.01Å; Q609-Y613 HydrophobicContact CG-CD2 4.33Å; Q609-Y613 HydrophobicContact CG-CE2 4.26Å; Q609-Y613 WeakPolarHBondContact O-CD2 3.33Å; Q609-Y613 PolarHBondContact O-N 3.4Å; G610-Y613 CarbonylContact O-C 3.59Å; G610-Y613 PolarHBondContact O-N 3.41Å; N611-Y613 PolarHBondContact O-N 2.96Å; Y613-Q615 VanDerWaalsContact C-N 3.32Å; Y613-Q615 PolarHBondContact O-N 3.49Å |
| 614 | G | 87.1 | Confident | 92.5 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 9.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | G610 H616 | G610-G614 PolarHBondContact O-N 3.15Å; G610-G614 VanDerWaalsContact O-N 3.17Å; G614-H616 PolarHBondContact O-CD2 3.33Å; G614-H616 PolarHBondContact O-N 2.93Å |
| 615 | Q | 91.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | trans | -84.8 | 59.8 | 178.5 | -62.7 | -69.2 | -28.4 | 0 | 0 | 111.3 | F556 T559 S562 P563 G610 Y613 E617 F618 A619 | F556-Q615 HydrophobicContact CB-CG 4.12Å; F556-Q615 HydrophobicContact CD1-CG 3.68Å; F556-Q615 HydrophobicContact CD2-CG 4.42Å; F556-Q615 HydrophobicContact CE1-CG 4.13Å; F556-Q615 HydrophobicContact CG-CG 3.85Å; T559-Q615 PolarHBondContact OG1-NE2 2.93Å; S562-Q615 PolarHBondContact O-NE2 2.7Å; P563-Q615 VanDerWaalsContact CA-OE1 3.27Å; G610-Q615 WeakPolarHBondContact O-CB 3.29Å; G610-Q615 PolarHBondContact O-N 3.44Å; Y613-Q615 VanDerWaalsContact C-N 3.32Å; Y613-Q615 PolarHBondContact O-N 3.49Å; Q615-E617 PolarHBondContact O-N 3.27Å; Q615-F618 HydrophobicContact CB-CB 4.3Å; Q615-F618 PolarHBondContact O-N 3.45Å; Q615-A619 PolarHBondContact O-N 3.35Å; Q615-A619 VanDerWaalsContact O-N 3.08Å | ||
| 616 | H | 92.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.3 | -34.4 | -169.9 | -55.1 | -58 | 0 | 0 | 0 | 114.3 | N611 G614 A619 G620 S646 E649 C650 T920 W922 | N611-H616 PolarHBondContact OD1-ND1 3.34Å; G614-H616 PolarHBondContact O-CD2 3.33Å; G614-H616 PolarHBondContact O-N 2.93Å; H616-A619 PolarHBondContact O-N 3.24Å; H616-G620 PolarHBondContact O-N 3.48Å; H616-S646 WeakPolarHBondContact CB-O 3.24Å; H616-S646 WeakPolarHBondContact O-CB 3.43Å; H616-E649 HydrophobicContact CB-CB 4.14Å; H616-C650 HydrophobicContact CB-CB 4.31Å; H616-T920 PolarHBondContact CE1-O 2.98Å; H616-T920 PolarHBondContact NE2-O 3.46Å; H616-T920 VanDerWaalsContact NE2-O 3.1Å; H616-W922 AromaticContact CE1-NE1 3.8Å |
| 617 | E | 93.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 27% | 0.266 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.9 | -165.6 | -169.1 | 155 | 0 | 0 | 111.3 | Q615 G620 K621 C650 | Q615-E617 PolarHBondContact O-N 3.27Å; E617-G620 PolarHBondContact O-N 2.96Å; E617-K621 WeakPolarHBondContact O-CG 3.24Å; E617-K621 PolarHBondContact O-N 2.86Å; E617-K621 VanDerWaalsContact O-N 3.14Å; E617-K621 VanDerWaalsContact OE1-CE 3.26Å; E617-K621 WeakPolarHBondContact OE1-CE 3.42Å; E617-K621 IonicContact OE1-NZ 3.91Å; E617-K621 PolarHBondContact OE1-NZ 3.28Å; E617-C650 HydrophobicContact CB-CB 4.46Å |
| 618 | F | 94.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.2 | -49.4 | 175.8 | 171.9 | -100.9 | 0 | 0 | 0 | 110.8 | F556 Q569 M573 L606 Q615 G620 L622 | F556-F618 HydrophobicContact CE2-CD1 4.48Å; F556-F618 HydrophobicContact CE2-CE1 4.26Å; F556-F618 AromaticContact CZ-CD1 3.84Å; F556-F618 HydrophobicContact CZ-CD1 3.84Å; F556-F618 AromaticContact CZ-CE1 3.64Å; F556-F618 HydrophobicContact CZ-CE1 3.64Å; F556-F618 HydrophobicContact CZ-CZ 4.22Å; Q569-F618 HydrophobicContact CB-CD2 4.17Å; Q569-F618 HydrophobicContact CG-CB 4.42Å; Q569-F618 HydrophobicContact CG-CD2 3.98Å; M573-F618 HydrophobicContact CG-CE2 3.76Å; M573-F618 HydrophobicContact CG-CZ 4.31Å; M573-F618 HydrophobicContact SD-CE2 3.7Å; M573-F618 HydrophobicContact SD-CZ 3.63Å; L606-F618 HydrophobicContact CB-CE1 4.47Å; Q615-F618 HydrophobicContact CB-CB 4.3Å; Q615-F618 PolarHBondContact O-N 3.45Å; F618-G620 PolarHBondContact O-N 3.02Å; F618-L622 HydrophobicContact CD1-CD1 4.29Å; F618-L622 HydrophobicContact CE1-CD1 3.64Å; F618-L622 HydrophobicContact CE2-CD1 4.08Å; F618-L622 HydrophobicContact CZ-CD1 3.54Å; F618-L622 HydrophobicContact CZ-CG 4.44Å; F618-L622 WeakPolarHBondContact O-CG 3.49Å; F618-L622 PolarHBondContact O-N 2.92Å |
| 619 | A | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A607 N611 Q615 H616 L622 Y623 | A607-A619 HydrophobicContact CB-CB 4.34Å; A607-A619 VanDerWaalsContact O-CB 3.24Å; A607-A619 WeakPolarHBondContact O-CB 3.46Å; N611-A619 HydrophobicContact CB-CB 4.36Å; N611-A619 VanDerWaalsContact OD1-CB 3.23Å; N611-A619 WeakPolarHBondContact OD1-CB 3.42Å; Q615-A619 PolarHBondContact O-N 3.35Å; Q615-A619 VanDerWaalsContact O-N 3.08Å; H616-A619 PolarHBondContact O-N 3.24Å; A619-L622 PolarHBondContact O-N 3.44Å; A619-Y623 HydrophobicContact CB-CD2 4.41Å; A619-Y623 HydrophobicContact CB-CE2 4.03Å; A619-Y623 WeakPolarHBondContact O-CD2 3.44Å; A619-Y623 PolarHBondContact O-N 2.9Å |
| 620 | G | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H616 E617 F618 L622 Y623 E624 S643 | H616-G620 PolarHBondContact O-N 3.48Å; E617-G620 PolarHBondContact O-N 2.96Å; F618-G620 PolarHBondContact O-N 3.02Å; G620-L622 VanDerWaalsContact C-N 3.26Å; G620-L622 PolarHBondContact O-N 3.43Å; G620-Y623 PolarHBondContact O-N 3.37Å; G620-E624 WeakPolarHBondContact O-CB 3.48Å; G620-E624 PolarHBondContact O-N 3.42Å; G620-S643 PolarHBondContact O-OG 3.13Å |
| 621 | K | 95 | Very high | 92 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58 | -38.6 | 176.8 | -71 | 176.1 | -174.5 | 169.3 | 0 | 112.3 | E617 K625 | E617-K621 WeakPolarHBondContact O-CG 3.24Å; E617-K621 PolarHBondContact O-N 2.86Å; E617-K621 VanDerWaalsContact O-N 3.14Å; E617-K621 VanDerWaalsContact OE1-CE 3.26Å; E617-K621 WeakPolarHBondContact OE1-CE 3.42Å; E617-K621 IonicContact OE1-NZ 3.91Å; E617-K621 PolarHBondContact OE1-NZ 3.28Å; K621-K625 PolarHBondContact O-N 2.93Å; K621-K625 VanDerWaalsContact O-N 3.16Å |
| 622 | L | 95.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.2 | -43.8 | 178 | -67.9 | -172.5 | 0 | 0 | 0 | 112 | M573 V603 L606 A607 F618 A619 G620 K625 L626 | M573-L622 HydrophobicContact CE-CD2 4.1Å; M573-L622 HydrophobicContact SD-CD1 4.34Å; M573-L622 HydrophobicContact SD-CD2 4.38Å; V603-L622 HydrophobicContact CG1-CB 4.01Å; V603-L622 HydrophobicContact CG1-CD1 4.15Å; V603-L622 HydrophobicContact CG1-CD2 3.89Å; V603-L622 HydrophobicContact CG1-CG 4.23Å; L606-L622 HydrophobicContact CB-CD1 4.14Å; A607-L622 HydrophobicContact CB-CB 3.8Å; A607-L622 HydrophobicContact CB-CD1 4.01Å; F618-L622 HydrophobicContact CD1-CD1 4.29Å; F618-L622 HydrophobicContact CE1-CD1 3.64Å; F618-L622 HydrophobicContact CE2-CD1 4.08Å; F618-L622 HydrophobicContact CZ-CD1 3.54Å; F618-L622 HydrophobicContact CZ-CG 4.44Å; F618-L622 WeakPolarHBondContact O-CG 3.49Å; F618-L622 PolarHBondContact O-N 2.92Å; A619-L622 PolarHBondContact O-N 3.44Å; G620-L622 VanDerWaalsContact C-N 3.26Å; G620-L622 PolarHBondContact O-N 3.43Å; L622-K625 PolarHBondContact O-N 2.98Å; L622-L626 WeakPolarHBondContact O-CB 3.21Å; L622-L626 VanDerWaalsContact O-CG 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.42Å; L622-L626 PolarHBondContact O-N 3.45Å |
| 623 | Y | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 177.1 | -68.7 | -47.2 | 0 | 0 | 0 | 112.8 | Y604 A607 R608 A619 G620 K625 L626 S627 L639 L642 | Y604-Y623 HydrophobicContact CD2-CD1 4.2Å; Y604-Y623 AromaticContact CD2-CE1 3.67Å; Y604-Y623 HydrophobicContact CD2-CE1 3.67Å; Y604-Y623 HydrophobicContact CE2-CD1 4.46Å; Y604-Y623 AromaticContact CE2-CE1 3.76Å; Y604-Y623 HydrophobicContact CE2-CE1 3.76Å; A607-Y623 HydrophobicContact CB-CD1 3.91Å; A607-Y623 HydrophobicContact CB-CD2 4.34Å; A607-Y623 HydrophobicContact CB-CE1 3.45Å; A607-Y623 VanDerWaalsContact CB-CE1 3.45Å; A607-Y623 HydrophobicContact CB-CE2 3.94Å; A607-Y623 HydrophobicContact CB-CG 4.32Å; A607-Y623 VanDerWaalsContact CB-CZ 3.48Å; R608-Y623 WeakPolarHBondContact CA-OH 3.33Å; R608-Y623 PolarHBondContact N-OH 3.4Å; A619-Y623 HydrophobicContact CB-CD2 4.41Å; A619-Y623 HydrophobicContact CB-CE2 4.03Å; A619-Y623 WeakPolarHBondContact O-CD2 3.44Å; A619-Y623 PolarHBondContact O-N 2.9Å; G620-Y623 PolarHBondContact O-N 3.37Å; Y623-K625 VanDerWaalsContact C-N 3.34Å; Y623-K625 PolarHBondContact O-N 2.84Å; Y623-L626 HydrophobicContact CD1-CD1 4.49Å; Y623-L626 PolarHBondContact O-N 3.18Å; Y623-S627 PolarHBondContact O-N 3.21Å; Y623-L639 HydrophobicContact CD1-CD2 3.94Å; Y623-L642 HydrophobicContact CD1-CB 4.22Å; Y623-L642 HydrophobicContact CD1-CD1 4.07Å; Y623-L642 HydrophobicContact CD2-CB 3.69Å; Y623-L642 HydrophobicContact CE1-CB 4.42Å; Y623-L642 HydrophobicContact CE1-CD1 3.78Å; Y623-L642 HydrophobicContact CE2-CB 3.9Å; Y623-L642 HydrophobicContact CE2-CD1 4.45Å; Y623-L642 HydrophobicContact CG-CB 3.87Å |
| 624 | E | 95.5 | Very high | 91.9 | Very high | 106 Ų | 106 | 53.7 Ų | 53.7 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 174 | -175.6 | 177.8 | -176.1 | 0 | 0 | 111.8 | G620 L626 S627 S628 | G620-E624 WeakPolarHBondContact O-CB 3.48Å; G620-E624 PolarHBondContact O-N 3.42Å; E624-L626 VanDerWaalsContact C-N 3.31Å; E624-L626 PolarHBondContact O-N 2.98Å; E624-S627 PolarHBondContact O-N 3.29Å; E624-S627 PolarHBondContact O-OG 3.28Å; E624-S628 PolarHBondContact O-N 2.71Å |
| 625 | K | 93.5 | Very high | 91.9 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 66% | 0.661 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.8 | -36.9 | 177.2 | -157.3 | 167.1 | -172.6 | 174.1 | 0 | 111.6 | K621 L622 Y623 S628 | K621-K625 PolarHBondContact O-N 2.93Å; K621-K625 VanDerWaalsContact O-N 3.16Å; L622-K625 PolarHBondContact O-N 2.98Å; Y623-K625 VanDerWaalsContact C-N 3.34Å; Y623-K625 PolarHBondContact O-N 2.84Å; K625-S628 PolarHBondContact O-OG 3.16Å |
| 626 | L | 94.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70 | -34.8 | 176.1 | -75 | 173.1 | 0 | 0 | 0 | 113.2 | P600 V603 Y604 L622 Y623 E624 S628 L629 A630 L639 | P600-L626 HydrophobicContact CB-CD2 3.69Å; P600-L626 WeakPolarHBondContact O-CD2 3.41Å; V603-L626 HydrophobicContact CB-CD1 4.24Å; V603-L626 HydrophobicContact CB-CD2 4.13Å; V603-L626 HydrophobicContact CB-CG 4.41Å; V603-L626 HydrophobicContact CG1-CD1 3.89Å; V603-L626 HydrophobicContact CG1-CD2 4.14Å; V603-L626 HydrophobicContact CG1-CG 3.94Å; Y604-L626 HydrophobicContact CD2-CD1 4.45Å; L622-L626 WeakPolarHBondContact O-CB 3.21Å; L622-L626 VanDerWaalsContact O-CG 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.42Å; L622-L626 PolarHBondContact O-N 3.45Å; Y623-L626 HydrophobicContact CD1-CD1 4.49Å; Y623-L626 PolarHBondContact O-N 3.18Å; E624-L626 VanDerWaalsContact C-N 3.31Å; E624-L626 PolarHBondContact O-N 2.98Å; L626-S628 PolarHBondContact O-N 2.94Å; L626-L629 CarbonylContact O-C 3.47Å; L626-L629 WeakPolarHBondContact O-CA 3.42Å; L626-L629 WeakPolarHBondContact O-CB 3.42Å; L626-L629 PolarHBondContact O-N 3.21Å; L626-A630 PolarHBondContact O-N 3.37Å; L626-L639 HydrophobicContact CB-CD1 3.99Å; L626-L639 HydrophobicContact CB-CD2 4.16Å; L626-L639 HydrophobicContact CD1-CD2 4.4Å |
| 627 | S | 93 | Very high | 91.7 | Very high | 13 Ų | 13 | 65 Ų | 65 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 178.4 | 71.8 | 0 | 0 | 0 | 0 | 110.4 | Y623 E624 L629 A630 Y636 | Y623-S627 PolarHBondContact O-N 3.21Å; E624-S627 PolarHBondContact O-N 3.29Å; E624-S627 PolarHBondContact O-OG 3.28Å; S627-L629 PolarHBondContact O-N 3.15Å; S627-L629 VanDerWaalsContact O-N 3.14Å; S627-A630 VanDerWaalsContact O-CB 3.25Å; S627-A630 WeakPolarHBondContact O-CB 3.46Å; S627-A630 PolarHBondContact O-N 3.29Å; S627-Y636 WeakPolarHBondContact O-CD2 3.31Å |
| 628 | S | 91.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 62% | 0.622 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.9 | 173.8 | 79.9 | 0 | 0 | 0 | 0 | 114.2 | E624 K625 L626 | E624-S628 PolarHBondContact O-N 2.71Å; K625-S628 PolarHBondContact O-OG 3.16Å; L626-S628 PolarHBondContact O-N 2.94Å |
| 629 | L | 91.6 | Very high | 91.4 | Very high | 96 Ų | 96 | 64 Ų | 64 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -1.9 | 178.2 | -58.9 | 176.3 | 0 | 0 | 0 | 112.9 | P600 L626 S627 I631 | P600-L629 HydrophobicContact CG-CD1 4.49Å; L626-L629 CarbonylContact O-C 3.47Å; L626-L629 WeakPolarHBondContact O-CA 3.42Å; L626-L629 WeakPolarHBondContact O-CB 3.42Å; L626-L629 PolarHBondContact O-N 3.21Å; S627-L629 PolarHBondContact O-N 3.15Å; S627-L629 VanDerWaalsContact O-N 3.14Å; L629-I631 PolarHBondContact O-N 3.46Å |
| 630 | A | 88.6 | Confident | 91.3 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | trans | -72.7 | 127.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L626 S627 L639 | L626-A630 PolarHBondContact O-N 3.37Å; S627-A630 VanDerWaalsContact O-CB 3.25Å; S627-A630 WeakPolarHBondContact O-CB 3.46Å; S627-A630 PolarHBondContact O-N 3.29Å; A630-L639 HydrophobicContact CB-CD1 4.2Å | ||
| 631 | I | 88.2 | Confident | 91.1 | Very high | 171 Ų | 171 | 65.1 Ų | 65.1 | 88% | 0.877 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -84.2 | -29.8 | -178.5 | -56.7 | 168.5 | 0 | 0 | 0 | 111.5 | L629 | L629-I631 PolarHBondContact O-N 3.46Š|
| 632 | T | 87.3 | Confident | 91.1 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -108.5 | 140.4 | -177.7 | 67.6 | 0 | 0 | 0 | 0 | 110.8 | K634 S635 Y636 | T632-K634 PolarHBondContact O-N 2.78Å; T632-S635 PolarHBondContact O-N 3.38Å; T632-S635 WeakPolarHBondContact OG1-CB 3.27Å; T632-S635 PolarHBondContact OG1-N 2.87Å; T632-S635 PolarHBondContact OG1-OG 3.4Å; T632-Y636 PolarHBondContact O-N 3.16Å |
| 633 | E | 86.3 | Confident | 91.1 | Very high | 153 Ų | 153 | 61 Ų | 61 | 72% | 0.715 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -52.9 | -42.9 | 176.6 | -69 | -177 | 169 | 0 | 0 | 111.8 | S635 Y636 F637 | E633-S635 VanDerWaalsContact C-N 3.29Å; E633-S635 PolarHBondContact O-N 3.16Å; E633-Y636 WeakPolarHBondContact O-CB 3.38Å; E633-Y636 PolarHBondContact O-N 2.94Å; E633-F637 HydrophobicContact CB-CD2 4.21Å; E633-F637 HydrophobicContact CB-CE2 4.14Å; E633-F637 WeakPolarHBondContact O-CD2 3.48Å; E633-F637 PolarHBondContact O-N 2.82Å |
| 634 | K | 85.6 | Confident | 91 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 175.8 | -68.2 | -174.5 | 176.9 | -178.3 | 0 | 112.2 | T632 W638 V713 | T632-K634 PolarHBondContact O-N 2.78Å; K634-W638 WeakPolarHBondContact O-CB 3.34Å; K634-W638 PolarHBondContact O-N 2.67Å; K634-V713 HydrophobicContact CB-CG1 4.42Å; K634-V713 VanDerWaalsContact O-CG1 3.3Å; K634-V713 WeakPolarHBondContact O-CG1 3.48Å |
| 635 | S | 86.8 | Confident | 90.8 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72 | -38.2 | 179 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | T632 E633 W638 L639 | T632-S635 PolarHBondContact O-N 3.38Å; T632-S635 WeakPolarHBondContact OG1-CB 3.27Å; T632-S635 PolarHBondContact OG1-N 2.87Å; T632-S635 PolarHBondContact OG1-OG 3.4Å; E633-S635 VanDerWaalsContact C-N 3.29Å; E633-S635 PolarHBondContact O-N 3.16Å; S635-W638 PolarHBondContact O-N 3.18Å; S635-L639 WeakPolarHBondContact O-CB 3.46Å; S635-L639 WeakPolarHBondContact O-CD1 3.31Å; S635-L639 VanDerWaalsContact O-CG 3.26Å; S635-L639 WeakPolarHBondContact O-CG 3.46Å; S635-L639 PolarHBondContact O-N 3.41Å |
| 636 | Y | 90 | Very high | 90.9 | Very high | 108 Ų | 108 | 52.9 Ų | 52.9 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.1 | -58 | 174.8 | 173.8 | -99 | 0 | 0 | 0 | 110.5 | S627 T632 E633 W638 L639 T640 | S627-Y636 WeakPolarHBondContact O-CD2 3.31Å; T632-Y636 PolarHBondContact O-N 3.16Å; E633-Y636 WeakPolarHBondContact O-CB 3.38Å; E633-Y636 PolarHBondContact O-N 2.94Å; Y636-W638 VanDerWaalsContact C-N 3.3Å; Y636-W638 PolarHBondContact O-N 3.18Å; Y636-L639 PolarHBondContact O-N 2.99Å; Y636-T640 WeakPolarHBondContact O-CB 3.39Å; Y636-T640 PolarHBondContact O-N 2.88Å; Y636-T640 PolarHBondContact O-OG1 2.67Å |
| 637 | F | 89.1 | Confident | 90.9 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -34.3 | -180 | -73.5 | -61.7 | 0 | 0 | 0 | 112.9 | E633 A641 T709 V713 | E633-F637 HydrophobicContact CB-CD2 4.21Å; E633-F637 HydrophobicContact CB-CE2 4.14Å; E633-F637 WeakPolarHBondContact O-CD2 3.48Å; E633-F637 PolarHBondContact O-N 2.82Å; F637-A641 VanDerWaalsContact O-CB 3.27Å; F637-A641 WeakPolarHBondContact O-CB 3.44Å; F637-A641 PolarHBondContact O-N 3.29Å; F637-T709 HydrophobicContact CD1-CG2 4.5Å; F637-V713 HydrophobicContact CB-CG2 3.34Å; F637-V713 HydrophobicContact CG-CG2 4.49Å |
| 638 | W | 89.6 | Confident | 90.9 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -54.8 | 171.6 | 175.5 | -112.9 | 0 | 0 | 0 | 111.5 | Y604 K634 S635 Y636 T640 A641 L642 V713 R719 Q722 F926 | Y604-W638 AromaticContact CE2-NE1 3.94Å; Y604-W638 PolarHBondContact OH-NE1 3.01Å; K634-W638 WeakPolarHBondContact O-CB 3.34Å; K634-W638 PolarHBondContact O-N 2.67Å; S635-W638 PolarHBondContact O-N 3.18Å; Y636-W638 VanDerWaalsContact C-N 3.3Å; Y636-W638 PolarHBondContact O-N 3.18Å; W638-T640 PolarHBondContact O-N 3.17Å; W638-A641 PolarHBondContact O-N 2.86Å; W638-L642 HydrophobicContact CD2-CD1 4.31Å; W638-L642 HydrophobicContact CD2-CG 4.37Å; W638-L642 HydrophobicContact CH2-CD2 4.1Å; W638-L642 HydrophobicContact CZ2-CD1 3.91Å; W638-L642 HydrophobicContact CZ2-CD2 3.92Å; W638-L642 HydrophobicContact CZ2-CG 4.21Å; W638-L642 WeakPolarHBondContact O-CG 3.49Å; W638-L642 PolarHBondContact O-N 2.82Å; W638-V713 HydrophobicContact CB-CG1 3.97Å; W638-R719 HydrophobicContact CZ3-CG 4.44Å; W638-Q722 HydrophobicContact CH2-CG 3.97Å; W638-Q722 HydrophobicContact CZ3-CG 4.29Å; W638-F926 HydrophobicContact CH2-CE1 4.18Å |
| 639 | L | 92.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | -177.3 | -70.1 | 165 | 0 | 0 | 0 | 111.6 | Y604 Y623 L626 A630 S635 Y636 L642 S643 | Y604-L639 HydrophobicContact CD2-CD2 3.81Å; Y604-L639 HydrophobicContact CE2-CD2 4.03Å; Y623-L639 HydrophobicContact CD1-CD2 3.94Å; L626-L639 HydrophobicContact CB-CD1 3.99Å; L626-L639 HydrophobicContact CB-CD2 4.16Å; L626-L639 HydrophobicContact CD1-CD2 4.4Å; A630-L639 HydrophobicContact CB-CD1 4.2Å; S635-L639 WeakPolarHBondContact O-CB 3.46Å; S635-L639 WeakPolarHBondContact O-CD1 3.31Å; S635-L639 VanDerWaalsContact O-CG 3.26Å; S635-L639 WeakPolarHBondContact O-CG 3.46Å; S635-L639 PolarHBondContact O-N 3.41Å; Y636-L639 PolarHBondContact O-N 2.99Å; L639-L642 PolarHBondContact O-N 3.3Å; L639-S643 WeakPolarHBondContact O-CB 3.27Å; L639-S643 PolarHBondContact O-N 3.36Å |
| 640 | T | 91.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 173.9 | -60 | 0 | 0 | 0 | 0 | 111.1 | Y636 W638 L642 S643 E644 | Y636-T640 WeakPolarHBondContact O-CB 3.39Å; Y636-T640 PolarHBondContact O-N 2.88Å; Y636-T640 PolarHBondContact O-OG1 2.67Å; W638-T640 PolarHBondContact O-N 3.17Å; T640-L642 VanDerWaalsContact C-N 3.34Å; T640-L642 PolarHBondContact O-N 3.02Å; T640-S643 WeakPolarHBondContact O-CB 3.1Å; T640-S643 PolarHBondContact O-N 3.29Å; T640-S643 VanDerWaalsContact O-N 3.16Å; T640-E644 HydrophobicContact CG2-CG 4.36Å; T640-E644 WeakPolarHBondContact CG2-OE1 3.38Å; T640-E644 WeakPolarHBondContact O-CB 3.35Å; T640-E644 WeakPolarHBondContact O-CG 3.32Å; T640-E644 PolarHBondContact O-N 3.3Å |
| 641 | A | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F637 W638 S643 F645 L706 T709 I710 | F637-A641 VanDerWaalsContact O-CB 3.27Å; F637-A641 WeakPolarHBondContact O-CB 3.44Å; F637-A641 PolarHBondContact O-N 3.29Å; W638-A641 PolarHBondContact O-N 2.86Å; A641-S643 VanDerWaalsContact C-N 3.35Å; A641-F645 VanDerWaalsContact O-CB 3.27Å; A641-F645 WeakPolarHBondContact O-CB 3.2Å; A641-F645 PolarHBondContact O-N 3.39Å; A641-L706 HydrophobicContact CB-CD2 4.14Å; A641-T709 HydrophobicContact CB-CG2 4.29Å; A641-I710 HydrophobicContact CB-CD1 4.07Å; A641-I710 HydrophobicContact CB-CG1 3.7Å |
| 642 | L | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 173.9 | -66.1 | 178.9 | 0 | 0 | 0 | 112.1 | Y604 Y623 W638 L639 T640 S646 W922 F926 F927 | Y604-L642 HydrophobicContact CE2-CD1 3.81Å; Y623-L642 HydrophobicContact CD1-CB 4.22Å; Y623-L642 HydrophobicContact CD1-CD1 4.07Å; Y623-L642 HydrophobicContact CD2-CB 3.69Å; Y623-L642 HydrophobicContact CE1-CB 4.42Å; Y623-L642 HydrophobicContact CE1-CD1 3.78Å; Y623-L642 HydrophobicContact CE2-CB 3.9Å; Y623-L642 HydrophobicContact CE2-CD1 4.45Å; Y623-L642 HydrophobicContact CG-CB 3.87Å; W638-L642 HydrophobicContact CD2-CD1 4.31Å; W638-L642 HydrophobicContact CD2-CG 4.37Å; W638-L642 HydrophobicContact CH2-CD2 4.1Å; W638-L642 HydrophobicContact CZ2-CD1 3.91Å; W638-L642 HydrophobicContact CZ2-CD2 3.92Å; W638-L642 HydrophobicContact CZ2-CG 4.21Å; W638-L642 WeakPolarHBondContact O-CG 3.49Å; W638-L642 PolarHBondContact O-N 2.82Å; L639-L642 PolarHBondContact O-N 3.3Å; T640-L642 VanDerWaalsContact C-N 3.34Å; T640-L642 PolarHBondContact O-N 3.02Å; L642-S646 WeakPolarHBondContact O-CB 3.5Å; L642-S646 PolarHBondContact O-N 3.22Å; L642-S646 PolarHBondContact O-OG 3.32Å; L642-W922 HydrophobicContact CD2-CH2 4.18Å; L642-W922 HydrophobicContact CD2-CZ3 3.62Å; L642-F926 HydrophobicContact CD2-CE1 3.74Å; L642-F926 HydrophobicContact CD2-CZ 4.44Å; L642-F927 HydrophobicContact CD2-CE1 4.21Å |
| 643 | S | 95.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -55.1 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | G620 L639 T640 A641 F645 S646 Q647 | G620-S643 PolarHBondContact O-OG 3.13Å; L639-S643 WeakPolarHBondContact O-CB 3.27Å; L639-S643 PolarHBondContact O-N 3.36Å; T640-S643 WeakPolarHBondContact O-CB 3.1Å; T640-S643 PolarHBondContact O-N 3.29Å; T640-S643 VanDerWaalsContact O-N 3.16Å; A641-S643 VanDerWaalsContact C-N 3.35Å; S643-F645 VanDerWaalsContact C-N 3.34Å; S643-F645 PolarHBondContact O-N 3.44Å; S643-S646 CarbonylContact O-C 3.49Å; S643-S646 WeakPolarHBondContact O-CB 3.28Å; S643-S646 PolarHBondContact O-N 3.36Å; S643-S646 VanDerWaalsContact O-N 3.1Å; S643-Q647 WeakPolarHBondContact O-CG 3.43Å; S643-Q647 PolarHBondContact O-N 3.14Å; S643-Q647 PolarHBondContact OG-NE2 3.09Å |
| 644 | E | 94.2 | Very high | 91.4 | Very high | 85 Ų | 85 | 37 Ų | 37 | 40% | 0.397 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.9 | -41.8 | -179.4 | -74.7 | 177.1 | -170.7 | 0 | 0 | 111.8 | T640 S646 Q647 M648 L706 | T640-E644 HydrophobicContact CG2-CG 4.36Å; T640-E644 WeakPolarHBondContact CG2-OE1 3.38Å; T640-E644 WeakPolarHBondContact O-CB 3.35Å; T640-E644 WeakPolarHBondContact O-CG 3.32Å; T640-E644 PolarHBondContact O-N 3.3Å; E644-S646 PolarHBondContact O-N 3.3Å; E644-Q647 PolarHBondContact O-N 3.15Å; E644-M648 WeakPolarHBondContact O-CB 3.42Å; E644-M648 PolarHBondContact O-N 3.49Å; E644-L706 HydrophobicContact CB-CD1 4.3Å; E644-L706 HydrophobicContact CB-CD2 3.53Å; E644-L706 HydrophobicContact CB-CG 4.41Å; E644-L706 HydrophobicContact CG-CD2 4.47Å; E644-L706 VanDerWaalsContact OE2-CD2 3.23Å; E644-L706 WeakPolarHBondContact OE2-CD2 3.35Å |
| 645 | F | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 176.3 | -167 | -133.8 | 0 | 0 | 0 | 111.7 | A641 S643 M648 E649 L706 Y725 I726 R729 W922 | A641-F645 VanDerWaalsContact O-CB 3.27Å; A641-F645 WeakPolarHBondContact O-CB 3.2Å; A641-F645 PolarHBondContact O-N 3.39Å; S643-F645 VanDerWaalsContact C-N 3.34Å; S643-F645 PolarHBondContact O-N 3.44Å; F645-M648 HydrophobicContact CD2-CE 3.6Å; F645-M648 HydrophobicContact CD2-SD 4.07Å; F645-M648 HydrophobicContact CE2-CE 3.33Å; F645-M648 HydrophobicContact CE2-SD 4.12Å; F645-M648 HydrophobicContact CZ-CE 4.26Å; F645-M648 PolarHBondContact O-N 2.96Å; F645-E649 WeakPolarHBondContact O-CG 3.49Å; F645-E649 PolarHBondContact O-N 2.63Å; F645-E649 VanDerWaalsContact O-N 3.13Å; F645-L706 HydrophobicContact CB-CD1 3.79Å; F645-L706 HydrophobicContact CD2-CD1 3.89Å; F645-L706 HydrophobicContact CG-CD1 4.28Å; F645-Y725 HydrophobicContact CE1-CE1 4.44Å; F645-I726 HydrophobicContact CD1-CD1 4.26Å; F645-I726 HydrophobicContact CD1-CG1 4.2Å; F645-I726 HydrophobicContact CD2-CG1 4.48Å; F645-I726 HydrophobicContact CE1-CG1 3.99Å; F645-I726 HydrophobicContact CE2-CG1 4.18Å; F645-I726 HydrophobicContact CE2-CG2 4.44Å; F645-I726 HydrophobicContact CG-CD1 4.47Å; F645-I726 HydrophobicContact CZ-CG1 4Å; F645-R729 HydrophobicContact CZ-CB 4.38Å; F645-R729 HydrophobicContact CZ-CG 4.14Å; F645-W922 HydrophobicContact CB-CH2 3.95Å; F645-W922 HydrophobicContact CB-CZ2 4.05Å; F645-W922 HydrophobicContact CD1-CD2 4.19Å; F645-W922 AromaticContact CD1-CE2 3.51Å; F645-W922 HydrophobicContact CD1-CE3 4.27Å; F645-W922 AromaticContact CD1-CH2 3.24Å; F645-W922 HydrophobicContact CD1-CH2 3.24Å; F645-W922 AromaticContact CD1-CZ2 3.02Å; F645-W922 HydrophobicContact CD1-CZ2 3.02Å; F645-W922 AromaticContact CD1-CZ3 3.82Å; F645-W922 HydrophobicContact CD1-CZ3 3.82Å; F645-W922 HydrophobicContact CE1-CD2 4.03Å; F645-W922 AromaticContact CE1-CE2 3.48Å; F645-W922 VanDerWaalsContact CE1-CE2 3.48Å; F645-W922 HydrophobicContact CE1-CE3 4.41Å; F645-W922 HydrophobicContact CE1-CH2 4.05Å; F645-W922 AromaticContact CE1-CZ2 3.54Å; F645-W922 HydrophobicContact CE1-CZ2 3.54Å; F645-W922 HydrophobicContact CE1-CZ3 4.4Å; F645-W922 AromaticContact CE1-NE1 3.75Å; F645-W922 HydrophobicContact CG-CH2 4.02Å; F645-W922 AromaticContact CG-CZ2 3.81Å; F645-W922 HydrophobicContact CG-CZ2 3.81Å |
| 646 | S | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -37.9 | 174.8 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | N611 H616 L642 S643 E644 E649 C650 | N611-S646 PolarHBondContact ND2-OG 2.89Å; H616-S646 WeakPolarHBondContact CB-O 3.24Å; H616-S646 WeakPolarHBondContact O-CB 3.43Å; L642-S646 WeakPolarHBondContact O-CB 3.5Å; L642-S646 PolarHBondContact O-N 3.22Å; L642-S646 PolarHBondContact O-OG 3.32Å; S643-S646 CarbonylContact O-C 3.49Å; S643-S646 WeakPolarHBondContact O-CB 3.28Å; S643-S646 PolarHBondContact O-N 3.36Å; S643-S646 VanDerWaalsContact O-N 3.1Å; E644-S646 PolarHBondContact O-N 3.3Å; S646-E649 PolarHBondContact O-N 3.32Å; S646-C650 WeakPolarHBondContact O-CB 3.28Å; S646-C650 PolarHBondContact O-N 2.77Å |
| 647 | Q | 94.4 | Very high | 91.6 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 174.9 | -71.4 | 177.6 | 8.4 | 0 | 0 | 111.6 | S643 E644 C650 K651 | S643-Q647 WeakPolarHBondContact O-CG 3.43Å; S643-Q647 PolarHBondContact O-N 3.14Å; S643-Q647 PolarHBondContact OG-NE2 3.09Å; E644-Q647 PolarHBondContact O-N 3.15Å; Q647-C650 WeakPolarHBondContact O-CB 3.44Å; Q647-C650 PolarHBondContact O-N 3.43Å; Q647-K651 VanDerWaalsContact O-CG 3.3Å; Q647-K651 WeakPolarHBondContact O-CG 3.28Å; Q647-K651 PolarHBondContact O-N 2.85Å |
| 648 | M | 93.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 174.9 | -178.1 | -145.1 | 68.9 | 0 | 0 | 111.5 | E644 F645 C650 K651 L652 A699 E702 A703 | E644-M648 WeakPolarHBondContact O-CB 3.42Å; E644-M648 PolarHBondContact O-N 3.49Å; F645-M648 HydrophobicContact CD2-CE 3.6Å; F645-M648 HydrophobicContact CD2-SD 4.07Å; F645-M648 HydrophobicContact CE2-CE 3.33Å; F645-M648 HydrophobicContact CE2-SD 4.12Å; F645-M648 HydrophobicContact CZ-CE 4.26Å; F645-M648 PolarHBondContact O-N 2.96Å; M648-C650 VanDerWaalsContact C-N 3.33Å; M648-C650 PolarHBondContact O-N 3.14Å; M648-K651 WeakPolarHBondContact O-CB 3.43Å; M648-K651 PolarHBondContact O-N 2.96Å; M648-L652 PolarHBondContact O-N 3.23Å; M648-L652 VanDerWaalsContact O-N 3.1Å; M648-A699 HydrophobicContact CG-CB 3.88Å; M648-A699 HydrophobicContact SD-CB 4.21Å; M648-E702 HydrophobicContact CG-CB 4.16Å; M648-A703 HydrophobicContact SD-CB 3.78Å |
| 649 | E | 91.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | 175.5 | -66.2 | -69.5 | -178.8 | 0 | 0 | 111.4 | H616 F645 S646 K651 L652 I653 R729 | H616-E649 HydrophobicContact CB-CB 4.14Å; F645-E649 WeakPolarHBondContact O-CG 3.49Å; F645-E649 PolarHBondContact O-N 2.63Å; F645-E649 VanDerWaalsContact O-N 3.13Å; S646-E649 PolarHBondContact O-N 3.32Å; E649-K651 PolarHBondContact O-N 2.9Å; E649-L652 PolarHBondContact O-N 2.84Å; E649-I653 WeakPolarHBondContact O-CG1 3.26Å; E649-I653 PolarHBondContact O-N 3.29Å; E649-R729 IonicContact OE1-CZ 3.64Å; E649-R729 IonicContact OE1-NE 3.22Å; E649-R729 PolarHBondContact OE1-NE 3.31Å; E649-R729 VanDerWaalsContact OE1-NE 3.13Å; E649-R729 IonicContact OE1-NH2 2.8Å; E649-R729 PolarHBondContact OE1-NH2 3.14Å; E649-R729 IonicContact OE2-NH2 3.93Å; E649-R729 PolarHBondContact OE2-NH2 3.33Å |
| 650 | C | 91.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | H616 E617 S646 Q647 M648 L652 I653 N654 | H616-C650 HydrophobicContact CB-CB 4.31Å; E617-C650 HydrophobicContact CB-CB 4.46Å; S646-C650 WeakPolarHBondContact O-CB 3.28Å; S646-C650 PolarHBondContact O-N 2.77Å; Q647-C650 WeakPolarHBondContact O-CB 3.44Å; Q647-C650 PolarHBondContact O-N 3.43Å; M648-C650 VanDerWaalsContact C-N 3.33Å; M648-C650 PolarHBondContact O-N 3.14Å; C650-L652 VanDerWaalsContact C-N 3.31Å; C650-L652 PolarHBondContact O-N 2.82Å; C650-I653 PolarHBondContact O-N 2.86Å; C650-N654 WeakPolarHBondContact O-CB 3.4Å; C650-N654 PolarHBondContact O-N 2.78Å; C650-N654 PolarHBondContact O-ND2 2.86Å; C650-N654 PolarHBondContact SG-ND2 2.87Å; C650-N654 VanDerWaalsContact SG-ND2 3.39Å |
| 651 | K | 92.3 | Very high | 91 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 46% | 0.457 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 176.1 | -72.7 | 170.8 | -170.1 | 166.4 | 0 | 111.4 | Q647 M648 E649 N654 L655 E702 | Q647-K651 VanDerWaalsContact O-CG 3.3Å; Q647-K651 WeakPolarHBondContact O-CG 3.28Å; Q647-K651 PolarHBondContact O-N 2.85Å; M648-K651 WeakPolarHBondContact O-CB 3.43Å; M648-K651 PolarHBondContact O-N 2.96Å; E649-K651 PolarHBondContact O-N 2.9Å; K651-N654 PolarHBondContact O-N 3.31Å; K651-L655 VanDerWaalsContact O-CB 3.29Å; K651-L655 WeakPolarHBondContact O-CB 3.25Å; K651-L655 PolarHBondContact O-N 3.31Å; K651-E702 VanDerWaalsContact NZ-CD 3.31Å; K651-E702 IonicContact NZ-OE1 3.04Å; K651-E702 PolarHBondContact NZ-OE1 2.89Å; K651-E702 IonicContact NZ-OE2 2.59Å; K651-E702 PolarHBondContact NZ-OE2 3.45Å |
| 652 | L | 91.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 176.4 | -76.5 | 175.7 | 0 | 0 | 0 | 111.9 | M648 E649 C650 N654 L655 T656 L696 A699 L733 V916 | M648-L652 PolarHBondContact O-N 3.23Å; M648-L652 VanDerWaalsContact O-N 3.1Å; E649-L652 PolarHBondContact O-N 2.84Å; C650-L652 VanDerWaalsContact C-N 3.31Å; C650-L652 PolarHBondContact O-N 2.82Å; L652-N654 PolarHBondContact O-N 3.48Å; L652-L655 WeakPolarHBondContact O-CB 3.37Å; L652-L655 PolarHBondContact O-N 2.72Å; L652-T656 PolarHBondContact O-N 3.05Å; L652-L696 HydrophobicContact CD2-CD2 4.3Å; L652-A699 HydrophobicContact CD1-CB 3.78Å; L652-A699 HydrophobicContact CD2-CB 3.69Å; L652-A699 HydrophobicContact CG-CB 3.78Å; L652-L733 HydrophobicContact CD1-CD1 3.91Å; L652-L733 HydrophobicContact CD1-CD2 3.79Å; L652-V916 HydrophobicContact CB-CG1 4.43Å; L652-V916 HydrophobicContact CD2-CG1 4.25Å |
| 653 | I | 87.4 | Confident | 90.1 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 176.9 | -67.2 | 171.7 | 0 | 0 | 0 | 110.4 | E649 C650 L655 T656 R657 A919 | E649-I653 WeakPolarHBondContact O-CG1 3.26Å; E649-I653 PolarHBondContact O-N 3.29Å; C650-I653 PolarHBondContact O-N 2.86Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 2.68Å; I653-T656 PolarHBondContact O-N 3.34Å; I653-T656 VanDerWaalsContact O-N 3.16Å; I653-T656 PolarHBondContact O-OG1 2.79Å; I653-R657 PolarHBondContact O-N 3.36Å; I653-R657 VanDerWaalsContact O-N 3.12Å; I653-A919 HydrophobicContact CD1-CB 3.75Å |
| 654 | N | 88.8 | Confident | 89.5 | Confident | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.7 | -35.9 | 178.6 | -72.1 | -22 | 0 | 0 | 0 | 112.6 | C650 K651 L652 T656 R657 N658 | C650-N654 WeakPolarHBondContact O-CB 3.4Å; C650-N654 PolarHBondContact O-N 2.78Å; C650-N654 PolarHBondContact O-ND2 2.86Å; C650-N654 PolarHBondContact SG-ND2 2.87Å; C650-N654 VanDerWaalsContact SG-ND2 3.39Å; K651-N654 PolarHBondContact O-N 3.31Å; L652-N654 PolarHBondContact O-N 3.48Å; N654-T656 VanDerWaalsContact C-N 3.33Å; N654-T656 PolarHBondContact O-N 3.42Å; N654-R657 PolarHBondContact O-N 2.72Å; N654-R657 PolarHBondContact OD1-NH1 2.97Å; N654-N658 PolarHBondContact O-N 3.38Å; N654-N658 PolarHBondContact O-ND2 3.4Å |
| 655 | L | 90.7 | Very high | 88.7 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 20% | 0.199 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 170.8 | -178.5 | 87.9 | 0 | 0 | 0 | 110.1 | K651 L652 I653 R657 N658 L659 L692 | K651-L655 VanDerWaalsContact O-CB 3.29Å; K651-L655 WeakPolarHBondContact O-CB 3.25Å; K651-L655 PolarHBondContact O-N 3.31Å; L652-L655 WeakPolarHBondContact O-CB 3.37Å; L652-L655 PolarHBondContact O-N 2.72Å; I653-L655 VanDerWaalsContact C-N 3.34Å; I653-L655 PolarHBondContact O-N 2.68Å; L655-R657 PolarHBondContact O-N 3.18Å; L655-N658 PolarHBondContact O-N 3.22Å; L655-L659 HydrophobicContact CD1-CD1 4.37Å; L655-L659 HydrophobicContact CD2-CD1 4.4Å; L655-L659 HydrophobicContact CG-CD1 3.94Å; L655-L659 VanDerWaalsContact O-CG 3.28Å; L655-L659 WeakPolarHBondContact O-CG 3.38Å; L655-L659 PolarHBondContact O-N 3.37Å; L655-L659 VanDerWaalsContact O-N 3.1Å; L655-L692 HydrophobicContact CD2-CD1 4.13Å |
| 656 | T | 89 | Confident | 87.9 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | -178.9 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | L652 I653 N654 N658 L659 E660 F913 V916 Q917 | L652-T656 PolarHBondContact O-N 3.05Å; I653-T656 PolarHBondContact O-N 3.34Å; I653-T656 VanDerWaalsContact O-N 3.16Å; I653-T656 PolarHBondContact O-OG1 2.79Å; N654-T656 VanDerWaalsContact C-N 3.33Å; N654-T656 PolarHBondContact O-N 3.42Å; T656-N658 PolarHBondContact O-N 3.11Å; T656-L659 PolarHBondContact O-N 2.99Å; T656-E660 PolarHBondContact O-N 3.27Å; T656-F913 HydrophobicContact CG2-CD2 4.38Å; T656-F913 HydrophobicContact CG2-CE2 4.17Å; T656-F913 VanDerWaalsContact O-CE2 3.31Å; T656-F913 WeakPolarHBondContact O-CE2 3.21Å; T656-F913 WeakPolarHBondContact O-CZ 3.35Å; T656-V916 HydrophobicContact CG2-CB 3.88Å; T656-V916 HydrophobicContact CG2-CG1 3.55Å; T656-Q917 HydrophobicContact CG2-CB 4.47Å |
| 657 | R | 86.3 | Confident | 86.9 | Confident | 87 Ų | 87 | 47.8 Ų | 47.8 | 33% | 0.328 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 173.4 | -68.9 | -162.1 | -173.3 | 94.9 | 29.2 | 112.8 | I653 N654 L655 L659 E660 | I653-R657 PolarHBondContact O-N 3.36Å; I653-R657 VanDerWaalsContact O-N 3.12Å; N654-R657 PolarHBondContact O-N 2.72Å; N654-R657 PolarHBondContact OD1-NH1 2.97Å; L655-R657 PolarHBondContact O-N 3.18Å; R657-L659 PolarHBondContact O-N 2.98Å; R657-E660 WeakPolarHBondContact O-CB 3.43Å; R657-E660 PolarHBondContact O-N 3.14Å |
| 658 | N | 89 | Confident | 85.8 | Confident | 127 Ų | 127 | 48 Ų | 48 | 68% | 0.679 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.6 | -28.1 | -179.7 | -68.3 | -19.7 | 0 | 0 | 0 | 112.4 | N654 L655 T656 | N654-N658 PolarHBondContact O-N 3.38Å; N654-N658 PolarHBondContact O-ND2 3.4Å; L655-N658 PolarHBondContact O-N 3.22Å; T656-N658 PolarHBondContact O-N 3.11Å |
| 659 | L | 89.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -92 | -9.8 | 177.8 | -56.8 | 173.9 | 0 | 0 | 0 | 112.6 | L655 T656 R657 I661 D662 V663 W688 K691 L692 F913 | L655-L659 HydrophobicContact CD1-CD1 4.37Å; L655-L659 HydrophobicContact CD2-CD1 4.4Å; L655-L659 HydrophobicContact CG-CD1 3.94Å; L655-L659 VanDerWaalsContact O-CG 3.28Å; L655-L659 WeakPolarHBondContact O-CG 3.38Å; L655-L659 PolarHBondContact O-N 3.37Å; L655-L659 VanDerWaalsContact O-N 3.1Å; T656-L659 PolarHBondContact O-N 2.99Å; R657-L659 PolarHBondContact O-N 2.98Å; L659-I661 PolarHBondContact O-N 3.4Å; L659-D662 PolarHBondContact O-N 3.31Å; L659-V663 VanDerWaalsContact O-CG2 3.27Å; L659-V663 WeakPolarHBondContact O-CG2 3.39Å; L659-V663 PolarHBondContact O-N 3.22Å; L659-W688 HydrophobicContact CD2-CB 3.81Å; L659-K691 HydrophobicContact CD1-CB 4.46Å; L659-K691 HydrophobicContact CD2-CB 3.92Å; L659-K691 HydrophobicContact CD2-CD 3.79Å; L659-L692 HydrophobicContact CD1-CB 4.02Å; L659-L692 HydrophobicContact CD1-CD1 4.47Å; L659-F913 HydrophobicContact CB-CE2 3.97Å |
| 660 | E | 87.7 | Confident | 82.8 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.304 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | -172.6 | -176.8 | 161.3 | -148.9 | 0 | 0 | 112.3 | T656 R657 D662 V663 Q664 F913 Q917 | T656-E660 PolarHBondContact O-N 3.27Å; R657-E660 WeakPolarHBondContact O-CB 3.43Å; R657-E660 PolarHBondContact O-N 3.14Å; E660-D662 PolarHBondContact O-N 3.14Å; E660-V663 PolarHBondContact O-N 3.44Å; E660-Q664 HydrophobicContact CG-CG 4.31Å; E660-Q664 WeakPolarHBondContact O-CB 3.29Å; E660-Q664 VanDerWaalsContact O-CG 3.25Å; E660-Q664 WeakPolarHBondContact O-CG 3.22Å; E660-Q664 PolarHBondContact O-N 3.06Å; E660-F913 HydrophobicContact CB-CZ 4.24Å; E660-Q917 PolarHBondContact OE1-NE2 3.42Å; E660-Q917 VanDerWaalsContact OE1-NE2 3.16Å |
| 661 | I | 84.3 | Confident | 80.9 | Confident | 118 Ų | 118 | 56.8 Ų | 56.8 | 61% | 0.605 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.4 | -47.3 | 178 | -59.7 | 173.2 | 0 | 0 | 0 | 110.5 | L659 V663 Q664 Q665 | L659-I661 PolarHBondContact O-N 3.4Å; I661-V663 VanDerWaalsContact C-N 3.29Å; I661-V663 PolarHBondContact O-N 2.98Å; I661-Q664 PolarHBondContact O-N 3.03Å; I661-Q665 WeakPolarHBondContact O-CG 3.45Å; I661-Q665 PolarHBondContact O-N 2.74Å |
| 662 | D | 83.6 | Confident | 78.5 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 179.2 | -67.6 | -18.1 | 0 | 0 | 0 | 111.7 | L659 E660 T666 W688 | L659-D662 PolarHBondContact O-N 3.31Å; E660-D662 PolarHBondContact O-N 3.14Å; D662-T666 WeakPolarHBondContact O-CB 3.49Å; D662-T666 PolarHBondContact O-N 3.47Å; D662-T666 VanDerWaalsContact O-N 3.14Å; D662-T666 PolarHBondContact O-OG1 3.48Å; D662-W688 HydrophobicContact CB-CB 3.86Å; D662-W688 HydrophobicContact CB-CG 4Å |
| 663 | V | 84 | Confident | 76.1 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73 | -42.5 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L659 E660 I661 Q665 T666 I667 W688 F913 | L659-V663 VanDerWaalsContact O-CG2 3.27Å; L659-V663 WeakPolarHBondContact O-CG2 3.39Å; L659-V663 PolarHBondContact O-N 3.22Å; E660-V663 PolarHBondContact O-N 3.44Å; I661-V663 VanDerWaalsContact C-N 3.29Å; I661-V663 PolarHBondContact O-N 2.98Å; V663-Q665 PolarHBondContact O-N 2.9Å; V663-T666 CarbonylContact O-C 3.59Å; V663-T666 VanDerWaalsContact O-CA 3.31Å; V663-T666 WeakPolarHBondContact O-CA 3.44Å; V663-T666 WeakPolarHBondContact O-CB 3.44Å; V663-T666 PolarHBondContact O-N 3.32Å; V663-I667 HydrophobicContact CG1-CD1 3.98Å; V663-I667 HydrophobicContact CG1-CG1 4.47Å; V663-I667 WeakPolarHBondContact O-CG1 3.4Å; V663-I667 PolarHBondContact O-N 2.82Å; V663-W688 HydrophobicContact CG2-CD2 3.8Å; V663-W688 HydrophobicContact CG2-CE3 3.62Å; V663-W688 HydrophobicContact CG2-CH2 3.74Å; V663-W688 HydrophobicContact CG2-CZ2 3.9Å; V663-W688 HydrophobicContact CG2-CZ3 3.59Å; V663-F913 HydrophobicContact CB-CD1 4.39Å; V663-F913 HydrophobicContact CB-CE1 4.23Å; V663-F913 HydrophobicContact CB-CZ 4.36Å; V663-F913 HydrophobicContact CG1-CD1 3.84Å; V663-F913 HydrophobicContact CG1-CE1 4.01Å; V663-F913 HydrophobicContact CG1-CG 4.32Å; V663-F913 HydrophobicContact CG2-CD1 4.22Å; V663-F913 HydrophobicContact CG2-CD2 3.87Å; V663-F913 HydrophobicContact CG2-CE1 4.29Å; V663-F913 HydrophobicContact CG2-CE2 3.93Å; V663-F913 HydrophobicContact CG2-CG 4.01Å; V663-F913 HydrophobicContact CG2-CZ 4.15Å |
| 664 | Q | 82.2 | Confident | 74 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 41% | 0.407 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.8 | -70.5 | -65.1 | -4 | 0 | 0 | 111.9 | E660 I661 T666 I667 S668 | E660-Q664 HydrophobicContact CG-CG 4.31Å; E660-Q664 WeakPolarHBondContact O-CB 3.29Å; E660-Q664 VanDerWaalsContact O-CG 3.25Å; E660-Q664 WeakPolarHBondContact O-CG 3.22Å; E660-Q664 PolarHBondContact O-N 3.06Å; I661-Q664 PolarHBondContact O-N 3.03Å; Q664-T666 PolarHBondContact O-N 3.47Å; Q664-I667 PolarHBondContact O-N 3.05Å; Q664-S668 PolarHBondContact O-N 2.86Å; Q664-S668 PolarHBondContact O-OG 3.3Å |
| 665 | Q | 78.3 | Confident | 71.5 | Confident | 115 Ų | 115 | 69.2 Ų | 69.2 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -31.9 | 169.3 | -71.6 | 177.9 | 2.7 | 0 | 0 | 111.9 | I661 V663 S668 T669 | I661-Q665 WeakPolarHBondContact O-CG 3.45Å; I661-Q665 PolarHBondContact O-N 2.74Å; V663-Q665 PolarHBondContact O-N 2.9Å; Q665-S668 WeakPolarHBondContact CA-OG 3.43Å; Q665-S668 PolarHBondContact O-OG 3.28Å; Q665-T669 WeakPolarHBondContact O-CB 3.45Å; Q665-T669 WeakPolarHBondContact O-CG2 3.49Å; Q665-T669 PolarHBondContact O-N 2.73Å; Q665-T669 VanDerWaalsContact O-N 3.07Å; Q665-T669 PolarHBondContact O-OG1 3.44Å |
