| 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 | 41.9 | Very low | 50.2 | Low | 241 Ų | 241 | 128.8 Ų | 128.8 | 100% | 1.187 | 77% | 0.771 | S | S | * | * | 0 | 90.2 | 0 | -78.1 | -56.6 | -155.3 | 0 | 0 | 108.9 | |||||
| 2 | S | 37.1 | Very low | 52.4 | Low | 123 Ų | 123 | 124.6 Ų | 124.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -151.2 | 123.5 | 168.4 | -51 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 3 | G | 39.7 | Very low | 54.2 | Low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 165 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 4 | P | 44.5 | Very low | 56.1 | Low | 135 Ų | 135 | 116.6 Ų | 116.6 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.5 | 163.5 | 28.8 | -33.5 | 0 | 0 | 0 | 109 | ||
| 5 | G | 41 | Very low | 58 | Low | 67 Ų | 67 | 114.1 Ų | 114.1 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -71 | 156.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 6 | Q | 42.6 | Very low | 59.8 | Low | 197 Ų | 197 | 113 Ų | 113 | 92% | 0.921 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136.6 | 168 | -66.5 | 165.1 | -58.3 | 0 | 0 | 109.4 | S8 | Q6-S8 PolarHBondContact O-N 3.47Š|
| 7 | D | 44.3 | Very low | 61.3 | Low | 167 Ų | 167 | 106.9 Ų | 106.9 | 89% | 0.893 | 63% | 0.634 | S | S | * | * | trans | -66.3 | 96.7 | 178.5 | -76.2 | -63.7 | 0 | 0 | 0 | 111.1 | E9 | D7-E9 PolarHBondContact O-N 2.85Å; D7-E9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | S | 54 | Low | 62.8 | Low | 110 Ų | 110 | 107.4 Ų | 107.4 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | -68.1 | 106.3 | 172.4 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | Q6 | Q6-S8 PolarHBondContact O-N 3.47Š| ||
| 9 | E | 60.4 | Low | 64.2 | Low | 81 Ų | 81 | 110.8 Ų | 110.8 | 38% | 0.379 | 63% | 0.628 | S | S | . | * | trans | -61.1 | 130.3 | -179.4 | -165.7 | 177.2 | -140.8 | 0 | 0 | 110.8 | D7 E11 K13 H67 | D7-E9 PolarHBondContact O-N 2.85Å; D7-E9 VanDerWaalsContact O-N 3.11Å; E9-E11 PolarHBondContact O-N 3.3Å; E9-K13 HydrophobicContact CG-CD 3.71Å; E9-K13 WeakPolarHBondContact OE1-CD 3.45Å; E9-K13 WeakPolarHBondContact OE1-CE 3.41Å; E9-K13 IonicContact OE1-NZ 2.72Å; E9-K13 PolarHBondContact OE1-NZ 3.17Å; E9-H67 IonicContact OE1-CE1 3.82Å; E9-H67 IonicContact OE2-CE1 2.72Å; E9-H67 PolarHBondContact OE2-CE1 3Å; E9-H67 VanDerWaalsContact OE2-CE1 3.27Å | ||
| 10 | P | 74 | Confident | 65.6 | Low | 81 Ų | 81 | 106.3 Ų | 106.3 | 53% | 0.526 | 60% | 0.602 | S | S | . | * | trans | -61.5 | 127 | -168.4 | 20.3 | -33.6 | 0 | 0 | 0 | 112.5 | A12 K13 | P10-A12 PolarHBondContact O-N 3.38Å; P10-K13 HydrophobicContact CG-CD 4.25Å; P10-K13 HydrophobicContact CG-CG 4.25Å; P10-K13 WeakPolarHBondContact O-CB 3.36Å; P10-K13 PolarHBondContact O-N 3.41Å | ||
| 11 | E | 72.7 | Confident | 66.8 | Low | 148 Ų | 148 | 104.6 Ų | 104.6 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -46.4 | -34.4 | -173.8 | -170.4 | -175.3 | -179.5 | 0 | 0 | 114.4 | E9 K13 V14 L15 | E9-E11 PolarHBondContact O-N 3.3Å; E11-K13 VanDerWaalsContact C-N 3.33Å; E11-K13 PolarHBondContact O-N 3.12Å; E11-V14 PolarHBondContact O-N 3.33Å; E11-L15 HydrophobicContact CG-CD1 4.16Å; E11-L15 WeakPolarHBondContact O-CG 3.33Å; E11-L15 PolarHBondContact O-N 2.95Å |
| 12 | A | 76.5 | Confident | 69.2 | Low | 78 Ų | 78 | 101.6 Ų | 101.6 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.9 | -34.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P10 L16 | P10-A12 PolarHBondContact O-N 3.38Å; A12-L16 PolarHBondContact O-N 3.01Å; A12-L16 VanDerWaalsContact O-N 3.14Å |
| 13 | K | 75.5 | Confident | 72 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 40% | 0.4 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -52.5 | 169.5 | -77.8 | -172.3 | 178.1 | -167.6 | 0 | 110.1 | E9 P10 E11 L15 L16 I17 | E9-K13 HydrophobicContact CG-CD 3.71Å; E9-K13 WeakPolarHBondContact OE1-CD 3.45Å; E9-K13 WeakPolarHBondContact OE1-CE 3.41Å; E9-K13 IonicContact OE1-NZ 2.72Å; E9-K13 PolarHBondContact OE1-NZ 3.17Å; P10-K13 HydrophobicContact CG-CD 4.25Å; P10-K13 HydrophobicContact CG-CG 4.25Å; P10-K13 WeakPolarHBondContact O-CB 3.36Å; P10-K13 PolarHBondContact O-N 3.41Å; E11-K13 VanDerWaalsContact C-N 3.33Å; E11-K13 PolarHBondContact O-N 3.12Å; K13-L15 PolarHBondContact O-N 3.24Å; K13-L16 CarbonylContact O-C 3.55Å; K13-L16 VanDerWaalsContact O-CA 3.32Å; K13-L16 WeakPolarHBondContact O-CA 3.43Å; K13-L16 VanDerWaalsContact O-CB 3.26Å; K13-L16 WeakPolarHBondContact O-CB 3.42Å; K13-L16 PolarHBondContact O-N 2.92Å; K13-I17 WeakPolarHBondContact O-CG1 3.45Å; K13-I17 PolarHBondContact O-N 3.32Å |
| 14 | V | 81.4 | Confident | 74.6 | Confident | 46 Ų | 46 | 94 Ų | 94 | 28% | 0.279 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.5 | -39 | -177.9 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | E11 K18 | E11-V14 PolarHBondContact O-N 3.33Å; V14-K18 HydrophobicContact CG1-CD 4.17Å; V14-K18 WeakPolarHBondContact O-CB 3.48Å; V14-K18 WeakPolarHBondContact O-CG 3.26Å; V14-K18 PolarHBondContact O-N 3.03Å; V14-K18 VanDerWaalsContact O-N 3.08Å |
| 15 | L | 84.6 | Confident | 77 | Confident | 79 Ų | 79 | 91 Ų | 91 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 172.2 | -75.2 | 166.1 | 0 | 0 | 0 | 113.4 | E11 K13 R19 | E11-L15 HydrophobicContact CG-CD1 4.16Å; E11-L15 WeakPolarHBondContact O-CG 3.33Å; E11-L15 PolarHBondContact O-N 2.95Å; K13-L15 PolarHBondContact O-N 3.24Å; L15-R19 WeakPolarHBondContact O-CD 3.47Å; L15-R19 WeakPolarHBondContact O-CG 3.41Å; L15-R19 PolarHBondContact O-N 3.45Å; L15-R19 VanDerWaalsContact O-N 3.16Å |
| 16 | L | 86.2 | Confident | 79.7 | Confident | 96 Ų | 96 | 92.9 Ų | 92.9 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 173.7 | -179.9 | 62.5 | 0 | 0 | 0 | 111.6 | A12 K13 K18 R19 L20 L66 | A12-L16 PolarHBondContact O-N 3.01Å; A12-L16 VanDerWaalsContact O-N 3.14Å; K13-L16 CarbonylContact O-C 3.55Å; K13-L16 VanDerWaalsContact O-CA 3.32Å; K13-L16 WeakPolarHBondContact O-CA 3.43Å; K13-L16 VanDerWaalsContact O-CB 3.26Å; K13-L16 WeakPolarHBondContact O-CB 3.42Å; K13-L16 PolarHBondContact O-N 2.92Å; L16-K18 PolarHBondContact O-N 2.78Å; L16-R19 PolarHBondContact O-N 3.43Å; L16-L20 WeakPolarHBondContact O-CB 3.23Å; L16-L20 PolarHBondContact O-N 2.72Å; L16-L66 HydrophobicContact CD2-CD2 4.28Å; L16-L66 HydrophobicContact CG-CD2 4.44Å |
| 17 | I | 85.9 | Confident | 82.2 | Confident | 10 Ų | 10 | 84 Ų | 84 | 5% | 0.051 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.9 | -51.8 | 175.4 | -50.2 | 162.9 | 0 | 0 | 0 | 109.9 | K13 R19 L20 Y21 L63 L66 H67 Y71 | K13-I17 WeakPolarHBondContact O-CG1 3.45Å; K13-I17 PolarHBondContact O-N 3.32Å; I17-R19 PolarHBondContact O-N 2.88Å; I17-L20 PolarHBondContact O-N 3.01Å; I17-Y21 PolarHBondContact O-N 3.15Å; I17-L63 HydrophobicContact CG2-CD1 4.13Å; I17-L66 HydrophobicContact CG1-CD2 4.25Å; I17-H67 VanDerWaalsContact CD1-CD2 3.4Å; I17-H67 WeakPolarHBondContact CD1-CD2 3.3Å; I17-H67 WeakPolarHBondContact CD1-NE2 3.27Å; I17-H67 VanDerWaalsContact CG1-CD2 3.44Å; I17-H67 WeakPolarHBondContact CG1-CD2 3.46Å; I17-H67 WeakPolarHBondContact CG1-NE2 3.3Å; I17-Y71 HydrophobicContact CG2-CD2 4.01Å; I17-Y71 HydrophobicContact CG2-CE2 3.56Å |
| 18 | K | 87.3 | Confident | 84.7 | Confident | 116 Ų | 116 | 76.9 Ų | 76.9 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.2 | -27.5 | -177.5 | -71.7 | 175.7 | -179.5 | 179.2 | 0 | 112.4 | V14 L16 R22 | V14-K18 HydrophobicContact CG1-CD 4.17Å; V14-K18 WeakPolarHBondContact O-CB 3.48Å; V14-K18 WeakPolarHBondContact O-CG 3.26Å; V14-K18 PolarHBondContact O-N 3.03Å; V14-K18 VanDerWaalsContact O-N 3.08Å; L16-K18 PolarHBondContact O-N 2.78Å; K18-R22 VanDerWaalsContact O-CD 3.25Å; K18-R22 WeakPolarHBondContact O-CD 3.45Å; K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 3.37Å |
| 19 | R | 90.4 | Very high | 86.7 | Confident | 171 Ų | 171 | 77.4 Ų | 77.4 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -75.8 | -43.2 | 170.2 | -71.7 | 167.5 | -174.4 | 179 | 3.4 | 112.3 | L15 L16 I17 R22 A23 | L15-R19 WeakPolarHBondContact O-CD 3.47Å; L15-R19 WeakPolarHBondContact O-CG 3.41Å; L15-R19 PolarHBondContact O-N 3.45Å; L15-R19 VanDerWaalsContact O-N 3.16Å; L16-R19 PolarHBondContact O-N 3.43Å; I17-R19 PolarHBondContact O-N 2.88Å; R19-R22 PolarHBondContact O-N 3.37Å; R19-A23 PolarHBondContact O-N 3.26Å; R19-A23 VanDerWaalsContact O-N 3.07Å |
| 20 | L | 91.8 | Very high | 88.4 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.2 | -48 | 179.7 | -179.1 | 56.4 | 0 | 0 | 0 | 111.6 | L16 I17 R22 A23 V24 L59 K62 L63 L66 | L16-L20 WeakPolarHBondContact O-CB 3.23Å; L16-L20 PolarHBondContact O-N 2.72Å; I17-L20 PolarHBondContact O-N 3.01Å; L20-R22 PolarHBondContact O-N 2.58Å; L20-A23 PolarHBondContact O-N 3.38Å; L20-A23 VanDerWaalsContact O-N 3.16Å; L20-V24 PolarHBondContact O-N 2.91Å; L20-L59 HydrophobicContact CD1-CB 4.05Å; L20-L59 HydrophobicContact CD1-CD2 3.54Å; L20-L59 HydrophobicContact CD1-CG 4.4Å; L20-K62 HydrophobicContact CD1-CB 4.42Å; L20-K62 HydrophobicContact CD2-CB 4.13Å; L20-L63 HydrophobicContact CD2-CB 3.91Å; L20-L63 HydrophobicContact CD2-CD1 4.09Å; L20-L63 HydrophobicContact CG-CB 4.28Å; L20-L63 HydrophobicContact CG-CD1 4.42Å; L20-L66 HydrophobicContact CD2-CD2 4.43Å |
| 21 | Y | 90.8 | Very high | 89.4 | Confident | 70 Ų | 70 | 74.1 Ų | 74.1 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 177 | -172.7 | -98.3 | 0 | 0 | 0 | 112.3 | I17 A23 V24 V25 L63 Y71 | I17-Y21 PolarHBondContact O-N 3.15Å; Y21-A23 VanDerWaalsContact C-N 3.35Å; Y21-A23 PolarHBondContact O-N 3.22Å; Y21-V24 WeakPolarHBondContact O-CB 3.42Å; Y21-V24 PolarHBondContact O-N 3.4Å; Y21-V25 HydrophobicContact CD1-CG2 4.13Å; Y21-V25 HydrophobicContact CE1-CG2 3.76Å; Y21-V25 WeakPolarHBondContact O-CG2 3.42Å; Y21-V25 PolarHBondContact O-N 2.86Å; Y21-L63 HydrophobicContact CD2-CD2 4.02Å; Y21-Y71 AromaticContact CD2-CD1 3.93Å; Y21-Y71 HydrophobicContact CD2-CD1 3.93Å; Y21-Y71 AromaticContact CD2-CE1 3.84Å; Y21-Y71 HydrophobicContact CD2-CE1 3.84Å; Y21-Y71 HydrophobicContact CE2-CD1 4.17Å; Y21-Y71 HydrophobicContact CE2-CE1 4.11Å; Y21-Y71 HydrophobicContact CG-CE1 4.35Å |
| 22 | R | 93.4 | Very high | 90.4 | Very high | 179 Ų | 179 | 70 Ų | 70 | 68% | 0.675 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.3 | -42.6 | 172.5 | -75.8 | 171 | -172.7 | 178.4 | 1.3 | 112.2 | K18 R19 L20 V24 V25 E26 | K18-R22 VanDerWaalsContact O-CD 3.25Å; K18-R22 WeakPolarHBondContact O-CD 3.45Å; K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 3.37Å; R19-R22 PolarHBondContact O-N 3.37Å; L20-R22 PolarHBondContact O-N 2.58Å; R22-V24 VanDerWaalsContact C-N 3.34Å; R22-V24 PolarHBondContact O-N 2.91Å; R22-V25 PolarHBondContact O-N 2.79Å; R22-E26 WeakPolarHBondContact O-CB 3.5Å; R22-E26 PolarHBondContact O-N 2.82Å |
| 23 | A | 95.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -32.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R19 L20 Y21 S27 L59 | R19-A23 PolarHBondContact O-N 3.26Å; R19-A23 VanDerWaalsContact O-N 3.07Å; L20-A23 PolarHBondContact O-N 3.38Å; L20-A23 VanDerWaalsContact O-N 3.16Å; Y21-A23 VanDerWaalsContact C-N 3.35Å; Y21-A23 PolarHBondContact O-N 3.22Å; A23-S27 WeakPolarHBondContact O-CB 3.38Å; A23-S27 PolarHBondContact O-N 2.84Å; A23-S27 VanDerWaalsContact O-N 3.12Å; A23-S27 PolarHBondContact O-OG 3.1Å; A23-L59 HydrophobicContact CB-CD1 3.98Å; A23-L59 HydrophobicContact CB-CD2 4.33Å |
| 24 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -57.4 | 168.5 | 168.2 | 0 | 0 | 0 | 0 | 109.7 | L20 Y21 R22 E26 S27 V28 L56 L59 L78 | L20-V24 PolarHBondContact O-N 2.91Å; Y21-V24 WeakPolarHBondContact O-CB 3.42Å; Y21-V24 PolarHBondContact O-N 3.4Å; R22-V24 VanDerWaalsContact C-N 3.34Å; R22-V24 PolarHBondContact O-N 2.91Å; V24-E26 PolarHBondContact O-N 3.16Å; V24-S27 WeakPolarHBondContact O-CB 3.4Å; V24-S27 PolarHBondContact O-N 3.08Å; V24-V28 HydrophobicContact CG1-CG2 4.38Å; V24-V28 WeakPolarHBondContact O-CG2 3.36Å; V24-V28 PolarHBondContact O-N 3.43Å; V24-L56 HydrophobicContact CB-CD1 4.34Å; V24-L56 HydrophobicContact CG1-CD1 3.84Å; V24-L56 HydrophobicContact CG2-CD1 4.49Å; V24-L59 HydrophobicContact CG2-CB 3.65Å; V24-L78 HydrophobicContact CG1-CD1 3.88Å |
| 25 | V | 94.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | -178.2 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | Y21 R22 S27 V28 H29 | Y21-V25 HydrophobicContact CD1-CG2 4.13Å; Y21-V25 HydrophobicContact CE1-CG2 3.76Å; Y21-V25 WeakPolarHBondContact O-CG2 3.42Å; Y21-V25 PolarHBondContact O-N 2.86Å; R22-V25 PolarHBondContact O-N 2.79Å; V25-S27 VanDerWaalsContact C-N 3.31Å; V25-S27 PolarHBondContact O-N 3.33Å; V25-V28 PolarHBondContact O-N 3.21Å; V25-H29 PolarHBondContact O-N 3.3Å |
| 26 | E | 96.3 | Very high | 92.7 | Very high | 108 Ų | 108 | 67 Ų | 67 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176.1 | -167.3 | -164.6 | 150.8 | 0 | 0 | 112.2 | R22 V24 K30 | R22-E26 WeakPolarHBondContact O-CB 3.5Å; R22-E26 PolarHBondContact O-N 2.82Å; V24-E26 PolarHBondContact O-N 3.16Å; E26-K30 WeakPolarHBondContact O-CD 3.22Å; E26-K30 WeakPolarHBondContact O-CG 3.45Å; E26-K30 PolarHBondContact O-N 3.27Å; E26-K30 WeakPolarHBondContact OE1-CE 3.31Å; E26-K30 IonicContact OE1-NZ 3.78Å; E26-K30 PolarHBondContact OE1-NZ 2.64Å |
| 27 | S | 96.7 | Very high | 92.7 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.7 | -38.4 | 176.4 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | A23 V24 V25 K30 L31 | A23-S27 WeakPolarHBondContact O-CB 3.38Å; A23-S27 PolarHBondContact O-N 2.84Å; A23-S27 VanDerWaalsContact O-N 3.12Å; A23-S27 PolarHBondContact O-OG 3.1Å; V24-S27 WeakPolarHBondContact O-CB 3.4Å; V24-S27 PolarHBondContact O-N 3.08Å; V25-S27 VanDerWaalsContact C-N 3.31Å; V25-S27 PolarHBondContact O-N 3.33Å; S27-K30 PolarHBondContact O-N 3.31Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.63Å |
| 28 | V | 96 | Very high | 92.3 | Very high | 16 Ų | 16 | 74.2 Ų | 74.2 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.9 | -52.2 | 174.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V24 V25 K30 L31 D32 L56 L78 K82 | V24-V28 HydrophobicContact CG1-CG2 4.38Å; V24-V28 WeakPolarHBondContact O-CG2 3.36Å; V24-V28 PolarHBondContact O-N 3.43Å; V25-V28 PolarHBondContact O-N 3.21Å; V28-K30 VanDerWaalsContact C-N 3.25Å; V28-K30 PolarHBondContact O-N 3.38Å; V28-L31 WeakPolarHBondContact O-CA 3.3Å; V28-L31 WeakPolarHBondContact O-CB 3.39Å; V28-L31 PolarHBondContact O-N 3.38Å; V28-D32 PolarHBondContact O-N 2.94Å; V28-L56 HydrophobicContact CG2-CD1 3.89Å; V28-L56 HydrophobicContact CG2-CD2 3.8Å; V28-L78 HydrophobicContact CG2-CD2 4.29Å; V28-K82 HydrophobicContact CG1-CD 4.37Å; V28-K82 HydrophobicContact CG1-CG 4.1Å; V28-K82 HydrophobicContact CG2-CG 4.21Å |
| 29 | H | 96.3 | Very high | 92.2 | Very high | 121 Ų | 121 | 70.7 Ų | 70.7 | 56% | 0.56 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58 | -36.7 | -179.3 | -178.5 | 60.7 | 0 | 0 | 0 | 113 | V25 D32 V33 | V25-H29 PolarHBondContact O-N 3.3Å; H29-D32 WeakPolarHBondContact CA-OD2 3.48Å; H29-D32 PolarHBondContact O-N 2.73Å; H29-V33 WeakPolarHBondContact O-CG2 3.41Å; H29-V33 PolarHBondContact O-N 2.63Å |
| 30 | K | 95.6 | Very high | 92 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 174.4 | -71.2 | 168.8 | -172 | 170.9 | 0 | 112.5 | E26 S27 V28 I34 L52 | E26-K30 WeakPolarHBondContact O-CD 3.22Å; E26-K30 WeakPolarHBondContact O-CG 3.45Å; E26-K30 PolarHBondContact O-N 3.27Å; E26-K30 WeakPolarHBondContact OE1-CE 3.31Å; E26-K30 IonicContact OE1-NZ 3.78Å; E26-K30 PolarHBondContact OE1-NZ 2.64Å; S27-K30 PolarHBondContact O-N 3.31Å; V28-K30 VanDerWaalsContact C-N 3.25Å; V28-K30 PolarHBondContact O-N 3.38Å; K30-I34 VanDerWaalsContact O-CD1 3.3Å; K30-I34 WeakPolarHBondContact O-CD1 3.12Å; K30-I34 WeakPolarHBondContact O-CG1 3.25Å; K30-I34 PolarHBondContact O-N 3.33Å; K30-L52 HydrophobicContact CB-CD2 3.66Å; K30-L52 HydrophobicContact CD-CD1 4.47Å |
| 31 | L | 95.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71 | -38.4 | 174.6 | -67 | 168.8 | 0 | 0 | 0 | 112.1 | S27 V28 V33 I34 I35 L52 R53 L56 K82 | S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 2.63Å; V28-L31 WeakPolarHBondContact O-CA 3.3Å; V28-L31 WeakPolarHBondContact O-CB 3.39Å; V28-L31 PolarHBondContact O-N 3.38Å; L31-V33 VanDerWaalsContact C-N 3.3Å; L31-V33 PolarHBondContact O-N 3.01Å; L31-I34 HydrophobicContact CD2-CD1 4.28Å; L31-I34 WeakPolarHBondContact O-CB 3.32Å; L31-I34 PolarHBondContact O-N 2.73Å; L31-I34 VanDerWaalsContact O-N 3.07Å; L31-I35 WeakPolarHBondContact O-CB 3.49Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.23Å; L31-L52 HydrophobicContact CD2-CB 4.43Å; L31-L52 HydrophobicContact CD2-CD2 3.67Å; L31-L52 HydrophobicContact CD2-CG 3.91Å; L31-L52 HydrophobicContact CG-CD2 3.87Å; L31-L52 HydrophobicContact CG-CG 4.08Å; L31-R53 HydrophobicContact CD1-CG 3.84Å; L31-R53 HydrophobicContact CD2-CG 3.45Å; L31-R53 VanDerWaalsContact CD2-CG 3.45Å; L31-R53 HydrophobicContact CG-CG 4.32Å; L31-L56 HydrophobicContact CD1-CD2 3.56Å; L31-K82 HydrophobicContact CD1-CB 4.33Å |
| 32 | D | 94.7 | Very high | 91.7 | Very high | 61 Ų | 61 | 67.4 Ų | 67.4 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.9 | -44.1 | 175.2 | -64.3 | -45.7 | 0 | 0 | 0 | 111.5 | V28 H29 I34 I35 G36 K82 | V28-D32 PolarHBondContact O-N 2.94Å; H29-D32 WeakPolarHBondContact CA-OD2 3.48Å; H29-D32 PolarHBondContact O-N 2.73Å; D32-I34 VanDerWaalsContact C-N 3.31Å; D32-I34 PolarHBondContact O-N 3.45Å; D32-I35 PolarHBondContact O-N 3.3Å; D32-G36 PolarHBondContact O-N 2.9Å; D32-K82 VanDerWaalsContact OD1-CE 3.27Å; D32-K82 WeakPolarHBondContact OD1-CE 3.36Å; D32-K82 IonicContact OD1-NZ 2.63Å; D32-K82 PolarHBondContact OD1-NZ 3.14Å |
| 33 | V | 94.1 | Very high | 91.7 | Very high | 102 Ų | 102 | 61.1 Ų | 61.1 | 62% | 0.618 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.2 | -34.3 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | H29 L31 | H29-V33 WeakPolarHBondContact O-CG2 3.41Å; H29-V33 PolarHBondContact O-N 2.63Å; L31-V33 VanDerWaalsContact C-N 3.3Å; L31-V33 PolarHBondContact O-N 3.01Å |
| 34 | I | 92.4 | Very high | 91.6 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.6 | -42.7 | 176.3 | -66.7 | 157.1 | 0 | 0 | 0 | 110.9 | K30 L31 D32 S37 S40 E43 V44 N49 L52 | K30-I34 VanDerWaalsContact O-CD1 3.3Å; K30-I34 WeakPolarHBondContact O-CD1 3.12Å; K30-I34 WeakPolarHBondContact O-CG1 3.25Å; K30-I34 PolarHBondContact O-N 3.33Å; L31-I34 HydrophobicContact CD2-CD1 4.28Å; L31-I34 WeakPolarHBondContact O-CB 3.32Å; L31-I34 PolarHBondContact O-N 2.73Å; L31-I34 VanDerWaalsContact O-N 3.07Å; D32-I34 VanDerWaalsContact C-N 3.31Å; D32-I34 PolarHBondContact O-N 3.45Å; I34-S37 WeakPolarHBondContact O-CB 3.44Å; I34-S37 PolarHBondContact O-N 3.43Å; I34-S40 WeakPolarHBondContact O-CB 3.38Å; I34-E43 HydrophobicContact CG2-CB 3.91Å; I34-V44 HydrophobicContact CG2-CG1 4.16Å; I34-N49 HydrophobicContact CD1-CB 4.28Å; I34-N49 WeakPolarHBondContact CD1-OD1 3.46Å; I34-L52 HydrophobicContact CD1-CD2 3.93Å |
| 35 | I | 91.2 | Very high | 91.5 | Very high | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.3 | -35.2 | -176.7 | -70.6 | 164.8 | 0 | 0 | 0 | 111.3 | L31 D32 S37 S40 V44 E86 V90 | L31-I35 WeakPolarHBondContact O-CB 3.49Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.23Å; D32-I35 PolarHBondContact O-N 3.3Å; I35-S37 PolarHBondContact O-N 3.49Å; I35-S37 VanDerWaalsContact O-N 3.16Å; I35-S40 VanDerWaalsContact O-CB 3.24Å; I35-S40 WeakPolarHBondContact O-CB 3.07Å; I35-S40 PolarHBondContact O-OG 3.03Å; I35-V44 HydrophobicContact CG1-CG1 4.29Å; I35-E86 HydrophobicContact CD1-CB 3.99Å; I35-E86 WeakPolarHBondContact CD1-OE2 3.27Å; I35-V90 HydrophobicContact CG2-CG2 3.95Å |
| 36 | G | 87.3 | Confident | 91.5 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -3.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | D32 | D32-G36 PolarHBondContact O-N 2.9Š|
| 37 | S | 86.8 | Confident | 91.4 | Very high | 45 Ų | 45 | 61 Ų | 61 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -72.7 | 140.6 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | I34 I35 S39 S40 | I34-S37 WeakPolarHBondContact O-CB 3.44Å; I34-S37 PolarHBondContact O-N 3.43Å; I35-S37 PolarHBondContact O-N 3.49Å; I35-S37 VanDerWaalsContact O-N 3.16Å; S37-S39 PolarHBondContact O-N 3.31Å; S37-S39 VanDerWaalsContact O-N 3.09Å; S37-S39 PolarHBondContact OG-N 3.37Å; S37-S39 PolarHBondContact OG-OG 3.12Å; S37-S40 WeakPolarHBondContact O-CB 3.47Å; S37-S40 PolarHBondContact O-N 3.24Å; S37-S40 PolarHBondContact O-OG 2.89Å; S37-S40 VanDerWaalsContact O-OG 3.13Å |
| 38 | K | 78.1 | Confident | 91.4 | Very high | 211 Ų | 211 | 65.6 Ų | 65.6 | 92% | 0.917 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.8 | 170.7 | -65.5 | -171.5 | 178.6 | -174.7 | 0 | 113.9 | ||
| 39 | S | 83.6 | Confident | 91.3 | Very high | 43 Ų | 43 | 65.7 Ų | 65.7 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 17.5 | 174.6 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | S37 Y41 R42 E43 | S37-S39 PolarHBondContact O-N 3.31Å; S37-S39 VanDerWaalsContact O-N 3.09Å; S37-S39 PolarHBondContact OG-N 3.37Å; S37-S39 PolarHBondContact OG-OG 3.12Å; S39-Y41 PolarHBondContact O-N 3.23Å; S39-Y41 VanDerWaalsContact O-N 3.08Å; S39-R42 PolarHBondContact O-N 3.07Å; S39-E43 PolarHBondContact O-N 3.21Å |
| 40 | S | 88 | Confident | 91.3 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -49.5 | -39 | -173.4 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | I34 I35 S37 R42 E43 V44 | I34-S40 WeakPolarHBondContact O-CB 3.38Å; I35-S40 VanDerWaalsContact O-CB 3.24Å; I35-S40 WeakPolarHBondContact O-CB 3.07Å; I35-S40 PolarHBondContact O-OG 3.03Å; S37-S40 WeakPolarHBondContact O-CB 3.47Å; S37-S40 PolarHBondContact O-N 3.24Å; S37-S40 PolarHBondContact O-OG 2.89Å; S37-S40 VanDerWaalsContact O-OG 3.13Å; S40-R42 PolarHBondContact O-N 3.39Å; S40-R42 VanDerWaalsContact O-N 3.08Å; S40-E43 PolarHBondContact O-N 2.94Å; S40-V44 WeakPolarHBondContact O-CG1 3.35Å; S40-V44 WeakPolarHBondContact O-CG2 3.39Å; S40-V44 PolarHBondContact O-N 3.22Å |
| 41 | Y | 88.6 | Confident | 91.3 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 9% | 0.09 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.1 | -23.5 | 176.4 | 74.5 | -93.2 | 0 | 0 | 0 | 114.7 | S39 N94 H97 L104 | S39-Y41 PolarHBondContact O-N 3.23Å; S39-Y41 VanDerWaalsContact O-N 3.08Å; Y41-N94 HydrophobicContact CD1-CB 4.16Å; Y41-N94 WeakPolarHBondContact CD1-OD1 3.23Å; Y41-N94 HydrophobicContact CG-CB 4.01Å; Y41-H97 HydrophobicContact CD2-CB 4.27Å; Y41-H97 AromaticContact CE1-CD2 3.96Å; Y41-H97 HydrophobicContact CE2-CB 3.76Å; Y41-H97 AromaticContact CZ-CD2 3.97Å; Y41-L104 HydrophobicContact CD2-CD2 3.81Å; Y41-L104 HydrophobicContact CE2-CD2 4.35Å; Y41-L104 VanDerWaalsContact O-CD1 3.28Å; Y41-L104 WeakPolarHBondContact O-CD1 3.36Å |
| 42 | R | 87.4 | Confident | 91.4 | Very high | 158 Ų | 158 | 63.6 Ų | 63.6 | 60% | 0.596 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -92.9 | -38.5 | 170.1 | -53.8 | -169.9 | -174.4 | -153.4 | -2 | 112.1 | S39 S40 | S39-R42 PolarHBondContact O-N 3.07Å; S40-R42 PolarHBondContact O-N 3.39Å; S40-R42 VanDerWaalsContact O-N 3.08Å |
| 43 | E | 91.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 61 Ų | 61 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | -176.9 | -62 | -59.1 | 124.9 | 0 | 0 | 112.6 | I34 S39 S40 F45 K46 N49 | I34-E43 HydrophobicContact CG2-CB 3.91Å; S39-E43 PolarHBondContact O-N 3.21Å; S40-E43 PolarHBondContact O-N 2.94Å; E43-F45 PolarHBondContact O-N 3.4Å; E43-F45 VanDerWaalsContact O-N 3.12Å; E43-K46 PolarHBondContact O-N 3.36Å; E43-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 VanDerWaalsContact OE1-CE 3.23Å; E43-K46 WeakPolarHBondContact OE1-CE 3.36Å; E43-K46 IonicContact OE1-NZ 2.82Å; E43-K46 PolarHBondContact OE1-NZ 2.79Å; E43-K46 VanDerWaalsContact OE2-CE 3.24Å; E43-K46 WeakPolarHBondContact OE2-CE 3.42Å; E43-K46 IonicContact OE2-NZ 3.96Å; E43-K46 PolarHBondContact OE2-NZ 2.78Å; E43-N49 PolarHBondContact O-ND2 2.84Å |