| 666 | T | 75.3 | Confident | 68.7 | Low | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.043 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.5 | -41.9 | 176.8 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | D662 V663 Q664 T669 S670 L683 K686 W688 I910 | D662-T666 WeakPolarHBondContact O-CB 3.49Å; D662-T666 PolarHBondContact O-N 3.47Å; D662-T666 VanDerWaalsContact O-N 3.14Å; D662-T666 PolarHBondContact O-OG1 3.48Å; V663-T666 CarbonylContact O-C 3.59Å; V663-T666 VanDerWaalsContact O-CA 3.31Å; V663-T666 WeakPolarHBondContact O-CA 3.44Å; V663-T666 WeakPolarHBondContact O-CB 3.44Å; V663-T666 PolarHBondContact O-N 3.32Å; Q664-T666 PolarHBondContact O-N 3.47Å; T666-T669 WeakPolarHBondContact CA-OG1 2.95Å; T666-T669 PolarHBondContact O-OG1 2.89Å; T666-T669 VanDerWaalsContact O-OG1 3.06Å; T666-S670 PolarHBondContact O-N 3.32Å; T666-S670 PolarHBondContact O-OG 3.07Å; T666-L683 HydrophobicContact CG2-CD2 4.08Å; T666-K686 HydrophobicContact CG2-CD 3.86Å; T666-K686 WeakPolarHBondContact OG1-CD 3.19Å; T666-K686 PolarHBondContact OG1-NZ 2.91Å; T666-W688 HydrophobicContact CG2-CZ2 4.29Å; T666-W688 PolarHBondContact OG1-NE1 3.25Å; T666-I910 HydrophobicContact CG2-CD1 4.19Å |
| 667 | I | 73.7 | Confident | 66.4 | Low | 22 Ų | 22 | 80.4 Ų | 80.4 | 11% | 0.113 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 177.6 | -63.8 | 164.7 | 0 | 0 | 0 | 110.8 | V663 Q664 S670 W907 I910 | V663-I667 HydrophobicContact CG1-CD1 3.98Å; V663-I667 HydrophobicContact CG1-CG1 4.47Å; V663-I667 WeakPolarHBondContact O-CG1 3.4Å; V663-I667 PolarHBondContact O-N 2.82Å; Q664-I667 PolarHBondContact O-N 3.05Å; I667-S670 PolarHBondContact O-OG 3.49Å; I667-W907 HydrophobicContact CG1-CZ3 4.37Å; I667-I910 HydrophobicContact CD1-CG2 4.08Å; I667-I910 HydrophobicContact CG1-CD1 4.12Å; I667-I910 HydrophobicContact CG1-CG2 4.26Å |
| 668 | S | 70.6 | Confident | 63.9 | Low | 76 Ų | 76 | 82.1 Ų | 82.1 | 53% | 0.531 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.7 | -33.8 | 178.7 | 36.8 | 0 | 0 | 0 | 0 | 113.1 | Q664 Q665 S670 N671 | Q664-S668 PolarHBondContact O-N 2.86Å; Q664-S668 PolarHBondContact O-OG 3.3Å; Q665-S668 WeakPolarHBondContact CA-OG 3.43Å; Q665-S668 PolarHBondContact O-OG 3.28Å; S668-S670 VanDerWaalsContact C-N 3.33Å; S668-S670 PolarHBondContact O-N 3.23Å; S668-N671 PolarHBondContact O-N 2.9Å |
| 669 | T | 65 | Low | 61.2 | Low | 63 Ų | 63 | 84.4 Ų | 84.4 | 39% | 0.387 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71 | -22.1 | 175 | 45.2 | 0 | 0 | 0 | 0 | 114.2 | Q665 T666 N671 S672 K686 | Q665-T669 WeakPolarHBondContact O-CB 3.45Å; Q665-T669 WeakPolarHBondContact O-CG2 3.49Å; Q665-T669 PolarHBondContact O-N 2.73Å; Q665-T669 VanDerWaalsContact O-N 3.07Å; Q665-T669 PolarHBondContact O-OG1 3.44Å; T666-T669 WeakPolarHBondContact CA-OG1 2.95Å; T666-T669 PolarHBondContact O-OG1 2.89Å; T666-T669 VanDerWaalsContact O-OG1 3.06Å; T669-N671 VanDerWaalsContact C-N 3.31Å; T669-S672 PolarHBondContact O-OG 3.18Å; T669-K686 PolarHBondContact OG1-NZ 3.49Å |
| 670 | S | 56.8 | Low | 58.7 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.1 | 174.7 | 48 | 0 | 0 | 0 | 0 | 114.1 | T666 I667 S668 | T666-S670 PolarHBondContact O-N 3.32Å; T666-S670 PolarHBondContact O-OG 3.07Å; I667-S670 PolarHBondContact O-OG 3.49Å; S668-S670 VanDerWaalsContact C-N 3.33Å; S668-S670 PolarHBondContact O-N 3.23Å |
| 671 | N | 52.9 | Low | 56.6 | Low | 100 Ų | 100 | 88.4 Ų | 88.4 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.9 | -174.4 | -67.7 | -7.3 | 0 | 0 | 0 | 114 | S668 T669 | S668-N671 PolarHBondContact O-N 2.9Å; T669-N671 VanDerWaalsContact C-N 3.31Å |
| 672 | S | 41.4 | Very low | 54.9 | Low | 71 Ų | 71 | 87.1 Ų | 87.1 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -82.5 | 127.9 | 179.3 | 56 | 0 | 0 | 0 | 0 | 111.9 | T669 V674 | T669-S672 PolarHBondContact O-OG 3.18Å; S672-V674 PolarHBondContact O-N 3.04Å |
| 673 | P | 42.3 | Very low | 53.3 | Low | 120 Ų | 120 | 85.8 Ų | 85.8 | 78% | 0.779 | 49% | 0.492 | S | S | * | . | trans | -64.2 | 117.9 | 176.8 | 25.1 | -31.6 | 0 | 0 | 0 | 110.5 | D675 | P673-D675 PolarHBondContact O-N 3.39Š| ||
| 674 | V | 42 | Very low | 51.6 | Low | 103 Ų | 103 | 87.2 Ų | 87.2 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | trans | -85.4 | 87.7 | -179 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | S672 Q676 | S672-V674 PolarHBondContact O-N 3.04Å; V674-Q676 VanDerWaalsContact C-N 3.31Å; V674-Q676 PolarHBondContact O-N 3.5Å | ||
| 675 | D | 36 | Very low | 50.2 | Low | 150 Ų | 150 | 91.6 Ų | 91.6 | 80% | 0.802 | 52% | 0.518 | S | S | * | . | trans | -81.5 | 76.3 | 160.8 | -78 | -30.2 | 0 | 0 | 0 | 109.2 | P673 | P673-D675 PolarHBondContact O-N 3.39Š| ||
| 676 | Q | 33.5 | Very low | 49.6 | Very low | 144 Ų | 144 | 87.5 Ų | 87.5 | 67% | 0.673 | 50% | 0.498 | S | S | * | . | trans | 176.3 | 119.1 | 153.5 | -100.1 | 162.2 | 47.5 | 0 | 0 | 111.6 | V674 T678 | V674-Q676 VanDerWaalsContact C-N 3.31Å; V674-Q676 PolarHBondContact O-N 3.5Å; Q676-T678 VanDerWaalsContact C-N 3.35Å; Q676-T678 PolarHBondContact O-N 2.86Å | ||
| 677 | P | 39.9 | Very low | 49.8 | Very low | 132 Ų | 132 | 91.3 Ų | 91.3 | 86% | 0.857 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 65.4 | -176.1 | 36.1 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 678 | T | 33.1 | Very low | 50.4 | Low | 123 Ų | 123 | 90.4 Ų | 90.4 | 76% | 0.755 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.8 | 4.5 | 169.2 | 40.5 | 0 | 0 | 0 | 0 | 116.1 | Q676 | Q676-T678 VanDerWaalsContact C-N 3.35Å; Q676-T678 PolarHBondContact O-N 2.86Å |
| 679 | Q | 33.8 | Very low | 51.2 | Low | 175 Ų | 175 | 86.9 Ų | 86.9 | 82% | 0.818 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -109 | 132.5 | 177.4 | -70.8 | -167.5 | 0.8 | 0 | 0 | 113.4 | T681 | Q679-T681 PolarHBondContact O-N 3.23Š|
| 680 | P | 36 | Very low | 52.3 | Low | 88 Ų | 88 | 86 Ų | 86 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | trans | -70.7 | 122.8 | -174.4 | 27.8 | -31.6 | 0 | 0 | 0 | 111 | V682 | P680-V682 PolarHBondContact O-N 3.45Š| ||
| 681 | T | 43.8 | Very low | 54 | Low | 65 Ų | 65 | 89.5 Ų | 89.5 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | trans | -11.5 | 116 | 165 | 37 | 0 | 0 | 0 | 0 | 115.7 | Q679 L683 T684 K750 | Q679-T681 PolarHBondContact O-N 3.23Å; T681-L683 VanDerWaalsContact C-N 3.28Å; T681-L683 PolarHBondContact O-N 3.02Å; T681-L683 VanDerWaalsContact O-N 3.07Å; T681-T684 PolarHBondContact O-OG1 3.47Å; T681-K750 VanDerWaalsContact OG1-CE 3.3Å; T681-K750 WeakPolarHBondContact OG1-CE 3.42Å; T681-K750 PolarHBondContact OG1-NZ 3.24Å | ||
| 682 | V | 48.9 | Very low | 55.9 | Low | 91 Ų | 91 | 84.8 Ų | 84.8 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -14.9 | -159.4 | 174 | 0 | 0 | 0 | 0 | 115.9 | P680 K686 | P680-V682 PolarHBondContact O-N 3.45Å; V682-K686 WeakPolarHBondContact O-CE 3.23Å |
| 683 | L | 49 | Very low | 58.3 | Low | 25 Ų | 25 | 82.2 Ų | 82.2 | 13% | 0.131 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -14.7 | -174.5 | -90.7 | 148.1 | 0 | 0 | 0 | 115.6 | T666 T681 K685 K686 E906 | T666-L683 HydrophobicContact CG2-CD2 4.08Å; T681-L683 VanDerWaalsContact C-N 3.28Å; T681-L683 PolarHBondContact O-N 3.02Å; T681-L683 VanDerWaalsContact O-N 3.07Å; L683-K685 VanDerWaalsContact C-N 3.25Å; L683-K685 PolarHBondContact O-N 2.94Å; L683-K685 VanDerWaalsContact O-N 3.09Å; L683-K686 HydrophobicContact CD2-CD 4.3Å; L683-E906 HydrophobicContact CD1-CB 3.52Å; L683-E906 HydrophobicContact CD1-CG 3.89Å |
| 684 | T | 48.4 | Very low | 60.8 | Low | 31 Ų | 31 | 81.9 Ų | 81.9 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -5.8 | -168.1 | 55 | 0 | 0 | 0 | 0 | 116.4 | T681 L747 R748 | T681-T684 PolarHBondContact O-OG1 3.47Å; T684-L747 WeakPolarHBondContact CG2-O 3.47Å; T684-R748 PolarHBondContact O-NE 3.09Å |
| 685 | K | 52.6 | Low | 63.3 | Low | 179 Ų | 179 | 77.5 Ų | 77.5 | 78% | 0.778 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | 25.2 | -175.8 | -69.9 | -171.7 | 178.7 | 179.6 | 0 | 115.1 | L683 P687 | L683-K685 VanDerWaalsContact C-N 3.25Å; L683-K685 PolarHBondContact O-N 2.94Å; L683-K685 VanDerWaalsContact O-N 3.09Å; K685-P687 VanDerWaalsContact O-CD 3.28Å; K685-P687 WeakPolarHBondContact O-CD 3.35Å |
| 686 | K | 66.8 | Low | 66.1 | Low | 28 Ų | 28 | 70.4 Ų | 70.4 | 12% | 0.122 | 39% | 0.387 | C | S | . | . | trans | -92 | 109.7 | -174 | -62.4 | -162.6 | 174.5 | -177.6 | 0 | 112.9 | T666 T669 V682 L683 W688 V689 | T666-K686 HydrophobicContact CG2-CD 3.86Å; T666-K686 WeakPolarHBondContact OG1-CD 3.19Å; T666-K686 PolarHBondContact OG1-NZ 2.91Å; T669-K686 PolarHBondContact OG1-NZ 3.49Å; V682-K686 WeakPolarHBondContact O-CE 3.23Å; L683-K686 HydrophobicContact CD2-CD 4.3Å; K686-W688 PolarHBondContact O-N 2.99Å; K686-V689 HydrophobicContact CB-CG2 4.39Å; K686-V689 PolarHBondContact O-N 3.41Å | ||
| 687 | P | 79 | Confident | 69 | Low | 87 Ų | 87 | 68.2 Ų | 68.2 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.7 | -22.3 | -175.1 | 27.5 | -35.1 | 0 | 0 | 0 | 113.5 | K685 V689 A690 K691 | K685-P687 VanDerWaalsContact O-CD 3.28Å; K685-P687 WeakPolarHBondContact O-CD 3.35Å; P687-V689 VanDerWaalsContact C-N 3.28Å; P687-V689 PolarHBondContact O-N 3.13Å; P687-A690 PolarHBondContact O-N 3.03Å; P687-K691 PolarHBondContact O-N 3.02Å |
| 688 | W | 86.9 | Confident | 71.7 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.6 | -32.5 | 179.9 | 74.3 | -105.9 | 0 | 0 | 0 | 112.6 | L659 D662 V663 T666 K686 A690 K691 L692 P909 I910 F913 | L659-W688 HydrophobicContact CD2-CB 3.81Å; D662-W688 HydrophobicContact CB-CB 3.86Å; D662-W688 HydrophobicContact CB-CG 4Å; V663-W688 HydrophobicContact CG2-CD2 3.8Å; V663-W688 HydrophobicContact CG2-CE3 3.62Å; V663-W688 HydrophobicContact CG2-CH2 3.74Å; V663-W688 HydrophobicContact CG2-CZ2 3.9Å; V663-W688 HydrophobicContact CG2-CZ3 3.59Å; T666-W688 HydrophobicContact CG2-CZ2 4.29Å; T666-W688 PolarHBondContact OG1-NE1 3.25Å; K686-W688 PolarHBondContact O-N 2.99Å; W688-A690 PolarHBondContact O-N 2.94Å; W688-K691 WeakPolarHBondContact O-CB 3.39Å; W688-K691 PolarHBondContact O-N 3.45Å; W688-L692 HydrophobicContact CZ3-CD2 3.93Å; W688-L692 PolarHBondContact O-N 2.61Å; W688-P909 HydrophobicContact CH2-CB 3.8Å; W688-P909 HydrophobicContact CZ3-CB 4.39Å; W688-I910 HydrophobicContact CH2-CG1 4.3Å; W688-I910 HydrophobicContact CZ2-CG1 4.42Å; W688-F913 HydrophobicContact CZ3-CB 4.41Å |
| 689 | V | 87.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | K686 P687 K691 L692 I693 Y744 P909 | K686-V689 HydrophobicContact CB-CG2 4.39Å; K686-V689 PolarHBondContact O-N 3.41Å; P687-V689 VanDerWaalsContact C-N 3.28Å; P687-V689 PolarHBondContact O-N 3.13Å; V689-K691 VanDerWaalsContact C-N 3.33Å; V689-K691 PolarHBondContact O-N 3.47Å; V689-L692 WeakPolarHBondContact O-CB 3.5Å; V689-L692 PolarHBondContact O-N 3.24Å; V689-I693 HydrophobicContact CG1-CD1 3.96Å; V689-I693 WeakPolarHBondContact O-CD1 3.4Å; V689-I693 VanDerWaalsContact O-CG1 3.29Å; V689-I693 WeakPolarHBondContact O-CG1 3.31Å; V689-I693 PolarHBondContact O-N 3Å; V689-Y744 HydrophobicContact CB-CD2 3.84Å; V689-Y744 HydrophobicContact CB-CE2 4.01Å; V689-Y744 HydrophobicContact CB-CG 4.45Å; V689-Y744 HydrophobicContact CG1-CD2 3.54Å; V689-Y744 HydrophobicContact CG1-CE2 4.21Å; V689-Y744 HydrophobicContact CG1-CG 3.78Å; V689-Y744 HydrophobicContact CG2-CD2 4.34Å; V689-P909 HydrophobicContact CG1-CB 4.15Å; V689-P909 HydrophobicContact CG1-CG 4.25Å; V689-P909 HydrophobicContact CG2-CB 4.18Å |
| 690 | A | 88.3 | Confident | 77.6 | Confident | 46 Ų | 46 | 51 Ų | 51 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P687 W688 I693 L694 | P687-A690 PolarHBondContact O-N 3.03Å; W688-A690 PolarHBondContact O-N 2.94Å; A690-I693 PolarHBondContact O-N 3.47Å; A690-L694 WeakPolarHBondContact O-CB 3.44Å; A690-L694 PolarHBondContact O-N 2.85Å |
| 691 | K | 91.7 | Very high | 80.4 | Confident | 117 Ų | 117 | 51.7 Ų | 51.7 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 173.5 | -66.3 | 178.4 | -178.6 | 175.2 | 0 | 111.7 | L659 P687 W688 V689 L694 G695 | L659-K691 HydrophobicContact CD1-CB 4.46Å; L659-K691 HydrophobicContact CD2-CB 3.92Å; L659-K691 HydrophobicContact CD2-CD 3.79Å; P687-K691 PolarHBondContact O-N 3.02Å; W688-K691 WeakPolarHBondContact O-CB 3.39Å; W688-K691 PolarHBondContact O-N 3.45Å; V689-K691 VanDerWaalsContact C-N 3.33Å; V689-K691 PolarHBondContact O-N 3.47Å; K691-L694 PolarHBondContact O-N 3.2Å; K691-G695 PolarHBondContact O-N 3.37Å |
| 692 | L | 92.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 176.3 | -179.9 | 62.5 | 0 | 0 | 0 | 111.7 | L655 L659 W688 V689 L694 G695 L696 I912 F913 | L655-L692 HydrophobicContact CD2-CD1 4.13Å; L659-L692 HydrophobicContact CD1-CB 4.02Å; L659-L692 HydrophobicContact CD1-CD1 4.47Å; W688-L692 HydrophobicContact CZ3-CD2 3.93Å; W688-L692 PolarHBondContact O-N 2.61Å; V689-L692 WeakPolarHBondContact O-CB 3.5Å; V689-L692 PolarHBondContact O-N 3.24Å; L692-L694 VanDerWaalsContact C-N 3.33Å; L692-L694 PolarHBondContact O-N 2.87Å; L692-G695 PolarHBondContact O-N 3.5Å; L692-L696 HydrophobicContact CD1-CD1 4.23Å; L692-L696 HydrophobicContact CD1-CG 4.32Å; L692-L696 HydrophobicContact CG-CD1 4.16Å; L692-L696 WeakPolarHBondContact O-CB 3.32Å; L692-L696 WeakPolarHBondContact O-CG 3.22Å; L692-L696 PolarHBondContact O-N 3.22Å; L692-I912 HydrophobicContact CD2-CG2 4.36Å; L692-F913 HydrophobicContact CD2-CB 4.16Å |
| 693 | I | 92.3 | Very high | 85 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 178.3 | -67.9 | 160.2 | 0 | 0 | 0 | 110.7 | V689 A690 R697 S737 C740 Y744 | V689-I693 HydrophobicContact CG1-CD1 3.96Å; V689-I693 WeakPolarHBondContact O-CD1 3.4Å; V689-I693 VanDerWaalsContact O-CG1 3.29Å; V689-I693 WeakPolarHBondContact O-CG1 3.31Å; V689-I693 PolarHBondContact O-N 3Å; A690-I693 PolarHBondContact O-N 3.47Å; I693-R697 WeakPolarHBondContact O-CB 3.2Å; I693-R697 PolarHBondContact O-N 2.83Å; I693-S737 PolarHBondContact O-OG 2.84Å; I693-C740 HydrophobicContact CG1-CB 3.89Å; I693-Y744 HydrophobicContact CD1-CD1 4.24Å; I693-Y744 HydrophobicContact CD1-CG 4.35Å |
| 694 | L | 93.7 | Very high | 87 | Confident | 113 Ų | 113 | 48.9 Ų | 48.9 | 59% | 0.592 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.3 | -48.6 | 179.1 | -179 | 61.9 | 0 | 0 | 0 | 111.1 | A690 K691 L692 L696 R697 T698 | A690-L694 WeakPolarHBondContact O-CB 3.44Å; A690-L694 PolarHBondContact O-N 2.85Å; K691-L694 PolarHBondContact O-N 3.2Å; L692-L694 VanDerWaalsContact C-N 3.33Å; L692-L694 PolarHBondContact O-N 2.87Å; L694-L696 PolarHBondContact O-N 3.07Å; L694-R697 PolarHBondContact O-N 2.86Å; L694-T698 HydrophobicContact CD1-CG2 4.17Å; L694-T698 HydrophobicContact CG-CG2 4.45Å; L694-T698 WeakPolarHBondContact O-CG2 3.16Å; L694-T698 PolarHBondContact O-N 3.26Å; L694-T698 PolarHBondContact O-OG1 3.45Å; L694-T698 VanDerWaalsContact O-OG1 3.07Å |
| 695 | G | 94.5 | Very high | 89.1 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K691 L692 T698 A699 | K691-G695 PolarHBondContact O-N 3.37Å; L692-G695 PolarHBondContact O-N 3.5Å; G695-T698 WeakPolarHBondContact CA-OG1 3.44Å; G695-T698 PolarHBondContact O-OG1 3.39Å; G695-A699 WeakPolarHBondContact O-CB 3.31Å; G695-A699 PolarHBondContact O-N 3.21Å |
| 696 | L | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 174.9 | -77.5 | 172.9 | 0 | 0 | 0 | 112.5 | L652 L692 L694 A699 S700 L733 L736 I912 V916 | L652-L696 HydrophobicContact CD2-CD2 4.3Å; L692-L696 HydrophobicContact CD1-CD1 4.23Å; L692-L696 HydrophobicContact CD1-CG 4.32Å; L692-L696 HydrophobicContact CG-CD1 4.16Å; L692-L696 WeakPolarHBondContact O-CB 3.32Å; L692-L696 WeakPolarHBondContact O-CG 3.22Å; L692-L696 PolarHBondContact O-N 3.22Å; L694-L696 PolarHBondContact O-N 3.07Å; L696-A699 PolarHBondContact O-N 2.93Å; L696-S700 WeakPolarHBondContact O-CB 3.4Å; L696-S700 PolarHBondContact O-N 2.74Å; L696-L733 HydrophobicContact CD2-CD2 3.63Å; L696-L736 HydrophobicContact CD1-CB 4.11Å; L696-I912 HydrophobicContact CD1-CG2 3.95Å; L696-V916 HydrophobicContact CD1-CG2 4.36Å; L696-V916 HydrophobicContact CD2-CG1 4.28Å; L696-V916 HydrophobicContact CD2-CG2 3.62Å; L696-V916 HydrophobicContact CG-CG2 4.37Å |
| 697 | R | 95.7 | Very high | 92 | Very high | 99 Ų | 99 | 45.9 Ų | 45.9 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 179.3 | -175.6 | 175.3 | -67 | -148.5 | -5.3 | 111.2 | I693 L694 A699 S700 E701 I734 | I693-R697 WeakPolarHBondContact O-CB 3.2Å; I693-R697 PolarHBondContact O-N 2.83Å; L694-R697 PolarHBondContact O-N 2.86Å; R697-A699 VanDerWaalsContact C-N 3.3Å; R697-A699 PolarHBondContact O-N 3.07Å; R697-S700 PolarHBondContact O-N 3.5Å; R697-E701 WeakPolarHBondContact O-CG 3.32Å; R697-E701 PolarHBondContact O-N 3.23Å; R697-I734 HydrophobicContact CG-CD1 4.41Å |
| 698 | T | 95.8 | Very high | 92.2 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 177.1 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | L694 G695 E701 E702 | L694-T698 HydrophobicContact CD1-CG2 4.17Å; L694-T698 HydrophobicContact CG-CG2 4.45Å; L694-T698 WeakPolarHBondContact O-CG2 3.16Å; L694-T698 PolarHBondContact O-N 3.26Å; L694-T698 PolarHBondContact O-OG1 3.45Å; L694-T698 VanDerWaalsContact O-OG1 3.07Å; G695-T698 WeakPolarHBondContact CA-OG1 3.44Å; G695-T698 PolarHBondContact O-OG1 3.39Å; T698-E701 PolarHBondContact O-N 3.17Å; T698-E702 WeakPolarHBondContact O-CG 3.42Å; T698-E702 PolarHBondContact O-N 3.46Å |
| 699 | A | 95.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M648 L652 G695 L696 R697 E701 E702 A703 L733 | M648-A699 HydrophobicContact CG-CB 3.88Å; M648-A699 HydrophobicContact SD-CB 4.21Å; L652-A699 HydrophobicContact CD1-CB 3.78Å; L652-A699 HydrophobicContact CD2-CB 3.69Å; L652-A699 HydrophobicContact CG-CB 3.78Å; G695-A699 WeakPolarHBondContact O-CB 3.31Å; G695-A699 PolarHBondContact O-N 3.21Å; L696-A699 PolarHBondContact O-N 2.93Å; R697-A699 VanDerWaalsContact C-N 3.3Å; R697-A699 PolarHBondContact O-N 3.07Å; A699-E701 VanDerWaalsContact C-N 3.35Å; A699-E701 PolarHBondContact O-N 3.11Å; A699-E702 PolarHBondContact O-N 3.14Å; A699-A703 WeakPolarHBondContact O-CB 3.16Å; A699-A703 PolarHBondContact O-N 3.01Å; A699-L733 HydrophobicContact CB-CD1 4Å |
| 700 | S | 95.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 112.5 | L696 R697 A703 C704 S730 I734 | L696-S700 WeakPolarHBondContact O-CB 3.4Å; L696-S700 PolarHBondContact O-N 2.74Å; R697-S700 PolarHBondContact O-N 3.5Å; S700-A703 PolarHBondContact O-N 3.21Å; S700-C704 WeakPolarHBondContact O-CB 3.35Å; S700-C704 PolarHBondContact O-N 3.38Å; S700-S730 PolarHBondContact O-OG 2.83Å; S700-S730 PolarHBondContact OG-O 2.83Å; S700-S730 PolarHBondContact OG-OG 2.99Å; S700-S730 VanDerWaalsContact OG-OG 3.07Å; S700-I734 WeakPolarHBondContact OG-CB 3.18Å |
| 701 | E | 95.4 | Very high | 91.7 | Very high | 102 Ų | 102 | 48.1 Ų | 48.1 | 48% | 0.477 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 175.7 | -71.9 | 173.2 | -166 | 0 | 0 | 112.3 | R697 T698 A699 C704 K705 | R697-E701 WeakPolarHBondContact O-CG 3.32Å; R697-E701 PolarHBondContact O-N 3.23Å; T698-E701 PolarHBondContact O-N 3.17Å; A699-E701 VanDerWaalsContact C-N 3.35Å; A699-E701 PolarHBondContact O-N 3.11Å; E701-C704 PolarHBondContact O-N 3.32Å; E701-K705 WeakPolarHBondContact O-CG 3.26Å; E701-K705 PolarHBondContact O-N 3.23Å; E701-K705 VanDerWaalsContact O-N 3.1Å |
| 702 | E | 94.7 | Very high | 90.9 | Very high | 60 Ų | 60 | 47.9 Ų | 47.9 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 172.9 | -75.3 | -176.1 | -177.5 | 0 | 0 | 110.8 | M648 K651 T698 A699 C704 K705 L706 | M648-E702 HydrophobicContact CG-CB 4.16Å; K651-E702 VanDerWaalsContact NZ-CD 3.31Å; K651-E702 IonicContact NZ-OE1 3.04Å; K651-E702 PolarHBondContact NZ-OE1 2.89Å; K651-E702 IonicContact NZ-OE2 2.59Å; K651-E702 PolarHBondContact NZ-OE2 3.45Å; T698-E702 WeakPolarHBondContact O-CG 3.42Å; T698-E702 PolarHBondContact O-N 3.46Å; A699-E702 PolarHBondContact O-N 3.14Å; E702-C704 VanDerWaalsContact C-N 3.32Å; E702-C704 PolarHBondContact O-N 3Å; E702-K705 PolarHBondContact O-N 3.49Å; E702-L706 VanDerWaalsContact O-CG 3.29Å; E702-L706 WeakPolarHBondContact O-CG 3.42Å; E702-L706 PolarHBondContact O-N 3.47Å |
| 703 | A | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M648 A699 S700 L706 Q707 I726 | M648-A703 HydrophobicContact SD-CB 3.78Å; A699-A703 WeakPolarHBondContact O-CB 3.16Å; A699-A703 PolarHBondContact O-N 3.01Å; S700-A703 PolarHBondContact O-N 3.21Å; A703-L706 WeakPolarHBondContact O-CB 3.31Å; A703-L706 PolarHBondContact O-N 3.11Å; A703-Q707 PolarHBondContact O-N 2.93Å; A703-I726 HydrophobicContact CB-CG2 4.13Å; A703-I726 WeakPolarHBondContact O-CG2 3.32Å |
| 704 | C | 92.2 | Very high | 88.8 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 42% | 0.419 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.2 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | S700 E701 E702 L706 Q707 T708 | S700-C704 WeakPolarHBondContact O-CB 3.35Å; S700-C704 PolarHBondContact O-N 3.38Å; E701-C704 PolarHBondContact O-N 3.32Å; E702-C704 VanDerWaalsContact C-N 3.32Å; E702-C704 PolarHBondContact O-N 3Å; C704-L706 VanDerWaalsContact C-N 3.35Å; C704-Q707 WeakPolarHBondContact O-CB 3.25Å; C704-Q707 PolarHBondContact O-N 3.48Å; C704-T708 PolarHBondContact O-N 3.44Å |
| 705 | K | 91.7 | Very high | 87.3 | Confident | 136 Ų | 136 | 45.2 Ų | 45.2 | 59% | 0.591 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 173.4 | -68.9 | 170.3 | -174.4 | 171.9 | 0 | 110.6 | E701 E702 Q707 T708 T709 | E701-K705 WeakPolarHBondContact O-CG 3.26Å; E701-K705 PolarHBondContact O-N 3.23Å; E701-K705 VanDerWaalsContact O-N 3.1Å; E702-K705 PolarHBondContact O-N 3.49Å; K705-Q707 VanDerWaalsContact C-N 3.34Å; K705-Q707 PolarHBondContact O-N 3.32Å; K705-T708 PolarHBondContact O-N 2.81Å; K705-T708 VanDerWaalsContact O-N 3.09Å; K705-T708 PolarHBondContact O-OG1 3.35Å; K705-T709 PolarHBondContact O-N 2.84Å; K705-T709 VanDerWaalsContact O-N 3.15Å; K705-T709 PolarHBondContact O-OG1 3.47Å |
| 706 | L | 90.6 | Very high | 85.5 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 179 | -73.5 | 165.1 | 0 | 0 | 0 | 113.8 | A641 E644 F645 E702 A703 C704 T708 T709 I710 I726 | A641-L706 HydrophobicContact CB-CD2 4.14Å; E644-L706 HydrophobicContact CB-CD1 4.3Å; E644-L706 HydrophobicContact CB-CD2 3.53Å; E644-L706 HydrophobicContact CB-CG 4.41Å; E644-L706 HydrophobicContact CG-CD2 4.47Å; E644-L706 VanDerWaalsContact OE2-CD2 3.23Å; E644-L706 WeakPolarHBondContact OE2-CD2 3.35Å; F645-L706 HydrophobicContact CB-CD1 3.79Å; F645-L706 HydrophobicContact CD2-CD1 3.89Å; F645-L706 HydrophobicContact CG-CD1 4.28Å; E702-L706 VanDerWaalsContact O-CG 3.29Å; E702-L706 WeakPolarHBondContact O-CG 3.42Å; E702-L706 PolarHBondContact O-N 3.47Å; A703-L706 WeakPolarHBondContact O-CB 3.31Å; A703-L706 PolarHBondContact O-N 3.11Å; C704-L706 VanDerWaalsContact C-N 3.35Å; L706-T708 VanDerWaalsContact C-N 3.26Å; L706-T708 PolarHBondContact O-N 3.49Å; L706-T709 PolarHBondContact O-N 2.83Å; L706-I710 PolarHBondContact O-N 2.84Å; L706-I726 HydrophobicContact CB-CG2 4.43Å |
| 707 | Q | 89.4 | Confident | 83.9 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.1 | -46.1 | 173.6 | -177.4 | -173.1 | 8.5 | 0 | 0 | 111.1 | A703 C704 K705 I710 M711 A723 I726 | A703-Q707 PolarHBondContact O-N 2.93Å; C704-Q707 WeakPolarHBondContact O-CB 3.25Å; C704-Q707 PolarHBondContact O-N 3.48Å; K705-Q707 VanDerWaalsContact C-N 3.34Å; K705-Q707 PolarHBondContact O-N 3.32Å; Q707-I710 PolarHBondContact O-N 2.8Å; Q707-M711 WeakPolarHBondContact O-CG 3.2Å; Q707-M711 PolarHBondContact O-N 3.29Å; Q707-M711 VanDerWaalsContact O-N 3.14Å; Q707-A723 HydrophobicContact CG-CB 4.1Å; Q707-I726 HydrophobicContact CB-CG2 4.14Å |
| 708 | T | 84.3 | Confident | 82.6 | Confident | 84 Ų | 84 | 50 Ų | 50 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 179.3 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | C704 K705 L706 I710 M711 C712 | C704-T708 PolarHBondContact O-N 3.44Å; K705-T708 PolarHBondContact O-N 2.81Å; K705-T708 VanDerWaalsContact O-N 3.09Å; K705-T708 PolarHBondContact O-OG1 3.35Å; L706-T708 VanDerWaalsContact C-N 3.26Å; L706-T708 PolarHBondContact O-N 3.49Å; T708-I710 PolarHBondContact O-N 3.3Å; T708-M711 PolarHBondContact O-N 3.49Å; T708-C712 PolarHBondContact O-N 3.47Å; T708-C712 VanDerWaalsContact O-N 3.14Å; T708-C712 PolarHBondContact O-SG 3.33Å |
| 709 | T | 84.5 | Confident | 81.9 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 176.5 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | F637 A641 K705 L706 M711 C712 V713 | F637-T709 HydrophobicContact CD1-CG2 4.5Å; A641-T709 HydrophobicContact CB-CG2 4.29Å; K705-T709 PolarHBondContact O-N 2.84Å; K705-T709 VanDerWaalsContact O-N 3.15Å; K705-T709 PolarHBondContact O-OG1 3.47Å; L706-T709 PolarHBondContact O-N 2.83Å; T709-M711 PolarHBondContact O-N 2.99Å; T709-C712 WeakPolarHBondContact O-CB 3.37Å; T709-C712 PolarHBondContact O-N 3.41Å; T709-C712 VanDerWaalsContact O-N 3.13Å; T709-V713 WeakPolarHBondContact O-CG2 3.45Å; T709-V713 PolarHBondContact O-N 2.94Å; T709-V713 VanDerWaalsContact O-N 3.16Å |
| 710 | I | 86.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | -179.2 | -75.6 | 165.7 | 0 | 0 | 0 | 112.1 | A641 L706 Q707 T708 C712 V713 G714 R719 Q722 A723 I726 | A641-I710 HydrophobicContact CB-CD1 4.07Å; A641-I710 HydrophobicContact CB-CG1 3.7Å; L706-I710 PolarHBondContact O-N 2.84Å; Q707-I710 PolarHBondContact O-N 2.8Å; T708-I710 PolarHBondContact O-N 3.3Å; I710-C712 VanDerWaalsContact C-N 3.27Å; I710-C712 PolarHBondContact O-N 3.38Å; I710-V713 PolarHBondContact O-N 2.89Å; I710-G714 PolarHBondContact O-N 2.83Å; I710-R719 HydrophobicContact CG2-CB 3.84Å; I710-Q722 HydrophobicContact CG2-CB 4.02Å; I710-A723 HydrophobicContact CG2-CB 4.29Å; I710-I726 HydrophobicContact CD1-CD1 3.12Å |
| 711 | M | 79.8 | Confident | 81.1 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 173.3 | -72.8 | -63.3 | -156.6 | 0 | 0 | 111.7 | Q707 T708 T709 V713 G715 A723 | Q707-M711 WeakPolarHBondContact O-CG 3.2Å; Q707-M711 PolarHBondContact O-N 3.29Å; Q707-M711 VanDerWaalsContact O-N 3.14Å; T708-M711 PolarHBondContact O-N 3.49Å; T709-M711 PolarHBondContact O-N 2.99Å; M711-V713 PolarHBondContact O-N 2.84Å; M711-G715 CarbonylContact O-C 3.6Å; M711-G715 WeakPolarHBondContact O-CA 3.15Å; M711-G715 PolarHBondContact O-N 3.19Å; M711-G715 VanDerWaalsContact O-N 3.09Å; M711-A723 HydrophobicContact CE-CB 3.41Å; M711-A723 VanDerWaalsContact CE-CB 3.41Å; M711-A723 HydrophobicContact CG-CB 3.76Å; M711-A723 HydrophobicContact SD-CB 3.58Å; M711-A723 VanDerWaalsContact SD-CB 3.58Å |
| 712 | C | 75.2 | Confident | 80.9 | Confident | 113 Ų | 113 | 47.5 Ų | 47.5 | 76% | 0.764 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.6 | -29.3 | 176.8 | -66 | 0 | 0 | 0 | 0 | 113.8 | T708 T709 I710 | T708-C712 PolarHBondContact O-N 3.47Å; T708-C712 VanDerWaalsContact O-N 3.14Å; T708-C712 PolarHBondContact O-SG 3.33Å; T709-C712 WeakPolarHBondContact O-CB 3.37Å; T709-C712 PolarHBondContact O-N 3.41Å; T709-C712 VanDerWaalsContact O-N 3.13Å; I710-C712 VanDerWaalsContact C-N 3.27Å; I710-C712 PolarHBondContact O-N 3.38Å |
| 713 | V | 76.1 | Confident | 80.7 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.2 | -43.3 | -178.6 | 169.5 | 0 | 0 | 0 | 0 | 112.9 | K634 F637 W638 T709 I710 M711 | K634-V713 HydrophobicContact CB-CG1 4.42Å; K634-V713 VanDerWaalsContact O-CG1 3.3Å; K634-V713 WeakPolarHBondContact O-CG1 3.48Å; F637-V713 HydrophobicContact CB-CG2 3.34Å; F637-V713 HydrophobicContact CG-CG2 4.49Å; W638-V713 HydrophobicContact CB-CG1 3.97Å; T709-V713 WeakPolarHBondContact O-CG2 3.45Å; T709-V713 PolarHBondContact O-N 2.94Å; T709-V713 VanDerWaalsContact O-N 3.16Å; I710-V713 PolarHBondContact O-N 2.89Å; M711-V713 PolarHBondContact O-N 2.84Å |
| 714 | G | 65.8 | Low | 80.5 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -109.3 | -7.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I710 | I710-G714 PolarHBondContact O-N 2.83Å |
| 715 | G | 61.8 | Low | 80.6 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | 68.7 | 177.7 | -159.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M711 D717 | M711-G715 CarbonylContact O-C 3.6Å; M711-G715 WeakPolarHBondContact O-CA 3.15Å; M711-G715 PolarHBondContact O-N 3.19Å; M711-G715 VanDerWaalsContact O-N 3.09Å; G715-D717 PolarHBondContact O-N 2.95Å |
| 716 | S | 57.2 | Low | 80.6 | Confident | 64 Ų | 64 | 38 Ų | 38 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.9 | -31.5 | 178.7 | 45.5 | 0 | 0 | 0 | 0 | 113 | W720 N1084 | S716-W720 WeakPolarHBondContact O-CB 3.31Å; S716-N1084 PolarHBondContact O-ND2 3.15Å |
| 717 | D | 61.2 | Low | 80.8 | Confident | 102 Ų | 102 | 39.9 Ų | 39.9 | 55% | 0.545 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -94.1 | -32.7 | -163.2 | -46 | -21.3 | 0 | 0 | 0 | 112.3 | G715 | G715-D717 PolarHBondContact O-N 2.95Å |
| 718 | G | 68.5 | Low | 81 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 46% | 0.464 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -81.7 | -28.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 719 | R | 80.1 | Confident | 81.5 | Confident | 88 Ų | 88 | 34.6 Ų | 34.6 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -133 | 24.3 | -170 | -61.5 | -64.6 | -174.7 | -152.6 | 0.5 | 114 | W638 I710 F721 Q722 A723 | W638-R719 HydrophobicContact CZ3-CG 4.44Å; I710-R719 HydrophobicContact CG2-CB 3.84Å; R719-F721 VanDerWaalsContact C-N 3.33Å; R719-F721 PolarHBondContact O-N 2.97Å; R719-Q722 PolarHBondContact O-N 3.35Å; R719-Q722 PolarHBondContact O-OE1 3.13Å; R719-A723 PolarHBondContact O-N 3.48Å; R719-A723 VanDerWaalsContact O-N 3.13Å |
| 720 | W | 84.6 | Confident | 82 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 4% | 0.038 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | -176.2 | 72.6 | -95 | 0 | 0 | 0 | 112.5 | S716 Q722 A723 K724 L814 Q817 N1084 A1085 | S716-W720 WeakPolarHBondContact O-CB 3.31Å; W720-Q722 VanDerWaalsContact C-N 3.35Å; W720-Q722 PolarHBondContact O-N 2.98Å; W720-A723 PolarHBondContact O-N 2.97Å; W720-K724 HydrophobicContact CE3-CB 4.5Å; W720-K724 HydrophobicContact CE3-CG 4.17Å; W720-K724 WeakPolarHBondContact O-CB 3.47Å; W720-K724 PolarHBondContact O-N 3.42Å; W720-L814 HydrophobicContact CH2-CD1 4.21Å; W720-L814 HydrophobicContact CZ3-CD1 3.59Å; W720-Q817 HydrophobicContact CH2-CB 3.62Å; W720-Q817 HydrophobicContact CZ3-CB 3.97Å; W720-N1084 HydrophobicContact CB-CB 3.88Å; W720-N1084 HydrophobicContact CG-CB 3.82Å; W720-N1084 PolarHBondContact NE1-O 2.78Å; W720-A1085 HydrophobicContact CH2-CB 4.22Å; W720-A1085 HydrophobicContact CZ2-CB 3.62Å |
| 721 | F | 90.1 | Very high | 82.5 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | -178.5 | 173.9 | -93.9 | 0 | 0 | 0 | 110.8 | R719 A723 K724 Y725 L814 C818 T825 P923 F925 F926 | R719-F721 VanDerWaalsContact C-N 3.33Å; R719-F721 PolarHBondContact O-N 2.97Å; F721-A723 VanDerWaalsContact C-N 3.34Å; F721-A723 PolarHBondContact O-N 2.95Å; F721-K724 PolarHBondContact O-N 2.81Å; F721-Y725 VanDerWaalsContact O-CB 3.23Å; F721-Y725 WeakPolarHBondContact O-CB 3.3Å; F721-Y725 PolarHBondContact O-N 3.39Å; F721-L814 HydrophobicContact CD2-CD1 3.93Å; F721-L814 HydrophobicContact CE2-CD1 4.2Å; F721-L814 HydrophobicContact CE2-CD2 4.23Å; F721-L814 HydrophobicContact CE2-CG 4.47Å; F721-C818 VanDerWaalsContact CE2-SG 3.53Å; F721-T825 HydrophobicContact CZ-CG2 4.26Å; F721-P923 HydrophobicContact CE1-CG 4.12Å; F721-P923 HydrophobicContact CZ-CG 4Å; F721-F925 HydrophobicContact CB-CD1 4.47Å; F721-F925 HydrophobicContact CB-CE1 4.27Å; F721-F925 AromaticContact CD1-CD1 3.84Å; F721-F925 HydrophobicContact CD1-CD1 3.84Å; F721-F925 HydrophobicContact CD1-CE1 4.46Å; F721-F925 AromaticContact CD2-CD1 3.56Å; F721-F925 HydrophobicContact CD2-CD1 3.56Å; F721-F925 AromaticContact CD2-CE1 3.75Å; F721-F925 HydrophobicContact CD2-CE1 3.75Å; F721-F925 HydrophobicContact CE1-CB 4.33Å; F721-F925 AromaticContact CE1-CD1 3.93Å; F721-F925 HydrophobicContact CE1-CD1 3.93Å; F721-F925 AromaticContact CE2-CD1 3.66Å; F721-F925 HydrophobicContact CE2-CD1 3.66Å; F721-F925 HydrophobicContact CE2-CE1 4.24Å; F721-F925 AromaticContact CG-CD1 3.66Å; F721-F925 HydrophobicContact CG-CD1 3.66Å; F721-F925 AromaticContact CG-CE1 3.88Å; F721-F925 HydrophobicContact CG-CE1 3.88Å; F721-F925 HydrophobicContact CZ-CB 4.36Å; F721-F925 AromaticContact CZ-CD1 3.84Å; F721-F925 HydrophobicContact CZ-CD1 3.84Å; F721-F926 HydrophobicContact CD1-CD2 4.47Å; F721-F926 HydrophobicContact CE1-CB 4Å; F721-F926 HydrophobicContact CE1-CD2 4.21Å |
| 722 | Q | 91 | Very high | 83.2 | Confident | 14 Ų | 14 | 32.3 Ų | 32.3 | 7% | 0.065 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 179.1 | -65.4 | 84.4 | -3.5 | 0 | 0 | 110.9 | W638 I710 R719 W720 I726 F926 | W638-Q722 HydrophobicContact CH2-CG 3.97Å; W638-Q722 HydrophobicContact CZ3-CG 4.29Å; I710-Q722 HydrophobicContact CG2-CB 4.02Å; R719-Q722 PolarHBondContact O-N 3.35Å; R719-Q722 PolarHBondContact O-OE1 3.13Å; W720-Q722 VanDerWaalsContact C-N 3.35Å; W720-Q722 PolarHBondContact O-N 2.98Å; Q722-I726 WeakPolarHBondContact O-CB 3.35Å; Q722-I726 WeakPolarHBondContact O-CD1 3.25Å; Q722-I726 VanDerWaalsContact O-CG1 3.24Å; Q722-I726 WeakPolarHBondContact O-CG1 3.3Å; Q722-I726 PolarHBondContact O-N 3.16Å; Q722-F926 HydrophobicContact CB-CD2 4.15Å; Q722-F926 HydrophobicContact CB-CE1 4.37Å; Q722-F926 HydrophobicContact CB-CE2 3.57Å; Q722-F926 HydrophobicContact CB-CZ 3.7Å; Q722-F926 HydrophobicContact CG-CD1 3.98Å; Q722-F926 HydrophobicContact CG-CD2 3.79Å; Q722-F926 HydrophobicContact CG-CE1 3.81Å; Q722-F926 HydrophobicContact CG-CE2 3.62Å; Q722-F926 HydrophobicContact CG-CG 3.97Å; Q722-F926 HydrophobicContact CG-CZ 3.63Å; Q722-F926 PolarHBondContact NE2-O 3.27Å |
| 723 | A | 89.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q707 I710 M711 R719 W720 F721 I726 Q727 | Q707-A723 HydrophobicContact CG-CB 4.1Å; I710-A723 HydrophobicContact CG2-CB 4.29Å; M711-A723 HydrophobicContact CE-CB 3.41Å; M711-A723 VanDerWaalsContact CE-CB 3.41Å; M711-A723 HydrophobicContact CG-CB 3.76Å; M711-A723 HydrophobicContact SD-CB 3.58Å; M711-A723 VanDerWaalsContact SD-CB 3.58Å; R719-A723 PolarHBondContact O-N 3.48Å; R719-A723 VanDerWaalsContact O-N 3.13Å; W720-A723 PolarHBondContact O-N 2.97Å; F721-A723 VanDerWaalsContact C-N 3.34Å; F721-A723 PolarHBondContact O-N 2.95Å; A723-I726 PolarHBondContact O-N 3.5Å; A723-Q727 WeakPolarHBondContact O-CB 3.32Å; A723-Q727 PolarHBondContact O-N 3.47Å |
| 724 | K | 90.9 | Very high | 85.1 | Confident | 60 Ų | 60 | 28.4 Ų | 28.4 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 177.1 | -80.8 | -59.4 | -162.3 | 172 | 0 | 112.9 | W720 F721 Q727 I728 E810 L814 | W720-K724 HydrophobicContact CE3-CB 4.5Å; W720-K724 HydrophobicContact CE3-CG 4.17Å; W720-K724 WeakPolarHBondContact O-CB 3.47Å; W720-K724 PolarHBondContact O-N 3.42Å; F721-K724 PolarHBondContact O-N 2.81Å; K724-Q727 VanDerWaalsContact CD-OE1 3.25Å; K724-Q727 VanDerWaalsContact O-CB 3.3Å; K724-Q727 WeakPolarHBondContact O-CB 3.42Å; K724-Q727 PolarHBondContact O-N 3.33Å; K724-I728 WeakPolarHBondContact O-CG1 3.34Å; K724-I728 PolarHBondContact O-N 3.44Å; K724-E810 IonicContact NZ-OE2 2.68Å; K724-E810 PolarHBondContact NZ-OE2 2.76Å; K724-L814 HydrophobicContact CB-CD1 3.91Å |
| 725 | Y | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 174.6 | 178 | -99.1 | 0 | 0 | 0 | 111.2 | F645 F721 Q727 I728 R729 H828 L829 I832 P923 F926 | F645-Y725 HydrophobicContact CE1-CE1 4.44Å; F721-Y725 VanDerWaalsContact O-CB 3.23Å; F721-Y725 WeakPolarHBondContact O-CB 3.3Å; F721-Y725 PolarHBondContact O-N 3.39Å; Y725-Q727 VanDerWaalsContact C-N 3.28Å; Y725-Q727 PolarHBondContact O-N 3.25Å; Y725-I728 PolarHBondContact O-N 3.43Å; Y725-R729 HydrophobicContact CD1-CG 4.2Å; Y725-R729 HydrophobicContact CE1-CG 3.78Å; Y725-R729 WeakPolarHBondContact O-CG 3.49Å; Y725-R729 PolarHBondContact O-N 2.93Å; Y725-H828 AromaticContact CE2-NE2 3.65Å; Y725-H828 AromaticContact CZ-NE2 3.81Å; Y725-H828 PolarHBondContact OH-NE2 2.99Å; Y725-H828 VanDerWaalsContact OH-NE2 3.1Å; Y725-L829 HydrophobicContact CD2-CD2 4.39Å; Y725-I832 HydrophobicContact CE2-CD1 4.39Å; Y725-P923 HydrophobicContact CD2-CG 4.06Å; Y725-P923 HydrophobicContact CE2-CG 3.82Å; Y725-F926 AromaticContact CD1-CD2 3.82Å; Y725-F926 HydrophobicContact CD1-CD2 3.82Å; Y725-F926 AromaticContact CD1-CE2 3.91Å; Y725-F926 HydrophobicContact CD1-CE2 3.91Å; Y725-F926 HydrophobicContact CG-CD2 4.34Å |
| 726 | I | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 175.9 | -69.9 | 166.7 | 0 | 0 | 0 | 111.3 | F645 A703 L706 Q707 I710 Q722 A723 R729 S730 F926 | F645-I726 HydrophobicContact CD1-CD1 4.26Å; F645-I726 HydrophobicContact CD1-CG1 4.2Å; F645-I726 HydrophobicContact CD2-CG1 4.48Å; F645-I726 HydrophobicContact CE1-CG1 3.99Å; F645-I726 HydrophobicContact CE2-CG1 4.18Å; F645-I726 HydrophobicContact CE2-CG2 4.44Å; F645-I726 HydrophobicContact CG-CD1 4.47Å; F645-I726 HydrophobicContact CZ-CG1 4Å; A703-I726 HydrophobicContact CB-CG2 4.13Å; A703-I726 WeakPolarHBondContact O-CG2 3.32Å; L706-I726 HydrophobicContact CB-CG2 4.43Å; Q707-I726 HydrophobicContact CB-CG2 4.14Å; I710-I726 HydrophobicContact CD1-CD1 3.12Å; Q722-I726 WeakPolarHBondContact O-CB 3.35Å; Q722-I726 WeakPolarHBondContact O-CD1 3.25Å; Q722-I726 VanDerWaalsContact O-CG1 3.24Å; Q722-I726 WeakPolarHBondContact O-CG1 3.3Å; Q722-I726 PolarHBondContact O-N 3.16Å; A723-I726 PolarHBondContact O-N 3.5Å; I726-R729 PolarHBondContact O-N 2.98Å; I726-S730 WeakPolarHBondContact O-CB 3.11Å; I726-S730 PolarHBondContact O-N 3.15Å; I726-F926 HydrophobicContact CD1-CE2 4.26Å; I726-F926 HydrophobicContact CD1-CZ 4.18Å; I726-F926 HydrophobicContact CG1-CE2 4.3Å |
| 727 | Q | 93.8 | Very high | 89.8 | Confident | 41 Ų | 41 | 22.9 Ų | 22.9 | 19% | 0.192 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 171.9 | -167.6 | -172.8 | -12 | 0 | 0 | 111.3 | A723 K724 Y725 R729 S730 L731 | A723-Q727 WeakPolarHBondContact O-CB 3.32Å; A723-Q727 PolarHBondContact O-N 3.47Å; K724-Q727 VanDerWaalsContact CD-OE1 3.25Å; K724-Q727 VanDerWaalsContact O-CB 3.3Å; K724-Q727 WeakPolarHBondContact O-CB 3.42Å; K724-Q727 PolarHBondContact O-N 3.33Å; Y725-Q727 VanDerWaalsContact C-N 3.28Å; Y725-Q727 PolarHBondContact O-N 3.25Å; Q727-R729 VanDerWaalsContact C-N 3.3Å; Q727-R729 PolarHBondContact O-N 2.78Å; Q727-S730 WeakPolarHBondContact O-CB 3.15Å; Q727-S730 PolarHBondContact O-N 3.15Å; Q727-L731 HydrophobicContact CG-CD1 4.14Å; Q727-L731 HydrophobicContact CG-CG 4.45Å; Q727-L731 WeakPolarHBondContact O-CB 3.16Å; Q727-L731 WeakPolarHBondContact O-CG 3.05Å; Q727-L731 PolarHBondContact O-N 3.14Å |
| 728 | I | 94.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 177.2 | -71.3 | 173.6 | 0 | 0 | 0 | 110.7 | K724 Y725 L731 L732 L807 I811 L814 I832 | K724-I728 WeakPolarHBondContact O-CG1 3.34Å; K724-I728 PolarHBondContact O-N 3.44Å; Y725-I728 PolarHBondContact O-N 3.43Å; I728-L731 PolarHBondContact O-N 3.13Å; I728-L732 WeakPolarHBondContact O-CB 3.39Å; I728-L732 PolarHBondContact O-N 3.01Å; I728-L807 HydrophobicContact CG2-CD1 4.24Å; I728-I811 HydrophobicContact CD1-CB 4.43Å; I728-I811 HydrophobicContact CD1-CG1 3.93Å; I728-I811 HydrophobicContact CG1-CG1 4.24Å; I728-I811 HydrophobicContact CG2-CD1 4.35Å; I728-I811 HydrophobicContact CG2-CG1 3.79Å; I728-L814 HydrophobicContact CD1-CB 3.82Å; I728-L814 HydrophobicContact CD1-CD2 3.27Å; I728-L814 HydrophobicContact CD1-CG 4.15Å; I728-I832 HydrophobicContact CG2-CG2 4.41Å |
| 729 | R | 93.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 175.1 | -66.2 | -71.4 | -66.7 | 150.3 | -8.5 | 111.3 | F645 E649 Y725 I726 Q727 L731 L732 L733 Y879 T920 | F645-R729 HydrophobicContact CZ-CB 4.38Å; F645-R729 HydrophobicContact CZ-CG 4.14Å; E649-R729 IonicContact OE1-CZ 3.64Å; E649-R729 IonicContact OE1-NE 3.22Å; E649-R729 PolarHBondContact OE1-NE 3.31Å; E649-R729 VanDerWaalsContact OE1-NE 3.13Å; E649-R729 IonicContact OE1-NH2 2.8Å; E649-R729 PolarHBondContact OE1-NH2 3.14Å; E649-R729 IonicContact OE2-NH2 3.93Å; E649-R729 PolarHBondContact OE2-NH2 3.33Å; Y725-R729 HydrophobicContact CD1-CG 4.2Å; Y725-R729 HydrophobicContact CE1-CG 3.78Å; Y725-R729 WeakPolarHBondContact O-CG 3.49Å; Y725-R729 PolarHBondContact O-N 2.93Å; I726-R729 PolarHBondContact O-N 2.98Å; Q727-R729 VanDerWaalsContact C-N 3.3Å; Q727-R729 PolarHBondContact O-N 2.78Å; R729-L731 PolarHBondContact O-N 2.83Å; R729-L732 PolarHBondContact O-N 3.23Å; R729-L733 VanDerWaalsContact O-CG 3.26Å; R729-L733 WeakPolarHBondContact O-CG 3.46Å; R729-L733 PolarHBondContact O-N 2.83Å; R729-Y879 PolarHBondContact NH1-OH 3.26Å; R729-T920 PolarHBondContact NH2-OG1 3.16Å |
| 730 | S | 95.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 14.4 Ų | 14.4 | 8% | 0.077 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | S700 I726 Q727 L733 I734 | S700-S730 PolarHBondContact O-OG 2.83Å; S700-S730 PolarHBondContact OG-O 2.83Å; S700-S730 PolarHBondContact OG-OG 2.99Å; S700-S730 VanDerWaalsContact OG-OG 3.07Å; I726-S730 WeakPolarHBondContact O-CB 3.11Å; I726-S730 PolarHBondContact O-N 3.15Å; Q727-S730 WeakPolarHBondContact O-CB 3.15Å; Q727-S730 PolarHBondContact O-N 3.15Å; S730-L733 PolarHBondContact O-N 2.82Å; S730-I734 WeakPolarHBondContact O-CG2 3.48Å; S730-I734 PolarHBondContact O-N 2.95Å |
| 731 | L | 96 | Very high | 92.7 | Very high | 41 Ų | 41 | 14.9 Ų | 14.9 | 22% | 0.215 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 179 | -72.6 | 175.2 | 0 | 0 | 0 | 112.7 | Q727 I728 R729 I734 N735 L807 E810 | Q727-L731 HydrophobicContact CG-CD1 4.14Å; Q727-L731 HydrophobicContact CG-CG 4.45Å; Q727-L731 WeakPolarHBondContact O-CB 3.16Å; Q727-L731 WeakPolarHBondContact O-CG 3.05Å; Q727-L731 PolarHBondContact O-N 3.14Å; I728-L731 PolarHBondContact O-N 3.13Å; R729-L731 PolarHBondContact O-N 2.83Å; L731-I734 VanDerWaalsContact O-CG2 3.24Å; L731-I734 WeakPolarHBondContact O-CG2 3.49Å; L731-N735 VanDerWaalsContact O-CB 3.3Å; L731-N735 WeakPolarHBondContact O-CB 3.4Å; L731-N735 PolarHBondContact O-N 3.39Å; L731-L807 HydrophobicContact CB-CD1 3.78Å; L731-L807 HydrophobicContact CD1-CD1 4.46Å; L731-E810 HydrophobicContact CD1-CG 4.28Å |
| 732 | L | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.7 | -49.2 | 173.6 | 178.6 | 62.9 | 0 | 0 | 0 | 110.7 | I728 R729 I734 N735 L736 W804 L807 L835 | I728-L732 WeakPolarHBondContact O-CB 3.39Å; I728-L732 PolarHBondContact O-N 3.01Å; R729-L732 PolarHBondContact O-N 3.23Å; L732-I734 PolarHBondContact O-N 2.9Å; L732-N735 PolarHBondContact O-N 3.17Å; L732-L736 HydrophobicContact CD1-CD1 4.22Å; L732-L736 HydrophobicContact CD1-CG 4.35Å; L732-L736 HydrophobicContact CG-CD1 4.09Å; L732-L736 WeakPolarHBondContact O-CB 3.45Å; L732-L736 VanDerWaalsContact O-CG 3.28Å; L732-L736 WeakPolarHBondContact O-CG 3.25Å; L732-L736 PolarHBondContact O-N 2.86Å; L732-W804 HydrophobicContact CD1-CH2 4.18Å; L732-W804 HydrophobicContact CD1-CZ3 4.04Å; L732-L807 HydrophobicContact CB-CD2 4.16Å; L732-L807 HydrophobicContact CD1-CD2 4.05Å; L732-L835 HydrophobicContact CD1-CD2 4.46Å; L732-L835 HydrophobicContact CD2-CD2 4.46Å |
| 733 | L | 95.2 | Very high | 91.7 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | -178.7 | -67.6 | 172.1 | 0 | 0 | 0 | 112.6 | L652 L696 A699 R729 S730 S737 | L652-L733 HydrophobicContact CD1-CD1 3.91Å; L652-L733 HydrophobicContact CD1-CD2 3.79Å; L696-L733 HydrophobicContact CD2-CD2 3.63Å; A699-L733 HydrophobicContact CB-CD1 4Å; R729-L733 VanDerWaalsContact O-CG 3.26Å; R729-L733 WeakPolarHBondContact O-CG 3.46Å; R729-L733 PolarHBondContact O-N 2.83Å; S730-L733 PolarHBondContact O-N 2.82Å; L733-S737 WeakPolarHBondContact O-CB 3.4Å; L733-S737 PolarHBondContact O-N 2.78Å |
| 734 | I | 95.5 | Very high | 91.1 | Very high | 39 Ų | 39 | 17 Ų | 17 | 20% | 0.2 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.1 | -37.6 | 177 | -167.7 | 61 | 0 | 0 | 0 | 112.2 | R697 S700 S730 L731 L732 S737 N738 | R697-I734 HydrophobicContact CG-CD1 4.41Å; S700-I734 WeakPolarHBondContact OG-CB 3.18Å; S730-I734 WeakPolarHBondContact O-CG2 3.48Å; S730-I734 PolarHBondContact O-N 2.95Å; L731-I734 VanDerWaalsContact O-CG2 3.24Å; L731-I734 WeakPolarHBondContact O-CG2 3.49Å; L732-I734 PolarHBondContact O-N 2.9Å; I734-S737 PolarHBondContact O-N 2.75Å; I734-N738 VanDerWaalsContact O-CB 3.32Å; I734-N738 WeakPolarHBondContact O-CB 3.24Å; I734-N738 PolarHBondContact O-N 2.84Å; I734-N738 PolarHBondContact O-ND2 2.91Å |
| 735 | N | 95 | Very high | 90.2 | Very high | 9 Ų | 9 | 19.1 Ų | 19.1 | 5% | 0.048 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 175 | -82 | -16.7 | 0 | 0 | 0 | 111.2 | L731 L732 N738 L739 S803 W804 | L731-N735 VanDerWaalsContact O-CB 3.3Å; L731-N735 WeakPolarHBondContact O-CB 3.4Å; L731-N735 PolarHBondContact O-N 3.39Å; L732-N735 PolarHBondContact O-N 3.17Å; N735-N738 PolarHBondContact O-N 3.03Å; N735-L739 WeakPolarHBondContact O-CB 2.74Å; N735-L739 PolarHBondContact O-N 2.97Å; N735-S803 PolarHBondContact ND2-O 3.5Å; N735-S803 VanDerWaalsContact OD1-CB 3.25Å; N735-S803 WeakPolarHBondContact OD1-CB 3.49Å; N735-S803 PolarHBondContact OD1-OG 3.47Å; N735-W804 HydrophobicContact CB-CD2 4.25Å; N735-W804 HydrophobicContact CB-CH2 4.46Å; N735-W804 HydrophobicContact CB-CZ2 3.97Å |
| 736 | L | 94.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 171.8 | -69.9 | 171.5 | 0 | 0 | 0 | 111.9 | L696 L732 L739 C740 W804 F839 I912 V915 V916 | L696-L736 HydrophobicContact CD1-CB 4.11Å; L732-L736 HydrophobicContact CD1-CD1 4.22Å; L732-L736 HydrophobicContact CD1-CG 4.35Å; L732-L736 HydrophobicContact CG-CD1 4.09Å; L732-L736 WeakPolarHBondContact O-CB 3.45Å; L732-L736 VanDerWaalsContact O-CG 3.28Å; L732-L736 WeakPolarHBondContact O-CG 3.25Å; L732-L736 PolarHBondContact O-N 2.86Å; L736-L739 PolarHBondContact O-N 2.76Å; L736-C740 VanDerWaalsContact O-CB 3.24Å; L736-C740 WeakPolarHBondContact O-CB 3.45Å; L736-C740 PolarHBondContact O-N 3.46Å; L736-W804 HydrophobicContact CD2-CH2 3.74Å; L736-W804 HydrophobicContact CD2-CZ2 4.05Å; L736-W804 HydrophobicContact CG-CH2 4.16Å; L736-W804 HydrophobicContact CG-CZ2 4.48Å; L736-F839 HydrophobicContact CD2-CD2 4.46Å; L736-F839 HydrophobicContact CD2-CE1 4.16Å; L736-F839 HydrophobicContact CD2-CE2 3.72Å; L736-F839 HydrophobicContact CD2-CZ 3.54Å; L736-I912 HydrophobicContact CB-CG2 4.07Å; L736-I912 HydrophobicContact CD2-CG1 4.02Å; L736-I912 HydrophobicContact CD2-CG2 4.16Å; L736-V915 HydrophobicContact CD1-CG1 4.1Å; L736-V916 HydrophobicContact CD1-CG2 4.5Å |
| 737 | S | 94 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | I693 L733 I734 C740 S741 | I693-S737 PolarHBondContact O-OG 2.84Å; L733-S737 WeakPolarHBondContact O-CB 3.4Å; L733-S737 PolarHBondContact O-N 2.78Å; I734-S737 PolarHBondContact O-N 2.75Å; S737-C740 PolarHBondContact O-N 3.29Å; S737-S741 VanDerWaalsContact O-CB 3.25Å; S737-S741 WeakPolarHBondContact O-CB 3.48Å; S737-S741 PolarHBondContact O-N 3.45Å |
| 738 | N | 91.6 | Very high | 85.8 | Confident | 55 Ų | 55 | 26.7 Ų | 26.7 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64.4 | -44.6 | -179.8 | -72 | -17.9 | 0 | 0 | 0 | 111 | I734 N735 S741 T742 | I734-N738 VanDerWaalsContact O-CB 3.32Å; I734-N738 WeakPolarHBondContact O-CB 3.24Å; I734-N738 PolarHBondContact O-N 2.84Å; I734-N738 PolarHBondContact O-ND2 2.91Å; N735-N738 PolarHBondContact O-N 3.03Å; N738-S741 PolarHBondContact O-N 2.92Å; N738-T742 WeakPolarHBondContact O-CG2 3.38Å; N738-T742 PolarHBondContact O-N 2.94Å; N738-T742 PolarHBondContact O-OG1 3.23Å |
| 739 | L | 89.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 177.1 | -175.3 | 58.4 | 0 | 0 | 0 | 112 | N735 L736 T742 A743 W804 F839 L843 L908 I912 | N735-L739 WeakPolarHBondContact O-CB 2.74Å; N735-L739 PolarHBondContact O-N 2.97Å; L736-L739 PolarHBondContact O-N 2.76Å; L739-T742 PolarHBondContact O-OG1 3.21Å; L739-T742 VanDerWaalsContact O-OG1 3.04Å; L739-A743 WeakPolarHBondContact O-CB 3.38Å; L739-A743 PolarHBondContact O-N 3.22Å; L739-A743 VanDerWaalsContact O-N 3.1Å; L739-W804 HydrophobicContact CD2-CZ2 3.85Å; L739-F839 HydrophobicContact CD2-CD1 3.61Å; L739-F839 HydrophobicContact CD2-CE1 3.92Å; L739-L843 HydrophobicContact CD1-CD2 3.69Å; L739-L908 HydrophobicContact CD1-CD2 3.55Å; L739-L908 HydrophobicContact CD2-CD1 4.06Å; L739-L908 HydrophobicContact CD2-CD2 4.14Å; L739-L908 HydrophobicContact CD2-CG 4.39Å; L739-L908 HydrophobicContact CG-CD1 4.32Å; L739-L908 HydrophobicContact CG-CD2 3.51Å; L739-L908 HydrophobicContact CG-CG 4.12Å; L739-I912 HydrophobicContact CB-CD1 4.16Å; L739-I912 HydrophobicContact CD2-CD1 4.23Å; L739-I912 HydrophobicContact CG-CD1 4.07Å |
| 740 | C | 88.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.6 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | I693 L736 S737 Y744 I912 | I693-C740 HydrophobicContact CG1-CB 3.89Å; L736-C740 VanDerWaalsContact O-CB 3.24Å; L736-C740 WeakPolarHBondContact O-CB 3.45Å; L736-C740 PolarHBondContact O-N 3.46Å; S737-C740 PolarHBondContact O-N 3.29Å; C740-Y744 WeakPolarHBondContact O-CB 3.3Å; C740-Y744 PolarHBondContact O-N 3.23Å; C740-I912 HydrophobicContact CB-CD1 3.63Å |
| 741 | S | 86.7 | Confident | 78.2 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -48.5 | 178.6 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | S737 N738 A743 Y744 H745 | S737-S741 VanDerWaalsContact O-CB 3.25Å; S737-S741 WeakPolarHBondContact O-CB 3.48Å; S737-S741 PolarHBondContact O-N 3.45Å; N738-S741 PolarHBondContact O-N 2.92Å; S741-A743 PolarHBondContact O-N 3.39Å; S741-Y744 PolarHBondContact O-N 3.42Å; S741-H745 WeakPolarHBondContact O-CB 3.44Å; S741-H745 PolarHBondContact O-CD2 3.46Å; S741-H745 PolarHBondContact O-N 3.19Å; S741-H745 PolarHBondContact OG-CD2 3Å |
| 742 | T | 81.5 | Confident | 75 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 24% | 0.239 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | N738 L739 H745 A746 W796 | N738-T742 WeakPolarHBondContact O-CG2 3.38Å; N738-T742 PolarHBondContact O-N 2.94Å; N738-T742 PolarHBondContact O-OG1 3.23Å; L739-T742 PolarHBondContact O-OG1 3.21Å; L739-T742 VanDerWaalsContact O-OG1 3.04Å; T742-H745 PolarHBondContact O-N 2.92Å; T742-A746 WeakPolarHBondContact O-CB 3.11Å; T742-A746 PolarHBondContact O-N 3.22Å; T742-W796 HydrophobicContact CG2-CE3 4.42Å |
| 743 | A | 78.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L739 S741 H745 A746 L747 L908 | L739-A743 WeakPolarHBondContact O-CB 3.38Å; L739-A743 PolarHBondContact O-N 3.22Å; L739-A743 VanDerWaalsContact O-N 3.1Å; S741-A743 PolarHBondContact O-N 3.39Å; A743-H745 VanDerWaalsContact C-N 3.34Å; A743-H745 PolarHBondContact O-N 3.03Å; A743-A746 PolarHBondContact O-N 2.93Å; A743-L747 VanDerWaalsContact O-CG 3.23Å; A743-L747 WeakPolarHBondContact O-CG 3.43Å; A743-L747 PolarHBondContact O-N 3.15Å; A743-L747 VanDerWaalsContact O-N 3.08Å; A743-L908 HydrophobicContact CB-CB 4.17Å; A743-L908 HydrophobicContact CB-CD2 3.56Å; A743-L908 HydrophobicContact CB-CG 4.36Å |
| 744 | Y | 76.6 | Confident | 68.6 | Low | 24 Ų | 24 | 63.4 Ų | 63.4 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 179 | -179.7 | -111.7 | 0 | 0 | 0 | 112.7 | V689 I693 C740 S741 | V689-Y744 HydrophobicContact CB-CD2 3.84Å; V689-Y744 HydrophobicContact CB-CE2 4.01Å; V689-Y744 HydrophobicContact CB-CG 4.45Å; V689-Y744 HydrophobicContact CG1-CD2 3.54Å; V689-Y744 HydrophobicContact CG1-CE2 4.21Å; V689-Y744 HydrophobicContact CG1-CG 3.78Å; V689-Y744 HydrophobicContact CG2-CD2 4.34Å; I693-Y744 HydrophobicContact CD1-CD1 4.24Å; I693-Y744 HydrophobicContact CD1-CG 4.35Å; C740-Y744 WeakPolarHBondContact O-CB 3.3Å; C740-Y744 PolarHBondContact O-N 3.23Å; S741-Y744 PolarHBondContact O-N 3.42Å |
| 745 | H | 72 | Confident | 65.5 | Low | 103 Ų | 103 | 64.6 Ų | 64.6 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.3 | -41.2 | 177.5 | -77.5 | -68.3 | 0 | 0 | 0 | 112.7 | S741 T742 A743 L747 R748 I749 | S741-H745 WeakPolarHBondContact O-CB 3.44Å; S741-H745 PolarHBondContact O-CD2 3.46Å; S741-H745 PolarHBondContact O-N 3.19Å; S741-H745 PolarHBondContact OG-CD2 3Å; T742-H745 PolarHBondContact O-N 2.92Å; A743-H745 VanDerWaalsContact C-N 3.34Å; A743-H745 PolarHBondContact O-N 3.03Å; H745-L747 PolarHBondContact O-N 3.02Å; H745-R748 PolarHBondContact O-N 3.25Å; H745-R748 VanDerWaalsContact O-N 3.1Å; H745-I749 PolarHBondContact O-N 2.84Å |
| 746 | A | 66.3 | Low | 62.5 | Low | 32 Ų | 32 | 71.7 Ų | 71.7 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -37 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T742 A743 R748 I749 | T742-A746 WeakPolarHBondContact O-CB 3.11Å; T742-A746 PolarHBondContact O-N 3.22Å; A743-A746 PolarHBondContact O-N 2.93Å; A746-R748 VanDerWaalsContact C-N 3.33Å; A746-R748 PolarHBondContact O-N 3.31Å; A746-I749 PolarHBondContact O-N 2.82Å |
| 747 | L | 61.6 | Low | 59.5 | Low | 31 Ų | 31 | 81.5 Ų | 81.5 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.4 | -25.5 | 177.4 | -67.5 | 169.9 | 0 | 0 | 0 | 113.9 | T684 A743 H745 R905 E906 | T684-L747 WeakPolarHBondContact CG2-O 3.47Å; A743-L747 VanDerWaalsContact O-CG 3.23Å; A743-L747 WeakPolarHBondContact O-CG 3.43Å; A743-L747 PolarHBondContact O-N 3.15Å; A743-L747 VanDerWaalsContact O-N 3.08Å; H745-L747 PolarHBondContact O-N 3.02Å; L747-R905 HydrophobicContact CD2-CB 4.08Å; L747-E906 HydrophobicContact CD1-CG 4.1Å; L747-E906 HydrophobicContact CD2-CG 3.46Å; L747-E906 VanDerWaalsContact CD2-CG 3.46Å; L747-E906 HydrophobicContact CG-CG 4.43Å |
| 748 | R | 59.9 | Low | 56.3 | Low | 138 Ų | 138 | 88.5 Ų | 88.5 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -80.9 | -24.7 | 178.2 | -68.3 | -177.5 | 98.7 | 176.4 | 3.1 | 112.8 | T684 H745 A746 K750 | T684-R748 PolarHBondContact O-NE 3.09Å; H745-R748 PolarHBondContact O-N 3.25Å; H745-R748 VanDerWaalsContact O-N 3.1Å; A746-R748 VanDerWaalsContact C-N 3.33Å; A746-R748 PolarHBondContact O-N 3.31Å; R748-K750 PolarHBondContact O-N 3.43Å; R748-K750 VanDerWaalsContact O-N 3.08Å |
| 749 | I | 50.1 | Low | 53.2 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 54% | 0.544 | 47% | 0.465 | S | S | . | . | trans | -85.5 | 79.6 | -179 | -54.7 | 169 | 0 | 0 | 0 | 108.9 | H745 A746 R751 | H745-I749 PolarHBondContact O-N 2.84Å; A746-I749 PolarHBondContact O-N 2.82Å; I749-R751 PolarHBondContact O-N 3.4Å; I749-R751 VanDerWaalsContact O-N 3.16Å | ||
| 750 | K | 42 | Very low | 50.4 | Low | 141 Ų | 141 | 101.3 Ų | 101.3 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | trans | -67 | -5 | 174.5 | -99.2 | -172.3 | 178.2 | -177.2 | 0 | 114.6 | T681 R748 | T681-K750 VanDerWaalsContact OG1-CE 3.3Å; T681-K750 WeakPolarHBondContact OG1-CE 3.42Å; T681-K750 PolarHBondContact OG1-NZ 3.24Å; R748-K750 PolarHBondContact O-N 3.43Å; R748-K750 VanDerWaalsContact O-N 3.08Å | ||
| 751 | R | 31.4 | Very low | 47.6 | Very low | 202 Ų | 202 | 106 Ų | 106 | 76% | 0.762 | 54% | 0.539 | S | S | * | . | trans | -142 | 74 | -163.2 | -150.8 | 174 | -169.7 | 166.6 | 0.9 | 112.4 | I749 C753 | I749-R751 PolarHBondContact O-N 3.4Å; I749-R751 VanDerWaalsContact O-N 3.16Å; R751-C753 VanDerWaalsContact C-N 3.29Å | ||
| 752 | W | 29.5 | Very low | 44.7 | Very low | 222 Ų | 222 | 110.6 Ų | 110.6 | 84% | 0.841 | 57% | 0.57 | S | S | * | * | trans | -95.5 | 71 | 146.5 | -95.6 | 46.9 | 0 | 0 | 0 | 107.3 | G754 | W752-G754 PolarHBondContact O-N 3.1Š| ||
| 753 | C | 29.1 | Very low | 42.1 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 51% | 0.507 | 60% | 0.601 | S | S | . | * | trans | -65.7 | 114.2 | 154.8 | -69.8 | 0 | 0 | 0 | 0 | 105.2 | R751 S755 | R751-C753 VanDerWaalsContact C-N 3.29Å; C753-S755 PolarHBondContact O-N 3.07Å | ||
| 754 | G | 27.9 | Very low | 39.7 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 94% | 0.938 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 44.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | W752 | W752-G754 PolarHBondContact O-N 3.1Š|
| 755 | S | 29.2 | Very low | 37.3 | Very low | 64 Ų | 64 | 132.3 Ų | 132.3 | 45% | 0.448 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.2 | 15.4 | -175.6 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | C753 F757 M758 | C753-S755 PolarHBondContact O-N 3.07Å; S755-F757 PolarHBondContact O-N 3.38Å; S755-F757 VanDerWaalsContact O-N 3.12Å; S755-M758 PolarHBondContact O-N 2.89Å |
| 756 | I | 31.4 | Very low | 35 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -2.3 | 172.2 | -63.6 | 177 | 0 | 0 | 0 | 112 | ||
| 757 | F | 31.8 | Very low | 33 | Very low | 208 Ų | 208 | 136 Ų | 136 | 91% | 0.912 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 9.6 | 165.1 | -87 | -73.6 | 0 | 0 | 0 | 115.7 | S755 | S755-F757 PolarHBondContact O-N 3.38Å; S755-F757 VanDerWaalsContact O-N 3.12Å |
| 758 | M | 26.7 | Very low | 31.3 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -119.7 | 91 | 170.7 | -80.3 | -73.6 | -179.4 | 0 | 0 | 109.8 | S755 Q760 | S755-M758 PolarHBondContact O-N 2.89Å; M758-Q760 PolarHBondContact O-N 3.4Å; M758-Q760 VanDerWaalsContact O-N 3.07Å |
| 759 | N | 26.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -62.6 | 100.4 | 174.8 | -160.6 | 8.1 | 0 | 0 | 0 | 109.3 | ||||
| 760 | Q | 31.3 | Very low | 28.4 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -121.1 | 34.7 | -176.2 | -134 | 179.7 | 26.8 | 0 | 0 | 113.3 | M758 | M758-Q760 PolarHBondContact O-N 3.4Å; M758-Q760 VanDerWaalsContact O-N 3.07Å | ||
| 761 | S | 28.7 | Very low | 27.5 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -137.2 | 55 | 175.2 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 762 | C | 27 | Very low | 27.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -130.6 | 68.7 | 154.2 | -65.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 763 | R | 26.2 | Very low | 26.9 | Very low | 240 Ų | 240 | 141.7 Ų | 141.7 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -117 | 75.3 | 166.8 | -88.8 | -168.6 | 175.9 | -173.3 | 0 | 108.3 | ||||
| 764 | T | 27.5 | Very low | 26.5 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -170 | 116.5 | 151.1 | 38.5 | 0 | 0 | 0 | 0 | 105.4 | ||
| 765 | D | 26 | Very low | 26.4 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 131.3 | 77.9 | 160.7 | -63.1 | -9.6 | 0 | 0 | 0 | 111.1 | S767 | D765-S767 PolarHBondContact O-N 2.84Å; D765-S767 VanDerWaalsContact O-N 3.12Å | ||
| 766 | S | 24.3 | Very low | 26.1 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -64.7 | 92.2 | 162.3 | 48.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 767 | S | 24.9 | Very low | 26 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | trans | 177.9 | 123.9 | 143.8 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | D765 | D765-S767 PolarHBondContact O-N 2.84Å; D765-S767 VanDerWaalsContact O-N 3.12Å | ||
| 768 | Q | 25.6 | Very low | 25.7 | Very low | 166 Ų | 166 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 71.1 | 105.6 | 167.9 | -50.3 | 171.3 | 13.5 | 0 | 0 | 111.6 | ||||
| 769 | F | 23.8 | Very low | 25.9 | Very low | 190 Ų | 190 | 144 Ų | 144 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | -156.9 | 144.5 | 77.1 | -93.6 | -89.3 | 0 | 0 | 0 | 111 | T771 | F769-T771 PolarHBondContact O-N 3.36Š| |||
| 770 | Q | 24.4 | Very low | 25.9 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -54.4 | 119.3 | -176.8 | -70.8 | 158.1 | -28.4 | 0 | 0 | 112.7 | A772 | Q770-A772 PolarHBondContact O-N 2.88Š| ||
| 771 | T | 24.5 | Very low | 25.8 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 112.4 | 163.8 | 38.6 | 0 | 0 | 0 | 0 | 110.2 | F769 Q773 | F769-T771 PolarHBondContact O-N 3.36Å; T771-Q773 PolarHBondContact O-N 3.42Å | ||
| 772 | A | 24.4 | Very low | 26 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -69.9 | 111.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q770 C774 | Q770-A772 PolarHBondContact O-N 2.88Å; A772-C774 PolarHBondContact O-N 3.02Å | ||
| 773 | Q | 23.6 | Very low | 26 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -62.2 | 122.2 | 178.4 | -68.6 | 163.6 | -47 | 0 | 0 | 110.7 | T771 | T771-Q773 PolarHBondContact O-N 3.42Š| ||
| 774 | C | 20.8 | Very low | 26.2 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -98.7 | 118.1 | 150.4 | -81.1 | 0 | 0 | 0 | 0 | 107.5 | A772 S776 | A772-C774 PolarHBondContact O-N 3.02Å; C774-S776 PolarHBondContact O-N 3.18Å | ||
| 775 | V | 26.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 140 Ų | 140 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -61.4 | 114.9 | -171.6 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | T777 | V775-T777 HydrophobicContact CG1-CG2 4.35Š| ||
| 776 | S | 22.8 | Very low | 26.4 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -80.3 | 108.3 | 161.2 | 46.8 | 0 | 0 | 0 | 0 | 108.9 | C774 N778 | C774-S776 PolarHBondContact O-N 3.18Å; S776-N778 PolarHBondContact O-N 3.01Å | ||
| 777 | T | 29.3 | Very low | 26.5 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 112.3 | 162.8 | 33.6 | 0 | 0 | 0 | 0 | 109.1 | V775 | V775-T777 HydrophobicContact CG1-CG2 4.35Š| ||
| 778 | N | 25.8 | Very low | 26.6 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -48 | 143.1 | 168.5 | -71.8 | -32.7 | 0 | 0 | 0 | 112.2 | S776 | S776-N778 PolarHBondContact O-N 3.01Š| ||
| 779 | N | 29.8 | Very low | 26.8 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | -162.6 | 135.9 | 118.9 | -92.7 | -20.6 | 0 | 0 | 0 | 111.7 | |||||
| 780 | N | 27.5 | Very low | 27.1 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -68.7 | 162 | -177.5 | -73 | -36.7 | 0 | 0 | 0 | 113.2 | ||||
| 781 | N | 29.2 | Very low | 27.6 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 74.2 | 97.6 | 158.3 | -58.6 | -12.9 | 0 | 0 | 0 | 116.7 | ||||
| 782 | D | 32.7 | Very low | 28.3 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | -167.4 | 118.1 | 113.4 | -89.7 | -23.1 | 0 | 0 | 0 | 109.8 | N784 | D782-N784 VanDerWaalsContact C-N 3.32Å; D782-N784 PolarHBondContact O-N 2.68Å | |||
| 783 | S | 27.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 83.5 | 177.9 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 784 | N | 29.4 | Very low | 30.8 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -125.4 | 83.5 | 157.4 | -90.4 | -25 | 0 | 0 | 0 | 107.6 | D782 I786 | D782-N784 VanDerWaalsContact C-N 3.32Å; D782-N784 PolarHBondContact O-N 2.68Å; N784-I786 VanDerWaalsContact C-N 3.29Å; N784-I786 PolarHBondContact O-N 3.05Å | ||
| 785 | S | 27.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | -66.3 | 90.6 | 172.7 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | N787 | S785-N787 PolarHBondContact O-N 2.71Š| ||
| 786 | I | 29.1 | Very low | 35 | Very low | 138 Ų | 138 | 123.5 Ų | 123.5 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | -57.4 | 109.3 | 164.5 | -64 | 172.4 | 0 | 0 | 0 | 106.7 | N784 M788 | N784-I786 VanDerWaalsContact C-N 3.29Å; N784-I786 PolarHBondContact O-N 3.05Å; I786-M788 VanDerWaalsContact C-N 3.32Å; I786-M788 HydrophobicContact CG2-CE 4.48Å; I786-M788 HydrophobicContact CG2-CG 4.14Å; I786-M788 PolarHBondContact O-N 3.36Å | ||
| 787 | N | 27.6 | Very low | 37.4 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -72.3 | 83 | -178.1 | -150.6 | 1.4 | 0 | 0 | 0 | 108.8 | S785 N789 | S785-N787 PolarHBondContact O-N 2.71Å; N787-N789 PolarHBondContact O-N 3.12Å | ||
| 788 | M | 26 | Very low | 39.6 | Very low | 167 Ų | 167 | 115.8 Ų | 115.8 | 82% | 0.823 | 66% | 0.658 | S | S | * | * | trans | -77.4 | 56.7 | 179.1 | -81.3 | -70.7 | -162.1 | 0 | 0 | 112.2 | I786 | I786-M788 VanDerWaalsContact C-N 3.32Å; I786-M788 HydrophobicContact CG2-CE 4.48Å; I786-M788 HydrophobicContact CG2-CG 4.14Å; I786-M788 PolarHBondContact O-N 3.36Å | ||
| 789 | N | 29.6 | Very low | 42.1 | Very low | 143 Ų | 143 | 113 Ų | 113 | 77% | 0.765 | 65% | 0.648 | S | S | * | * | trans | -133.4 | 56.2 | 176.7 | -95.3 | -10.2 | 0 | 0 | 0 | 111.8 | N787 | N787-N789 PolarHBondContact O-N 3.12Š| ||
| 790 | T | 30.6 | Very low | 44.7 | Very low | 125 Ų | 125 | 105.5 Ų | 105.5 | 77% | 0.767 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -144.4 | 139.2 | 163.6 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 791 | S | 34.9 | Very low | 47.5 | Very low | 83 Ų | 83 | 101 Ų | 101 | 58% | 0.58 | 59% | 0.586 | S | S | * | * | trans | 70.5 | 65.9 | 162.6 | 73.7 | 0 | 0 | 0 | 0 | 119.3 | N793 | S791-N793 VanDerWaalsContact C-N 3.34Å; S791-N793 PolarHBondContact O-N 3Å; S791-N793 VanDerWaalsContact O-N 3.14Å | ||
| 792 | S | 39.3 | Very low | 50.3 | Low | 104 Ų | 104 | 100.9 Ų | 100.9 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | trans | -72.9 | 95.7 | 146.6 | 58.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 793 | N | 42.3 | Very low | 53.1 | Low | 126 Ų | 126 | 94.9 Ų | 94.9 | 67% | 0.674 | 55% | 0.552 | S | S | * | * | trans | -50.1 | 134 | -169.7 | -67.5 | -40.7 | 0 | 0 | 0 | 116 | S791 V795 | S791-N793 VanDerWaalsContact C-N 3.34Å; S791-N793 PolarHBondContact O-N 3Å; S791-N793 VanDerWaalsContact O-N 3.14Å; N793-V795 VanDerWaalsContact C-N 3.28Å; N793-V795 PolarHBondContact O-N 3.08Å | ||
| 794 | L | 57.3 | Low | 56.2 | Low | 48 Ų | 48 | 89.2 Ų | 89.2 | 25% | 0.251 | 51% | 0.511 | S | S | . | . | trans | -78 | 64.5 | 179.3 | -66.6 | 157 | 0 | 0 | 0 | 111.8 | W796 I797 | L794-W796 HydrophobicContact CD2-CZ2 4.37Å; L794-W796 PolarHBondContact O-N 2.73Å; L794-I797 HydrophobicContact CB-CB 4.27Å; L794-I797 HydrophobicContact CB-CD1 3.59Å; L794-I797 HydrophobicContact CB-CG1 3.89Å; L794-I797 HydrophobicContact CD1-CD1 3.54Å; L794-I797 HydrophobicContact CD2-CD1 4.33Å; L794-I797 HydrophobicContact CG-CD1 3.99Å; L794-I797 WeakPolarHBondContact O-CB 3.31Å; L794-I797 PolarHBondContact O-N 3.44Å | ||
| 795 | V | 66.3 | Low | 59.2 | Low | 107 Ų | 107 | 86.1 Ų | 86.1 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -50.6 | -27.9 | -176.9 | 179.3 | 0 | 0 | 0 | 0 | 114.2 | N793 S798 S799 | N793-V795 VanDerWaalsContact C-N 3.28Å; N793-V795 PolarHBondContact O-N 3.08Å; V795-S798 PolarHBondContact O-OG 3.23Å; V795-S799 PolarHBondContact O-N 3.03Å |
| 796 | W | 70.4 | Confident | 62.3 | Low | 56 Ų | 56 | 84.8 Ų | 84.8 | 21% | 0.212 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -71.9 | -29.5 | 177.3 | 66 | -90.9 | 0 | 0 | 0 | 113.1 | T742 L794 C800 I846 | T742-W796 HydrophobicContact CG2-CE3 4.42Å; L794-W796 HydrophobicContact CD2-CZ2 4.37Å; L794-W796 PolarHBondContact O-N 2.73Å; W796-C800 PolarHBondContact O-N 3.15Å; W796-C800 VanDerWaalsContact O-N 3.13Å; W796-C800 PolarHBondContact O-SG 2.9Å; W796-I846 HydrophobicContact CH2-CG2 4.26Å |
| 797 | I | 72.9 | Confident | 65.5 | Low | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.6 | -45 | 177.4 | -64 | 179.4 | 0 | 0 | 0 | 109.6 | L794 S799 C800 V801 I846 D847 | L794-I797 HydrophobicContact CB-CB 4.27Å; L794-I797 HydrophobicContact CB-CD1 3.59Å; L794-I797 HydrophobicContact CB-CG1 3.89Å; L794-I797 HydrophobicContact CD1-CD1 3.54Å; L794-I797 HydrophobicContact CD2-CD1 4.33Å; L794-I797 HydrophobicContact CG-CD1 3.99Å; L794-I797 WeakPolarHBondContact O-CB 3.31Å; L794-I797 PolarHBondContact O-N 3.44Å; I797-S799 VanDerWaalsContact C-N 3.28Å; I797-S799 PolarHBondContact O-N 3.01Å; I797-C800 PolarHBondContact O-N 3.11Å; I797-V801 HydrophobicContact CG2-CG2 3.95Å; I797-V801 WeakPolarHBondContact O-CG2 3.09Å; I797-V801 PolarHBondContact O-N 2.86Å; I797-I846 HydrophobicContact CD1-CB 4.36Å; I797-I846 HydrophobicContact CD1-CG2 3.72Å; I797-D847 HydrophobicContact CD1-CB 4.32Å; I797-D847 HydrophobicContact CG2-CB 4.02Å |
| 798 | S | 74.6 | Confident | 68.6 | Low | 73 Ų | 73 | 73 Ų | 73 | 51% | 0.51 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 178.9 | 59.4 | 0 | 0 | 0 | 0 | 112 | V795 V801 E802 | V795-S798 PolarHBondContact O-OG 3.23Å; S798-V801 PolarHBondContact O-N 2.74Å; S798-E802 WeakPolarHBondContact O-CB 3.48Å; S798-E802 PolarHBondContact O-N 2.81Å |
| 799 | S | 79.1 | Confident | 71.9 | Confident | 74 Ų | 74 | 70 Ų | 70 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | V795 I797 S803 | V795-S799 PolarHBondContact O-N 3.03Å; I797-S799 VanDerWaalsContact C-N 3.28Å; I797-S799 PolarHBondContact O-N 3.01Å; S799-S803 PolarHBondContact O-N 3.18Å |
| 800 | C | 84.6 | Confident | 74.9 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 5% | 0.054 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.4 | -48.6 | 174.3 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | W796 I797 E802 S803 W804 L843 | W796-C800 PolarHBondContact O-N 3.15Å; W796-C800 VanDerWaalsContact O-N 3.13Å; W796-C800 PolarHBondContact O-SG 2.9Å; I797-C800 PolarHBondContact O-N 3.11Å; C800-E802 VanDerWaalsContact C-N 3.26Å; C800-E802 PolarHBondContact O-N 3.33Å; C800-S803 PolarHBondContact O-N 3.35Å; C800-S803 PolarHBondContact O-OG 3.06Å; C800-W804 PolarHBondContact O-N 2.94Å; C800-L843 HydrophobicContact CB-CD1 4.19Å; C800-L843 HydrophobicContact CB-CD2 4.27Å |
| 801 | V | 85.9 | Confident | 77.9 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 26% | 0.261 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.5 | -42.1 | 179.3 | 170.8 | 0 | 0 | 0 | 0 | 111 | I797 S798 S803 W804 N805 L843 | I797-V801 HydrophobicContact CG2-CG2 3.95Å; I797-V801 WeakPolarHBondContact O-CG2 3.09Å; I797-V801 PolarHBondContact O-N 2.86Å; S798-V801 PolarHBondContact O-N 2.74Å; V801-S803 PolarHBondContact O-N 3.28Å; V801-W804 PolarHBondContact O-N 3.26Å; V801-N805 WeakPolarHBondContact CG1-ND2 3.48Å; V801-N805 VanDerWaalsContact O-CB 3.32Å; V801-N805 WeakPolarHBondContact O-CB 3.42Å; V801-N805 PolarHBondContact O-N 3.37Å; V801-N805 PolarHBondContact O-ND2 3.34Å; V801-L843 HydrophobicContact CG2-CB 3.86Å; V801-L843 HydrophobicContact CG2-CD1 3.99Å; V801-L843 HydrophobicContact CG2-CG 4.45Å |
| 802 | E | 88 | Confident | 80.6 | Confident | 139 Ų | 139 | 58.1 Ų | 58.1 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 174.2 | -173.3 | 176.5 | -171.9 | 0 | 0 | 112.3 | S798 C800 N805 N806 | S798-E802 WeakPolarHBondContact O-CB 3.48Å; S798-E802 PolarHBondContact O-N 2.81Å; C800-E802 VanDerWaalsContact C-N 3.26Å; C800-E802 PolarHBondContact O-N 3.33Å; E802-N805 PolarHBondContact O-N 3.41Å; E802-N806 WeakPolarHBondContact O-CB 3.21Å; E802-N806 PolarHBondContact O-N 3.09Å |
| 803 | S | 90.5 | Very high | 83.1 | Confident | 32 Ų | 32 | 56 Ų | 56 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.2 | -33.4 | -179.3 | 80.6 | 0 | 0 | 0 | 0 | 113.3 | N735 S799 C800 V801 L807 | N735-S803 PolarHBondContact ND2-O 3.5Å; N735-S803 VanDerWaalsContact OD1-CB 3.25Å; N735-S803 WeakPolarHBondContact OD1-CB 3.49Å; N735-S803 PolarHBondContact OD1-OG 3.47Å; S799-S803 PolarHBondContact O-N 3.18Å; C800-S803 PolarHBondContact O-N 3.35Å; C800-S803 PolarHBondContact O-OG 3.06Å; V801-S803 PolarHBondContact O-N 3.28Å; S803-L807 PolarHBondContact O-N 3.05Å; S803-L807 VanDerWaalsContact O-N 3.11Å |
| 804 | W | 93.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.8 | -37.8 | 173.7 | -76.2 | 96.6 | 0 | 0 | 0 | 112.3 | L732 N735 L736 L739 C800 V801 L807 S808 V836 F839 N840 L843 | L732-W804 HydrophobicContact CD1-CH2 4.18Å; L732-W804 HydrophobicContact CD1-CZ3 4.04Å; N735-W804 HydrophobicContact CB-CD2 4.25Å; N735-W804 HydrophobicContact CB-CH2 4.46Å; N735-W804 HydrophobicContact CB-CZ2 3.97Å; L736-W804 HydrophobicContact CD2-CH2 3.74Å; L736-W804 HydrophobicContact CD2-CZ2 4.05Å; L736-W804 HydrophobicContact CG-CH2 4.16Å; L736-W804 HydrophobicContact CG-CZ2 4.48Å; L739-W804 HydrophobicContact CD2-CZ2 3.85Å; C800-W804 PolarHBondContact O-N 2.94Å; V801-W804 PolarHBondContact O-N 3.26Å; W804-L807 HydrophobicContact CE3-CD2 4.27Å; W804-L807 HydrophobicContact CZ3-CD2 4.36Å; W804-L807 PolarHBondContact O-N 2.89Å; W804-S808 PolarHBondContact O-N 2.99Å; W804-V836 HydrophobicContact CE3-CB 4.36Å; W804-V836 HydrophobicContact CE3-CG1 4.12Å; W804-V836 HydrophobicContact CE3-CG2 4.18Å; W804-V836 HydrophobicContact CZ3-CB 4.49Å; W804-V836 HydrophobicContact CZ3-CG2 4.04Å; W804-F839 HydrophobicContact CD2-CB 4Å; W804-F839 HydrophobicContact CE3-CB 3.76Å; W804-F839 HydrophobicContact CE3-CG 4.42Å; W804-F839 HydrophobicContact CH2-CB 3.66Å; W804-F839 HydrophobicContact CH2-CD1 4.07Å; W804-F839 AromaticContact CH2-CD2 3.3Å; W804-F839 HydrophobicContact CH2-CD2 3.3Å; W804-F839 AromaticContact CH2-CE2 3.91Å; W804-F839 HydrophobicContact CH2-CE2 3.91Å; W804-F839 AromaticContact CH2-CG 3.4Å; W804-F839 HydrophobicContact CH2-CG 3.4Å; W804-F839 VanDerWaalsContact CH2-CG 3.4Å; W804-F839 HydrophobicContact CZ2-CB 3.9Å; W804-F839 HydrophobicContact CZ2-CD1 4.04Å; W804-F839 HydrophobicContact CZ2-CD2 4.11Å; W804-F839 AromaticContact CZ2-CG 3.76Å; W804-F839 HydrophobicContact CZ2-CG 3.76Å; W804-F839 HydrophobicContact CZ3-CB 3.59Å; W804-F839 AromaticContact CZ3-CD2 3.6Å; W804-F839 HydrophobicContact CZ3-CD2 3.6Å; W804-F839 AromaticContact CZ3-CG 3.77Å; W804-F839 HydrophobicContact CZ3-CG 3.77Å; W804-N840 WeakPolarHBondContact CB-OD1 3.31Å; W804-L843 VanDerWaalsContact CD1-CD1 3.47Å; W804-L843 HydrophobicContact CG-CD1 4.1Å |
| 805 | N | 92.6 | Very high | 87.1 | Confident | 82 Ų | 82 | 51 Ų | 51 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 172.2 | -74.6 | -26 | 0 | 0 | 0 | 111.7 | V801 E802 L807 S808 Q809 N840 | V801-N805 WeakPolarHBondContact CG1-ND2 3.48Å; V801-N805 VanDerWaalsContact O-CB 3.32Å; V801-N805 WeakPolarHBondContact O-CB 3.42Å; V801-N805 PolarHBondContact O-N 3.37Å; V801-N805 PolarHBondContact O-ND2 3.34Å; E802-N805 PolarHBondContact O-N 3.41Å; N805-L807 PolarHBondContact O-N 3.15Å; N805-S808 WeakPolarHBondContact O-CB 3.49Å; N805-S808 PolarHBondContact O-N 3.47Å; N805-Q809 PolarHBondContact O-N 2.97Å; N805-N840 PolarHBondContact OD1-ND2 3.46Å |
| 806 | N | 93.8 | Very high | 88.3 | Confident | 91 Ų | 91 | 47.3 Ų | 47.3 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 173.9 | -174.1 | 32.9 | 0 | 0 | 0 | 111.8 | E802 S808 Q809 E810 | E802-N806 WeakPolarHBondContact O-CB 3.21Å; E802-N806 PolarHBondContact O-N 3.09Å; N806-S808 PolarHBondContact O-N 2.91Å; N806-Q809 PolarHBondContact O-N 3.18Å; N806-E810 PolarHBondContact O-N 2.94Å |
| 807 | L | 94.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.1 | 174.3 | 58.4 | 0 | 0 | 0 | 111.8 | I728 L731 L732 S803 W804 N805 Q809 E810 I811 V836 | I728-L807 HydrophobicContact CG2-CD1 4.24Å; L731-L807 HydrophobicContact CB-CD1 3.78Å; L731-L807 HydrophobicContact CD1-CD1 4.46Å; L732-L807 HydrophobicContact CB-CD2 4.16Å; L732-L807 HydrophobicContact CD1-CD2 4.05Å; S803-L807 PolarHBondContact O-N 3.05Å; S803-L807 VanDerWaalsContact O-N 3.11Å; W804-L807 HydrophobicContact CE3-CD2 4.27Å; W804-L807 HydrophobicContact CZ3-CD2 4.36Å; W804-L807 PolarHBondContact O-N 2.89Å; N805-L807 PolarHBondContact O-N 3.15Å; L807-Q809 VanDerWaalsContact C-N 3.31Å; L807-Q809 PolarHBondContact O-N 3.05Å; L807-E810 PolarHBondContact O-N 2.97Å; L807-I811 HydrophobicContact CD1-CD1 3.87Å; L807-I811 HydrophobicContact CD1-CG1 4.12Å; L807-I811 HydrophobicContact CG-CD1 3.87Å; L807-I811 WeakPolarHBondContact O-CD1 3.34Å; L807-I811 VanDerWaalsContact O-CG1 3.29Å; L807-I811 WeakPolarHBondContact O-CG1 3.47Å; L807-I811 PolarHBondContact O-N 2.66Å; L807-V836 HydrophobicContact CD2-CG2 3.74Å; L807-V836 HydrophobicContact CG-CG2 4.01Å |
| 808 | S | 94.3 | Very high | 90.1 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 175.5 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | W804 N805 N806 I811 S812 | W804-S808 PolarHBondContact O-N 2.99Å; N805-S808 WeakPolarHBondContact O-CB 3.49Å; N805-S808 PolarHBondContact O-N 3.47Å; N806-S808 PolarHBondContact O-N 2.91Å; S808-I811 PolarHBondContact O-N 3.2Å; S808-S812 PolarHBondContact O-N 3.26Å |
| 809 | Q | 93.8 | Very high | 90.8 | Very high | 104 Ų | 104 | 42.9 Ų | 42.9 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 177 | -171.3 | 62.9 | 41 | 0 | 0 | 112.3 | N805 N806 L807 I811 S812 N813 | N805-Q809 PolarHBondContact O-N 2.97Å; N806-Q809 PolarHBondContact O-N 3.18Å; L807-Q809 VanDerWaalsContact C-N 3.31Å; L807-Q809 PolarHBondContact O-N 3.05Å; Q809-I811 VanDerWaalsContact C-N 3.31Å; Q809-I811 PolarHBondContact O-N 3.1Å; Q809-S812 PolarHBondContact O-N 3.03Å; Q809-N813 PolarHBondContact NE2-OD1 2.99Å; Q809-N813 WeakPolarHBondContact O-CB 3.48Å; Q809-N813 PolarHBondContact O-N 2.64Å; Q809-N813 PolarHBondContact O-ND2 3.41Å; Q809-N813 PolarHBondContact O-OD1 2.75Å |
| 810 | E | 94.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.9 | -76.8 | -66.9 | 135.3 | 0 | 0 | 112.2 | K724 L731 N806 L807 L814 | K724-E810 IonicContact NZ-OE2 2.68Å; K724-E810 PolarHBondContact NZ-OE2 2.76Å; L731-E810 HydrophobicContact CD1-CG 4.28Å; N806-E810 PolarHBondContact O-N 2.94Å; L807-E810 PolarHBondContact O-N 2.97Å; E810-L814 PolarHBondContact O-N 3.38Å |
| 811 | I | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.2 | -45.3 | 175.3 | -63.5 | 157.7 | 0 | 0 | 0 | 110.6 | I728 L807 S808 Q809 N813 L814 R815 I832 T833 V836 | I728-I811 HydrophobicContact CD1-CB 4.43Å; I728-I811 HydrophobicContact CD1-CG1 3.93Å; I728-I811 HydrophobicContact CG1-CG1 4.24Å; I728-I811 HydrophobicContact CG2-CD1 4.35Å; I728-I811 HydrophobicContact CG2-CG1 3.79Å; L807-I811 HydrophobicContact CD1-CD1 3.87Å; L807-I811 HydrophobicContact CD1-CG1 4.12Å; L807-I811 HydrophobicContact CG-CD1 3.87Å; L807-I811 WeakPolarHBondContact O-CD1 3.34Å; L807-I811 VanDerWaalsContact O-CG1 3.29Å; L807-I811 WeakPolarHBondContact O-CG1 3.47Å; L807-I811 PolarHBondContact O-N 2.66Å; S808-I811 PolarHBondContact O-N 3.2Å; Q809-I811 VanDerWaalsContact C-N 3.31Å; Q809-I811 PolarHBondContact O-N 3.1Å; I811-N813 VanDerWaalsContact C-N 3.32Å; I811-N813 PolarHBondContact O-N 2.66Å; I811-L814 PolarHBondContact O-N 2.74Å; I811-R815 HydrophobicContact CG2-CG 4.37Å; I811-R815 WeakPolarHBondContact O-CB 3.24Å; I811-R815 VanDerWaalsContact O-CG 3.32Å; I811-R815 WeakPolarHBondContact O-CG 3.44Å; I811-R815 PolarHBondContact O-N 3.14Å; I811-I832 HydrophobicContact CD1-CG2 3.73Å; I811-I832 HydrophobicContact CG1-CG2 4.42Å; I811-T833 VanDerWaalsContact CG2-OG1 3.23Å; I811-T833 WeakPolarHBondContact CG2-OG1 3.24Å; I811-V836 HydrophobicContact CD1-CB 4.46Å; I811-V836 HydrophobicContact CD1-CG2 3.73Å |
| 812 | S | 91.8 | Very high | 91.8 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 43% | 0.427 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | S808 Q809 R815 A816 | S808-S812 PolarHBondContact O-N 3.26Å; Q809-S812 PolarHBondContact O-N 3.03Å; S812-R815 PolarHBondContact O-N 3.09Å; S812-A816 PolarHBondContact O-N 3.36Å |
| 813 | N | 91.4 | Very high | 91.7 | Very high | 58 Ų | 58 | 35.9 Ų | 35.9 | 31% | 0.31 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.8 | -68.1 | -10 | 0 | 0 | 0 | 111.4 | Q809 I811 R815 A816 Q817 | Q809-N813 PolarHBondContact NE2-OD1 2.99Å; Q809-N813 WeakPolarHBondContact O-CB 3.48Å; Q809-N813 PolarHBondContact O-N 2.64Å; Q809-N813 PolarHBondContact O-ND2 3.41Å; Q809-N813 PolarHBondContact O-OD1 2.75Å; I811-N813 VanDerWaalsContact C-N 3.32Å; I811-N813 PolarHBondContact O-N 2.66Å; N813-R815 VanDerWaalsContact C-N 3.33Å; N813-R815 PolarHBondContact O-N 2.84Å; N813-A816 PolarHBondContact O-N 2.95Å; N813-Q817 WeakPolarHBondContact O-CG 3.23Å; N813-Q817 PolarHBondContact O-N 2.86Å |
| 814 | L | 92.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.2 | 179.3 | 61.1 | 0 | 0 | 0 | 111.2 | W720 F721 K724 I728 E810 I811 A816 Q817 C818 L829 | W720-L814 HydrophobicContact CH2-CD1 4.21Å; W720-L814 HydrophobicContact CZ3-CD1 3.59Å; F721-L814 HydrophobicContact CD2-CD1 3.93Å; F721-L814 HydrophobicContact CE2-CD1 4.2Å; F721-L814 HydrophobicContact CE2-CD2 4.23Å; F721-L814 HydrophobicContact CE2-CG 4.47Å; K724-L814 HydrophobicContact CB-CD1 3.91Å; I728-L814 HydrophobicContact CD1-CB 3.82Å; I728-L814 HydrophobicContact CD1-CD2 3.27Å; I728-L814 HydrophobicContact CD1-CG 4.15Å; E810-L814 PolarHBondContact O-N 3.38Å; I811-L814 PolarHBondContact O-N 2.74Å; L814-A816 PolarHBondContact O-N 3.32Å; L814-Q817 PolarHBondContact O-N 3.18Å; L814-Q817 VanDerWaalsContact O-N 3.16Å; L814-C818 PolarHBondContact O-N 3.09Å; L814-C818 PolarHBondContact O-SG 3.27Å; L814-L829 HydrophobicContact CD2-CD1 4.4Å; L814-L829 HydrophobicContact CD2-CD2 4.05Å; L814-L829 HydrophobicContact CG-CD1 4.43Å |
| 815 | R | 91.9 | Very high | 91.2 | Very high | 64 Ų | 64 | 37.2 Ų | 37.2 | 24% | 0.242 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 179.3 | -75.5 | 174.2 | 56.1 | 176.5 | -0.3 | 111.8 | I811 S812 N813 Q817 C818 L829 E830 T833 W1079 | I811-R815 HydrophobicContact CG2-CG 4.37Å; I811-R815 WeakPolarHBondContact O-CB 3.24Å; I811-R815 VanDerWaalsContact O-CG 3.32Å; I811-R815 WeakPolarHBondContact O-CG 3.44Å; I811-R815 PolarHBondContact O-N 3.14Å; S812-R815 PolarHBondContact O-N 3.09Å; N813-R815 VanDerWaalsContact C-N 3.33Å; N813-R815 PolarHBondContact O-N 2.84Å; R815-Q817 PolarHBondContact O-N 2.95Å; R815-C818 PolarHBondContact O-N 2.73Å; R815-L829 HydrophobicContact CG-CB 3.8Å; R815-L829 HydrophobicContact CG-CD1 3.99Å; R815-E830 IonicContact CZ-OE1 2.67Å; R815-E830 IonicContact CZ-OE2 3.84Å; R815-E830 IonicContact NH1-OE1 3.18Å; R815-E830 PolarHBondContact NH1-OE1 2.85Å; R815-E830 IonicContact NH1-OE2 2.72Å; R815-E830 PolarHBondContact NH1-OE2 2.91Å; R815-E830 IonicContact NH2-OE1 2.77Å; R815-E830 IonicContact NH2-OE2 2.75Å; R815-E830 PolarHBondContact NH2-OE2 3.08Å; R815-T833 PolarHBondContact NH1-OG1 3Å; R815-W1079 WeakPolarHBondContact O-CZ3 3.47Å |