| 44 | V | 93.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.7 | -175.3 | -65.1 | 0 | 0 | 0 | 0 | 113.6 | I34 I35 S40 R53 V87 V90 | I34-V44 HydrophobicContact CG2-CG1 4.16Å; I35-V44 HydrophobicContact CG1-CG1 4.29Å; S40-V44 WeakPolarHBondContact O-CG1 3.35Å; S40-V44 WeakPolarHBondContact O-CG2 3.39Å; S40-V44 PolarHBondContact O-N 3.22Å; V44-R53 VanDerWaalsContact O-CZ 3.23Å; V44-R53 PolarHBondContact O-NH1 3.07Å; V44-R53 PolarHBondContact O-NH2 3.09Å; V44-V87 HydrophobicContact CB-CG1 4.27Å; V44-V87 HydrophobicContact CG2-CG1 4.01Å; V44-V90 HydrophobicContact CG2-CG1 4.41Å |
| 45 | F | 94.3 | Very high | 91.8 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 8.1 | 177.4 | -68.1 | -71 | 0 | 0 | 0 | 114.8 | E43 I50 V87 I91 L104 A107 Y108 H111 | E43-F45 PolarHBondContact O-N 3.4Å; E43-F45 VanDerWaalsContact O-N 3.12Å; F45-I50 VanDerWaalsContact O-CD1 3.31Å; F45-I50 WeakPolarHBondContact O-CD1 3.45Å; F45-V87 HydrophobicContact CE1-CG1 4.32Å; F45-V87 HydrophobicContact CE2-CG1 4.18Å; F45-V87 HydrophobicContact CZ-CG1 3.66Å; F45-I91 HydrophobicContact CE2-CD1 3.83Å; F45-I91 HydrophobicContact CE2-CG1 3.79Å; F45-I91 HydrophobicContact CZ-CG1 4.31Å; F45-L104 HydrophobicContact CD2-CD1 3.54Å; F45-L104 HydrophobicContact CE2-CD1 4.1Å; F45-L104 HydrophobicContact CG-CD1 4.39Å; F45-A107 HydrophobicContact CB-CB 4.05Å; F45-A107 HydrophobicContact CD1-CB 3.67Å; F45-A107 HydrophobicContact CE1-CB 4.36Å; F45-A107 HydrophobicContact CG-CB 3.83Å; F45-Y108 HydrophobicContact CZ-CD2 4.06Å; F45-H111 HydrophobicContact CE1-CB 3.83Å; F45-H111 HydrophobicContact CZ-CB 4.48Å |
| 46 | K | 93.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -69.1 | 145 | 170.4 | -65.1 | -173.7 | -179.8 | 168.4 | 0 | 111.7 | E43 E48 N49 I50 | E43-K46 PolarHBondContact O-N 3.36Å; E43-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 VanDerWaalsContact OE1-CE 3.23Å; E43-K46 WeakPolarHBondContact OE1-CE 3.36Å; E43-K46 IonicContact OE1-NZ 2.82Å; E43-K46 PolarHBondContact OE1-NZ 2.79Å; E43-K46 VanDerWaalsContact OE2-CE 3.24Å; E43-K46 WeakPolarHBondContact OE2-CE 3.42Å; E43-K46 IonicContact OE2-NZ 3.96Å; E43-K46 PolarHBondContact OE2-NZ 2.78Å; K46-E48 VanDerWaalsContact C-N 3.3Å; K46-E48 HydrophobicContact CB-CG 4.42Å; K46-E48 WeakPolarHBondContact CB-OE1 3.27Å; K46-E48 VanDerWaalsContact CD-OE1 3.28Å; K46-E48 WeakPolarHBondContact CD-OE1 3.15Å; K46-E48 PolarHBondContact O-N 3.34Å; K46-N49 PolarHBondContact O-N 3.13Å; K46-I50 WeakPolarHBondContact O-CG1 3.39Å; K46-I50 PolarHBondContact O-N 3Å |
| 47 | P | 94.9 | Very high | 92.6 | Very high | 103 Ų | 103 | 60 Ų | 60 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -54.7 | -39.9 | -175.6 | -27.7 | 35.7 | 0 | 0 | 0 | 114.6 | N49 I50 S51 | P47-N49 VanDerWaalsContact C-N 3.33Å; P47-N49 PolarHBondContact O-N 3.36Å; P47-I50 PolarHBondContact O-N 2.87Å; P47-S51 VanDerWaalsContact O-CB 3.31Å; P47-S51 WeakPolarHBondContact O-CB 3.3Å; P47-S51 PolarHBondContact O-N 3.49Å |
| 48 | E | 95.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.8 | 61.1 | -84.2 | -160.5 | 0 | 0 | 112.4 | K46 S51 L52 | K46-E48 VanDerWaalsContact C-N 3.3Å; K46-E48 HydrophobicContact CB-CG 4.42Å; K46-E48 WeakPolarHBondContact CB-OE1 3.27Å; K46-E48 VanDerWaalsContact CD-OE1 3.28Å; K46-E48 WeakPolarHBondContact CD-OE1 3.15Å; K46-E48 PolarHBondContact O-N 3.34Å; E48-S51 WeakPolarHBondContact O-CB 3.5Å; E48-S51 PolarHBondContact O-N 3.1Å; E48-L52 PolarHBondContact O-N 3.35Å |
| 49 | N | 95.2 | Very high | 93.9 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -81.3 | -32 | -178.4 | -63.9 | -22.7 | 0 | 0 | 0 | 111.6 | I34 E43 K46 P47 R53 | I34-N49 HydrophobicContact CD1-CB 4.28Å; I34-N49 WeakPolarHBondContact CD1-OD1 3.46Å; E43-N49 PolarHBondContact O-ND2 2.84Å; K46-N49 PolarHBondContact O-N 3.13Å; P47-N49 VanDerWaalsContact C-N 3.33Å; P47-N49 PolarHBondContact O-N 3.36Å; N49-R53 PolarHBondContact O-N 3.11Å; N49-R53 PolarHBondContact O-NH1 2.87Å |
| 50 | I | 95.5 | Very high | 94.5 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 32% | 0.318 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 166.6 | -67.1 | 168.8 | 0 | 0 | 0 | 110.1 | F45 K46 P47 R53 N54 | F45-I50 VanDerWaalsContact O-CD1 3.31Å; F45-I50 WeakPolarHBondContact O-CD1 3.45Å; K46-I50 WeakPolarHBondContact O-CG1 3.39Å; K46-I50 PolarHBondContact O-N 3Å; P47-I50 PolarHBondContact O-N 2.87Å; I50-R53 PolarHBondContact O-N 2.76Å; I50-N54 WeakPolarHBondContact O-CB 3.23Å; I50-N54 PolarHBondContact O-N 2.9Å; I50-N54 PolarHBondContact O-ND2 2.82Å |
| 51 | S | 96.7 | Very high | 94.9 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | P47 E48 N54 K55 | P47-S51 VanDerWaalsContact O-CB 3.31Å; P47-S51 WeakPolarHBondContact O-CB 3.3Å; P47-S51 PolarHBondContact O-N 3.49Å; E48-S51 WeakPolarHBondContact O-CB 3.5Å; E48-S51 PolarHBondContact O-N 3.1Å; S51-N54 PolarHBondContact O-N 2.87Å; S51-K55 WeakPolarHBondContact O-CB 3.47Å; S51-K55 PolarHBondContact O-N 3.22Å |
| 52 | L | 96.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.7 | -179.8 | 61.4 | 0 | 0 | 0 | 112.7 | K30 L31 I34 E48 K55 L56 | K30-L52 HydrophobicContact CB-CD2 3.66Å; K30-L52 HydrophobicContact CD-CD1 4.47Å; L31-L52 HydrophobicContact CD2-CB 4.43Å; L31-L52 HydrophobicContact CD2-CD2 3.67Å; L31-L52 HydrophobicContact CD2-CG 3.91Å; L31-L52 HydrophobicContact CG-CD2 3.87Å; L31-L52 HydrophobicContact CG-CG 4.08Å; I34-L52 HydrophobicContact CD1-CD2 3.93Å; E48-L52 PolarHBondContact O-N 3.35Å; L52-K55 PolarHBondContact O-N 2.99Å; L52-L56 PolarHBondContact O-N 2.89Å |
| 53 | R | 96.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.5 | -72.7 | -163.6 | -51.1 | -76.4 | 17.3 | 112.8 | L31 V44 N49 I50 K55 L56 R57 V83 | L31-R53 HydrophobicContact CD1-CG 3.84Å; L31-R53 HydrophobicContact CD2-CG 3.45Å; L31-R53 VanDerWaalsContact CD2-CG 3.45Å; L31-R53 HydrophobicContact CG-CG 4.32Å; V44-R53 VanDerWaalsContact O-CZ 3.23Å; V44-R53 PolarHBondContact O-NH1 3.07Å; V44-R53 PolarHBondContact O-NH2 3.09Å; N49-R53 PolarHBondContact O-N 3.11Å; N49-R53 PolarHBondContact O-NH1 2.87Å; I50-R53 PolarHBondContact O-N 2.76Å; R53-K55 PolarHBondContact O-N 3.11Å; R53-L56 PolarHBondContact O-N 3.09Å; R53-R57 WeakPolarHBondContact O-CB 3.26Å; R53-R57 PolarHBondContact O-N 3.22Å; R53-V83 HydrophobicContact CB-CG1 4.31Å |
| 54 | N | 96.6 | Very high | 95.4 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59 | -36.7 | 171.5 | -80.9 | -37.8 | 0 | 0 | 0 | 111.5 | I50 S51 R57 E58 | I50-N54 WeakPolarHBondContact O-CB 3.23Å; I50-N54 PolarHBondContact O-N 2.9Å; I50-N54 PolarHBondContact O-ND2 2.82Å; S51-N54 PolarHBondContact O-N 2.87Å; N54-R57 WeakPolarHBondContact O-CB 3.33Å; N54-R57 PolarHBondContact O-N 2.76Å; N54-R57 PolarHBondContact OD1-NH2 3.13Å; N54-E58 PolarHBondContact O-N 3.2Å |
| 55 | K | 96.9 | Very high | 95.3 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.8 | -43.6 | 177.6 | -165.9 | 50.7 | 165.2 | -171 | 0 | 112.7 | S51 L52 R53 R57 E58 L59 | S51-K55 WeakPolarHBondContact O-CB 3.47Å; S51-K55 PolarHBondContact O-N 3.22Å; L52-K55 PolarHBondContact O-N 2.99Å; R53-K55 PolarHBondContact O-N 3.11Å; K55-R57 VanDerWaalsContact C-N 3.3Å; K55-R57 PolarHBondContact O-N 3.24Å; K55-E58 IonicContact NZ-OE1 3.64Å; K55-E58 PolarHBondContact NZ-OE1 3.17Å; K55-E58 IonicContact NZ-OE2 2.74Å; K55-E58 PolarHBondContact NZ-OE2 2.81Å; K55-E58 WeakPolarHBondContact O-CB 3.41Å; K55-E58 PolarHBondContact O-N 2.79Å; K55-L59 HydrophobicContact CG-CD1 4.2Å; K55-L59 VanDerWaalsContact O-CG 3.24Å; K55-L59 WeakPolarHBondContact O-CG 3.25Å; K55-L59 PolarHBondContact O-N 3.41Å; K55-L59 VanDerWaalsContact O-N 3.1Å |
| 56 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 171.9 | 176.2 | 57.3 | 0 | 0 | 0 | 111 | V24 V28 L31 L52 R53 E58 L59 C60 K82 V83 | V24-L56 HydrophobicContact CB-CD1 4.34Å; V24-L56 HydrophobicContact CG1-CD1 3.84Å; V24-L56 HydrophobicContact CG2-CD1 4.49Å; V28-L56 HydrophobicContact CG2-CD1 3.89Å; V28-L56 HydrophobicContact CG2-CD2 3.8Å; L31-L56 HydrophobicContact CD1-CD2 3.56Å; L52-L56 PolarHBondContact O-N 2.89Å; R53-L56 PolarHBondContact O-N 3.09Å; L56-E58 PolarHBondContact O-N 3.38Å; L56-L59 PolarHBondContact O-N 3.1Å; L56-C60 PolarHBondContact O-N 2.76Å; L56-K82 HydrophobicContact CD2-CB 3.61Å; L56-K82 HydrophobicContact CD2-CG 4.47Å; L56-V83 HydrophobicContact CD2-CG2 4.3Å; L56-V83 HydrophobicContact CG-CG2 4.27Å |
| 57 | R | 97.3 | Very high | 94.7 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 22% | 0.219 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 176.5 | -171.1 | 177.7 | 64.4 | 167.2 | -0.9 | 112.6 | R53 N54 K55 L59 V61 L79 V83 Y84 F118 | R53-R57 WeakPolarHBondContact O-CB 3.26Å; R53-R57 PolarHBondContact O-N 3.22Å; N54-R57 WeakPolarHBondContact O-CB 3.33Å; N54-R57 PolarHBondContact O-N 2.76Å; N54-R57 PolarHBondContact OD1-NH2 3.13Å; K55-R57 VanDerWaalsContact C-N 3.3Å; K55-R57 PolarHBondContact O-N 3.24Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 2.75Å; R57-V61 WeakPolarHBondContact O-CB 3.49Å; R57-V61 VanDerWaalsContact O-CG2 3.31Å; R57-V61 WeakPolarHBondContact O-CG2 3.27Å; R57-V61 PolarHBondContact O-N 3.3Å; R57-L79 HydrophobicContact CG-CD1 4.07Å; R57-L79 HydrophobicContact CG-CD2 4.11Å; R57-L79 HydrophobicContact CG-CG 4.1Å; R57-V83 HydrophobicContact CB-CG1 4.27Å; R57-V83 HydrophobicContact CB-CG2 4.06Å; R57-Y84 PolarHBondContact NH1-OH 3.44Å; R57-Y84 VanDerWaalsContact NH1-OH 3.14Å; R57-F118 HydrophobicContact CG-CD2 4.48Å; R57-F118 HydrophobicContact CG-CE1 4.28Å; R57-F118 HydrophobicContact CG-CE2 3.87Å; R57-F118 HydrophobicContact CG-CZ 3.77Å |
| 58 | E | 96.2 | Very high | 94.4 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 173.4 | -78.7 | -176.3 | -140.1 | 0 | 0 | 112.9 | N54 K55 L56 K62 | N54-E58 PolarHBondContact O-N 3.2Å; K55-E58 IonicContact NZ-OE1 3.64Å; K55-E58 PolarHBondContact NZ-OE1 3.17Å; K55-E58 IonicContact NZ-OE2 2.74Å; K55-E58 PolarHBondContact NZ-OE2 2.81Å; K55-E58 WeakPolarHBondContact O-CB 3.41Å; K55-E58 PolarHBondContact O-N 2.79Å; L56-E58 PolarHBondContact O-N 3.38Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 WeakPolarHBondContact O-CD 3.09Å; E58-K62 WeakPolarHBondContact O-CG 3.36Å; E58-K62 PolarHBondContact O-N 2.83Å; E58-K62 IonicContact OE2-NZ 2.64Å; E58-K62 PolarHBondContact OE2-NZ 2.71Å |
| 59 | L | 96.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.9 | -41.3 | -174.2 | -65.4 | 166.3 | 0 | 0 | 0 | 110.9 | L20 A23 V24 K55 L56 R57 K62 L63 | L20-L59 HydrophobicContact CD1-CB 4.05Å; L20-L59 HydrophobicContact CD1-CD2 3.54Å; L20-L59 HydrophobicContact CD1-CG 4.4Å; A23-L59 HydrophobicContact CB-CD1 3.98Å; A23-L59 HydrophobicContact CB-CD2 4.33Å; V24-L59 HydrophobicContact CG2-CB 3.65Å; K55-L59 HydrophobicContact CG-CD1 4.2Å; K55-L59 VanDerWaalsContact O-CG 3.24Å; K55-L59 WeakPolarHBondContact O-CG 3.25Å; K55-L59 PolarHBondContact O-N 3.41Å; K55-L59 VanDerWaalsContact O-N 3.1Å; L56-L59 PolarHBondContact O-N 3.1Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 2.75Å; L59-K62 PolarHBondContact O-N 3.43Å; L59-L63 WeakPolarHBondContact O-CB 3.38Å; L59-L63 PolarHBondContact O-N 2.87Å |
| 60 | C | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 172.1 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | L56 K62 L63 M64 A75 L79 | L56-C60 PolarHBondContact O-N 2.76Å; C60-K62 VanDerWaalsContact C-N 3.29Å; C60-K62 PolarHBondContact O-N 2.92Å; C60-L63 WeakPolarHBondContact O-CA 3.22Å; C60-L63 WeakPolarHBondContact O-CB 3.26Å; C60-L63 PolarHBondContact O-N 2.83Å; C60-M64 WeakPolarHBondContact O-CG 3.46Å; C60-M64 PolarHBondContact O-N 3.19Å; C60-A75 HydrophobicContact CB-CB 4.24Å; C60-A75 WeakPolarHBondContact CB-O 3.25Å; C60-L79 HydrophobicContact CB-CB 3.91Å; C60-L79 HydrophobicContact CB-CD1 3.95Å; C60-L79 HydrophobicContact CB-CG 4.19Å |
| 61 | V | 95.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 22% | 0.218 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -41.9 | 176.8 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | R57 L63 M64 F65 L79 F118 | R57-V61 WeakPolarHBondContact O-CB 3.49Å; R57-V61 VanDerWaalsContact O-CG2 3.31Å; R57-V61 WeakPolarHBondContact O-CG2 3.27Å; R57-V61 PolarHBondContact O-N 3.3Å; V61-L63 VanDerWaalsContact C-N 3.29Å; V61-L63 PolarHBondContact O-N 3.14Å; V61-M64 PolarHBondContact O-N 3.23Å; V61-F65 HydrophobicContact CG1-CD2 4.08Å; V61-F65 HydrophobicContact CG1-CE2 4.03Å; V61-F65 VanDerWaalsContact O-CD2 3.25Å; V61-F65 WeakPolarHBondContact O-CD2 3.5Å; V61-F65 PolarHBondContact O-N 2.67Å; V61-L79 HydrophobicContact CG2-CD1 3.78Å; V61-F118 HydrophobicContact CG2-CE2 4.19Å; V61-F118 HydrophobicContact CG2-CZ 3.81Å |
| 62 | K | 93.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 41.7 Ų | 41.7 | 47% | 0.47 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66 | -30.7 | 175.8 | -74.6 | 162.8 | -173 | 166.2 | 0 | 112.8 | L20 E58 L59 C60 L66 | L20-K62 HydrophobicContact CD1-CB 4.42Å; L20-K62 HydrophobicContact CD2-CB 4.13Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 WeakPolarHBondContact O-CD 3.09Å; E58-K62 WeakPolarHBondContact O-CG 3.36Å; E58-K62 PolarHBondContact O-N 2.83Å; E58-K62 IonicContact OE2-NZ 2.64Å; E58-K62 PolarHBondContact OE2-NZ 2.71Å; L59-K62 PolarHBondContact O-N 3.43Å; C60-K62 VanDerWaalsContact C-N 3.29Å; C60-K62 PolarHBondContact O-N 2.92Å; K62-L66 VanDerWaalsContact O-CB 3.26Å; K62-L66 WeakPolarHBondContact O-CB 3.3Å; K62-L66 PolarHBondContact O-N 3.06Å |
| 63 | L | 92.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.7 | -43 | 178.2 | -175.8 | 59 | 0 | 0 | 0 | 111.1 | I17 L20 Y21 L59 C60 V61 F65 L66 H67 Y71 A75 | I17-L63 HydrophobicContact CG2-CD1 4.13Å; L20-L63 HydrophobicContact CD2-CB 3.91Å; L20-L63 HydrophobicContact CD2-CD1 4.09Å; L20-L63 HydrophobicContact CG-CB 4.28Å; L20-L63 HydrophobicContact CG-CD1 4.42Å; Y21-L63 HydrophobicContact CD2-CD2 4.02Å; L59-L63 WeakPolarHBondContact O-CB 3.38Å; L59-L63 PolarHBondContact O-N 2.87Å; C60-L63 WeakPolarHBondContact O-CA 3.22Å; C60-L63 WeakPolarHBondContact O-CB 3.26Å; C60-L63 PolarHBondContact O-N 2.83Å; V61-L63 VanDerWaalsContact C-N 3.29Å; V61-L63 PolarHBondContact O-N 3.14Å; L63-F65 PolarHBondContact O-N 2.76Å; L63-L66 PolarHBondContact O-N 3.09Å; L63-H67 PolarHBondContact O-N 3.42Å; L63-Y71 HydrophobicContact CD1-CD1 4.43Å; L63-Y71 HydrophobicContact CD1-CD2 4.28Å; L63-Y71 HydrophobicContact CD1-CG 3.93Å; L63-Y71 HydrophobicContact CD2-CD1 4.31Å; L63-Y71 HydrophobicContact CD2-CG 4.38Å; L63-Y71 HydrophobicContact CG-CG 4.27Å; L63-A75 HydrophobicContact CB-CB 4.23Å; L63-A75 HydrophobicContact CD2-CB 4.14Å; L63-A75 HydrophobicContact CG-CB 4.26Å |
| 64 | M | 92.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.8 | -50 | 175.2 | -69 | 167 | 64.5 | 0 | 0 | 112.5 | C60 V61 P68 A75 E76 L122 W163 | C60-M64 WeakPolarHBondContact O-CG 3.46Å; C60-M64 PolarHBondContact O-N 3.19Å; V61-M64 PolarHBondContact O-N 3.23Å; M64-P68 WeakPolarHBondContact O-CA 3.33Å; M64-P68 WeakPolarHBondContact O-CB 3.2Å; M64-P68 WeakPolarHBondContact O-CD 3.43Å; M64-P68 VanDerWaalsContact O-N 3.16Å; M64-A75 HydrophobicContact CG-CB 3.63Å; M64-E76 HydrophobicContact CE-CG 3.63Å; M64-E76 HydrophobicContact CG-CG 4.43Å; M64-E76 HydrophobicContact SD-CG 4.05Å; M64-L122 HydrophobicContact CE-CD1 4.39Å; M64-L122 HydrophobicContact CE-CD2 4.33Å; M64-W163 HydrophobicContact CB-CH2 4.11Å; M64-W163 HydrophobicContact CB-CZ2 3.97Å; M64-W163 HydrophobicContact CE-CH2 4.18Å; M64-W163 HydrophobicContact CE-CZ2 3.89Å; M64-W163 HydrophobicContact CG-CZ2 4.32Å |
| 65 | F | 90.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 47.5 Ų | 47.5 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 3 | -177.7 | -60.6 | -70.1 | 0 | 0 | 0 | 114.6 | V61 L63 L122 Y125 I126 H129 Y130 W163 | V61-F65 HydrophobicContact CG1-CD2 4.08Å; V61-F65 HydrophobicContact CG1-CE2 4.03Å; V61-F65 VanDerWaalsContact O-CD2 3.25Å; V61-F65 WeakPolarHBondContact O-CD2 3.5Å; V61-F65 PolarHBondContact O-N 2.67Å; L63-F65 PolarHBondContact O-N 2.76Å; F65-L122 HydrophobicContact CE2-CD1 4Å; F65-L122 HydrophobicContact CZ-CD1 3.99Å; F65-Y125 HydrophobicContact CD1-CE1 4.14Å; F65-Y125 AromaticContact CD2-CE1 4Å; F65-Y125 HydrophobicContact CD2-CE1 4Å; F65-Y125 HydrophobicContact CE1-CD1 4.02Å; F65-Y125 AromaticContact CE1-CE1 3.82Å; F65-Y125 HydrophobicContact CE1-CE1 3.82Å; F65-Y125 AromaticContact CE2-CD1 3.83Å; F65-Y125 HydrophobicContact CE2-CD1 3.83Å; F65-Y125 AromaticContact CE2-CE1 3.67Å; F65-Y125 HydrophobicContact CE2-CE1 3.67Å; F65-Y125 HydrophobicContact CG-CE1 4.24Å; F65-Y125 AromaticContact CZ-CD1 3.51Å; F65-Y125 HydrophobicContact CZ-CD1 3.51Å; F65-Y125 AromaticContact CZ-CE1 3.59Å; F65-Y125 HydrophobicContact CZ-CE1 3.59Å; F65-I126 HydrophobicContact CE1-CG1 3.92Å; F65-I126 HydrophobicContact CZ-CD1 4.45Å; F65-I126 HydrophobicContact CZ-CG1 3.63Å; F65-H129 AromaticContact CD1-CD2 3.71Å; F65-H129 AromaticContact CD1-NE2 3.83Å; F65-H129 AromaticContact CE1-CD2 3.99Å; F65-Y130 HydrophobicContact CD1-CE2 4.2Å; F65-Y130 HydrophobicContact CE1-CE2 4.06Å; F65-W163 HydrophobicContact CD1-CH2 4.36Å; F65-W163 HydrophobicContact CE1-CH2 4.08Å; F65-W163 HydrophobicContact CE1-CZ3 4.32Å |
| 66 | L | 88.5 | Confident | 92.7 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 34% | 0.335 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -44.2 | 172.6 | -165.2 | 73.8 | 0 | 0 | 0 | 111 | L16 I17 L20 K62 L63 | L16-L66 HydrophobicContact CD2-CD2 4.28Å; L16-L66 HydrophobicContact CG-CD2 4.44Å; I17-L66 HydrophobicContact CG1-CD2 4.25Å; L20-L66 HydrophobicContact CD2-CD2 4.43Å; K62-L66 VanDerWaalsContact O-CB 3.26Å; K62-L66 WeakPolarHBondContact O-CB 3.3Å; K62-L66 PolarHBondContact O-N 3.06Å; L63-L66 PolarHBondContact O-N 3.09Å |
| 67 | H | 86.1 | Confident | 92.5 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -137.4 | 72.4 | 176.8 | -72 | -88.8 | 0 | 0 | 0 | 110.5 | E9 I17 L63 V69 D70 Y71 G72 | E9-H67 IonicContact OE1-CE1 3.82Å; E9-H67 IonicContact OE2-CE1 2.72Å; E9-H67 PolarHBondContact OE2-CE1 3Å; E9-H67 VanDerWaalsContact OE2-CE1 3.27Å; I17-H67 VanDerWaalsContact CD1-CD2 3.4Å; I17-H67 WeakPolarHBondContact CD1-CD2 3.3Å; I17-H67 WeakPolarHBondContact CD1-NE2 3.27Å; I17-H67 VanDerWaalsContact CG1-CD2 3.44Å; I17-H67 WeakPolarHBondContact CG1-CD2 3.46Å; I17-H67 WeakPolarHBondContact CG1-NE2 3.3Å; L63-H67 PolarHBondContact O-N 3.42Å; H67-V69 PolarHBondContact O-N 3.42Å; H67-D70 IonicContact ND1-OD2 2.86Å; H67-Y71 HydrophobicContact CB-CD2 3.8Å; H67-Y71 PolarHBondContact O-N 2.76Å; H67-G72 PolarHBondContact O-N 3.32Å |
| 68 | P | 89.1 | Confident | 92.4 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -57.1 | -44.1 | -177.7 | 19.9 | -34 | 0 | 0 | 0 | 113.8 | M64 G72 E160 W163 | M64-P68 WeakPolarHBondContact O-CA 3.33Å; M64-P68 WeakPolarHBondContact O-CB 3.2Å; M64-P68 WeakPolarHBondContact O-CD 3.43Å; M64-P68 VanDerWaalsContact O-N 3.16Å; P68-G72 WeakPolarHBondContact O-CA 3.24Å; P68-G72 PolarHBondContact O-N 3.15Å; P68-E160 HydrophobicContact CG-CB 4.46Å; P68-E160 HydrophobicContact CG-CG 3.82Å; P68-W163 HydrophobicContact CB-CD2 3.52Å; P68-W163 HydrophobicContact CB-CE3 3.35Å; P68-W163 HydrophobicContact CB-CG 4.15Å; P68-W163 HydrophobicContact CB-CH2 4.16Å; P68-W163 HydrophobicContact CB-CZ2 4.31Å; P68-W163 HydrophobicContact CB-CZ3 3.7Å |
| 69 | V | 89.6 | Confident | 92.5 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 38% | 0.382 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -66.5 | -49.9 | -176.5 | -176 | 0 | 0 | 0 | 0 | 111.7 | H67 R159 E160 | H67-V69 PolarHBondContact O-N 3.42Å; V69-R159 HydrophobicContact CG1-CB 4.35Å; V69-R159 HydrophobicContact CG2-CB 3.89Å; V69-E160 HydrophobicContact CG2-CG 3.66Å |
| 70 | D | 88.3 | Confident | 92.5 | Very high | 114 Ų | 114 | 40 Ų | 40 | 61% | 0.61 | 19% | 0.188 | S | C | * | . | I | π-helix | trans | -85 | -32.1 | -171 | -40.4 | -67.1 | 0 | 0 | 0 | 113.2 | H67 | H67-D70 IonicContact ND1-OD2 2.86Å |
| 71 | Y | 89.7 | Confident | 92.5 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 26% | 0.263 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -124.4 | -8.9 | -172.5 | -68.1 | -80.3 | 0 | 0 | 0 | 114.6 | I17 Y21 L63 H67 K74 A75 | I17-Y71 HydrophobicContact CG2-CD2 4.01Å; I17-Y71 HydrophobicContact CG2-CE2 3.56Å; Y21-Y71 AromaticContact CD2-CD1 3.93Å; Y21-Y71 HydrophobicContact CD2-CD1 3.93Å; Y21-Y71 AromaticContact CD2-CE1 3.84Å; Y21-Y71 HydrophobicContact CD2-CE1 3.84Å; Y21-Y71 HydrophobicContact CE2-CD1 4.17Å; Y21-Y71 HydrophobicContact CE2-CE1 4.11Å; Y21-Y71 HydrophobicContact CG-CE1 4.35Å; L63-Y71 HydrophobicContact CD1-CD1 4.43Å; L63-Y71 HydrophobicContact CD1-CD2 4.28Å; L63-Y71 HydrophobicContact CD1-CG 3.93Å; L63-Y71 HydrophobicContact CD2-CD1 4.31Å; L63-Y71 HydrophobicContact CD2-CG 4.38Å; L63-Y71 HydrophobicContact CG-CG 4.27Å; H67-Y71 HydrophobicContact CB-CD2 3.8Å; H67-Y71 PolarHBondContact O-N 2.76Å; Y71-K74 PolarHBondContact O-N 3.06Å; Y71-A75 VanDerWaalsContact O-CB 3.23Å; Y71-A75 WeakPolarHBondContact O-CB 3.36Å; Y71-A75 PolarHBondContact O-N 3.41Å |
| 72 | G | 91.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -57.3 | -61.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H67 P68 K74 A75 E76 | H67-G72 PolarHBondContact O-N 3.32Å; P68-G72 WeakPolarHBondContact O-CA 3.24Å; P68-G72 PolarHBondContact O-N 3.15Å; G72-K74 VanDerWaalsContact C-N 3.28Å; G72-K74 PolarHBondContact O-N 3.18Å; G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 2.9Å; G72-E76 WeakPolarHBondContact O-CG 3.47Å; G72-E76 PolarHBondContact O-N 3.18Å |
| 73 | R | 92.6 | Very high | 92.7 | Very high | 134 Ų | 134 | 36 Ų | 36 | 51% | 0.506 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -53.2 | -43.6 | 179.5 | -177.1 | -178.2 | 179.3 | 179.4 | 0.7 | 112.2 | E76 E77 D594 | R73-E76 WeakPolarHBondContact CA-OE1 3.43Å; R73-E76 PolarHBondContact N-OE1 2.81Å; R73-E76 PolarHBondContact O-N 2.89Å; R73-E77 WeakPolarHBondContact O-CB 3.33Å; R73-E77 PolarHBondContact O-N 2.88Å; R73-D594 IonicContact CZ-OD2 3.52Å; R73-D594 IonicContact NH2-OD2 2.86Å; R73-D594 PolarHBondContact NH2-OD2 2.65Å |
| 74 | K | 92.3 | Very high | 92.9 | Very high | 93 Ų | 93 | 36.1 Ų | 36.1 | 40% | 0.404 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.8 | -32.6 | -179.1 | -164 | 161.3 | -169.5 | 156.6 | 0 | 112.3 | Y71 G72 L78 | Y71-K74 PolarHBondContact O-N 3.06Å; G72-K74 VanDerWaalsContact C-N 3.28Å; G72-K74 PolarHBondContact O-N 3.18Å; K74-L78 HydrophobicContact CG-CD1 4.42Å; K74-L78 WeakPolarHBondContact O-CB 3.39Å; K74-L78 VanDerWaalsContact O-CG 3.24Å; K74-L78 WeakPolarHBondContact O-CG 3.49Å; K74-L78 PolarHBondContact O-N 3.48Å; K74-L78 VanDerWaalsContact O-N 3.11Å |
| 75 | A | 95.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.6 | -39 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C60 L63 M64 Y71 G72 L79 | C60-A75 HydrophobicContact CB-CB 4.24Å; C60-A75 WeakPolarHBondContact CB-O 3.25Å; L63-A75 HydrophobicContact CB-CB 4.23Å; L63-A75 HydrophobicContact CD2-CB 4.14Å; L63-A75 HydrophobicContact CG-CB 4.26Å; M64-A75 HydrophobicContact CG-CB 3.63Å; Y71-A75 VanDerWaalsContact O-CB 3.23Å; Y71-A75 WeakPolarHBondContact O-CB 3.36Å; Y71-A75 PolarHBondContact O-N 3.41Å; G72-A75 WeakPolarHBondContact O-CB 3.47Å; G72-A75 PolarHBondContact O-N 2.9Å; A75-L79 WeakPolarHBondContact O-CB 3.47Å; A75-L79 PolarHBondContact O-N 2.81Å |