| 816 | A | 89.9 | Confident | 91.1 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -28.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | S812 N813 L814 D1080 | S812-A816 PolarHBondContact O-N 3.36Å; N813-A816 PolarHBondContact O-N 2.95Å; L814-A816 PolarHBondContact O-N 3.32Å; A816-D1080 CarbonylContact C-O 3.57Å; A816-D1080 HydrophobicContact CB-CB 4.42Å; A816-D1080 PolarHBondContact O-N 3.24Å |
| 817 | Q | 90.4 | Very high | 90.8 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.164 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85 | -9.7 | 176.7 | -67.2 | 173.1 | 27.1 | 0 | 0 | 113.7 | W720 N813 L814 R815 L819 D1080 L1081 S1082 | W720-Q817 HydrophobicContact CH2-CB 3.62Å; W720-Q817 HydrophobicContact CZ3-CB 3.97Å; N813-Q817 WeakPolarHBondContact O-CG 3.23Å; N813-Q817 PolarHBondContact O-N 2.86Å; L814-Q817 PolarHBondContact O-N 3.18Å; L814-Q817 VanDerWaalsContact O-N 3.16Å; R815-Q817 PolarHBondContact O-N 2.95Å; Q817-L819 VanDerWaalsContact C-N 3.34Å; Q817-L819 PolarHBondContact O-N 3.15Å; Q817-D1080 WeakPolarHBondContact CA-O 3.32Å; Q817-D1080 WeakPolarHBondContact CG-O 3.37Å; Q817-L1081 WeakPolarHBondContact O-CD2 3.3Å; Q817-S1082 PolarHBondContact OE1-OG 2.92Å |
| 818 | C | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -91.6 | 35.4 | -173.7 | -74.8 | 0 | 0 | 0 | 0 | 114.2 | F721 L814 R815 D820 A821 H826 | F721-C818 VanDerWaalsContact CE2-SG 3.53Å; L814-C818 PolarHBondContact O-N 3.09Å; L814-C818 PolarHBondContact O-SG 3.27Å; R815-C818 PolarHBondContact O-N 2.73Å; C818-D820 PolarHBondContact O-N 2.79Å; C818-A821 HydrophobicContact CB-CB 3.92Å; C818-A821 WeakPolarHBondContact O-CB 3.23Å; C818-A821 PolarHBondContact O-N 2.84Å; C818-H826 PolarHBondContact O-CE1 3.37Å; C818-H826 VanDerWaalsContact O-CE1 3.23Å; C818-H826 PolarHBondContact O-NE2 2.91Å; C818-H826 VanDerWaalsContact O-NE2 3.11Å | ||
| 819 | L | 90.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -34.6 | 178.5 | 170.4 | 64 | 0 | 0 | 0 | 113.8 | Q817 T933 R980 I982 L1071 W1079 L1081 | Q817-L819 VanDerWaalsContact C-N 3.34Å; Q817-L819 PolarHBondContact O-N 3.15Å; L819-T933 HydrophobicContact CD2-CG2 3.62Å; L819-R980 HydrophobicContact CD1-CB 4.17Å; L819-R980 VanDerWaalsContact O-CZ 3.26Å; L819-R980 PolarHBondContact O-NE 2.84Å; L819-R980 PolarHBondContact O-NH2 3.41Å; L819-I982 HydrophobicContact CD1-CD1 3.81Å; L819-I982 HydrophobicContact CD2-CD1 3.88Å; L819-I982 HydrophobicContact CD2-CG1 4.38Å; L819-L1071 HydrophobicContact CD2-CD1 3.6Å; L819-W1079 VanDerWaalsContact CA-CE3 3.44Å; L819-W1079 HydrophobicContact CB-CB 4.18Å; L819-W1079 HydrophobicContact CB-CD2 3.89Å; L819-W1079 HydrophobicContact CB-CE3 3.87Å; L819-W1079 HydrophobicContact CB-CG 4.05Å; L819-W1079 HydrophobicContact CD1-CB 4.39Å; L819-W1079 HydrophobicContact CD1-CD2 3.73Å; L819-W1079 HydrophobicContact CD1-CE3 4.46Å; L819-W1079 HydrophobicContact CD1-CG 3.66Å; L819-W1079 HydrophobicContact CD1-CZ2 4.47Å; L819-W1079 HydrophobicContact CG-CD2 4.4Å; L819-W1079 HydrophobicContact CG-CG 4.31Å; L819-L1081 HydrophobicContact CB-CD2 3.88Å; L819-L1081 HydrophobicContact CD2-CD1 4.12Å |
| 820 | D | 90.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 0.7 | -175 | -75.3 | -26.2 | 0 | 0 | 0 | 114.3 | C818 F925 R929 Q931 T932 T933 | C818-D820 PolarHBondContact O-N 2.79Å; D820-F925 VanDerWaalsContact C-CE2 3.45Å; D820-F925 HydrophobicContact CB-CE2 3.88Å; D820-F925 HydrophobicContact CB-CZ 3.98Å; D820-F925 VanDerWaalsContact O-CE2 3.28Å; D820-F925 WeakPolarHBondContact O-CE2 3.35Å; D820-R929 IonicContact OD2-CZ 3.57Å; D820-R929 VanDerWaalsContact OD2-CZ 3.28Å; D820-R929 IonicContact OD2-NE 3.89Å; D820-R929 PolarHBondContact OD2-NE 3.36Å; D820-R929 IonicContact OD2-NH2 3.92Å; D820-R929 PolarHBondContact OD2-NH2 2.83Å; D820-Q931 HydrophobicContact CB-CB 4.49Å; D820-Q931 VanDerWaalsContact CB-O 3.23Å; D820-Q931 WeakPolarHBondContact CB-O 3.32Å; D820-Q931 VanDerWaalsContact CG-O 3.25Å; D820-Q931 WeakPolarHBondContact OD1-CG 3.5Å; D820-Q931 PolarHBondContact OD1-NE2 3.39Å; D820-T932 VanDerWaalsContact OD2-CA 3.28Å; D820-T932 WeakPolarHBondContact OD2-CA 3.5Å; D820-T933 WeakPolarHBondContact OD1-CB 3.38Å; D820-T933 PolarHBondContact OD1-N 3.29Å; D820-T933 PolarHBondContact OD1-OG1 2.86Å; D820-T933 PolarHBondContact OD2-N 3.36Å |
| 821 | A | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -75.4 | 144.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | C818 T825 H826 F925 R980 | C818-A821 HydrophobicContact CB-CB 3.92Å; C818-A821 WeakPolarHBondContact O-CB 3.23Å; C818-A821 PolarHBondContact O-N 2.84Å; A821-T825 HydrophobicContact CB-CG2 3.83Å; A821-H826 PolarHBondContact O-CD2 3.05Å; A821-H826 PolarHBondContact O-NE2 2.77Å; A821-F925 VanDerWaalsContact CA-CD2 3.5Å; A821-F925 HydrophobicContact CB-CB 4.08Å; A821-F925 HydrophobicContact CB-CD1 3.85Å; A821-F925 HydrophobicContact CB-CD2 3.94Å; A821-F925 HydrophobicContact CB-CE1 4.21Å; A821-F925 HydrophobicContact CB-CE2 4.25Å; A821-F925 HydrophobicContact CB-CG 3.71Å; A821-F925 HydrophobicContact CB-CZ 4.39Å; A821-R980 PolarHBondContact O-NH2 2.88Å |
| 822 | D | 88.3 | Confident | 90 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | trans | -68.8 | 160.3 | 175.7 | 62.5 | -57.2 | 0 | 0 | 0 | 112 | E824 T825 H826 L930 | D822-E824 VanDerWaalsContact C-N 3.26Å; D822-E824 PolarHBondContact O-N 3.45Å; D822-T825 WeakPolarHBondContact O-CB 3.49Å; D822-T825 PolarHBondContact O-N 3.16Å; D822-T825 WeakPolarHBondContact OD1-CB 3.31Å; D822-T825 PolarHBondContact OD1-OG1 3.45Å; D822-H826 PolarHBondContact O-CD2 3.05Å; D822-H826 PolarHBondContact O-N 3.01Å; D822-L930 HydrophobicContact CB-CD1 4.32Å | ||
| 823 | L | 86.1 | Confident | 90 | Very high | 99 Ų | 99 | 25.4 Ų | 25.4 | 52% | 0.518 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -54 | -41.3 | -176.3 | -177.8 | 61.4 | 0 | 0 | 0 | 112.5 | T825 H826 R827 | L823-T825 VanDerWaalsContact C-N 3.31Å; L823-T825 PolarHBondContact O-N 3.25Å; L823-H826 WeakPolarHBondContact O-CB 3.3Å; L823-H826 PolarHBondContact O-N 3.49Å; L823-H826 VanDerWaalsContact O-N 3.11Å; L823-R827 WeakPolarHBondContact O-CG 3.5Å; L823-R827 PolarHBondContact O-N 3.46Å |
| 824 | E | 83.9 | Confident | 90 | Very high | 61 Ų | 61 | 24.3 Ų | 24.3 | 29% | 0.285 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -65.6 | -34.3 | 180 | -161.4 | 62.5 | -164.4 | 0 | 0 | 112.5 | D822 R827 H828 S876 | D822-E824 VanDerWaalsContact C-N 3.26Å; D822-E824 PolarHBondContact O-N 3.45Å; E824-R827 PolarHBondContact O-N 3.13Å; E824-R827 IonicContact OE2-NH1 2.77Å; E824-R827 PolarHBondContact OE2-NH1 3.49Å; E824-H828 WeakPolarHBondContact O-CB 3.44Å; E824-H828 PolarHBondContact O-N 3.31Å; E824-S876 PolarHBondContact OE1-OG 3.41Å |
| 825 | T | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 172.5 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | F721 A821 D822 L823 H828 L829 P923 R924 F925 | F721-T825 HydrophobicContact CZ-CG2 4.26Å; A821-T825 HydrophobicContact CB-CG2 3.83Å; D822-T825 WeakPolarHBondContact O-CB 3.49Å; D822-T825 PolarHBondContact O-N 3.16Å; D822-T825 WeakPolarHBondContact OD1-CB 3.31Å; D822-T825 PolarHBondContact OD1-OG1 3.45Å; L823-T825 VanDerWaalsContact C-N 3.31Å; L823-T825 PolarHBondContact O-N 3.25Å; T825-H828 PolarHBondContact O-N 3.12Å; T825-L829 HydrophobicContact CG2-CD1 4.46Å; T825-L829 WeakPolarHBondContact O-CG 3.21Å; T825-L829 PolarHBondContact O-N 3.39Å; T825-P923 HydrophobicContact CG2-CB 3.66Å; T825-R924 PolarHBondContact OG1-N 3.26Å; T825-F925 HydrophobicContact CG2-CB 3.75Å; T825-F925 WeakPolarHBondContact OG1-CB 3.43Å; T825-F925 PolarHBondContact OG1-N 3.11Å |
| 826 | H | 90 | Very high | 90 | Very high | 26 Ų | 26 | 21 Ų | 21 | 12% | 0.12 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 174.9 | -77.2 | -73.1 | 0 | 0 | 0 | 112.5 | C818 A821 D822 L823 H828 L829 E830 R980 W1079 | C818-H826 PolarHBondContact O-CE1 3.37Å; C818-H826 VanDerWaalsContact O-CE1 3.23Å; C818-H826 PolarHBondContact O-NE2 2.91Å; C818-H826 VanDerWaalsContact O-NE2 3.11Å; A821-H826 PolarHBondContact O-CD2 3.05Å; A821-H826 PolarHBondContact O-NE2 2.77Å; D822-H826 PolarHBondContact O-CD2 3.05Å; D822-H826 PolarHBondContact O-N 3.01Å; L823-H826 WeakPolarHBondContact O-CB 3.3Å; L823-H826 PolarHBondContact O-N 3.49Å; L823-H826 VanDerWaalsContact O-N 3.11Å; H826-H828 VanDerWaalsContact C-N 3.28Å; H826-H828 PolarHBondContact O-N 3.43Å; H826-L829 PolarHBondContact O-N 2.88Å; H826-E830 WeakPolarHBondContact O-CB 3.39Å; H826-E830 PolarHBondContact O-N 3.01Å; H826-R980 PolarHBondContact CD2-NH1 3.48Å; H826-R980 PolarHBondContact NE2-NH1 3.18Å; H826-R980 PolarHBondContact NE2-NH2 2.89Å; H826-W1079 AromaticContact CE1-CH2 3.49Å; H826-W1079 VanDerWaalsContact CE1-CH2 3.49Å; H826-W1079 WeakPolarHBondContact CE1-CH2 3.47Å; H826-W1079 AromaticContact CE1-CZ3 3.59Å; H826-W1079 AromaticContact NE2-CH2 3.91Å |
| 827 | R | 87 | Confident | 90 | Very high | 79 Ų | 79 | 23.2 Ų | 23.2 | 30% | 0.298 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -58.7 | -42 | 175.9 | -67.9 | -179.5 | 171.4 | 163.6 | -6.3 | 111.8 | L823 E824 E830 A831 Y874 | L823-R827 WeakPolarHBondContact O-CG 3.5Å; L823-R827 PolarHBondContact O-N 3.46Å; E824-R827 PolarHBondContact O-N 3.13Å; E824-R827 IonicContact OE2-NH1 2.77Å; E824-R827 PolarHBondContact OE2-NH1 3.49Å; R827-E830 PolarHBondContact O-N 2.86Å; R827-A831 WeakPolarHBondContact O-CB 3.41Å; R827-A831 PolarHBondContact O-N 3.31Å; R827-Y874 HydrophobicContact CB-CD1 4.02Å; R827-Y874 HydrophobicContact CB-CD2 3.88Å; R827-Y874 HydrophobicContact CB-CE1 4.28Å; R827-Y874 HydrophobicContact CB-CE2 4.12Å; R827-Y874 HydrophobicContact CB-CG 3.82Å; R827-Y874 VanDerWaalsContact CD-CD1 3.44Å; R827-Y874 HydrophobicContact CG-CD1 3.55Å; R827-Y874 HydrophobicContact CG-CD2 4.09Å; R827-Y874 HydrophobicContact CG-CE1 3.45Å; R827-Y874 VanDerWaalsContact CG-CE1 3.45Å; R827-Y874 HydrophobicContact CG-CE2 3.97Å; R827-Y874 HydrophobicContact CG-CG 3.89Å |
| 828 | H | 90.3 | Very high | 90 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 174.6 | 179.8 | 66.5 | 0 | 0 | 0 | 112.4 | Y725 E824 T825 H826 E830 A831 I832 D877 H921 | Y725-H828 AromaticContact CE2-NE2 3.65Å; Y725-H828 AromaticContact CZ-NE2 3.81Å; Y725-H828 PolarHBondContact OH-NE2 2.99Å; Y725-H828 VanDerWaalsContact OH-NE2 3.1Å; E824-H828 WeakPolarHBondContact O-CB 3.44Å; E824-H828 PolarHBondContact O-N 3.31Å; T825-H828 PolarHBondContact O-N 3.12Å; H826-H828 VanDerWaalsContact C-N 3.28Å; H826-H828 PolarHBondContact O-N 3.43Å; H828-E830 VanDerWaalsContact C-N 3.35Å; H828-E830 PolarHBondContact O-N 3.33Å; H828-A831 WeakPolarHBondContact O-CB 3.42Å; H828-A831 PolarHBondContact O-N 2.97Å; H828-I832 WeakPolarHBondContact O-CG1 3.49Å; H828-I832 PolarHBondContact O-N 3.18Å; H828-I832 VanDerWaalsContact O-N 3.1Å; H828-D877 WeakPolarHBondContact CA-OD2 3.27Å; H828-D877 WeakPolarHBondContact CB-OD2 3.35Å; H828-D877 IonicContact CE1-OD2 3.14Å; H828-D877 IonicContact CG-OD2 3.89Å; H828-D877 IonicContact ND1-OD1 3.29Å; H828-D877 IonicContact ND1-OD2 3.64Å; H828-D877 PolarHBondContact ND1-OD2 3.19Å; H828-H921 AromaticContact CE1-ND1 4Å; H828-H921 AromaticContact CG-CE1 3.94Å; H828-H921 AromaticContact ND1-CE1 3.34Å; H828-H921 PolarHBondContact ND1-CE1 3.29Å; H828-H921 VanDerWaalsContact ND1-CE1 3.34Å; H828-H921 AromaticContact ND1-ND1 3.74Å |
| 829 | L | 92 | Very high | 90 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.3 | -37.7 | 177 | -66.6 | 178.8 | 0 | 0 | 0 | 112.1 | Y725 L814 R815 T825 H826 I832 T833 | Y725-L829 HydrophobicContact CD2-CD2 4.39Å; L814-L829 HydrophobicContact CD2-CD1 4.4Å; L814-L829 HydrophobicContact CD2-CD2 4.05Å; L814-L829 HydrophobicContact CG-CD1 4.43Å; R815-L829 HydrophobicContact CG-CB 3.8Å; R815-L829 HydrophobicContact CG-CD1 3.99Å; T825-L829 HydrophobicContact CG2-CD1 4.46Å; T825-L829 WeakPolarHBondContact O-CG 3.21Å; T825-L829 PolarHBondContact O-N 3.39Å; H826-L829 PolarHBondContact O-N 2.88Å; L829-I832 HydrophobicContact CD2-CD1 4.46Å; L829-I832 PolarHBondContact O-N 2.96Å; L829-T833 PolarHBondContact O-N 3.44Å; L829-T833 PolarHBondContact O-OG1 3.18Å |
| 830 | E | 90.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 23.1 Ų | 23.1 | 21% | 0.21 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 172.5 | -168.9 | 77.9 | -119.1 | 0 | 0 | 111.3 | R815 H826 R827 H828 I832 T833 Q834 Y874 | R815-E830 IonicContact CZ-OE1 2.67Å; R815-E830 IonicContact CZ-OE2 3.84Å; R815-E830 IonicContact NH1-OE1 3.18Å; R815-E830 PolarHBondContact NH1-OE1 2.85Å; R815-E830 IonicContact NH1-OE2 2.72Å; R815-E830 PolarHBondContact NH1-OE2 2.91Å; R815-E830 IonicContact NH2-OE1 2.77Å; R815-E830 IonicContact NH2-OE2 2.75Å; R815-E830 PolarHBondContact NH2-OE2 3.08Å; H826-E830 WeakPolarHBondContact O-CB 3.39Å; H826-E830 PolarHBondContact O-N 3.01Å; R827-E830 PolarHBondContact O-N 2.86Å; H828-E830 VanDerWaalsContact C-N 3.35Å; H828-E830 PolarHBondContact O-N 3.33Å; E830-I832 VanDerWaalsContact C-N 3.25Å; E830-I832 PolarHBondContact O-N 3.33Å; E830-T833 CarbonylContact O-C 3.55Å; E830-T833 WeakPolarHBondContact O-CA 3.37Å; E830-T833 VanDerWaalsContact O-CB 3.29Å; E830-T833 WeakPolarHBondContact O-CB 3.47Å; E830-T833 PolarHBondContact O-N 3.23Å; E830-Q834 HydrophobicContact CG-CG 4.48Å; E830-Q834 WeakPolarHBondContact O-CG 3.41Å; E830-Q834 PolarHBondContact O-N 3.15Å; E830-Y874 HydrophobicContact CB-CD2 4.36Å; E830-Y874 HydrophobicContact CB-CE2 3.88Å; E830-Y874 HydrophobicContact CG-CE2 3.88Å |
| 831 | A | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R827 H828 L835 D877 | R827-A831 WeakPolarHBondContact O-CB 3.41Å; R827-A831 PolarHBondContact O-N 3.31Å; H828-A831 WeakPolarHBondContact O-CB 3.42Å; H828-A831 PolarHBondContact O-N 2.97Å; A831-L835 PolarHBondContact O-N 3.2Å; A831-L835 VanDerWaalsContact O-N 3.08Å; A831-D877 HydrophobicContact CB-CB 4.11Å; A831-D877 WeakPolarHBondContact CB-OD1 3.4Å |
| 832 | I | 92.2 | Very high | 89 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 170.9 | -60.4 | 168.8 | 0 | 0 | 0 | 110.7 | Y725 I728 I811 H828 L829 E830 L835 V836 Y879 | Y725-I832 HydrophobicContact CE2-CD1 4.39Å; I728-I832 HydrophobicContact CG2-CG2 4.41Å; I811-I832 HydrophobicContact CD1-CG2 3.73Å; I811-I832 HydrophobicContact CG1-CG2 4.42Å; H828-I832 WeakPolarHBondContact O-CG1 3.49Å; H828-I832 PolarHBondContact O-N 3.18Å; H828-I832 VanDerWaalsContact O-N 3.1Å; L829-I832 HydrophobicContact CD2-CD1 4.46Å; L829-I832 PolarHBondContact O-N 2.96Å; E830-I832 VanDerWaalsContact C-N 3.25Å; E830-I832 PolarHBondContact O-N 3.33Å; I832-L835 PolarHBondContact O-N 3.24Å; I832-V836 WeakPolarHBondContact O-CG2 3.06Å; I832-V836 PolarHBondContact O-N 3.34Å; I832-Y879 HydrophobicContact CD1-CE2 4.48Å; I832-Y879 HydrophobicContact CG1-CD2 3.66Å; I832-Y879 HydrophobicContact CG1-CE2 3.96Å; I832-Y879 HydrophobicContact CG1-CG 4.47Å |
| 833 | T | 92.1 | Very high | 88.7 | Confident | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | I811 R815 L829 E830 L835 V836 E837 | I811-T833 VanDerWaalsContact CG2-OG1 3.23Å; I811-T833 WeakPolarHBondContact CG2-OG1 3.24Å; R815-T833 PolarHBondContact NH1-OG1 3Å; L829-T833 PolarHBondContact O-N 3.44Å; L829-T833 PolarHBondContact O-OG1 3.18Å; E830-T833 CarbonylContact O-C 3.55Å; E830-T833 WeakPolarHBondContact O-CA 3.37Å; E830-T833 VanDerWaalsContact O-CB 3.29Å; E830-T833 WeakPolarHBondContact O-CB 3.47Å; E830-T833 PolarHBondContact O-N 3.23Å; T833-L835 VanDerWaalsContact C-N 3.28Å; T833-L835 PolarHBondContact O-N 3.2Å; T833-V836 WeakPolarHBondContact O-CB 3.31Å; T833-V836 PolarHBondContact O-N 3.11Å; T833-E837 HydrophobicContact CG2-CG 4.35Å; T833-E837 WeakPolarHBondContact O-CG 3.34Å; T833-E837 PolarHBondContact O-N 3.43Å |
| 834 | Q | 90 | Very high | 88.3 | Confident | 34 Ų | 34 | 20.8 Ų | 20.8 | 16% | 0.159 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.9 | -37.7 | 178.5 | -69.4 | 176.2 | 10.3 | 0 | 0 | 112.4 | E830 F838 | E830-Q834 HydrophobicContact CG-CG 4.48Å; E830-Q834 WeakPolarHBondContact O-CG 3.41Å; E830-Q834 PolarHBondContact O-N 3.15Å; Q834-F838 WeakPolarHBondContact O-CB 3.47Å; Q834-F838 PolarHBondContact O-N 2.9Å |
| 835 | L | 91.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 174 | -179.4 | 68.8 | 0 | 0 | 0 | 111.8 | L732 A831 I832 T833 F838 F839 Y879 I882 V883 L886 V915 | L732-L835 HydrophobicContact CD1-CD2 4.46Å; L732-L835 HydrophobicContact CD2-CD2 4.46Å; A831-L835 PolarHBondContact O-N 3.2Å; A831-L835 VanDerWaalsContact O-N 3.08Å; I832-L835 PolarHBondContact O-N 3.24Å; T833-L835 VanDerWaalsContact C-N 3.28Å; T833-L835 PolarHBondContact O-N 3.2Å; L835-F838 WeakPolarHBondContact O-CB 3.42Å; L835-F838 PolarHBondContact O-N 2.95Å; L835-F839 HydrophobicContact CD1-CD2 4.24Å; L835-F839 HydrophobicContact CD1-CE2 3.85Å; L835-F839 HydrophobicContact CG-CD2 4.24Å; L835-F839 HydrophobicContact CG-CE2 4.14Å; L835-F839 VanDerWaalsContact O-CD2 3.3Å; L835-F839 WeakPolarHBondContact O-CD2 3.37Å; L835-F839 PolarHBondContact O-N 2.9Å; L835-F839 VanDerWaalsContact O-N 3.14Å; L835-Y879 HydrophobicContact CD2-CD1 3.54Å; L835-Y879 HydrophobicContact CD2-CE1 3.62Å; L835-Y879 HydrophobicContact CD2-CG 4.37Å; L835-I882 HydrophobicContact CD1-CG2 4.22Å; L835-V883 HydrophobicContact CB-CG2 4.16Å; L835-V883 HydrophobicContact CD1-CG2 4.07Å; L835-L886 HydrophobicContact CD1-CD1 4.23Å; L835-V915 HydrophobicContact CD1-CG1 4.41Å; L835-V915 HydrophobicContact CD1-CG2 3.96Å; L835-V915 HydrophobicContact CD2-CG1 3.77Å |
| 836 | V | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 177.3 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | W804 L807 I811 I832 T833 F839 N840 | W804-V836 HydrophobicContact CE3-CB 4.36Å; W804-V836 HydrophobicContact CE3-CG1 4.12Å; W804-V836 HydrophobicContact CE3-CG2 4.18Å; W804-V836 HydrophobicContact CZ3-CB 4.49Å; W804-V836 HydrophobicContact CZ3-CG2 4.04Å; L807-V836 HydrophobicContact CD2-CG2 3.74Å; L807-V836 HydrophobicContact CG-CG2 4.01Å; I811-V836 HydrophobicContact CD1-CB 4.46Å; I811-V836 HydrophobicContact CD1-CG2 3.73Å; I832-V836 WeakPolarHBondContact O-CG2 3.06Å; I832-V836 PolarHBondContact O-N 3.34Å; T833-V836 WeakPolarHBondContact O-CB 3.31Å; T833-V836 PolarHBondContact O-N 3.11Å; V836-F839 PolarHBondContact O-N 3.17Å; V836-N840 PolarHBondContact O-N 3.06Å |
| 837 | E | 90.6 | Very high | 85.6 | Confident | 76 Ų | 76 | 24 Ų | 24 | 36% | 0.355 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -60 | -45 | 173.7 | -73.1 | 174.7 | 174.1 | 0 | 0 | 111.7 | T833 F839 N840 E841 | T833-E837 HydrophobicContact CG2-CG 4.35Å; T833-E837 WeakPolarHBondContact O-CG 3.34Å; T833-E837 PolarHBondContact O-N 3.43Å; E837-F839 VanDerWaalsContact C-N 3.31Å; E837-F839 PolarHBondContact O-N 3.41Å; E837-N840 WeakPolarHBondContact O-CB 3.4Å; E837-N840 PolarHBondContact O-N 2.92Å; E837-N840 VanDerWaalsContact O-N 3.11Å; E837-E841 WeakPolarHBondContact O-CG 3.23Å; E837-E841 PolarHBondContact O-N 2.93Å |
| 838 | F | 90 | Very high | 84.2 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55 | -44.1 | 173.9 | 165.6 | -92.6 | 0 | 0 | 0 | 112.3 | Q834 L835 E841 L842 V883 L886 R887 I890 I911 | Q834-F838 WeakPolarHBondContact O-CB 3.47Å; Q834-F838 PolarHBondContact O-N 2.9Å; L835-F838 WeakPolarHBondContact O-CB 3.42Å; L835-F838 PolarHBondContact O-N 2.95Å; F838-E841 PolarHBondContact O-N 2.81Å; F838-L842 HydrophobicContact CE1-CD2 4.35Å; F838-L842 WeakPolarHBondContact O-CB 3.47Å; F838-L842 PolarHBondContact O-N 2.8Å; F838-V883 HydrophobicContact CB-CG1 4.34Å; F838-L886 HydrophobicContact CD1-CD1 4.24Å; F838-L886 HydrophobicContact CE1-CB 4.04Å; F838-L886 HydrophobicContact CE1-CD1 3.78Å; F838-L886 HydrophobicContact CE2-CB 3.86Å; F838-L886 HydrophobicContact CZ-CB 3.5Å; F838-L886 HydrophobicContact CZ-CD1 4.15Å; F838-L886 HydrophobicContact CZ-CG 4.43Å; F838-R887 HydrophobicContact CD2-CG 3.84Å; F838-R887 HydrophobicContact CE2-CG 3.87Å; F838-I890 HydrophobicContact CE2-CD1 3.58Å; F838-I890 HydrophobicContact CZ-CD1 3.51Å; F838-I911 HydrophobicContact CE1-CG2 3.96Å; F838-I911 HydrophobicContact CZ-CG2 4.32Å |
| 839 | F | 90.4 | Very high | 82 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.7 | -34.9 | 177.1 | -83.3 | -73.6 | 0 | 0 | 0 | 112.9 | L736 L739 W804 L835 V836 E837 L842 L843 L908 I911 I912 V915 | L736-F839 HydrophobicContact CD2-CD2 4.46Å; L736-F839 HydrophobicContact CD2-CE1 4.16Å; L736-F839 HydrophobicContact CD2-CE2 3.72Å; L736-F839 HydrophobicContact CD2-CZ 3.54Å; L739-F839 HydrophobicContact CD2-CD1 3.61Å; L739-F839 HydrophobicContact CD2-CE1 3.92Å; W804-F839 HydrophobicContact CD2-CB 4Å; W804-F839 HydrophobicContact CE3-CB 3.76Å; W804-F839 HydrophobicContact CE3-CG 4.42Å; W804-F839 HydrophobicContact CH2-CB 3.66Å; W804-F839 HydrophobicContact CH2-CD1 4.07Å; W804-F839 AromaticContact CH2-CD2 3.3Å; W804-F839 HydrophobicContact CH2-CD2 3.3Å; W804-F839 AromaticContact CH2-CE2 3.91Å; W804-F839 HydrophobicContact CH2-CE2 3.91Å; W804-F839 AromaticContact CH2-CG 3.4Å; W804-F839 HydrophobicContact CH2-CG 3.4Å; W804-F839 VanDerWaalsContact CH2-CG 3.4Å; W804-F839 HydrophobicContact CZ2-CB 3.9Å; W804-F839 HydrophobicContact CZ2-CD1 4.04Å; W804-F839 HydrophobicContact CZ2-CD2 4.11Å; W804-F839 AromaticContact CZ2-CG 3.76Å; W804-F839 HydrophobicContact CZ2-CG 3.76Å; W804-F839 HydrophobicContact CZ3-CB 3.59Å; W804-F839 AromaticContact CZ3-CD2 3.6Å; W804-F839 HydrophobicContact CZ3-CD2 3.6Å; W804-F839 AromaticContact CZ3-CG 3.77Å; W804-F839 HydrophobicContact CZ3-CG 3.77Å; L835-F839 HydrophobicContact CD1-CD2 4.24Å; L835-F839 HydrophobicContact CD1-CE2 3.85Å; L835-F839 HydrophobicContact CG-CD2 4.24Å; L835-F839 HydrophobicContact CG-CE2 4.14Å; L835-F839 VanDerWaalsContact O-CD2 3.3Å; L835-F839 WeakPolarHBondContact O-CD2 3.37Å; L835-F839 PolarHBondContact O-N 2.9Å; L835-F839 VanDerWaalsContact O-N 3.14Å; V836-F839 PolarHBondContact O-N 3.17Å; E837-F839 VanDerWaalsContact C-N 3.31Å; E837-F839 PolarHBondContact O-N 3.41Å; F839-L842 HydrophobicContact CD1-CD2 4.21Å; F839-L842 HydrophobicContact CE1-CD2 4.41Å; F839-L842 PolarHBondContact O-N 3.05Å; F839-L843 WeakPolarHBondContact O-CB 3.23Å; F839-L843 VanDerWaalsContact O-CG 3.26Å; F839-L843 WeakPolarHBondContact O-CG 3.41Å; F839-L843 PolarHBondContact O-N 2.94Å; F839-L908 HydrophobicContact CE1-CD1 4.44Å; F839-I911 HydrophobicContact CE1-CG2 4.05Å; F839-I911 HydrophobicContact CZ-CG2 4.05Å; F839-I912 HydrophobicContact CE1-CG1 4.08Å; F839-I912 HydrophobicContact CZ-CG1 4.22Å; F839-V915 HydrophobicContact CE2-CG2 4.07Å; F839-V915 HydrophobicContact CZ-CG2 4.06Å |
| 840 | N | 86.8 | Confident | 79.4 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 172.6 | -82.9 | -31.2 | 0 | 0 | 0 | 112 | W804 N805 V836 E837 L843 S844 | W804-N840 WeakPolarHBondContact CB-OD1 3.31Å; N805-N840 PolarHBondContact OD1-ND2 3.46Å; V836-N840 PolarHBondContact O-N 3.06Å; E837-N840 WeakPolarHBondContact O-CB 3.4Å; E837-N840 PolarHBondContact O-N 2.92Å; E837-N840 VanDerWaalsContact O-N 3.11Å; N840-L843 PolarHBondContact O-N 3.3Å; N840-S844 PolarHBondContact O-N 3.19Å |
| 841 | E | 83 | Confident | 76.7 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 173 | -71.6 | 171.7 | -148.6 | 0 | 0 | 111.1 | E837 F838 L843 S844 L845 F862 H866 R887 | E837-E841 WeakPolarHBondContact O-CG 3.23Å; E837-E841 PolarHBondContact O-N 2.93Å; F838-E841 PolarHBondContact O-N 2.81Å; E841-L843 VanDerWaalsContact C-N 3.32Å; E841-L843 PolarHBondContact O-N 3.3Å; E841-S844 PolarHBondContact O-N 3.04Å; E841-S844 VanDerWaalsContact O-N 3.16Å; E841-S844 PolarHBondContact O-OG 3.23Å; E841-L845 PolarHBondContact O-N 3.21Å; E841-F862 WeakPolarHBondContact OE2-CE1 3.3Å; E841-H866 IonicContact OE1-NE2 3.93Å; E841-R887 IonicContact OE1-NH1 3.98Å; E841-R887 IonicContact OE1-NH2 3.07Å; E841-R887 PolarHBondContact OE1-NH2 2.77Å; E841-R887 IonicContact OE2-CZ 3.34Å; E841-R887 IonicContact OE2-NH1 2.67Å; E841-R887 PolarHBondContact OE2-NH1 3.37Å; E841-R887 IonicContact OE2-NH2 3.09Å; E841-R887 PolarHBondContact OE2-NH2 3.06Å; E841-R887 VanDerWaalsContact OE2-NH2 3.09Å |
| 842 | L | 82 | Confident | 74 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 177 | -176 | 61.3 | 0 | 0 | 0 | 111.9 | F838 F839 L845 I846 I890 V904 L908 I911 | F838-L842 HydrophobicContact CE1-CD2 4.35Å; F838-L842 WeakPolarHBondContact O-CB 3.47Å; F838-L842 PolarHBondContact O-N 2.8Å; F839-L842 HydrophobicContact CD1-CD2 4.21Å; F839-L842 HydrophobicContact CE1-CD2 4.41Å; F839-L842 PolarHBondContact O-N 3.05Å; L842-L845 WeakPolarHBondContact O-CB 3.33Å; L842-L845 PolarHBondContact O-N 3.19Å; L842-I846 HydrophobicContact CG-CD1 4.28Å; L842-I846 VanDerWaalsContact O-CG1 3.27Å; L842-I846 WeakPolarHBondContact O-CG1 3.41Å; L842-I846 PolarHBondContact O-N 3.34Å; L842-I846 VanDerWaalsContact O-N 3.16Å; L842-I890 HydrophobicContact CD1-CD1 3.79Å; L842-V904 HydrophobicContact CD1-CG1 3.57Å; L842-V904 HydrophobicContact CG-CG1 4.44Å; L842-L908 HydrophobicContact CD2-CD1 3.51Å; L842-L908 HydrophobicContact CG-CD1 4.47Å; L842-I911 HydrophobicContact CD2-CD1 4.07Å |
| 843 | L | 81.7 | Confident | 71.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.3 | -75.5 | 170.9 | 0 | 0 | 0 | 111.9 | L739 C800 V801 W804 F839 N840 E841 L845 I846 D847 | L739-L843 HydrophobicContact CD1-CD2 3.69Å; C800-L843 HydrophobicContact CB-CD1 4.19Å; C800-L843 HydrophobicContact CB-CD2 4.27Å; V801-L843 HydrophobicContact CG2-CB 3.86Å; V801-L843 HydrophobicContact CG2-CD1 3.99Å; V801-L843 HydrophobicContact CG2-CG 4.45Å; W804-L843 VanDerWaalsContact CD1-CD1 3.47Å; W804-L843 HydrophobicContact CG-CD1 4.1Å; F839-L843 WeakPolarHBondContact O-CB 3.23Å; F839-L843 VanDerWaalsContact O-CG 3.26Å; F839-L843 WeakPolarHBondContact O-CG 3.41Å; F839-L843 PolarHBondContact O-N 2.94Å; N840-L843 PolarHBondContact O-N 3.3Å; E841-L843 VanDerWaalsContact C-N 3.32Å; E841-L843 PolarHBondContact O-N 3.3Å; L843-L845 VanDerWaalsContact C-N 3.27Å; L843-L845 PolarHBondContact O-N 3.23Å; L843-I846 PolarHBondContact O-N 3.24Å; L843-I846 VanDerWaalsContact O-N 3.14Å; L843-D847 PolarHBondContact O-N 3.17Å |
| 844 | S | 77 | Confident | 68.6 | Low | 34 Ų | 34 | 54 Ų | 54 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 176.6 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | N840 E841 | N840-S844 PolarHBondContact O-N 3.19Å; E841-S844 PolarHBondContact O-N 3.04Å; E841-S844 VanDerWaalsContact O-N 3.16Å; E841-S844 PolarHBondContact O-OG 3.23Å |
| 845 | L | 71.8 | Confident | 66.1 | Low | 78 Ų | 78 | 58.3 Ų | 58.3 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 174.1 | -175.2 | 67.8 | 0 | 0 | 0 | 111.9 | E841 L842 L843 V904 | E841-L845 PolarHBondContact O-N 3.21Å; L842-L845 WeakPolarHBondContact O-CB 3.33Å; L842-L845 PolarHBondContact O-N 3.19Å; L843-L845 VanDerWaalsContact C-N 3.27Å; L843-L845 PolarHBondContact O-N 3.23Å; L845-V904 HydrophobicContact CD2-CG2 4.4Å |
| 846 | I | 69.1 | Low | 63.6 | Low | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.4 | -32.4 | -179.5 | -62.6 | 163.9 | 0 | 0 | 0 | 112.3 | W796 I797 L842 L843 G848 V904 R905 | W796-I846 HydrophobicContact CH2-CG2 4.26Å; I797-I846 HydrophobicContact CD1-CB 4.36Å; I797-I846 HydrophobicContact CD1-CG2 3.72Å; L842-I846 HydrophobicContact CG-CD1 4.28Å; L842-I846 VanDerWaalsContact O-CG1 3.27Å; L842-I846 WeakPolarHBondContact O-CG1 3.41Å; L842-I846 PolarHBondContact O-N 3.34Å; L842-I846 VanDerWaalsContact O-N 3.16Å; L843-I846 PolarHBondContact O-N 3.24Å; L843-I846 VanDerWaalsContact O-N 3.14Å; I846-G848 PolarHBondContact O-N 2.94Å; I846-V904 HydrophobicContact CD1-CB 4.48Å; I846-V904 HydrophobicContact CD1-CG1 3.75Å; I846-V904 HydrophobicContact CG1-CB 3.94Å; I846-V904 HydrophobicContact CG1-CG1 3.56Å; I846-R905 HydrophobicContact CG2-CG 4.1Å |
| 847 | D | 66.6 | Low | 61 | Low | 62 Ų | 62 | 64.2 Ų | 64.2 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.3 | -24.6 | -177.2 | -162.9 | 38.4 | 0 | 0 | 0 | 112.9 | I797 L843 S849 | I797-D847 HydrophobicContact CD1-CB 4.32Å; I797-D847 HydrophobicContact CG2-CB 4.02Å; L843-D847 PolarHBondContact O-N 3.17Å; D847-S849 PolarHBondContact O-N 3.01Å; D847-S849 WeakPolarHBondContact OD2-CB 3.43Å; D847-S849 PolarHBondContact OD2-OG 3.46Å |
| 848 | G | 57.2 | Low | 58.7 | Low | 55 Ų | 55 | 63.3 Ų | 63.3 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | trans | 66.2 | 2.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I846 S850 | I846-G848 PolarHBondContact O-N 2.94Å; G848-S850 PolarHBondContact O-N 3.03Å | ||
| 849 | S | 45.3 | Very low | 56.5 | Low | 68 Ų | 68 | 70.3 Ų | 70.3 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | trans | -69 | -10.9 | 178.9 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | D847 Y851 | D847-S849 PolarHBondContact O-N 3.01Å; D847-S849 WeakPolarHBondContact OD2-CB 3.43Å; D847-S849 PolarHBondContact OD2-OG 3.46Å; S849-Y851 VanDerWaalsContact C-N 3.35Å; S849-Y851 WeakPolarHBondContact O-CD2 3.33Å; S849-Y851 PolarHBondContact O-N 3.47Å; S849-Y851 VanDerWaalsContact O-N 3.15Å | ||
| 850 | S | 36.9 | Very low | 54.2 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -83.1 | 80.7 | 164.3 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | G848 S852 | G848-S850 PolarHBondContact O-N 3.03Å; S850-S852 PolarHBondContact O-N 3.22Å |
| 851 | Y | 33.4 | Very low | 52 | Low | 193 Ų | 193 | 77.8 Ų | 77.8 | 76% | 0.757 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 128.7 | 174.8 | -77.9 | -96.1 | 0 | 0 | 0 | 112.6 | S849 L853 | S849-Y851 VanDerWaalsContact C-N 3.35Å; S849-Y851 WeakPolarHBondContact O-CD2 3.33Å; S849-Y851 PolarHBondContact O-N 3.47Å; S849-Y851 VanDerWaalsContact O-N 3.15Å; Y851-L853 PolarHBondContact O-N 3.47Å |
| 852 | S | 34.7 | Very low | 50.2 | Low | 118 Ų | 118 | 78.2 Ų | 78.2 | 83% | 0.825 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 20.1 | 158.6 | 79.6 | 0 | 0 | 0 | 0 | 120.2 | S850 K854 | S850-S852 PolarHBondContact O-N 3.22Å; S852-K854 PolarHBondContact O-N 3.14Å |
| 853 | L | 34 | Very low | 48.4 | Very low | 94 Ų | 94 | 81.4 Ų | 81.4 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | trans | -67.6 | 99.6 | 167.8 | -70.6 | 173.1 | 0 | 0 | 0 | 109.4 | Y851 F855 C857 Y861 | Y851-L853 PolarHBondContact O-N 3.47Å; L853-F855 PolarHBondContact O-N 3.11Å; L853-C857 HydrophobicContact CD2-CB 4.25Å; L853-Y861 HydrophobicContact CD1-CD2 4Å; L853-Y861 HydrophobicContact CD1-CE2 4.4Å | ||
| 854 | K | 35.8 | Very low | 46.3 | Very low | 172 Ų | 172 | 85.6 Ų | 85.6 | 75% | 0.748 | 47% | 0.471 | S | S | * | . | trans | -48.1 | 130.7 | 162.8 | -79.3 | 177.5 | 175.3 | 176.1 | 0 | 107.5 | S852 S856 C857 | S852-K854 PolarHBondContact O-N 3.14Å; K854-S856 PolarHBondContact O-N 3.36Å; K854-C857 PolarHBondContact O-N 2.88Å | ||
| 855 | F | 37.5 | Very low | 44.5 | Very low | 126 Ų | 126 | 92.4 Ų | 92.4 | 55% | 0.553 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -47.5 | -25.3 | -175.6 | -101.5 | -94.6 | 0 | 0 | 0 | 115 | L853 C857 I858 T897 | L853-F855 PolarHBondContact O-N 3.11Å; F855-C857 PolarHBondContact O-N 3.5Å; F855-I858 HydrophobicContact CD1-CD1 3.79Å; F855-I858 HydrophobicContact CE1-CD1 3.96Å; F855-I858 PolarHBondContact O-N 3.35Å; F855-T897 HydrophobicContact CE1-CG2 4.26Å; F855-T897 HydrophobicContact CZ-CG2 3.93Å; F855-T897 WeakPolarHBondContact CZ-OG1 3.46Å |
| 856 | S | 38.4 | Very low | 43 | Very low | 93 Ų | 93 | 91.4 Ų | 91.4 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -58.1 | -15.1 | 173.2 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | K854 | K854-S856 PolarHBondContact O-N 3.36Š|
| 857 | C | 38.6 | Very low | 41.2 | Very low | 31 Ų | 31 | 93.4 Ų | 93.4 | 21% | 0.209 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -98.8 | 9.4 | 179.5 | -66 | 0 | 0 | 0 | 0 | 114.6 | L853 K854 F855 E859 E860 Y861 | L853-C857 HydrophobicContact CD2-CB 4.25Å; K854-C857 PolarHBondContact O-N 2.88Å; F855-C857 PolarHBondContact O-N 3.5Å; C857-E859 VanDerWaalsContact C-N 3.29Å; C857-E860 HydrophobicContact CB-CB 4.29Å; C857-E860 CarbonylContact O-C 3.55Å; C857-E860 PolarHBondContact O-N 2.96Å; C857-E860 PolarHBondContact SG-OE2 3.27Å; C857-E860 VanDerWaalsContact SG-OE2 3.33Å; C857-Y861 WeakPolarHBondContact O-CA 3.4Å; C857-Y861 WeakPolarHBondContact O-CB 3.48Å; C857-Y861 PolarHBondContact O-N 2.83Å |
| 858 | I | 43.1 | Very low | 39.7 | Very low | 56 Ų | 56 | 95.2 Ų | 95.2 | 29% | 0.287 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 171.2 | -67.3 | 177.2 | 0 | 0 | 0 | 110.5 | F855 Y861 F862 | F855-I858 HydrophobicContact CD1-CD1 3.79Å; F855-I858 HydrophobicContact CE1-CD1 3.96Å; F855-I858 PolarHBondContact O-N 3.35Å; I858-Y861 PolarHBondContact O-N 3.07Å; I858-F862 HydrophobicContact CG2-CD2 3.58Å; I858-F862 HydrophobicContact CG2-CE2 3.55Å; I858-F862 VanDerWaalsContact O-CD2 3.32Å; I858-F862 WeakPolarHBondContact O-CD2 3.26Å; I858-F862 PolarHBondContact O-N 2.94Å; I858-F862 VanDerWaalsContact O-N 3.13Å |
| 859 | E | 42.6 | Very low | 38.7 | Very low | 151 Ų | 151 | 99.9 Ų | 99.9 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.3 | -49.8 | 169.9 | -110.5 | -173.1 | 170 | 0 | 0 | 111 | C857 Y861 S863 | C857-E859 VanDerWaalsContact C-N 3.29Å; E859-Y861 PolarHBondContact O-N 3.44Å; E859-S863 WeakPolarHBondContact O-CB 3.45Å; E859-S863 PolarHBondContact O-N 3.38Å; E859-S863 PolarHBondContact O-OG 3.49Å |
| 860 | E | 42.5 | Very low | 38.2 | Very low | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.6 | -33 | 176.1 | -102.3 | -179.2 | 166 | 0 | 0 | 112.8 | C857 S863 S864 | C857-E860 HydrophobicContact CB-CB 4.29Å; C857-E860 CarbonylContact O-C 3.55Å; C857-E860 PolarHBondContact O-N 2.96Å; C857-E860 PolarHBondContact SG-OE2 3.27Å; C857-E860 VanDerWaalsContact SG-OE2 3.33Å; E860-S863 PolarHBondContact O-N 2.77Å; E860-S864 WeakPolarHBondContact O-CA 3.07Å; E860-S864 WeakPolarHBondContact O-CB 3.47Å; E860-S864 PolarHBondContact O-N 3.15Å; E860-S864 PolarHBondContact O-OG 2.8Å |
| 861 | Y | 39.9 | Very low | 38.1 | Very low | 62 Ų | 62 | 104 Ų | 104 | 24% | 0.243 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -73.7 | -43.1 | -176.2 | -173.9 | -97.5 | 0 | 0 | 0 | 111.4 | L853 C857 I858 E859 S863 | L853-Y861 HydrophobicContact CD1-CD2 4Å; L853-Y861 HydrophobicContact CD1-CE2 4.4Å; C857-Y861 WeakPolarHBondContact O-CA 3.4Å; C857-Y861 WeakPolarHBondContact O-CB 3.48Å; C857-Y861 PolarHBondContact O-N 2.83Å; I858-Y861 PolarHBondContact O-N 3.07Å; E859-Y861 PolarHBondContact O-N 3.44Å; Y861-S863 VanDerWaalsContact C-N 3.33Å |
| 862 | F | 45.4 | Very low | 38.6 | Very low | 37 Ų | 37 | 101.5 Ų | 101.5 | 16% | 0.162 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -73.6 | -23.7 | 172.7 | -71.7 | -61.4 | 0 | 0 | 0 | 112.8 | E841 I858 H866 | E841-F862 WeakPolarHBondContact OE2-CE1 3.3Å; I858-F862 HydrophobicContact CG2-CD2 3.58Å; I858-F862 HydrophobicContact CG2-CE2 3.55Å; I858-F862 VanDerWaalsContact O-CD2 3.32Å; I858-F862 WeakPolarHBondContact O-CD2 3.26Å; I858-F862 PolarHBondContact O-N 2.94Å; I858-F862 VanDerWaalsContact O-N 3.13Å; F862-H866 PolarHBondContact O-CD2 3.49Å |
| 863 | S | 44.7 | Very low | 39 | Very low | 73 Ų | 73 | 98.6 Ų | 98.6 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -92.3 | -31.9 | 178.9 | -50.8 | 0 | 0 | 0 | 0 | 113.9 | E859 E860 Y861 H866 | E859-S863 WeakPolarHBondContact O-CB 3.45Å; E859-S863 PolarHBondContact O-N 3.38Å; E859-S863 PolarHBondContact O-OG 3.49Å; E860-S863 PolarHBondContact O-N 2.77Å; Y861-S863 VanDerWaalsContact C-N 3.33Å; S863-H866 PolarHBondContact O-N 3.1Å |
| 864 | S | 38.7 | Very low | 40 | Very low | 90 Ų | 90 | 97 Ų | 97 | 63% | 0.629 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -78.9 | -24.9 | -173.3 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | E860 H866 | E860-S864 WeakPolarHBondContact O-CA 3.07Å; E860-S864 WeakPolarHBondContact O-CB 3.47Å; E860-S864 PolarHBondContact O-N 3.15Å; E860-S864 PolarHBondContact O-OG 2.8Å; S864-H866 VanDerWaalsContact C-N 3.33Å |
| 865 | R | 39 | Very low | 40.9 | Very low | 178 Ų | 178 | 94.5 Ų | 94.5 | 67% | 0.672 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.1 | 174.8 | -114.1 | -178.7 | 179 | -179.9 | 0.9 | 113.9 | ||
| 866 | H | 39.7 | Very low | 42.2 | Very low | 57 Ų | 57 | 90.8 Ų | 90.8 | 26% | 0.264 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -119.8 | 82.7 | 179.6 | -61.4 | -56.8 | 0 | 0 | 0 | 108.9 | E841 F862 S863 S864 S868 F871 | E841-H866 IonicContact OE1-NE2 3.93Å; F862-H866 PolarHBondContact O-CD2 3.49Å; S863-H866 PolarHBondContact O-N 3.1Å; S864-H866 VanDerWaalsContact C-N 3.33Å; H866-S868 PolarHBondContact O-N 3.34Å; H866-F871 HydrophobicContact CB-CE2 4.3Å; H866-F871 HydrophobicContact CB-CZ 4.33Å |
| 867 | G | 31.4 | Very low | 44.2 | Very low | 56 Ų | 56 | 86.4 Ų | 86.4 | 58% | 0.577 | 46% | 0.461 | S | S | * | . | trans | -49.7 | 140.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N869 S870 | G867-N869 PolarHBondContact O-N 3.4Å; G867-S870 PolarHBondContact O-N 2.97Å | ||
| 868 | S | 35.5 | Very low | 46.2 | Very low | 100 Ų | 100 | 86.2 Ų | 86.2 | 70% | 0.699 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -4.9 | -168.2 | 56.8 | 0 | 0 | 0 | 0 | 117.5 | H866 | H866-S868 PolarHBondContact O-N 3.34Š|
| 869 | N | 35.8 | Very low | 48.2 | Very low | 154 Ų | 154 | 83.8 Ų | 83.8 | 82% | 0.824 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 2 | -170.3 | -68.6 | 4.1 | 0 | 0 | 0 | 115.2 | G867 | G867-N869 PolarHBondContact O-N 3.4Š|
| 870 | S | 33.7 | Very low | 50.1 | Low | 83 Ų | 83 | 76.7 Ų | 76.7 | 58% | 0.58 | 41% | 0.413 | S | S | * | . | trans | -111.9 | 11.8 | 177.8 | 90.7 | 0 | 0 | 0 | 0 | 115.9 | G867 H872 | G867-S870 PolarHBondContact O-N 2.97Å; S870-H872 VanDerWaalsContact C-N 3.27Å; S870-H872 PolarHBondContact O-N 3Å | ||
| 871 | F | 35.5 | Very low | 51.9 | Low | 136 Ų | 136 | 75.4 Ų | 75.4 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | trans | -75.5 | 75 | 177.8 | -79.6 | -83.7 | 0 | 0 | 0 | 112.2 | H866 | H866-F871 HydrophobicContact CB-CE2 4.3Å; H866-F871 HydrophobicContact CB-CZ 4.33Å | ||
| 872 | H | 43.6 | Very low | 54.1 | Low | 140 Ų | 140 | 73.3 Ų | 73.3 | 65% | 0.648 | 40% | 0.399 | S | S | * | . | trans | -115.5 | 80.6 | 152.8 | -68.1 | -39.7 | 0 | 0 | 0 | 107.9 | S870 Y874 | S870-H872 VanDerWaalsContact C-N 3.27Å; S870-H872 PolarHBondContact O-N 3Å; H872-Y874 HydrophobicContact CB-CE1 4.25Å; H872-Y874 PolarHBondContact O-N 2.61Å | ||
| 873 | T | 43.7 | Very low | 56 | Low | 57 Ų | 57 | 71.8 Ų | 71.8 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | trans | -62.6 | 115.8 | 157.8 | 40.5 | 0 | 0 | 0 | 0 | 106.6 | E875 P884 | T873-E875 VanDerWaalsContact C-N 3.29Å; T873-E875 PolarHBondContact O-N 2.85Å; T873-P884 HydrophobicContact CG2-CG 3.98Å | ||
| 874 | Y | 54.3 | Low | 57.8 | Low | 59 Ų | 59 | 70.7 Ų | 70.7 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | trans | -72.7 | 89.6 | -179.3 | -64.8 | -63.9 | 0 | 0 | 0 | 109.5 | R827 E830 H872 S876 D877 | R827-Y874 HydrophobicContact CB-CD1 4.02Å; R827-Y874 HydrophobicContact CB-CD2 3.88Å; R827-Y874 HydrophobicContact CB-CE1 4.28Å; R827-Y874 HydrophobicContact CB-CE2 4.12Å; R827-Y874 HydrophobicContact CB-CG 3.82Å; R827-Y874 VanDerWaalsContact CD-CD1 3.44Å; R827-Y874 HydrophobicContact CG-CD1 3.55Å; R827-Y874 HydrophobicContact CG-CD2 4.09Å; R827-Y874 HydrophobicContact CG-CE1 3.45Å; R827-Y874 VanDerWaalsContact CG-CE1 3.45Å; R827-Y874 HydrophobicContact CG-CE2 3.97Å; R827-Y874 HydrophobicContact CG-CG 3.89Å; E830-Y874 HydrophobicContact CB-CD2 4.36Å; E830-Y874 HydrophobicContact CB-CE2 3.88Å; E830-Y874 HydrophobicContact CG-CE2 3.88Å; H872-Y874 HydrophobicContact CB-CE1 4.25Å; H872-Y874 PolarHBondContact O-N 2.61Å; Y874-S876 PolarHBondContact O-N 3.38Å; Y874-D877 PolarHBondContact O-N 3.11Å | ||
| 875 | E | 54.4 | Low | 59.9 | Low | 121 Ų | 121 | 70 Ų | 70 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 0.5 | -179.6 | -64.4 | -175.9 | 174.7 | 0 | 0 | 113.9 | T873 K881 | T873-E875 VanDerWaalsContact C-N 3.29Å; T873-E875 PolarHBondContact O-N 2.85Å; E875-K881 WeakPolarHBondContact O-CE 3.41Å; E875-K881 PolarHBondContact O-NZ 2.98Å |
| 876 | S | 64.8 | Low | 62.1 | Low | 48 Ų | 48 | 61.5 Ų | 61.5 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -34.8 | 169.8 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | E824 Y874 | E824-S876 PolarHBondContact OE1-OG 3.41Å; Y874-S876 PolarHBondContact O-N 3.38Å |