| 76 | E | 94.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59 | -52.7 | 171.2 | -69.6 | 159.3 | -111.6 | 0 | 0 | 111.4 | M64 G72 R73 L78 L79 W80 W163 R170 | M64-E76 HydrophobicContact CE-CG 3.63Å; M64-E76 HydrophobicContact CG-CG 4.43Å; M64-E76 HydrophobicContact SD-CG 4.05Å; G72-E76 WeakPolarHBondContact O-CG 3.47Å; G72-E76 PolarHBondContact O-N 3.18Å; R73-E76 WeakPolarHBondContact CA-OE1 3.43Å; R73-E76 PolarHBondContact N-OE1 2.81Å; R73-E76 PolarHBondContact O-N 2.89Å; E76-L78 PolarHBondContact O-N 3.28Å; E76-L79 WeakPolarHBondContact O-CB 3.33Å; E76-L79 PolarHBondContact O-N 3.23Å; E76-L79 VanDerWaalsContact O-N 3.15Å; E76-W80 PolarHBondContact O-N 3.45Å; E76-W163 PolarHBondContact OE1-NE1 3.4Å; E76-R170 IonicContact OE1-NH1 2.68Å; E76-R170 WeakPolarHBondContact OE2-CD 3.44Å; E76-R170 IonicContact OE2-CZ 2.68Å; E76-R170 IonicContact OE2-NE 2.63Å; E76-R170 IonicContact OE2-NH1 3.85Å; E76-R170 PolarHBondContact OE2-NH1 3.3Å |
| 77 | E | 93.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 24% | 0.238 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | -180 | -177.5 | -147.5 | 134 | 0 | 0 | 111.2 | R73 L79 W80 R81 | R73-E77 WeakPolarHBondContact O-CB 3.33Å; R73-E77 PolarHBondContact O-N 2.88Å; E77-L79 VanDerWaalsContact C-N 3.3Å; E77-L79 PolarHBondContact O-N 3.32Å; E77-W80 PolarHBondContact O-N 3.06Å; E77-R81 WeakPolarHBondContact O-CB 3.27Å; E77-R81 PolarHBondContact O-N 2.89Å; E77-R81 IonicContact OE1-CZ 2.83Å; E77-R81 IonicContact OE1-NH1 3.96Å; E77-R81 PolarHBondContact OE1-NH1 3.5Å; E77-R81 IonicContact OE1-NH2 2.61Å; E77-R81 PolarHBondContact OE1-NH2 3.31Å |
| 78 | L | 95.6 | Very high | 94.1 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 9% | 0.094 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -33.9 | 177.1 | -73.3 | 173.1 | 0 | 0 | 0 | 112.5 | V24 V28 K74 E76 K82 | V24-L78 HydrophobicContact CG1-CD1 3.88Å; V28-L78 HydrophobicContact CG2-CD2 4.29Å; K74-L78 HydrophobicContact CG-CD1 4.42Å; K74-L78 WeakPolarHBondContact O-CB 3.39Å; K74-L78 VanDerWaalsContact O-CG 3.24Å; K74-L78 WeakPolarHBondContact O-CG 3.49Å; K74-L78 PolarHBondContact O-N 3.48Å; K74-L78 VanDerWaalsContact O-N 3.11Å; E76-L78 PolarHBondContact O-N 3.28Å; L78-K82 HydrophobicContact CD2-CG 4.46Å; L78-K82 VanDerWaalsContact O-CB 3.29Å; L78-K82 WeakPolarHBondContact O-CB 3.45Å; L78-K82 PolarHBondContact O-N 3.5Å |
| 79 | L | 97.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -55.8 | 175 | -163.3 | 168.2 | 0 | 0 | 0 | 110 | R57 C60 V61 A75 E76 E77 V83 Y84 F118 Y119 | R57-L79 HydrophobicContact CG-CD1 4.07Å; R57-L79 HydrophobicContact CG-CD2 4.11Å; R57-L79 HydrophobicContact CG-CG 4.1Å; C60-L79 HydrophobicContact CB-CB 3.91Å; C60-L79 HydrophobicContact CB-CD1 3.95Å; C60-L79 HydrophobicContact CB-CG 4.19Å; V61-L79 HydrophobicContact CG2-CD1 3.78Å; A75-L79 WeakPolarHBondContact O-CB 3.47Å; A75-L79 PolarHBondContact O-N 2.81Å; E76-L79 WeakPolarHBondContact O-CB 3.33Å; E76-L79 PolarHBondContact O-N 3.23Å; E76-L79 VanDerWaalsContact O-N 3.15Å; E77-L79 VanDerWaalsContact C-N 3.3Å; E77-L79 PolarHBondContact O-N 3.32Å; L79-V83 HydrophobicContact CD2-CB 4.38Å; L79-V83 HydrophobicContact CD2-CG2 4.33Å; L79-V83 HydrophobicContact CG-CG2 4.28Å; L79-V83 WeakPolarHBondContact O-CA 3.47Å; L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.17Å; L79-Y84 HydrophobicContact CD2-CD2 4.16Å; L79-Y84 HydrophobicContact CD2-CE2 3.84Å; L79-F118 HydrophobicContact CD1-CE1 4.05Å; L79-F118 HydrophobicContact CD1-CZ 3.85Å; L79-F118 HydrophobicContact CD2-CD1 4.48Å; L79-F118 HydrophobicContact CD2-CE1 3.64Å; L79-F118 HydrophobicContact CD2-CZ 4.2Å; L79-Y119 WeakPolarHBondContact CD2-OH 3.48Å |
| 80 | W | 97.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 32 Ų | 32 | 3% | 0.034 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -56.8 | -54.8 | 177.8 | 175.9 | -121.6 | 0 | 0 | 0 | 111.5 | E76 E77 K82 Y84 Y85 Y119 Y174 D177 L178 | E76-W80 PolarHBondContact O-N 3.45Å; E77-W80 PolarHBondContact O-N 3.06Å; W80-K82 PolarHBondContact O-N 2.97Å; W80-Y84 HydrophobicContact CE3-CD2 4.43Å; W80-Y84 HydrophobicContact CE3-CG 4.46Å; W80-Y84 PolarHBondContact O-N 3.05Å; W80-Y85 HydrophobicContact CZ2-CD2 4.38Å; W80-Y85 AromaticContact NE1-CD2 3.99Å; W80-Y85 PolarHBondContact O-N 3.41Å; W80-Y119 WeakPolarHBondContact CA-OH 3.5Å; W80-Y119 AromaticContact CE3-CE2 3.86Å; W80-Y119 HydrophobicContact CE3-CE2 3.86Å; W80-Y119 AromaticContact CE3-CZ 3.97Å; W80-Y119 HydrophobicContact CZ3-CE2 4.12Å; W80-Y174 HydrophobicContact CB-CD1 4.49Å; W80-Y174 HydrophobicContact CB-CD2 4.4Å; W80-Y174 HydrophobicContact CB-CE1 4.09Å; W80-Y174 HydrophobicContact CB-CE2 3.98Å; W80-Y174 AromaticContact CD1-CD1 3.83Å; W80-Y174 AromaticContact CD1-CE1 3.37Å; W80-Y174 AromaticContact CD1-CZ 3.89Å; W80-Y174 AromaticContact CD2-CD1 3.47Å; W80-Y174 HydrophobicContact CD2-CD1 3.47Å; W80-Y174 VanDerWaalsContact CD2-CD1 3.47Å; W80-Y174 HydrophobicContact CD2-CD2 4.39Å; W80-Y174 AromaticContact CD2-CE1 3.81Å; W80-Y174 HydrophobicContact CD2-CE1 3.81Å; W80-Y174 AromaticContact CD2-CG 3.8Å; W80-Y174 HydrophobicContact CD2-CG 3.8Å; W80-Y174 AromaticContact CE2-CD1 3.45Å; W80-Y174 VanDerWaalsContact CE2-CD1 3.45Å; W80-Y174 AromaticContact CE2-CE1 3.85Å; W80-Y174 AromaticContact CE3-CD1 3.97Å; W80-Y174 HydrophobicContact CE3-CD1 3.97Å; W80-Y174 HydrophobicContact CE3-CD2 4.42Å; W80-Y174 AromaticContact CE3-CG 3.84Å; W80-Y174 HydrophobicContact CE3-CG 3.84Å; W80-Y174 AromaticContact CG-CD1 3.71Å; W80-Y174 HydrophobicContact CG-CD1 3.71Å; W80-Y174 HydrophobicContact CG-CD2 4.41Å; W80-Y174 AromaticContact CG-CE1 3.5Å; W80-Y174 HydrophobicContact CG-CE1 3.5Å; W80-Y174 HydrophobicContact CG-CE2 4.21Å; W80-Y174 HydrophobicContact CG-CG 4.18Å; W80-Y174 AromaticContact CG-CZ 3.77Å; W80-Y174 HydrophobicContact CH2-CD1 4.38Å; W80-Y174 AromaticContact CZ2-CD1 3.93Å; W80-Y174 HydrophobicContact CZ2-CD1 3.93Å; W80-Y174 HydrophobicContact CZ3-CD1 4.4Å; W80-Y174 HydrophobicContact CZ3-CG 4.25Å; W80-Y174 AromaticContact NE1-CD1 3.67Å; W80-Y174 AromaticContact NE1-CE1 3.56Å; W80-D177 HydrophobicContact CH2-CB 3.66Å; W80-D177 HydrophobicContact CZ2-CB 3.66Å; W80-L178 HydrophobicContact CH2-CD2 4.43Å; W80-L178 HydrophobicContact CH2-CG 4.07Å; W80-L178 HydrophobicContact CZ3-CD1 4.2Å; W80-L178 HydrophobicContact CZ3-CD2 4.25Å; W80-L178 HydrophobicContact CZ3-CG 3.96Å |
| 81 | R | 96.6 | Very high | 94.7 | Very high | 39 Ų | 39 | 26.6 Ų | 26.6 | 15% | 0.147 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -60.5 | -52 | -173.4 | -171.7 | 168.1 | 64.4 | -136.5 | -16.5 | 112.3 | E77 E86 S591 | E77-R81 WeakPolarHBondContact O-CB 3.27Å; E77-R81 PolarHBondContact O-N 2.89Å; E77-R81 IonicContact OE1-CZ 2.83Å; E77-R81 IonicContact OE1-NH1 3.96Å; E77-R81 PolarHBondContact OE1-NH1 3.5Å; E77-R81 IonicContact OE1-NH2 2.61Å; E77-R81 PolarHBondContact OE1-NH2 3.31Å; R81-E86 HydrophobicContact CG-CG 4.02Å; R81-E86 VanDerWaalsContact CG-OE1 3.3Å; R81-E86 WeakPolarHBondContact CG-OE1 3.44Å; R81-E86 IonicContact NE-OE1 3.93Å; R81-E86 WeakPolarHBondContact O-CB 3.43Å; R81-E86 WeakPolarHBondContact O-CG 3.41Å; R81-E86 PolarHBondContact O-N 3.34Å; R81-S591 PolarHBondContact NH1-O 2.94Å |
| 82 | K | 96 | Very high | 94.8 | Very high | 17 Ų | 17 | 25 Ų | 25 | 7% | 0.074 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -92.9 | -20.9 | -170 | -59.2 | -54.4 | -159.6 | -178.4 | 0 | 114.8 | V28 L31 D32 L56 L78 W80 E86 | V28-K82 HydrophobicContact CG1-CD 4.37Å; V28-K82 HydrophobicContact CG1-CG 4.1Å; V28-K82 HydrophobicContact CG2-CG 4.21Å; L31-K82 HydrophobicContact CD1-CB 4.33Å; D32-K82 VanDerWaalsContact OD1-CE 3.27Å; D32-K82 WeakPolarHBondContact OD1-CE 3.36Å; D32-K82 IonicContact OD1-NZ 2.63Å; D32-K82 PolarHBondContact OD1-NZ 3.14Å; L56-K82 HydrophobicContact CD2-CB 3.61Å; L56-K82 HydrophobicContact CD2-CG 4.47Å; L78-K82 HydrophobicContact CD2-CG 4.46Å; L78-K82 VanDerWaalsContact O-CB 3.29Å; L78-K82 WeakPolarHBondContact O-CB 3.45Å; L78-K82 PolarHBondContact O-N 3.5Å; W80-K82 PolarHBondContact O-N 2.97Å; K82-E86 WeakPolarHBondContact CD-OE2 3.44Å; K82-E86 WeakPolarHBondContact CE-OE1 3.29Å; K82-E86 WeakPolarHBondContact CE-OE2 3.44Å; K82-E86 IonicContact NZ-OE1 3.28Å; K82-E86 PolarHBondContact NZ-OE1 3.05Å; K82-E86 IonicContact NZ-OE2 3.56Å; K82-E86 PolarHBondContact NZ-OE2 3.04Å |
| 83 | V | 97.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -89.9 | -36 | 178 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | R53 L56 R57 L79 H111 | R53-V83 HydrophobicContact CB-CG1 4.31Å; L56-V83 HydrophobicContact CD2-CG2 4.3Å; L56-V83 HydrophobicContact CG-CG2 4.27Å; R57-V83 HydrophobicContact CB-CG1 4.27Å; R57-V83 HydrophobicContact CB-CG2 4.06Å; L79-V83 HydrophobicContact CD2-CB 4.38Å; L79-V83 HydrophobicContact CD2-CG2 4.33Å; L79-V83 HydrophobicContact CG-CG2 4.28Å; L79-V83 WeakPolarHBondContact O-CA 3.47Å; L79-V83 WeakPolarHBondContact O-CB 3.4Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.17Å; V83-H111 PolarHBondContact O-CE1 2.83Å; V83-H111 PolarHBondContact O-NE2 2.84Å |
| 84 | Y | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -123.7 | -63.1 | -170.9 | -63.2 | -77.1 | 0 | 0 | 0 | 113.3 | R57 L79 W80 E86 V87 I88 H111 A114 F118 Y119 | R57-Y84 PolarHBondContact NH1-OH 3.44Å; R57-Y84 VanDerWaalsContact NH1-OH 3.14Å; L79-Y84 HydrophobicContact CD2-CD2 4.16Å; L79-Y84 HydrophobicContact CD2-CE2 3.84Å; W80-Y84 HydrophobicContact CE3-CD2 4.43Å; W80-Y84 HydrophobicContact CE3-CG 4.46Å; W80-Y84 PolarHBondContact O-N 3.05Å; Y84-E86 PolarHBondContact O-N 2.91Å; Y84-V87 WeakPolarHBondContact O-CB 3.14Å; Y84-V87 PolarHBondContact O-N 3Å; Y84-V87 VanDerWaalsContact O-N 3.1Å; Y84-I88 WeakPolarHBondContact O-CG1 3.32Å; Y84-I88 PolarHBondContact O-N 3.4Å; Y84-H111 AromaticContact CD1-CE1 3.38Å; Y84-H111 WeakPolarHBondContact CD1-CE1 3.41Å; Y84-H111 AromaticContact CD1-NE2 3.92Å; Y84-H111 AromaticContact CE1-CE1 3.66Å; Y84-A114 PolarHBondContact OH-O 3.45Å; Y84-F118 HydrophobicContact CE2-CD1 4.04Å; Y84-F118 HydrophobicContact CE2-CE1 4.48Å; Y84-F118 WeakPolarHBondContact OH-CB 3.5Å; Y84-Y119 AromaticContact CD2-CE2 3.78Å; Y84-Y119 HydrophobicContact CD2-CE2 3.78Å; Y84-Y119 AromaticContact CE2-CE2 3.75Å; Y84-Y119 HydrophobicContact CE2-CE2 3.75Å |
| 85 | Y | 96.4 | Very high | 94.4 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -57.2 | -51.5 | -168.1 | 179 | -94.5 | 0 | 0 | 0 | 113.9 | W80 V87 I88 Q89 N587 | W80-Y85 HydrophobicContact CZ2-CD2 4.38Å; W80-Y85 AromaticContact NE1-CD2 3.99Å; W80-Y85 PolarHBondContact O-N 3.41Å; Y85-V87 VanDerWaalsContact C-N 3.25Å; Y85-V87 PolarHBondContact O-N 3.35Å; Y85-I88 WeakPolarHBondContact O-CB 3.44Å; Y85-I88 PolarHBondContact O-N 2.86Å; Y85-I88 VanDerWaalsContact O-N 3.17Å; Y85-Q89 WeakPolarHBondContact O-CB 3.3Å; Y85-Q89 PolarHBondContact O-N 3.37Å; Y85-N587 WeakPolarHBondContact CE2-OD1 3.37Å; Y85-N587 PolarHBondContact OH-O 3.39Å; Y85-N587 VanDerWaalsContact OH-O 3.07Å; Y85-N587 PolarHBondContact OH-OD1 3.13Å |
| 86 | E | 95.8 | Very high | 94.1 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -27.1 | -179.3 | -71.7 | 176.2 | -174.4 | 0 | 0 | 112.5 | I35 R81 K82 Y84 Q89 V90 | I35-E86 HydrophobicContact CD1-CB 3.99Å; I35-E86 WeakPolarHBondContact CD1-OE2 3.27Å; R81-E86 HydrophobicContact CG-CG 4.02Å; R81-E86 VanDerWaalsContact CG-OE1 3.3Å; R81-E86 WeakPolarHBondContact CG-OE1 3.44Å; R81-E86 IonicContact NE-OE1 3.93Å; R81-E86 WeakPolarHBondContact O-CB 3.43Å; R81-E86 WeakPolarHBondContact O-CG 3.41Å; R81-E86 PolarHBondContact O-N 3.34Å; K82-E86 WeakPolarHBondContact CD-OE2 3.44Å; K82-E86 WeakPolarHBondContact CE-OE1 3.29Å; K82-E86 WeakPolarHBondContact CE-OE2 3.44Å; K82-E86 IonicContact NZ-OE1 3.28Å; K82-E86 PolarHBondContact NZ-OE1 3.05Å; K82-E86 IonicContact NZ-OE2 3.56Å; K82-E86 PolarHBondContact NZ-OE2 3.04Å; Y84-E86 PolarHBondContact O-N 2.91Å; E86-Q89 PolarHBondContact O-N 3.48Å; E86-V90 WeakPolarHBondContact O-CB 3.28Å; E86-V90 VanDerWaalsContact O-CG2 3.26Å; E86-V90 WeakPolarHBondContact O-CG2 3.08Å; E86-V90 PolarHBondContact O-N 2.98Å |
| 87 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.8 | -41.9 | 173.6 | -175 | 0 | 0 | 0 | 0 | 110.5 | V44 F45 Y84 Y85 I91 | V44-V87 HydrophobicContact CB-CG1 4.27Å; V44-V87 HydrophobicContact CG2-CG1 4.01Å; F45-V87 HydrophobicContact CE1-CG1 4.32Å; F45-V87 HydrophobicContact CE2-CG1 4.18Å; F45-V87 HydrophobicContact CZ-CG1 3.66Å; Y84-V87 WeakPolarHBondContact O-CB 3.14Å; Y84-V87 PolarHBondContact O-N 3Å; Y84-V87 VanDerWaalsContact O-N 3.1Å; Y85-V87 VanDerWaalsContact C-N 3.25Å; Y85-V87 PolarHBondContact O-N 3.35Å; V87-I91 WeakPolarHBondContact O-CB 3.2Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.18Å; V87-I91 VanDerWaalsContact O-N 3.11Å |
| 88 | I | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 172.9 | -67.9 | 160.7 | 0 | 0 | 0 | 110.3 | Y84 Y85 I91 K92 Y108 L112 L178 Y181 L185 | Y84-I88 WeakPolarHBondContact O-CG1 3.32Å; Y84-I88 PolarHBondContact O-N 3.4Å; Y85-I88 WeakPolarHBondContact O-CB 3.44Å; Y85-I88 PolarHBondContact O-N 2.86Å; Y85-I88 VanDerWaalsContact O-N 3.17Å; I88-I91 CarbonylContact O-C 3.59Å; I88-I91 WeakPolarHBondContact O-CA 3.13Å; I88-I91 WeakPolarHBondContact O-CB 3.18Å; I88-I91 PolarHBondContact O-N 3.28Å; I88-I91 VanDerWaalsContact O-N 3.13Å; I88-K92 WeakPolarHBondContact O-CB 3.44Å; I88-K92 PolarHBondContact O-N 2.87Å; I88-Y108 HydrophobicContact CB-CE2 4.46Å; I88-Y108 HydrophobicContact CG1-CE2 3.97Å; I88-L112 HydrophobicContact CD1-CD2 3.92Å; I88-L112 HydrophobicContact CG1-CD2 4.04Å; I88-L178 HydrophobicContact CD1-CD2 4.07Å; I88-Y181 HydrophobicContact CD1-CD2 3.85Å; I88-Y181 HydrophobicContact CD1-CE2 4.14Å; I88-Y181 HydrophobicContact CG2-CD1 3.71Å; I88-Y181 HydrophobicContact CG2-CD2 3.78Å; I88-Y181 HydrophobicContact CG2-CE1 3.82Å; I88-Y181 HydrophobicContact CG2-CE2 3.89Å; I88-Y181 HydrophobicContact CG2-CG 3.69Å; I88-L185 HydrophobicContact CG2-CD1 4.41Å |
| 89 | Q | 93.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 41 Ų | 41 | 20% | 0.201 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.2 | -36.1 | -178.4 | -171.3 | 64.9 | -13.5 | 0 | 0 | 112.9 | Y85 E86 I91 K92 T93 | Y85-Q89 WeakPolarHBondContact O-CB 3.3Å; Y85-Q89 PolarHBondContact O-N 3.37Å; E86-Q89 PolarHBondContact O-N 3.48Å; Q89-I91 PolarHBondContact O-N 3.11Å; Q89-K92 PolarHBondContact O-N 2.92Å; Q89-T93 HydrophobicContact CG-CG2 4.49Å; Q89-T93 WeakPolarHBondContact O-CB 3.29Å; Q89-T93 WeakPolarHBondContact O-CG2 3.23Å; Q89-T93 PolarHBondContact O-N 3.12Å; Q89-T93 PolarHBondContact O-OG1 3.29Å |
| 90 | V | 93.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -38.6 | 167.1 | 162 | 0 | 0 | 0 | 0 | 110.8 | I35 V44 E86 T93 N94 | I35-V90 HydrophobicContact CG2-CG2 3.95Å; V44-V90 HydrophobicContact CG2-CG1 4.41Å; E86-V90 WeakPolarHBondContact O-CB 3.28Å; E86-V90 VanDerWaalsContact O-CG2 3.26Å; E86-V90 WeakPolarHBondContact O-CG2 3.08Å; E86-V90 PolarHBondContact O-N 2.98Å; V90-T93 PolarHBondContact O-OG1 3.38Å; V90-N94 WeakPolarHBondContact O-CB 3.23Å; V90-N94 PolarHBondContact O-N 3.42Å; V90-N94 PolarHBondContact O-ND2 2.95Å |
| 91 | I | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.3 | -45.3 | 176.7 | -81.9 | -71 | 0 | 0 | 0 | 112.3 | F45 V87 I88 Q89 N94 K95 I98 L104 Y108 L185 | F45-I91 HydrophobicContact CE2-CD1 3.83Å; F45-I91 HydrophobicContact CE2-CG1 3.79Å; F45-I91 HydrophobicContact CZ-CG1 4.31Å; V87-I91 WeakPolarHBondContact O-CB 3.2Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.18Å; V87-I91 VanDerWaalsContact O-N 3.11Å; I88-I91 CarbonylContact O-C 3.59Å; I88-I91 WeakPolarHBondContact O-CA 3.13Å; I88-I91 WeakPolarHBondContact O-CB 3.18Å; I88-I91 PolarHBondContact O-N 3.28Å; I88-I91 VanDerWaalsContact O-N 3.13Å; Q89-I91 PolarHBondContact O-N 3.11Å; I91-N94 CarbonylContact O-C 3.58Å; I91-N94 PolarHBondContact O-N 3.5Å; I91-N94 VanDerWaalsContact O-N 3.13Å; I91-K95 PolarHBondContact O-N 3.28Å; I91-I98 HydrophobicContact CB-CD1 4.27Å; I91-I98 HydrophobicContact CD1-CD1 3.53Å; I91-I98 HydrophobicContact CD1-CG1 4.25Å; I91-I98 HydrophobicContact CG1-CD1 4.46Å; I91-I98 HydrophobicContact CG2-CD1 3.58Å; I91-L104 HydrophobicContact CD1-CD1 4.04Å; I91-L104 HydrophobicContact CD1-CG 4.28Å; I91-Y108 HydrophobicContact CB-CD2 4.04Å; I91-Y108 HydrophobicContact CB-CE2 4.02Å; I91-Y108 HydrophobicContact CG1-CD2 3.79Å; I91-Y108 HydrophobicContact CG1-CE2 4.26Å; I91-Y108 HydrophobicContact CG1-CG 4.26Å; I91-Y108 HydrophobicContact CG2-CD1 3.93Å; I91-Y108 HydrophobicContact CG2-CD2 3.68Å; I91-Y108 HydrophobicContact CG2-CE1 3.84Å; I91-Y108 HydrophobicContact CG2-CE2 3.58Å; I91-Y108 HydrophobicContact CG2-CG 3.85Å; I91-L185 HydrophobicContact CG2-CD1 4.45Å |
| 92 | K | 91.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 14% | 0.143 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 179 | -173 | 164.5 | 175.6 | 166 | 0 | 111.6 | I88 Q89 N94 K95 E184 L185 | I88-K92 WeakPolarHBondContact O-CB 3.44Å; I88-K92 PolarHBondContact O-N 2.87Å; Q89-K92 PolarHBondContact O-N 2.92Å; K92-N94 PolarHBondContact O-N 3.45Å; K92-K95 WeakPolarHBondContact O-CB 3.16Å; K92-K95 PolarHBondContact O-N 2.89Å; K92-E184 WeakPolarHBondContact CE-OE2 3.49Å; K92-E184 IonicContact NZ-OE1 3.93Å; K92-E184 IonicContact NZ-OE2 2.76Å; K92-E184 PolarHBondContact NZ-OE2 2.86Å; K92-L185 HydrophobicContact CB-CD1 4.08Å; K92-L185 HydrophobicContact CG-CD1 4.4Å |
| 93 | T | 91.8 | Very high | 91 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.1 | -21.8 | 176 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | Q89 V90 | Q89-T93 HydrophobicContact CG-CG2 4.49Å; Q89-T93 WeakPolarHBondContact O-CB 3.29Å; Q89-T93 WeakPolarHBondContact O-CG2 3.23Å; Q89-T93 PolarHBondContact O-N 3.12Å; Q89-T93 PolarHBondContact O-OG1 3.29Å; V90-T93 PolarHBondContact O-OG1 3.38Å |
| 94 | N | 90.5 | Very high | 90.6 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 20.2 | 178.3 | -70.2 | -91.5 | 0 | 0 | 0 | 113.3 | Y41 V90 I91 K92 K96 H97 | Y41-N94 HydrophobicContact CD1-CB 4.16Å; Y41-N94 WeakPolarHBondContact CD1-OD1 3.23Å; Y41-N94 HydrophobicContact CG-CB 4.01Å; V90-N94 WeakPolarHBondContact O-CB 3.23Å; V90-N94 PolarHBondContact O-N 3.42Å; V90-N94 PolarHBondContact O-ND2 2.95Å; I91-N94 CarbonylContact O-C 3.58Å; I91-N94 PolarHBondContact O-N 3.5Å; I91-N94 VanDerWaalsContact O-N 3.13Å; K92-N94 PolarHBondContact O-N 3.45Å; N94-K96 PolarHBondContact O-N 2.9Å; N94-H97 PolarHBondContact O-N 2.9Å |
| 95 | K | 87.1 | Confident | 90.3 | Very high | 117 Ų | 117 | 62 Ų | 62 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -49.4 | -38.4 | -175.9 | -171.2 | 172.3 | -177.6 | 170.1 | 0 | 113.2 | I91 K92 H97 I98 E184 L185 | I91-K95 PolarHBondContact O-N 3.28Å; K92-K95 WeakPolarHBondContact O-CB 3.16Å; K92-K95 PolarHBondContact O-N 2.89Å; K95-H97 PolarHBondContact O-N 3.2Å; K95-H97 VanDerWaalsContact O-N 3.07Å; K95-I98 WeakPolarHBondContact O-CB 3.37Å; K95-I98 PolarHBondContact O-N 3.34Å; K95-E184 PolarHBondContact NZ-O 2.96Å; K95-L185 HydrophobicContact CD-CD2 3.74Å; K95-L185 HydrophobicContact CG-CD2 4.33Å |
| 96 | K | 88 | Confident | 90.1 | Very high | 170 Ų | 170 | 64.9 Ų | 64.9 | 74% | 0.739 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -59.6 | -13.4 | 175.1 | 68.8 | -176.7 | 177.4 | -172.9 | 0 | 116.3 | N94 | N94-K96 PolarHBondContact O-N 2.9Š|
| 97 | H | 85.6 | Confident | 90 | Very high | 73 Ų | 73 | 64.6 Ų | 64.6 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -100.6 | -6.7 | 175.6 | -62.1 | -47.3 | 0 | 0 | 0 | 112.8 | Y41 N94 K95 H99 | Y41-H97 HydrophobicContact CD2-CB 4.27Å; Y41-H97 AromaticContact CE1-CD2 3.96Å; Y41-H97 HydrophobicContact CE2-CB 3.76Å; Y41-H97 AromaticContact CZ-CD2 3.97Å; N94-H97 PolarHBondContact O-N 2.9Å; K95-H97 PolarHBondContact O-N 3.2Å; K95-H97 VanDerWaalsContact O-N 3.07Å; H97-H99 PolarHBondContact O-ND1 3.17Å |
| 98 | I | 84.9 | Confident | 89.8 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 18% | 0.179 | 34% | 0.339 | C | S | . | . | trans | -95.2 | 104.1 | -178.4 | -51.5 | 174.5 | 0 | 0 | 0 | 108.1 | I91 K95 L104 E105 | I91-I98 HydrophobicContact CB-CD1 4.27Å; I91-I98 HydrophobicContact CD1-CD1 3.53Å; I91-I98 HydrophobicContact CD1-CG1 4.25Å; I91-I98 HydrophobicContact CG1-CD1 4.46Å; I91-I98 HydrophobicContact CG2-CD1 3.58Å; K95-I98 WeakPolarHBondContact O-CB 3.37Å; K95-I98 PolarHBondContact O-N 3.34Å; I98-L104 HydrophobicContact CG1-CD2 3.97Å; I98-L104 HydrophobicContact CG1-CG 4.44Å; I98-E105 HydrophobicContact CG2-CB 3.8Å; I98-E105 HydrophobicContact CG2-CG 4.14Å | ||
| 99 | H | 86.1 | Confident | 89.7 | Confident | 129 Ų | 129 | 69 Ų | 69 | 60% | 0.597 | 36% | 0.355 | S | S | * | . | trans | -90.8 | 146.4 | -178.6 | -62 | 63.1 | 0 | 0 | 0 | 109.8 | H97 R101 S102 | H97-H99 PolarHBondContact O-ND1 3.17Å; H99-R101 PolarHBondContact O-N 3.21Å; H99-S102 WeakPolarHBondContact O-CB 3.15Å; H99-S102 PolarHBondContact O-N 3.11Å; H99-S102 VanDerWaalsContact O-N 3.08Å; H99-S102 PolarHBondContact O-OG 2.91Å | ||
| 100 | S | 85.3 | Confident | 89.7 | Confident | 102 Ų | 102 | 71 Ų | 71 | 71% | 0.713 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 136.4 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | S102 E105 | S100-S102 PolarHBondContact O-N 3.45Å; S100-E105 WeakPolarHBondContact CA-OE2 3.38Å |
| 101 | R | 83.8 | Confident | 89.8 | Confident | 242 Ų | 242 | 71.5 Ų | 71.5 | 91% | 0.913 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 16.2 | -175 | -52.5 | 178.3 | -177.6 | 174 | 0.8 | 114.5 | H99 E105 | H99-R101 PolarHBondContact O-N 3.21Å; R101-E105 PolarHBondContact N-OE2 3.14Å |
| 102 | S | 90.4 | Very high | 90 | Very high | 29 Ų | 29 | 71.6 Ų | 71.6 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | trans | -75 | 155 | 176.8 | 69 | 0 | 0 | 0 | 0 | 112.8 | H99 S100 L104 E105 C106 | H99-S102 WeakPolarHBondContact O-CB 3.15Å; H99-S102 PolarHBondContact O-N 3.11Å; H99-S102 VanDerWaalsContact O-N 3.08Å; H99-S102 PolarHBondContact O-OG 2.91Å; S100-S102 PolarHBondContact O-N 3.45Å; S102-L104 PolarHBondContact O-N 3.22Å; S102-E105 PolarHBondContact O-N 3.47Å; S102-E105 WeakPolarHBondContact OG-CB 3.44Å; S102-E105 PolarHBondContact OG-N 3.06Å; S102-C106 PolarHBondContact O-N 2.7Å | ||
| 103 | A | 90.6 | Very high | 90.1 | Very high | 87 Ų | 87 | 75.1 Ų | 75.1 | 72% | 0.719 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.7 | -29.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A107 | A103-A107 WeakPolarHBondContact O-CB 3.43Å; A103-A107 PolarHBondContact O-N 3.33Å |
| 104 | L | 89.6 | Confident | 90.3 | Very high | 33 Ų | 33 | 73.1 Ų | 73.1 | 17% | 0.173 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.9 | -45.3 | 175.4 | 178.8 | 59.2 | 0 | 0 | 0 | 111.7 | Y41 F45 I91 I98 S102 C106 A107 Y108 | Y41-L104 HydrophobicContact CD2-CD2 3.81Å; Y41-L104 HydrophobicContact CE2-CD2 4.35Å; Y41-L104 VanDerWaalsContact O-CD1 3.28Å; Y41-L104 WeakPolarHBondContact O-CD1 3.36Å; F45-L104 HydrophobicContact CD2-CD1 3.54Å; F45-L104 HydrophobicContact CE2-CD1 4.1Å; F45-L104 HydrophobicContact CG-CD1 4.39Å; I91-L104 HydrophobicContact CD1-CD1 4.04Å; I91-L104 HydrophobicContact CD1-CG 4.28Å; I98-L104 HydrophobicContact CG1-CD2 3.97Å; I98-L104 HydrophobicContact CG1-CG 4.44Å; S102-L104 PolarHBondContact O-N 3.22Å; L104-C106 VanDerWaalsContact C-N 3.34Å; L104-C106 PolarHBondContact O-N 3.05Å; L104-A107 PolarHBondContact O-N 2.82Å; L104-Y108 WeakPolarHBondContact O-CB 3.48Å; L104-Y108 PolarHBondContact O-N 3.38Å |
| 105 | E | 89.8 | Confident | 90.6 | Very high | 23 Ų | 23 | 71.6 Ų | 71.6 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174 | -168.1 | -162.5 | 175.9 | 0 | 0 | 111 | I98 S100 R101 S102 A107 Y108 R109 | I98-E105 HydrophobicContact CG2-CB 3.8Å; I98-E105 HydrophobicContact CG2-CG 4.14Å; S100-E105 WeakPolarHBondContact CA-OE2 3.38Å; R101-E105 PolarHBondContact N-OE2 3.14Å; S102-E105 PolarHBondContact O-N 3.47Å; S102-E105 WeakPolarHBondContact OG-CB 3.44Å; S102-E105 PolarHBondContact OG-N 3.06Å; E105-A107 PolarHBondContact O-N 3.26Å; E105-Y108 PolarHBondContact O-N 2.92Å; E105-R109 HydrophobicContact CG-CG 4.39Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 WeakPolarHBondContact O-CG 3.33Å; E105-R109 PolarHBondContact O-N 3.46Å; E105-R109 IonicContact OE1-CZ 3.75Å; E105-R109 IonicContact OE1-NE 3.25Å; E105-R109 PolarHBondContact OE1-NE 2.8Å; E105-R109 IonicContact OE1-NH2 3.29Å; E105-R109 PolarHBondContact OE1-NH2 2.97Å |
| 106 | C | 92.1 | Very high | 91 | Very high | 76 Ų | 76 | 67 Ų | 67 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 176.2 | -175 | 0 | 0 | 0 | 0 | 112.1 | S102 L104 Y108 R109 T110 | S102-C106 PolarHBondContact O-N 2.7Å; L104-C106 VanDerWaalsContact C-N 3.34Å; L104-C106 PolarHBondContact O-N 3.05Å; C106-Y108 VanDerWaalsContact C-N 3.34Å; C106-Y108 PolarHBondContact O-N 2.85Å; C106-R109 PolarHBondContact O-N 3.09Å; C106-T110 WeakPolarHBondContact O-CB 3.4Å; C106-T110 PolarHBondContact O-N 3.33Å; C106-T110 PolarHBondContact O-OG1 3.35Å |
| 107 | A | 92.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 26% | 0.256 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F45 A103 L104 E105 H111 | F45-A107 HydrophobicContact CB-CB 4.05Å; F45-A107 HydrophobicContact CD1-CB 3.67Å; F45-A107 HydrophobicContact CE1-CB 4.36Å; F45-A107 HydrophobicContact CG-CB 3.83Å; A103-A107 WeakPolarHBondContact O-CB 3.43Å; A103-A107 PolarHBondContact O-N 3.33Å; L104-A107 PolarHBondContact O-N 2.82Å; E105-A107 PolarHBondContact O-N 3.26Å; A107-H111 WeakPolarHBondContact O-CB 3.49Å; A107-H111 PolarHBondContact O-N 3.27Å |
| 108 | Y | 91.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.7 | -47.5 | 176.1 | 176.7 | -109.5 | 0 | 0 | 0 | 113.1 | F45 I88 I91 L104 E105 C106 T110 H111 L112 L185 | F45-Y108 HydrophobicContact CZ-CD2 4.06Å; I88-Y108 HydrophobicContact CB-CE2 4.46Å; I88-Y108 HydrophobicContact CG1-CE2 3.97Å; I91-Y108 HydrophobicContact CB-CD2 4.04Å; I91-Y108 HydrophobicContact CB-CE2 4.02Å; I91-Y108 HydrophobicContact CG1-CD2 3.79Å; I91-Y108 HydrophobicContact CG1-CE2 4.26Å; I91-Y108 HydrophobicContact CG1-CG 4.26Å; I91-Y108 HydrophobicContact CG2-CD1 3.93Å; I91-Y108 HydrophobicContact CG2-CD2 3.68Å; I91-Y108 HydrophobicContact CG2-CE1 3.84Å; I91-Y108 HydrophobicContact CG2-CE2 3.58Å; I91-Y108 HydrophobicContact CG2-CG 3.85Å; L104-Y108 WeakPolarHBondContact O-CB 3.48Å; L104-Y108 PolarHBondContact O-N 3.38Å; E105-Y108 PolarHBondContact O-N 2.92Å; C106-Y108 VanDerWaalsContact C-N 3.34Å; C106-Y108 PolarHBondContact O-N 2.85Å; Y108-T110 VanDerWaalsContact C-N 3.29Å; Y108-T110 PolarHBondContact O-N 2.82Å; Y108-H111 WeakPolarHBondContact O-CB 3.47Å; Y108-H111 PolarHBondContact O-N 3.36Å; Y108-L112 HydrophobicContact CD1-CD1 4.3Å; Y108-L112 HydrophobicContact CE1-CD1 3.54Å; Y108-L112 HydrophobicContact CE1-CG 4.11Å; Y108-L112 HydrophobicContact CE2-CD1 4.38Å; Y108-L112 HydrophobicContact CE2-CD2 4.22Å; Y108-L112 HydrophobicContact CE2-CG 4.08Å; Y108-L112 PolarHBondContact O-N 3.46Å; Y108-L185 HydrophobicContact CE1-CB 3.65Å; Y108-L185 HydrophobicContact CE1-CD1 4.32Å; Y108-L185 VanDerWaalsContact OH-CD1 3.25Å; Y108-L185 WeakPolarHBondContact OH-CD1 3.44Å |
| 109 | R | 92.6 | Very high | 92.4 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -54.4 | -46.2 | 173.4 | -74.4 | 178 | 178.4 | -104 | 2.9 | 111.1 | E105 C106 H111 L112 I113 A186 | E105-R109 HydrophobicContact CG-CG 4.39Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 WeakPolarHBondContact O-CG 3.33Å; E105-R109 PolarHBondContact O-N 3.46Å; E105-R109 IonicContact OE1-CZ 3.75Å; E105-R109 IonicContact OE1-NE 3.25Å; E105-R109 PolarHBondContact OE1-NE 2.8Å; E105-R109 IonicContact OE1-NH2 3.29Å; E105-R109 PolarHBondContact OE1-NH2 2.97Å; C106-R109 PolarHBondContact O-N 3.09Å; R109-H111 VanDerWaalsContact C-N 3.32Å; R109-H111 PolarHBondContact O-N 2.87Å; R109-L112 PolarHBondContact O-N 2.79Å; R109-I113 WeakPolarHBondContact O-CG1 3.16Å; R109-I113 PolarHBondContact O-N 2.89Å; R109-I113 VanDerWaalsContact O-N 3.13Å; R109-A186 HydrophobicContact CG-CB 3.94Å; R109-A186 PolarHBondContact NH1-O 2.87Å; R109-A186 PolarHBondContact NH2-O 3.18Å |
| 110 | T | 93.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 176 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | C106 Y108 I113 A114 | C106-T110 WeakPolarHBondContact O-CB 3.4Å; C106-T110 PolarHBondContact O-N 3.33Å; C106-T110 PolarHBondContact O-OG1 3.35Å; Y108-T110 VanDerWaalsContact C-N 3.29Å; Y108-T110 PolarHBondContact O-N 2.82Å; T110-I113 PolarHBondContact O-N 2.91Å; T110-A114 VanDerWaalsContact O-CB 3.28Å; T110-A114 WeakPolarHBondContact O-CB 3.3Å; T110-A114 PolarHBondContact O-N 2.99Å |
| 111 | H | 95.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.111 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 178.5 | 178.6 | 43.4 | 0 | 0 | 0 | 113.1 | F45 V83 Y84 A107 Y108 R109 A114 G115 | F45-H111 HydrophobicContact CE1-CB 3.83Å; F45-H111 HydrophobicContact CZ-CB 4.48Å; V83-H111 PolarHBondContact O-CE1 2.83Å; V83-H111 PolarHBondContact O-NE2 2.84Å; Y84-H111 AromaticContact CD1-CE1 3.38Å; Y84-H111 WeakPolarHBondContact CD1-CE1 3.41Å; Y84-H111 AromaticContact CD1-NE2 3.92Å; Y84-H111 AromaticContact CE1-CE1 3.66Å; A107-H111 WeakPolarHBondContact O-CB 3.49Å; A107-H111 PolarHBondContact O-N 3.27Å; Y108-H111 WeakPolarHBondContact O-CB 3.47Å; Y108-H111 PolarHBondContact O-N 3.36Å; R109-H111 VanDerWaalsContact C-N 3.32Å; R109-H111 PolarHBondContact O-N 2.87Å; H111-A114 CarbonylContact O-C 3.55Å; H111-A114 PolarHBondContact O-N 3.41Å; H111-G115 PolarHBondContact O-N 3.34Å |
| 112 | L | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.4 | -71.3 | 178.2 | 0 | 0 | 0 | 111.5 | I88 Y108 R109 A114 G115 V116 L178 Q182 | I88-L112 HydrophobicContact CD1-CD2 3.92Å; I88-L112 HydrophobicContact CG1-CD2 4.04Å; Y108-L112 HydrophobicContact CD1-CD1 4.3Å; Y108-L112 HydrophobicContact CE1-CD1 3.54Å; Y108-L112 HydrophobicContact CE1-CG 4.11Å; Y108-L112 HydrophobicContact CE2-CD1 4.38Å; Y108-L112 HydrophobicContact CE2-CD2 4.22Å; Y108-L112 HydrophobicContact CE2-CG 4.08Å; Y108-L112 PolarHBondContact O-N 3.46Å; R109-L112 PolarHBondContact O-N 2.79Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.45Å; L112-G115 WeakPolarHBondContact O-CA 3.16Å; L112-G115 PolarHBondContact O-N 3.4Å; L112-V116 PolarHBondContact O-N 3.44Å; L112-L178 HydrophobicContact CD2-CD2 3.73Å; L112-Q182 HydrophobicContact CB-CG 3.99Å; L112-Q182 HydrophobicContact CD1-CB 4.45Å; L112-Q182 HydrophobicContact CD1-CG 3.7Å; L112-Q182 HydrophobicContact CG-CG 4.43Å |
| 113 | I | 94.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 42.7 Ų | 42.7 | 55% | 0.549 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 178.2 | -65.2 | 164.9 | 0 | 0 | 0 | 110.9 | R109 T110 G115 V116 G117 | R109-I113 WeakPolarHBondContact O-CG1 3.16Å; R109-I113 PolarHBondContact O-N 2.89Å; R109-I113 VanDerWaalsContact O-N 3.13Å; T110-I113 PolarHBondContact O-N 2.91Å; I113-G115 PolarHBondContact O-N 3.46Å; I113-V116 PolarHBondContact O-N 3.33Å; I113-G117 PolarHBondContact O-N 2.75Å |
| 114 | A | 95.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 41% | 0.405 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71 | -13 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y84 T110 H111 L112 F118 | Y84-A114 PolarHBondContact OH-O 3.45Å; T110-A114 VanDerWaalsContact O-CB 3.28Å; T110-A114 WeakPolarHBondContact O-CB 3.3Å; T110-A114 PolarHBondContact O-N 2.99Å; H111-A114 CarbonylContact O-C 3.55Å; H111-A114 PolarHBondContact O-N 3.41Å; L112-A114 VanDerWaalsContact C-N 3.31Å; L112-A114 PolarHBondContact O-N 3.45Å; A114-F118 VanDerWaalsContact O-CB 3.27Å; A114-F118 WeakPolarHBondContact O-CB 3.38Å |
| 115 | G | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -78.4 | -51.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H111 L112 I113 G117 F118 Y119 | H111-G115 PolarHBondContact O-N 3.34Å; L112-G115 WeakPolarHBondContact O-CA 3.16Å; L112-G115 PolarHBondContact O-N 3.4Å; I113-G115 PolarHBondContact O-N 3.46Å; G115-G117 PolarHBondContact O-N 3.26Å; G115-F118 WeakPolarHBondContact O-CB 3.27Å; G115-F118 PolarHBondContact O-N 3.15Å; G115-F118 VanDerWaalsContact O-N 3.07Å; G115-Y119 WeakPolarHBondContact O-CD2 3.43Å; G115-Y119 PolarHBondContact O-N 2.75Å |
| 116 | V | 95.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.4 | -52.7 | -179.4 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | L112 I113 F118 Y119 Q120 L175 L178 | L112-V116 PolarHBondContact O-N 3.44Å; I113-V116 PolarHBondContact O-N 3.33Å; V116-F118 PolarHBondContact O-N 2.73Å; V116-Y119 PolarHBondContact O-N 2.82Å; V116-Q120 HydrophobicContact CG1-CG 4.43Å; V116-Q120 WeakPolarHBondContact O-CB 3.2Å; V116-Q120 WeakPolarHBondContact O-CG 3.48Å; V116-Q120 PolarHBondContact O-N 2.72Å; V116-L175 HydrophobicContact CB-CD2 4.34Å; V116-L175 HydrophobicContact CG1-CD2 3.99Å; V116-L175 WeakPolarHBondContact O-CD2 3.32Å; V116-L178 HydrophobicContact CG2-CB 3.81Å; V116-L178 HydrophobicContact CG2-CD1 4.26Å |
| 117 | G | 94.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.9 | -25 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I113 G115 H121 | I113-G117 PolarHBondContact O-N 2.75Å; G115-G117 PolarHBondContact O-N 3.26Å; G117-H121 WeakPolarHBondContact O-CB 3.35Å; G117-H121 PolarHBondContact O-N 3.29Å |
| 118 | F | 96.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.5 | -49.2 | 173.8 | 170.7 | -100.2 | 0 | 0 | 0 | 111.7 | R57 V61 L79 Y84 A114 G115 V116 H121 L122 | R57-F118 HydrophobicContact CG-CD2 4.48Å; R57-F118 HydrophobicContact CG-CE1 4.28Å; R57-F118 HydrophobicContact CG-CE2 3.87Å; R57-F118 HydrophobicContact CG-CZ 3.77Å; V61-F118 HydrophobicContact CG2-CE2 4.19Å; V61-F118 HydrophobicContact CG2-CZ 3.81Å; L79-F118 HydrophobicContact CD1-CE1 4.05Å; L79-F118 HydrophobicContact CD1-CZ 3.85Å; L79-F118 HydrophobicContact CD2-CD1 4.48Å; L79-F118 HydrophobicContact CD2-CE1 3.64Å; L79-F118 HydrophobicContact CD2-CZ 4.2Å; Y84-F118 HydrophobicContact CE2-CD1 4.04Å; Y84-F118 HydrophobicContact CE2-CE1 4.48Å; Y84-F118 WeakPolarHBondContact OH-CB 3.5Å; A114-F118 VanDerWaalsContact O-CB 3.27Å; A114-F118 WeakPolarHBondContact O-CB 3.38Å; G115-F118 WeakPolarHBondContact O-CB 3.27Å; G115-F118 PolarHBondContact O-N 3.15Å; G115-F118 VanDerWaalsContact O-N 3.07Å; V116-F118 PolarHBondContact O-N 2.73Å; F118-H121 PolarHBondContact O-N 3Å; F118-L122 HydrophobicContact CE1-CD2 3.92Å; F118-L122 HydrophobicContact CZ-CD2 3.95Å; F118-L122 WeakPolarHBondContact O-CB 3.19Å; F118-L122 PolarHBondContact O-N 3.39Å |
| 119 | Y | 97.2 | Very high | 93 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.6 | -31.9 | -178.7 | -79.5 | -73.6 | 0 | 0 | 0 | 112.9 | L79 W80 Y84 G115 V116 L122 L123 C171 Y174 L178 | L79-Y119 WeakPolarHBondContact CD2-OH 3.48Å; W80-Y119 WeakPolarHBondContact CA-OH 3.5Å; W80-Y119 AromaticContact CE3-CE2 3.86Å; W80-Y119 HydrophobicContact CE3-CE2 3.86Å; W80-Y119 AromaticContact CE3-CZ 3.97Å; W80-Y119 HydrophobicContact CZ3-CE2 4.12Å; Y84-Y119 AromaticContact CD2-CE2 3.78Å; Y84-Y119 HydrophobicContact CD2-CE2 3.78Å; Y84-Y119 AromaticContact CE2-CE2 3.75Å; Y84-Y119 HydrophobicContact CE2-CE2 3.75Å; G115-Y119 WeakPolarHBondContact O-CD2 3.43Å; G115-Y119 PolarHBondContact O-N 2.75Å; V116-Y119 PolarHBondContact O-N 2.82Å; Y119-L122 HydrophobicContact CD1-CD2 4.13Å; Y119-L122 HydrophobicContact CE1-CD2 4.23Å; Y119-L122 PolarHBondContact O-N 3.46Å; Y119-L123 VanDerWaalsContact O-CB 3.3Å; Y119-L123 WeakPolarHBondContact O-CB 3.32Å; Y119-L123 PolarHBondContact O-N 3.23Å; Y119-C171 HydrophobicContact CD1-CB 4.31Å; Y119-Y174 HydrophobicContact CD1-CD2 4.16Å; Y119-Y174 AromaticContact CE1-CD2 3.51Å; Y119-Y174 HydrophobicContact CE1-CD2 3.51Å; Y119-Y174 HydrophobicContact CE1-CE2 4.3Å; Y119-Y174 HydrophobicContact CE1-CG 4.33Å; Y119-Y174 AromaticContact CZ-CD2 3.79Å; Y119-L178 HydrophobicContact CD2-CD1 3.84Å; Y119-L178 HydrophobicContact CE2-CD1 4.38Å |
| 120 | Q | 93.8 | Very high | 92.8 | Very high | 66 Ų | 66 | 37 Ų | 37 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 169.8 | -76.3 | 172.9 | -32.1 | 0 | 0 | 111.8 | V116 L123 L124 W140 L175 | V116-Q120 HydrophobicContact CG1-CG 4.43Å; V116-Q120 WeakPolarHBondContact O-CB 3.2Å; V116-Q120 WeakPolarHBondContact O-CG 3.48Å; V116-Q120 PolarHBondContact O-N 2.72Å; Q120-L123 PolarHBondContact O-N 3.04Å; Q120-L124 WeakPolarHBondContact O-CG 3.34Å; Q120-L124 PolarHBondContact O-N 3.13Å; Q120-L124 VanDerWaalsContact O-N 3.09Å; Q120-W140 HydrophobicContact CB-CH2 4.16Å; Q120-W140 HydrophobicContact CB-CZ3 4.35Å; Q120-W140 HydrophobicContact CG-CH2 4.02Å; Q120-W140 HydrophobicContact CG-CZ3 4.41Å; Q120-L175 HydrophobicContact CG-CD1 4.12Å; Q120-L175 HydrophobicContact CG-CD2 3.89Å |
| 121 | H | 92.1 | Very high | 92.4 | Very high | 112 Ų | 112 | 38.9 Ų | 38.9 | 52% | 0.519 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 177.3 | -175.6 | -175 | 0 | 0 | 0 | 111.7 | G117 F118 L123 L124 Y125 | G117-H121 WeakPolarHBondContact O-CB 3.35Å; G117-H121 PolarHBondContact O-N 3.29Å; F118-H121 PolarHBondContact O-N 3Å; H121-L123 PolarHBondContact O-N 3.2Å; H121-L124 PolarHBondContact O-N 3.41Å; H121-Y125 VanDerWaalsContact O-CB 3.24Å; H121-Y125 WeakPolarHBondContact O-CB 3.36Å; H121-Y125 PolarHBondContact O-N 3.23Å |
| 122 | L | 94.1 | Very high | 92 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.5 | -178.1 | 59.5 | 0 | 0 | 0 | 111.7 | M64 F65 F118 Y119 Y125 I126 | M64-L122 HydrophobicContact CE-CD1 4.39Å; M64-L122 HydrophobicContact CE-CD2 4.33Å; F65-L122 HydrophobicContact CE2-CD1 4Å; F65-L122 HydrophobicContact CZ-CD1 3.99Å; F118-L122 HydrophobicContact CE1-CD2 3.92Å; F118-L122 HydrophobicContact CZ-CD2 3.95Å; F118-L122 WeakPolarHBondContact O-CB 3.19Å; F118-L122 PolarHBondContact O-N 3.39Å; Y119-L122 HydrophobicContact CD1-CD2 4.13Å; Y119-L122 HydrophobicContact CE1-CD2 4.23Å; Y119-L122 PolarHBondContact O-N 3.46Å; L122-Y125 PolarHBondContact O-N 3.08Å; L122-I126 HydrophobicContact CD1-CD1 4.05Å; L122-I126 HydrophobicContact CD1-CG1 4.28Å; L122-I126 HydrophobicContact CG-CD1 3.93Å; L122-I126 VanDerWaalsContact O-CG1 3.25Å; L122-I126 WeakPolarHBondContact O-CG1 3.25Å; L122-I126 PolarHBondContact O-N 2.84Å |
| 123 | L | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -53.1 | 175.9 | -173.8 | 161.6 | 0 | 0 | 0 | 111.4 | Y119 Q120 H121 Y125 I126 Q127 I138 W140 C171 L172 L175 | Y119-L123 VanDerWaalsContact O-CB 3.3Å; Y119-L123 WeakPolarHBondContact O-CB 3.32Å; Y119-L123 PolarHBondContact O-N 3.23Å; Q120-L123 PolarHBondContact O-N 3.04Å; H121-L123 PolarHBondContact O-N 3.2Å; L123-Y125 VanDerWaalsContact C-N 3.26Å; L123-Y125 PolarHBondContact O-N 3.4Å; L123-I126 PolarHBondContact O-N 3.2Å; L123-Q127 WeakPolarHBondContact O-CB 3.43Å; L123-Q127 PolarHBondContact O-N 2.93Å; L123-I138 HydrophobicContact CD1-CD1 4.38Å; L123-I138 HydrophobicContact CD2-CD1 4.16Å; L123-W140 HydrophobicContact CD1-CH2 4.17Å; L123-W140 HydrophobicContact CD1-CZ2 4.11Å; L123-W140 HydrophobicContact CD2-CH2 4.05Å; L123-W140 HydrophobicContact CD2-CZ2 4.46Å; L123-W140 HydrophobicContact CG-CH2 4.49Å; L123-C171 HydrophobicContact CB-CB 4.11Å; L123-C171 HydrophobicContact CD1-CB 4.2Å; L123-C171 HydrophobicContact CG-CB 4.47Å; L123-L172 HydrophobicContact CD1-CD1 4.4Å; L123-L172 HydrophobicContact CD1-CD2 3.6Å; L123-L172 HydrophobicContact CD1-CG 3.66Å; L123-L175 HydrophobicContact CD1-CD1 4.48Å |
| 124 | L | 89.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -36.5 | 178 | -69.3 | 174 | 0 | 0 | 0 | 112 | Q120 H121 S128 W140 | Q120-L124 WeakPolarHBondContact O-CG 3.34Å; Q120-L124 PolarHBondContact O-N 3.13Å; Q120-L124 VanDerWaalsContact O-N 3.09Å; H121-L124 PolarHBondContact O-N 3.41Å; L124-S128 WeakPolarHBondContact O-CB 3.3Å; L124-S128 PolarHBondContact O-N 2.97Å; L124-W140 HydrophobicContact CD1-CZ3 3.93Å; L124-W140 HydrophobicContact CD2-CE3 4.29Å; L124-W140 HydrophobicContact CD2-CZ3 3.86Å; L124-W140 HydrophobicContact CG-CH2 4.48Å; L124-W140 HydrophobicContact CG-CZ3 3.74Å |
| 125 | Y | 90.2 | Very high | 90.1 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 28% | 0.275 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.3 | -46 | 176.5 | -178.1 | -96.6 | 0 | 0 | 0 | 111.9 | F65 H121 L122 L123 S128 H129 | F65-Y125 HydrophobicContact CD1-CE1 4.14Å; F65-Y125 AromaticContact CD2-CE1 4Å; F65-Y125 HydrophobicContact CD2-CE1 4Å; F65-Y125 HydrophobicContact CE1-CD1 4.02Å; F65-Y125 AromaticContact CE1-CE1 3.82Å; F65-Y125 HydrophobicContact CE1-CE1 3.82Å; F65-Y125 AromaticContact CE2-CD1 3.83Å; F65-Y125 HydrophobicContact CE2-CD1 3.83Å; F65-Y125 AromaticContact CE2-CE1 3.67Å; F65-Y125 HydrophobicContact CE2-CE1 3.67Å; F65-Y125 HydrophobicContact CG-CE1 4.24Å; F65-Y125 AromaticContact CZ-CD1 3.51Å; F65-Y125 HydrophobicContact CZ-CD1 3.51Å; F65-Y125 AromaticContact CZ-CE1 3.59Å; F65-Y125 HydrophobicContact CZ-CE1 3.59Å; H121-Y125 VanDerWaalsContact O-CB 3.24Å; H121-Y125 WeakPolarHBondContact O-CB 3.36Å; H121-Y125 PolarHBondContact O-N 3.23Å; L122-Y125 PolarHBondContact O-N 3.08Å; L123-Y125 VanDerWaalsContact C-N 3.26Å; L123-Y125 PolarHBondContact O-N 3.4Å; Y125-S128 PolarHBondContact O-N 3.37Å; Y125-H129 HydrophobicContact CE1-CB 4.5Å; Y125-H129 AromaticContact CE1-CD2 3.62Å; Y125-H129 AromaticContact CZ-CD2 3.8Å; Y125-H129 WeakPolarHBondContact O-CB 3.36Å; Y125-H129 PolarHBondContact O-N 2.92Å |
| 126 | I | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 175.1 | -66.1 | 162.8 | 0 | 0 | 0 | 109.9 | F65 L122 L123 S128 H129 Y130 L132 A164 A167 C168 | F65-I126 HydrophobicContact CE1-CG1 3.92Å; F65-I126 HydrophobicContact CZ-CD1 4.45Å; F65-I126 HydrophobicContact CZ-CG1 3.63Å; L122-I126 HydrophobicContact CD1-CD1 4.05Å; L122-I126 HydrophobicContact CD1-CG1 4.28Å; L122-I126 HydrophobicContact CG-CD1 3.93Å; L122-I126 VanDerWaalsContact O-CG1 3.25Å; L122-I126 WeakPolarHBondContact O-CG1 3.25Å; L122-I126 PolarHBondContact O-N 2.84Å; L123-I126 PolarHBondContact O-N 3.2Å; I126-S128 VanDerWaalsContact C-N 3.34Å; I126-S128 PolarHBondContact O-N 3.41Å; I126-H129 PolarHBondContact O-N 2.73Å; I126-Y130 HydrophobicContact CG2-CD2 4.1Å; I126-Y130 WeakPolarHBondContact O-CD2 3.43Å; I126-Y130 PolarHBondContact O-N 2.76Å; I126-L132 HydrophobicContact CG2-CD1 4.28Å; I126-A164 HydrophobicContact CG2-CB 3.8Å; I126-A167 HydrophobicContact CD1-CB 3.99Å; I126-C168 VanDerWaalsContact CG2-SG 3.55Å |
| 127 | Q | 88.1 | Confident | 88.3 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -46.7 | 179.2 | -169.2 | -170.1 | 2.7 | 0 | 0 | 111.8 | L123 Q131 L132 L134 T141 | L123-Q127 WeakPolarHBondContact O-CB 3.43Å; L123-Q127 PolarHBondContact O-N 2.93Å; Q127-Q131 CarbonylContact O-C 3.59Å; Q127-Q131 VanDerWaalsContact O-CA 3.23Å; Q127-Q131 WeakPolarHBondContact O-CA 3.18Å; Q127-Q131 PolarHBondContact O-N 2.81Å; Q127-L132 HydrophobicContact CG-CB 4.1Å; Q127-L132 WeakPolarHBondContact CG-O 3.4Å; Q127-L132 PolarHBondContact NE2-O 3.49Å; Q127-L132 VanDerWaalsContact NE2-O 3.14Å; Q127-L132 PolarHBondContact O-N 3.45Å; Q127-L134 HydrophobicContact CG-CD1 4.12Å; Q127-L134 HydrophobicContact CG-CG 4.36Å; Q127-T141 VanDerWaalsContact OE1-CG2 3.29Å |
| 128 | S | 85.1 | Confident | 87.7 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.6 | -37.7 | 179 | -174.8 | 0 | 0 | 0 | 0 | 113.1 | L124 Y125 I126 | L124-S128 WeakPolarHBondContact O-CB 3.3Å; L124-S128 PolarHBondContact O-N 2.97Å; Y125-S128 PolarHBondContact O-N 3.37Å; I126-S128 VanDerWaalsContact C-N 3.34Å; I126-S128 PolarHBondContact O-N 3.41Å |
| 129 | H | 86.7 | Confident | 86.8 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 17% | 0.167 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -38.4 | -177.4 | -176.1 | -24.4 | 0 | 0 | 0 | 112.8 | F65 Y125 I126 | F65-H129 AromaticContact CD1-CD2 3.71Å; F65-H129 AromaticContact CD1-NE2 3.83Å; F65-H129 AromaticContact CE1-CD2 3.99Å; Y125-H129 HydrophobicContact CE1-CB 4.5Å; Y125-H129 AromaticContact CE1-CD2 3.62Å; Y125-H129 AromaticContact CZ-CD2 3.8Å; Y125-H129 WeakPolarHBondContact O-CB 3.36Å; Y125-H129 PolarHBondContact O-N 2.92Å; I126-H129 PolarHBondContact O-N 2.73Å |
| 130 | Y | 88.2 | Confident | 85.8 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -101.4 | -1.5 | 179.9 | -68.6 | -85.8 | 0 | 0 | 0 | 113.4 | F65 I126 A156 E160 M161 W163 A164 | F65-Y130 HydrophobicContact CD1-CE2 4.2Å; F65-Y130 HydrophobicContact CE1-CE2 4.06Å; I126-Y130 HydrophobicContact CG2-CD2 4.1Å; I126-Y130 WeakPolarHBondContact O-CD2 3.43Å; I126-Y130 PolarHBondContact O-N 2.76Å; Y130-A156 HydrophobicContact CD1-CB 3.67Å; Y130-A156 HydrophobicContact CE1-CB 3.75Å; Y130-E160 HydrophobicContact CE1-CB 4.09Å; Y130-M161 HydrophobicContact CD1-SD 4.02Å; Y130-M161 WeakPolarHBondContact O-CE 3.47Å; Y130-W163 HydrophobicContact CE2-CE3 4.42Å; Y130-W163 AromaticContact CE2-CZ3 3.76Å; Y130-W163 HydrophobicContact CE2-CZ3 3.76Å; Y130-W163 AromaticContact CZ-CZ3 3.88Å; Y130-A164 HydrophobicContact CD1-CB 4.03Å; Y130-A164 HydrophobicContact CD2-CB 3.59Å; Y130-A164 HydrophobicContact CE1-CB 4.46Å; Y130-A164 HydrophobicContact CE2-CB 4.07Å; Y130-A164 HydrophobicContact CG-CB 3.56Å |
| 131 | Q | 86.5 | Confident | 84.2 | Confident | 122 Ų | 122 | 47.3 Ų | 47.3 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 45.3 | -179.5 | -53.9 | -163.7 | -30 | 0 | 0 | 113.6 | Q127 E133 | Q127-Q131 CarbonylContact O-C 3.59Å; Q127-Q131 VanDerWaalsContact O-CA 3.23Å; Q127-Q131 WeakPolarHBondContact O-CA 3.18Å; Q127-Q131 PolarHBondContact O-N 2.81Å; Q131-E133 PolarHBondContact O-N 3.02Å |
| 132 | L | 87 | Confident | 82.3 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | trans | -75.7 | 123 | -179.8 | -54.8 | 176.6 | 0 | 0 | 0 | 111.3 | I126 Q127 L134 M161 A164 | I126-L132 HydrophobicContact CG2-CD1 4.28Å; Q127-L132 HydrophobicContact CG-CB 4.1Å; Q127-L132 WeakPolarHBondContact CG-O 3.4Å; Q127-L132 PolarHBondContact NE2-O 3.49Å; Q127-L132 VanDerWaalsContact NE2-O 3.14Å; Q127-L132 PolarHBondContact O-N 3.45Å; L132-L134 HydrophobicContact CB-CD1 4.15Å; L132-L134 HydrophobicContact CB-CD2 4.32Å; L132-L134 HydrophobicContact CB-CG 3.88Å; L132-L134 HydrophobicContact CD1-CD1 4.36Å; L132-L134 PolarHBondContact O-N 2.85Å; L132-L134 VanDerWaalsContact O-N 3.08Å; L132-M161 HydrophobicContact CD2-CE 3.71Å; L132-A164 HydrophobicContact CD1-CB 4.08Å | ||
| 133 | E | 83.6 | Confident | 80.4 | Confident | 138 Ų | 138 | 53.3 Ų | 53.3 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | trans | -76.3 | 90.3 | 171 | -68 | -166.3 | -155.5 | 0 | 0 | 110 | Q131 Q135 R849 | Q131-E133 PolarHBondContact O-N 3.02Å; E133-Q135 VanDerWaalsContact CA-OE1 3.29Å; E133-R849 IonicContact OE2-CZ 2.82Å; E133-R849 IonicContact OE2-NH2 3.23Å; E133-R849 PolarHBondContact OE2-NH2 3.46Å | ||