| 877 | D | 80.6 | Confident | 64.2 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -85.8 | 134.3 | -168.2 | -171.6 | -81.9 | 0 | 0 | 0 | 112 | H828 A831 Y874 Y879 G880 K881 H921 | H828-D877 WeakPolarHBondContact CA-OD2 3.27Å; H828-D877 WeakPolarHBondContact CB-OD2 3.35Å; H828-D877 IonicContact CE1-OD2 3.14Å; H828-D877 IonicContact CG-OD2 3.89Å; H828-D877 IonicContact ND1-OD1 3.29Å; H828-D877 IonicContact ND1-OD2 3.64Å; H828-D877 PolarHBondContact ND1-OD2 3.19Å; A831-D877 HydrophobicContact CB-CB 4.11Å; A831-D877 WeakPolarHBondContact CB-OD1 3.4Å; Y874-D877 PolarHBondContact O-N 3.11Å; D877-Y879 VanDerWaalsContact C-N 3.27Å; D877-Y879 PolarHBondContact O-N 3.02Å; D877-Y879 WeakPolarHBondContact OD1-CA 3.32Å; D877-Y879 VanDerWaalsContact OD1-CB 3.29Å; D877-Y879 WeakPolarHBondContact OD1-CB 3.24Å; D877-Y879 PolarHBondContact OD1-N 2.78Å; D877-G880 PolarHBondContact O-N 3.45Å; D877-G880 VanDerWaalsContact O-N 3.11Å; D877-G880 PolarHBondContact OD1-N 3.28Å; D877-K881 WeakPolarHBondContact O-CG 3.41Å; D877-K881 PolarHBondContact O-N 3.06Å; D877-H921 IonicContact OD2-CE1 3.43Å; D877-H921 PolarHBondContact OD2-CE1 3.27Å; D877-H921 IonicContact OD2-NE2 3.58Å; D877-H921 PolarHBondContact OD2-NE2 3.24Å |
| 878 | P | 80.6 | Confident | 66.5 | Low | 27 Ų | 27 | 62.4 Ų | 62.4 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.7 | -37 | 178.6 | -26 | 34.2 | 0 | 0 | 0 | 114.2 | I882 L918 H921 | P878-I882 PolarHBondContact O-N 3.33Å; P878-L918 HydrophobicContact CB-CB 4.4Å; P878-L918 HydrophobicContact CB-CD2 4.27Å; P878-H921 VanDerWaalsContact CD-NE2 3.28Å; P878-H921 WeakPolarHBondContact CD-NE2 3.34Å |
| 879 | Y | 85.9 | Confident | 68.4 | Low | 6 Ų | 6 | 60 Ų | 60 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.2 | -36.5 | 176.8 | -72 | -52.4 | 0 | 0 | 0 | 112.5 | R729 I832 L835 D877 K881 I882 V883 V915 L918 T920 | R729-Y879 PolarHBondContact NH1-OH 3.26Å; I832-Y879 HydrophobicContact CD1-CE2 4.48Å; I832-Y879 HydrophobicContact CG1-CD2 3.66Å; I832-Y879 HydrophobicContact CG1-CE2 3.96Å; I832-Y879 HydrophobicContact CG1-CG 4.47Å; L835-Y879 HydrophobicContact CD2-CD1 3.54Å; L835-Y879 HydrophobicContact CD2-CE1 3.62Å; L835-Y879 HydrophobicContact CD2-CG 4.37Å; D877-Y879 VanDerWaalsContact C-N 3.27Å; D877-Y879 PolarHBondContact O-N 3.02Å; D877-Y879 WeakPolarHBondContact OD1-CA 3.32Å; D877-Y879 VanDerWaalsContact OD1-CB 3.29Å; D877-Y879 WeakPolarHBondContact OD1-CB 3.24Å; D877-Y879 PolarHBondContact OD1-N 2.78Å; Y879-K881 VanDerWaalsContact C-N 3.34Å; Y879-I882 WeakPolarHBondContact O-CG2 3.31Å; Y879-I882 PolarHBondContact O-N 3.38Å; Y879-V883 WeakPolarHBondContact O-CG2 3.47Å; Y879-V915 HydrophobicContact CE1-CG1 4.2Å; Y879-L918 HydrophobicContact CD1-CD1 3.56Å; Y879-L918 HydrophobicContact CE1-CD1 3.74Å; Y879-T920 HydrophobicContact CD2-CG2 4.26Å; Y879-T920 HydrophobicContact CE1-CG2 3.96Å; Y879-T920 HydrophobicContact CE2-CG2 3.41Å; Y879-T920 VanDerWaalsContact CE2-CG2 3.41Å; Y879-T920 VanDerWaalsContact OH-CG2 3.23Å; Y879-T920 WeakPolarHBondContact OH-CG2 3.47Å |
| 880 | G | 82.6 | Confident | 70.2 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D877 P884 | D877-G880 PolarHBondContact O-N 3.45Å; D877-G880 VanDerWaalsContact O-N 3.11Å; D877-G880 PolarHBondContact OD1-N 3.28Å; G880-P884 WeakPolarHBondContact O-CD 3.49Å |
| 881 | K | 80.3 | Confident | 72 | Confident | 99 Ų | 99 | 54.3 Ų | 54.3 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 178.4 | -73.5 | -175.4 | -178.4 | -173 | 0 | 114.1 | E875 D877 Y879 | E875-K881 WeakPolarHBondContact O-CE 3.41Å; E875-K881 PolarHBondContact O-NZ 2.98Å; D877-K881 WeakPolarHBondContact O-CG 3.41Å; D877-K881 PolarHBondContact O-N 3.06Å; Y879-K881 VanDerWaalsContact C-N 3.34Å |
| 882 | I | 85.2 | Confident | 73.5 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.5 | -32.8 | -173.8 | -155.4 | 56.2 | 0 | 0 | 0 | 111.7 | L835 P878 Y879 V885 L886 L918 | L835-I882 HydrophobicContact CD1-CG2 4.22Å; P878-I882 PolarHBondContact O-N 3.33Å; Y879-I882 WeakPolarHBondContact O-CG2 3.31Å; Y879-I882 PolarHBondContact O-N 3.38Å; I882-V885 HydrophobicContact CD1-CB 4.34Å; I882-V885 HydrophobicContact CD1-CG1 4.45Å; I882-V885 CarbonylContact O-C 3.5Å; I882-V885 WeakPolarHBondContact O-CA 3.19Å; I882-V885 WeakPolarHBondContact O-CB 3.4Å; I882-V885 PolarHBondContact O-N 3.03Å; I882-L886 HydrophobicContact CG1-CD1 4.17Å; I882-L886 HydrophobicContact CG1-CD2 4.27Å; I882-L886 HydrophobicContact CG1-CG 4Å; I882-L886 HydrophobicContact CG2-CD1 4.16Å; I882-L886 WeakPolarHBondContact O-CG 3.36Å; I882-L886 PolarHBondContact O-N 3.25Å; I882-L918 HydrophobicContact CB-CD1 3.79Å; I882-L918 HydrophobicContact CB-CD2 4.15Å; I882-L918 HydrophobicContact CB-CG 4.48Å; I882-L918 HydrophobicContact CD1-CD2 4.18Å; I882-L918 HydrophobicContact CG1-CD1 4.07Å; I882-L918 HydrophobicContact CG1-CD2 4.21Å; I882-L918 HydrophobicContact CG1-CG 4.42Å; I882-L918 HydrophobicContact CG2-CD1 3.67Å |
| 883 | V | 86.4 | Confident | 74.3 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.7 | -49 | -173.1 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | L835 F838 Y879 V885 L886 R887 | L835-V883 HydrophobicContact CB-CG2 4.16Å; L835-V883 HydrophobicContact CD1-CG2 4.07Å; F838-V883 HydrophobicContact CB-CG1 4.34Å; Y879-V883 WeakPolarHBondContact O-CG2 3.47Å; V883-V885 VanDerWaalsContact C-N 3.32Å; V883-V885 PolarHBondContact O-N 3.03Å; V883-L886 PolarHBondContact O-N 3.18Å; V883-R887 WeakPolarHBondContact O-CG 3.36Å; V883-R887 PolarHBondContact O-N 3.13Å |
| 884 | P | 82.3 | Confident | 75.2 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 33% | 0.325 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.5 | -38.7 | 173.1 | -25.4 | 34.6 | 0 | 0 | 0 | 113.7 | T873 G880 R887 T888 | T873-P884 HydrophobicContact CG2-CG 3.98Å; G880-P884 WeakPolarHBondContact O-CD 3.49Å; P884-R887 PolarHBondContact O-N 2.76Å; P884-T888 WeakPolarHBondContact O-CB 3.5Å; P884-T888 PolarHBondContact O-N 2.94Å; P884-T888 PolarHBondContact O-OG1 3.41Å |
| 885 | V | 83.3 | Confident | 75 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.2 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | I882 V883 T888 L889 | I882-V885 HydrophobicContact CD1-CB 4.34Å; I882-V885 HydrophobicContact CD1-CG1 4.45Å; I882-V885 CarbonylContact O-C 3.5Å; I882-V885 WeakPolarHBondContact O-CA 3.19Å; I882-V885 WeakPolarHBondContact O-CB 3.4Å; I882-V885 PolarHBondContact O-N 3.03Å; V883-V885 VanDerWaalsContact C-N 3.32Å; V883-V885 PolarHBondContact O-N 3.03Å; V885-T888 PolarHBondContact O-N 3.25Å; V885-L889 HydrophobicContact CG1-CD1 4.23Å; V885-L889 WeakPolarHBondContact O-CG 3.36Å; V885-L889 PolarHBondContact O-N 2.96Å |
| 886 | L | 85.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.6 | -62.3 | 176.2 | 0 | 0 | 0 | 111.8 | L835 F838 I882 V883 T888 L889 I890 I911 K914 V915 | L835-L886 HydrophobicContact CD1-CD1 4.23Å; F838-L886 HydrophobicContact CD1-CD1 4.24Å; F838-L886 HydrophobicContact CE1-CB 4.04Å; F838-L886 HydrophobicContact CE1-CD1 3.78Å; F838-L886 HydrophobicContact CE2-CB 3.86Å; F838-L886 HydrophobicContact CZ-CB 3.5Å; F838-L886 HydrophobicContact CZ-CD1 4.15Å; F838-L886 HydrophobicContact CZ-CG 4.43Å; I882-L886 HydrophobicContact CG1-CD1 4.17Å; I882-L886 HydrophobicContact CG1-CD2 4.27Å; I882-L886 HydrophobicContact CG1-CG 4Å; I882-L886 HydrophobicContact CG2-CD1 4.16Å; I882-L886 WeakPolarHBondContact O-CG 3.36Å; I882-L886 PolarHBondContact O-N 3.25Å; V883-L886 PolarHBondContact O-N 3.18Å; L886-T888 VanDerWaalsContact C-N 3.29Å; L886-T888 PolarHBondContact O-N 2.93Å; L886-L889 HydrophobicContact CD2-CD1 4.29Å; L886-L889 PolarHBondContact O-N 3.15Å; L886-I890 WeakPolarHBondContact O-CG1 3.37Å; L886-I890 PolarHBondContact O-N 2.85Å; L886-I911 HydrophobicContact CD1-CG2 4.32Å; L886-I911 HydrophobicContact CD2-CG2 4.14Å; L886-K914 HydrophobicContact CD2-CB 3.98Å; L886-V915 HydrophobicContact CD1-CG2 3.62Å |
| 887 | R | 83 | Confident | 73.5 | Confident | 49 Ų | 49 | 50 Ų | 50 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 174.2 | -71.3 | 178.3 | -174.4 | -77.6 | 4.6 | 111.5 | F838 E841 V883 P884 I890 K891 | F838-R887 HydrophobicContact CD2-CG 3.84Å; F838-R887 HydrophobicContact CE2-CG 3.87Å; E841-R887 IonicContact OE1-NH1 3.98Å; E841-R887 IonicContact OE1-NH2 3.07Å; E841-R887 PolarHBondContact OE1-NH2 2.77Å; E841-R887 IonicContact OE2-CZ 3.34Å; E841-R887 IonicContact OE2-NH1 2.67Å; E841-R887 PolarHBondContact OE2-NH1 3.37Å; E841-R887 IonicContact OE2-NH2 3.09Å; E841-R887 PolarHBondContact OE2-NH2 3.06Å; E841-R887 VanDerWaalsContact OE2-NH2 3.09Å; V883-R887 WeakPolarHBondContact O-CG 3.36Å; V883-R887 PolarHBondContact O-N 3.13Å; P884-R887 PolarHBondContact O-N 2.76Å; R887-I890 WeakPolarHBondContact O-CB 3.34Å; R887-I890 PolarHBondContact O-N 3.48Å; R887-K891 WeakPolarHBondContact O-CG 3.3Å; R887-K891 PolarHBondContact O-N 3.26Å |
| 888 | T | 79.1 | Confident | 71.6 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 176.6 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | P884 V885 L886 I890 K891 E892 | P884-T888 WeakPolarHBondContact O-CB 3.5Å; P884-T888 PolarHBondContact O-N 2.94Å; P884-T888 PolarHBondContact O-OG1 3.41Å; V885-T888 PolarHBondContact O-N 3.25Å; L886-T888 VanDerWaalsContact C-N 3.29Å; L886-T888 PolarHBondContact O-N 2.93Å; T888-I890 VanDerWaalsContact C-N 3.31Å; T888-I890 PolarHBondContact O-N 3.45Å; T888-K891 CarbonylContact O-C 3.52Å; T888-K891 WeakPolarHBondContact O-CA 3.49Å; T888-K891 WeakPolarHBondContact O-CB 3.2Å; T888-K891 PolarHBondContact O-N 3.38Å; T888-E892 PolarHBondContact O-N 3.25Å |
| 889 | L | 76.6 | Confident | 69.8 | Low | 48 Ų | 48 | 62.2 Ų | 62.2 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 174.1 | -73.1 | 168.9 | 0 | 0 | 0 | 110.8 | V885 L886 K891 E892 Y893 | V885-L889 HydrophobicContact CG1-CD1 4.23Å; V885-L889 WeakPolarHBondContact O-CG 3.36Å; V885-L889 PolarHBondContact O-N 2.96Å; L886-L889 HydrophobicContact CD2-CD1 4.29Å; L886-L889 PolarHBondContact O-N 3.15Å; L889-K891 PolarHBondContact O-N 3.45Å; L889-E892 PolarHBondContact O-N 3.22Å; L889-Y893 HydrophobicContact CD2-CE2 3.86Å; L889-Y893 WeakPolarHBondContact O-CD2 3.42Å; L889-Y893 PolarHBondContact O-N 2.95Å |
| 890 | I | 74 | Confident | 67.6 | Low | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53.6 | -54.9 | 171.8 | -73.2 | 179.7 | 0 | 0 | 0 | 109.6 | F838 L842 L886 R887 T888 E892 Y893 F894 I911 | F838-I890 HydrophobicContact CE2-CD1 3.58Å; F838-I890 HydrophobicContact CZ-CD1 3.51Å; L842-I890 HydrophobicContact CD1-CD1 3.79Å; L886-I890 WeakPolarHBondContact O-CG1 3.37Å; L886-I890 PolarHBondContact O-N 2.85Å; R887-I890 WeakPolarHBondContact O-CB 3.34Å; R887-I890 PolarHBondContact O-N 3.48Å; T888-I890 VanDerWaalsContact C-N 3.31Å; T888-I890 PolarHBondContact O-N 3.45Å; I890-E892 VanDerWaalsContact C-N 3.32Å; I890-E892 PolarHBondContact O-N 3.49Å; I890-Y893 PolarHBondContact O-N 3.18Å; I890-F894 VanDerWaalsContact C-CD2 3.47Å; I890-F894 HydrophobicContact CB-CD2 4.02Å; I890-F894 HydrophobicContact CB-CE2 3.83Å; I890-F894 HydrophobicContact CG1-CE2 3.96Å; I890-F894 HydrophobicContact CG2-CD2 3.41Å; I890-F894 VanDerWaalsContact CG2-CD2 3.41Å; I890-F894 HydrophobicContact CG2-CE2 3.49Å; I890-F894 VanDerWaalsContact CG2-CE2 3.49Å; I890-F894 WeakPolarHBondContact O-CB 3.46Å; I890-F894 WeakPolarHBondContact O-CD2 3.39Å; I890-F894 WeakPolarHBondContact O-CG 3.46Å; I890-F894 PolarHBondContact O-N 3.44Å; I890-F894 VanDerWaalsContact O-N 3.11Å; I890-I911 HydrophobicContact CD1-CD1 4.37Å; I890-I911 HydrophobicContact CG1-CD1 4.16Å |
| 891 | K | 70 | Confident | 65.6 | Low | 109 Ų | 109 | 71.2 Ų | 71.2 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.4 | -35 | -178.9 | -73.7 | 179.9 | 179.4 | -171.5 | 0 | 114.8 | R887 T888 L889 P895 | R887-K891 WeakPolarHBondContact O-CG 3.3Å; R887-K891 PolarHBondContact O-N 3.26Å; T888-K891 CarbonylContact O-C 3.52Å; T888-K891 WeakPolarHBondContact O-CA 3.49Å; T888-K891 WeakPolarHBondContact O-CB 3.2Å; T888-K891 PolarHBondContact O-N 3.38Å; L889-K891 PolarHBondContact O-N 3.45Å; K891-P895 WeakPolarHBondContact O-CD 3.48Å |
| 892 | E | 66.7 | Low | 64.1 | Low | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -74.4 | -36.7 | -177.9 | -171.2 | -179.6 | 177.5 | 0 | 0 | 112.2 | T888 L889 I890 P895 | T888-E892 PolarHBondContact O-N 3.25Å; L889-E892 PolarHBondContact O-N 3.22Å; I890-E892 VanDerWaalsContact C-N 3.32Å; I890-E892 PolarHBondContact O-N 3.49Å; E892-P895 VanDerWaalsContact C-CD 3.49Å; E892-P895 WeakPolarHBondContact O-CD 3.34Å; E892-P895 WeakPolarHBondContact O-CG 3.28Å |
| 893 | Y | 61.9 | Low | 62.8 | Low | 55 Ų | 55 | 69.8 Ų | 69.8 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -91.2 | -16.3 | -176.5 | -69.3 | -74.9 | 0 | 0 | 0 | 114.3 | L889 I890 W907 | L889-Y893 HydrophobicContact CD2-CE2 3.86Å; L889-Y893 WeakPolarHBondContact O-CD2 3.42Å; L889-Y893 PolarHBondContact O-N 2.95Å; I890-Y893 PolarHBondContact O-N 3.18Å; Y893-W907 AromaticContact CD1-CH2 3.6Å; Y893-W907 HydrophobicContact CD1-CH2 3.6Å; Y893-W907 AromaticContact CD1-CZ2 3.38Å; Y893-W907 HydrophobicContact CD1-CZ2 3.38Å; Y893-W907 HydrophobicContact CD1-CZ3 4.43Å; Y893-W907 HydrophobicContact CD2-CH2 4.22Å; Y893-W907 HydrophobicContact CD2-CZ2 4.42Å; Y893-W907 HydrophobicContact CD2-CZ3 4.29Å; Y893-W907 AromaticContact CE1-CH2 3.39Å; Y893-W907 HydrophobicContact CE1-CH2 3.39Å; Y893-W907 AromaticContact CE1-CZ2 3.67Å; Y893-W907 HydrophobicContact CE1-CZ2 3.67Å; Y893-W907 HydrophobicContact CE1-CZ3 4.23Å; Y893-W907 HydrophobicContact CE2-CH2 4.12Å; Y893-W907 HydrophobicContact CE2-CZ3 4.16Å; Y893-W907 HydrophobicContact CG-CH2 4.03Å; Y893-W907 AromaticContact CG-CZ2 3.82Å; Y893-W907 HydrophobicContact CG-CZ2 3.82Å; Y893-W907 HydrophobicContact CG-CZ3 4.47Å; Y893-W907 AromaticContact CZ-CH2 3.7Å |
| 894 | F | 62.1 | Low | 61.6 | Low | 26 Ų | 26 | 70.7 Ų | 70.7 | 11% | 0.114 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -91.5 | -12.4 | 177.6 | -67.7 | -57.8 | 0 | 0 | 0 | 119.4 | I890 N896 V904 | I890-F894 VanDerWaalsContact C-CD2 3.47Å; I890-F894 HydrophobicContact CB-CD2 4.02Å; I890-F894 HydrophobicContact CB-CE2 3.83Å; I890-F894 HydrophobicContact CG1-CE2 3.96Å; I890-F894 HydrophobicContact CG2-CD2 3.41Å; I890-F894 VanDerWaalsContact CG2-CD2 3.41Å; I890-F894 HydrophobicContact CG2-CE2 3.49Å; I890-F894 VanDerWaalsContact CG2-CE2 3.49Å; I890-F894 WeakPolarHBondContact O-CB 3.46Å; I890-F894 WeakPolarHBondContact O-CD2 3.39Å; I890-F894 WeakPolarHBondContact O-CG 3.46Å; I890-F894 PolarHBondContact O-N 3.44Å; I890-F894 VanDerWaalsContact O-N 3.11Å; F894-N896 PolarHBondContact O-N 3.49Å; F894-N896 VanDerWaalsContact O-N 3.1Å; F894-V904 HydrophobicContact CD1-CG2 4.28Å; F894-V904 HydrophobicContact CE1-CB 4.07Å; F894-V904 HydrophobicContact CE1-CG2 3.35Å; F894-V904 HydrophobicContact CE2-CG2 4.32Å; F894-V904 HydrophobicContact CZ-CB 3.89Å; F894-V904 HydrophobicContact CZ-CG1 4.04Å; F894-V904 HydrophobicContact CZ-CG2 3.43Å; F894-V904 VanDerWaalsContact CZ-CG2 3.43Å |
| 895 | P | 50 | Low | 60.8 | Low | 87 Ų | 87 | 72 Ų | 72 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.3 | -167.4 | 25.6 | -24.7 | 0 | 0 | 0 | 113.7 | K891 E892 | K891-P895 WeakPolarHBondContact O-CD 3.48Å; E892-P895 VanDerWaalsContact C-CD 3.49Å; E892-P895 WeakPolarHBondContact O-CD 3.34Å; E892-P895 WeakPolarHBondContact O-CG 3.28Å |
| 896 | N | 43 | Very low | 60.1 | Low | 117 Ų | 117 | 70 Ų | 70 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 43.2 | -172.4 | -68.8 | -15.6 | 0 | 0 | 0 | 113.8 | F894 T898 T901 | F894-N896 PolarHBondContact O-N 3.49Å; F894-N896 VanDerWaalsContact O-N 3.1Å; N896-T898 PolarHBondContact O-N 3.49Å; N896-T901 HydrophobicContact CB-CG2 4.45Å; N896-T901 WeakPolarHBondContact O-CG2 3.35Å |
| 897 | T | 43.8 | Very low | 59.6 | Low | 61 Ų | 61 | 71 Ų | 71 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | trans | -71.4 | 57.1 | 173.9 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | F855 T901 | F855-T897 HydrophobicContact CE1-CG2 4.26Å; F855-T897 HydrophobicContact CZ-CG2 3.93Å; F855-T897 WeakPolarHBondContact CZ-OG1 3.46Å; T897-T901 WeakPolarHBondContact CG2-OG1 3.46Å | ||
| 898 | T | 41.5 | Very low | 59.6 | Low | 120 Ų | 120 | 68.7 Ų | 68.7 | 74% | 0.736 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -100.2 | 93.7 | 160.3 | 52.9 | 0 | 0 | 0 | 0 | 107.4 | N896 N900 | N896-T898 PolarHBondContact O-N 3.49Å; T898-N900 PolarHBondContact O-N 3.26Å |
| 899 | N | 43.7 | Very low | 60 | Low | 164 Ų | 164 | 64.9 Ų | 64.9 | 88% | 0.877 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 60.9 | -15.6 | 165.9 | -65.8 | -13.8 | 0 | 0 | 0 | 121.8 | ||
| 900 | N | 39.5 | Very low | 60.4 | Low | 147 Ų | 147 | 63 Ų | 63 | 79% | 0.786 | 34% | 0.335 | S | S | * | . | trans | -135.3 | 12.8 | -177.1 | -90.8 | -9.9 | 0 | 0 | 0 | 117.2 | T898 | T898-N900 PolarHBondContact O-N 3.26Š| ||
| 901 | T | 40 | Very low | 61.1 | Low | 49 Ų | 49 | 63 Ų | 63 | 30% | 0.301 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 140.1 | 177.7 | 45.8 | 0 | 0 | 0 | 0 | 113.1 | N896 T897 S903 | N896-T901 HydrophobicContact CB-CG2 4.45Å; N896-T901 WeakPolarHBondContact O-CG2 3.35Å; T897-T901 WeakPolarHBondContact CG2-OG1 3.46Å; T901-S903 PolarHBondContact O-N 2.97Å |
| 902 | P | 49 | Very low | 62.1 | Low | 34 Ų | 34 | 57.8 Ų | 57.8 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 129 | 170 | -24.6 | 32.7 | 0 | 0 | 0 | 111.1 | E906 | P902-E906 HydrophobicContact CB-CB 3.8Å; P902-E906 HydrophobicContact CB-CG 4.39Å; P902-E906 VanDerWaalsContact CB-OE2 3.3Å; P902-E906 WeakPolarHBondContact CB-OE2 3.32Å |
| 903 | S | 58.1 | Low | 63.3 | Low | 53 Ų | 53 | 51.9 Ų | 51.9 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 154 | 174.1 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | T901 R905 E906 | T901-S903 PolarHBondContact O-N 2.97Å; S903-R905 PolarHBondContact O-N 3.26Å; S903-E906 VanDerWaalsContact O-CB 3.31Å; S903-E906 WeakPolarHBondContact O-CB 3.12Å; S903-E906 PolarHBondContact O-N 3.12Å |
| 904 | V | 61.7 | Low | 64.6 | Low | 25 Ų | 25 | 51.6 Ų | 51.6 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -45 | -33 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 112.4 | L842 L845 I846 F894 E906 W907 L908 | L842-V904 HydrophobicContact CD1-CG1 3.57Å; L842-V904 HydrophobicContact CG-CG1 4.44Å; L845-V904 HydrophobicContact CD2-CG2 4.4Å; I846-V904 HydrophobicContact CD1-CB 4.48Å; I846-V904 HydrophobicContact CD1-CG1 3.75Å; I846-V904 HydrophobicContact CG1-CB 3.94Å; I846-V904 HydrophobicContact CG1-CG1 3.56Å; F894-V904 HydrophobicContact CD1-CG2 4.28Å; F894-V904 HydrophobicContact CE1-CB 4.07Å; F894-V904 HydrophobicContact CE1-CG2 3.35Å; F894-V904 HydrophobicContact CE2-CG2 4.32Å; F894-V904 HydrophobicContact CZ-CB 3.89Å; F894-V904 HydrophobicContact CZ-CG1 4.04Å; F894-V904 HydrophobicContact CZ-CG2 3.43Å; F894-V904 VanDerWaalsContact CZ-CG2 3.43Å; V904-E906 VanDerWaalsContact C-N 3.27Å; V904-E906 PolarHBondContact O-N 3.37Å; V904-W907 PolarHBondContact O-N 3.47Å; V904-L908 PolarHBondContact O-N 2.92Å |
| 905 | R | 65.6 | Low | 66 | Low | 78 Ų | 78 | 50.5 Ų | 50.5 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 178.8 | -56 | 176.5 | -175.8 | 176.4 | 2.7 | 113.1 | L747 I846 S903 | L747-R905 HydrophobicContact CD2-CB 4.08Å; I846-R905 HydrophobicContact CG2-CG 4.1Å; S903-R905 PolarHBondContact O-N 3.26Å |
| 906 | E | 67.3 | Low | 67.9 | Low | 32 Ų | 32 | 47 Ų | 47 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.8 | -32.1 | -179.8 | -76.3 | -176.7 | -146.6 | 0 | 0 | 112.9 | L683 L747 P902 S903 V904 | L683-E906 HydrophobicContact CD1-CB 3.52Å; L683-E906 HydrophobicContact CD1-CG 3.89Å; L747-E906 HydrophobicContact CD1-CG 4.1Å; L747-E906 HydrophobicContact CD2-CG 3.46Å; L747-E906 VanDerWaalsContact CD2-CG 3.46Å; L747-E906 HydrophobicContact CG-CG 4.43Å; P902-E906 HydrophobicContact CB-CB 3.8Å; P902-E906 HydrophobicContact CB-CG 4.39Å; P902-E906 VanDerWaalsContact CB-OE2 3.3Å; P902-E906 WeakPolarHBondContact CB-OE2 3.32Å; S903-E906 VanDerWaalsContact O-CB 3.31Å; S903-E906 WeakPolarHBondContact O-CB 3.12Å; S903-E906 PolarHBondContact O-N 3.12Å; V904-E906 VanDerWaalsContact C-N 3.27Å; V904-E906 PolarHBondContact O-N 3.37Å |
| 907 | W | 75.4 | Confident | 69.9 | Low | 21 Ų | 21 | 44.2 Ų | 44.2 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -86.6 | -15.2 | 179.9 | -75.1 | 98.4 | 0 | 0 | 0 | 113.9 | I667 Y893 V904 I910 I911 | I667-W907 HydrophobicContact CG1-CZ3 4.37Å; Y893-W907 AromaticContact CD1-CH2 3.6Å; Y893-W907 HydrophobicContact CD1-CH2 3.6Å; Y893-W907 AromaticContact CD1-CZ2 3.38Å; Y893-W907 HydrophobicContact CD1-CZ2 3.38Å; Y893-W907 HydrophobicContact CD1-CZ3 4.43Å; Y893-W907 HydrophobicContact CD2-CH2 4.22Å; Y893-W907 HydrophobicContact CD2-CZ2 4.42Å; Y893-W907 HydrophobicContact CD2-CZ3 4.29Å; Y893-W907 AromaticContact CE1-CH2 3.39Å; Y893-W907 HydrophobicContact CE1-CH2 3.39Å; Y893-W907 AromaticContact CE1-CZ2 3.67Å; Y893-W907 HydrophobicContact CE1-CZ2 3.67Å; Y893-W907 HydrophobicContact CE1-CZ3 4.23Å; Y893-W907 HydrophobicContact CE2-CH2 4.12Å; Y893-W907 HydrophobicContact CE2-CZ3 4.16Å; Y893-W907 HydrophobicContact CG-CH2 4.03Å; Y893-W907 AromaticContact CG-CZ2 3.82Å; Y893-W907 HydrophobicContact CG-CZ2 3.82Å; Y893-W907 HydrophobicContact CG-CZ3 4.47Å; Y893-W907 AromaticContact CZ-CH2 3.7Å; V904-W907 PolarHBondContact O-N 3.47Å; W907-I910 HydrophobicContact CD2-CD1 4.25Å; W907-I910 HydrophobicContact CE3-CB 4.24Å; W907-I910 HydrophobicContact CE3-CD1 3.41Å; W907-I910 VanDerWaalsContact CE3-CD1 3.41Å; W907-I910 HydrophobicContact CE3-CG1 4.41Å; W907-I910 HydrophobicContact CE3-CG2 4.31Å; W907-I910 HydrophobicContact CH2-CD1 4.44Å; W907-I910 HydrophobicContact CZ3-CD1 3.52Å; W907-I910 HydrophobicContact CZ3-CG2 4.43Å; W907-I910 WeakPolarHBondContact O-CA 3.25Å; W907-I910 WeakPolarHBondContact O-CB 3.42Å; W907-I910 PolarHBondContact O-N 3.39Å; W907-I911 PolarHBondContact O-N 3.27Å |
| 908 | L | 83.3 | Confident | 71.7 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.9 | -42.2 | -174.6 | -165.4 | 63.1 | 0 | 0 | 0 | 114 | L739 A743 F839 L842 V904 I910 I911 I912 | L739-L908 HydrophobicContact CD1-CD2 3.55Å; L739-L908 HydrophobicContact CD2-CD1 4.06Å; L739-L908 HydrophobicContact CD2-CD2 4.14Å; L739-L908 HydrophobicContact CD2-CG 4.39Å; L739-L908 HydrophobicContact CG-CD1 4.32Å; L739-L908 HydrophobicContact CG-CD2 3.51Å; L739-L908 HydrophobicContact CG-CG 4.12Å; A743-L908 HydrophobicContact CB-CB 4.17Å; A743-L908 HydrophobicContact CB-CD2 3.56Å; A743-L908 HydrophobicContact CB-CG 4.36Å; F839-L908 HydrophobicContact CE1-CD1 4.44Å; L842-L908 HydrophobicContact CD2-CD1 3.51Å; L842-L908 HydrophobicContact CG-CD1 4.47Å; V904-L908 PolarHBondContact O-N 2.92Å; L908-I910 VanDerWaalsContact C-N 3.26Å; L908-I910 PolarHBondContact O-N 3.23Å; L908-I911 PolarHBondContact O-N 2.99Å; L908-I912 HydrophobicContact CD1-CD1 4.5Å; L908-I912 HydrophobicContact CG-CD1 4.01Å; L908-I912 VanDerWaalsContact O-CG1 3.27Å; L908-I912 WeakPolarHBondContact O-CG1 3.34Å; L908-I912 PolarHBondContact O-N 2.97Å |
| 909 | P | 87 | Confident | 73.2 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -32.3 | 174.1 | -25.2 | 36.7 | 0 | 0 | 0 | 113.8 | W688 V689 F913 | W688-P909 HydrophobicContact CH2-CB 3.8Å; W688-P909 HydrophobicContact CZ3-CB 4.39Å; V689-P909 HydrophobicContact CG1-CB 4.15Å; V689-P909 HydrophobicContact CG1-CG 4.25Å; V689-P909 HydrophobicContact CG2-CB 4.18Å; P909-F913 VanDerWaalsContact O-CB 3.27Å; P909-F913 WeakPolarHBondContact O-CB 3.41Å; P909-F913 PolarHBondContact O-N 3.32Å |
| 910 | I | 85.6 | Confident | 74.8 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.8 | -42.6 | 179.6 | -61.4 | 165.4 | 0 | 0 | 0 | 110.2 | T666 I667 W688 W907 L908 I912 F913 K914 | T666-I910 HydrophobicContact CG2-CD1 4.19Å; I667-I910 HydrophobicContact CD1-CG2 4.08Å; I667-I910 HydrophobicContact CG1-CD1 4.12Å; I667-I910 HydrophobicContact CG1-CG2 4.26Å; W688-I910 HydrophobicContact CH2-CG1 4.3Å; W688-I910 HydrophobicContact CZ2-CG1 4.42Å; W907-I910 HydrophobicContact CD2-CD1 4.25Å; W907-I910 HydrophobicContact CE3-CB 4.24Å; W907-I910 HydrophobicContact CE3-CD1 3.41Å; W907-I910 VanDerWaalsContact CE3-CD1 3.41Å; W907-I910 HydrophobicContact CE3-CG1 4.41Å; W907-I910 HydrophobicContact CE3-CG2 4.31Å; W907-I910 HydrophobicContact CH2-CD1 4.44Å; W907-I910 HydrophobicContact CZ3-CD1 3.52Å; W907-I910 HydrophobicContact CZ3-CG2 4.43Å; W907-I910 WeakPolarHBondContact O-CA 3.25Å; W907-I910 WeakPolarHBondContact O-CB 3.42Å; W907-I910 PolarHBondContact O-N 3.39Å; L908-I910 VanDerWaalsContact C-N 3.26Å; L908-I910 PolarHBondContact O-N 3.23Å; I910-I912 VanDerWaalsContact C-N 3.33Å; I910-I912 PolarHBondContact O-N 3.44Å; I910-F913 WeakPolarHBondContact O-CB 3.09Å; I910-F913 PolarHBondContact O-N 3.13Å; I910-K914 WeakPolarHBondContact O-CG 3.41Å; I910-K914 PolarHBondContact O-N 2.96Å |
| 911 | I | 88.4 | Confident | 76.7 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 173.7 | -67.5 | 172.3 | 0 | 0 | 0 | 109.8 | F838 F839 L842 L886 I890 W907 L908 F913 K914 V915 | F838-I911 HydrophobicContact CE1-CG2 3.96Å; F838-I911 HydrophobicContact CZ-CG2 4.32Å; F839-I911 HydrophobicContact CE1-CG2 4.05Å; F839-I911 HydrophobicContact CZ-CG2 4.05Å; L842-I911 HydrophobicContact CD2-CD1 4.07Å; L886-I911 HydrophobicContact CD1-CG2 4.32Å; L886-I911 HydrophobicContact CD2-CG2 4.14Å; I890-I911 HydrophobicContact CD1-CD1 4.37Å; I890-I911 HydrophobicContact CG1-CD1 4.16Å; W907-I911 PolarHBondContact O-N 3.27Å; L908-I911 PolarHBondContact O-N 2.99Å; I911-F913 PolarHBondContact O-N 3.48Å; I911-K914 PolarHBondContact O-N 3.12Å; I911-V915 WeakPolarHBondContact O-CG2 3.15Å; I911-V915 PolarHBondContact O-N 3.15Å; I911-V915 VanDerWaalsContact O-N 3.15Å |
| 912 | I | 91.5 | Very high | 79 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 178.1 | -67 | 169.3 | 0 | 0 | 0 | 110.5 | L692 L696 L736 L739 C740 F839 L908 I910 K914 V915 V916 | L692-I912 HydrophobicContact CD2-CG2 4.36Å; L696-I912 HydrophobicContact CD1-CG2 3.95Å; L736-I912 HydrophobicContact CB-CG2 4.07Å; L736-I912 HydrophobicContact CD2-CG1 4.02Å; L736-I912 HydrophobicContact CD2-CG2 4.16Å; L739-I912 HydrophobicContact CB-CD1 4.16Å; L739-I912 HydrophobicContact CD2-CD1 4.23Å; L739-I912 HydrophobicContact CG-CD1 4.07Å; C740-I912 HydrophobicContact CB-CD1 3.63Å; F839-I912 HydrophobicContact CE1-CG1 4.08Å; F839-I912 HydrophobicContact CZ-CG1 4.22Å; L908-I912 HydrophobicContact CD1-CD1 4.5Å; L908-I912 HydrophobicContact CG-CD1 4.01Å; L908-I912 VanDerWaalsContact O-CG1 3.27Å; L908-I912 WeakPolarHBondContact O-CG1 3.34Å; L908-I912 PolarHBondContact O-N 2.97Å; I910-I912 VanDerWaalsContact C-N 3.33Å; I910-I912 PolarHBondContact O-N 3.44Å; I912-K914 VanDerWaalsContact C-N 3.31Å; I912-K914 PolarHBondContact O-N 3.27Å; I912-V915 PolarHBondContact O-N 3.26Å; I912-V915 VanDerWaalsContact O-N 3.15Å; I912-V916 HydrophobicContact CG2-CG2 4.35Å; I912-V916 VanDerWaalsContact O-CG2 3.31Å; I912-V916 WeakPolarHBondContact O-CG2 3.39Å; I912-V916 PolarHBondContact O-N 2.74Å |
| 913 | F | 91.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.9 | -45.3 | 175.1 | 173 | -93.7 | 0 | 0 | 0 | 112.2 | T656 L659 E660 V663 W688 L692 P909 I910 I911 V915 V916 Q917 | T656-F913 HydrophobicContact CG2-CD2 4.38Å; T656-F913 HydrophobicContact CG2-CE2 4.17Å; T656-F913 VanDerWaalsContact O-CE2 3.31Å; T656-F913 WeakPolarHBondContact O-CE2 3.21Å; T656-F913 WeakPolarHBondContact O-CZ 3.35Å; L659-F913 HydrophobicContact CB-CE2 3.97Å; E660-F913 HydrophobicContact CB-CZ 4.24Å; V663-F913 HydrophobicContact CB-CD1 4.39Å; V663-F913 HydrophobicContact CB-CE1 4.23Å; V663-F913 HydrophobicContact CB-CZ 4.36Å; V663-F913 HydrophobicContact CG1-CD1 3.84Å; V663-F913 HydrophobicContact CG1-CE1 4.01Å; V663-F913 HydrophobicContact CG1-CG 4.32Å; V663-F913 HydrophobicContact CG2-CD1 4.22Å; V663-F913 HydrophobicContact CG2-CD2 3.87Å; V663-F913 HydrophobicContact CG2-CE1 4.29Å; V663-F913 HydrophobicContact CG2-CE2 3.93Å; V663-F913 HydrophobicContact CG2-CG 4.01Å; V663-F913 HydrophobicContact CG2-CZ 4.15Å; W688-F913 HydrophobicContact CZ3-CB 4.41Å; L692-F913 HydrophobicContact CD2-CB 4.16Å; P909-F913 VanDerWaalsContact O-CB 3.27Å; P909-F913 WeakPolarHBondContact O-CB 3.41Å; P909-F913 PolarHBondContact O-N 3.32Å; I910-F913 WeakPolarHBondContact O-CB 3.09Å; I910-F913 PolarHBondContact O-N 3.13Å; I911-F913 PolarHBondContact O-N 3.48Å; F913-V915 VanDerWaalsContact C-N 3.32Å; F913-V915 PolarHBondContact O-N 3.31Å; F913-V916 PolarHBondContact O-N 3.42Å; F913-Q917 PolarHBondContact O-N 2.93Å |
| 914 | K | 89 | Confident | 82.2 | Confident | 49 Ų | 49 | 22.6 Ų | 22.6 | 21% | 0.213 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 177.9 | -73.7 | -66.9 | -178.8 | -172.5 | 0 | 113.2 | L886 I910 I911 I912 | L886-K914 HydrophobicContact CD2-CB 3.98Å; I910-K914 WeakPolarHBondContact O-CG 3.41Å; I910-K914 PolarHBondContact O-N 2.96Å; I911-K914 PolarHBondContact O-N 3.12Å; I912-K914 VanDerWaalsContact C-N 3.31Å; I912-K914 PolarHBondContact O-N 3.27Å |
| 915 | V | 91.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.3 | -40.9 | 174.5 | 174 | 0 | 0 | 0 | 0 | 111.6 | L736 L835 F839 Y879 L886 I911 I912 F913 Q917 L918 | L736-V915 HydrophobicContact CD1-CG1 4.1Å; L835-V915 HydrophobicContact CD1-CG1 4.41Å; L835-V915 HydrophobicContact CD1-CG2 3.96Å; L835-V915 HydrophobicContact CD2-CG1 3.77Å; F839-V915 HydrophobicContact CE2-CG2 4.07Å; F839-V915 HydrophobicContact CZ-CG2 4.06Å; Y879-V915 HydrophobicContact CE1-CG1 4.2Å; L886-V915 HydrophobicContact CD1-CG2 3.62Å; I911-V915 WeakPolarHBondContact O-CG2 3.15Å; I911-V915 PolarHBondContact O-N 3.15Å; I911-V915 VanDerWaalsContact O-N 3.15Å; I912-V915 PolarHBondContact O-N 3.26Å; I912-V915 VanDerWaalsContact O-N 3.15Å; F913-V915 VanDerWaalsContact C-N 3.32Å; F913-V915 PolarHBondContact O-N 3.31Å; V915-Q917 VanDerWaalsContact C-N 3.31Å; V915-L918 WeakPolarHBondContact O-CB 3.22Å; V915-L918 WeakPolarHBondContact O-CD1 3.35Å; V915-L918 WeakPolarHBondContact O-CG 3.33Å; V915-L918 PolarHBondContact O-N 3.18Å |
| 916 | V | 90 | Very high | 84.8 | Confident | 13 Ų | 13 | 18.2 Ų | 18.2 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -73.2 | -25.9 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | L652 T656 L696 L736 I912 F913 L918 | L652-V916 HydrophobicContact CB-CG1 4.43Å; L652-V916 HydrophobicContact CD2-CG1 4.25Å; T656-V916 HydrophobicContact CG2-CB 3.88Å; T656-V916 HydrophobicContact CG2-CG1 3.55Å; L696-V916 HydrophobicContact CD1-CG2 4.36Å; L696-V916 HydrophobicContact CD2-CG1 4.28Å; L696-V916 HydrophobicContact CD2-CG2 3.62Å; L696-V916 HydrophobicContact CG-CG2 4.37Å; L736-V916 HydrophobicContact CD1-CG2 4.5Å; I912-V916 HydrophobicContact CG2-CG2 4.35Å; I912-V916 VanDerWaalsContact O-CG2 3.31Å; I912-V916 WeakPolarHBondContact O-CG2 3.39Å; I912-V916 PolarHBondContact O-N 2.74Å; F913-V916 PolarHBondContact O-N 3.42Å; V916-L918 PolarHBondContact O-N 3.25Å |
| 917 | Q | 86.2 | Confident | 85.7 | Confident | 60 Ų | 60 | 18.2 Ų | 18.2 | 28% | 0.28 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.3 | 177.2 | -167.7 | 173 | 13 | 0 | 0 | 112.5 | T656 E660 F913 V915 A919 | T656-Q917 HydrophobicContact CG2-CB 4.47Å; E660-Q917 PolarHBondContact OE1-NE2 3.42Å; E660-Q917 VanDerWaalsContact OE1-NE2 3.16Å; F913-Q917 PolarHBondContact O-N 2.93Å; V915-Q917 VanDerWaalsContact C-N 3.31Å; Q917-A919 PolarHBondContact O-N 2.93Å |
| 918 | L | 81.7 | Confident | 86.1 | Confident | 32 Ų | 32 | 19.8 Ų | 19.8 | 17% | 0.168 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -67.8 | 121.4 | 177.6 | -60.8 | 172.2 | 0 | 0 | 0 | 111.2 | P878 Y879 I882 V915 V916 T920 | P878-L918 HydrophobicContact CB-CB 4.4Å; P878-L918 HydrophobicContact CB-CD2 4.27Å; Y879-L918 HydrophobicContact CD1-CD1 3.56Å; Y879-L918 HydrophobicContact CE1-CD1 3.74Å; I882-L918 HydrophobicContact CB-CD1 3.79Å; I882-L918 HydrophobicContact CB-CD2 4.15Å; I882-L918 HydrophobicContact CB-CG 4.48Å; I882-L918 HydrophobicContact CD1-CD2 4.18Å; I882-L918 HydrophobicContact CG1-CD1 4.07Å; I882-L918 HydrophobicContact CG1-CD2 4.21Å; I882-L918 HydrophobicContact CG1-CG 4.42Å; I882-L918 HydrophobicContact CG2-CD1 3.67Å; V915-L918 WeakPolarHBondContact O-CB 3.22Å; V915-L918 WeakPolarHBondContact O-CD1 3.35Å; V915-L918 WeakPolarHBondContact O-CG 3.33Å; V915-L918 PolarHBondContact O-N 3.18Å; V916-L918 PolarHBondContact O-N 3.25Å; L918-T920 VanDerWaalsContact C-N 3.34Å; L918-T920 HydrophobicContact CB-CG2 4.19Å; L918-T920 PolarHBondContact O-N 3.14Å |
| 919 | A | 71.4 | Confident | 86.2 | Confident | 20 Ų | 20 | 22.9 Ų | 22.9 | 17% | 0.165 | 11% | 0.106 | C | C | . | . | trans | -75.6 | 86.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | I653 Q917 H921 | I653-A919 HydrophobicContact CD1-CB 3.75Å; Q917-A919 PolarHBondContact O-N 2.93Å; A919-H921 PolarHBondContact O-N 3.46Å | ||
| 920 | T | 77.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -74.4 | 125.5 | -172.5 | 58 | 0 | 0 | 0 | 0 | 111.5 | H616 R729 Y879 L918 | H616-T920 PolarHBondContact CE1-O 2.98Å; H616-T920 PolarHBondContact NE2-O 3.46Å; H616-T920 VanDerWaalsContact NE2-O 3.1Å; R729-T920 PolarHBondContact NH2-OG1 3.16Å; Y879-T920 HydrophobicContact CD2-CG2 4.26Å; Y879-T920 HydrophobicContact CE1-CG2 3.96Å; Y879-T920 HydrophobicContact CE2-CG2 3.41Å; Y879-T920 VanDerWaalsContact CE2-CG2 3.41Å; Y879-T920 VanDerWaalsContact OH-CG2 3.23Å; Y879-T920 WeakPolarHBondContact OH-CG2 3.47Å; L918-T920 VanDerWaalsContact C-N 3.34Å; L918-T920 HydrophobicContact CB-CG2 4.19Å; L918-T920 PolarHBondContact O-N 3.14Å |
| 921 | H | 80.7 | Confident | 86.3 | Confident | 32 Ų | 32 | 23 Ų | 23 | 15% | 0.148 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 159.6 | 173.6 | 56.6 | 60.7 | 0 | 0 | 0 | 112.5 | N611 R612 H828 D877 P878 A919 | N611-H921 WeakPolarHBondContact O-CA 3.48Å; R612-H921 WeakPolarHBondContact O-CB 3.49Å; H828-H921 AromaticContact CE1-ND1 4Å; H828-H921 AromaticContact CG-CE1 3.94Å; H828-H921 AromaticContact ND1-CE1 3.34Å; H828-H921 PolarHBondContact ND1-CE1 3.29Å; H828-H921 VanDerWaalsContact ND1-CE1 3.34Å; H828-H921 AromaticContact ND1-ND1 3.74Å; D877-H921 IonicContact OD2-CE1 3.43Å; D877-H921 PolarHBondContact OD2-CE1 3.27Å; D877-H921 IonicContact OD2-NE2 3.58Å; D877-H921 PolarHBondContact OD2-NE2 3.24Å; P878-H921 VanDerWaalsContact CD-NE2 3.28Å; P878-H921 WeakPolarHBondContact CD-NE2 3.34Å; A919-H921 PolarHBondContact O-N 3.46Å |
| 922 | W | 86.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.011 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -91.9 | 139.9 | 173.6 | -64 | 16.5 | 0 | 0 | 0 | 110.9 | N611 H616 L642 F645 F926 F927 | N611-W922 HydrophobicContact CB-CD2 4.3Å; N611-W922 HydrophobicContact CB-CG 4.38Å; N611-W922 VanDerWaalsContact ND2-CH2 3.32Å; N611-W922 WeakPolarHBondContact ND2-CH2 3.28Å; N611-W922 WeakPolarHBondContact ND2-CZ2 3.21Å; N611-W922 PolarHBondContact O-N 3.29Å; H616-W922 AromaticContact CE1-NE1 3.8Å; L642-W922 HydrophobicContact CD2-CH2 4.18Å; L642-W922 HydrophobicContact CD2-CZ3 3.62Å; F645-W922 HydrophobicContact CB-CH2 3.95Å; F645-W922 HydrophobicContact CB-CZ2 4.05Å; F645-W922 HydrophobicContact CD1-CD2 4.19Å; F645-W922 AromaticContact CD1-CE2 3.51Å; F645-W922 HydrophobicContact CD1-CE3 4.27Å; F645-W922 AromaticContact CD1-CH2 3.24Å; F645-W922 HydrophobicContact CD1-CH2 3.24Å; F645-W922 AromaticContact CD1-CZ2 3.02Å; F645-W922 HydrophobicContact CD1-CZ2 3.02Å; F645-W922 AromaticContact CD1-CZ3 3.82Å; F645-W922 HydrophobicContact CD1-CZ3 3.82Å; F645-W922 HydrophobicContact CE1-CD2 4.03Å; F645-W922 AromaticContact CE1-CE2 3.48Å; F645-W922 VanDerWaalsContact CE1-CE2 3.48Å; F645-W922 HydrophobicContact CE1-CE3 4.41Å; F645-W922 HydrophobicContact CE1-CH2 4.05Å; F645-W922 AromaticContact CE1-CZ2 3.54Å; F645-W922 HydrophobicContact CE1-CZ2 3.54Å; F645-W922 HydrophobicContact CE1-CZ3 4.4Å; F645-W922 AromaticContact CE1-NE1 3.75Å; F645-W922 HydrophobicContact CG-CH2 4.02Å; F645-W922 AromaticContact CG-CZ2 3.81Å; F645-W922 HydrophobicContact CG-CZ2 3.81Å; W922-F926 AromaticContact CE3-CD1 3.67Å; W922-F926 HydrophobicContact CE3-CD1 3.67Å; W922-F926 AromaticContact CE3-CE1 3.53Å; W922-F926 HydrophobicContact CE3-CE1 3.53Å; W922-F926 HydrophobicContact CE3-CE2 4.45Å; W922-F926 HydrophobicContact CE3-CG 4.21Å; W922-F926 AromaticContact CE3-CZ 3.95Å; W922-F926 HydrophobicContact CE3-CZ 3.95Å; W922-F926 HydrophobicContact CZ3-CD1 4.08Å; W922-F926 AromaticContact CZ3-CE1 3.49Å; W922-F926 HydrophobicContact CZ3-CE1 3.49Å; W922-F926 VanDerWaalsContact CZ3-CE1 3.49Å; W922-F926 AromaticContact CZ3-CZ 3.88Å; W922-F926 HydrophobicContact CZ3-CZ 3.88Å; W922-F927 HydrophobicContact CB-CE2 3.82Å; W922-F927 HydrophobicContact CB-CZ 4.31Å; W922-F927 HydrophobicContact CD2-CE2 4.46Å; W922-F927 HydrophobicContact CD2-CZ 4.08Å; W922-F927 AromaticContact CE3-CE1 3.98Å; W922-F927 HydrophobicContact CE3-CE1 3.98Å; W922-F927 AromaticContact CE3-CE2 3.86Å; W922-F927 HydrophobicContact CE3-CE2 3.86Å; W922-F927 AromaticContact CE3-CZ 3.23Å; W922-F927 HydrophobicContact CE3-CZ 3.23Å; W922-F927 HydrophobicContact CZ3-CE1 4.05Å; W922-F927 AromaticContact CZ3-CZ 3.7Å; W922-F927 HydrophobicContact CZ3-CZ 3.7Å |
| 923 | P | 89.1 | Confident | 86.1 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 145.5 | -178.2 | 22.3 | -29.4 | 0 | 0 | 0 | 111.4 | F721 Y725 T825 F925 F926 | F721-P923 HydrophobicContact CE1-CG 4.12Å; F721-P923 HydrophobicContact CZ-CG 4Å; Y725-P923 HydrophobicContact CD2-CG 4.06Å; Y725-P923 HydrophobicContact CE2-CG 3.82Å; T825-P923 HydrophobicContact CG2-CB 3.66Å; P923-F925 PolarHBondContact O-N 3.36Å; P923-F926 HydrophobicContact CG-CB 4.21Å; P923-F926 WeakPolarHBondContact O-CB 3.22Å; P923-F926 PolarHBondContact O-N 3.39Å |
| 924 | R | 86.3 | Confident | 85.8 | Confident | 80 Ų | 80 | 26.9 Ų | 26.9 | 30% | 0.302 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -57.9 | -39.3 | -179.6 | 179.6 | -177.3 | -175.1 | 173.7 | 3.4 | 111.8 | T825 F926 F927 Q928 | T825-R924 PolarHBondContact OG1-N 3.26Å; R924-F926 PolarHBondContact O-N 3.43Å; R924-F926 VanDerWaalsContact O-N 3.14Å; R924-F927 PolarHBondContact O-N 2.91Å; R924-Q928 PolarHBondContact O-N 3.36Å |
| 925 | F | 90.2 | Very high | 85.7 | Confident | 10 Ų | 10 | 24.7 Ų | 24.7 | 4% | 0.044 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.5 | -24.3 | 178.3 | -165.2 | -120 | 0 | 0 | 0 | 113.2 | F721 D820 A821 T825 P923 F927 R929 | F721-F925 HydrophobicContact CB-CD1 4.47Å; F721-F925 HydrophobicContact CB-CE1 4.27Å; F721-F925 AromaticContact CD1-CD1 3.84Å; F721-F925 HydrophobicContact CD1-CD1 3.84Å; F721-F925 HydrophobicContact CD1-CE1 4.46Å; F721-F925 AromaticContact CD2-CD1 3.56Å; F721-F925 HydrophobicContact CD2-CD1 3.56Å; F721-F925 AromaticContact CD2-CE1 3.75Å; F721-F925 HydrophobicContact CD2-CE1 3.75Å; F721-F925 HydrophobicContact CE1-CB 4.33Å; F721-F925 AromaticContact CE1-CD1 3.93Å; F721-F925 HydrophobicContact CE1-CD1 3.93Å; F721-F925 AromaticContact CE2-CD1 3.66Å; F721-F925 HydrophobicContact CE2-CD1 3.66Å; F721-F925 HydrophobicContact CE2-CE1 4.24Å; F721-F925 AromaticContact CG-CD1 3.66Å; F721-F925 HydrophobicContact CG-CD1 3.66Å; F721-F925 AromaticContact CG-CE1 3.88Å; F721-F925 HydrophobicContact CG-CE1 3.88Å; F721-F925 HydrophobicContact CZ-CB 4.36Å; F721-F925 AromaticContact CZ-CD1 3.84Å; F721-F925 HydrophobicContact CZ-CD1 3.84Å; D820-F925 VanDerWaalsContact C-CE2 3.45Å; D820-F925 HydrophobicContact CB-CE2 3.88Å; D820-F925 HydrophobicContact CB-CZ 3.98Å; D820-F925 VanDerWaalsContact O-CE2 3.28Å; D820-F925 WeakPolarHBondContact O-CE2 3.35Å; A821-F925 VanDerWaalsContact CA-CD2 3.5Å; A821-F925 HydrophobicContact CB-CB 4.08Å; A821-F925 HydrophobicContact CB-CD1 3.85Å; A821-F925 HydrophobicContact CB-CD2 3.94Å; A821-F925 HydrophobicContact CB-CE1 4.21Å; A821-F925 HydrophobicContact CB-CE2 4.25Å; A821-F925 HydrophobicContact CB-CG 3.71Å; A821-F925 HydrophobicContact CB-CZ 4.39Å; T825-F925 HydrophobicContact CG2-CB 3.75Å; T825-F925 WeakPolarHBondContact OG1-CB 3.43Å; T825-F925 PolarHBondContact OG1-N 3.11Å; P923-F925 PolarHBondContact O-N 3.36Å; F925-F927 PolarHBondContact O-N 3.22Å; F925-R929 HydrophobicContact CD2-CG 4.49Å; F925-R929 HydrophobicContact CE2-CB 4.17Å; F925-R929 HydrophobicContact CE2-CG 3.71Å; F925-R929 HydrophobicContact CZ-CG 4.42Å |
| 926 | F | 90.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.2 | -36 | 173 | -166.8 | -82.8 | 0 | 0 | 0 | 112.3 | W638 L642 F721 Q722 Y725 I726 W922 P923 R924 | W638-F926 HydrophobicContact CH2-CE1 4.18Å; L642-F926 HydrophobicContact CD2-CE1 3.74Å; L642-F926 HydrophobicContact CD2-CZ 4.44Å; F721-F926 HydrophobicContact CD1-CD2 4.47Å; F721-F926 HydrophobicContact CE1-CB 4Å; F721-F926 HydrophobicContact CE1-CD2 4.21Å; Q722-F926 HydrophobicContact CB-CD2 4.15Å; Q722-F926 HydrophobicContact CB-CE1 4.37Å; Q722-F926 HydrophobicContact CB-CE2 3.57Å; Q722-F926 HydrophobicContact CB-CZ 3.7Å; Q722-F926 HydrophobicContact CG-CD1 3.98Å; Q722-F926 HydrophobicContact CG-CD2 3.79Å; Q722-F926 HydrophobicContact CG-CE1 3.81Å; Q722-F926 HydrophobicContact CG-CE2 3.62Å; Q722-F926 HydrophobicContact CG-CG 3.97Å; Q722-F926 HydrophobicContact CG-CZ 3.63Å; Q722-F926 PolarHBondContact NE2-O 3.27Å; Y725-F926 AromaticContact CD1-CD2 3.82Å; Y725-F926 HydrophobicContact CD1-CD2 3.82Å; Y725-F926 AromaticContact CD1-CE2 3.91Å; Y725-F926 HydrophobicContact CD1-CE2 3.91Å; Y725-F926 HydrophobicContact CG-CD2 4.34Å; I726-F926 HydrophobicContact CD1-CE2 4.26Å; I726-F926 HydrophobicContact CD1-CZ 4.18Å; I726-F926 HydrophobicContact CG1-CE2 4.3Å; W922-F926 AromaticContact CE3-CD1 3.67Å; W922-F926 HydrophobicContact CE3-CD1 3.67Å; W922-F926 AromaticContact CE3-CE1 3.53Å; W922-F926 HydrophobicContact CE3-CE1 3.53Å; W922-F926 HydrophobicContact CE3-CE2 4.45Å; W922-F926 HydrophobicContact CE3-CG 4.21Å; W922-F926 AromaticContact CE3-CZ 3.95Å; W922-F926 HydrophobicContact CE3-CZ 3.95Å; W922-F926 HydrophobicContact CZ3-CD1 4.08Å; W922-F926 AromaticContact CZ3-CE1 3.49Å; W922-F926 HydrophobicContact CZ3-CE1 3.49Å; W922-F926 VanDerWaalsContact CZ3-CE1 3.49Å; W922-F926 AromaticContact CZ3-CZ 3.88Å; W922-F926 HydrophobicContact CZ3-CZ 3.88Å; P923-F926 HydrophobicContact CG-CB 4.21Å; P923-F926 WeakPolarHBondContact O-CB 3.22Å; P923-F926 PolarHBondContact O-N 3.39Å; R924-F926 PolarHBondContact O-N 3.43Å; R924-F926 VanDerWaalsContact O-N 3.14Å |
| 927 | F | 86.4 | Confident | 84.9 | Confident | 32 Ų | 32 | 27.5 Ų | 27.5 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -108.2 | -29.2 | -176.2 | -57.4 | -79.7 | 0 | 0 | 0 | 113.8 | R608 N611 L642 W922 R924 F925 | R608-F927 HydrophobicContact CG-CB 4.14Å; R608-F927 HydrophobicContact CG-CD1 4.08Å; R608-F927 HydrophobicContact CG-CD2 3.79Å; R608-F927 HydrophobicContact CG-CE1 4.39Å; R608-F927 HydrophobicContact CG-CE2 4.1Å; R608-F927 HydrophobicContact CG-CG 3.75Å; R608-F927 HydrophobicContact CG-CZ 4.37Å; N611-F927 HydrophobicContact CB-CZ 4.24Å; L642-F927 HydrophobicContact CD2-CE1 4.21Å; W922-F927 HydrophobicContact CB-CE2 3.82Å; W922-F927 HydrophobicContact CB-CZ 4.31Å; W922-F927 HydrophobicContact CD2-CE2 4.46Å; W922-F927 HydrophobicContact CD2-CZ 4.08Å; W922-F927 AromaticContact CE3-CE1 3.98Å; W922-F927 HydrophobicContact CE3-CE1 3.98Å; W922-F927 AromaticContact CE3-CE2 3.86Å; W922-F927 HydrophobicContact CE3-CE2 3.86Å; W922-F927 AromaticContact CE3-CZ 3.23Å; W922-F927 HydrophobicContact CE3-CZ 3.23Å; W922-F927 HydrophobicContact CZ3-CE1 4.05Å; W922-F927 AromaticContact CZ3-CZ 3.7Å; W922-F927 HydrophobicContact CZ3-CZ 3.7Å; R924-F927 PolarHBondContact O-N 2.91Å; F925-F927 PolarHBondContact O-N 3.22Å |
| 928 | Q | 85.1 | Confident | 84.6 | Confident | 55 Ų | 55 | 26.3 Ų | 26.3 | 26% | 0.257 | 13% | 0.127 | S | C | . | . | trans | -143.5 | 119.1 | -170.7 | -175.8 | -179.4 | 16.6 | 0 | 0 | 111.6 | R924 L930 | R924-Q928 PolarHBondContact O-N 3.36Å; Q928-L930 HydrophobicContact CG-CD2 4.16Å | ||
| 929 | R | 84.8 | Confident | 84.7 | Confident | 66 Ų | 66 | 24.9 Ų | 24.9 | 25% | 0.249 | 12% | 0.12 | C | C | . | . | trans | -91.2 | 122.2 | 170.9 | -171.1 | 151.8 | -162.3 | 175 | 6.9 | 109.5 | D820 F925 Q931 | D820-R929 IonicContact OD2-CZ 3.57Å; D820-R929 VanDerWaalsContact OD2-CZ 3.28Å; D820-R929 IonicContact OD2-NE 3.89Å; D820-R929 PolarHBondContact OD2-NE 3.36Å; D820-R929 IonicContact OD2-NH2 3.92Å; D820-R929 PolarHBondContact OD2-NH2 2.83Å; F925-R929 HydrophobicContact CD2-CG 4.49Å; F925-R929 HydrophobicContact CE2-CB 4.17Å; F925-R929 HydrophobicContact CE2-CG 3.71Å; F925-R929 HydrophobicContact CZ-CG 4.42Å; R929-Q931 WeakPolarHBondContact CG-O 3.35Å; R929-Q931 PolarHBondContact NE-O 2.87Å | ||
| 930 | L | 85 | Confident | 85 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -93.8 | -28.5 | -179.6 | -66.6 | -178.5 | 0 | 0 | 0 | 112.9 | D822 Q928 R972 L973 L979 | D822-L930 HydrophobicContact CB-CD1 4.32Å; Q928-L930 HydrophobicContact CG-CD2 4.16Å; L930-R972 PolarHBondContact O-N 3.25Å; L930-L973 HydrophobicContact CD1-CD2 4.42Å; L930-L979 HydrophobicContact CB-CD1 4.04Å |
| 931 | Q | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.4 | 173.9 | -178.3 | 172.9 | -51.1 | 0 | 0 | 109.5 | D820 R929 T933 R970 L978 L979 R980 | D820-Q931 HydrophobicContact CB-CB 4.49Å; D820-Q931 VanDerWaalsContact CB-O 3.23Å; D820-Q931 WeakPolarHBondContact CB-O 3.32Å; D820-Q931 VanDerWaalsContact CG-O 3.25Å; D820-Q931 WeakPolarHBondContact OD1-CG 3.5Å; D820-Q931 PolarHBondContact OD1-NE2 3.39Å; R929-Q931 WeakPolarHBondContact CG-O 3.35Å; R929-Q931 PolarHBondContact NE-O 2.87Å; Q931-T933 PolarHBondContact NE2-OG1 3.35Å; Q931-T933 VanDerWaalsContact NE2-OG1 3.15Å; Q931-R970 CarbonylContact C-O 3.46Å; Q931-R970 VanDerWaalsContact CA-O 3.27Å; Q931-R970 WeakPolarHBondContact CA-O 3.43Å; Q931-L978 HydrophobicContact CG-CD2 4.24Å; Q931-L979 HydrophobicContact CB-CD1 4.17Å; Q931-L979 HydrophobicContact CB-CG 4.49Å; Q931-R980 PolarHBondContact NE2-O 3.42Å |
| 932 | T | 87.3 | Confident | 84.8 | Confident | 53 Ų | 53 | 32.2 Ų | 32.2 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.9 | 168.2 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | D820 T934 Q969 R970 | D820-T932 VanDerWaalsContact OD2-CA 3.28Å; D820-T932 WeakPolarHBondContact OD2-CA 3.5Å; T932-T934 HydrophobicContact CG2-CG2 4.24Å; T932-Q969 CarbonylContact O-C 3.56Å; T932-Q969 WeakPolarHBondContact O-CA 3.4Å; T932-R970 PolarHBondContact N-O 2.68Å; T932-R970 PolarHBondContact O-N 3.01Å |
| 933 | T | 88.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.7 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 109.3 | L819 D820 Q931 V967 Q968 Q969 I982 L1071 | L819-T933 HydrophobicContact CD2-CG2 3.62Å; D820-T933 WeakPolarHBondContact OD1-CB 3.38Å; D820-T933 PolarHBondContact OD1-N 3.29Å; D820-T933 PolarHBondContact OD1-OG1 2.86Å; D820-T933 PolarHBondContact OD2-N 3.36Å; Q931-T933 PolarHBondContact NE2-OG1 3.35Å; Q931-T933 VanDerWaalsContact NE2-OG1 3.15Å; T933-V967 HydrophobicContact CG2-CG1 3.98Å; T933-Q968 CarbonylContact C-O 3.54Å; T933-Q968 WeakPolarHBondContact CA-O 3.43Å; T933-Q969 HydrophobicContact CG2-CG 3.94Å; T933-I982 HydrophobicContact CG2-CG1 4.31Å; T933-L1071 HydrophobicContact CG2-CD1 3.81Å |
| 934 | T | 85.6 | Confident | 82.7 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 23% | 0.233 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.5 | 176 | 59.9 | 0 | 0 | 0 | 0 | 111 | T932 V967 Q968 G1086 | T932-T934 HydrophobicContact CG2-CG2 4.24Å; T934-V967 CarbonylContact O-C 3.52Å; T934-V967 WeakPolarHBondContact O-CA 3.04Å; T934-Q968 PolarHBondContact N-O 2.8Å; T934-Q968 PolarHBondContact O-N 2.84Å; T934-G1086 CarbonylContact C-O 3.57Å; T934-G1086 WeakPolarHBondContact CA-O 3.41Å |
| 935 | V | 86.7 | Confident | 81.2 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.5 | 177.1 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | L937 V966 V967 F1024 P1069 L1071 G1086 A1087 | V935-L937 HydrophobicContact CG1-CD2 4.14Å; V935-L937 HydrophobicContact CG1-CG 4.49Å; V935-V966 WeakPolarHBondContact CA-O 3.02Å; V935-V967 HydrophobicContact CG1-CG2 4.39Å; V935-V967 HydrophobicContact CG2-CG2 4.34Å; V935-F1024 HydrophobicContact CG1-CE1 4.27Å; V935-F1024 HydrophobicContact CG1-CZ 4.32Å; V935-P1069 HydrophobicContact CB-CG 4.39Å; V935-P1069 HydrophobicContact CG1-CB 4.05Å; V935-P1069 HydrophobicContact CG1-CG 4.04Å; V935-L1071 HydrophobicContact CG2-CD1 3.57Å; V935-L1071 HydrophobicContact CG2-CD2 3.53Å; V935-L1071 HydrophobicContact CG2-CG 3.81Å; V935-G1086 PolarHBondContact N-O 2.74Å; V935-A1087 HydrophobicContact CB-CB 4.21Å; V935-A1087 HydrophobicContact CG2-CB 4.25Å |
| 936 | R | 79.5 | Confident | 79.6 | Confident | 70 Ų | 70 | 39.1 Ų | 39.1 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.4 | 170.9 | -63.7 | -172.6 | -173.4 | 165.8 | 5.7 | 109.5 | K49 G965 V966 | K49-R936 PolarHBondContact O-NH1 3Å; R936-G965 CarbonylContact O-C 3.56Å; R936-G965 WeakPolarHBondContact O-CA 3.26Å; R936-V966 PolarHBondContact N-O 3Å; R936-V966 PolarHBondContact O-N 3.39Å |
| 937 | L | 84.4 | Confident | 78.2 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 156 | 178.5 | -62.5 | -176.2 | 0 | 0 | 0 | 110.4 | V935 V963 M964 I987 F1024 A1067 P1069 E1090 | V935-L937 HydrophobicContact CG1-CD2 4.14Å; V935-L937 HydrophobicContact CG1-CG 4.49Å; L937-V963 HydrophobicContact CD2-CG1 4.26Å; L937-M964 CarbonylContact C-O 3.57Å; L937-M964 WeakPolarHBondContact CA-O 3.16Å; L937-I987 HydrophobicContact CD1-CD1 4.45Å; L937-I987 HydrophobicContact CD2-CD1 3.82Å; L937-F1024 HydrophobicContact CD2-CE2 3.98Å; L937-F1024 HydrophobicContact CD2-CZ 3.45Å; L937-F1024 VanDerWaalsContact CD2-CZ 3.45Å; L937-A1067 HydrophobicContact CD1-CB 4.32Å; L937-A1067 WeakPolarHBondContact CD1-O 3.11Å; L937-P1069 HydrophobicContact CD1-CB 4.07Å; L937-P1069 HydrophobicContact CD1-CG 3.76Å; L937-P1069 HydrophobicContact CD2-CB 4.26Å; L937-P1069 HydrophobicContact CG-CB 4.48Å; L937-P1069 HydrophobicContact CG-CG 4.21Å; L937-E1090 HydrophobicContact CB-CB 3.96Å; L937-E1090 HydrophobicContact CB-CG 3.59Å; L937-E1090 VanDerWaalsContact O-CG 3.31Å; L937-E1090 WeakPolarHBondContact O-CG 3.47Å |
| 938 | V | 81 | Confident | 77.3 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 21% | 0.212 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 123.4 | 166.6 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | F52 L940 M964 | F52-V938 HydrophobicContact CE1-CG2 3.86Å; F52-V938 HydrophobicContact CZ-CG2 3.83Å; V938-L940 HydrophobicContact CG1-CD2 4.47Å; V938-L940 HydrophobicContact CG1-CG 4.37Å; V938-M964 PolarHBondContact N-O 3.23Å; V938-M964 PolarHBondContact O-N 3.49Å |
| 939 | L | 82.7 | Confident | 76.7 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.5 | 170.8 | -77.5 | 166.9 | 0 | 0 | 0 | 110.7 | K942 V961 V963 A1067 E1090 V1092 | L939-K942 WeakPolarHBondContact O-CE 3.39Å; L939-K942 WeakPolarHBondContact O-CG 3.43Å; L939-V961 HydrophobicContact CD2-CG1 3.42Å; L939-V961 VanDerWaalsContact CD2-CG1 3.42Å; L939-V963 HydrophobicContact CD2-CG2 3.67Å; L939-A1067 HydrophobicContact CD1-CB 4Å; L939-A1067 HydrophobicContact CD2-CB 3.92Å; L939-A1067 HydrophobicContact CG-CB 4.13Å; L939-E1090 HydrophobicContact CD1-CB 3.86Å; L939-E1090 WeakPolarHBondContact CD1-O 3.45Å; L939-E1090 HydrophobicContact CG-CB 4.1Å; L939-V1092 HydrophobicContact CB-CG2 3.61Å; L939-V1092 HydrophobicContact CD1-CB 4.49Å; L939-V1092 HydrophobicContact CD1-CG2 3.9Å; L939-V1092 HydrophobicContact CG-CG2 4.4Å |
| 940 | L | 77.9 | Confident | 76.4 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 32% | 0.319 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.8 | 171.7 | -66.1 | 175.7 | 0 | 0 | 0 | 110.5 | V938 V961 Q962 M964 | V938-L940 HydrophobicContact CG1-CD2 4.47Å; V938-L940 HydrophobicContact CG1-CG 4.37Å; L940-V961 WeakPolarHBondContact O-CA 3.2Å; L940-Q962 HydrophobicContact CB-CB 4.26Å; L940-Q962 PolarHBondContact N-O 2.92Å; L940-Q962 PolarHBondContact O-N 3.4Å; L940-M964 HydrophobicContact CD1-CE 3.44Å; L940-M964 VanDerWaalsContact CD1-CE 3.44Å; L940-M964 HydrophobicContact CG-CE 4.3Å |
| 941 | P | 81.5 | Confident | 76.2 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | S | Bend | cis | -78.8 | 154.9 | -1 | 30.5 | -32.8 | 0 | 0 | 0 | 113.6 | L951 H959 | P941-L951 HydrophobicContact CG-CD2 3.84Å; P941-H959 WeakPolarHBondContact CD-NE2 3.47Å; P941-H959 WeakPolarHBondContact CG-NE2 3.47Å |
| 942 | K | 72.2 | Confident | 75.7 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | trans | -109.4 | 139.2 | 170.8 | -63.1 | -165.4 | 173.1 | -166.2 | 0 | 109.4 | L939 G944 E1090 V1092 | L939-K942 WeakPolarHBondContact O-CE 3.39Å; L939-K942 WeakPolarHBondContact O-CG 3.43Å; K942-G944 VanDerWaalsContact C-N 3.26Å; K942-G944 PolarHBondContact O-N 3.37Å; K942-E1090 IonicContact NZ-OE2 3.24Å; K942-E1090 PolarHBondContact NZ-OE2 3.33Å; K942-V1092 HydrophobicContact CG-CG2 4.39Å | ||
| 943 | A | 67.8 | Low | 75.4 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -68.5 | -27.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D949 V950 L951 | A943-D949 HydrophobicContact CB-CB 4.11Å; A943-V950 VanDerWaalsContact CB-C 3.46Å; A943-V950 WeakPolarHBondContact CB-O 3.4Å; A943-L951 HydrophobicContact CB-CB 3.95Å; A943-L951 HydrophobicContact CB-CD1 4.22Å |
| 944 | G | 64.1 | Low | 74.8 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -173.1 | -162.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K942 D949 | K942-G944 VanDerWaalsContact C-N 3.26Å; K942-G944 PolarHBondContact O-N 3.37Å; G944-D949 VanDerWaalsContact C-OD2 3.24Å; G944-D949 VanDerWaalsContact CA-OD2 3.22Å; G944-D949 WeakPolarHBondContact CA-OD2 3.38Å |
| 945 | S | 55.1 | Low | 73.9 | Confident | 85 Ų | 85 | 48.4 Ų | 48.4 | 59% | 0.594 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -96.5 | -14.3 | -174.4 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | D949 | S945-D949 PolarHBondContact N-OD2 3.1Š|
| 946 | N | 57.6 | Low | 72.7 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -91.6 | 145.7 | 176.2 | -69.1 | -39.7 | 0 | 0 | 0 | 110.7 | K15 D948 D949 | K15-N946 WeakPolarHBondContact CE-OD1 3.36Å; K15-N946 PolarHBondContact NZ-OD1 3.2Å; N946-D948 PolarHBondContact O-N 2.76Å; N946-D949 PolarHBondContact N-OD2 2.97Å; N946-D949 WeakPolarHBondContact O-CB 3.49Å; N946-D949 PolarHBondContact O-N 3.41Å |
| 947 | P | 60.6 | Low | 72.1 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22 | 176.3 | 26.8 | -34.8 | 0 | 0 | 0 | 113 | D949 | P947-D949 VanDerWaalsContact C-N 3.34Š|
| 948 | D | 67.4 | Low | 71.7 | Confident | 90 Ų | 90 | 58 Ų | 58 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -5.9 | 178.3 | -55.9 | -33.6 | 0 | 0 | 0 | 112.9 | N946 V950 | N946-D948 PolarHBondContact O-N 2.76Å; D948-V950 WeakPolarHBondContact O-CG2 3.31Å; D948-V950 PolarHBondContact O-N 3.5Å |
| 949 | D | 72.5 | Confident | 71.8 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 117.8 | -179.5 | -66.1 | -22.6 | 0 | 0 | 0 | 109.3 | A943 G944 S945 N946 P947 | A943-D949 HydrophobicContact CB-CB 4.11Å; G944-D949 VanDerWaalsContact C-OD2 3.24Å; G944-D949 VanDerWaalsContact CA-OD2 3.22Å; G944-D949 WeakPolarHBondContact CA-OD2 3.38Å; S945-D949 PolarHBondContact N-OD2 3.1Å; N946-D949 PolarHBondContact N-OD2 2.97Å; N946-D949 WeakPolarHBondContact O-CB 3.49Å; N946-D949 PolarHBondContact O-N 3.41Å; P947-D949 VanDerWaalsContact C-N 3.34Å |
| 950 | V | 77.6 | Confident | 71.9 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125 | -174.7 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | A943 D948 L1093 R1095 | A943-V950 VanDerWaalsContact CB-C 3.46Å; A943-V950 WeakPolarHBondContact CB-O 3.4Å; D948-V950 WeakPolarHBondContact O-CG2 3.31Å; D948-V950 PolarHBondContact O-N 3.5Å; V950-L1093 HydrophobicContact CB-CB 4.39Å; V950-L1093 HydrophobicContact CG1-CB 4.28Å; V950-L1093 HydrophobicContact CG2-CB 4.01Å; V950-L1093 HydrophobicContact CG2-CD1 4.18Å; V950-R1095 HydrophobicContact CG1-CB 3.61Å |
| 951 | L | 80.6 | Confident | 72.3 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 116.3 | 176 | -178.6 | 71.1 | 0 | 0 | 0 | 110.3 | P941 A943 I953 H959 L1093 V1094 R1095 | P941-L951 HydrophobicContact CG-CD2 3.84Å; A943-L951 HydrophobicContact CB-CB 3.95Å; A943-L951 HydrophobicContact CB-CD1 4.22Å; L951-I953 HydrophobicContact CD2-CD1 3.95Å; L951-I953 HydrophobicContact CD2-CG1 4.22Å; L951-I953 HydrophobicContact CG-CD1 4.33Å; L951-I953 HydrophobicContact CG-CG1 4.08Å; L951-H959 WeakPolarHBondContact CD2-NE2 3.3Å; L951-L1093 WeakPolarHBondContact CB-O 3.28Å; L951-L1093 PolarHBondContact N-O 2.67Å; L951-V1094 HydrophobicContact CB-CG2 4.34Å; L951-V1094 HydrophobicContact CD2-CG2 4.38Å; L951-V1094 CarbonylContact O-C 3.52Å; L951-V1094 VanDerWaalsContact O-CA 3.23Å; L951-V1094 WeakPolarHBondContact O-CA 3.46Å; L951-R1095 PolarHBondContact O-N 3.46Å |
| 952 | T | 79.5 | Confident | 72.6 | Confident | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131 | 178.3 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | R1095 E1097 | T952-R1095 CarbonylContact C-O 3.3Å; T952-R1095 WeakPolarHBondContact CA-O 3.46Å; T952-E1097 HydrophobicContact CG2-CG 3.58Å; T952-E1097 VanDerWaalsContact CG2-OE1 3.26Å; T952-E1097 WeakPolarHBondContact CG2-OE1 3.25Å |
| 953 | I | 80.8 | Confident | 73.3 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147 | -177.4 | -44.8 | 176.3 | 0 | 0 | 0 | 109.2 | L951 H959 F1032 V1094 R1095 V1096 E1097 | L951-I953 HydrophobicContact CD2-CD1 3.95Å; L951-I953 HydrophobicContact CD2-CG1 4.22Å; L951-I953 HydrophobicContact CG-CD1 4.33Å; L951-I953 HydrophobicContact CG-CG1 4.08Å; I953-H959 HydrophobicContact CD1-CB 3.91Å; I953-H959 VanDerWaalsContact CD1-CG 3.4Å; I953-H959 WeakPolarHBondContact CD1-ND1 3.3Å; I953-F1032 HydrophobicContact CD1-CE2 4.36Å; I953-V1094 HydrophobicContact CD1-CB 4.46Å; I953-V1094 HydrophobicContact CD1-CG1 3.31Å; I953-V1094 HydrophobicContact CD1-CG2 4.33Å; I953-V1094 HydrophobicContact CG1-CG1 3.83Å; I953-R1095 PolarHBondContact N-O 3.04Å; I953-V1096 WeakPolarHBondContact O-CA 3.36Å; I953-E1097 PolarHBondContact O-N 3.35Å |
| 954 | S | 74.7 | Confident | 74.2 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 145.4 | 172.8 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | D956 I957 | S954-D956 VanDerWaalsContact C-N 3.27Å; S954-D956 PolarHBondContact O-N 3.08Å; S954-I957 WeakPolarHBondContact OG-CD1 2.99Å |
| 955 | N | 67.7 | Low | 75.2 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 23% | 0.225 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.7 | -175.9 | -164.4 | 30.3 | 0 | 0 | 0 | 115 | I957 V1096 E1097 | N955-I957 VanDerWaalsContact C-N 3.33Å; N955-I957 PolarHBondContact O-N 3.32Å; N955-V1096 HydrophobicContact CB-CG1 3.75Å; N955-V1096 WeakPolarHBondContact OD1-CG1 3.36Å; N955-E1097 VanDerWaalsContact CB-O 3.31Å; N955-E1097 WeakPolarHBondContact CB-O 3.43Å |
| 956 | D | 62.6 | Low | 76.5 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 62% | 0.615 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.9 | -173.9 | -65.5 | -25.9 | 0 | 0 | 0 | 113.7 | S954 L1099 | S954-D956 VanDerWaalsContact C-N 3.27Å; S954-D956 PolarHBondContact O-N 3.08Å; D956-L1099 VanDerWaalsContact OD2-CD1 3.22Å; D956-L1099 WeakPolarHBondContact OD2-CD1 3.3Å |
| 957 | I | 65.2 | Low | 78 | Confident | 107 Ų | 107 | 46 Ų | 46 | 55% | 0.549 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -116.8 | 133 | -166.1 | -53.9 | 178.6 | 0 | 0 | 0 | 110.5 | S954 N955 H959 | S954-I957 WeakPolarHBondContact OG-CD1 2.99Å; N955-I957 VanDerWaalsContact C-N 3.33Å; N955-I957 PolarHBondContact O-N 3.32Å; I957-H959 PolarHBondContact O-N 3.37Å |
| 958 | C | 76.3 | Confident | 79.1 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 130.4 | 166.5 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | C1029 I1030 | C958-C1029 WeakPolarHBondContact CB-SG 3.41Å; C958-I1030 CarbonylContact C-O 3.51Å; C958-I1030 WeakPolarHBondContact CA-O 3.35Å |
| 959 | H | 83.1 | Confident | 80.1 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.5 | -176.8 | -169.4 | 60.6 | 0 | 0 | 0 | 111.9 | P941 L951 I953 I957 I1030 F1032 | P941-H959 WeakPolarHBondContact CD-NE2 3.47Å; P941-H959 WeakPolarHBondContact CG-NE2 3.47Å; L951-H959 WeakPolarHBondContact CD2-NE2 3.3Å; I953-H959 HydrophobicContact CD1-CB 3.91Å; I953-H959 VanDerWaalsContact CD1-CG 3.4Å; I953-H959 WeakPolarHBondContact CD1-ND1 3.3Å; I957-H959 PolarHBondContact O-N 3.37Å; H959-I1030 PolarHBondContact N-O 3.48Å; H959-I1030 PolarHBondContact O-N 2.75Å; H959-F1032 HydrophobicContact CB-CE2 3.93Å |
| 960 | M | 85.6 | Confident | 80.5 | Confident | 89 Ų | 89 | 45.5 Ų | 45.5 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.3 | 174 | -72.3 | -60.6 | -64.1 | 0 | 0 | 110.2 | E1027 F1028 C1029 | M960-E1027 HydrophobicContact CE-CB 3.9Å; M960-F1028 WeakPolarHBondContact CA-O 3.48Å; M960-C1029 HydrophobicContact SD-CB 3.63Å |
| 961 | V | 86.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.6 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | L939 L940 V963 I989 E1027 F1028 I1030 I1065 | L939-V961 HydrophobicContact CD2-CG1 3.42Å; L939-V961 VanDerWaalsContact CD2-CG1 3.42Å; L940-V961 WeakPolarHBondContact O-CA 3.2Å; V961-V963 HydrophobicContact CG1-CG2 4.38Å; V961-I989 HydrophobicContact CG1-CD1 4.25Å; V961-E1027 WeakPolarHBondContact O-CA 3.44Å; V961-F1028 PolarHBondContact N-O 2.71Å; V961-F1028 PolarHBondContact O-N 3.39Å; V961-I1030 HydrophobicContact CB-CD1 4.25Å; V961-I1030 HydrophobicContact CG2-CD1 3.58Å; V961-I1030 HydrophobicContact CG2-CG1 4.29Å; V961-I1065 HydrophobicContact CG2-CD1 3.97Å |
| 962 | Q | 86.5 | Confident | 80.6 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.2 | 172.3 | -65.1 | -174.7 | -24.9 | 0 | 0 | 109.2 | L940 E1027 | L940-Q962 HydrophobicContact CB-CB 4.26Å; L940-Q962 PolarHBondContact N-O 2.92Å; L940-Q962 PolarHBondContact O-N 3.4Å; Q962-E1027 HydrophobicContact CG-CG 4.07Å; Q962-E1027 PolarHBondContact NE2-OE1 2.86Å |
| 963 | V | 87.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.5 | 173.5 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | L937 L939 V961 I987 I989 H1025 C1026 F1028 | L937-V963 HydrophobicContact CD2-CG1 4.26Å; L939-V963 HydrophobicContact CD2-CG2 3.67Å; V961-V963 HydrophobicContact CG1-CG2 4.38Å; V963-I987 HydrophobicContact CB-CG2 4.49Å; V963-I987 HydrophobicContact CG1-CD1 4.33Å; V963-I987 HydrophobicContact CG1-CG1 4.16Å; V963-I987 HydrophobicContact CG1-CG2 4.1Å; V963-I987 HydrophobicContact CG2-CG2 4.22Å; V963-I989 HydrophobicContact CG2-CD1 4Å; V963-H1025 WeakPolarHBondContact O-CA 3.29Å; V963-C1026 PolarHBondContact N-O 3.3Å; V963-C1026 PolarHBondContact O-N 2.76Å; V963-F1028 HydrophobicContact CB-CE2 4.32Å; V963-F1028 HydrophobicContact CG2-CD2 3.79Å; V963-F1028 HydrophobicContact CG2-CE2 3.72Å |
| 964 | M | 85.3 | Confident | 79.3 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 16% | 0.163 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 150.6 | 171.1 | -65.1 | -173.9 | -64.2 | 0 | 0 | 109.5 | L937 V938 L940 Y1023 F1024 | L937-M964 CarbonylContact C-O 3.57Å; L937-M964 WeakPolarHBondContact CA-O 3.16Å; V938-M964 PolarHBondContact N-O 3.23Å; V938-M964 PolarHBondContact O-N 3.49Å; L940-M964 HydrophobicContact CD1-CE 3.44Å; L940-M964 VanDerWaalsContact CD1-CE 3.44Å; L940-M964 HydrophobicContact CG-CE 4.3Å; M964-Y1023 HydrophobicContact CB-CE2 4.1Å; M964-Y1023 HydrophobicContact CG-CE2 4.39Å; M964-Y1023 WeakPolarHBondContact CG-OH 3.47Å; M964-Y1023 HydrophobicContact SD-CE2 4.42Å; M964-Y1023 PolarHBondContact SD-OH 2.7Å; M964-F1024 WeakPolarHBondContact CA-O 3.33Å |
| 965 | G | 85 | Confident | 78.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 167 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R936 Y1023 F1024 | R936-G965 CarbonylContact O-C 3.56Å; R936-G965 WeakPolarHBondContact O-CA 3.26Å; G965-Y1023 WeakPolarHBondContact O-CA 3.47Å; G965-Y1023 VanDerWaalsContact O-CD2 3.29Å; G965-Y1023 WeakPolarHBondContact O-CD2 3.29Å; G965-F1024 VanDerWaalsContact C-CE1 3.44Å; G965-F1024 PolarHBondContact N-O 2.82Å; G965-F1024 WeakPolarHBondContact O-CD1 3.38Å; G965-F1024 PolarHBondContact O-N 3.47Å |
| 966 | V | 83.3 | Confident | 78.5 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.5 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | P51 F52 V935 R936 Q968 D1022 Y1023 | P51-V966 HydrophobicContact CG-CB 4.41Å; P51-V966 HydrophobicContact CG-CG1 3.87Å; P51-V966 HydrophobicContact CG-CG2 4.35Å; F52-V966 HydrophobicContact CD1-CG2 3.96Å; F52-V966 HydrophobicContact CE1-CG2 3.9Å; V935-V966 WeakPolarHBondContact CA-O 3.02Å; R936-V966 PolarHBondContact N-O 3Å; R936-V966 PolarHBondContact O-N 3.39Å; V966-Q968 HydrophobicContact CG1-CG 4.09Å; V966-D1022 CarbonylContact C-O 3.47Å; V966-D1022 VanDerWaalsContact CA-O 3.22Å; V966-D1022 WeakPolarHBondContact CA-O 3.43Å; V966-D1022 HydrophobicContact CG1-CB 4.17Å; V966-D1022 WeakPolarHBondContact CG1-O 3.44Å; V966-D1022 WeakPolarHBondContact CG1-OD2 3.45Å; V966-Y1023 HydrophobicContact CG2-CD2 4.15Å |
| 967 | V | 88.4 | Confident | 79.1 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 104.5 | 175 | -178 | 0 | 0 | 0 | 0 | 109.2 | T933 T934 V935 Q969 I982 V985 L1019 D1022 F1024 L1071 | T933-V967 HydrophobicContact CG2-CG1 3.98Å; T934-V967 CarbonylContact O-C 3.52Å; T934-V967 WeakPolarHBondContact O-CA 3.04Å; V935-V967 HydrophobicContact CG1-CG2 4.39Å; V935-V967 HydrophobicContact CG2-CG2 4.34Å; V967-Q969 HydrophobicContact CG1-CG 4.14Å; V967-I982 HydrophobicContact CG1-CB 4.16Å; V967-I982 HydrophobicContact CG1-CG1 4.19Å; V967-I982 HydrophobicContact CG1-CG2 4.31Å; V967-V985 HydrophobicContact CG2-CG2 3.66Å; V967-L1019 HydrophobicContact CB-CD1 4.46Å; V967-L1019 HydrophobicContact CB-CD2 4.16Å; V967-L1019 HydrophobicContact CG2-CD1 4.34Å; V967-L1019 HydrophobicContact CG2-CD2 3.88Å; V967-D1022 PolarHBondContact N-O 2.82Å; V967-D1022 VanDerWaalsContact O-CB 3.25Å; V967-D1022 WeakPolarHBondContact O-CB 3.4Å; V967-F1024 HydrophobicContact CG2-CD1 4.19Å; V967-F1024 HydrophobicContact CG2-CE1 3.92Å; V967-L1071 HydrophobicContact CG2-CD2 4.01Å |
| 968 | Q | 84.6 | Confident | 79.9 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.4 | 176.7 | -61.1 | -177.3 | -44.2 | 0 | 0 | 109.9 | E48 T933 T934 V966 | E48-Q968 PolarHBondContact O-NE2 2.89Å; E48-Q968 VanDerWaalsContact O-NE2 3.08Å; T933-Q968 CarbonylContact C-O 3.54Å; T933-Q968 WeakPolarHBondContact CA-O 3.43Å; T934-Q968 PolarHBondContact N-O 2.8Å; T934-Q968 PolarHBondContact O-N 2.84Å; V966-Q968 HydrophobicContact CG1-CG 4.09Å |
| 969 | Q | 87.6 | Confident | 80.3 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 21% | 0.21 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.7 | 175.3 | -55.8 | -167 | -91 | 0 | 0 | 110.7 | T932 T933 V967 L978 R980 | T932-Q969 CarbonylContact O-C 3.56Å; T932-Q969 WeakPolarHBondContact O-CA 3.4Å; T933-Q969 HydrophobicContact CG2-CG 3.94Å; V967-Q969 HydrophobicContact CG1-CG 4.14Å; Q969-L978 HydrophobicContact CB-CD1 3.99Å; Q969-L978 HydrophobicContact CB-CD2 3.7Å; Q969-R980 PolarHBondContact NE2-O 2.95Å |
| 970 | R | 82.8 | Confident | 80.6 | Confident | 136 Ų | 136 | 65.8 Ų | 65.8 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.7 | 177.6 | -64.7 | -179 | -176.9 | -161 | -5.1 | 110.1 | E48 Q931 T932 | E48-R970 IonicContact OE1-CZ 2.68Å; E48-R970 IonicContact OE1-NH1 2.79Å; E48-R970 IonicContact OE1-NH2 3Å; E48-R970 PolarHBondContact OE1-NH2 3.17Å; Q931-R970 CarbonylContact C-O 3.46Å; Q931-R970 VanDerWaalsContact CA-O 3.27Å; Q931-R970 WeakPolarHBondContact CA-O 3.43Å; T932-R970 PolarHBondContact N-O 2.68Å; T932-R970 PolarHBondContact O-N 3.01Å |
| 971 | S | 84 | Confident | 80.7 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.7 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 111 | L973 T977 | S971-L973 WeakPolarHBondContact OG-CB 3.31Å; S971-L973 PolarHBondContact OG-N 2.81Å; S971-L973 VanDerWaalsContact OG-N 3.11Å; S971-T977 VanDerWaalsContact CB-O 3.29Å; S971-T977 WeakPolarHBondContact CB-O 3.4Å; S971-T977 PolarHBondContact OG-O 2.97Å |
| 972 | R | 75.9 | Confident | 81 | Confident | 186 Ų | 186 | 68.3 Ų | 68.3 | 70% | 0.702 | 32% | 0.32 | S | S | * | . | trans | -96 | 7.7 | 168.4 | -64.3 | -175 | 176.9 | -173.9 | -2.2 | 112.6 | L930 | L930-R972 PolarHBondContact O-N 3.25Š| ||
| 973 | L | 73.7 | Confident | 81.3 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 29% | 0.293 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -80.2 | 147.8 | 177.8 | -62.2 | 172.1 | 0 | 0 | 0 | 110.8 | L930 S971 K975 Q976 T977 L979 | L930-L973 HydrophobicContact CD1-CD2 4.42Å; S971-L973 WeakPolarHBondContact OG-CB 3.31Å; S971-L973 PolarHBondContact OG-N 2.81Å; S971-L973 VanDerWaalsContact OG-N 3.11Å; L973-K975 VanDerWaalsContact C-N 3.31Å; L973-K975 PolarHBondContact O-N 3.2Å; L973-Q976 PolarHBondContact O-N 3.41Å; L973-Q976 VanDerWaalsContact O-N 3.07Å; L973-T977 WeakPolarHBondContact CD1-O 3.39Å; L973-L979 HydrophobicContact CD1-CD2 3.92Å; L973-L979 HydrophobicContact CD1-CG 4.25Å |
| 974 | T | 59.3 | Low | 81.5 | Confident | 149 Ų | 149 | 67.4 Ų | 67.4 | 91% | 0.914 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35.6 | -173 | 44.9 | 0 | 0 | 0 | 0 | 114 | Q976 | T974-Q976 VanDerWaalsContact C-N 3.3Å; T974-Q976 PolarHBondContact O-N 3.46Å |
| 975 | K | 63.5 | Low | 81.8 | Confident | 175 Ų | 175 | 65.9 Ų | 65.9 | 76% | 0.761 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.9 | 179.2 | -64.8 | -170.1 | 176.1 | -174.9 | 0 | 114.1 | L973 T977 | L973-K975 VanDerWaalsContact C-N 3.31Å; L973-K975 PolarHBondContact O-N 3.2Å; K975-T977 HydrophobicContact CB-CG2 3.76Å; K975-T977 PolarHBondContact O-N 3.02Å |
| 976 | Q | 61.2 | Low | 82.3 | Confident | 167 Ų | 167 | 66.9 Ų | 66.9 | 78% | 0.78 | 32% | 0.317 | S | S | * | . | trans | 52.5 | 16.4 | -169.8 | -61.3 | -177.8 | -14.3 | 0 | 0 | 114 | L973 T974 | L973-Q976 PolarHBondContact O-N 3.41Å; L973-Q976 VanDerWaalsContact O-N 3.07Å; T974-Q976 VanDerWaalsContact C-N 3.3Å; T974-Q976 PolarHBondContact O-N 3.46Å | ||
| 977 | T | 75.4 | Confident | 82.7 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | trans | -68.7 | 134.1 | 175.4 | 50 | 0 | 0 | 0 | 0 | 108.8 | S971 L973 K975 | S971-T977 VanDerWaalsContact CB-O 3.29Å; S971-T977 WeakPolarHBondContact CB-O 3.4Å; S971-T977 PolarHBondContact OG-O 2.97Å; L973-T977 WeakPolarHBondContact CD1-O 3.39Å; K975-T977 HydrophobicContact CB-CG2 3.76Å; K975-T977 PolarHBondContact O-N 3.02Å | ||
| 978 | L | 83.1 | Confident | 82.8 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | trans | -80.4 | 143.8 | 172.1 | -64.9 | 167.2 | 0 | 0 | 0 | 108.6 | Q931 Q969 R980 R981 | Q931-L978 HydrophobicContact CG-CD2 4.24Å; Q969-L978 HydrophobicContact CB-CD1 3.99Å; Q969-L978 HydrophobicContact CB-CD2 3.7Å; L978-R980 VanDerWaalsContact C-N 3.31Å; L978-R981 HydrophobicContact CD1-CB 4.41Å; L978-R981 HydrophobicContact CD1-CG 4.42Å | ||
| 979 | L | 83.4 | Confident | 83.1 | Confident | 65 Ų | 65 | 67 Ų | 67 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -64.2 | -39.9 | 169.9 | -69.1 | 174.7 | 0 | 0 | 0 | 111 | L930 Q931 L973 | L930-L979 HydrophobicContact CB-CD1 4.04Å; Q931-L979 HydrophobicContact CB-CD1 4.17Å; Q931-L979 HydrophobicContact CB-CG 4.49Å; L973-L979 HydrophobicContact CD1-CD2 3.92Å; L973-L979 HydrophobicContact CD1-CG 4.25Å |
| 980 | R | 88.8 | Confident | 83.2 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -144.3 | 128.8 | 174.9 | -81.9 | 176.9 | -75.7 | -98.6 | -2.5 | 109.4 | L819 A821 H826 Q931 Q969 L978 D1073 W1079 | L819-R980 HydrophobicContact CD1-CB 4.17Å; L819-R980 VanDerWaalsContact O-CZ 3.26Å; L819-R980 PolarHBondContact O-NE 2.84Å; L819-R980 PolarHBondContact O-NH2 3.41Å; A821-R980 PolarHBondContact O-NH2 2.88Å; H826-R980 PolarHBondContact CD2-NH1 3.48Å; H826-R980 PolarHBondContact NE2-NH1 3.18Å; H826-R980 PolarHBondContact NE2-NH2 2.89Å; Q931-R980 PolarHBondContact NE2-O 3.42Å; Q969-R980 PolarHBondContact NE2-O 2.95Å; L978-R980 VanDerWaalsContact C-N 3.31Å; R980-D1073 HydrophobicContact CB-CB 4.39Å; R980-D1073 WeakPolarHBondContact CD-OD2 3.48Å; R980-W1079 VanDerWaalsContact CD-CZ2 3.45Å |
| 981 | R | 89.3 | Confident | 83.4 | Confident | 139 Ų | 139 | 60.7 Ų | 60.7 | 53% | 0.525 | 30% | 0.296 | S | S | . | . | trans | -97.9 | 132.1 | 179.6 | -179.8 | 177.8 | -67.8 | -85.7 | 1.2 | 109.1 | L978 D1073 D1074 | L978-R981 HydrophobicContact CD1-CB 4.41Å; L978-R981 HydrophobicContact CD1-CG 4.42Å; R981-D1073 CarbonylContact O-C 3.57Å; R981-D1073 WeakPolarHBondContact O-CA 3.42Å; R981-D1074 HydrophobicContact CB-CB 4.39Å; R981-D1074 PolarHBondContact N-OD1 3.44Å; R981-D1074 PolarHBondContact O-N 3.02Å | ||
| 982 | I | 92.2 | Very high | 83.5 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.5 | 175.1 | -56.4 | -50.3 | 0 | 0 | 0 | 109.2 | L819 T933 V967 A984 L1019 L1071 I1072 D1073 | L819-I982 HydrophobicContact CD1-CD1 3.81Å; L819-I982 HydrophobicContact CD2-CD1 3.88Å; L819-I982 HydrophobicContact CD2-CG1 4.38Å; T933-I982 HydrophobicContact CG2-CG1 4.31Å; V967-I982 HydrophobicContact CG1-CB 4.16Å; V967-I982 HydrophobicContact CG1-CG1 4.19Å; V967-I982 HydrophobicContact CG1-CG2 4.31Å; I982-A984 WeakPolarHBondContact CG2-O 3.27Å; I982-L1019 HydrophobicContact CB-CD1 3.91Å; I982-L1019 HydrophobicContact CG2-CD1 3.42Å; I982-L1019 VanDerWaalsContact CG2-CD1 3.42Å; I982-L1019 VanDerWaalsContact O-CD1 3.32Å; I982-L1019 WeakPolarHBondContact O-CD1 3.23Å; I982-L1071 HydrophobicContact CD1-CB 4.05Å; I982-L1071 HydrophobicContact CD1-CD1 4.39Å; I982-L1071 HydrophobicContact CG1-CB 4.47Å; I982-L1071 HydrophobicContact CG1-CD1 4.23Å; I982-L1071 HydrophobicContact CG2-CB 4.31Å; I982-L1071 HydrophobicContact CG2-CD2 4.03Å; I982-I1072 WeakPolarHBondContact CA-O 3.35Å; I982-I1072 WeakPolarHBondContact CG2-O 3.31Å; I982-D1073 HydrophobicContact CD1-CB 4.14Å |
| 983 | T | 91.9 | Very high | 83.9 | Confident | 52 Ų | 52 | 55 Ų | 55 | 32% | 0.319 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -29.4 | -179.3 | 58 | 0 | 0 | 0 | 0 | 112.2 | Q1018 L1019 I1072 D1073 D1074 | T983-Q1018 PolarHBondContact O-OE1 3.19Å; T983-L1019 WeakPolarHBondContact O-CB 3.16Å; T983-L1019 PolarHBondContact O-N 3.21Å; T983-I1072 PolarHBondContact N-O 2.66Å; T983-I1072 PolarHBondContact OG1-O 2.93Å; T983-D1073 PolarHBondContact OG1-O 3.09Å; T983-D1073 VanDerWaalsContact OG1-O 3.1Å; T983-D1074 HydrophobicContact CG2-CB 3.84Å |
| 984 | A | 93.1 | Very high | 84 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 162.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I982 T1016 A1017 I1072 | I982-A984 WeakPolarHBondContact CG2-O 3.27Å; A984-T1016 HydrophobicContact CB-CG2 3.99Å; A984-A1017 WeakPolarHBondContact CA-O 3.37Å; A984-A1017 WeakPolarHBondContact CB-O 3.45Å; A984-I1072 HydrophobicContact CB-CB 4.19Å; A984-I1072 HydrophobicContact CB-CD1 4.16Å; A984-I1072 PolarHBondContact N-O 3.32Å; A984-I1072 PolarHBondContact O-N 3.27Å |
| 985 | V | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.9 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | V967 I987 A1017 L1019 F1024 P1069 L1071 | V967-V985 HydrophobicContact CG2-CG2 3.66Å; V985-I987 HydrophobicContact CG1-CD1 3.62Å; V985-I987 HydrophobicContact CG1-CG1 4.32Å; V985-A1017 PolarHBondContact N-O 3.2Å; V985-A1017 PolarHBondContact O-N 3.28Å; V985-L1019 HydrophobicContact CG2-CD2 4.44Å; V985-L1019 HydrophobicContact CG2-CG 4.4Å; V985-F1024 HydrophobicContact CB-CD1 4.17Å; V985-F1024 HydrophobicContact CB-CD2 4.29Å; V985-F1024 HydrophobicContact CB-CE1 4.07Å; V985-F1024 HydrophobicContact CB-CE2 4.22Å; V985-F1024 HydrophobicContact CB-CG 4.25Å; V985-F1024 HydrophobicContact CB-CZ 4.06Å; V985-F1024 HydrophobicContact CG1-CE1 4.16Å; V985-F1024 HydrophobicContact CG1-CE2 4.11Å; V985-F1024 HydrophobicContact CG1-CZ 3.79Å; V985-F1024 HydrophobicContact CG2-CD1 3.67Å; V985-F1024 HydrophobicContact CG2-CE1 3.64Å; V985-F1024 HydrophobicContact CG2-CG 4.18Å; V985-F1024 HydrophobicContact CG2-CZ 4.13Å; V985-P1069 HydrophobicContact CG1-CB 3.91Å; V985-L1071 HydrophobicContact CB-CD2 4.37Å; V985-L1071 HydrophobicContact CG1-CD2 4.1Å; V985-L1071 HydrophobicContact CG2-CD2 3.63Å |
| 986 | Q | 93.9 | Very high | 84.5 | Confident | 21 Ų | 21 | 44 Ų | 44 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115 | 169.5 | 177 | 166 | 89.5 | 0 | 0 | 109.3 | K1014 K1015 T1016 I1070 I1072 | Q986-K1014 HydrophobicContact CG-CB 4.44Å; Q986-K1015 WeakPolarHBondContact CA-O 3.31Å; Q986-T1016 PolarHBondContact NE2-OG1 3.02Å; Q986-T1016 VanDerWaalsContact NE2-OG1 3.17Å; Q986-I1070 HydrophobicContact CB-CB 4.3Å; Q986-I1070 PolarHBondContact N-O 3.01Å; Q986-I1070 PolarHBondContact O-N 3.15Å; Q986-I1072 HydrophobicContact CB-CD1 4.32Å |
| 987 | I | 92.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.4 | 176.5 | -59.3 | -58.7 | 0 | 0 | 0 | 108.9 | L937 V963 V985 I989 K1014 K1015 F1024 F1028 A1067 P1069 | L937-I987 HydrophobicContact CD1-CD1 4.45Å; L937-I987 HydrophobicContact CD2-CD1 3.82Å; V963-I987 HydrophobicContact CB-CG2 4.49Å; V963-I987 HydrophobicContact CG1-CD1 4.33Å; V963-I987 HydrophobicContact CG1-CG1 4.16Å; V963-I987 HydrophobicContact CG1-CG2 4.1Å; V963-I987 HydrophobicContact CG2-CG2 4.22Å; V985-I987 HydrophobicContact CG1-CD1 3.62Å; V985-I987 HydrophobicContact CG1-CG1 4.32Å; I987-I989 HydrophobicContact CG2-CG1 4.22Å; I987-K1014 CarbonylContact O-C 3.59Å; I987-K1014 WeakPolarHBondContact O-CA 3.39Å; I987-K1015 PolarHBondContact N-O 3.48Å; I987-K1015 PolarHBondContact O-N 3.14Å; I987-F1024 HydrophobicContact CD1-CE2 3.68Å; I987-F1024 HydrophobicContact CD1-CZ 4.01Å; I987-F1024 HydrophobicContact CG1-CE2 3.9Å; I987-F1028 HydrophobicContact CB-CE2 4.13Å; I987-F1028 HydrophobicContact CB-CZ 3.87Å; I987-F1028 HydrophobicContact CG2-CE2 3.78Å; I987-F1028 HydrophobicContact CG2-CZ 3.76Å; I987-A1067 HydrophobicContact CG2-CB 4.34Å; I987-P1069 HydrophobicContact CD1-CB 3.75Å |
| 988 | I | 90.9 | Very high | 83.7 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 18% | 0.179 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.9 | 170.2 | -57.6 | -177.4 | 0 | 0 | 0 | 107.8 | T1013 K1014 A1067 H1068 I1070 | I988-T1013 CarbonylContact C-O 3.48Å; I988-T1013 WeakPolarHBondContact CA-O 3.35Å; I988-K1014 HydrophobicContact CG1-CB 4.02Å; I988-A1067 WeakPolarHBondContact O-CA 3.07Å; I988-H1068 PolarHBondContact N-O 3.4Å; I988-H1068 PolarHBondContact O-N 2.94Å; I988-I1070 HydrophobicContact CD1-CD1 3.45Å; I988-I1070 VanDerWaalsContact CD1-CD1 3.45Å; I988-I1070 HydrophobicContact CD1-CG1 4.24Å; I988-I1070 HydrophobicContact CG1-CD1 4.29Å |
| 989 | I | 90.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124 | 170.4 | -66.2 | -163.6 | 0 | 0 | 0 | 108.9 | V961 V963 I987 V991 S1012 T1013 F1028 I1030 I1065 H1066 A1067 | V961-I989 HydrophobicContact CG1-CD1 4.25Å; V963-I989 HydrophobicContact CG2-CD1 4Å; I987-I989 HydrophobicContact CG2-CG1 4.22Å; I989-V991 HydrophobicContact CG2-CG2 4.17Å; I989-S1012 CarbonylContact O-C 3.47Å; I989-S1012 VanDerWaalsContact O-CA 3.27Å; I989-S1012 WeakPolarHBondContact O-CA 3.32Å; I989-T1013 HydrophobicContact CB-CG2 3.98Å; I989-T1013 PolarHBondContact N-O 3.38Å; I989-T1013 PolarHBondContact O-N 3.42Å; I989-F1028 HydrophobicContact CD1-CB 3.72Å; I989-F1028 HydrophobicContact CD1-CD1 3.94Å; I989-F1028 HydrophobicContact CD1-CD2 3.25Å; I989-F1028 HydrophobicContact CD1-CE1 4.31Å; I989-F1028 HydrophobicContact CD1-CE2 3.69Å; I989-F1028 HydrophobicContact CD1-CG 3.37Å; I989-F1028 HydrophobicContact CD1-CZ 4.19Å; I989-F1028 HydrophobicContact CG1-CD1 4.2Å; I989-F1028 HydrophobicContact CG1-CD2 4Å; I989-F1028 HydrophobicContact CG1-CE1 4.15Å; I989-F1028 HydrophobicContact CG1-CE2 3.95Å; I989-F1028 HydrophobicContact CG1-CG 4.1Å; I989-F1028 HydrophobicContact CG1-CZ 4.01Å; I989-I1030 HydrophobicContact CG2-CD1 3.93Å; I989-I1065 HydrophobicContact CG2-CG2 3.7Å; I989-H1066 CarbonylContact C-O 3.52Å; I989-H1066 WeakPolarHBondContact CA-O 3.48Å; I989-A1067 HydrophobicContact CG1-CB 4.43Å |
| 990 | N | 88.9 | Confident | 81 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.6 | 170.9 | -65.4 | -33.8 | 0 | 0 | 0 | 109.4 | S1012 H1066 | N990-S1012 WeakPolarHBondContact OD1-CB 3.15Å; N990-S1012 PolarHBondContact OD1-OG 2.87Å; N990-H1066 PolarHBondContact N-O 3.42Å; N990-H1066 PolarHBondContact O-N 2.71Å |
| 991 | V | 88 | Confident | 79.2 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.9 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | I989 I1010 F1011 I1030 F1032 F1063 C1064 I1065 | I989-V991 HydrophobicContact CG2-CG2 4.17Å; V991-I1010 PolarHBondContact O-N 3.42Å; V991-F1011 HydrophobicContact CB-CB 4.12Å; V991-F1011 HydrophobicContact CG2-CB 4.37Å; V991-F1011 HydrophobicContact CG2-CD1 3.85Å; V991-F1011 PolarHBondContact N-O 3.27Å; V991-F1011 PolarHBondContact O-N 3.5Å; V991-I1030 HydrophobicContact CG2-CD1 4.1Å; V991-I1030 HydrophobicContact CG2-CG2 3.83Å; V991-F1032 HydrophobicContact CG1-CD1 4.36Å; V991-F1032 HydrophobicContact CG1-CE1 4.04Å; V991-F1063 HydrophobicContact CG1-CB 4.07Å; V991-F1063 HydrophobicContact CG1-CD1 4.19Å; V991-F1063 HydrophobicContact CG1-CG 4.44Å; V991-C1064 WeakPolarHBondContact CA-O 3.2Å; V991-I1065 HydrophobicContact CG2-CG1 4.27Å |