| 134 | L | 84.3 | Confident | 78.3 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -114.5 | 9.4 | 179.5 | -54.5 | 179.6 | 0 | 0 | 0 | 112.5 | Q127 L132 D136 C137 I138 C168 V204 | Q127-L134 HydrophobicContact CG-CD1 4.12Å; Q127-L134 HydrophobicContact CG-CG 4.36Å; L132-L134 HydrophobicContact CB-CD1 4.15Å; L132-L134 HydrophobicContact CB-CD2 4.32Å; L132-L134 HydrophobicContact CB-CG 3.88Å; L132-L134 HydrophobicContact CD1-CD1 4.36Å; L132-L134 PolarHBondContact O-N 2.85Å; L132-L134 VanDerWaalsContact O-N 3.08Å; L134-D136 VanDerWaalsContact C-N 3.32Å; L134-D136 PolarHBondContact O-N 3.42Å; L134-C137 CarbonylContact O-C 3.49Å; L134-C137 WeakPolarHBondContact O-CB 3.44Å; L134-C137 PolarHBondContact O-N 2.81Å; L134-I138 HydrophobicContact CB-CD1 3.94Å; L134-I138 HydrophobicContact CB-CG1 4.37Å; L134-I138 HydrophobicContact CD1-CD1 4Å; L134-I138 PolarHBondContact O-N 2.94Å; L134-C168 HydrophobicContact CD1-CB 3.93Å; L134-V204 HydrophobicContact CD2-CG1 4.11Å; L134-V204 HydrophobicContact CD2-CG2 4.32Å | ||
| 135 | Q | 77.8 | Confident | 76.2 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -39.3 | -176.2 | -71.3 | 72.8 | 13.4 | 0 | 0 | 112 | E133 C137 | E133-Q135 VanDerWaalsContact CA-OE1 3.29Å; Q135-C137 PolarHBondContact O-N 3.07Å |
| 136 | D | 73.3 | Confident | 74 | Confident | 100 Ų | 100 | 63 Ų | 63 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -9.1 | 177.3 | -52.3 | -45.1 | 0 | 0 | 0 | 112.6 | L134 R849 | L134-D136 VanDerWaalsContact C-N 3.32Å; L134-D136 PolarHBondContact O-N 3.42Å; D136-R849 IonicContact OD1-NH1 2.76Å; D136-R849 WeakPolarHBondContact OD2-CD 3.49Å; D136-R849 WeakPolarHBondContact OD2-CG 3.35Å; D136-R849 IonicContact OD2-CZ 3.5Å; D136-R849 IonicContact OD2-NE 3.67Å; D136-R849 PolarHBondContact OD2-NE 3.05Å; D136-R849 IonicContact OD2-NH1 2.73Å; D136-R849 PolarHBondContact OD2-NH1 3.43Å |
| 137 | C | 81 | Confident | 71.9 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -26.3 | 179.6 | -56 | 0 | 0 | 0 | 0 | 113.5 | L134 Q135 S203 V204 | L134-C137 CarbonylContact O-C 3.49Å; L134-C137 WeakPolarHBondContact O-CB 3.44Å; L134-C137 PolarHBondContact O-N 2.81Å; Q135-C137 PolarHBondContact O-N 3.07Å; C137-S203 PolarHBondContact SG-O 2.93Å; C137-V204 HydrophobicContact CB-CG2 3.81Å |
| 138 | I | 83.2 | Confident | 70.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -140.3 | 105.3 | -167.9 | -50 | 173.2 | 0 | 0 | 0 | 110.4 | L123 L134 W140 T141 L172 V204 | L123-I138 HydrophobicContact CD1-CD1 4.38Å; L123-I138 HydrophobicContact CD2-CD1 4.16Å; L134-I138 HydrophobicContact CB-CD1 3.94Å; L134-I138 HydrophobicContact CB-CG1 4.37Å; L134-I138 HydrophobicContact CD1-CD1 4Å; L134-I138 PolarHBondContact O-N 2.94Å; I138-W140 VanDerWaalsContact C-N 3.29Å; I138-W140 HydrophobicContact CG2-CD2 4.13Å; I138-W140 HydrophobicContact CG2-CG 4.17Å; I138-W140 HydrophobicContact CG2-CZ2 4.16Å; I138-W140 VanDerWaalsContact CG2-NE1 3.34Å; I138-W140 PolarHBondContact O-N 3.1Å; I138-T141 HydrophobicContact CB-CG2 3.61Å; I138-T141 HydrophobicContact CD1-CG2 4.41Å; I138-T141 HydrophobicContact CG2-CG2 3.71Å; I138-T141 WeakPolarHBondContact O-CG2 3.35Å; I138-T141 PolarHBondContact O-N 3.42Å; I138-T141 PolarHBondContact O-OG1 3.46Å; I138-L172 HydrophobicContact CD1-CD1 3.85Å; I138-L172 HydrophobicContact CD1-CD2 4.45Å; I138-L172 HydrophobicContact CG1-CD1 4.22Å; I138-V204 HydrophobicContact CD1-CG2 4.13Å; I138-V204 HydrophobicContact CG1-CG2 4.22Å | ||
| 139 | D | 76.9 | Confident | 68.4 | Low | 89 Ų | 89 | 71.1 Ų | 71.1 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.6 | -171.9 | 55.4 | 17.3 | 0 | 0 | 0 | 116.7 | R196 Q200 | D139-R196 IonicContact OD1-CZ 3.27Å; D139-R196 IonicContact OD1-NE 3.76Å; D139-R196 IonicContact OD1-NH2 3.5Å; D139-R196 PolarHBondContact OD1-NH2 3.36Å; D139-R196 IonicContact OD2-CZ 2.76Å; D139-R196 VanDerWaalsContact OD2-CZ 3.29Å; D139-R196 IonicContact OD2-NE 2.66Å; D139-R196 PolarHBondContact OD2-NE 3.14Å; D139-R196 IonicContact OD2-NH2 3.82Å; D139-R196 PolarHBondContact OD2-NH2 3.36Å; D139-Q200 PolarHBondContact OD1-NE2 2.79Å; D139-Q200 PolarHBondContact OD2-NE2 3.32Å |
| 140 | W | 75.9 | Confident | 66.4 | Low | 49 Ų | 49 | 81.9 Ų | 81.9 | 19% | 0.186 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 7.5 | 178.7 | 55.1 | -88.9 | 0 | 0 | 0 | 114.6 | Q120 L123 L124 I138 H142 V143 L175 F197 | Q120-W140 HydrophobicContact CB-CH2 4.16Å; Q120-W140 HydrophobicContact CB-CZ3 4.35Å; Q120-W140 HydrophobicContact CG-CH2 4.02Å; Q120-W140 HydrophobicContact CG-CZ3 4.41Å; L123-W140 HydrophobicContact CD1-CH2 4.17Å; L123-W140 HydrophobicContact CD1-CZ2 4.11Å; L123-W140 HydrophobicContact CD2-CH2 4.05Å; L123-W140 HydrophobicContact CD2-CZ2 4.46Å; L123-W140 HydrophobicContact CG-CH2 4.49Å; L124-W140 HydrophobicContact CD1-CZ3 3.93Å; L124-W140 HydrophobicContact CD2-CE3 4.29Å; L124-W140 HydrophobicContact CD2-CZ3 3.86Å; L124-W140 HydrophobicContact CG-CH2 4.48Å; L124-W140 HydrophobicContact CG-CZ3 3.74Å; I138-W140 VanDerWaalsContact C-N 3.29Å; I138-W140 HydrophobicContact CG2-CD2 4.13Å; I138-W140 HydrophobicContact CG2-CG 4.17Å; I138-W140 HydrophobicContact CG2-CZ2 4.16Å; I138-W140 VanDerWaalsContact CG2-NE1 3.34Å; I138-W140 PolarHBondContact O-N 3.1Å; W140-H142 PolarHBondContact O-N 3.27Å; W140-H142 VanDerWaalsContact O-N 3.15Å; W140-V143 PolarHBondContact O-N 2.79Å; W140-L175 HydrophobicContact CZ2-CD1 4.44Å; W140-F197 HydrophobicContact CZ2-CE1 4.42Å |
| 141 | T | 60.6 | Low | 64.7 | Low | 4 Ų | 4 | 89.4 Ų | 89.4 | 3% | 0.025 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.7 | -175.8 | 50.9 | 0 | 0 | 0 | 0 | 115.7 | Q127 I138 V143 | Q127-T141 VanDerWaalsContact OE1-CG2 3.29Å; I138-T141 HydrophobicContact CB-CG2 3.61Å; I138-T141 HydrophobicContact CD1-CG2 4.41Å; I138-T141 HydrophobicContact CG2-CG2 3.71Å; I138-T141 WeakPolarHBondContact O-CG2 3.35Å; I138-T141 PolarHBondContact O-N 3.42Å; I138-T141 PolarHBondContact O-OG1 3.46Å; T141-V143 PolarHBondContact O-N 2.92Å |
| 142 | H | 52.6 | Low | 63.3 | Low | 158 Ų | 158 | 92.6 Ų | 92.6 | 73% | 0.731 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11.5 | 173.5 | -65.5 | -62.5 | 0 | 0 | 0 | 114 | W140 T144 | W140-H142 PolarHBondContact O-N 3.27Å; W140-H142 VanDerWaalsContact O-N 3.15Å; H142-T144 PolarHBondContact O-N 3.06Å |
| 143 | V | 53 | Low | 62 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | trans | -80.1 | 61.4 | 174.8 | -165.5 | 0 | 0 | 0 | 0 | 111.1 | W140 T141 D145 | W140-V143 PolarHBondContact O-N 2.79Å; T141-V143 PolarHBondContact O-N 2.92Å; V143-D145 VanDerWaalsContact C-N 3.28Å; V143-D145 PolarHBondContact O-N 2.81Å | ||
| 144 | T | 49.3 | Very low | 61.3 | Low | 114 Ų | 114 | 93 Ų | 93 | 70% | 0.699 | 48% | 0.482 | S | S | * | . | trans | -72.4 | 88.3 | 158.8 | 55.7 | 0 | 0 | 0 | 0 | 108.2 | H142 P146 | H142-T144 PolarHBondContact O-N 3.06Å; T144-P146 WeakPolarHBondContact O-CD 3.26Å | ||
| 145 | D | 45.4 | Very low | 60.9 | Low | 65 Ų | 65 | 98.6 Ų | 98.6 | 35% | 0.348 | 52% | 0.521 | S | S | . | . | trans | -52 | 120.2 | 175.9 | 175.3 | 5.9 | 0 | 0 | 0 | 110.1 | V143 L147 I148 | V143-D145 VanDerWaalsContact C-N 3.28Å; V143-D145 PolarHBondContact O-N 2.81Å; D145-L147 PolarHBondContact O-N 3.29Å; D145-L147 VanDerWaalsContact OD1-CB 3.3Å; D145-L147 WeakPolarHBondContact OD1-CB 3.34Å; D145-L147 WeakPolarHBondContact OD1-CG 3.25Å; D145-L147 PolarHBondContact OD1-N 3.44Å; D145-I148 HydrophobicContact CB-CD1 4.1Å; D145-I148 HydrophobicContact CB-CG1 4.03Å; D145-I148 PolarHBondContact O-N 2.78Å | ||
| 146 | P | 43.8 | Very low | 61.3 | Low | 122 Ų | 122 | 95.9 Ų | 95.9 | 79% | 0.792 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -19 | 176.9 | -26.2 | 35.7 | 0 | 0 | 0 | 114.5 | T144 | T144-P146 WeakPolarHBondContact O-CD 3.26Š|
| 147 | L | 47.2 | Very low | 62.2 | Low | 154 Ų | 154 | 93.9 Ų | 93.9 | 81% | 0.806 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.8 | 177 | -53.6 | 174.5 | 0 | 0 | 0 | 113.3 | D145 G149 | D145-L147 PolarHBondContact O-N 3.29Å; D145-L147 VanDerWaalsContact OD1-CB 3.3Å; D145-L147 WeakPolarHBondContact OD1-CB 3.34Å; D145-L147 WeakPolarHBondContact OD1-CG 3.25Å; D145-L147 PolarHBondContact OD1-N 3.44Å; L147-G149 PolarHBondContact O-N 3.48Å |
| 148 | I | 53.3 | Low | 62.7 | Low | 52 Ų | 52 | 97 Ų | 97 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -76.6 | 68 | 164 | -57.2 | 176.4 | 0 | 0 | 0 | 107 | D145 | D145-I148 HydrophobicContact CB-CD1 4.1Å; D145-I148 HydrophobicContact CB-CG1 4.03Å; D145-I148 PolarHBondContact O-N 2.78Å |
| 149 | G | 46.6 | Very low | 63.1 | Low | 43 Ų | 43 | 105.5 Ų | 105.5 | 44% | 0.443 | 56% | 0.561 | S | S | . | * | trans | -61.8 | 147.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L147 K151 | L147-G149 PolarHBondContact O-N 3.48Å; G149-K151 VanDerWaalsContact C-N 3.31Å; G149-K151 PolarHBondContact O-N 3.48Å | ||
| 150 | R | 44 | Very low | 63.9 | Low | 262 Ų | 262 | 103.6 Ų | 103.6 | 99% | 0.989 | 55% | 0.549 | S | S | * | . | trans | -48.8 | 80 | -178.7 | -65.2 | 178.4 | 175.7 | 179.2 | -2.8 | 114.2 | ||||
| 151 | K | 54.2 | Low | 64.7 | Low | 170 Ų | 170 | 104.4 Ų | 104.4 | 74% | 0.739 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 153.6 | 159.7 | -68.4 | 174.8 | -175.4 | 171.9 | 0 | 108.3 | G149 | G149-K151 VanDerWaalsContact C-N 3.31Å; G149-K151 PolarHBondContact O-N 3.48Å |
| 152 | K | 55.6 | Low | 66.3 | Low | 190 Ų | 190 | 110.3 Ų | 110.3 | 83% | 0.826 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -64 | 149.6 | 170.7 | -66.6 | -176.1 | 177.1 | -175.9 | 0 | 109.2 | V154 | K152-V154 PolarHBondContact O-N 2.85Š|
| 153 | P | 59.9 | Low | 68.3 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -46.7 | 135.2 | 165.8 | 11.1 | -23.6 | 0 | 0 | 0 | 110.7 | ||
| 154 | V | 69.9 | Low | 70.3 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 133.2 | 170.4 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | K152 A156 | K152-V154 PolarHBondContact O-N 2.85Å; V154-A156 PolarHBondContact O-N 2.73Å |
| 155 | S | 76.4 | Confident | 72.4 | Confident | 125 Ų | 125 | 97.4 Ų | 97.4 | 87% | 0.874 | 51% | 0.508 | S | S | * | . | trans | -74.9 | 73.8 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 156 | A | 85.6 | Confident | 74.8 | Confident | 26 Ų | 26 | 96.3 Ų | 96.3 | 22% | 0.215 | 50% | 0.502 | C | S | . | . | trans | -75.1 | 145.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y130 V154 E160 M161 | Y130-A156 HydrophobicContact CD1-CB 3.67Å; Y130-A156 HydrophobicContact CE1-CB 3.75Å; V154-A156 PolarHBondContact O-N 2.73Å; A156-E160 HydrophobicContact CB-CB 4.06Å; A156-M161 HydrophobicContact CB-CG 4.19Å; A156-M161 HydrophobicContact CB-SD 3.94Å | ||
| 157 | S | 90.9 | Very high | 77.3 | Confident | 57 Ų | 57 | 90.5 Ų | 90.5 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | trans | -79.3 | 164.4 | 170.1 | 67.7 | 0 | 0 | 0 | 0 | 112 | R159 E160 M161 | S157-R159 PolarHBondContact O-N 3.23Å; S157-E160 VanDerWaalsContact CB-OE2 3.27Å; S157-E160 WeakPolarHBondContact CB-OE2 3.28Å; S157-E160 PolarHBondContact N-OE2 3.33Å; S157-E160 WeakPolarHBondContact O-CB 3.41Å; S157-E160 PolarHBondContact O-N 2.84Å; S157-E160 WeakPolarHBondContact OG-CG 3.38Å; S157-E160 PolarHBondContact OG-OE2 2.9Å; S157-M161 PolarHBondContact O-N 2.88Å | ||
| 158 | S | 91.7 | Very high | 79.6 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 71% | 0.713 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.6 | -35.3 | -178.7 | -163.9 | 0 | 0 | 0 | 0 | 113.6 | E160 M161 E162 | S158-E160 VanDerWaalsContact C-N 3.35Å; S158-M161 PolarHBondContact O-N 3.44Å; S158-E162 WeakPolarHBondContact O-CB 3.5Å; S158-E162 PolarHBondContact O-N 2.92Å |
| 159 | R | 92.8 | Very high | 81.7 | Confident | 178 Ų | 178 | 80.8 Ų | 80.8 | 67% | 0.672 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.7 | -30.3 | 177.5 | -67.2 | -177.7 | 178.6 | 179.4 | -1.7 | 112.6 | V69 S157 W163 | V69-R159 HydrophobicContact CG1-CB 4.35Å; V69-R159 HydrophobicContact CG2-CB 3.89Å; S157-R159 PolarHBondContact O-N 3.23Å; R159-W163 VanDerWaalsContact O-CB 3.28Å; R159-W163 WeakPolarHBondContact O-CB 3.3Å; R159-W163 PolarHBondContact O-N 3.39Å |
| 160 | E | 93 | Very high | 84.1 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76.2 | -34.8 | 176.2 | -65.3 | 171.4 | 99.4 | 0 | 0 | 111.5 | P68 V69 Y130 A156 S157 S158 A164 | P68-E160 HydrophobicContact CG-CB 4.46Å; P68-E160 HydrophobicContact CG-CG 3.82Å; V69-E160 HydrophobicContact CG2-CG 3.66Å; Y130-E160 HydrophobicContact CE1-CB 4.09Å; A156-E160 HydrophobicContact CB-CB 4.06Å; S157-E160 VanDerWaalsContact CB-OE2 3.27Å; S157-E160 WeakPolarHBondContact CB-OE2 3.28Å; S157-E160 PolarHBondContact N-OE2 3.33Å; S157-E160 WeakPolarHBondContact O-CB 3.41Å; S157-E160 PolarHBondContact O-N 2.84Å; S157-E160 WeakPolarHBondContact OG-CG 3.38Å; S157-E160 PolarHBondContact OG-OE2 2.9Å; S158-E160 VanDerWaalsContact C-N 3.35Å; E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.29Å; E160-A164 PolarHBondContact O-N 2.75Å |
| 161 | M | 92.8 | Very high | 86.7 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -46.3 | 172.3 | -65.8 | -64.1 | -67 | 0 | 0 | 111.7 | Y130 L132 A156 S157 S158 A164 Q165 | Y130-M161 HydrophobicContact CD1-SD 4.02Å; Y130-M161 WeakPolarHBondContact O-CE 3.47Å; L132-M161 HydrophobicContact CD2-CE 3.71Å; A156-M161 HydrophobicContact CB-CG 4.19Å; A156-M161 HydrophobicContact CB-SD 3.94Å; S157-M161 PolarHBondContact O-N 2.88Å; S158-M161 PolarHBondContact O-N 3.44Å; M161-A164 PolarHBondContact O-N 2.59Å; M161-Q165 PolarHBondContact O-N 3.17Å |
| 162 | E | 93.3 | Very high | 88.8 | Confident | 127 Ų | 127 | 60.3 Ų | 60.3 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.4 | -47.5 | 173.6 | -178.8 | -176.8 | -174.8 | 0 | 0 | 111.5 | S158 A164 Q165 M166 | S158-E162 WeakPolarHBondContact O-CB 3.5Å; S158-E162 PolarHBondContact O-N 2.92Å; E162-A164 PolarHBondContact O-N 3.08Å; E162-Q165 PolarHBondContact O-N 3.24Å; E162-M166 WeakPolarHBondContact O-CB 3.46Å; E162-M166 PolarHBondContact O-N 2.99Å |
| 163 | W | 95.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 8% | 0.076 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.2 | -47.1 | 172.8 | 170.7 | 76.7 | 0 | 0 | 0 | 112.1 | M64 F65 P68 E76 Y130 R159 M166 A167 | M64-W163 HydrophobicContact CB-CH2 4.11Å; M64-W163 HydrophobicContact CB-CZ2 3.97Å; M64-W163 HydrophobicContact CE-CH2 4.18Å; M64-W163 HydrophobicContact CE-CZ2 3.89Å; M64-W163 HydrophobicContact CG-CZ2 4.32Å; F65-W163 HydrophobicContact CD1-CH2 4.36Å; F65-W163 HydrophobicContact CE1-CH2 4.08Å; F65-W163 HydrophobicContact CE1-CZ3 4.32Å; P68-W163 HydrophobicContact CB-CD2 3.52Å; P68-W163 HydrophobicContact CB-CE3 3.35Å; P68-W163 HydrophobicContact CB-CG 4.15Å; P68-W163 HydrophobicContact CB-CH2 4.16Å; P68-W163 HydrophobicContact CB-CZ2 4.31Å; P68-W163 HydrophobicContact CB-CZ3 3.7Å; E76-W163 PolarHBondContact OE1-NE1 3.4Å; Y130-W163 HydrophobicContact CE2-CE3 4.42Å; Y130-W163 AromaticContact CE2-CZ3 3.76Å; Y130-W163 HydrophobicContact CE2-CZ3 3.76Å; Y130-W163 AromaticContact CZ-CZ3 3.88Å; R159-W163 VanDerWaalsContact O-CB 3.28Å; R159-W163 WeakPolarHBondContact O-CB 3.3Å; R159-W163 PolarHBondContact O-N 3.39Å; W163-M166 PolarHBondContact O-N 3.22Å; W163-A167 HydrophobicContact CZ2-CB 4.21Å; W163-A167 WeakPolarHBondContact O-CB 3.5Å; W163-A167 PolarHBondContact O-N 2.68Å |
| 164 | A | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I126 Y130 L132 E160 M161 E162 A167 C168 | I126-A164 HydrophobicContact CG2-CB 3.8Å; Y130-A164 HydrophobicContact CD1-CB 4.03Å; Y130-A164 HydrophobicContact CD2-CB 3.59Å; Y130-A164 HydrophobicContact CE1-CB 4.46Å; Y130-A164 HydrophobicContact CE2-CB 4.07Å; Y130-A164 HydrophobicContact CG-CB 3.56Å; L132-A164 HydrophobicContact CD1-CB 4.08Å; E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.29Å; E160-A164 PolarHBondContact O-N 2.75Å; M161-A164 PolarHBondContact O-N 2.59Å; E162-A164 PolarHBondContact O-N 3.08Å; A164-A167 PolarHBondContact O-N 3.08Å; A164-C168 PolarHBondContact O-N 3.47Å |
| 165 | Q | 94.3 | Very high | 94 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 175 | -175.9 | 175 | -4.2 | 0 | 0 | 111.6 | M161 E162 A167 C168 H169 V204 M205 | M161-Q165 PolarHBondContact O-N 3.17Å; E162-Q165 PolarHBondContact O-N 3.24Å; Q165-A167 PolarHBondContact O-N 3.27Å; Q165-C168 WeakPolarHBondContact O-CB 3.45Å; Q165-C168 PolarHBondContact O-N 3.44Å; Q165-H169 PolarHBondContact O-N 2.83Å; Q165-V204 HydrophobicContact CG-CG1 3.93Å; Q165-V204 PolarHBondContact NE2-O 2.9Å; Q165-V204 VanDerWaalsContact NE2-O 3.14Å; Q165-M205 HydrophobicContact CG-SD 3.87Å |
| 166 | M | 95.6 | Very high | 95 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 21% | 0.207 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -36.4 | 176.2 | -173.6 | 64.2 | 82.6 | 0 | 0 | 112.3 | E162 W163 H169 R170 M205 V208 | E162-M166 WeakPolarHBondContact O-CB 3.46Å; E162-M166 PolarHBondContact O-N 2.99Å; W163-M166 PolarHBondContact O-N 3.22Å; M166-H169 WeakPolarHBondContact O-CB 3.24Å; M166-H169 PolarHBondContact O-N 3.29Å; M166-R170 WeakPolarHBondContact O-CG 3.46Å; M166-R170 PolarHBondContact O-N 3.21Å; M166-M205 HydrophobicContact CE-CE 3.45Å; M166-M205 VanDerWaalsContact CE-CE 3.45Å; M166-M205 HydrophobicContact SD-CE 4.17Å; M166-M205 HydrophobicContact SD-CG 4.44Å; M166-V208 HydrophobicContact CE-CG2 4.09Å |
| 167 | A | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I126 W163 A164 Q165 R170 C171 | I126-A167 HydrophobicContact CD1-CB 3.99Å; W163-A167 HydrophobicContact CZ2-CB 4.21Å; W163-A167 WeakPolarHBondContact O-CB 3.5Å; W163-A167 PolarHBondContact O-N 2.68Å; A164-A167 PolarHBondContact O-N 3.08Å; Q165-A167 PolarHBondContact O-N 3.27Å; A167-R170 PolarHBondContact O-N 3Å; A167-C171 PolarHBondContact O-N 2.96Å; A167-C171 PolarHBondContact O-SG 2.95Å |
| 168 | C | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 170 | -78.9 | 0 | 0 | 0 | 0 | 112.1 | I126 L134 A164 Q165 C171 L172 | I126-C168 VanDerWaalsContact CG2-SG 3.55Å; L134-C168 HydrophobicContact CD1-CB 3.93Å; A164-C168 PolarHBondContact O-N 3.47Å; Q165-C168 WeakPolarHBondContact O-CB 3.45Å; Q165-C168 PolarHBondContact O-N 3.44Å; C168-C171 PolarHBondContact O-N 3.23Å; C168-L172 PolarHBondContact O-N 2.84Å; C168-L172 VanDerWaalsContact O-N 3.12Å |
| 169 | H | 96.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 173.2 | 165.7 | 92.2 | 0 | 0 | 0 | 111.9 | Q165 M166 C171 L172 V173 A201 V204 M205 | Q165-H169 PolarHBondContact O-N 2.83Å; M166-H169 WeakPolarHBondContact O-CB 3.24Å; M166-H169 PolarHBondContact O-N 3.29Å; H169-C171 VanDerWaalsContact C-N 3.35Å; H169-C171 PolarHBondContact O-N 3.43Å; H169-L172 WeakPolarHBondContact O-CB 3.29Å; H169-L172 PolarHBondContact O-N 3.47Å; H169-L172 VanDerWaalsContact O-N 3.11Å; H169-V173 PolarHBondContact O-N 3.4Å; H169-V173 VanDerWaalsContact O-N 3.07Å; H169-A201 PolarHBondContact ND1-O 2.73Å; H169-V204 HydrophobicContact CB-CB 4.48Å; H169-V204 HydrophobicContact CB-CG1 4.19Å; H169-M205 HydrophobicContact CB-CB 4.32Å; H169-M205 HydrophobicContact CB-CG 3.75Å |
| 170 | R | 97.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 21.9 Ų | 21.9 | 16% | 0.155 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.7 | -68.1 | -171.5 | -163.3 | 106.2 | 7.4 | 112.7 | E76 M166 A167 L172 V173 Y174 | E76-R170 IonicContact OE1-NH1 2.68Å; E76-R170 WeakPolarHBondContact OE2-CD 3.44Å; E76-R170 IonicContact OE2-CZ 2.68Å; E76-R170 IonicContact OE2-NE 2.63Å; E76-R170 IonicContact OE2-NH1 3.85Å; E76-R170 PolarHBondContact OE2-NH1 3.3Å; M166-R170 WeakPolarHBondContact O-CG 3.46Å; M166-R170 PolarHBondContact O-N 3.21Å; A167-R170 PolarHBondContact O-N 3Å; R170-L172 VanDerWaalsContact C-N 3.26Å; R170-L172 PolarHBondContact O-N 3.16Å; R170-V173 PolarHBondContact O-N 3.32Å; R170-Y174 HydrophobicContact CB-CD2 4.44Å; R170-Y174 HydrophobicContact CB-CE2 3.88Å; R170-Y174 WeakPolarHBondContact O-CD2 3.49Å; R170-Y174 PolarHBondContact O-N 3.24Å |
| 171 | C | 97.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.034 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59 | -37.3 | 173.5 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | Y119 L123 A167 C168 H169 L175 | Y119-C171 HydrophobicContact CD1-CB 4.31Å; L123-C171 HydrophobicContact CB-CB 4.11Å; L123-C171 HydrophobicContact CD1-CB 4.2Å; L123-C171 HydrophobicContact CG-CB 4.47Å; A167-C171 PolarHBondContact O-N 2.96Å; A167-C171 PolarHBondContact O-SG 2.95Å; C168-C171 PolarHBondContact O-N 3.23Å; H169-C171 VanDerWaalsContact C-N 3.35Å; H169-C171 PolarHBondContact O-N 3.43Å; C171-L175 WeakPolarHBondContact O-CB 3.45Å; C171-L175 WeakPolarHBondContact O-CD1 3.39Å; C171-L175 WeakPolarHBondContact O-CG 3.38Å; C171-L175 PolarHBondContact O-N 2.72Å |
| 172 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.9 | -41.4 | 174.6 | -68.2 | 164.6 | 0 | 0 | 0 | 112.1 | L123 I138 C168 H169 R170 L175 G176 F197 Q200 A201 V204 | L123-L172 HydrophobicContact CD1-CD1 4.4Å; L123-L172 HydrophobicContact CD1-CD2 3.6Å; L123-L172 HydrophobicContact CD1-CG 3.66Å; I138-L172 HydrophobicContact CD1-CD1 3.85Å; I138-L172 HydrophobicContact CD1-CD2 4.45Å; I138-L172 HydrophobicContact CG1-CD1 4.22Å; C168-L172 PolarHBondContact O-N 2.84Å; C168-L172 VanDerWaalsContact O-N 3.12Å; H169-L172 WeakPolarHBondContact O-CB 3.29Å; H169-L172 PolarHBondContact O-N 3.47Å; H169-L172 VanDerWaalsContact O-N 3.11Å; R170-L172 VanDerWaalsContact C-N 3.26Å; R170-L172 PolarHBondContact O-N 3.16Å; L172-L175 PolarHBondContact O-N 3.38Å; L172-G176 PolarHBondContact O-N 3.19Å; L172-F197 HydrophobicContact CD2-CD1 4.09Å; L172-Q200 HydrophobicContact CD1-CB 4.09Å; L172-Q200 HydrophobicContact CD2-CB 4.08Å; L172-A201 HydrophobicContact CB-CB 3.76Å; L172-V204 HydrophobicContact CD1-CG2 3.79Å |
| 173 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 173 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | H169 R170 L175 G176 D177 Y198 A201 M210 P211 Q214 | H169-V173 PolarHBondContact O-N 3.4Å; H169-V173 VanDerWaalsContact O-N 3.07Å; R170-V173 PolarHBondContact O-N 3.32Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.45Å; V173-G176 CarbonylContact O-C 3.55Å; V173-G176 WeakPolarHBondContact O-CA 3.41Å; V173-G176 PolarHBondContact O-N 2.96Å; V173-D177 PolarHBondContact O-N 2.86Å; V173-Y198 HydrophobicContact CG1-CE1 4.38Å; V173-A201 HydrophobicContact CG2-CB 3.87Å; V173-M210 HydrophobicContact CG1-CG 4.37Å; V173-M210 HydrophobicContact CG1-SD 4.25Å; V173-P211 HydrophobicContact CG2-CG 4.05Å; V173-Q214 HydrophobicContact CG1-CG 4.16Å |
| 174 | Y | 98.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 16.2 Ų | 16.2 | 11% | 0.106 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.8 | -31.1 | 178.7 | -57.3 | -32.4 | 0 | 0 | 0 | 113.4 | W80 Y119 R170 L178 | W80-Y174 HydrophobicContact CB-CD1 4.49Å; W80-Y174 HydrophobicContact CB-CD2 4.4Å; W80-Y174 HydrophobicContact CB-CE1 4.09Å; W80-Y174 HydrophobicContact CB-CE2 3.98Å; W80-Y174 AromaticContact CD1-CD1 3.83Å; W80-Y174 AromaticContact CD1-CE1 3.37Å; W80-Y174 AromaticContact CD1-CZ 3.89Å; W80-Y174 AromaticContact CD2-CD1 3.47Å; W80-Y174 HydrophobicContact CD2-CD1 3.47Å; W80-Y174 VanDerWaalsContact CD2-CD1 3.47Å; W80-Y174 HydrophobicContact CD2-CD2 4.39Å; W80-Y174 AromaticContact CD2-CE1 3.81Å; W80-Y174 HydrophobicContact CD2-CE1 3.81Å; W80-Y174 AromaticContact CD2-CG 3.8Å; W80-Y174 HydrophobicContact CD2-CG 3.8Å; W80-Y174 AromaticContact CE2-CD1 3.45Å; W80-Y174 VanDerWaalsContact CE2-CD1 3.45Å; W80-Y174 AromaticContact CE2-CE1 3.85Å; W80-Y174 AromaticContact CE3-CD1 3.97Å; W80-Y174 HydrophobicContact CE3-CD1 3.97Å; W80-Y174 HydrophobicContact CE3-CD2 4.42Å; W80-Y174 AromaticContact CE3-CG 3.84Å; W80-Y174 HydrophobicContact CE3-CG 3.84Å; W80-Y174 AromaticContact CG-CD1 3.71Å; W80-Y174 HydrophobicContact CG-CD1 3.71Å; W80-Y174 HydrophobicContact CG-CD2 4.41Å; W80-Y174 AromaticContact CG-CE1 3.5Å; W80-Y174 HydrophobicContact CG-CE1 3.5Å; W80-Y174 HydrophobicContact CG-CE2 4.21Å; W80-Y174 HydrophobicContact CG-CG 4.18Å; W80-Y174 AromaticContact CG-CZ 3.77Å; W80-Y174 HydrophobicContact CH2-CD1 4.38Å; W80-Y174 AromaticContact CZ2-CD1 3.93Å; W80-Y174 HydrophobicContact CZ2-CD1 3.93Å; W80-Y174 HydrophobicContact CZ3-CD1 4.4Å; W80-Y174 HydrophobicContact CZ3-CG 4.25Å; W80-Y174 AromaticContact NE1-CD1 3.67Å; W80-Y174 AromaticContact NE1-CE1 3.56Å; Y119-Y174 HydrophobicContact CD1-CD2 4.16Å; Y119-Y174 AromaticContact CE1-CD2 3.51Å; Y119-Y174 HydrophobicContact CE1-CD2 3.51Å; Y119-Y174 HydrophobicContact CE1-CE2 4.3Å; Y119-Y174 HydrophobicContact CE1-CG 4.33Å; Y119-Y174 AromaticContact CZ-CD2 3.79Å; R170-Y174 HydrophobicContact CB-CD2 4.44Å; R170-Y174 HydrophobicContact CB-CE2 3.88Å; R170-Y174 WeakPolarHBondContact O-CD2 3.49Å; R170-Y174 PolarHBondContact O-N 3.24Å; Y174-L178 WeakPolarHBondContact O-CB 3.5Å; Y174-L178 WeakPolarHBondContact O-CD1 3.45Å; Y174-L178 WeakPolarHBondContact O-CG 3.15Å; Y174-L178 PolarHBondContact O-N 3.28Å |
| 175 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 170.8 | -75.9 | 167.6 | 0 | 0 | 0 | 111.8 | V116 Q120 L123 W140 C171 L172 V173 L178 A179 F197 | V116-L175 HydrophobicContact CB-CD2 4.34Å; V116-L175 HydrophobicContact CG1-CD2 3.99Å; V116-L175 WeakPolarHBondContact O-CD2 3.32Å; Q120-L175 HydrophobicContact CG-CD1 4.12Å; Q120-L175 HydrophobicContact CG-CD2 3.89Å; L123-L175 HydrophobicContact CD1-CD1 4.48Å; W140-L175 HydrophobicContact CZ2-CD1 4.44Å; C171-L175 WeakPolarHBondContact O-CB 3.45Å; C171-L175 WeakPolarHBondContact O-CD1 3.39Å; C171-L175 WeakPolarHBondContact O-CG 3.38Å; C171-L175 PolarHBondContact O-N 2.72Å; L172-L175 PolarHBondContact O-N 3.38Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.45Å; L175-L178 PolarHBondContact O-N 2.89Å; L175-A179 WeakPolarHBondContact O-CB 3.47Å; L175-A179 PolarHBondContact O-N 3.17Å; L175-F197 HydrophobicContact CB-CB 4.42Å; L175-F197 HydrophobicContact CB-CD1 3.96Å; L175-F197 HydrophobicContact CB-CD2 3.79Å; L175-F197 HydrophobicContact CB-CE1 4.1Å; L175-F197 HydrophobicContact CB-CE2 3.92Å; L175-F197 HydrophobicContact CB-CG 3.82Å; L175-F197 HydrophobicContact CB-CZ 4.08Å; L175-F197 HydrophobicContact CD1-CD1 4.39Å; L175-F197 HydrophobicContact CD1-CE1 4.05Å; L175-F197 HydrophobicContact CD1-CZ 4.39Å |
| 176 | G | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L172 V173 A179 R180 A194 Y198 | L172-G176 PolarHBondContact O-N 3.19Å; V173-G176 CarbonylContact O-C 3.55Å; V173-G176 WeakPolarHBondContact O-CA 3.41Å; V173-G176 PolarHBondContact O-N 2.96Å; G176-A179 PolarHBondContact O-N 3.14Å; G176-R180 WeakPolarHBondContact O-CB 3.39Å; G176-R180 PolarHBondContact O-N 3.19Å; G176-A194 WeakPolarHBondContact O-CB 3.16Å; G176-Y198 PolarHBondContact O-OH 3.11Å; G176-Y198 VanDerWaalsContact O-OH 3.12Å |
| 177 | D | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 175.8 | -76.8 | -51.3 | 0 | 0 | 0 | 111.1 | W80 V173 A179 R180 Y181 Y198 Q214 | W80-D177 HydrophobicContact CH2-CB 3.66Å; W80-D177 HydrophobicContact CZ2-CB 3.66Å; V173-D177 PolarHBondContact O-N 2.86Å; D177-A179 VanDerWaalsContact C-N 3.33Å; D177-A179 PolarHBondContact O-N 3.46Å; D177-R180 PolarHBondContact O-N 2.86Å; D177-R180 IonicContact OD1-CZ 3.61Å; D177-R180 VanDerWaalsContact OD1-CZ 3.22Å; D177-R180 IonicContact OD1-NH1 3.24Å; D177-R180 PolarHBondContact OD1-NH1 3.35Å; D177-R180 IonicContact OD1-NH2 3.99Å; D177-R180 PolarHBondContact OD1-NH2 3.17Å; D177-Y181 HydrophobicContact CB-CD2 4.34Å; D177-Y181 HydrophobicContact CB-CE2 4.03Å; D177-Y181 WeakPolarHBondContact O-CD2 3.46Å; D177-Y181 PolarHBondContact O-N 2.64Å; D177-Y198 WeakPolarHBondContact CA-OH 3.32Å; D177-Y198 PolarHBondContact N-OH 3.42Å; D177-Y198 VanDerWaalsContact N-OH 3.13Å; D177-Y198 PolarHBondContact OD1-OH 3.14Å; D177-Q214 PolarHBondContact OD1-NE2 3.37Å |
| 178 | L | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 177.7 | -74.2 | 165.2 | 0 | 0 | 0 | 112 | W80 I88 L112 V116 Y119 Y174 L175 Y181 Q182 | W80-L178 HydrophobicContact CH2-CD2 4.43Å; W80-L178 HydrophobicContact CH2-CG 4.07Å; W80-L178 HydrophobicContact CZ3-CD1 4.2Å; W80-L178 HydrophobicContact CZ3-CD2 4.25Å; W80-L178 HydrophobicContact CZ3-CG 3.96Å; I88-L178 HydrophobicContact CD1-CD2 4.07Å; L112-L178 HydrophobicContact CD2-CD2 3.73Å; V116-L178 HydrophobicContact CG2-CB 3.81Å; V116-L178 HydrophobicContact CG2-CD1 4.26Å; Y119-L178 HydrophobicContact CD2-CD1 3.84Å; Y119-L178 HydrophobicContact CE2-CD1 4.38Å; Y174-L178 WeakPolarHBondContact O-CB 3.5Å; Y174-L178 WeakPolarHBondContact O-CD1 3.45Å; Y174-L178 WeakPolarHBondContact O-CG 3.15Å; Y174-L178 PolarHBondContact O-N 3.28Å; L175-L178 PolarHBondContact O-N 2.89Å; L178-Y181 PolarHBondContact O-N 3.46Å; L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 3.18Å |
| 179 | A | 96.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L175 G176 D177 Y181 Q182 N183 A190 L193 A194 F197 | L175-A179 WeakPolarHBondContact O-CB 3.47Å; L175-A179 PolarHBondContact O-N 3.17Å; G176-A179 PolarHBondContact O-N 3.14Å; D177-A179 VanDerWaalsContact C-N 3.33Å; D177-A179 PolarHBondContact O-N 3.46Å; A179-Y181 VanDerWaalsContact C-N 3.35Å; A179-Y181 PolarHBondContact O-N 3.13Å; A179-Q182 WeakPolarHBondContact O-CB 3.45Å; A179-Q182 PolarHBondContact O-N 3.32Å; A179-N183 PolarHBondContact O-N 3.33Å; A179-A190 HydrophobicContact CB-CB 4.45Å; A179-A190 WeakPolarHBondContact O-CB 3.38Å; A179-L193 HydrophobicContact CB-CB 4.47Å; A179-L193 HydrophobicContact CB-CD2 4.44Å; A179-L193 HydrophobicContact CB-CG 4.25Å; A179-A194 HydrophobicContact CB-CB 3.8Å; A179-F197 HydrophobicContact CB-CD2 4.4Å |
| 180 | R | 96 | Very high | 92.5 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 173.6 | -172.5 | -172.5 | 66.5 | -125.5 | -18.8 | 111.3 | G176 D177 Q182 N183 E184 A194 Y198 L218 | G176-R180 WeakPolarHBondContact O-CB 3.39Å; G176-R180 PolarHBondContact O-N 3.19Å; D177-R180 PolarHBondContact O-N 2.86Å; D177-R180 IonicContact OD1-CZ 3.61Å; D177-R180 VanDerWaalsContact OD1-CZ 3.22Å; D177-R180 IonicContact OD1-NH1 3.24Å; D177-R180 PolarHBondContact OD1-NH1 3.35Å; D177-R180 IonicContact OD1-NH2 3.99Å; D177-R180 PolarHBondContact OD1-NH2 3.17Å; R180-Q182 PolarHBondContact O-N 3Å; R180-N183 WeakPolarHBondContact O-CA 3.37Å; R180-N183 VanDerWaalsContact O-CB 3.29Å; R180-N183 WeakPolarHBondContact O-CB 2.98Å; R180-N183 PolarHBondContact O-N 3.45Å; R180-N183 VanDerWaalsContact O-N 3.12Å; R180-E184 WeakPolarHBondContact CD-OE1 3.32Å; R180-E184 HydrophobicContact CG-CG 4.39Å; R180-E184 WeakPolarHBondContact CG-OE1 3.41Å; R180-E184 IonicContact NE-OE1 2.96Å; R180-E184 PolarHBondContact NE-OE1 3.26Å; R180-E184 VanDerWaalsContact NE-OE1 3.14Å; R180-E184 WeakPolarHBondContact O-CG 3.29Å; R180-E184 PolarHBondContact O-N 2.95Å; R180-A194 HydrophobicContact CB-CB 4.25Å; R180-Y198 PolarHBondContact NH1-OH 2.94Å; R180-L218 HydrophobicContact CB-CD1 4.31Å; R180-L218 HydrophobicContact CG-CD1 3.84Å |
| 181 | Y | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.4 | -27.4 | 176.9 | -63.9 | -54.1 | 0 | 0 | 0 | 113.3 | I88 D177 L178 A179 N183 L185 N587 | I88-Y181 HydrophobicContact CD1-CD2 3.85Å; I88-Y181 HydrophobicContact CD1-CE2 4.14Å; I88-Y181 HydrophobicContact CG2-CD1 3.71Å; I88-Y181 HydrophobicContact CG2-CD2 3.78Å; I88-Y181 HydrophobicContact CG2-CE1 3.82Å; I88-Y181 HydrophobicContact CG2-CE2 3.89Å; I88-Y181 HydrophobicContact CG2-CG 3.69Å; D177-Y181 HydrophobicContact CB-CD2 4.34Å; D177-Y181 HydrophobicContact CB-CE2 4.03Å; D177-Y181 WeakPolarHBondContact O-CD2 3.46Å; D177-Y181 PolarHBondContact O-N 2.64Å; L178-Y181 PolarHBondContact O-N 3.46Å; A179-Y181 VanDerWaalsContact C-N 3.35Å; A179-Y181 PolarHBondContact O-N 3.13Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; Y181-L185 HydrophobicContact CD1-CD1 4.37Å; Y181-L185 WeakPolarHBondContact O-CB 3.44Å; Y181-L185 PolarHBondContact O-N 2.78Å; Y181-N587 PolarHBondContact OH-OD1 2.92Å |
| 182 | Q | 92.8 | Very high | 92 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | 167.3 | -75 | 175.3 | -33 | 0 | 0 | 111.2 | L112 L178 A179 R180 A186 G187 V188 A190 | L112-Q182 HydrophobicContact CB-CG 3.99Å; L112-Q182 HydrophobicContact CD1-CB 4.45Å; L112-Q182 HydrophobicContact CD1-CG 3.7Å; L112-Q182 HydrophobicContact CG-CG 4.43Å; L178-Q182 WeakPolarHBondContact O-CG 3.46Å; L178-Q182 PolarHBondContact O-N 3.18Å; A179-Q182 WeakPolarHBondContact O-CB 3.45Å; A179-Q182 PolarHBondContact O-N 3.32Å; R180-Q182 PolarHBondContact O-N 3Å; Q182-A186 CarbonylContact O-C 3.54Å; Q182-A186 WeakPolarHBondContact O-CA 3.35Å; Q182-A186 VanDerWaalsContact O-CB 3.3Å; Q182-A186 WeakPolarHBondContact O-CB 3.47Å; Q182-A186 PolarHBondContact O-N 3.32Å; Q182-G187 PolarHBondContact O-N 3.46Å; Q182-V188 HydrophobicContact CB-CB 4.37Å; Q182-V188 PolarHBondContact O-N 3.07Å; Q182-A190 HydrophobicContact CB-CB 4.29Å |
| 183 | N | 90.4 | Very high | 91.9 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 32% | 0.321 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.9 | -56.1 | 173.6 | -152.6 | 87.6 | 0 | 0 | 0 | 111.8 | A179 R180 Y181 L185 V188 A190 E191 | A179-N183 PolarHBondContact O-N 3.33Å; R180-N183 WeakPolarHBondContact O-CA 3.37Å; R180-N183 VanDerWaalsContact O-CB 3.29Å; R180-N183 WeakPolarHBondContact O-CB 2.98Å; R180-N183 PolarHBondContact O-N 3.45Å; R180-N183 VanDerWaalsContact O-N 3.12Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; N183-L185 PolarHBondContact O-N 3.23Å; N183-V188 VanDerWaalsContact CA-O 3.28Å; N183-V188 WeakPolarHBondContact CA-O 3.39Å; N183-V188 PolarHBondContact OD1-O 3.3Å; N183-A190 HydrophobicContact CB-CB 4.31Å; N183-A190 PolarHBondContact OD1-N 2.9Å; N183-E191 PolarHBondContact OD1-N 3.37Å; N183-E191 VanDerWaalsContact OD1-N 3.11Å |
| 184 | E | 87.7 | Confident | 91.8 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -32.5 | -176.2 | -70.1 | 178.8 | -140.5 | 0 | 0 | 115.3 | K92 K95 R180 | K92-E184 WeakPolarHBondContact CE-OE2 3.49Å; K92-E184 IonicContact NZ-OE1 3.93Å; K92-E184 IonicContact NZ-OE2 2.76Å; K92-E184 PolarHBondContact NZ-OE2 2.86Å; K95-E184 PolarHBondContact NZ-O 2.96Å; R180-E184 WeakPolarHBondContact CD-OE1 3.32Å; R180-E184 HydrophobicContact CG-CG 4.39Å; R180-E184 WeakPolarHBondContact CG-OE1 3.41Å; R180-E184 IonicContact NE-OE1 2.96Å; R180-E184 PolarHBondContact NE-OE1 3.26Å; R180-E184 VanDerWaalsContact NE-OE1 3.14Å; R180-E184 WeakPolarHBondContact O-CG 3.29Å; R180-E184 PolarHBondContact O-N 2.95Å |
| 185 | L | 84.3 | Confident | 91.7 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -132.1 | -12.3 | -162.8 | -61.1 | 167.9 | 0 | 0 | 0 | 114.8 | I88 I91 K92 K95 Y108 Y181 N183 | I88-L185 HydrophobicContact CG2-CD1 4.41Å; I91-L185 HydrophobicContact CG2-CD1 4.45Å; K92-L185 HydrophobicContact CB-CD1 4.08Å; K92-L185 HydrophobicContact CG-CD1 4.4Å; K95-L185 HydrophobicContact CD-CD2 3.74Å; K95-L185 HydrophobicContact CG-CD2 4.33Å; Y108-L185 HydrophobicContact CE1-CB 3.65Å; Y108-L185 HydrophobicContact CE1-CD1 4.32Å; Y108-L185 VanDerWaalsContact OH-CD1 3.25Å; Y108-L185 WeakPolarHBondContact OH-CD1 3.44Å; Y181-L185 HydrophobicContact CD1-CD1 4.37Å; Y181-L185 WeakPolarHBondContact O-CB 3.44Å; Y181-L185 PolarHBondContact O-N 2.78Å; N183-L185 PolarHBondContact O-N 3.23Å |
| 186 | A | 79.1 | Confident | 91.6 | Very high | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -115.8 | -2.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | R109 Q182 V188 | R109-A186 HydrophobicContact CG-CB 3.94Å; R109-A186 PolarHBondContact NH1-O 2.87Å; R109-A186 PolarHBondContact NH2-O 3.18Å; Q182-A186 CarbonylContact O-C 3.54Å; Q182-A186 WeakPolarHBondContact O-CA 3.35Å; Q182-A186 VanDerWaalsContact O-CB 3.3Å; Q182-A186 WeakPolarHBondContact O-CB 3.47Å; Q182-A186 PolarHBondContact O-N 3.32Å; A186-V188 HydrophobicContact CB-CG2 4.09Å; A186-V188 PolarHBondContact O-N 3.35Å |
| 187 | G | 75.5 | Confident | 91.5 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 74% | 0.742 | 25% | 0.246 | S | C | * | . | trans | 58.2 | 38.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q182 | Q182-G187 PolarHBondContact O-N 3.46Š| ||
| 188 | V | 83.6 | Confident | 91.6 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 39% | 0.394 | 25% | 0.246 | S | C | . | . | trans | -103.8 | 127.1 | 172.6 | 180 | 0 | 0 | 0 | 0 | 106.9 | Q182 N183 A186 A190 | Q182-V188 HydrophobicContact CB-CB 4.37Å; Q182-V188 PolarHBondContact O-N 3.07Å; N183-V188 VanDerWaalsContact CA-O 3.28Å; N183-V188 WeakPolarHBondContact CA-O 3.39Å; N183-V188 PolarHBondContact OD1-O 3.3Å; A186-V188 HydrophobicContact CB-CG2 4.09Å; A186-V188 PolarHBondContact O-N 3.35Å; V188-A190 VanDerWaalsContact C-N 3.32Å; V188-A190 HydrophobicContact CG1-CB 4.38Å; V188-A190 WeakPolarHBondContact O-CB 3.31Å; V188-A190 PolarHBondContact O-N 2.93Å | ||
| 189 | E | 89.1 | Confident | 91.5 | Very high | 197 Ų | 197 | 51.1 Ų | 51.1 | 92% | 0.921 | 26% | 0.263 | S | S | * | . | trans | -66.3 | 91 | 176.4 | -67.2 | 175.2 | -177.5 | 0 | 0 | 109.9 | ||||
| 190 | A | 91.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | trans | -130.4 | 4.3 | -169 | 0 | 0 | 0 | 0 | 0 | 112.9 | A179 Q182 N183 V188 Q192 L193 A194 | A179-A190 HydrophobicContact CB-CB 4.45Å; A179-A190 WeakPolarHBondContact O-CB 3.38Å; Q182-A190 HydrophobicContact CB-CB 4.29Å; N183-A190 HydrophobicContact CB-CB 4.31Å; N183-A190 PolarHBondContact OD1-N 2.9Å; V188-A190 VanDerWaalsContact C-N 3.32Å; V188-A190 HydrophobicContact CG1-CB 4.38Å; V188-A190 WeakPolarHBondContact O-CB 3.31Å; V188-A190 PolarHBondContact O-N 2.93Å; A190-Q192 PolarHBondContact O-N 2.9Å; A190-L193 WeakPolarHBondContact O-CB 3.08Å; A190-L193 PolarHBondContact O-N 3.03Å; A190-A194 PolarHBondContact O-N 3.07Å | ||
| 191 | E | 92.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53.9 | -53.2 | 176.2 | 173 | 164.5 | -121.8 | 0 | 0 | 112.5 | N183 L193 A194 E195 L218 K222 | N183-E191 PolarHBondContact OD1-N 3.37Å; N183-E191 VanDerWaalsContact OD1-N 3.11Å; E191-L193 PolarHBondContact O-N 3.35Å; E191-A194 WeakPolarHBondContact O-CB 3.35Å; E191-A194 PolarHBondContact O-N 3.49Å; E191-A194 VanDerWaalsContact O-N 3.09Å; E191-E195 PolarHBondContact O-N 2.81Å; E191-L218 HydrophobicContact CG-CD1 4.12Å; E191-L218 HydrophobicContact CG-CD2 4.28Å; E191-L218 HydrophobicContact CG-CG 4.18Å; E191-K222 IonicContact OE1-NZ 3.05Å; E191-K222 PolarHBondContact OE1-NZ 3.12Å; E191-K222 IonicContact OE2-NZ 2.7Å; E191-K222 PolarHBondContact OE2-NZ 3.06Å |
| 192 | Q | 93.9 | Very high | 91.4 | Very high | 162 Ų | 162 | 52.1 Ų | 52.1 | 76% | 0.757 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.7 | -31.2 | 179.1 | -64.5 | 178.7 | 1.3 | 0 | 0 | 112.6 | A190 R196 | A190-Q192 PolarHBondContact O-N 2.9Å; Q192-R196 WeakPolarHBondContact O-CB 3.19Å; Q192-R196 PolarHBondContact O-N 3.26Å |
| 193 | L | 94.6 | Very high | 91.3 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.7 | -39 | 176.2 | -178.3 | 61.2 | 0 | 0 | 0 | 111.3 | A179 A190 E191 F197 | A179-L193 HydrophobicContact CB-CB 4.47Å; A179-L193 HydrophobicContact CB-CD2 4.44Å; A179-L193 HydrophobicContact CB-CG 4.25Å; A190-L193 WeakPolarHBondContact O-CB 3.08Å; A190-L193 PolarHBondContact O-N 3.03Å; E191-L193 PolarHBondContact O-N 3.35Å; L193-F197 HydrophobicContact CD1-CD2 4.16Å; L193-F197 HydrophobicContact CD1-CE2 3.61Å; L193-F197 HydrophobicContact CD1-CZ 3.94Å; L193-F197 HydrophobicContact CD2-CE2 4.19Å; L193-F197 HydrophobicContact CG-CD2 4.05Å; L193-F197 HydrophobicContact CG-CE2 3.63Å; L193-F197 HydrophobicContact CG-CZ 4.42Å; L193-F197 WeakPolarHBondContact O-CD2 3.43Å; L193-F197 PolarHBondContact O-N 3.44Å; L193-F197 VanDerWaalsContact O-N 3.07Å |
| 194 | A | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G176 A179 R180 A190 E191 R196 F197 Y198 L218 | G176-A194 WeakPolarHBondContact O-CB 3.16Å; A179-A194 HydrophobicContact CB-CB 3.8Å; R180-A194 HydrophobicContact CB-CB 4.25Å; A190-A194 PolarHBondContact O-N 3.07Å; E191-A194 WeakPolarHBondContact O-CB 3.35Å; E191-A194 PolarHBondContact O-N 3.49Å; E191-A194 VanDerWaalsContact O-N 3.09Å; A194-R196 PolarHBondContact O-N 3.26Å; A194-F197 PolarHBondContact O-N 2.93Å; A194-Y198 HydrophobicContact CB-CE2 4.04Å; A194-Y198 WeakPolarHBondContact O-CD2 3.33Å; A194-Y198 PolarHBondContact O-N 3.37Å; A194-L218 HydrophobicContact CB-CD1 4.14Å; A194-L218 HydrophobicContact CB-CD2 4.08Å |
| 195 | E | 95.9 | Very high | 91.6 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.1 | -49.2 | 175.5 | -177.8 | 168.6 | -149.8 | 0 | 0 | 111.6 | E191 F197 Y198 H199 L215 L218 | E191-E195 PolarHBondContact O-N 2.81Å; E195-F197 PolarHBondContact O-N 3.33Å; E195-Y198 PolarHBondContact O-N 3.24Å; E195-H199 PolarHBondContact O-CD2 3.25Å; E195-H199 PolarHBondContact O-N 2.8Å; E195-L215 HydrophobicContact CB-CD2 4.37Å; E195-L215 HydrophobicContact CG-CD2 3.93Å; E195-L218 HydrophobicContact CB-CD2 3.85Å |
| 196 | R | 95.1 | Very high | 91.9 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 175.8 | 178.5 | 170.4 | 167.2 | -153.5 | -5.7 | 112.6 | D139 Q192 A194 H199 Q200 | D139-R196 IonicContact OD1-CZ 3.27Å; D139-R196 IonicContact OD1-NE 3.76Å; D139-R196 IonicContact OD1-NH2 3.5Å; D139-R196 PolarHBondContact OD1-NH2 3.36Å; D139-R196 IonicContact OD2-CZ 2.76Å; D139-R196 VanDerWaalsContact OD2-CZ 3.29Å; D139-R196 IonicContact OD2-NE 2.66Å; D139-R196 PolarHBondContact OD2-NE 3.14Å; D139-R196 IonicContact OD2-NH2 3.82Å; D139-R196 PolarHBondContact OD2-NH2 3.36Å; Q192-R196 WeakPolarHBondContact O-CB 3.19Å; Q192-R196 PolarHBondContact O-N 3.26Å; A194-R196 PolarHBondContact O-N 3.26Å; R196-H199 PolarHBondContact O-N 2.8Å; R196-Q200 WeakPolarHBondContact O-CB 3.48Å; R196-Q200 WeakPolarHBondContact O-CG 3.06Å; R196-Q200 PolarHBondContact O-N 3.2Å |
| 197 | F | 97.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 177.6 | -76.3 | -49.5 | 0 | 0 | 0 | 113 | W140 L172 L175 A179 L193 A194 E195 Q200 A201 | W140-F197 HydrophobicContact CZ2-CE1 4.42Å; L172-F197 HydrophobicContact CD2-CD1 4.09Å; L175-F197 HydrophobicContact CB-CB 4.42Å; L175-F197 HydrophobicContact CB-CD1 3.96Å; L175-F197 HydrophobicContact CB-CD2 3.79Å; L175-F197 HydrophobicContact CB-CE1 4.1Å; L175-F197 HydrophobicContact CB-CE2 3.92Å; L175-F197 HydrophobicContact CB-CG 3.82Å; L175-F197 HydrophobicContact CB-CZ 4.08Å; L175-F197 HydrophobicContact CD1-CD1 4.39Å; L175-F197 HydrophobicContact CD1-CE1 4.05Å; L175-F197 HydrophobicContact CD1-CZ 4.39Å; A179-F197 HydrophobicContact CB-CD2 4.4Å; L193-F197 HydrophobicContact CD1-CD2 4.16Å; L193-F197 HydrophobicContact CD1-CE2 3.61Å; L193-F197 HydrophobicContact CD1-CZ 3.94Å; L193-F197 HydrophobicContact CD2-CE2 4.19Å; L193-F197 HydrophobicContact CG-CD2 4.05Å; L193-F197 HydrophobicContact CG-CE2 3.63Å; L193-F197 HydrophobicContact CG-CZ 4.42Å; L193-F197 WeakPolarHBondContact O-CD2 3.43Å; L193-F197 PolarHBondContact O-N 3.44Å; L193-F197 VanDerWaalsContact O-N 3.07Å; A194-F197 PolarHBondContact O-N 2.93Å; E195-F197 PolarHBondContact O-N 3.33Å; F197-Q200 PolarHBondContact O-N 2.72Å; F197-A201 PolarHBondContact O-N 2.93Å |
| 198 | Y | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 174.8 | -58.3 | -50.8 | 0 | 0 | 0 | 112.2 | V173 G176 D177 R180 A194 E195 A201 L202 Q214 L215 L218 | V173-Y198 HydrophobicContact CG1-CE1 4.38Å; G176-Y198 PolarHBondContact O-OH 3.11Å; G176-Y198 VanDerWaalsContact O-OH 3.12Å; D177-Y198 WeakPolarHBondContact CA-OH 3.32Å; D177-Y198 PolarHBondContact N-OH 3.42Å; D177-Y198 VanDerWaalsContact N-OH 3.13Å; D177-Y198 PolarHBondContact OD1-OH 3.14Å; R180-Y198 PolarHBondContact NH1-OH 2.94Å; A194-Y198 HydrophobicContact CB-CE2 4.04Å; A194-Y198 WeakPolarHBondContact O-CD2 3.33Å; A194-Y198 PolarHBondContact O-N 3.37Å; E195-Y198 PolarHBondContact O-N 3.24Å; Y198-A201 WeakPolarHBondContact O-CB 3.24Å; Y198-A201 PolarHBondContact O-N 2.78Å; Y198-L202 WeakPolarHBondContact O-CG 3.28Å; Y198-L202 PolarHBondContact O-N 3.44Å; Y198-Q214 HydrophobicContact CD1-CB 3.73Å; Y198-Q214 HydrophobicContact CD1-CG 4.34Å; Y198-Q214 HydrophobicContact CD2-CB 4.25Å; Y198-Q214 HydrophobicContact CE1-CB 3.31Å; Y198-Q214 HydrophobicContact CE1-CG 3.8Å; Y198-Q214 HydrophobicContact CE2-CB 3.9Å; Y198-Q214 HydrophobicContact CG-CB 4.18Å; Y198-Q214 VanDerWaalsContact CZ-CB 3.41Å; Y198-L215 HydrophobicContact CD2-CD2 3.91Å; Y198-L215 HydrophobicContact CD2-CG 4.08Å; Y198-L215 HydrophobicContact CG-CD2 4.4Å; Y198-L215 HydrophobicContact CG-CG 4.26Å; Y198-L218 HydrophobicContact CD2-CD2 4.39Å; Y198-L218 HydrophobicContact CE2-CD2 4.24Å |
| 199 | H | 95.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 46 Ų | 46 | 36% | 0.361 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 173.3 | -84.8 | -75.6 | 0 | 0 | 0 | 112.5 | E195 R196 A201 L202 S203 | E195-H199 PolarHBondContact O-CD2 3.25Å; E195-H199 PolarHBondContact O-N 2.8Å; R196-H199 PolarHBondContact O-N 2.8Å; H199-A201 VanDerWaalsContact C-N 3.33Å; H199-A201 PolarHBondContact O-N 2.79Å; H199-L202 PolarHBondContact O-N 2.85Å; H199-S203 PolarHBondContact O-N 3.13Å; H199-S203 PolarHBondContact O-OG 2.88Å |
| 200 | Q | 94.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 170.5 | -72.7 | -177.7 | -10.2 | 0 | 0 | 111.7 | D139 L172 R196 F197 L202 S203 V204 | D139-Q200 PolarHBondContact OD1-NE2 2.79Å; D139-Q200 PolarHBondContact OD2-NE2 3.32Å; L172-Q200 HydrophobicContact CD1-CB 4.09Å; L172-Q200 HydrophobicContact CD2-CB 4.08Å; R196-Q200 WeakPolarHBondContact O-CB 3.48Å; R196-Q200 WeakPolarHBondContact O-CG 3.06Å; R196-Q200 PolarHBondContact O-N 3.2Å; F197-Q200 PolarHBondContact O-N 2.72Å; Q200-L202 VanDerWaalsContact C-N 3.34Å; Q200-L202 PolarHBondContact O-N 3.2Å; Q200-S203 WeakPolarHBondContact O-CB 3.09Å; Q200-S203 PolarHBondContact O-N 3.28Å; Q200-V204 WeakPolarHBondContact O-CG2 3.4Å; Q200-V204 PolarHBondContact O-N 2.92Å; Q200-V204 VanDerWaalsContact O-N 3.12Å |
| 201 | A | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H169 L172 V173 F197 Y198 H199 V204 M205 P211 | H169-A201 PolarHBondContact ND1-O 2.73Å; L172-A201 HydrophobicContact CB-CB 3.76Å; V173-A201 HydrophobicContact CG2-CB 3.87Å; F197-A201 PolarHBondContact O-N 2.93Å; Y198-A201 WeakPolarHBondContact O-CB 3.24Å; Y198-A201 PolarHBondContact O-N 2.78Å; H199-A201 VanDerWaalsContact C-N 3.33Å; H199-A201 PolarHBondContact O-N 2.79Å; A201-V204 PolarHBondContact O-N 3.04Å; A201-M205 PolarHBondContact O-N 3.2Å; A201-P211 HydrophobicContact CB-CB 4.32Å; A201-P211 HydrophobicContact CB-CG 3.87Å |
| 202 | L | 94.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 173.4 | -67.7 | 166.6 | 0 | 0 | 0 | 112.1 | Y198 H199 Q200 V204 M205 P206 P211 F212 L215 | Y198-L202 WeakPolarHBondContact O-CG 3.28Å; Y198-L202 PolarHBondContact O-N 3.44Å; H199-L202 PolarHBondContact O-N 2.85Å; Q200-L202 VanDerWaalsContact C-N 3.34Å; Q200-L202 PolarHBondContact O-N 3.2Å; L202-V204 PolarHBondContact O-N 3.34Å; L202-M205 CarbonylContact O-C 3.52Å; L202-M205 PolarHBondContact O-N 3.2Å; L202-P206 WeakPolarHBondContact O-CA 3.19Å; L202-P206 VanDerWaalsContact O-CB 3.3Å; L202-P206 WeakPolarHBondContact O-CB 3.45Å; L202-P206 WeakPolarHBondContact O-CD 3.38Å; L202-P211 HydrophobicContact CD1-CB 4.3Å; L202-P211 HydrophobicContact CD2-CB 3.92Å; L202-P211 HydrophobicContact CD2-CG 3.85Å; L202-P211 HydrophobicContact CG-CB 3.77Å; L202-P211 HydrophobicContact CG-CG 4.02Å; L202-F212 HydrophobicContact CD1-CD1 3.79Å; L202-F212 HydrophobicContact CD1-CE1 3.35Å; L202-F212 HydrophobicContact CD1-CE2 4.45Å; L202-F212 HydrophobicContact CD1-CZ 3.72Å; L202-F212 HydrophobicContact CD2-CD1 4.39Å; L202-F212 HydrophobicContact CD2-CD2 3.99Å; L202-F212 HydrophobicContact CD2-CE1 4.05Å; L202-F212 HydrophobicContact CD2-CE2 3.59Å; L202-F212 HydrophobicContact CD2-CG 4.36Å; L202-F212 HydrophobicContact CD2-CZ 3.62Å; L202-F212 HydrophobicContact CG-CE1 4.36Å; L202-F212 HydrophobicContact CG-CZ 4.3Å; L202-L215 HydrophobicContact CD1-CD1 4.03Å |