| 992 | N | 85.6 | Confident | 77.4 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134 | -176.5 | -62.2 | -17.6 | 0 | 0 | 0 | 108.9 | L1007 C1009 F1063 C1064 | N992-L1007 HydrophobicContact CB-CB 3.74Å; N992-L1007 HydrophobicContact CB-CD1 3.91Å; N992-L1007 HydrophobicContact CB-CG 4.48Å; N992-C1009 VanDerWaalsContact OD1-CA 3.28Å; N992-C1009 WeakPolarHBondContact OD1-CA 3.43Å; N992-F1063 CarbonylContact O-C 3.59Å; N992-F1063 VanDerWaalsContact O-CA 3.28Å; N992-F1063 WeakPolarHBondContact O-CA 3.44Å; N992-C1064 PolarHBondContact N-O 2.78Å; N992-C1064 PolarHBondContact O-N 3.23Å |
| 993 | E | 83.5 | Confident | 75.3 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 137.3 | 169.6 | 177.3 | 173.5 | -157 | 0 | 0 | 110.2 | I1010 R1061 F1063 | E993-I1010 HydrophobicContact CB-CD1 3.33Å; E993-R1061 IonicContact OE1-CZ 3.02Å; E993-R1061 VanDerWaalsContact OE1-CZ 3.29Å; E993-R1061 IonicContact OE1-NE 2.82Å; E993-R1061 PolarHBondContact OE1-NE 2.91Å; E993-R1061 IonicContact OE1-NH2 3.79Å; E993-R1061 PolarHBondContact OE1-NH2 3.42Å; E993-R1061 IonicContact OE2-CZ 3.13Å; E993-R1061 IonicContact OE2-NE 2.94Å; E993-R1061 IonicContact OE2-NH2 3.75Å; E993-R1061 PolarHBondContact OE2-NH2 3.32Å; E993-F1063 HydrophobicContact CB-CD1 3.92Å; E993-F1063 HydrophobicContact CB-CE1 3.9Å; E993-F1063 HydrophobicContact CG-CE1 4.27Å |
| 994 | I | 76.9 | Confident | 73.3 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.3 | -174.7 | -56.7 | -156.8 | 0 | 0 | 0 | 109 | T998 I999 F1004 L1007 I1062 C1064 L1093 | I994-T998 WeakPolarHBondContact CG2-OG1 3.4Å; I994-I999 HydrophobicContact CG2-CG1 4.15Å; I994-F1004 HydrophobicContact CD1-CD1 3.51Å; I994-F1004 HydrophobicContact CD1-CE1 3.48Å; I994-F1004 VanDerWaalsContact CD1-CE1 3.48Å; I994-L1007 HydrophobicContact CD1-CD1 3.78Å; I994-L1007 HydrophobicContact CG1-CD1 3.75Å; I994-I1062 PolarHBondContact N-O 2.93Å; I994-C1064 HydrophobicContact CD1-CB 3.22Å; I994-C1064 HydrophobicContact CG1-CB 3.86Å; I994-L1093 HydrophobicContact CD1-CD2 4.09Å |
| 995 | S | 68.8 | Low | 71.1 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | trans | -75.7 | 143.3 | 169.8 | 65.9 | 0 | 0 | 0 | 0 | 110 | E997 T998 | S995-E997 PolarHBondContact O-N 3Å; S995-T998 PolarHBondContact N-OG1 3.36Å; S995-T998 PolarHBondContact O-N 3.38Å; S995-T998 PolarHBondContact O-OG1 3.48Å; S995-T998 PolarHBondContact OG-OG1 2.96Å | ||
| 996 | P | 63.4 | Low | 69 | Low | 88 Ų | 88 | 71 Ų | 71 | 57% | 0.571 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27 | 178.1 | -24.4 | 31.6 | 0 | 0 | 0 | 113.8 | I1062 | P996-I1062 HydrophobicContact CG-CD1 4.32Š|
| 997 | E | 59.2 | Low | 67.2 | Low | 159 Ų | 159 | 71.9 Ų | 71.9 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -31.6 | 177.5 | -62.6 | 177.6 | 174 | 0 | 0 | 113.6 | S995 I999 K1000 | S995-E997 PolarHBondContact O-N 3Å; E997-I999 VanDerWaalsContact C-N 3.31Å; E997-I999 PolarHBondContact O-N 3.36Å; E997-K1000 PolarHBondContact O-N 2.9Å |
| 998 | T | 61.6 | Low | 66 | Low | 32 Ų | 32 | 78.8 Ų | 78.8 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -74.1 | -20.9 | -178.3 | 25.9 | 0 | 0 | 0 | 0 | 113.3 | I994 S995 K1000 T1001 N1002 | I994-T998 WeakPolarHBondContact CG2-OG1 3.4Å; S995-T998 PolarHBondContact N-OG1 3.36Å; S995-T998 PolarHBondContact O-N 3.38Å; S995-T998 PolarHBondContact O-OG1 3.48Å; S995-T998 PolarHBondContact OG-OG1 2.96Å; T998-K1000 PolarHBondContact O-N 3.09Å; T998-T1001 PolarHBondContact O-N 3.13Å; T998-T1001 VanDerWaalsContact O-N 3.16Å; T998-T1001 PolarHBondContact O-OG1 2.93Å; T998-N1002 PolarHBondContact O-N 3.21Å |
| 999 | I | 56.3 | Low | 65.1 | Low | 37 Ų | 37 | 80.4 Ų | 80.4 | 19% | 0.19 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -59.2 | -33.9 | 174.3 | -56 | 174.3 | 0 | 0 | 0 | 110.6 | I994 E997 T1001 I1062 L1093 | I994-I999 HydrophobicContact CG2-CG1 4.15Å; E997-I999 VanDerWaalsContact C-N 3.31Å; E997-I999 PolarHBondContact O-N 3.36Å; I999-T1001 VanDerWaalsContact C-N 3.35Å; I999-T1001 PolarHBondContact O-N 3.46Å; I999-I1062 HydrophobicContact CD1-CD1 3.91Å; I999-I1062 HydrophobicContact CD1-CG2 4.43Å; I999-L1093 HydrophobicContact CG2-CD1 4.43Å |
| 1000 | K | 52.6 | Low | 64.6 | Low | 192 Ų | 192 | 83.7 Ų | 83.7 | 84% | 0.835 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -74.1 | -22.8 | -179.2 | -66.8 | -177.2 | -179.1 | 175.6 | 0 | 114 | E997 T998 | E997-K1000 PolarHBondContact O-N 2.9Å; T998-K1000 PolarHBondContact O-N 3.09Å |
| 1001 | T | 51.3 | Low | 64.2 | Low | 80 Ų | 80 | 84.5 Ų | 84.5 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -10.2 | -172.8 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | T998 I999 Q1003 | T998-T1001 PolarHBondContact O-N 3.13Å; T998-T1001 VanDerWaalsContact O-N 3.16Å; T998-T1001 PolarHBondContact O-OG1 2.93Å; I999-T1001 VanDerWaalsContact C-N 3.35Å; I999-T1001 PolarHBondContact O-N 3.46Å; T1001-Q1003 PolarHBondContact O-N 3.42Å |
| 1002 | N | 51.8 | Low | 64.2 | Low | 105 Ų | 105 | 87.9 Ų | 87.9 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 20.9 | -176.5 | -83.3 | -12.1 | 0 | 0 | 0 | 114.7 | T998 F1004 | T998-N1002 PolarHBondContact O-N 3.21Å; N1002-F1004 HydrophobicContact CB-CE2 4.33Å; N1002-F1004 PolarHBondContact O-N 3.12Å |
| 1003 | Q | 48.4 | Very low | 64.5 | Low | 140 Ų | 140 | 88.8 Ų | 88.8 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | trans | -97.4 | 77.1 | -179.7 | -72.5 | -178 | 8.6 | 0 | 0 | 110.7 | T1001 T1005 | T1001-Q1003 PolarHBondContact O-N 3.42Å; Q1003-T1005 PolarHBondContact O-N 3.34Å | ||
| 1004 | F | 50.1 | Low | 64.9 | Low | 72 Ų | 72 | 91.9 Ų | 91.9 | 32% | 0.316 | 48% | 0.479 | S | S | . | . | trans | -79.2 | 5.2 | -178.3 | -57.5 | -73.3 | 0 | 0 | 0 | 114.6 | I994 N1002 K1006 L1007 | I994-F1004 HydrophobicContact CD1-CD1 3.51Å; I994-F1004 HydrophobicContact CD1-CE1 3.48Å; I994-F1004 VanDerWaalsContact CD1-CE1 3.48Å; N1002-F1004 HydrophobicContact CB-CE2 4.33Å; N1002-F1004 PolarHBondContact O-N 3.12Å; F1004-K1006 PolarHBondContact O-N 3.28Å; F1004-L1007 HydrophobicContact CB-CD1 4.21Å; F1004-L1007 HydrophobicContact CD1-CD1 4.12Å | ||
| 1005 | T | 46.7 | Very low | 65.7 | Low | 128 Ų | 128 | 96.2 Ų | 96.2 | 79% | 0.785 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.3 | -161 | 53.7 | 0 | 0 | 0 | 0 | 116.5 | Q1003 | Q1003-T1005 PolarHBondContact O-N 3.34Š|
| 1006 | K | 49 | Very low | 66.8 | Low | 194 Ų | 194 | 96.7 Ų | 96.7 | 84% | 0.843 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.4 | 48.5 | -179 | -79.9 | -172.2 | 176.5 | 178.5 | 0 | 112.7 | F1004 | F1004-K1006 PolarHBondContact O-N 3.28Š|
| 1007 | L | 56.4 | Low | 68.2 | Low | 40 Ų | 40 | 92.8 Ų | 92.8 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 139.1 | 176.1 | -58.9 | 168 | 0 | 0 | 0 | 110 | N992 I994 F1004 C1009 | N992-L1007 HydrophobicContact CB-CB 3.74Å; N992-L1007 HydrophobicContact CB-CD1 3.91Å; N992-L1007 HydrophobicContact CB-CG 4.48Å; I994-L1007 HydrophobicContact CD1-CD1 3.78Å; I994-L1007 HydrophobicContact CG1-CD1 3.75Å; F1004-L1007 HydrophobicContact CB-CD1 4.21Å; F1004-L1007 HydrophobicContact CD1-CD1 4.12Å; L1007-C1009 PolarHBondContact O-N 3.1Å |
| 1008 | N | 65.6 | Low | 69.7 | Low | 146 Ų | 146 | 91.5 Ų | 91.5 | 78% | 0.781 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 117.7 | 172.7 | -76.4 | -18.5 | 0 | 0 | 0 | 108.4 | I1010 | N1008-I1010 PolarHBondContact O-N 3.08Š|
| 1009 | C | 72.8 | Confident | 70.8 | Confident | 69 Ų | 69 | 91.3 Ų | 91.3 | 47% | 0.466 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 120 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | N992 L1007 F1011 | N992-C1009 VanDerWaalsContact OD1-CA 3.28Å; N992-C1009 WeakPolarHBondContact OD1-CA 3.43Å; L1007-C1009 PolarHBondContact O-N 3.1Å; C1009-F1011 PolarHBondContact SG-O 2.7Å; C1009-F1011 VanDerWaalsContact SG-O 3.36Å |
| 1010 | I | 79.7 | Confident | 71.8 | Confident | 68 Ų | 68 | 97.9 Ų | 97.9 | 35% | 0.349 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -33.8 | -177 | -60.9 | 167.6 | 0 | 0 | 0 | 110.7 | V991 E993 N1008 P1033 F1063 | V991-I1010 PolarHBondContact O-N 3.42Å; E993-I1010 HydrophobicContact CB-CD1 3.33Å; N1008-I1010 PolarHBondContact O-N 3.08Å; I1010-P1033 HydrophobicContact CG2-CB 4.36Å; I1010-P1033 HydrophobicContact CG2-CG 3.9Å; I1010-F1063 HydrophobicContact CD1-CD1 4.24Å; I1010-F1063 HydrophobicContact CD1-CE1 3.85Å |
| 1011 | F | 81.2 | Confident | 73 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 29% | 0.285 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 132.6 | -179.8 | 175 | -95.1 | 0 | 0 | 0 | 109.3 | V991 C1009 T1013 I1030 | V991-F1011 HydrophobicContact CB-CB 4.12Å; V991-F1011 HydrophobicContact CG2-CB 4.37Å; V991-F1011 HydrophobicContact CG2-CD1 3.85Å; V991-F1011 PolarHBondContact N-O 3.27Å; V991-F1011 PolarHBondContact O-N 3.5Å; C1009-F1011 PolarHBondContact SG-O 2.7Å; C1009-F1011 VanDerWaalsContact SG-O 3.36Å; F1011-T1013 HydrophobicContact CD1-CG2 4.47Å; F1011-T1013 HydrophobicContact CE1-CG2 3.48Å; F1011-T1013 VanDerWaalsContact CE1-CG2 3.48Å; F1011-T1013 HydrophobicContact CZ-CG2 3.87Å; F1011-I1030 HydrophobicContact CD1-CG2 4.34Å; F1011-I1030 HydrophobicContact CE1-CG1 4.3Å; F1011-I1030 HydrophobicContact CE1-CG2 4.47Å |
| 1012 | S | 87.5 | Confident | 74.2 | Confident | 72 Ų | 72 | 90.5 Ų | 90.5 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | I989 N990 | I989-S1012 CarbonylContact O-C 3.47Å; I989-S1012 VanDerWaalsContact O-CA 3.27Å; I989-S1012 WeakPolarHBondContact O-CA 3.32Å; N990-S1012 WeakPolarHBondContact OD1-CB 3.15Å; N990-S1012 PolarHBondContact OD1-OG 2.87Å |
| 1013 | T | 91.4 | Very high | 75.7 | Confident | 45 Ų | 45 | 87.5 Ų | 87.5 | 28% | 0.276 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155 | 176.2 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | I988 I989 F1011 F1028 | I988-T1013 CarbonylContact C-O 3.48Å; I988-T1013 WeakPolarHBondContact CA-O 3.35Å; I989-T1013 HydrophobicContact CB-CG2 3.98Å; I989-T1013 PolarHBondContact N-O 3.38Å; I989-T1013 PolarHBondContact O-N 3.42Å; F1011-T1013 HydrophobicContact CD1-CG2 4.47Å; F1011-T1013 HydrophobicContact CE1-CG2 3.48Å; F1011-T1013 VanDerWaalsContact CE1-CG2 3.48Å; F1011-T1013 HydrophobicContact CZ-CG2 3.87Å; T1013-F1028 HydrophobicContact CG2-CD1 3.49Å; T1013-F1028 VanDerWaalsContact CG2-CD1 3.49Å; T1013-F1028 HydrophobicContact CG2-CE1 3.87Å |
| 1014 | K | 92.3 | Very high | 77.6 | Confident | 136 Ų | 136 | 80.9 Ų | 80.9 | 59% | 0.591 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.6 | 178.2 | 67.6 | -177.3 | -178.1 | 178.2 | 0 | 111.5 | Q986 I987 I988 | Q986-K1014 HydrophobicContact CG-CB 4.44Å; I987-K1014 CarbonylContact O-C 3.59Å; I987-K1014 WeakPolarHBondContact O-CA 3.39Å; I988-K1014 HydrophobicContact CG1-CB 4.02Å |
| 1015 | K | 92.7 | Very high | 79.3 | Confident | 97 Ų | 97 | 81 Ų | 81 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136.3 | 177 | -169 | 166.9 | 174.3 | 174.4 | 0 | 109.7 | Q986 I987 C1026 E1027 F1028 | Q986-K1015 WeakPolarHBondContact CA-O 3.31Å; I987-K1015 PolarHBondContact N-O 3.48Å; I987-K1015 PolarHBondContact O-N 3.14Å; K1015-C1026 HydrophobicContact CD-CB 4.19Å; K1015-C1026 HydrophobicContact CG-CB 4.45Å; K1015-E1027 PolarHBondContact NZ-O 3.48Å; K1015-F1028 HydrophobicContact CB-CD1 4.44Å; K1015-F1028 HydrophobicContact CB-CE1 3.51Å; K1015-F1028 HydrophobicContact CB-CE2 4.47Å; K1015-F1028 HydrophobicContact CB-CZ 3.53Å |
| 1016 | T | 93.5 | Very high | 81.4 | Confident | 65 Ų | 65 | 75.2 Ų | 75.2 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.7 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | A984 Q986 I1072 | A984-T1016 HydrophobicContact CB-CG2 3.99Å; Q986-T1016 PolarHBondContact NE2-OG1 3.02Å; Q986-T1016 VanDerWaalsContact NE2-OG1 3.17Å; T1016-I1072 HydrophobicContact CG2-CD1 3.81Å |
| 1017 | A | 91.7 | Very high | 83.5 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A984 V985 F1024 C1026 | A984-A1017 WeakPolarHBondContact CA-O 3.37Å; A984-A1017 WeakPolarHBondContact CB-O 3.45Å; V985-A1017 PolarHBondContact N-O 3.2Å; V985-A1017 PolarHBondContact O-N 3.28Å; A1017-F1024 HydrophobicContact CB-CB 4.07Å; A1017-F1024 HydrophobicContact CB-CD2 4.09Å; A1017-F1024 HydrophobicContact CB-CG 4.48Å; A1017-C1026 HydrophobicContact CB-CB 4.09Å |
| 1018 | Q | 91.2 | Very high | 85.1 | Confident | 132 Ų | 132 | 67.9 Ų | 67.9 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 141.3 | 174.4 | -66.3 | -64.3 | -18.4 | 0 | 0 | 110.2 | T983 K1020 | T983-Q1018 PolarHBondContact O-OE1 3.19Å; Q1018-K1020 PolarHBondContact O-N 2.95Å |
| 1019 | L | 84.8 | Confident | 86.2 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | trans | -74.3 | 125.2 | 175.6 | -79.7 | 162.4 | 0 | 0 | 0 | 110.8 | V967 I982 T983 V985 F1024 | V967-L1019 HydrophobicContact CB-CD1 4.46Å; V967-L1019 HydrophobicContact CB-CD2 4.16Å; V967-L1019 HydrophobicContact CG2-CD1 4.34Å; V967-L1019 HydrophobicContact CG2-CD2 3.88Å; I982-L1019 HydrophobicContact CB-CD1 3.91Å; I982-L1019 HydrophobicContact CG2-CD1 3.42Å; I982-L1019 VanDerWaalsContact CG2-CD1 3.42Å; I982-L1019 VanDerWaalsContact O-CD1 3.32Å; I982-L1019 WeakPolarHBondContact O-CD1 3.23Å; T983-L1019 WeakPolarHBondContact O-CB 3.16Å; T983-L1019 PolarHBondContact O-N 3.21Å; V985-L1019 HydrophobicContact CG2-CD2 4.44Å; V985-L1019 HydrophobicContact CG2-CG 4.4Å; L1019-F1024 HydrophobicContact CD2-CB 4.24Å; L1019-F1024 HydrophobicContact CD2-CD1 3.9Å | ||
| 1020 | K | 77.7 | Confident | 86.9 | Confident | 176 Ų | 176 | 61 Ų | 61 | 77% | 0.765 | 32% | 0.324 | S | S | * | . | B | Isolated β-bridge | trans | -95.4 | 87.2 | 164.7 | -66.9 | -176.4 | -180 | -178.5 | 0 | 107.7 | Q1018 D1022 Y1023 | Q1018-K1020 PolarHBondContact O-N 2.95Å; K1020-D1022 PolarHBondContact O-N 3.43Å; K1020-Y1023 PolarHBondContact N-O 3.43Å; K1020-Y1023 PolarHBondContact O-N 2.64Å |
| 1021 | G | 76.3 | Confident | 86.9 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 74% | 0.742 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -112.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1022 | D | 78.4 | Confident | 86.8 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -0.1 | 173.5 | 59.2 | -26.5 | 0 | 0 | 0 | 112.4 | K91 V966 V967 K1020 | K91-D1022 VanDerWaalsContact CE-CG 3.48Å; K91-D1022 WeakPolarHBondContact CE-OD1 3.39Å; K91-D1022 WeakPolarHBondContact CE-OD2 3.48Å; K91-D1022 IonicContact NZ-OD1 3.55Å; K91-D1022 PolarHBondContact NZ-OD1 3.18Å; K91-D1022 IonicContact NZ-OD2 4Å; K91-D1022 PolarHBondContact NZ-OD2 3.4Å; V966-D1022 CarbonylContact C-O 3.47Å; V966-D1022 VanDerWaalsContact CA-O 3.22Å; V966-D1022 WeakPolarHBondContact CA-O 3.43Å; V966-D1022 HydrophobicContact CG1-CB 4.17Å; V966-D1022 WeakPolarHBondContact CG1-O 3.44Å; V966-D1022 WeakPolarHBondContact CG1-OD2 3.45Å; V967-D1022 PolarHBondContact N-O 2.82Å; V967-D1022 VanDerWaalsContact O-CB 3.25Å; V967-D1022 WeakPolarHBondContact O-CB 3.4Å; K1020-D1022 PolarHBondContact O-N 3.43Å |
| 1023 | Y | 82.4 | Confident | 86 | Confident | 41 Ų | 41 | 62 Ų | 62 | 16% | 0.161 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.5 | -177.9 | 171.7 | -97.9 | 0 | 0 | 0 | 112.3 | P53 M964 G965 V966 K1020 H1025 | P53-Y1023 HydrophobicContact CG-CD2 4.4Å; P53-Y1023 HydrophobicContact CG-CE2 4.28Å; M964-Y1023 HydrophobicContact CB-CE2 4.1Å; M964-Y1023 HydrophobicContact CG-CE2 4.39Å; M964-Y1023 WeakPolarHBondContact CG-OH 3.47Å; M964-Y1023 HydrophobicContact SD-CE2 4.42Å; M964-Y1023 PolarHBondContact SD-OH 2.7Å; G965-Y1023 WeakPolarHBondContact O-CA 3.47Å; G965-Y1023 VanDerWaalsContact O-CD2 3.29Å; G965-Y1023 WeakPolarHBondContact O-CD2 3.29Å; V966-Y1023 HydrophobicContact CG2-CD2 4.15Å; K1020-Y1023 PolarHBondContact N-O 3.43Å; K1020-Y1023 PolarHBondContact O-N 2.64Å; Y1023-H1025 HydrophobicContact CE1-CB 4.03Å |
| 1024 | F | 87.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.009 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.6 | 170.6 | 66.5 | -87.7 | 0 | 0 | 0 | 111.8 | V935 L937 M964 G965 V967 V985 I987 A1017 L1019 | V935-F1024 HydrophobicContact CG1-CE1 4.27Å; V935-F1024 HydrophobicContact CG1-CZ 4.32Å; L937-F1024 HydrophobicContact CD2-CE2 3.98Å; L937-F1024 HydrophobicContact CD2-CZ 3.45Å; L937-F1024 VanDerWaalsContact CD2-CZ 3.45Å; M964-F1024 WeakPolarHBondContact CA-O 3.33Å; G965-F1024 VanDerWaalsContact C-CE1 3.44Å; G965-F1024 PolarHBondContact N-O 2.82Å; G965-F1024 WeakPolarHBondContact O-CD1 3.38Å; G965-F1024 PolarHBondContact O-N 3.47Å; V967-F1024 HydrophobicContact CG2-CD1 4.19Å; V967-F1024 HydrophobicContact CG2-CE1 3.92Å; V985-F1024 HydrophobicContact CB-CD1 4.17Å; V985-F1024 HydrophobicContact CB-CD2 4.29Å; V985-F1024 HydrophobicContact CB-CE1 4.07Å; V985-F1024 HydrophobicContact CB-CE2 4.22Å; V985-F1024 HydrophobicContact CB-CG 4.25Å; V985-F1024 HydrophobicContact CB-CZ 4.06Å; V985-F1024 HydrophobicContact CG1-CE1 4.16Å; V985-F1024 HydrophobicContact CG1-CE2 4.11Å; V985-F1024 HydrophobicContact CG1-CZ 3.79Å; V985-F1024 HydrophobicContact CG2-CD1 3.67Å; V985-F1024 HydrophobicContact CG2-CE1 3.64Å; V985-F1024 HydrophobicContact CG2-CG 4.18Å; V985-F1024 HydrophobicContact CG2-CZ 4.13Å; I987-F1024 HydrophobicContact CD1-CE2 3.68Å; I987-F1024 HydrophobicContact CD1-CZ 4.01Å; I987-F1024 HydrophobicContact CG1-CE2 3.9Å; A1017-F1024 HydrophobicContact CB-CB 4.07Å; A1017-F1024 HydrophobicContact CB-CD2 4.09Å; A1017-F1024 HydrophobicContact CB-CG 4.48Å; L1019-F1024 HydrophobicContact CD2-CB 4.24Å; L1019-F1024 HydrophobicContact CD2-CD1 3.9Å |
| 1025 | H | 87.4 | Confident | 82.9 | Confident | 74 Ų | 74 | 62 Ų | 62 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 137.2 | 178.9 | 173.2 | 64.4 | 0 | 0 | 0 | 109.9 | V963 Y1023 E1027 | V963-H1025 WeakPolarHBondContact O-CA 3.29Å; Y1023-H1025 HydrophobicContact CE1-CB 4.03Å; H1025-E1027 IonicContact CE1-OE1 3.66Å; H1025-E1027 WeakPolarHBondContact NE2-CG 3.23Å; H1025-E1027 IonicContact NE2-OE1 2.81Å; H1025-E1027 PolarHBondContact NE2-OE1 3.16Å; H1025-E1027 VanDerWaalsContact NE2-OE1 3.15Å |
| 1026 | C | 90.5 | Very high | 80.8 | Confident | 7 Ų | 7 | 66 Ų | 66 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 154.3 | 168.1 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | V963 K1015 A1017 F1028 | V963-C1026 PolarHBondContact N-O 3.3Å; V963-C1026 PolarHBondContact O-N 2.76Å; K1015-C1026 HydrophobicContact CD-CB 4.19Å; K1015-C1026 HydrophobicContact CG-CB 4.45Å; A1017-C1026 HydrophobicContact CB-CB 4.09Å; C1026-F1028 HydrophobicContact CB-CE2 4.48Å; C1026-F1028 VanDerWaalsContact SG-CE2 3.53Å |
| 1027 | E | 91.9 | Very high | 78.4 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.3 | -177.8 | -48.5 | -172.2 | 153.5 | 0 | 0 | 110.8 | M960 V961 Q962 K1015 H1025 | M960-E1027 HydrophobicContact CE-CB 3.9Å; V961-E1027 WeakPolarHBondContact O-CA 3.44Å; Q962-E1027 HydrophobicContact CG-CG 4.07Å; Q962-E1027 PolarHBondContact NE2-OE1 2.86Å; K1015-E1027 PolarHBondContact NZ-O 3.48Å; H1025-E1027 IonicContact CE1-OE1 3.66Å; H1025-E1027 WeakPolarHBondContact NE2-CG 3.23Å; H1025-E1027 IonicContact NE2-OE1 2.81Å; H1025-E1027 PolarHBondContact NE2-OE1 3.16Å; H1025-E1027 VanDerWaalsContact NE2-OE1 3.15Å |
| 1028 | F | 91 | Very high | 75.8 | Confident | 9 Ų | 9 | 76.3 Ų | 76.3 | 4% | 0.039 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.2 | 179.8 | -65 | -92.9 | 0 | 0 | 0 | 110 | M960 V961 V963 I987 I989 T1013 K1015 C1026 | M960-F1028 WeakPolarHBondContact CA-O 3.48Å; V961-F1028 PolarHBondContact N-O 2.71Å; V961-F1028 PolarHBondContact O-N 3.39Å; V963-F1028 HydrophobicContact CB-CE2 4.32Å; V963-F1028 HydrophobicContact CG2-CD2 3.79Å; V963-F1028 HydrophobicContact CG2-CE2 3.72Å; I987-F1028 HydrophobicContact CB-CE2 4.13Å; I987-F1028 HydrophobicContact CB-CZ 3.87Å; I987-F1028 HydrophobicContact CG2-CE2 3.78Å; I987-F1028 HydrophobicContact CG2-CZ 3.76Å; I989-F1028 HydrophobicContact CD1-CB 3.72Å; I989-F1028 HydrophobicContact CD1-CD1 3.94Å; I989-F1028 HydrophobicContact CD1-CD2 3.25Å; I989-F1028 HydrophobicContact CD1-CE1 4.31Å; I989-F1028 HydrophobicContact CD1-CE2 3.69Å; I989-F1028 HydrophobicContact CD1-CG 3.37Å; I989-F1028 HydrophobicContact CD1-CZ 4.19Å; I989-F1028 HydrophobicContact CG1-CD1 4.2Å; I989-F1028 HydrophobicContact CG1-CD2 4Å; I989-F1028 HydrophobicContact CG1-CE1 4.15Å; I989-F1028 HydrophobicContact CG1-CE2 3.95Å; I989-F1028 HydrophobicContact CG1-CG 4.1Å; I989-F1028 HydrophobicContact CG1-CZ 4.01Å; T1013-F1028 HydrophobicContact CG2-CD1 3.49Å; T1013-F1028 VanDerWaalsContact CG2-CD1 3.49Å; T1013-F1028 HydrophobicContact CG2-CE1 3.87Å; K1015-F1028 HydrophobicContact CB-CD1 4.44Å; K1015-F1028 HydrophobicContact CB-CE1 3.51Å; K1015-F1028 HydrophobicContact CB-CE2 4.47Å; K1015-F1028 HydrophobicContact CB-CZ 3.53Å; C1026-F1028 HydrophobicContact CB-CE2 4.48Å; C1026-F1028 VanDerWaalsContact SG-CE2 3.53Å |
| 1029 | C | 88.7 | Confident | 72.9 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 49% | 0.486 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.8 | 172.4 | -172.2 | 0 | 0 | 0 | 0 | 107.9 | C958 M960 | C958-C1029 WeakPolarHBondContact CB-SG 3.41Å; M960-C1029 HydrophobicContact SD-CB 3.63Å |
| 1030 | I | 86.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.7 | -175 | -59 | 178.7 | 0 | 0 | 0 | 109.2 | C958 H959 V961 I989 V991 F1011 F1032 I1065 | C958-I1030 CarbonylContact C-O 3.51Å; C958-I1030 WeakPolarHBondContact CA-O 3.35Å; H959-I1030 PolarHBondContact N-O 3.48Å; H959-I1030 PolarHBondContact O-N 2.75Å; V961-I1030 HydrophobicContact CB-CD1 4.25Å; V961-I1030 HydrophobicContact CG2-CD1 3.58Å; V961-I1030 HydrophobicContact CG2-CG1 4.29Å; I989-I1030 HydrophobicContact CG2-CD1 3.93Å; V991-I1030 HydrophobicContact CG2-CD1 4.1Å; V991-I1030 HydrophobicContact CG2-CG2 3.83Å; F1011-I1030 HydrophobicContact CD1-CG2 4.34Å; F1011-I1030 HydrophobicContact CE1-CG1 4.3Å; F1011-I1030 HydrophobicContact CE1-CG2 4.47Å; I1030-F1032 HydrophobicContact CG2-CE1 4.09Å; I1030-F1032 HydrophobicContact CG2-CE2 4.32Å; I1030-F1032 HydrophobicContact CG2-CZ 3.97Å; I1030-I1065 HydrophobicContact CD1-CD1 3.79Å; I1030-I1065 HydrophobicContact CD1-CG1 4.07Å; I1030-I1065 HydrophobicContact CD1-CG2 3.76Å |
| 1031 | R | 79.6 | Confident | 68.7 | Low | 166 Ų | 166 | 79.9 Ų | 79.9 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | trans | -108.3 | 125.1 | 173.4 | -169.1 | 173 | -176.5 | 169.9 | 1.1 | 109.7 | ||||
| 1032 | F | 80.6 | Confident | 66.5 | Low | 14 Ų | 14 | 87 Ų | 87 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 144.2 | 178 | -59.7 | -80.8 | 0 | 0 | 0 | 110.6 | I953 H959 V991 I1030 Q1034 F1063 I1065 V1094 V1096 | I953-F1032 HydrophobicContact CD1-CE2 4.36Å; H959-F1032 HydrophobicContact CB-CE2 3.93Å; V991-F1032 HydrophobicContact CG1-CD1 4.36Å; V991-F1032 HydrophobicContact CG1-CE1 4.04Å; I1030-F1032 HydrophobicContact CG2-CE1 4.09Å; I1030-F1032 HydrophobicContact CG2-CE2 4.32Å; I1030-F1032 HydrophobicContact CG2-CZ 3.97Å; F1032-Q1034 PolarHBondContact O-N 3.16Å; F1032-F1063 HydrophobicContact CB-CE2 4.32Å; F1032-F1063 HydrophobicContact CB-CZ 4.48Å; F1032-F1063 HydrophobicContact CD1-CB 4.2Å; F1032-F1063 HydrophobicContact CD1-CD1 4.16Å; F1032-F1063 AromaticContact CD1-CD2 3.62Å; F1032-F1063 HydrophobicContact CD1-CD2 3.62Å; F1032-F1063 HydrophobicContact CD1-CE1 4.46Å; F1032-F1063 AromaticContact CD1-CE2 3.96Å; F1032-F1063 HydrophobicContact CD1-CE2 3.96Å; F1032-F1063 AromaticContact CD1-CG 3.72Å; F1032-F1063 HydrophobicContact CD1-CG 3.72Å; F1032-F1063 HydrophobicContact CD1-CZ 4.37Å; F1032-F1063 HydrophobicContact CE1-CB 3.89Å; F1032-F1063 HydrophobicContact CE1-CD2 4.03Å; F1032-F1063 AromaticContact CE1-CG 3.94Å; F1032-F1063 HydrophobicContact CE1-CG 3.94Å; F1032-F1063 HydrophobicContact CG-CD2 4.41Å; F1032-F1063 HydrophobicContact CG-CE2 4.41Å; F1032-I1065 HydrophobicContact CZ-CD1 4.29Å; F1032-V1094 HydrophobicContact CE1-CG1 4.32Å; F1032-V1094 HydrophobicContact CE2-CG1 4.34Å; F1032-V1094 HydrophobicContact CZ-CB 4.41Å; F1032-V1094 HydrophobicContact CZ-CG1 3.81Å; F1032-V1096 HydrophobicContact CB-CG2 4.1Å; F1032-V1096 HydrophobicContact CD1-CG2 4.03Å; F1032-V1096 HydrophobicContact CD2-CG2 3.81Å; F1032-V1096 HydrophobicContact CE1-CG2 4.44Å; F1032-V1096 HydrophobicContact CE2-CG2 4.24Å; F1032-V1096 HydrophobicContact CG-CG2 3.7Å |
| 1033 | P | 70.1 | Confident | 64.2 | Low | 46 Ų | 46 | 90 Ų | 90 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -66 | 130.2 | -179.9 | 30 | -39.5 | 0 | 0 | 0 | 111.8 | I1010 R1061 F1063 | I1010-P1033 HydrophobicContact CG2-CB 4.36Å; I1010-P1033 HydrophobicContact CG2-CG 3.9Å; P1033-R1061 PolarHBondContact O-NH1 2.91Å; P1033-F1063 HydrophobicContact CG-CE1 3.98Å; P1033-F1063 HydrophobicContact CG-CZ 4.02Å |
| 1034 | Q | 63.7 | Low | 61.7 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 148.2 | 174 | -68 | 179.1 | -20.7 | 0 | 0 | 110.7 | F1032 E1036 | F1032-Q1034 PolarHBondContact O-N 3.16Å; Q1034-E1036 PolarHBondContact O-N 2.91Å |
| 1035 | S | 55.6 | Low | 58.9 | Low | 67 Ų | 67 | 99 Ų | 99 | 47% | 0.469 | 54% | 0.535 | S | S | . | . | trans | -69 | 111.6 | 175.5 | -163.4 | 0 | 0 | 0 | 0 | 109 | L1037 Q1058 | S1035-L1037 PolarHBondContact O-N 3.17Å; S1035-Q1058 PolarHBondContact OG-NE2 3.19Å | ||
| 1036 | E | 47.5 | Very low | 56.2 | Low | 181 Ų | 181 | 102 Ų | 102 | 85% | 0.846 | 56% | 0.558 | S | S | * | * | trans | -64.8 | 105.1 | 175.9 | -69 | -177.8 | -178.5 | 0 | 0 | 109.1 | Q1034 N1038 | Q1034-E1036 PolarHBondContact O-N 2.91Å; E1036-N1038 PolarHBondContact O-N 2.91Å; E1036-N1038 VanDerWaalsContact O-N 3.08Å | ||
| 1037 | L | 43.3 | Very low | 53.3 | Low | 155 Ų | 155 | 110.1 Ų | 110.1 | 81% | 0.812 | 60% | 0.595 | S | S | * | * | trans | -68 | 106.6 | 170.9 | -156.1 | 84.1 | 0 | 0 | 0 | 107.5 | S1035 N1039 | S1035-L1037 PolarHBondContact O-N 3.17Å; L1037-N1039 PolarHBondContact O-N 3.18Å | ||
| 1038 | N | 37.7 | Very low | 50.3 | Low | 133 Ų | 133 | 113.9 Ų | 113.9 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | trans | -42.6 | 117.8 | -178.2 | -80.2 | -34.7 | 0 | 0 | 0 | 113.1 | E1036 I1040 | E1036-N1038 PolarHBondContact O-N 2.91Å; E1036-N1038 VanDerWaalsContact O-N 3.08Å; N1038-I1040 HydrophobicContact CB-CG1 3.98Å; N1038-I1040 PolarHBondContact O-N 3.3Å | ||
| 1039 | N | 30.8 | Very low | 47.4 | Very low | 166 Ų | 166 | 120 Ų | 120 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | trans | -60.1 | 85.9 | 154.4 | -81.2 | -27 | 0 | 0 | 0 | 108.8 | L1037 P1041 | L1037-N1039 PolarHBondContact O-N 3.18Å; N1039-P1041 WeakPolarHBondContact O-CD 3.33Å | ||
| 1040 | I | 36.6 | Very low | 44.3 | Very low | 138 Ų | 138 | 125 Ų | 125 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | trans | -84.5 | 114.8 | 166.7 | -57.3 | 176.6 | 0 | 0 | 0 | 106.5 | N1038 F1042 | N1038-I1040 HydrophobicContact CB-CG1 3.98Å; N1038-I1040 PolarHBondContact O-N 3.3Å; I1040-F1042 PolarHBondContact O-N 3.3Å | ||
| 1041 | P | 35.8 | Very low | 41.5 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -68.7 | 129.5 | -177.7 | 29.5 | -33.5 | 0 | 0 | 0 | 109.2 | N1039 S1043 | N1039-P1041 WeakPolarHBondContact O-CD 3.33Å; P1041-S1043 PolarHBondContact O-N 2.68Å | ||
| 1042 | F | 31.1 | Very low | 39.1 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 97% | 0.969 | 72% | 0.722 | S | S | * | * | trans | -48 | 98.5 | 174.5 | -76.4 | -98.4 | 0 | 0 | 0 | 111.5 | I1040 | I1040-F1042 PolarHBondContact O-N 3.3Š| ||
| 1043 | S | 30.3 | Very low | 36.8 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -107.8 | 109.2 | 158.7 | 66.6 | 0 | 0 | 0 | 0 | 108.3 | P1041 S1045 | P1041-S1043 PolarHBondContact O-N 2.68Å; S1043-S1045 PolarHBondContact O-N 3.43Å | ||
| 1044 | S | 29 | Very low | 35.1 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -56.1 | 115 | 173.6 | 51.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1045 | S | 29.7 | Very low | 33.8 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -154.3 | 98.1 | 147.4 | 56 | 0 | 0 | 0 | 0 | 107.7 | S1043 E1047 | S1043-S1045 PolarHBondContact O-N 3.43Å; S1045-E1047 PolarHBondContact O-N 3.02Å | ||
| 1046 | V | 30.6 | Very low | 33.1 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -66.5 | 115.3 | 169 | 173.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1047 | E | 28.7 | Very low | 32.7 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -168.1 | 101.3 | 142.8 | -109.7 | 169.5 | -171.7 | 0 | 0 | 111.6 | S1045 | S1045-E1047 PolarHBondContact O-N 3.02Š| ||
| 1048 | N | 28.8 | Very low | 33.1 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 29.2 | 97.4 | 142.6 | -67.8 | -19.1 | 0 | 0 | 0 | 119.5 | ||||
| 1049 | V | 30.4 | Very low | 34 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -136.5 | 95.1 | 137.2 | -177 | 0 | 0 | 0 | 0 | 108.5 | T1051 | V1049-T1051 PolarHBondContact O-N 3.27Š| ||
| 1050 | M | 25.2 | Very low | 35.8 | Very low | 177 Ų | 177 | 133 Ų | 133 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -70.2 | 116.5 | 160.5 | -82.1 | -173.9 | 168.8 | 0 | 0 | 108.2 | ||||
| 1051 | T | 27.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 158 | 102.7 | 137 | 40.2 | 0 | 0 | 0 | 0 | 109.8 | V1049 | V1049-T1051 PolarHBondContact O-N 3.27Š| ||
| 1052 | T | 29.4 | Very low | 39.9 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | trans | 163.6 | 86.4 | 144.7 | 36 | 0 | 0 | 0 | 0 | 109.2 | A1054 | T1052-A1054 VanDerWaalsContact C-N 3.34Å; T1052-A1054 PolarHBondContact O-N 2.81Å | ||
| 1053 | A | 32.3 | Very low | 42.5 | Very low | 114 Ų | 114 | 115 Ų | 115 | 94% | 0.942 | 68% | 0.675 | S | S | * | * | trans | -95.7 | 66.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1054 | A | 34.1 | Very low | 45.2 | Very low | 83 Ų | 83 | 110.2 Ų | 110.2 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | trans | -107.1 | 90.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | T1052 V1056 | T1052-A1054 VanDerWaalsContact C-N 3.34Å; T1052-A1054 PolarHBondContact O-N 2.81Å; A1054-V1056 PolarHBondContact O-N 2.73Å | ||
| 1055 | G | 36.6 | Very low | 47.9 | Very low | 73 Ų | 73 | 104.6 Ų | 104.6 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | trans | -56.3 | 111.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1057 | G1055-R1057 PolarHBondContact O-N 2.94Š| ||
| 1056 | V | 39.1 | Very low | 50.7 | Low | 134 Ų | 134 | 101.7 Ų | 101.7 | 81% | 0.812 | 58% | 0.576 | S | S | * | * | trans | -62.8 | 107.2 | 170.5 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | A1054 Q1058 | A1054-V1056 PolarHBondContact O-N 2.73Å; V1056-Q1058 PolarHBondContact O-N 3.47Å | ||
| 1057 | R | 40.7 | Very low | 53.5 | Low | 217 Ų | 217 | 95.1 Ų | 95.1 | 82% | 0.819 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 124.2 | 168.3 | -76.1 | -177.5 | 175.5 | -176.9 | -2.5 | 107.5 | G1055 N1059 | G1055-R1057 PolarHBondContact O-N 2.94Å; R1057-N1059 PolarHBondContact O-N 3.35Å |
| 1058 | Q | 50.8 | Low | 56.4 | Low | 104 Ų | 104 | 88 Ų | 88 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 131.5 | 165.3 | -83.2 | 179 | -19.6 | 0 | 0 | 107.8 | S1035 V1056 S1098 | S1035-Q1058 PolarHBondContact OG-NE2 3.19Å; V1056-Q1058 PolarHBondContact O-N 3.47Å; Q1058-S1098 PolarHBondContact O-OG 3.42Å |
| 1059 | N | 58 | Low | 59.4 | Low | 146 Ų | 146 | 80.9 Ų | 80.9 | 78% | 0.781 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 137.1 | 179.1 | -76.8 | -18.8 | 0 | 0 | 0 | 110 | R1057 | R1057-N1059 PolarHBondContact O-N 3.35Š|
| 1060 | D | 66.6 | Low | 62.3 | Low | 71 Ų | 71 | 75.3 Ų | 75.3 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 136.1 | 172.8 | -62.5 | -27.8 | 0 | 0 | 0 | 111.1 | R1095 S1098 | D1060-R1095 HydrophobicContact CB-CG 3.86Å; D1060-S1098 PolarHBondContact OD1-N 3.16Å |
| 1061 | R | 77.7 | Confident | 65.5 | Low | 76 Ų | 76 | 66.9 Ų | 66.9 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 137.6 | 179.7 | -62.8 | 175.8 | 78.1 | -179.3 | 9.2 | 109.9 | E993 P1033 F1063 V1096 | E993-R1061 IonicContact OE1-CZ 3.02Å; E993-R1061 VanDerWaalsContact OE1-CZ 3.29Å; E993-R1061 IonicContact OE1-NE 2.82Å; E993-R1061 PolarHBondContact OE1-NE 2.91Å; E993-R1061 IonicContact OE1-NH2 3.79Å; E993-R1061 PolarHBondContact OE1-NH2 3.42Å; E993-R1061 IonicContact OE2-CZ 3.13Å; E993-R1061 IonicContact OE2-NE 2.94Å; E993-R1061 IonicContact OE2-NH2 3.75Å; E993-R1061 PolarHBondContact OE2-NH2 3.32Å; P1033-R1061 PolarHBondContact O-NH1 2.91Å; R1061-F1063 HydrophobicContact CB-CE2 3.68Å; R1061-F1063 HydrophobicContact CB-CZ 3.93Å; R1061-V1096 PolarHBondContact N-O 2.82Å; R1061-V1096 PolarHBondContact O-N 3.13Å |
| 1062 | I | 81.5 | Confident | 68.7 | Low | 11 Ų | 11 | 61.8 Ų | 61.8 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.9 | 177.4 | -57.2 | 175.8 | 0 | 0 | 0 | 108.6 | I994 P996 I999 V1094 | I994-I1062 PolarHBondContact N-O 2.93Å; P996-I1062 HydrophobicContact CG-CD1 4.32Å; I999-I1062 HydrophobicContact CD1-CD1 3.91Å; I999-I1062 HydrophobicContact CD1-CG2 4.43Å; I1062-V1094 CarbonylContact C-O 3.59Å; I1062-V1094 WeakPolarHBondContact CA-O 3.48Å |
| 1063 | F | 85.3 | Confident | 71.6 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.4 | 177.2 | -58.8 | -87.2 | 0 | 0 | 0 | 109.9 | V991 N992 E993 I1010 F1032 P1033 R1061 L1093 V1094 V1096 | V991-F1063 HydrophobicContact CG1-CB 4.07Å; V991-F1063 HydrophobicContact CG1-CD1 4.19Å; V991-F1063 HydrophobicContact CG1-CG 4.44Å; N992-F1063 CarbonylContact O-C 3.59Å; N992-F1063 VanDerWaalsContact O-CA 3.28Å; N992-F1063 WeakPolarHBondContact O-CA 3.44Å; E993-F1063 HydrophobicContact CB-CD1 3.92Å; E993-F1063 HydrophobicContact CB-CE1 3.9Å; E993-F1063 HydrophobicContact CG-CE1 4.27Å; I1010-F1063 HydrophobicContact CD1-CD1 4.24Å; I1010-F1063 HydrophobicContact CD1-CE1 3.85Å; F1032-F1063 HydrophobicContact CB-CE2 4.32Å; F1032-F1063 HydrophobicContact CB-CZ 4.48Å; F1032-F1063 HydrophobicContact CD1-CB 4.2Å; F1032-F1063 HydrophobicContact CD1-CD1 4.16Å; F1032-F1063 AromaticContact CD1-CD2 3.62Å; F1032-F1063 HydrophobicContact CD1-CD2 3.62Å; F1032-F1063 HydrophobicContact CD1-CE1 4.46Å; F1032-F1063 AromaticContact CD1-CE2 3.96Å; F1032-F1063 HydrophobicContact CD1-CE2 3.96Å; F1032-F1063 AromaticContact CD1-CG 3.72Å; F1032-F1063 HydrophobicContact CD1-CG 3.72Å; F1032-F1063 HydrophobicContact CD1-CZ 4.37Å; F1032-F1063 HydrophobicContact CE1-CB 3.89Å; F1032-F1063 HydrophobicContact CE1-CD2 4.03Å; F1032-F1063 AromaticContact CE1-CG 3.94Å; F1032-F1063 HydrophobicContact CE1-CG 3.94Å; F1032-F1063 HydrophobicContact CG-CD2 4.41Å; F1032-F1063 HydrophobicContact CG-CE2 4.41Å; P1033-F1063 HydrophobicContact CG-CE1 3.98Å; P1033-F1063 HydrophobicContact CG-CZ 4.02Å; R1061-F1063 HydrophobicContact CB-CE2 3.68Å; R1061-F1063 HydrophobicContact CB-CZ 3.93Å; F1063-L1093 CarbonylContact O-C 3.32Å; F1063-L1093 WeakPolarHBondContact O-CA 3.45Å; F1063-V1094 PolarHBondContact N-O 3.49Å; F1063-V1094 PolarHBondContact O-N 3.48Å; F1063-V1096 HydrophobicContact CD2-CB 4.39Å; F1063-V1096 HydrophobicContact CD2-CG2 3.66Å; F1063-V1096 HydrophobicContact CE2-CB 4.01Å; F1063-V1096 HydrophobicContact CE2-CG2 3.64Å |
| 1064 | C | 86.6 | Confident | 74.3 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.1 | 168.1 | 175.7 | 0 | 0 | 0 | 0 | 108.7 | V991 N992 I994 L1093 | V991-C1064 WeakPolarHBondContact CA-O 3.2Å; N992-C1064 PolarHBondContact N-O 2.78Å; N992-C1064 PolarHBondContact O-N 3.23Å; I994-C1064 HydrophobicContact CD1-CB 3.22Å; I994-C1064 HydrophobicContact CG1-CB 3.86Å; C1064-L1093 HydrophobicContact CB-CD2 3.85Å |
| 1065 | I | 87.6 | Confident | 76.8 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.8 | 171.9 | -57.7 | 169.3 | 0 | 0 | 0 | 106.3 | V961 I989 V991 I1030 F1032 S1091 V1092 V1094 | V961-I1065 HydrophobicContact CG2-CD1 3.97Å; I989-I1065 HydrophobicContact CG2-CG2 3.7Å; V991-I1065 HydrophobicContact CG2-CG1 4.27Å; I1030-I1065 HydrophobicContact CD1-CD1 3.79Å; I1030-I1065 HydrophobicContact CD1-CG1 4.07Å; I1030-I1065 HydrophobicContact CD1-CG2 3.76Å; F1032-I1065 HydrophobicContact CZ-CD1 4.29Å; I1065-S1091 CarbonylContact O-C 3.42Å; I1065-S1091 WeakPolarHBondContact O-CA 3.35Å; I1065-V1092 PolarHBondContact N-O 3.11Å; I1065-V1092 PolarHBondContact O-N 3.18Å; I1065-V1094 HydrophobicContact CD1-CG2 3.52Å; I1065-V1094 HydrophobicContact CG1-CG2 4.14Å |
| 1066 | H | 87.1 | Confident | 79.3 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.4 | -178.6 | -174.2 | -87 | 0 | 0 | 0 | 109.7 | I989 N990 D1089 | I989-H1066 CarbonylContact C-O 3.52Å; I989-H1066 WeakPolarHBondContact CA-O 3.48Å; N990-H1066 PolarHBondContact N-O 3.42Å; N990-H1066 PolarHBondContact O-N 2.71Å; H1066-D1089 WeakPolarHBondContact CE1-CB 3.41Å; H1066-D1089 IonicContact CE1-OD1 3.72Å; H1066-D1089 IonicContact CE1-OD2 2.66Å; H1066-D1089 PolarHBondContact CE1-OD2 3.4Å; H1066-D1089 VanDerWaalsContact NE2-CB 3.31Å; H1066-D1089 WeakPolarHBondContact NE2-CB 3.5Å; H1066-D1089 IonicContact NE2-OD2 3.46Å; H1066-D1089 PolarHBondContact NE2-OD2 3.18Å |
| 1067 | A | 89.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L937 L939 I987 I988 I989 E1090 | L937-A1067 HydrophobicContact CD1-CB 4.32Å; L937-A1067 WeakPolarHBondContact CD1-O 3.11Å; L939-A1067 HydrophobicContact CD1-CB 4Å; L939-A1067 HydrophobicContact CD2-CB 3.92Å; L939-A1067 HydrophobicContact CG-CB 4.13Å; I987-A1067 HydrophobicContact CG2-CB 4.34Å; I988-A1067 WeakPolarHBondContact O-CA 3.07Å; I989-A1067 HydrophobicContact CG1-CB 4.43Å; A1067-E1090 PolarHBondContact N-O 3.06Å; A1067-E1090 PolarHBondContact O-N 2.9Å |
| 1068 | H | 89.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.9 | -178 | 174.5 | 69.9 | 0 | 0 | 0 | 110.4 | I988 D1080 D1089 | I988-H1068 PolarHBondContact N-O 3.4Å; I988-H1068 PolarHBondContact O-N 2.94Å; H1068-D1080 IonicContact CE1-OD1 2.79Å; H1068-D1080 PolarHBondContact CE1-OD1 3.45Å; H1068-D1080 VanDerWaalsContact CE1-OD1 3.24Å; H1068-D1080 IonicContact NE2-OD1 3.36Å; H1068-D1080 PolarHBondContact NE2-OD1 3.23Å; H1068-D1080 IonicContact NE2-OD2 3.72Å; H1068-D1089 WeakPolarHBondContact CA-OD1 3.43Å; H1068-D1089 IonicContact CE1-OD1 2.76Å; H1068-D1089 IonicContact CG-OD1 3.62Å; H1068-D1089 IonicContact ND1-OD1 3.15Å; H1068-D1089 PolarHBondContact ND1-OD1 2.85Å; H1068-D1089 IonicContact ND1-OD2 2.95Å |
| 1069 | P | 92 | Very high | 86 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.2 | -178.6 | 35.6 | -28.8 | 0 | 0 | 0 | 113.2 | V935 L937 V985 I987 A1087 | V935-P1069 HydrophobicContact CB-CG 4.39Å; V935-P1069 HydrophobicContact CG1-CB 4.05Å; V935-P1069 HydrophobicContact CG1-CG 4.04Å; L937-P1069 HydrophobicContact CD1-CB 4.07Å; L937-P1069 HydrophobicContact CD1-CG 3.76Å; L937-P1069 HydrophobicContact CD2-CB 4.26Å; L937-P1069 HydrophobicContact CG-CB 4.48Å; L937-P1069 HydrophobicContact CG-CG 4.21Å; V985-P1069 HydrophobicContact CG1-CB 3.91Å; I987-P1069 HydrophobicContact CD1-CB 3.75Å; P1069-A1087 HydrophobicContact CG-CB 3.99Å |
| 1070 | I | 92 | Very high | 87.5 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.8 | 166.5 | -59.4 | -178.7 | 0 | 0 | 0 | 108.3 | Q986 I988 Y1078 | Q986-I1070 HydrophobicContact CB-CB 4.3Å; Q986-I1070 PolarHBondContact N-O 3.01Å; Q986-I1070 PolarHBondContact O-N 3.15Å; I988-I1070 HydrophobicContact CD1-CD1 3.45Å; I988-I1070 VanDerWaalsContact CD1-CD1 3.45Å; I988-I1070 HydrophobicContact CD1-CG1 4.24Å; I988-I1070 HydrophobicContact CG1-CD1 4.29Å; I1070-Y1078 HydrophobicContact CG2-CD1 3.98Å |
| 1071 | L | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 144.4 | -178.9 | -64.2 | -178 | 0 | 0 | 0 | 111.6 | L819 T933 V935 V967 I982 V985 Y1078 W1079 L1081 | L819-L1071 HydrophobicContact CD2-CD1 3.6Å; T933-L1071 HydrophobicContact CG2-CD1 3.81Å; V935-L1071 HydrophobicContact CG2-CD1 3.57Å; V935-L1071 HydrophobicContact CG2-CD2 3.53Å; V935-L1071 HydrophobicContact CG2-CG 3.81Å; V967-L1071 HydrophobicContact CG2-CD2 4.01Å; I982-L1071 HydrophobicContact CD1-CB 4.05Å; I982-L1071 HydrophobicContact CD1-CD1 4.39Å; I982-L1071 HydrophobicContact CG1-CB 4.47Å; I982-L1071 HydrophobicContact CG1-CD1 4.23Å; I982-L1071 HydrophobicContact CG2-CB 4.31Å; I982-L1071 HydrophobicContact CG2-CD2 4.03Å; V985-L1071 HydrophobicContact CB-CD2 4.37Å; V985-L1071 HydrophobicContact CG1-CD2 4.1Å; V985-L1071 HydrophobicContact CG2-CD2 3.63Å; L1071-Y1078 CarbonylContact O-C 3.59Å; L1071-Y1078 WeakPolarHBondContact O-CA 3.17Å; L1071-W1079 HydrophobicContact CB-CB 4.21Å; L1071-W1079 PolarHBondContact N-O 3.19Å; L1071-W1079 PolarHBondContact O-N 3.33Å; L1071-L1081 HydrophobicContact CD1-CD1 3.51Å; L1071-L1081 HydrophobicContact CD1-CG 4.3Å; L1071-L1081 HydrophobicContact CG-CD1 4.38Å |