| 203 | S | 91.3 | Very high | 95.3 | Very high | 63 Ų | 63 | 28.7 Ų | 28.7 | 44% | 0.441 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.8 | -28.3 | 174.6 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | C137 H199 Q200 | C137-S203 PolarHBondContact SG-O 2.93Å; H199-S203 PolarHBondContact O-N 3.13Å; H199-S203 PolarHBondContact O-OG 2.88Å; Q200-S203 WeakPolarHBondContact O-CB 3.09Å; Q200-S203 PolarHBondContact O-N 3.28Å |
| 204 | V | 91.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.03 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -84.8 | -38.2 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | L134 C137 I138 Q165 H169 L172 Q200 A201 L202 | L134-V204 HydrophobicContact CD2-CG1 4.11Å; L134-V204 HydrophobicContact CD2-CG2 4.32Å; C137-V204 HydrophobicContact CB-CG2 3.81Å; I138-V204 HydrophobicContact CD1-CG2 4.13Å; I138-V204 HydrophobicContact CG1-CG2 4.22Å; Q165-V204 HydrophobicContact CG-CG1 3.93Å; Q165-V204 PolarHBondContact NE2-O 2.9Å; Q165-V204 VanDerWaalsContact NE2-O 3.14Å; H169-V204 HydrophobicContact CB-CB 4.48Å; H169-V204 HydrophobicContact CB-CG1 4.19Å; L172-V204 HydrophobicContact CD1-CG2 3.79Å; Q200-V204 WeakPolarHBondContact O-CG2 3.4Å; Q200-V204 PolarHBondContact O-N 2.92Å; Q200-V204 VanDerWaalsContact O-N 3.12Å; A201-V204 PolarHBondContact O-N 3.04Å; L202-V204 PolarHBondContact O-N 3.34Å |
| 205 | M | 92.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | trans | -139.4 | 83.1 | 177.3 | -61.5 | -65.1 | -94.3 | 0 | 0 | 111.3 | Q165 M166 H169 A201 L202 H207 V208 | Q165-M205 HydrophobicContact CG-SD 3.87Å; M166-M205 HydrophobicContact CE-CE 3.45Å; M166-M205 VanDerWaalsContact CE-CE 3.45Å; M166-M205 HydrophobicContact SD-CE 4.17Å; M166-M205 HydrophobicContact SD-CG 4.44Å; H169-M205 HydrophobicContact CB-CB 4.32Å; H169-M205 HydrophobicContact CB-CG 3.75Å; A201-M205 PolarHBondContact O-N 3.2Å; L202-M205 CarbonylContact O-C 3.52Å; L202-M205 PolarHBondContact O-N 3.2Å; M205-H207 VanDerWaalsContact CE-CE1 3.47Å; M205-H207 WeakPolarHBondContact CE-CE1 3.46Å; M205-H207 PolarHBondContact O-N 3.35Å; M205-H207 VanDerWaalsContact O-N 3.16Å; M205-V208 HydrophobicContact CB-CB 4.47Å; M205-V208 HydrophobicContact CB-CG2 3.94Å; M205-V208 PolarHBondContact O-N 3.06Å | ||
| 206 | P | 90.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.1 | -169.8 | 29.2 | -36.6 | 0 | 0 | 0 | 115.1 | L202 | L202-P206 WeakPolarHBondContact O-CA 3.19Å; L202-P206 VanDerWaalsContact O-CB 3.3Å; L202-P206 WeakPolarHBondContact O-CB 3.45Å; L202-P206 WeakPolarHBondContact O-CD 3.38Å |
| 207 | H | 92.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 18.3 Ų | 18.3 | 26% | 0.259 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -7.8 | 178 | 60.6 | -98.6 | 0 | 0 | 0 | 113.2 | M205 D239 T240 | M205-H207 VanDerWaalsContact CE-CE1 3.47Å; M205-H207 WeakPolarHBondContact CE-CE1 3.46Å; M205-H207 PolarHBondContact O-N 3.35Å; M205-H207 VanDerWaalsContact O-N 3.16Å; H207-D239 HydrophobicContact CB-CB 4.11Å; H207-D239 WeakPolarHBondContact CB-OD2 3.41Å; H207-D239 PolarHBondContact O-N 3.44Å; H207-T240 PolarHBondContact O-N 3.3Å |
| 208 | V | 95.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 19 Ų | 19 | 9% | 0.085 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -94.4 | 121.8 | -178.7 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | M166 M205 M210 P211 | M166-V208 HydrophobicContact CE-CG2 4.09Å; M205-V208 HydrophobicContact CB-CB 4.47Å; M205-V208 HydrophobicContact CB-CG2 3.94Å; M205-V208 PolarHBondContact O-N 3.06Å; V208-M210 HydrophobicContact CG1-CB 4.1Å; V208-M210 PolarHBondContact O-N 3.22Å; V208-P211 VanDerWaalsContact O-CD 3.31Å; V208-P211 WeakPolarHBondContact O-CD 3.37Å |
| 209 | G | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -76.5 | -17.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F212 N213 C235 S238 T240 | G209-F212 WeakPolarHBondContact O-CA 3.46Å; G209-F212 WeakPolarHBondContact O-CB 3.46Å; G209-F212 PolarHBondContact O-N 3.09Å; G209-N213 PolarHBondContact O-N 3.5Å; G209-C235 PolarHBondContact O-SG 3.49Å; G209-S238 VanDerWaalsContact CA-OG 3.31Å; G209-S238 WeakPolarHBondContact CA-OG 3.33Å; G209-T240 PolarHBondContact N-O 3.43Å | ||
| 210 | M | 96.5 | Very high | 95.2 | Very high | 44 Ų | 44 | 17.3 Ų | 17.3 | 22% | 0.217 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -50.7 | -46.3 | -174.1 | 179.2 | 178.5 | -79.1 | 0 | 0 | 114.6 | V173 V208 F212 N213 Q214 | V173-M210 HydrophobicContact CG1-CG 4.37Å; V173-M210 HydrophobicContact CG1-SD 4.25Å; V208-M210 HydrophobicContact CG1-CB 4.1Å; V208-M210 PolarHBondContact O-N 3.22Å; M210-F212 PolarHBondContact O-N 2.89Å; M210-N213 WeakPolarHBondContact O-CB 3.2Å; M210-N213 PolarHBondContact O-N 2.97Å; M210-Q214 PolarHBondContact O-N 3.14Å |
| 211 | P | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -28.2 | 178.4 | -18 | 31.1 | 0 | 0 | 0 | 113.1 | V173 A201 L202 V208 Q214 L215 | V173-P211 HydrophobicContact CG2-CG 4.05Å; A201-P211 HydrophobicContact CB-CB 4.32Å; A201-P211 HydrophobicContact CB-CG 3.87Å; L202-P211 HydrophobicContact CD1-CB 4.3Å; L202-P211 HydrophobicContact CD2-CB 3.92Å; L202-P211 HydrophobicContact CD2-CG 3.85Å; L202-P211 HydrophobicContact CG-CB 3.77Å; L202-P211 HydrophobicContact CG-CG 4.02Å; V208-P211 VanDerWaalsContact O-CD 3.31Å; V208-P211 WeakPolarHBondContact O-CD 3.37Å; P211-Q214 PolarHBondContact O-N 3.48Å; P211-L215 WeakPolarHBondContact O-CB 3.36Å; P211-L215 WeakPolarHBondContact O-CG 3.35Å; P211-L215 PolarHBondContact O-N 3.33Å |
| 212 | F | 98.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.7 | -33.9 | 172.8 | -62.5 | -58.8 | 0 | 0 | 0 | 111.9 | L202 G209 M210 Q214 L215 G216 Y231 R234 C235 | L202-F212 HydrophobicContact CD1-CD1 3.79Å; L202-F212 HydrophobicContact CD1-CE1 3.35Å; L202-F212 HydrophobicContact CD1-CE2 4.45Å; L202-F212 HydrophobicContact CD1-CZ 3.72Å; L202-F212 HydrophobicContact CD2-CD1 4.39Å; L202-F212 HydrophobicContact CD2-CD2 3.99Å; L202-F212 HydrophobicContact CD2-CE1 4.05Å; L202-F212 HydrophobicContact CD2-CE2 3.59Å; L202-F212 HydrophobicContact CD2-CG 4.36Å; L202-F212 HydrophobicContact CD2-CZ 3.62Å; L202-F212 HydrophobicContact CG-CE1 4.36Å; L202-F212 HydrophobicContact CG-CZ 4.3Å; G209-F212 WeakPolarHBondContact O-CA 3.46Å; G209-F212 WeakPolarHBondContact O-CB 3.46Å; G209-F212 PolarHBondContact O-N 3.09Å; M210-F212 PolarHBondContact O-N 2.89Å; F212-Q214 VanDerWaalsContact C-N 3.29Å; F212-Q214 PolarHBondContact O-N 3.08Å; F212-L215 HydrophobicContact CD1-CD1 4.23Å; F212-L215 PolarHBondContact O-N 3.18Å; F212-G216 PolarHBondContact O-N 3.49Å; F212-Y231 WeakPolarHBondContact CB-O 3.49Å; F212-Y231 HydrophobicContact CD1-CD1 4.05Å; F212-Y231 WeakPolarHBondContact O-CB 3.43Å; F212-R234 HydrophobicContact CB-CB 4.08Å; F212-R234 HydrophobicContact CD1-CB 3.86Å; F212-R234 HydrophobicContact CD1-CG 4.49Å; F212-R234 HydrophobicContact CD2-CB 3.82Å; F212-R234 HydrophobicContact CE1-CB 4.19Å; F212-R234 HydrophobicContact CE2-CB 4.17Å; F212-R234 HydrophobicContact CG-CB 3.67Å; F212-R234 HydrophobicContact CZ-CB 4.35Å; F212-C235 HydrophobicContact CB-CB 3.91Å |
| 213 | N | 97.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 170.6 | -174.1 | 83.6 | 0 | 0 | 0 | 111.5 | G209 M210 G216 T217 Y232 F242 N248 | G209-N213 PolarHBondContact O-N 3.5Å; M210-N213 WeakPolarHBondContact O-CB 3.2Å; M210-N213 PolarHBondContact O-N 2.97Å; N213-G216 PolarHBondContact O-N 3.13Å; N213-T217 PolarHBondContact O-N 2.97Å; N213-T217 PolarHBondContact O-OG1 3.37Å; N213-Y232 WeakPolarHBondContact OD1-CE1 3.49Å; N213-F242 HydrophobicContact CB-CD1 3.98Å; N213-N248 PolarHBondContact OD1-ND2 3.08Å |
| 214 | Q | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -74 | -35.3 | 179.8 | -55.1 | -48.1 | 78.7 | 0 | 0 | 112.7 | V173 D177 Y198 M210 P211 F212 T217 L218 E590 | V173-Q214 HydrophobicContact CG1-CG 4.16Å; D177-Q214 PolarHBondContact OD1-NE2 3.37Å; Y198-Q214 HydrophobicContact CD1-CB 3.73Å; Y198-Q214 HydrophobicContact CD1-CG 4.34Å; Y198-Q214 HydrophobicContact CD2-CB 4.25Å; Y198-Q214 HydrophobicContact CE1-CB 3.31Å; Y198-Q214 HydrophobicContact CE1-CG 3.8Å; Y198-Q214 HydrophobicContact CE2-CB 3.9Å; Y198-Q214 HydrophobicContact CG-CB 4.18Å; Y198-Q214 VanDerWaalsContact CZ-CB 3.41Å; M210-Q214 PolarHBondContact O-N 3.14Å; P211-Q214 PolarHBondContact O-N 3.48Å; F212-Q214 VanDerWaalsContact C-N 3.29Å; F212-Q214 PolarHBondContact O-N 3.08Å; Q214-T217 WeakPolarHBondContact O-CB 3.39Å; Q214-T217 PolarHBondContact O-N 2.79Å; Q214-L218 WeakPolarHBondContact O-CB 3.26Å; Q214-L218 PolarHBondContact O-N 3.26Å; Q214-E590 VanDerWaalsContact NE2-CD 3.27Å; Q214-E590 PolarHBondContact NE2-OE1 3.08Å; Q214-E590 PolarHBondContact NE2-OE2 3.16Å; Q214-E590 PolarHBondContact OE1-OE1 3.04Å |
| 215 | L | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 169 | -72.9 | 164.5 | 0 | 0 | 0 | 111.9 | E195 Y198 L202 P211 F212 T217 L218 A219 Y231 | E195-L215 HydrophobicContact CB-CD2 4.37Å; E195-L215 HydrophobicContact CG-CD2 3.93Å; Y198-L215 HydrophobicContact CD2-CD2 3.91Å; Y198-L215 HydrophobicContact CD2-CG 4.08Å; Y198-L215 HydrophobicContact CG-CD2 4.4Å; Y198-L215 HydrophobicContact CG-CG 4.26Å; L202-L215 HydrophobicContact CD1-CD1 4.03Å; P211-L215 WeakPolarHBondContact O-CB 3.36Å; P211-L215 WeakPolarHBondContact O-CG 3.35Å; P211-L215 PolarHBondContact O-N 3.33Å; F212-L215 HydrophobicContact CD1-CD1 4.23Å; F212-L215 PolarHBondContact O-N 3.18Å; L215-T217 VanDerWaalsContact C-N 3.3Å; L215-T217 PolarHBondContact O-N 2.75Å; L215-L218 PolarHBondContact O-N 3.36Å; L215-A219 WeakPolarHBondContact O-CB 3.33Å; L215-A219 PolarHBondContact O-N 3.45Å; L215-Y231 HydrophobicContact CB-CD1 3.68Å; L215-Y231 HydrophobicContact CB-CD2 4.05Å; L215-Y231 HydrophobicContact CB-CE1 3.8Å; L215-Y231 HydrophobicContact CB-CE2 4.19Å; L215-Y231 HydrophobicContact CB-CG 3.81Å; L215-Y231 HydrophobicContact CD1-CD1 4.15Å; L215-Y231 HydrophobicContact CD1-CE1 3.79Å; L215-Y231 HydrophobicContact CG-CE1 4.29Å |
| 216 | G | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F212 N213 G220 A228 Y232 | F212-G216 PolarHBondContact O-N 3.49Å; N213-G216 PolarHBondContact O-N 3.13Å; G216-G220 PolarHBondContact O-N 2.96Å; G216-A228 VanDerWaalsContact O-CB 3.31Å; G216-A228 WeakPolarHBondContact O-CB 3.46Å; G216-Y232 VanDerWaalsContact C-OH 3.3Å; G216-Y232 PolarHBondContact O-OH 3.41Å |
| 217 | T | 96.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 20.8 Ų | 20.8 | 19% | 0.19 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.3 | -40.5 | 172.6 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | N213 Q214 L215 G220 Y232 | N213-T217 PolarHBondContact O-N 2.97Å; N213-T217 PolarHBondContact O-OG1 3.37Å; Q214-T217 WeakPolarHBondContact O-CB 3.39Å; Q214-T217 PolarHBondContact O-N 2.79Å; L215-T217 VanDerWaalsContact C-N 3.3Å; L215-T217 PolarHBondContact O-N 2.75Å; T217-G220 PolarHBondContact O-N 3.31Å; T217-Y232 PolarHBondContact N-OH 3.18Å; T217-Y232 PolarHBondContact OG1-OH 2.93Å |
| 218 | L | 95.8 | Very high | 95.8 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 12% | 0.12 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 179 | -172.8 | 68 | 0 | 0 | 0 | 111.9 | R180 E191 A194 E195 Y198 Q214 L215 G220 | R180-L218 HydrophobicContact CB-CD1 4.31Å; R180-L218 HydrophobicContact CG-CD1 3.84Å; E191-L218 HydrophobicContact CG-CD1 4.12Å; E191-L218 HydrophobicContact CG-CD2 4.28Å; E191-L218 HydrophobicContact CG-CG 4.18Å; A194-L218 HydrophobicContact CB-CD1 4.14Å; A194-L218 HydrophobicContact CB-CD2 4.08Å; E195-L218 HydrophobicContact CB-CD2 3.85Å; Y198-L218 HydrophobicContact CD2-CD2 4.39Å; Y198-L218 HydrophobicContact CE2-CD2 4.24Å; Q214-L218 WeakPolarHBondContact O-CB 3.26Å; Q214-L218 PolarHBondContact O-N 3.26Å; L215-L218 PolarHBondContact O-N 3.36Å; L218-G220 PolarHBondContact O-N 3.23Å |
| 219 | A | 94.4 | Very high | 96 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 7% | 0.066 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -29 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L215 S221 K222 E227 A228 Y231 | L215-A219 WeakPolarHBondContact O-CB 3.33Å; L215-A219 PolarHBondContact O-N 3.45Å; A219-S221 PolarHBondContact O-N 3Å; A219-K222 VanDerWaalsContact O-CB 3.25Å; A219-K222 WeakPolarHBondContact O-CB 3.46Å; A219-K222 VanDerWaalsContact O-CG 3.26Å; A219-K222 WeakPolarHBondContact O-CG 3.4Å; A219-K222 PolarHBondContact O-N 2.93Å; A219-K222 VanDerWaalsContact O-N 3.09Å; A219-E227 HydrophobicContact CB-CB 4.16Å; A219-E227 HydrophobicContact CB-CG 3.72Å; A219-A228 HydrophobicContact CB-CB 4.35Å; A219-Y231 HydrophobicContact CB-CD2 4.38Å |
| 220 | G | 91.4 | Very high | 96.1 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 34% | 0.34 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -126.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G216 T217 L218 A228 | G216-G220 PolarHBondContact O-N 2.96Å; T217-G220 PolarHBondContact O-N 3.31Å; L218-G220 PolarHBondContact O-N 3.23Å; G220-A228 WeakPolarHBondContact O-CB 2.99Å |
| 221 | S | 91.6 | Very high | 96.2 | Very high | 50 Ų | 50 | 16.5 Ų | 16.5 | 35% | 0.35 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.5 | -179.5 | 54.3 | 0 | 0 | 0 | 0 | 115 | A219 F223 Y224 N225 | A219-S221 PolarHBondContact O-N 3Å; S221-F223 PolarHBondContact O-N 3.18Å; S221-Y224 PolarHBondContact O-N 3.03Å; S221-Y224 VanDerWaalsContact O-N 3.11Å; S221-N225 WeakPolarHBondContact CA-OD1 3.39Å; S221-N225 PolarHBondContact O-N 3.17Å; S221-N225 VanDerWaalsContact O-N 3.17Å |
| 222 | K | 90.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 16.8 Ų | 16.8 | 30% | 0.3 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -50.1 | 136.1 | -179.1 | -74.4 | 173.4 | 173.9 | 172.7 | 0 | 111.6 | E191 A219 Y224 N225 | E191-K222 IonicContact OE1-NZ 3.05Å; E191-K222 PolarHBondContact OE1-NZ 3.12Å; E191-K222 IonicContact OE2-NZ 2.7Å; E191-K222 PolarHBondContact OE2-NZ 3.06Å; A219-K222 VanDerWaalsContact O-CB 3.25Å; A219-K222 WeakPolarHBondContact O-CB 3.46Å; A219-K222 VanDerWaalsContact O-CG 3.26Å; A219-K222 WeakPolarHBondContact O-CG 3.4Å; A219-K222 PolarHBondContact O-N 2.93Å; A219-K222 VanDerWaalsContact O-N 3.09Å; K222-Y224 VanDerWaalsContact C-N 3.26Å; K222-Y224 PolarHBondContact O-N 3.21Å; K222-N225 WeakPolarHBondContact O-CA 3.24Å; K222-N225 PolarHBondContact O-N 2.83Å |
| 223 | F | 93.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 16.6 Ų | 16.6 | 12% | 0.118 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | 50.1 | 43.4 | -177.2 | -53 | -74.4 | 0 | 0 | 0 | 113.7 | S221 N225 V226 L285 Y351 P355 L358 | S221-F223 PolarHBondContact O-N 3.18Å; F223-N225 VanDerWaalsContact C-N 3.29Å; F223-N225 PolarHBondContact O-N 3.33Å; F223-V226 HydrophobicContact CB-CB 4.5Å; F223-V226 WeakPolarHBondContact O-CB 3.44Å; F223-V226 VanDerWaalsContact O-CG2 3.29Å; F223-V226 WeakPolarHBondContact O-CG2 3.5Å; F223-V226 PolarHBondContact O-N 2.88Å; F223-L285 HydrophobicContact CB-CD1 4.2Å; F223-Y351 AromaticContact CD1-CD2 3.78Å; F223-Y351 HydrophobicContact CD1-CD2 3.78Å; F223-Y351 AromaticContact CD1-CE2 3.83Å; F223-Y351 HydrophobicContact CD1-CE2 3.83Å; F223-Y351 HydrophobicContact CD1-CG 4.45Å; F223-Y351 AromaticContact CE1-CD1 3.96Å; F223-Y351 HydrophobicContact CE1-CD1 3.96Å; F223-Y351 AromaticContact CE1-CD2 3.3Å; F223-Y351 HydrophobicContact CE1-CD2 3.3Å; F223-Y351 AromaticContact CE1-CE1 3.97Å; F223-Y351 HydrophobicContact CE1-CE1 3.97Å; F223-Y351 AromaticContact CE1-CE2 3.31Å; F223-Y351 HydrophobicContact CE1-CE2 3.31Å; F223-Y351 AromaticContact CE1-CG 3.64Å; F223-Y351 HydrophobicContact CE1-CG 3.64Å; F223-Y351 AromaticContact CE1-CZ 3.67Å; F223-Y351 HydrophobicContact CE2-CE2 4.46Å; F223-Y351 HydrophobicContact CZ-CD1 4.25Å; F223-Y351 HydrophobicContact CZ-CD2 4.09Å; F223-Y351 AromaticContact CZ-CE1 3.86Å; F223-Y351 HydrophobicContact CZ-CE1 3.86Å; F223-Y351 AromaticContact CZ-CE2 3.67Å; F223-Y351 HydrophobicContact CZ-CE2 3.67Å; F223-Y351 HydrophobicContact CZ-CG 4.37Å; F223-Y351 AromaticContact CZ-CZ 3.55Å; F223-P355 HydrophobicContact CE1-CG 3.99Å; F223-P355 HydrophobicContact CZ-CG 3.92Å; F223-L358 HydrophobicContact CB-CD1 3.76Å; F223-L358 HydrophobicContact CB-CD2 3.78Å; F223-L358 HydrophobicContact CB-CG 4.44Å; F223-L358 HydrophobicContact CD1-CD2 3.46Å; F223-L358 VanDerWaalsContact CD1-CD2 3.46Å; F223-L358 HydrophobicContact CD2-CD1 3.89Å; F223-L358 HydrophobicContact CD2-CD2 4.23Å; F223-L358 HydrophobicContact CE1-CD2 4.05Å; F223-L358 HydrophobicContact CG-CD1 3.82Å; F223-L358 HydrophobicContact CG-CD2 3.55Å; F223-L358 HydrophobicContact CG-CG 4.28Å |
| 224 | Y | 94.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 16.9 Ų | 16.9 | 13% | 0.129 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | 56.4 | 42.3 | -176.6 | -55.5 | -67.7 | 0 | 0 | 0 | 113.2 | S221 K222 V226 M259 K282 L285 V286 D348 | S221-Y224 PolarHBondContact O-N 3.03Å; S221-Y224 VanDerWaalsContact O-N 3.11Å; K222-Y224 VanDerWaalsContact C-N 3.26Å; K222-Y224 PolarHBondContact O-N 3.21Å; Y224-V226 PolarHBondContact O-N 2.89Å; Y224-M259 HydrophobicContact CD1-CE 3.79Å; Y224-M259 HydrophobicContact CE1-CE 4.32Å; Y224-K282 HydrophobicContact CD2-CG 4.41Å; Y224-K282 HydrophobicContact CE1-CD 4.03Å; Y224-K282 VanDerWaalsContact CE1-CE 3.41Å; Y224-K282 HydrophobicContact CE1-CG 4.01Å; Y224-K282 HydrophobicContact CE2-CB 3.83Å; Y224-K282 HydrophobicContact CE2-CD 4.38Å; Y224-K282 HydrophobicContact CE2-CG 3.75Å; Y224-K282 VanDerWaalsContact OH-CD 3.28Å; Y224-K282 WeakPolarHBondContact OH-CD 3.34Å; Y224-K282 WeakPolarHBondContact OH-CE 3.25Å; Y224-K282 PolarHBondContact OH-NZ 3.46Å; Y224-L285 HydrophobicContact CD2-CB 3.83Å; Y224-L285 HydrophobicContact CD2-CD1 3.84Å; Y224-L285 HydrophobicContact CD2-CG 4.5Å; Y224-L285 HydrophobicContact CE2-CD1 4.33Å; Y224-V286 HydrophobicContact CD1-CG2 4.31Å; Y224-V286 HydrophobicContact CD2-CG2 4.47Å; Y224-V286 HydrophobicContact CG-CG2 3.99Å; Y224-D348 WeakPolarHBondContact CE1-OD1 3.47Å; Y224-D348 WeakPolarHBondContact CE1-OD2 3.31Å; Y224-D348 PolarHBondContact OH-OD2 2.88Å; Y224-D348 VanDerWaalsContact OH-OD2 3.05Å |
| 225 | N | 96.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.043 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | 64.7 | 10.6 | -179.5 | -20.6 | -100.6 | 0 | 0 | 0 | 115.3 | S221 K222 F223 E227 A228 T229 L252 M289 | S221-N225 WeakPolarHBondContact CA-OD1 3.39Å; S221-N225 PolarHBondContact O-N 3.17Å; S221-N225 VanDerWaalsContact O-N 3.17Å; K222-N225 WeakPolarHBondContact O-CA 3.24Å; K222-N225 PolarHBondContact O-N 2.83Å; F223-N225 VanDerWaalsContact C-N 3.29Å; F223-N225 PolarHBondContact O-N 3.33Å; N225-E227 VanDerWaalsContact C-N 3.28Å; N225-E227 PolarHBondContact O-N 3.48Å; N225-A228 HydrophobicContact CB-CB 4.46Å; N225-A228 PolarHBondContact O-N 3.46Å; N225-T229 PolarHBondContact O-N 3.2Å; N225-L252 HydrophobicContact CB-CD1 3.86Å; N225-L252 HydrophobicContact CB-CD2 3.76Å; N225-L252 HydrophobicContact CB-CG 4.28Å; N225-M289 HydrophobicContact CB-CE 3.95Å |
| 226 | V | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 177.3 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | F223 Y224 T229 Y230 L285 F288 M289 L358 M362 | F223-V226 HydrophobicContact CB-CB 4.5Å; F223-V226 WeakPolarHBondContact O-CB 3.44Å; F223-V226 VanDerWaalsContact O-CG2 3.29Å; F223-V226 WeakPolarHBondContact O-CG2 3.5Å; F223-V226 PolarHBondContact O-N 2.88Å; Y224-V226 PolarHBondContact O-N 2.89Å; V226-T229 PolarHBondContact O-N 3.1Å; V226-Y230 PolarHBondContact O-N 2.92Å; V226-L285 HydrophobicContact CG2-CB 4.36Å; V226-L285 HydrophobicContact CG2-CD2 3.99Å; V226-F288 HydrophobicContact CG1-CE1 4.37Å; V226-F288 HydrophobicContact CG2-CD1 4.24Å; V226-M289 HydrophobicContact CB-SD 4.32Å; V226-M289 HydrophobicContact CG2-CG 3.44Å; V226-M289 VanDerWaalsContact CG2-CG 3.44Å; V226-M289 HydrophobicContact CG2-SD 3.77Å; V226-L358 HydrophobicContact CB-CD1 4.18Å; V226-L358 HydrophobicContact CG1-CD1 3.74Å; V226-M362 HydrophobicContact CG1-CG 3.64Å |
| 227 | E | 96.7 | Very high | 96 | Very high | 26 Ų | 26 | 18.8 Ų | 18.8 | 12% | 0.121 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 179.4 | -176.2 | 162.7 | -136.9 | 0 | 0 | 112.2 | A219 N225 Y230 Y231 K361 | A219-E227 HydrophobicContact CB-CB 4.16Å; A219-E227 HydrophobicContact CB-CG 3.72Å; N225-E227 VanDerWaalsContact C-N 3.28Å; N225-E227 PolarHBondContact O-N 3.48Å; E227-Y230 WeakPolarHBondContact O-CB 3.28Å; E227-Y230 PolarHBondContact O-N 2.98Å; E227-Y231 HydrophobicContact CG-CD2 4.02Å; E227-Y231 HydrophobicContact CG-CE2 3.67Å; E227-Y231 WeakPolarHBondContact O-CD2 3.44Å; E227-Y231 PolarHBondContact O-N 2.96Å; E227-Y231 VanDerWaalsContact O-N 3.13Å; E227-K361 HydrophobicContact CG-CD 4.12Å; E227-K361 IonicContact OE1-NZ 2.81Å; E227-K361 PolarHBondContact OE1-NZ 3.14Å |
| 228 | A | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G216 A219 G220 N225 Y230 Y231 Y232 L252 | G216-A228 VanDerWaalsContact O-CB 3.31Å; G216-A228 WeakPolarHBondContact O-CB 3.46Å; A219-A228 HydrophobicContact CB-CB 4.35Å; G220-A228 WeakPolarHBondContact O-CB 2.99Å; N225-A228 HydrophobicContact CB-CB 4.46Å; N225-A228 PolarHBondContact O-N 3.46Å; A228-Y230 PolarHBondContact O-N 3.33Å; A228-Y231 PolarHBondContact O-N 3.49Å; A228-Y232 HydrophobicContact CB-CD2 4.41Å; A228-Y232 HydrophobicContact CB-CE2 3.99Å; A228-Y232 WeakPolarHBondContact O-CD2 3.48Å; A228-Y232 PolarHBondContact O-N 3.34Å; A228-L252 HydrophobicContact CB-CD1 3.77Å |
| 229 | T | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 174.1 | -85.1 | 0 | 0 | 0 | 0 | 112.5 | N225 V226 Y231 Y232 L233 L249 L252 F253 M289 T365 | N225-T229 PolarHBondContact O-N 3.2Å; V226-T229 PolarHBondContact O-N 3.1Å; T229-Y231 VanDerWaalsContact C-N 3.34Å; T229-Y231 PolarHBondContact O-N 3.28Å; T229-Y232 PolarHBondContact O-N 2.87Å; T229-L233 HydrophobicContact CG2-CD1 3.92Å; T229-L233 WeakPolarHBondContact O-CB 3.44Å; T229-L233 WeakPolarHBondContact O-CG 3.13Å; T229-L233 PolarHBondContact O-N 3.02Å; T229-L249 HydrophobicContact CG2-CD1 3.89Å; T229-L249 WeakPolarHBondContact OG1-CD1 3.48Å; T229-L252 WeakPolarHBondContact OG1-CD1 3.22Å; T229-F253 HydrophobicContact CG2-CE1 4.13Å; T229-F253 HydrophobicContact CG2-CZ 4.43Å; T229-M289 HydrophobicContact CG2-SD 4.1Å; T229-M289 VanDerWaalsContact OG1-CE 3.26Å; T229-M289 WeakPolarHBondContact OG1-CE 3.35Å; T229-T365 HydrophobicContact CG2-CG2 4.48Å |
| 230 | Y | 98.4 | Very high | 96 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.3 | -48.9 | 173.5 | 162.3 | -97.2 | 0 | 0 | 0 | 111.1 | V226 E227 A228 L233 R234 K361 V364 M368 | V226-Y230 PolarHBondContact O-N 2.92Å; E227-Y230 WeakPolarHBondContact O-CB 3.28Å; E227-Y230 PolarHBondContact O-N 2.98Å; A228-Y230 PolarHBondContact O-N 3.33Å; Y230-L233 PolarHBondContact O-N 2.86Å; Y230-R234 HydrophobicContact CD2-CG 4.43Å; Y230-R234 HydrophobicContact CE1-CG 4.13Å; Y230-R234 HydrophobicContact CE2-CG 3.94Å; Y230-R234 WeakPolarHBondContact O-CG 3.29Å; Y230-R234 PolarHBondContact O-N 3.49Å; Y230-R234 PolarHBondContact OH-NH1 2.86Å; Y230-K361 HydrophobicContact CD1-CB 4.15Å; Y230-K361 HydrophobicContact CD1-CD 3.84Å; Y230-K361 HydrophobicContact CD1-CG 3.75Å; Y230-K361 HydrophobicContact CD2-CB 3.98Å; Y230-K361 HydrophobicContact CD2-CG 4.21Å; Y230-K361 WeakPolarHBondContact CD2-O 3.45Å; Y230-K361 HydrophobicContact CE1-CD 4.13Å; Y230-K361 HydrophobicContact CE1-CG 3.88Å; Y230-K361 HydrophobicContact CE2-CB 4.49Å; Y230-K361 HydrophobicContact CE2-CG 4.34Å; Y230-K361 HydrophobicContact CG-CB 3.79Å; Y230-K361 HydrophobicContact CG-CD 4.36Å; Y230-K361 HydrophobicContact CG-CG 3.92Å; Y230-V364 HydrophobicContact CD2-CB 4.47Å; Y230-V364 HydrophobicContact CE2-CB 3.98Å; Y230-V364 HydrophobicContact CE2-CG1 3.8Å; Y230-M368 HydrophobicContact CD2-CE 3.76Å; Y230-M368 HydrophobicContact CE2-CE 4.18Å |