| 1072 | I | 92.8 | Very high | 88 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.9 | 176.7 | -51.3 | 175.5 | 0 | 0 | 0 | 108.4 | I982 T983 A984 Q986 T1016 S1077 Y1078 | I982-I1072 WeakPolarHBondContact CA-O 3.35Å; I982-I1072 WeakPolarHBondContact CG2-O 3.31Å; T983-I1072 PolarHBondContact N-O 2.66Å; T983-I1072 PolarHBondContact OG1-O 2.93Å; A984-I1072 HydrophobicContact CB-CB 4.19Å; A984-I1072 HydrophobicContact CB-CD1 4.16Å; A984-I1072 PolarHBondContact N-O 3.32Å; A984-I1072 PolarHBondContact O-N 3.27Å; Q986-I1072 HydrophobicContact CB-CD1 4.32Å; T1016-I1072 HydrophobicContact CG2-CD1 3.81Å; I1072-S1077 WeakPolarHBondContact CA-O 3.46Å; I1072-Y1078 HydrophobicContact CD1-CD1 4.17Å; I1072-Y1078 HydrophobicContact CD1-CE1 3.59Å; I1072-Y1078 HydrophobicContact CG1-CD1 3.86Å; I1072-Y1078 HydrophobicContact CG1-CE1 3.81Å |
| 1073 | D | 91.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 179.2 | 178.4 | 70.5 | 16.7 | 0 | 0 | 0 | 113.4 | R980 R981 I982 T983 L1075 G1076 S1077 W1079 | R980-D1073 HydrophobicContact CB-CB 4.39Å; R980-D1073 WeakPolarHBondContact CD-OD2 3.48Å; R981-D1073 CarbonylContact O-C 3.57Å; R981-D1073 WeakPolarHBondContact O-CA 3.42Å; I982-D1073 HydrophobicContact CD1-CB 4.14Å; T983-D1073 PolarHBondContact OG1-O 3.09Å; T983-D1073 VanDerWaalsContact OG1-O 3.1Å; D1073-L1075 PolarHBondContact O-N 2.88Å; D1073-L1075 WeakPolarHBondContact OD1-CA 3.25Å; D1073-L1075 WeakPolarHBondContact OD1-CB 3.49Å; D1073-L1075 PolarHBondContact OD1-N 3.17Å; D1073-G1076 PolarHBondContact O-N 2.97Å; D1073-G1076 VanDerWaalsContact O-N 3.14Å; D1073-G1076 PolarHBondContact OD1-N 3.39Å; D1073-S1077 PolarHBondContact N-O 3.04Å; D1073-S1077 VanDerWaalsContact N-O 3.1Å; D1073-S1077 WeakPolarHBondContact OD1-CB 3.42Å; D1073-S1077 PolarHBondContact OD1-N 3.27Å; D1073-S1077 WeakPolarHBondContact OD2-CB 3.38Å; D1073-W1079 PolarHBondContact OD2-NE1 3.49Å |
| 1074 | D | 88.9 | Confident | 86.4 | Confident | 89 Ų | 89 | 38.6 Ų | 38.6 | 48% | 0.476 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -14.3 | 178 | 52.2 | -20.1 | 0 | 0 | 0 | 113.9 | R981 T983 | R981-D1074 HydrophobicContact CB-CB 4.39Å; R981-D1074 PolarHBondContact N-OD1 3.44Å; R981-D1074 PolarHBondContact O-N 3.02Å; T983-D1074 HydrophobicContact CG2-CB 3.84Å |
| 1075 | L | 87 | Confident | 85.4 | Confident | 143 Ų | 143 | 38.4 Ų | 38.4 | 75% | 0.749 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -0.7 | 172.1 | -58.8 | 176.6 | 0 | 0 | 0 | 112.4 | D1073 S1077 | D1073-L1075 PolarHBondContact O-N 2.88Å; D1073-L1075 WeakPolarHBondContact OD1-CA 3.25Å; D1073-L1075 WeakPolarHBondContact OD1-CB 3.49Å; D1073-L1075 PolarHBondContact OD1-N 3.17Å; L1075-S1077 VanDerWaalsContact C-N 3.34Å |
| 1076 | G | 87.4 | Confident | 84.6 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | trans | 79.1 | 12.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1073 | D1073-G1076 PolarHBondContact O-N 2.97Å; D1073-G1076 VanDerWaalsContact O-N 3.14Å; D1073-G1076 PolarHBondContact OD1-N 3.39Å | ||
| 1077 | S | 89.8 | Confident | 83.8 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 37% | 0.371 | 21% | 0.212 | S | C | . | . | trans | -79.8 | 142.5 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | I1072 D1073 L1075 W1079 | I1072-S1077 WeakPolarHBondContact CA-O 3.46Å; D1073-S1077 PolarHBondContact N-O 3.04Å; D1073-S1077 VanDerWaalsContact N-O 3.1Å; D1073-S1077 WeakPolarHBondContact OD1-CB 3.42Å; D1073-S1077 PolarHBondContact OD1-N 3.27Å; D1073-S1077 WeakPolarHBondContact OD2-CB 3.38Å; L1075-S1077 VanDerWaalsContact C-N 3.34Å; S1077-W1079 VanDerWaalsContact O-CD1 3.28Å; S1077-W1079 PolarHBondContact O-NE1 3.19Å | ||
| 1078 | Y | 91.4 | Very high | 82.8 | Confident | 138 Ų | 138 | 37.5 Ų | 37.5 | 54% | 0.541 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.8 | -178.9 | -67.4 | -99.4 | 0 | 0 | 0 | 111.3 | I1070 L1071 I1072 | I1070-Y1078 HydrophobicContact CG2-CD1 3.98Å; L1071-Y1078 CarbonylContact O-C 3.59Å; L1071-Y1078 WeakPolarHBondContact O-CA 3.17Å; I1072-Y1078 HydrophobicContact CD1-CD1 4.17Å; I1072-Y1078 HydrophobicContact CD1-CE1 3.59Å; I1072-Y1078 HydrophobicContact CG1-CD1 3.86Å; I1072-Y1078 HydrophobicContact CG1-CE1 3.81Å |
| 1079 | W | 91.9 | Very high | 82.2 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 104 | -176.6 | -56.9 | 92.8 | 0 | 0 | 0 | 109.9 | R815 L819 H826 R980 L1071 D1073 S1077 L1081 | R815-W1079 WeakPolarHBondContact O-CZ3 3.47Å; L819-W1079 VanDerWaalsContact CA-CE3 3.44Å; L819-W1079 HydrophobicContact CB-CB 4.18Å; L819-W1079 HydrophobicContact CB-CD2 3.89Å; L819-W1079 HydrophobicContact CB-CE3 3.87Å; L819-W1079 HydrophobicContact CB-CG 4.05Å; L819-W1079 HydrophobicContact CD1-CB 4.39Å; L819-W1079 HydrophobicContact CD1-CD2 3.73Å; L819-W1079 HydrophobicContact CD1-CE3 4.46Å; L819-W1079 HydrophobicContact CD1-CG 3.66Å; L819-W1079 HydrophobicContact CD1-CZ2 4.47Å; L819-W1079 HydrophobicContact CG-CD2 4.4Å; L819-W1079 HydrophobicContact CG-CG 4.31Å; H826-W1079 AromaticContact CE1-CH2 3.49Å; H826-W1079 VanDerWaalsContact CE1-CH2 3.49Å; H826-W1079 WeakPolarHBondContact CE1-CH2 3.47Å; H826-W1079 AromaticContact CE1-CZ3 3.59Å; H826-W1079 AromaticContact NE2-CH2 3.91Å; R980-W1079 VanDerWaalsContact CD-CZ2 3.45Å; L1071-W1079 HydrophobicContact CB-CB 4.21Å; L1071-W1079 PolarHBondContact N-O 3.19Å; L1071-W1079 PolarHBondContact O-N 3.33Å; D1073-W1079 PolarHBondContact OD2-NE1 3.49Å; S1077-W1079 VanDerWaalsContact O-CD1 3.28Å; S1077-W1079 PolarHBondContact O-NE1 3.19Å; W1079-L1081 PolarHBondContact O-N 3.06Å |
| 1080 | D | 89.4 | Confident | 81.6 | Confident | 69 Ų | 69 | 41.4 Ų | 41.4 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 102 | 173.9 | -178.6 | -11.4 | 0 | 0 | 0 | 108.2 | A816 Q817 H1068 | A816-D1080 CarbonylContact C-O 3.57Å; A816-D1080 HydrophobicContact CB-CB 4.42Å; A816-D1080 PolarHBondContact O-N 3.24Å; Q817-D1080 WeakPolarHBondContact CA-O 3.32Å; Q817-D1080 WeakPolarHBondContact CG-O 3.37Å; H1068-D1080 IonicContact CE1-OD1 2.79Å; H1068-D1080 PolarHBondContact CE1-OD1 3.45Å; H1068-D1080 VanDerWaalsContact CE1-OD1 3.24Å; H1068-D1080 IonicContact NE2-OD1 3.36Å; H1068-D1080 PolarHBondContact NE2-OD1 3.23Å; H1068-D1080 IonicContact NE2-OD2 3.72Å |
| 1081 | L | 82.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | trans | -93.2 | 130.3 | -178.9 | -63.9 | -172.3 | 0 | 0 | 0 | 109.2 | Q817 L819 L1071 W1079 A1085 A1087 | Q817-L1081 WeakPolarHBondContact O-CD2 3.3Å; L819-L1081 HydrophobicContact CB-CD2 3.88Å; L819-L1081 HydrophobicContact CD2-CD1 4.12Å; L1071-L1081 HydrophobicContact CD1-CD1 3.51Å; L1071-L1081 HydrophobicContact CD1-CG 4.3Å; L1071-L1081 HydrophobicContact CG-CD1 4.38Å; W1079-L1081 PolarHBondContact O-N 3.06Å; L1081-A1085 HydrophobicContact CB-CB 4.13Å; L1081-A1085 HydrophobicContact CD2-CB 4.1Å; L1081-A1087 HydrophobicContact CB-CB 3.43Å; L1081-A1087 VanDerWaalsContact CB-CB 3.43Å; L1081-A1087 HydrophobicContact CD1-CB 4.21Å; L1081-A1087 HydrophobicContact CG-CB 4.43Å | ||
| 1082 | S | 71.4 | Confident | 80.7 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | trans | -73 | 163.2 | 167.2 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | Q817 N1084 A1085 G1086 A1087 | Q817-S1082 PolarHBondContact OE1-OG 2.92Å; S1082-N1084 PolarHBondContact O-N 2.89Å; S1082-N1084 VanDerWaalsContact O-N 3.14Å; S1082-A1085 WeakPolarHBondContact O-CA 3.48Å; S1082-A1085 WeakPolarHBondContact O-CB 3.02Å; S1082-A1085 PolarHBondContact O-N 3.4Å; S1082-G1086 PolarHBondContact O-N 3.45Å; S1082-A1087 CarbonylContact C-O 3.46Å; S1082-A1087 PolarHBondContact O-N 3.33Å | ||
| 1083 | A | 66 | Low | 80.2 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -46 | -45.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1085 G1086 A1087 | A1083-A1085 VanDerWaalsContact C-N 3.27Å; A1083-A1085 PolarHBondContact O-N 2.92Å; A1083-G1086 PolarHBondContact O-N 3.35Å; A1083-G1086 VanDerWaalsContact O-N 3.13Å; A1083-A1087 VanDerWaalsContact CA-O 3.23Å; A1083-A1087 WeakPolarHBondContact CA-O 3.47Å; A1083-A1087 PolarHBondContact N-O 3.45Å |
| 1084 | N | 67.8 | Low | 79.7 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -68.1 | -25.1 | 180 | -51.5 | 16.4 | 0 | 0 | 0 | 112.8 | S716 W720 S1082 G1086 | S716-N1084 PolarHBondContact O-ND2 3.15Å; W720-N1084 HydrophobicContact CB-CB 3.88Å; W720-N1084 HydrophobicContact CG-CB 3.82Å; W720-N1084 PolarHBondContact NE1-O 2.78Å; S1082-N1084 PolarHBondContact O-N 2.89Å; S1082-N1084 VanDerWaalsContact O-N 3.14Å; N1084-G1086 VanDerWaalsContact C-N 3.3Å |
| 1085 | A | 66.3 | Low | 79.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -82.7 | -5.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W720 L1081 S1082 A1083 | W720-A1085 HydrophobicContact CH2-CB 4.22Å; W720-A1085 HydrophobicContact CZ2-CB 3.62Å; L1081-A1085 HydrophobicContact CB-CB 4.13Å; L1081-A1085 HydrophobicContact CD2-CB 4.1Å; S1082-A1085 WeakPolarHBondContact O-CA 3.48Å; S1082-A1085 WeakPolarHBondContact O-CB 3.02Å; S1082-A1085 PolarHBondContact O-N 3.4Å; A1083-A1085 VanDerWaalsContact C-N 3.27Å; A1083-A1085 PolarHBondContact O-N 2.92Å |
| 1086 | G | 68.9 | Low | 79 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 8.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T934 V935 S1082 A1083 N1084 | T934-G1086 CarbonylContact C-O 3.57Å; T934-G1086 WeakPolarHBondContact CA-O 3.41Å; V935-G1086 PolarHBondContact N-O 2.74Å; S1082-G1086 PolarHBondContact O-N 3.45Å; A1083-G1086 PolarHBondContact O-N 3.35Å; A1083-G1086 VanDerWaalsContact O-N 3.13Å; N1084-G1086 VanDerWaalsContact C-N 3.3Å |
| 1087 | A | 70.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -117.8 | 92.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V935 P1069 L1081 S1082 A1083 | V935-A1087 HydrophobicContact CB-CB 4.21Å; V935-A1087 HydrophobicContact CG2-CB 4.25Å; P1069-A1087 HydrophobicContact CG-CB 3.99Å; L1081-A1087 HydrophobicContact CB-CB 3.43Å; L1081-A1087 VanDerWaalsContact CB-CB 3.43Å; L1081-A1087 HydrophobicContact CD1-CB 4.21Å; L1081-A1087 HydrophobicContact CG-CB 4.43Å; S1082-A1087 CarbonylContact C-O 3.46Å; S1082-A1087 PolarHBondContact O-N 3.33Å; A1083-A1087 VanDerWaalsContact CA-O 3.23Å; A1083-A1087 WeakPolarHBondContact CA-O 3.47Å; A1083-A1087 PolarHBondContact N-O 3.45Å |
| 1088 | S | 68.7 | Low | 77 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | trans | -73.9 | 128.6 | 176.5 | 62.3 | 0 | 0 | 0 | 0 | 109.6 | E10 | E10-S1088 WeakPolarHBondContact OE1-CB 3.47Š| ||
| 1089 | D | 76.6 | Confident | 75.3 | Confident | 61 Ų | 61 | 35.9 Ų | 35.9 | 33% | 0.326 | 20% | 0.201 | S | C | . | . | trans | -68.9 | 149.7 | 170 | -63.8 | -34.3 | 0 | 0 | 0 | 110.2 | H1066 H1068 | H1066-D1089 WeakPolarHBondContact CE1-CB 3.41Å; H1066-D1089 IonicContact CE1-OD1 3.72Å; H1066-D1089 IonicContact CE1-OD2 2.66Å; H1066-D1089 PolarHBondContact CE1-OD2 3.4Å; H1066-D1089 VanDerWaalsContact NE2-CB 3.31Å; H1066-D1089 WeakPolarHBondContact NE2-CB 3.5Å; H1066-D1089 IonicContact NE2-OD2 3.46Å; H1066-D1089 PolarHBondContact NE2-OD2 3.18Å; H1068-D1089 WeakPolarHBondContact CA-OD1 3.43Å; H1068-D1089 IonicContact CE1-OD1 2.76Å; H1068-D1089 IonicContact CG-OD1 3.62Å; H1068-D1089 IonicContact ND1-OD1 3.15Å; H1068-D1089 PolarHBondContact ND1-OD1 2.85Å; H1068-D1089 IonicContact ND1-OD2 2.95Å | ||
| 1090 | E | 79.8 | Confident | 73.5 | Confident | 47 Ų | 47 | 39.4 Ų | 39.4 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.6 | 171.7 | -86.3 | -81.1 | 150 | 0 | 0 | 109.5 | L937 L939 K942 A1067 | L937-E1090 HydrophobicContact CB-CB 3.96Å; L937-E1090 HydrophobicContact CB-CG 3.59Å; L937-E1090 VanDerWaalsContact O-CG 3.31Å; L937-E1090 WeakPolarHBondContact O-CG 3.47Å; L939-E1090 HydrophobicContact CD1-CB 3.86Å; L939-E1090 WeakPolarHBondContact CD1-O 3.45Å; L939-E1090 HydrophobicContact CG-CB 4.1Å; K942-E1090 IonicContact NZ-OE2 3.24Å; K942-E1090 PolarHBondContact NZ-OE2 3.33Å; A1067-E1090 PolarHBondContact N-O 3.06Å; A1067-E1090 PolarHBondContact O-N 2.9Å |
| 1091 | S | 82.2 | Confident | 71.4 | Confident | 55 Ų | 55 | 42.1 Ų | 42.1 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.2 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | I1065 | I1065-S1091 CarbonylContact O-C 3.42Å; I1065-S1091 WeakPolarHBondContact O-CA 3.35Å |
| 1092 | V | 83.3 | Confident | 69.8 | Low | 15 Ų | 15 | 45.5 Ų | 45.5 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.9 | 175.3 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | L939 K942 I1065 V1094 | L939-V1092 HydrophobicContact CB-CG2 3.61Å; L939-V1092 HydrophobicContact CD1-CB 4.49Å; L939-V1092 HydrophobicContact CD1-CG2 3.9Å; L939-V1092 HydrophobicContact CG-CG2 4.4Å; K942-V1092 HydrophobicContact CG-CG2 4.39Å; I1065-V1092 PolarHBondContact N-O 3.11Å; I1065-V1092 PolarHBondContact O-N 3.18Å; V1092-V1094 HydrophobicContact CG1-CG2 4.32Å |
| 1093 | L | 82.4 | Confident | 68.4 | Low | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.2 | 173.7 | -63.1 | 179 | 0 | 0 | 0 | 110.4 | V950 L951 I994 I999 F1063 C1064 | V950-L1093 HydrophobicContact CB-CB 4.39Å; V950-L1093 HydrophobicContact CG1-CB 4.28Å; V950-L1093 HydrophobicContact CG2-CB 4.01Å; V950-L1093 HydrophobicContact CG2-CD1 4.18Å; L951-L1093 WeakPolarHBondContact CB-O 3.28Å; L951-L1093 PolarHBondContact N-O 2.67Å; I994-L1093 HydrophobicContact CD1-CD2 4.09Å; I999-L1093 HydrophobicContact CG2-CD1 4.43Å; F1063-L1093 CarbonylContact O-C 3.32Å; F1063-L1093 WeakPolarHBondContact O-CA 3.45Å; C1064-L1093 HydrophobicContact CB-CD2 3.85Å |
| 1094 | V | 82.4 | Confident | 66.9 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.9 | -176.9 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | L951 I953 F1032 I1062 F1063 I1065 V1092 V1096 | L951-V1094 HydrophobicContact CB-CG2 4.34Å; L951-V1094 HydrophobicContact CD2-CG2 4.38Å; L951-V1094 CarbonylContact O-C 3.52Å; L951-V1094 VanDerWaalsContact O-CA 3.23Å; L951-V1094 WeakPolarHBondContact O-CA 3.46Å; I953-V1094 HydrophobicContact CD1-CB 4.46Å; I953-V1094 HydrophobicContact CD1-CG1 3.31Å; I953-V1094 HydrophobicContact CD1-CG2 4.33Å; I953-V1094 HydrophobicContact CG1-CG1 3.83Å; F1032-V1094 HydrophobicContact CE1-CG1 4.32Å; F1032-V1094 HydrophobicContact CE2-CG1 4.34Å; F1032-V1094 HydrophobicContact CZ-CB 4.41Å; F1032-V1094 HydrophobicContact CZ-CG1 3.81Å; I1062-V1094 CarbonylContact C-O 3.59Å; I1062-V1094 WeakPolarHBondContact CA-O 3.48Å; F1063-V1094 PolarHBondContact N-O 3.49Å; F1063-V1094 PolarHBondContact O-N 3.48Å; I1065-V1094 HydrophobicContact CD1-CG2 3.52Å; I1065-V1094 HydrophobicContact CG1-CG2 4.14Å; V1092-V1094 HydrophobicContact CG1-CG2 4.32Å; V1094-V1096 HydrophobicContact CG1-CG2 4.24Å |
| 1095 | R | 82.3 | Confident | 65.4 | Low | 90 Ų | 90 | 54.9 Ų | 54.9 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.4 | 169.4 | -177.6 | -179.7 | -60.9 | 160.6 | 5.2 | 109 | V950 L951 T952 I953 D1060 | V950-R1095 HydrophobicContact CG1-CB 3.61Å; L951-R1095 PolarHBondContact O-N 3.46Å; T952-R1095 CarbonylContact C-O 3.3Å; T952-R1095 WeakPolarHBondContact CA-O 3.46Å; I953-R1095 PolarHBondContact N-O 3.04Å; D1060-R1095 HydrophobicContact CB-CG 3.86Å |
| 1096 | V | 78.9 | Confident | 64 | Low | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | I953 N955 F1032 R1061 F1063 V1094 | I953-V1096 WeakPolarHBondContact O-CA 3.36Å; N955-V1096 HydrophobicContact CB-CG1 3.75Å; N955-V1096 WeakPolarHBondContact OD1-CG1 3.36Å; F1032-V1096 HydrophobicContact CB-CG2 4.1Å; F1032-V1096 HydrophobicContact CD1-CG2 4.03Å; F1032-V1096 HydrophobicContact CD2-CG2 3.81Å; F1032-V1096 HydrophobicContact CE1-CG2 4.44Å; F1032-V1096 HydrophobicContact CE2-CG2 4.24Å; F1032-V1096 HydrophobicContact CG-CG2 3.7Å; R1061-V1096 PolarHBondContact N-O 2.82Å; R1061-V1096 PolarHBondContact O-N 3.13Å; F1063-V1096 HydrophobicContact CD2-CB 4.39Å; F1063-V1096 HydrophobicContact CD2-CG2 3.66Å; F1063-V1096 HydrophobicContact CE2-CB 4.01Å; F1063-V1096 HydrophobicContact CE2-CG2 3.64Å; V1094-V1096 HydrophobicContact CG1-CG2 4.24Å |
| 1097 | E | 74.6 | Confident | 62.3 | Low | 98 Ų | 98 | 69 Ų | 69 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126 | 179.9 | -69.2 | -174.1 | 163.7 | 0 | 0 | 111.1 | T952 I953 N955 | T952-E1097 HydrophobicContact CG2-CG 3.58Å; T952-E1097 VanDerWaalsContact CG2-OE1 3.26Å; T952-E1097 WeakPolarHBondContact CG2-OE1 3.25Å; I953-E1097 PolarHBondContact O-N 3.35Å; N955-E1097 VanDerWaalsContact CB-O 3.31Å; N955-E1097 WeakPolarHBondContact CB-O 3.43Å |
| 1098 | S | 61.5 | Low | 60.5 | Low | 35 Ų | 35 | 73.1 Ų | 73.1 | 25% | 0.245 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 127.3 | 172.1 | 5.9 | 0 | 0 | 0 | 0 | 110.5 | Q1058 D1060 | Q1058-S1098 PolarHBondContact O-OG 3.42Å; D1060-S1098 PolarHBondContact OD1-N 3.16Å |
| 1099 | L | 55.3 | Low | 58.7 | Low | 80 Ų | 80 | 80.1 Ų | 80.1 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 136.6 | 171.7 | -108.1 | 90.4 | 0 | 0 | 0 | 110.1 | D956 A1103 | D956-L1099 VanDerWaalsContact OD2-CD1 3.22Å; D956-L1099 WeakPolarHBondContact OD2-CD1 3.3Å; L1099-A1103 HydrophobicContact CD2-CB 4.34Å |
| 1100 | P | 54 | Low | 56.4 | Low | 95 Ų | 95 | 84.5 Ų | 84.5 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 137.7 | 176.9 | 22.4 | -30.1 | 0 | 0 | 0 | 110.8 | G1102 | P1100-G1102 PolarHBondContact O-N 2.84Š|
| 1101 | P | 45.6 | Very low | 54.4 | Low | 126 Ų | 126 | 87.9 Ų | 87.9 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 95.9 | 178.3 | 27.9 | -31.6 | 0 | 0 | 0 | 108.7 | ||
| 1102 | G | 48.3 | Very low | 51.9 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 76% | 0.763 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 161 | -10.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P1100 L1104 | P1100-G1102 PolarHBondContact O-N 2.84Å; G1102-L1104 VanDerWaalsContact C-N 3.29Å; G1102-L1104 PolarHBondContact O-N 3.13Å |
| 1103 | A | 40.4 | Very low | 49.4 | Very low | 72 Ų | 72 | 96.5 Ų | 96.5 | 60% | 0.595 | 58% | 0.578 | S | S | * | * | trans | -82 | 0.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1099 S1105 | L1099-A1103 HydrophobicContact CD2-CB 4.34Å; A1103-S1105 PolarHBondContact O-N 3.25Å | ||
| 1104 | L | 36.2 | Very low | 46.8 | Very low | 164 Ų | 164 | 105 Ų | 105 | 86% | 0.859 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -89.9 | 84.7 | 175.7 | -72.3 | 167.1 | 0 | 0 | 0 | 110.7 | G1102 | G1102-L1104 VanDerWaalsContact C-N 3.29Å; G1102-L1104 PolarHBondContact O-N 3.13Å |
| 1105 | S | 36.2 | Very low | 44.5 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | trans | 38 | 92.3 | 147.4 | 64.4 | 0 | 0 | 0 | 0 | 118.3 | A1103 | A1103-S1105 PolarHBondContact O-N 3.25Š| ||
| 1106 | T | 35.8 | Very low | 41.8 | Very low | 140 Ų | 140 | 117.6 Ų | 117.6 | 86% | 0.859 | 68% | 0.679 | S | S | * | * | trans | -89.6 | 81.2 | 142.6 | 42.7 | 0 | 0 | 0 | 0 | 108.3 | A1108 | T1106-A1108 PolarHBondContact O-N 2.91Š| ||
| 1107 | H | 32.9 | Very low | 39.5 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | trans | -70 | 75.8 | 160.6 | -87.2 | -71.1 | 0 | 0 | 0 | 108.2 | L1109 | H1107-L1109 PolarHBondContact O-N 2.73Š| ||
| 1108 | A | 34.4 | Very low | 37.7 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | -71.7 | 104.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | T1106 N1110 | T1106-A1108 PolarHBondContact O-N 2.91Å; A1108-N1110 PolarHBondContact O-N 3.41Å | ||
| 1109 | L | 29.9 | Very low | 35.9 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -51.2 | 104.4 | 167.9 | -72.2 | 149.4 | 0 | 0 | 0 | 109 | H1107 P1111 | H1107-L1109 PolarHBondContact O-N 2.73Å; L1109-P1111 WeakPolarHBondContact O-CD 3.44Å | ||
| 1110 | N | 29 | Very low | 34.6 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -99.5 | 104.8 | 161.3 | -104.7 | -3 | 0 | 0 | 0 | 107.5 | A1108 S1112 | A1108-N1110 PolarHBondContact O-N 3.41Å; N1110-S1112 PolarHBondContact O-N 3.04Å | ||
| 1111 | P | 37.8 | Very low | 33.4 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -93.9 | 83.2 | -179 | 35.3 | -27.9 | 0 | 0 | 0 | 109.5 | L1109 | L1109-P1111 WeakPolarHBondContact O-CD 3.44Š| ||
| 1112 | S | 29 | Very low | 32.4 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | 179.7 | 96.8 | 164.4 | 43.1 | 0 | 0 | 0 | 0 | 109 | N1110 | N1110-S1112 PolarHBondContact O-N 3.04Š| ||
| 1113 | D | 31.3 | Very low | 31.5 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -179.3 | 75.2 | 136.9 | -87.4 | -19.7 | 0 | 0 | 0 | 107.9 | H1115 | D1113-H1115 PolarHBondContact O-N 2.82Š| ||
| 1114 | Q | 28 | Very low | 30.8 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -77.5 | 93.8 | 162.6 | -74.6 | -177 | -13.4 | 0 | 0 | 107.9 | ||||
| 1115 | H | 32.2 | Very low | 30.4 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -137.9 | 112.9 | 156.2 | -89 | -62.7 | 0 | 0 | 0 | 111.4 | D1113 | D1113-H1115 PolarHBondContact O-N 2.82Š| ||
| 1116 | H | 27.4 | Very low | 29.9 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -37.5 | 133.4 | 168.6 | -69.7 | -79.9 | 0 | 0 | 0 | 114.6 | ||||
| 1117 | H | 30.4 | Very low | 29.4 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | -149 | 133.2 | 133.6 | -100 | -62.1 | 0 | 0 | 0 | 111.1 | ||||
| 1118 | P | 35.6 | Very low | 29 | Very low | 100 Ų | 100 | 153.8 Ų | 153.8 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | trans | -103.7 | 165.9 | -167.3 | 40.8 | -35.2 | 0 | 0 | 0 | 114.3 | ||||
| 1119 | Q | 25.3 | Very low | 28.7 | Very low | 182 Ų | 182 | 156.7 Ų | 156.7 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | 73.1 | 116.1 | 151.1 | -76.1 | 177.2 | -11.3 | 0 | 0 | 120.9 | ||||
| 1120 | R | 27.9 | Very low | 28.5 | Very low | 239 Ų | 239 | 157 Ų | 157 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | 176.4 | 100.5 | 117.3 | -100.2 | 177.5 | 173.8 | -178.7 | -2 | 109.1 | |||||
| 1121 | S | 27.2 | Very low | 28.3 | Very low | 99 Ų | 99 | 158.4 Ų | 158.4 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | 86.1 | 86.2 | 87.9 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1122 | D | 25.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 159.7 Ų | 159.7 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 25.6 | 105.6 | 132.1 | -55.1 | -25.8 | 0 | 0 | 0 | 118.4 | ||||
| 1123 | S | 29 | Very low | 27.6 | Very low | 116 Ų | 116 | 163.1 Ų | 163.1 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -101.6 | 105.7 | 152.4 | 52.3 | 0 | 0 | 0 | 0 | 108.3 | E1125 | S1123-E1125 PolarHBondContact O-N 3.19Š| ||
| 1124 | Q | 26.4 | Very low | 27.3 | Very low | 187 Ų | 187 | 158.7 Ų | 158.7 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -61.2 | 117.9 | 176.4 | -72.4 | 172.9 | -42.4 | 0 | 0 | 111 | ||||
| 1125 | E | 26.8 | Very low | 27.2 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -75.6 | 117.5 | 164.1 | -74.3 | 179.3 | 153.6 | 0 | 0 | 109.3 | S1123 N1127 | S1123-E1125 PolarHBondContact O-N 3.19Å; E1125-N1127 PolarHBondContact O-N 3.1Å | ||
| 1126 | T | 26 | Very low | 26.9 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -75.7 | 105.4 | 174 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | E1128 | T1126-E1128 PolarHBondContact O-N 3.39Å; T1126-E1128 VanDerWaalsContact O-N 3.15Å | ||
| 1127 | N | 25 | Very low | 26.8 | Very low | 150 Ų | 150 | 156.2 Ų | 156.2 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | trans | -63.5 | 101.5 | 167.9 | -85.1 | -35.3 | 0 | 0 | 0 | 110.8 | E1125 N1129 | E1125-N1127 PolarHBondContact O-N 3.1Å; N1127-N1129 PolarHBondContact O-N 3.27Å | ||
| 1128 | E | 25.8 | Very low | 26.7 | Very low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -80.3 | 101.7 | 163.3 | -74.3 | -169.6 | 159.3 | 0 | 0 | 109.5 | T1126 L1130 | T1126-E1128 PolarHBondContact O-N 3.39Å; T1126-E1128 VanDerWaalsContact O-N 3.15Å; E1128-L1130 PolarHBondContact O-N 2.91Å; E1128-L1130 VanDerWaalsContact O-N 3.15Å | ||
| 1129 | N | 26.5 | Very low | 26.2 | Very low | 147 Ų | 147 | 154 Ų | 154 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | trans | -63.2 | 107.2 | 172.4 | -81.1 | -36.2 | 0 | 0 | 0 | 110.6 | N1127 Q1131 | N1127-N1129 PolarHBondContact O-N 3.27Å; N1129-Q1131 PolarHBondContact O-N 3.3Å | ||
| 1130 | L | 27.1 | Very low | 26.3 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -61.4 | 96 | 166.2 | -83.2 | 148.3 | 0 | 0 | 0 | 110.3 | E1128 T1132 | E1128-L1130 PolarHBondContact O-N 2.91Å; E1128-L1130 VanDerWaalsContact O-N 3.15Å; L1130-T1132 PolarHBondContact O-N 2.74Å | ||
| 1131 | Q | 24 | Very low | 26.1 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -69.2 | 116.3 | 168 | -80.8 | -176.1 | -13.8 | 0 | 0 | 110 | N1129 I1133 | N1129-Q1131 PolarHBondContact O-N 3.3Å; Q1131-I1133 PolarHBondContact O-N 3Å | ||
| 1132 | T | 26.3 | Very low | 26.1 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -71.1 | 106.8 | 173.6 | 11.6 | 0 | 0 | 0 | 0 | 109.1 | L1130 G1134 | L1130-T1132 PolarHBondContact O-N 2.74Å; T1132-G1134 PolarHBondContact O-N 3.21Å | ||
| 1133 | I | 25.4 | Very low | 26.1 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -75.4 | 110.7 | 172.3 | -64.9 | 174 | 0 | 0 | 0 | 107.9 | Q1131 S1135 | Q1131-I1133 PolarHBondContact O-N 3Å; I1133-S1135 PolarHBondContact O-N 3.19Å | ||
| 1134 | G | 24.8 | Very low | 26.1 | Very low | 66 Ų | 66 | 144.6 Ų | 144.6 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | trans | -66.9 | 120.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1132 | T1132-G1134 PolarHBondContact O-N 3.21Š| ||
| 1135 | S | 26.7 | Very low | 26.1 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -88.4 | 114.4 | 167.1 | 44.1 | 0 | 0 | 0 | 0 | 109.3 | I1133 Q1137 | I1133-S1135 PolarHBondContact O-N 3.19Å; S1135-Q1137 PolarHBondContact O-N 3.18Å | ||
| 1136 | H | 25.1 | Very low | 26 | Very low | 190 Ų | 190 | 140 Ų | 140 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120 | 175.1 | -81.3 | -88.6 | 0 | 0 | 0 | 111.4 | ||
| 1137 | Q | 25.5 | Very low | 26 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 128.1 | 164.4 | -80 | 179.9 | -44.6 | 0 | 0 | 109.7 | S1135 S1139 | S1135-Q1137 PolarHBondContact O-N 3.18Å; Q1137-S1139 PolarHBondContact O-N 3.31Å |
| 1138 | P | 28.1 | Very low | 26.1 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 117 | 165.5 | 30.6 | -27.1 | 0 | 0 | 0 | 108.7 | S1140 | P1138-S1140 PolarHBondContact O-N 2.74Š|
| 1139 | S | 25.2 | Very low | 26 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -68.9 | 107.1 | 171.1 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | Q1137 | Q1137-S1139 PolarHBondContact O-N 3.31Š| ||
| 1140 | S | 27.8 | Very low | 25.9 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -134 | 95.1 | 157.6 | 61.3 | 0 | 0 | 0 | 0 | 108.6 | P1138 I1142 | P1138-S1140 PolarHBondContact O-N 2.74Å; S1140-I1142 PolarHBondContact O-N 3.06Å | ||
| 1141 | S | 24.9 | Very low | 25.7 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -64.4 | 109.8 | 173 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1142 | I | 26.6 | Very low | 25.6 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -122.7 | 112.7 | 155.4 | -62 | 178.1 | 0 | 0 | 0 | 106.2 | S1140 A1144 | S1140-I1142 PolarHBondContact O-N 3.06Å; I1142-A1144 PolarHBondContact O-N 3.01Å | ||
| 1143 | S | 24.5 | Very low | 25.4 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -57.4 | 107.1 | 179.5 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1144 | A | 28.6 | Very low | 25.2 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -97.6 | 108.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | I1142 | I1142-A1144 PolarHBondContact O-N 3.01Š| ||
| 1145 | T | 26.7 | Very low | 25.1 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -65.5 | 129.6 | 178.1 | 40.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1146 | D | 25.9 | Very low | 25 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 46.7 | 81.1 | 147.3 | -60 | -20 | 0 | 0 | 0 | 118.9 | S1148 | D1146-S1148 PolarHBondContact O-N 3.49Š| ||
| 1147 | A | 26.4 | Very low | 24.8 | Very low | 105 Ų | 105 | 135 Ų | 135 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 88.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S1149 | A1147-S1149 PolarHBondContact O-N 3.03Å; A1147-S1149 VanDerWaalsContact O-N 3.12Å | ||
| 1148 | S | 25.7 | Very low | 24.8 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | -65.6 | 106.7 | 170.4 | 57 | 0 | 0 | 0 | 0 | 110.3 | D1146 H1150 | D1146-S1148 PolarHBondContact O-N 3.49Å; S1148-H1150 PolarHBondContact O-N 3.14Å; S1148-H1150 VanDerWaalsContact O-N 3.09Å | ||
| 1149 | S | 23.5 | Very low | 24.5 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 92.7 | 173.4 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | A1147 S1151 | A1147-S1149 PolarHBondContact O-N 3.03Å; A1147-S1149 VanDerWaalsContact O-N 3.12Å; S1149-S1151 PolarHBondContact O-N 3.12Å | ||
| 1150 | H | 24.3 | Very low | 24.5 | Very low | 156 Ų | 156 | 138 Ų | 138 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -91.3 | 94 | 163.3 | -82.4 | -64.7 | 0 | 0 | 0 | 109.9 | S1148 F1152 | S1148-H1150 PolarHBondContact O-N 3.14Å; S1148-H1150 VanDerWaalsContact O-N 3.09Å; H1150-F1152 PolarHBondContact O-N 2.89Å; H1150-F1152 VanDerWaalsContact O-N 3.08Å | ||
| 1151 | S | 23.1 | Very low | 24.3 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -66.3 | 96.3 | 169 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | S1149 H1153 | S1149-S1151 PolarHBondContact O-N 3.12Å; S1151-H1153 PolarHBondContact O-N 2.98Å; S1151-H1153 VanDerWaalsContact O-N 3.09Å | ||
| 1152 | F | 21.7 | Very low | 24.2 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -74.5 | 91.4 | 167.4 | -91.7 | -88.6 | 0 | 0 | 0 | 110 | H1150 Q1154 | H1150-F1152 PolarHBondContact O-N 2.89Å; H1150-F1152 VanDerWaalsContact O-N 3.08Å; F1152-Q1154 PolarHBondContact O-N 3.49Å | ||
| 1153 | H | 22.1 | Very low | 24.1 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -75.2 | 76.9 | 161.3 | -88.6 | -63 | 0 | 0 | 0 | 109.7 | S1151 K1155 | S1151-H1153 PolarHBondContact O-N 2.98Å; S1151-H1153 VanDerWaalsContact O-N 3.09Å; H1153-K1155 PolarHBondContact O-N 2.82Å | ||
| 1154 | Q | 22.3 | Very low | 24 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -84.9 | 100.7 | 165 | -116.8 | 177.7 | 1.1 | 0 | 0 | 108.7 | F1152 S1156 | F1152-Q1154 PolarHBondContact O-N 3.49Å; Q1154-S1156 PolarHBondContact O-N 3.31Å; Q1154-S1156 VanDerWaalsContact O-N 3.1Å | ||
| 1155 | K | 23 | Very low | 23.9 | Very low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -59.2 | 109.8 | 166.9 | -81.2 | 179.3 | 174.8 | 176.8 | 0 | 108.5 | H1153 N1157 | H1153-K1155 PolarHBondContact O-N 2.82Å; K1155-N1157 PolarHBondContact O-N 2.97Å | ||
| 1156 | S | 23.5 | Very low | 23.6 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 92.7 | 171.4 | 55 | 0 | 0 | 0 | 0 | 109.8 | Q1154 F1158 | Q1154-S1156 PolarHBondContact O-N 3.31Å; Q1154-S1156 VanDerWaalsContact O-N 3.1Å; S1156-F1158 VanDerWaalsContact C-N 3.31Å; S1156-F1158 PolarHBondContact O-N 2.93Å | ||
| 1157 | N | 22.1 | Very low | 23.6 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -70.2 | 92.8 | 164 | -82.7 | -20.7 | 0 | 0 | 0 | 108 | K1155 S1159 | K1155-N1157 PolarHBondContact O-N 2.97Å; N1157-S1159 PolarHBondContact O-N 3.44Å | ||
| 1158 | F | 24.8 | Very low | 23.6 | Very low | 182 Ų | 182 | 146 Ų | 146 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -65 | 82.1 | 165.7 | -82 | -85.7 | 0 | 0 | 0 | 109.2 | S1156 K1160 | S1156-F1158 VanDerWaalsContact C-N 3.31Å; S1156-F1158 PolarHBondContact O-N 2.93Å; F1158-K1160 PolarHBondContact O-N 3.39Å; F1158-K1160 VanDerWaalsContact O-N 3.1Å | ||
| 1159 | S | 22.9 | Very low | 23.6 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -68.5 | 104.6 | 161.9 | 55 | 0 | 0 | 0 | 0 | 107.4 | N1157 S1161 | N1157-S1159 PolarHBondContact O-N 3.44Å; S1159-S1161 VanDerWaalsContact C-N 3.33Å; S1159-S1161 PolarHBondContact O-N 3.07Å | ||
| 1160 | K | 24.6 | Very low | 23.7 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -53.3 | 91.5 | 173 | -70.5 | 175.4 | 176.5 | 175.3 | 0 | 109.9 | F1158 K1162 | F1158-K1160 PolarHBondContact O-N 3.39Å; F1158-K1160 VanDerWaalsContact O-N 3.1Å; K1160-K1162 PolarHBondContact O-N 3.46Å | ||
| 1161 | S | 23.1 | Very low | 23.6 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -68.6 | 114.5 | 163 | 50.3 | 0 | 0 | 0 | 0 | 106.9 | S1159 I1163 | S1159-S1161 VanDerWaalsContact C-N 3.33Å; S1159-S1161 PolarHBondContact O-N 3.07Å; S1161-I1163 PolarHBondContact O-N 3.01Å | ||
| 1162 | K | 23.8 | Very low | 23.8 | Very low | 198 Ų | 198 | 155.5 Ų | 155.5 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -61.7 | 86.3 | 168.2 | -86.3 | 177.7 | 172.6 | 175.3 | 0 | 107.8 | K1160 V1164 | K1160-K1162 PolarHBondContact O-N 3.46Å; K1162-V1164 VanDerWaalsContact C-N 3.27Å; K1162-V1164 PolarHBondContact O-N 2.91Å | ||
| 1163 | I | 24.1 | Very low | 23.9 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | trans | -68.8 | 96.6 | 162.6 | -62.5 | 173.7 | 0 | 0 | 0 | 105.1 | S1161 S1165 | S1161-I1163 PolarHBondContact O-N 3.01Å; I1163-S1165 PolarHBondContact O-N 3.21Å | ||
| 1164 | V | 22.7 | Very low | 24.1 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | trans | -64.4 | 88 | 164.4 | 177.2 | 0 | 0 | 0 | 0 | 105.7 | K1162 R1166 | K1162-V1164 VanDerWaalsContact C-N 3.27Å; K1162-V1164 PolarHBondContact O-N 2.91Å; V1164-R1166 VanDerWaalsContact C-N 3.32Å; V1164-R1166 PolarHBondContact O-N 3.21Å | ||
| 1165 | S | 24.8 | Very low | 24.4 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -62.1 | 99 | 166.7 | 54.4 | 0 | 0 | 0 | 0 | 106.7 | I1163 S1167 | I1163-S1165 PolarHBondContact O-N 3.21Å; S1165-S1167 PolarHBondContact O-N 3.1Å | ||
| 1166 | R | 21.9 | Very low | 24.7 | Very low | 231 Ų | 231 | 146.6 Ų | 146.6 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -56.7 | 110 | 161.6 | -82.7 | -178.6 | 171.9 | 174.6 | -2.3 | 106.3 | V1164 L1168 | V1164-R1166 VanDerWaalsContact C-N 3.32Å; V1164-R1166 PolarHBondContact O-N 3.21Å; R1166-L1168 PolarHBondContact O-N 2.79Å | ||
| 1167 | S | 25.8 | Very low | 24.9 | Very low | 80 Ų | 80 | 149.7 Ų | 149.7 | 56% | 0.559 | 78% | 0.784 | S | S | * | * | trans | -53.1 | 124.3 | 164.7 | 45.5 | 0 | 0 | 0 | 0 | 107 | S1165 D1169 | S1165-S1167 PolarHBondContact O-N 3.1Å; S1167-D1169 WeakPolarHBondContact CB-OD2 3.43Å; S1167-D1169 PolarHBondContact O-N 3.18Å; S1167-D1169 PolarHBondContact OG-OD2 3.23Å | ||
| 1168 | L | 26.4 | Very low | 25.2 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 71.8 | 168 | -148.4 | 86.6 | 0 | 0 | 0 | 106.4 | R1166 G1170 | R1166-L1168 PolarHBondContact O-N 2.79Å; L1168-G1170 PolarHBondContact O-N 3.46Å | ||
| 1169 | D | 24.7 | Very low | 25.4 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 120.1 | 176.6 | -83.3 | -51.5 | 0 | 0 | 0 | 109.1 | S1167 | S1167-D1169 WeakPolarHBondContact CB-OD2 3.43Å; S1167-D1169 PolarHBondContact O-N 3.18Å; S1167-D1169 PolarHBondContact OG-OD2 3.23Å | ||
| 1170 | G | 26.5 | Very low | 25.6 | Very low | 62 Ų | 62 | 156.7 Ų | 156.7 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | 92.6 | 79.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1168 | L1168-G1170 PolarHBondContact O-N 3.46Š| ||
| 1171 | W | 22.2 | Very low | 25.8 | Very low | 256 Ų | 256 | 158.2 Ų | 158.2 | 97% | 0.97 | 80% | 0.795 | S | S | * | * | -142.2 | 95.8 | 124.6 | -92.8 | 10.3 | 0 | 0 | 0 | 107 | S1173 | W1171-S1173 PolarHBondContact O-N 3.48Š| |||
| 1172 | K | 26.4 | Very low | 26 | Very low | 205 Ų | 205 | 161 Ų | 161 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 100.9 | 167.3 | -77.2 | -178.7 | 176.7 | 177.9 | 0 | 107.1 | ||||
| 1173 | S | 25.1 | Very low | 26.3 | Very low | 103 Ų | 103 | 156.7 Ų | 156.7 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 121.6 | 164.5 | 42.4 | 0 | 0 | 0 | 0 | 108.6 | W1171 | W1171-S1173 PolarHBondContact O-N 3.48Š|
| 1174 | P | 26 | Very low | 26.6 | Very low | 112 Ų | 112 | 154.4 Ų | 154.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145.3 | -178 | 25.5 | -31.7 | 0 | 0 | 0 | 109.6 | K1176 | P1174-K1176 PolarHBondContact O-N 3.38Š|
| 1175 | P | 28.8 | Very low | 27 | Very low | 115 Ų | 115 | 156.6 Ų | 156.6 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 129.2 | -173.9 | 24.5 | -31 | 0 | 0 | 0 | 109.6 | N1177 | P1175-N1177 VanDerWaalsContact C-N 3.31Å; P1175-N1177 PolarHBondContact O-N 3.05Å |
| 1176 | K | 28.6 | Very low | 27.4 | Very low | 207 Ų | 207 | 159.7 Ų | 159.7 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | trans | -53.5 | 92.8 | 171.9 | -71.4 | 177.9 | 176.7 | 177.4 | 0 | 109.1 | P1174 R1178 | P1174-K1176 PolarHBondContact O-N 3.38Å; K1176-R1178 PolarHBondContact O-N 3.02Å | ||
| 1177 | N | 27.9 | Very low | 27.9 | Very low | 155 Ų | 155 | 157.8 Ų | 157.8 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 110.1 | 166.2 | -97.7 | -19.5 | 0 | 0 | 0 | 106.8 | P1175 S1179 | P1175-N1177 VanDerWaalsContact C-N 3.31Å; P1175-N1177 PolarHBondContact O-N 3.05Å; N1177-S1179 PolarHBondContact O-N 2.91Å | ||
| 1178 | R | 28.9 | Very low | 28.1 | Very low | 238 Ų | 238 | 159.8 Ų | 159.8 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -45.1 | 106.8 | 167.2 | -89.5 | 177.4 | 168.2 | 174 | -3.3 | 107.7 | K1176 R1180 | K1176-R1178 PolarHBondContact O-N 3.02Å; R1178-R1180 PolarHBondContact O-N 3.07Å | ||
| 1179 | S | 27.8 | Very low | 28.6 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -55.9 | 101.9 | 169.5 | 44.4 | 0 | 0 | 0 | 0 | 108 | N1177 R1181 | N1177-S1179 PolarHBondContact O-N 2.91Å; S1179-R1181 PolarHBondContact O-N 3.04Å; S1179-R1181 VanDerWaalsContact O-N 3.16Å | ||
| 1180 | R | 28 | Very low | 29 | Very low | 229 Ų | 229 | 162.5 Ų | 162.5 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -53.8 | 119.7 | 166.9 | -83.4 | -180 | 172.3 | 173.3 | -2.5 | 106.8 | R1178 I1182 | R1178-R1180 PolarHBondContact O-N 3.07Å; R1180-I1182 PolarHBondContact O-N 3.21Å | ||
| 1181 | R | 27.6 | Very low | 29.1 | Very low | 237 Ų | 237 | 167.5 Ų | 167.5 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | trans | -49.3 | 102.8 | 166.9 | -109.9 | 177 | 177.7 | 175.8 | -0.4 | 107.9 | S1179 T1183 | S1179-R1181 PolarHBondContact O-N 3.04Å; S1179-R1181 VanDerWaalsContact O-N 3.16Å; R1181-T1183 PolarHBondContact O-N 2.85Å | ||
| 1182 | I | 28 | Very low | 29.5 | Very low | 156 Ų | 156 | 162.8 Ų | 162.8 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | trans | -80.3 | 95.5 | 166.1 | -63.1 | 174.4 | 0 | 0 | 0 | 105 | R1180 S1184 | R1180-I1182 PolarHBondContact O-N 3.21Å; I1182-S1184 VanDerWaalsContact C-N 3.33Å; I1182-S1184 PolarHBondContact O-N 3.19Å | ||
| 1183 | T | 30.3 | Very low | 29.7 | Very low | 107 Ų | 107 | 160.5 Ų | 160.5 | 66% | 0.656 | 82% | 0.823 | S | S | * | * | trans | -68.6 | 93.4 | 164.6 | 40.3 | 0 | 0 | 0 | 0 | 107.7 | R1181 H1185 | R1181-T1183 PolarHBondContact O-N 2.85Å; T1183-H1185 PolarHBondContact O-N 3.4Å | ||
| 1184 | S | 31.2 | Very low | 29.9 | Very low | 93 Ų | 93 | 163.9 Ų | 163.9 | 65% | 0.65 | 83% | 0.83 | S | S | * | * | trans | -70 | 95.5 | 171.2 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | I1182 L1186 | I1182-S1184 VanDerWaalsContact C-N 3.33Å; I1182-S1184 PolarHBondContact O-N 3.19Å; S1184-L1186 VanDerWaalsContact C-N 3.33Å; S1184-L1186 PolarHBondContact O-N 3.24Å | ||
| 1185 | H | 30 | Very low | 30.2 | Very low | 172 Ų | 172 | 167.1 Ų | 167.1 | 80% | 0.796 | 84% | 0.836 | S | S | * | * | trans | -65.8 | 92.1 | 161.8 | -79.7 | -83.2 | 0 | 0 | 0 | 108.9 | T1183 K1187 | T1183-H1185 PolarHBondContact O-N 3.4Å; H1185-K1187 VanDerWaalsContact C-N 3.3Å; H1185-K1187 PolarHBondContact O-N 3.23Å | ||
| 1186 | L | 32.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 170.6 Ų | 170.6 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | trans | -69.8 | 93.4 | 161 | -90.8 | 150.7 | 0 | 0 | 0 | 107.4 | S1184 S1188 | S1184-L1186 VanDerWaalsContact C-N 3.33Å; S1184-L1186 PolarHBondContact O-N 3.24Å; L1186-S1188 PolarHBondContact O-N 3.3Å | ||
| 1187 | K | 33.2 | Very low | 30.4 | Very low | 191 Ų | 191 | 168 Ų | 168 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | trans | -60.5 | 114.4 | 166.5 | -85.4 | -179.5 | 172.9 | 179.8 | 0 | 108.3 | H1185 S1189 | H1185-K1187 VanDerWaalsContact C-N 3.3Å; H1185-K1187 PolarHBondContact O-N 3.23Å; K1187-S1189 PolarHBondContact O-N 3.03Å | ||
| 1188 | S | 28.9 | Very low | 30.6 | Very low | 122 Ų | 122 | 169 Ų | 169 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -65.3 | 108 | 157.1 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | L1186 | L1186-S1188 PolarHBondContact O-N 3.3Š| ||
| 1189 | S | 38.3 | Very low | 30.7 | Very low | 106 Ų | 106 | 163.3 Ų | 163.3 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -113.5 | 113.2 | 162.5 | 55.2 | 0 | 0 | 0 | 0 | 108 | K1187 | K1187-S1189 PolarHBondContact O-N 3.03Š| ||
| 1190 | Q | 32.4 | Very low | 31 | Very low | 265 Ų | 265 | 167.5 Ų | 167.5 | 100% | 1.238 | 84% | 0.835 | S | S | * | * | trans | -51.5 | 0 | 137.1 | -76.6 | 178.6 | -27.1 | 0 | 0 | 109.9 |
Retrieved 1,190 of 1,190 residues in 1580.9 ms
(Link to these results)