| 231 | Y | 98.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.4 | -40.4 | -179.2 | -74.8 | -60 | 0 | 0 | 0 | 113.2 | F212 L215 A219 E227 A228 T229 L233 R234 C235 K361 | F212-Y231 WeakPolarHBondContact CB-O 3.49Å; F212-Y231 HydrophobicContact CD1-CD1 4.05Å; F212-Y231 WeakPolarHBondContact O-CB 3.43Å; L215-Y231 HydrophobicContact CB-CD1 3.68Å; L215-Y231 HydrophobicContact CB-CD2 4.05Å; L215-Y231 HydrophobicContact CB-CE1 3.8Å; L215-Y231 HydrophobicContact CB-CE2 4.19Å; L215-Y231 HydrophobicContact CB-CG 3.81Å; L215-Y231 HydrophobicContact CD1-CD1 4.15Å; L215-Y231 HydrophobicContact CD1-CE1 3.79Å; L215-Y231 HydrophobicContact CG-CE1 4.29Å; A219-Y231 HydrophobicContact CB-CD2 4.38Å; E227-Y231 HydrophobicContact CG-CD2 4.02Å; E227-Y231 HydrophobicContact CG-CE2 3.67Å; E227-Y231 WeakPolarHBondContact O-CD2 3.44Å; E227-Y231 PolarHBondContact O-N 2.96Å; E227-Y231 VanDerWaalsContact O-N 3.13Å; A228-Y231 PolarHBondContact O-N 3.49Å; T229-Y231 VanDerWaalsContact C-N 3.34Å; T229-Y231 PolarHBondContact O-N 3.28Å; Y231-L233 VanDerWaalsContact C-N 3.32Å; Y231-L233 PolarHBondContact O-N 3.47Å; Y231-R234 WeakPolarHBondContact O-CB 3.17Å; Y231-R234 PolarHBondContact O-N 3.15Å; Y231-C235 PolarHBondContact O-N 2.9Å; Y231-K361 PolarHBondContact OH-NZ 3.16Å |
| 232 | Y | 98.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.9 | -35.3 | 174.3 | -64.6 | -51.5 | 0 | 0 | 0 | 112.3 | N213 G216 T217 A228 T229 C235 I236 A245 N248 L252 | N213-Y232 WeakPolarHBondContact OD1-CE1 3.49Å; G216-Y232 VanDerWaalsContact C-OH 3.3Å; G216-Y232 PolarHBondContact O-OH 3.41Å; T217-Y232 PolarHBondContact N-OH 3.18Å; T217-Y232 PolarHBondContact OG1-OH 2.93Å; A228-Y232 HydrophobicContact CB-CD2 4.41Å; A228-Y232 HydrophobicContact CB-CE2 3.99Å; A228-Y232 WeakPolarHBondContact O-CD2 3.48Å; A228-Y232 PolarHBondContact O-N 3.34Å; T229-Y232 PolarHBondContact O-N 2.87Å; Y232-C235 WeakPolarHBondContact O-CB 3.47Å; Y232-C235 PolarHBondContact O-N 3.02Å; Y232-I236 WeakPolarHBondContact O-CB 3.36Å; Y232-I236 WeakPolarHBondContact O-CD1 3.34Å; Y232-I236 VanDerWaalsContact O-CG1 3.28Å; Y232-I236 WeakPolarHBondContact O-CG1 3.5Å; Y232-I236 PolarHBondContact O-N 3.26Å; Y232-A245 HydrophobicContact CD1-CB 4.16Å; Y232-N248 HydrophobicContact CD1-CB 4.02Å; Y232-N248 HydrophobicContact CD2-CB 4.18Å; Y232-N248 HydrophobicContact CE1-CB 3.72Å; Y232-N248 HydrophobicContact CE2-CB 3.89Å; Y232-N248 HydrophobicContact CG-CB 4.26Å; Y232-L252 HydrophobicContact CD2-CD1 3.81Å; Y232-L252 HydrophobicContact CE2-CD1 3.82Å; Y232-L252 HydrophobicContact CE2-CG 4.46Å |
| 233 | L | 97.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -39.2 | 172 | -75 | 168.6 | 0 | 0 | 0 | 112.5 | T229 Y230 Y231 C235 I236 Q237 L249 T365 M368 | T229-L233 HydrophobicContact CG2-CD1 3.92Å; T229-L233 WeakPolarHBondContact O-CB 3.44Å; T229-L233 WeakPolarHBondContact O-CG 3.13Å; T229-L233 PolarHBondContact O-N 3.02Å; Y230-L233 PolarHBondContact O-N 2.86Å; Y231-L233 VanDerWaalsContact C-N 3.32Å; Y231-L233 PolarHBondContact O-N 3.47Å; L233-C235 VanDerWaalsContact C-N 3.32Å; L233-C235 PolarHBondContact O-N 2.76Å; L233-I236 PolarHBondContact O-N 2.92Å; L233-Q237 WeakPolarHBondContact O-CB 3.44Å; L233-Q237 WeakPolarHBondContact O-CG 3.26Å; L233-Q237 PolarHBondContact O-N 3.49Å; L233-L249 HydrophobicContact CD2-CD2 3.62Å; L233-L249 HydrophobicContact CG-CD1 4.45Å; L233-L249 HydrophobicContact CG-CD2 3.97Å; L233-T365 HydrophobicContact CD1-CG2 3.76Å; L233-M368 HydrophobicContact CB-CE 3.54Å; L233-M368 HydrophobicContact CB-SD 3.82Å; L233-M368 HydrophobicContact CD1-CE 4.28Å |
| 234 | R | 98 | Very high | 96.4 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 3% | 0.034 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 171.4 | -73.1 | -63.1 | -59.1 | -87.8 | 8.6 | 112 | F212 Y230 Y231 Q237 S238 M368 A830 R832 | F212-R234 HydrophobicContact CB-CB 4.08Å; F212-R234 HydrophobicContact CD1-CB 3.86Å; F212-R234 HydrophobicContact CD1-CG 4.49Å; F212-R234 HydrophobicContact CD2-CB 3.82Å; F212-R234 HydrophobicContact CE1-CB 4.19Å; F212-R234 HydrophobicContact CE2-CB 4.17Å; F212-R234 HydrophobicContact CG-CB 3.67Å; F212-R234 HydrophobicContact CZ-CB 4.35Å; Y230-R234 HydrophobicContact CD2-CG 4.43Å; Y230-R234 HydrophobicContact CE1-CG 4.13Å; Y230-R234 HydrophobicContact CE2-CG 3.94Å; Y230-R234 WeakPolarHBondContact O-CG 3.29Å; Y230-R234 PolarHBondContact O-N 3.49Å; Y230-R234 PolarHBondContact OH-NH1 2.86Å; Y231-R234 WeakPolarHBondContact O-CB 3.17Å; Y231-R234 PolarHBondContact O-N 3.15Å; R234-Q237 PolarHBondContact O-N 3.26Å; R234-S238 PolarHBondContact O-N 3.3Å; R234-S238 VanDerWaalsContact O-N 3.16Å; R234-S238 PolarHBondContact O-OG 2.92Å; R234-M368 HydrophobicContact CG-CE 4.34Å; R234-M368 HydrophobicContact CG-SD 4.13Å; R234-A830 VanDerWaalsContact CZ-O 3.31Å; R234-A830 PolarHBondContact NH1-O 3.38Å; R234-A830 PolarHBondContact NH2-O 3.34Å; R234-R832 PolarHBondContact NH2-O 3.15Å |
| 235 | C | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -53 | 173.9 | -178 | 0 | 0 | 0 | 0 | 111.7 | G209 F212 Y231 Y232 L233 Q237 S238 P241 A245 | G209-C235 PolarHBondContact O-SG 3.49Å; F212-C235 HydrophobicContact CB-CB 3.91Å; Y231-C235 PolarHBondContact O-N 2.9Å; Y232-C235 WeakPolarHBondContact O-CB 3.47Å; Y232-C235 PolarHBondContact O-N 3.02Å; L233-C235 VanDerWaalsContact C-N 3.32Å; L233-C235 PolarHBondContact O-N 2.76Å; C235-Q237 PolarHBondContact O-N 3.46Å; C235-S238 WeakPolarHBondContact O-CB 3.05Å; C235-S238 PolarHBondContact O-N 3.19Å; C235-S238 VanDerWaalsContact O-N 3.14Å; C235-P241 WeakPolarHBondContact O-CA 3.35Å; C235-P241 WeakPolarHBondContact O-CB 3.39Å; C235-A245 HydrophobicContact CB-CB 3.97Å |
| 236 | I | 96.8 | Very high | 96.4 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.4 | -30.5 | -179.1 | -74.4 | 163.3 | 0 | 0 | 0 | 112.8 | Y232 L233 A245 Y246 L249 | Y232-I236 WeakPolarHBondContact O-CB 3.36Å; Y232-I236 WeakPolarHBondContact O-CD1 3.34Å; Y232-I236 VanDerWaalsContact O-CG1 3.28Å; Y232-I236 WeakPolarHBondContact O-CG1 3.5Å; Y232-I236 PolarHBondContact O-N 3.26Å; L233-I236 PolarHBondContact O-N 2.92Å; I236-A245 HydrophobicContact CD1-CB 4.34Å; I236-A245 HydrophobicContact CG1-CB 3.97Å; I236-Y246 HydrophobicContact CB-CE1 4.21Å; I236-Y246 HydrophobicContact CD1-CD1 3.61Å; I236-Y246 HydrophobicContact CD1-CE1 3.97Å; I236-Y246 HydrophobicContact CD1-CG 4.17Å; I236-Y246 HydrophobicContact CG1-CD1 3.83Å; I236-Y246 HydrophobicContact CG1-CE1 3.79Å; I236-Y246 HydrophobicContact CG1-CG 4.22Å; I236-Y246 HydrophobicContact CG2-CD1 4.21Å; I236-Y246 HydrophobicContact CG2-CE1 3.41Å; I236-Y246 VanDerWaalsContact CG2-CE1 3.41Å; I236-L249 HydrophobicContact CD1-CB 4.3Å; I236-L249 HydrophobicContact CD1-CD2 3.66Å |
| 237 | Q | 95.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 10 | 179.4 | -62.5 | -166.8 | 7.5 | 0 | 0 | 114.3 | L233 R234 C235 M368 S372 P835 | L233-Q237 WeakPolarHBondContact O-CB 3.44Å; L233-Q237 WeakPolarHBondContact O-CG 3.26Å; L233-Q237 PolarHBondContact O-N 3.49Å; R234-Q237 PolarHBondContact O-N 3.26Å; C235-Q237 PolarHBondContact O-N 3.46Å; Q237-M368 PolarHBondContact NE2-O 3.26Å; Q237-S372 PolarHBondContact NE2-OG 2.87Å; Q237-P835 HydrophobicContact CB-CG 4.18Å; Q237-P835 WeakPolarHBondContact O-CD 3.5Å; Q237-P835 WeakPolarHBondContact O-CG 3.49Å |
| 238 | S | 95.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -75.4 | 154.7 | 170.3 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | G209 R234 C235 T240 P241 | G209-S238 VanDerWaalsContact CA-OG 3.31Å; G209-S238 WeakPolarHBondContact CA-OG 3.33Å; R234-S238 PolarHBondContact O-N 3.3Å; R234-S238 VanDerWaalsContact O-N 3.16Å; R234-S238 PolarHBondContact O-OG 2.92Å; C235-S238 WeakPolarHBondContact O-CB 3.05Å; C235-S238 PolarHBondContact O-N 3.19Å; C235-S238 VanDerWaalsContact O-N 3.14Å; S238-T240 PolarHBondContact O-N 3.03Å; S238-P241 WeakPolarHBondContact O-CD 3.42Å |
| 239 | D | 94.7 | Very high | 96.2 | Very high | 101 Ų | 101 | 29 Ų | 29 | 54% | 0.54 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -61.3 | -30.2 | 179.3 | -56.8 | -50 | 0 | 0 | 0 | 111.9 | H207 H833 | H207-D239 HydrophobicContact CB-CB 4.11Å; H207-D239 WeakPolarHBondContact CB-OD2 3.41Å; H207-D239 PolarHBondContact O-N 3.44Å; D239-H833 IonicContact OD2-CE1 2.97Å; D239-H833 IonicContact OD2-CG 3.14Å; D239-H833 IonicContact OD2-ND1 3.22Å; D239-H833 PolarHBondContact OD2-ND1 3.37Å |
| 240 | T | 95.4 | Very high | 96 | Very high | 75 Ų | 75 | 35.2 Ų | 35.2 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -118.4 | 91.8 | 166.5 | -53.7 | 0 | 0 | 0 | 0 | 109.5 | H207 G209 S238 | H207-T240 PolarHBondContact O-N 3.3Å; G209-T240 PolarHBondContact N-O 3.43Å; S238-T240 PolarHBondContact O-N 3.03Å |
| 241 | P | 96.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | trans | -75.9 | 169 | 179.9 | 33 | -35.9 | 0 | 0 | 0 | 112 | C235 S238 | C235-P241 WeakPolarHBondContact O-CA 3.35Å; C235-P241 WeakPolarHBondContact O-CB 3.39Å; S238-P241 WeakPolarHBondContact O-CD 3.42Å | ||
| 242 | F | 95.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | trans | -116.7 | 118.4 | 169.5 | 168.1 | -108.4 | 0 | 0 | 0 | 110.4 | N213 G244 A245 E590 | N213-F242 HydrophobicContact CB-CD1 3.98Å; F242-G244 VanDerWaalsContact C-N 3.26Å; F242-G244 VanDerWaalsContact CE1-CA 3.47Å; F242-G244 PolarHBondContact O-N 3.28Å; F242-G244 VanDerWaalsContact O-N 3.14Å; F242-A245 VanDerWaalsContact O-CB 3.24Å; F242-A245 WeakPolarHBondContact O-CB 3.4Å; F242-A245 PolarHBondContact O-N 3.06Å; F242-E590 HydrophobicContact CZ-CG 4.45Å | ||
| 243 | E | 91.5 | Very high | 95.7 | Very high | 115 Ų | 115 | 39.7 Ų | 39.7 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.3 | -171.1 | -71.2 | -57.9 | 126.8 | 0 | 0 | 114.5 | A245 Y246 | E243-A245 PolarHBondContact O-N 2.75Å; E243-A245 VanDerWaalsContact O-N 3.14Å; E243-Y246 WeakPolarHBondContact O-CD2 3.14Å; E243-Y246 PolarHBondContact O-N 3.25Å; E243-Y246 VanDerWaalsContact O-N 3.14Å; E243-Y246 WeakPolarHBondContact OE1-CE2 3.22Å; E243-Y246 VanDerWaalsContact OE2-CD2 3.3Å; E243-Y246 WeakPolarHBondContact OE2-CD2 3.49Å; E243-Y246 VanDerWaalsContact OE2-CE2 3.31Å; E243-Y246 WeakPolarHBondContact OE2-CE2 3.4Å |
| 244 | G | 92.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -24.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F242 Y246 G247 N248 | F242-G244 VanDerWaalsContact C-N 3.26Å; F242-G244 VanDerWaalsContact CE1-CA 3.47Å; F242-G244 PolarHBondContact O-N 3.28Å; F242-G244 VanDerWaalsContact O-N 3.14Å; G244-Y246 VanDerWaalsContact C-N 3.3Å; G244-Y246 PolarHBondContact O-N 3.21Å; G244-G247 PolarHBondContact O-N 3.08Å; G244-G247 VanDerWaalsContact O-N 3.15Å; G244-N248 PolarHBondContact O-N 2.97Å; G244-N248 PolarHBondContact O-ND2 2.78Å |
| 245 | A | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -31 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y232 C235 I236 F242 E243 N248 L249 | Y232-A245 HydrophobicContact CD1-CB 4.16Å; C235-A245 HydrophobicContact CB-CB 3.97Å; I236-A245 HydrophobicContact CD1-CB 4.34Å; I236-A245 HydrophobicContact CG1-CB 3.97Å; F242-A245 VanDerWaalsContact O-CB 3.24Å; F242-A245 WeakPolarHBondContact O-CB 3.4Å; F242-A245 PolarHBondContact O-N 3.06Å; E243-A245 PolarHBondContact O-N 2.75Å; E243-A245 VanDerWaalsContact O-N 3.14Å; A245-N248 PolarHBondContact O-N 3.11Å; A245-L249 VanDerWaalsContact O-CB 3.28Å; A245-L249 WeakPolarHBondContact O-CB 3.38Å; A245-L249 PolarHBondContact O-N 3.45Å |
| 246 | Y | 95.2 | Very high | 95.2 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 42% | 0.42 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 173.1 | -67.2 | -71.1 | 0 | 0 | 0 | 111.7 | I236 E243 G244 K250 | I236-Y246 HydrophobicContact CB-CE1 4.21Å; I236-Y246 HydrophobicContact CD1-CD1 3.61Å; I236-Y246 HydrophobicContact CD1-CE1 3.97Å; I236-Y246 HydrophobicContact CD1-CG 4.17Å; I236-Y246 HydrophobicContact CG1-CD1 3.83Å; I236-Y246 HydrophobicContact CG1-CE1 3.79Å; I236-Y246 HydrophobicContact CG1-CG 4.22Å; I236-Y246 HydrophobicContact CG2-CD1 4.21Å; I236-Y246 HydrophobicContact CG2-CE1 3.41Å; I236-Y246 VanDerWaalsContact CG2-CE1 3.41Å; E243-Y246 WeakPolarHBondContact O-CD2 3.14Å; E243-Y246 PolarHBondContact O-N 3.25Å; E243-Y246 VanDerWaalsContact O-N 3.14Å; E243-Y246 WeakPolarHBondContact OE1-CE2 3.22Å; E243-Y246 VanDerWaalsContact OE2-CD2 3.3Å; E243-Y246 WeakPolarHBondContact OE2-CD2 3.49Å; E243-Y246 VanDerWaalsContact OE2-CE2 3.31Å; E243-Y246 WeakPolarHBondContact OE2-CE2 3.4Å; G244-Y246 VanDerWaalsContact C-N 3.3Å; G244-Y246 PolarHBondContact O-N 3.21Å; Y246-K250 WeakPolarHBondContact O-CB 3.32Å; Y246-K250 PolarHBondContact O-N 3.41Å |
| 247 | G | 95.6 | Very high | 95 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G244 K250 R251 | G244-G247 PolarHBondContact O-N 3.08Å; G244-G247 VanDerWaalsContact O-N 3.15Å; G247-K250 PolarHBondContact O-N 2.76Å; G247-R251 WeakPolarHBondContact O-CG 3.46Å; G247-R251 PolarHBondContact O-N 2.8Å |
| 248 | N | 96.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 177.2 | -67 | -19.4 | 0 | 0 | 0 | 111.6 | N213 Y232 G244 A245 K250 R251 L252 M586 | N213-N248 PolarHBondContact OD1-ND2 3.08Å; Y232-N248 HydrophobicContact CD1-CB 4.02Å; Y232-N248 HydrophobicContact CD2-CB 4.18Å; Y232-N248 HydrophobicContact CE1-CB 3.72Å; Y232-N248 HydrophobicContact CE2-CB 3.89Å; Y232-N248 HydrophobicContact CG-CB 4.26Å; G244-N248 PolarHBondContact O-N 2.97Å; G244-N248 PolarHBondContact O-ND2 2.78Å; A245-N248 PolarHBondContact O-N 3.11Å; N248-K250 VanDerWaalsContact C-N 3.34Å; N248-K250 PolarHBondContact O-N 3.44Å; N248-R251 PolarHBondContact O-N 2.87Å; N248-R251 PolarHBondContact OD1-NH1 3.3Å; N248-L252 PolarHBondContact O-N 2.96Å; N248-M586 PolarHBondContact OD1-SD 3.31Å; N248-M586 VanDerWaalsContact OD1-SD 3.39Å |
| 249 | L | 96.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.5 | -178.7 | 62.5 | 0 | 0 | 0 | 112.3 | T229 L233 I236 A245 R251 L252 F253 | T229-L249 HydrophobicContact CG2-CD1 3.89Å; T229-L249 WeakPolarHBondContact OG1-CD1 3.48Å; L233-L249 HydrophobicContact CD2-CD2 3.62Å; L233-L249 HydrophobicContact CG-CD1 4.45Å; L233-L249 HydrophobicContact CG-CD2 3.97Å; I236-L249 HydrophobicContact CD1-CB 4.3Å; I236-L249 HydrophobicContact CD1-CD2 3.66Å; A245-L249 VanDerWaalsContact O-CB 3.28Å; A245-L249 WeakPolarHBondContact O-CB 3.38Å; A245-L249 PolarHBondContact O-N 3.45Å; L249-R251 PolarHBondContact O-N 3.28Å; L249-L252 PolarHBondContact O-N 2.85Å; L249-F253 HydrophobicContact CD1-CD2 4.31Å; L249-F253 HydrophobicContact CD1-CE1 4.06Å; L249-F253 HydrophobicContact CD1-CE2 3.82Å; L249-F253 HydrophobicContact CD1-CZ 3.69Å; L249-F253 HydrophobicContact CD2-CE2 3.94Å; L249-F253 HydrophobicContact CD2-CZ 4.35Å; L249-F253 HydrophobicContact CG-CD2 4.04Å; L249-F253 HydrophobicContact CG-CE2 3.67Å; L249-F253 HydrophobicContact CG-CZ 4.07Å; L249-F253 PolarHBondContact O-N 3.49Å |
| 250 | K | 95.1 | Very high | 94.7 | Very high | 132 Ų | 132 | 50.6 Ų | 50.6 | 57% | 0.574 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.1 | -46.1 | 176.4 | -175 | -174.3 | 172.5 | -172.5 | 0 | 111.8 | Y246 G247 N248 L252 F253 D254 | Y246-K250 WeakPolarHBondContact O-CB 3.32Å; Y246-K250 PolarHBondContact O-N 3.41Å; G247-K250 PolarHBondContact O-N 2.76Å; N248-K250 VanDerWaalsContact C-N 3.34Å; N248-K250 PolarHBondContact O-N 3.44Å; K250-L252 VanDerWaalsContact C-N 3.3Å; K250-L252 PolarHBondContact O-N 2.84Å; K250-F253 PolarHBondContact O-N 2.77Å; K250-F253 VanDerWaalsContact O-N 3.14Å; K250-D254 WeakPolarHBondContact CE-OD2 3.37Å; K250-D254 PolarHBondContact O-N 3.23Å |
| 251 | R | 96.2 | Very high | 94.5 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59 | -40.3 | 178.1 | -67.9 | 167.4 | -172.5 | 132.2 | 1.1 | 111.7 | G247 N248 L249 K255 M586 | G247-R251 WeakPolarHBondContact O-CG 3.46Å; G247-R251 PolarHBondContact O-N 2.8Å; N248-R251 PolarHBondContact O-N 2.87Å; N248-R251 PolarHBondContact OD1-NH1 3.3Å; L249-R251 PolarHBondContact O-N 3.28Å; R251-K255 WeakPolarHBondContact O-CB 3.38Å; R251-K255 PolarHBondContact O-N 3.28Å; R251-M586 HydrophobicContact CB-CE 4.13Å; R251-M586 WeakPolarHBondContact CD-SD 3.4Å |
| 252 | L | 97 | Very high | 94.2 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.2 | -62.2 | -169.7 | 0 | 0 | 0 | 112.4 | N225 A228 T229 Y232 N248 L249 K250 K255 A256 M289 | N225-L252 HydrophobicContact CB-CD1 3.86Å; N225-L252 HydrophobicContact CB-CD2 3.76Å; N225-L252 HydrophobicContact CB-CG 4.28Å; A228-L252 HydrophobicContact CB-CD1 3.77Å; T229-L252 WeakPolarHBondContact OG1-CD1 3.22Å; Y232-L252 HydrophobicContact CD2-CD1 3.81Å; Y232-L252 HydrophobicContact CE2-CD1 3.82Å; Y232-L252 HydrophobicContact CE2-CG 4.46Å; N248-L252 PolarHBondContact O-N 2.96Å; L249-L252 PolarHBondContact O-N 2.85Å; K250-L252 VanDerWaalsContact C-N 3.3Å; K250-L252 PolarHBondContact O-N 2.84Å; L252-K255 PolarHBondContact O-N 2.93Å; L252-A256 WeakPolarHBondContact O-CB 3.09Å; L252-A256 PolarHBondContact O-N 2.74Å; L252-M289 HydrophobicContact CB-CE 4.23Å |
| 253 | F | 95.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 177.5 | -77 | -20.1 | 0 | 0 | 0 | 113.2 | T229 L249 K250 K255 A256 A257 Q292 S293 Q296 | T229-F253 HydrophobicContact CG2-CE1 4.13Å; T229-F253 HydrophobicContact CG2-CZ 4.43Å; L249-F253 HydrophobicContact CD1-CD2 4.31Å; L249-F253 HydrophobicContact CD1-CE1 4.06Å; L249-F253 HydrophobicContact CD1-CE2 3.82Å; L249-F253 HydrophobicContact CD1-CZ 3.69Å; L249-F253 HydrophobicContact CD2-CE2 3.94Å; L249-F253 HydrophobicContact CD2-CZ 4.35Å; L249-F253 HydrophobicContact CG-CD2 4.04Å; L249-F253 HydrophobicContact CG-CE2 3.67Å; L249-F253 HydrophobicContact CG-CZ 4.07Å; L249-F253 PolarHBondContact O-N 3.49Å; K250-F253 PolarHBondContact O-N 2.77Å; K250-F253 VanDerWaalsContact O-N 3.14Å; F253-K255 VanDerWaalsContact C-N 3.3Å; F253-K255 PolarHBondContact O-N 2.63Å; F253-A256 PolarHBondContact O-N 3.5Å; F253-A257 PolarHBondContact O-N 3.43Å; F253-Q292 HydrophobicContact CE1-CB 3.97Å; F253-Q292 HydrophobicContact CZ-CB 4.21Å; F253-S293 VanDerWaalsContact CB-CB 3.46Å; F253-S293 VanDerWaalsContact CD1-CB 3.48Å; F253-Q296 HydrophobicContact CE2-CG 4.08Å |
| 254 | D | 94.4 | Very high | 93.4 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 173.4 | -70.6 | -27.1 | 0 | 0 | 0 | 111.1 | K250 K258 | K250-D254 WeakPolarHBondContact CE-OD2 3.37Å; K250-D254 PolarHBondContact O-N 3.23Å; D254-K258 WeakPolarHBondContact O-CG 3.23Å; D254-K258 PolarHBondContact O-N 3.04Å |
| 255 | K | 94.9 | Very high | 92.7 | Very high | 74 Ų | 74 | 64.5 Ų | 64.5 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.3 | -44.6 | 173.8 | -167.5 | 171.1 | -174.6 | 175.3 | 0 | 111.8 | R251 L252 F253 A257 K258 M259 D583 | R251-K255 WeakPolarHBondContact O-CB 3.38Å; R251-K255 PolarHBondContact O-N 3.28Å; L252-K255 PolarHBondContact O-N 2.93Å; F253-K255 VanDerWaalsContact C-N 3.3Å; F253-K255 PolarHBondContact O-N 2.63Å; K255-A257 PolarHBondContact O-N 3.32Å; K255-K258 PolarHBondContact O-N 3.39Å; K255-M259 HydrophobicContact CG-SD 4.34Å; K255-M259 WeakPolarHBondContact O-CG 3.11Å; K255-M259 PolarHBondContact O-N 2.99Å; K255-D583 IonicContact NZ-OD2 3.01Å; K255-D583 PolarHBondContact NZ-OD2 2.69Å |
| 256 | A | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L252 F253 M259 Y260 M289 | L252-A256 WeakPolarHBondContact O-CB 3.09Å; L252-A256 PolarHBondContact O-N 2.74Å; F253-A256 PolarHBondContact O-N 3.5Å; A256-M259 PolarHBondContact O-N 2.87Å; A256-Y260 WeakPolarHBondContact O-CB 3.21Å; A256-Y260 PolarHBondContact O-N 2.95Å; A256-M289 HydrophobicContact CB-CB 3.66Å |
| 257 | A | 92.8 | Very high | 89.6 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 20% | 0.198 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F253 K255 M259 Y260 H261 Y290 | F253-A257 PolarHBondContact O-N 3.43Å; K255-A257 PolarHBondContact O-N 3.32Å; A257-M259 PolarHBondContact O-N 2.74Å; A257-Y260 PolarHBondContact O-N 3.04Å; A257-H261 PolarHBondContact O-CD2 2.83Å; A257-H261 PolarHBondContact O-N 3.36Å; A257-Y290 HydrophobicContact CB-CD2 3.81Å; A257-Y290 HydrophobicContact CB-CE2 3.77Å |
| 258 | K | 93.4 | Very high | 87.4 | Confident | 162 Ų | 162 | 80.1 Ų | 80.1 | 70% | 0.704 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.7 | -47.7 | 174.3 | -66.5 | 171.6 | -177.4 | 179.6 | 0 | 111.3 | D254 K255 H261 Q262 | D254-K258 WeakPolarHBondContact O-CG 3.23Å; D254-K258 PolarHBondContact O-N 3.04Å; K255-K258 PolarHBondContact O-N 3.39Å; K258-H261 PolarHBondContact O-N 2.91Å; K258-Q262 PolarHBondContact O-N 3.35Å |
| 259 | M | 93 | Very high | 85.8 | Confident | 34 Ų | 34 | 88.5 Ų | 88.5 | 17% | 0.167 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | -179.8 | -68.4 | -179.1 | 74 | 0 | 0 | 112.8 | Y224 K255 A256 A257 H261 Q262 V263 V286 | Y224-M259 HydrophobicContact CD1-CE 3.79Å; Y224-M259 HydrophobicContact CE1-CE 4.32Å; K255-M259 HydrophobicContact CG-SD 4.34Å; K255-M259 WeakPolarHBondContact O-CG 3.11Å; K255-M259 PolarHBondContact O-N 2.99Å; A256-M259 PolarHBondContact O-N 2.87Å; A257-M259 PolarHBondContact O-N 2.74Å; M259-H261 PolarHBondContact O-N 2.99Å; M259-Q262 WeakPolarHBondContact O-CB 3.23Å; M259-Q262 PolarHBondContact O-N 3.26Å; M259-Q262 VanDerWaalsContact O-N 3.1Å; M259-V263 WeakPolarHBondContact O-CG2 3.42Å; M259-V263 PolarHBondContact O-N 3.28Å; M259-V286 HydrophobicContact CB-CG1 3.68Å; M259-V286 HydrophobicContact CB-CG2 4.41Å; M259-V286 HydrophobicContact CE-CG2 3.97Å |
| 260 | Y | 93.6 | Very high | 84.3 | Confident | 24 Ų | 24 | 96 Ų | 96 | 9% | 0.094 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 177.9 | 173.1 | -100.9 | 0 | 0 | 0 | 111.6 | A256 A257 Q262 V263 K264 Y290 L309 | A256-Y260 WeakPolarHBondContact O-CB 3.21Å; A256-Y260 PolarHBondContact O-N 2.95Å; A257-Y260 PolarHBondContact O-N 3.04Å; Y260-Q262 VanDerWaalsContact C-N 3.26Å; Y260-Q262 PolarHBondContact O-N 2.86Å; Y260-V263 PolarHBondContact O-N 3.42Å; Y260-K264 HydrophobicContact CE1-CD 3.93Å; Y260-K264 VanDerWaalsContact O-CB 3.29Å; Y260-K264 WeakPolarHBondContact O-CB 3.4Å; Y260-K264 PolarHBondContact O-N 3.5Å; Y260-K264 PolarHBondContact OH-NZ 2.86Å; Y260-K264 VanDerWaalsContact OH-NZ 3.14Å; Y260-Y290 AromaticContact CD1-CD1 3.36Å; Y260-Y290 HydrophobicContact CD1-CD1 3.36Å; Y260-Y290 AromaticContact CD1-CE1 3.37Å; Y260-Y290 HydrophobicContact CD1-CE1 3.37Å; Y260-Y290 HydrophobicContact CD1-CG 4.02Å; Y260-Y290 AromaticContact CD2-CD1 3.91Å; Y260-Y290 HydrophobicContact CD2-CD1 3.91Å; Y260-Y290 HydrophobicContact CD2-CG 4.41Å; Y260-Y290 AromaticContact CE1-CD1 3.71Å; Y260-Y290 HydrophobicContact CE1-CD1 3.71Å; Y260-Y290 AromaticContact CE1-CE1 3.49Å; Y260-Y290 HydrophobicContact CE1-CE1 3.49Å; Y260-Y290 VanDerWaalsContact CE1-CE1 3.49Å; Y260-Y290 HydrophobicContact CE2-CD1 4.2Å; Y260-Y290 AromaticContact CG-CD1 3.48Å; Y260-Y290 HydrophobicContact CG-CD1 3.48Å; Y260-Y290 VanDerWaalsContact CG-CD1 3.48Å; Y260-Y290 HydrophobicContact CG-CE1 4.02Å; Y260-Y290 AromaticContact CG-CG 3.84Å; Y260-Y290 HydrophobicContact CG-CG 3.84Å; Y260-L309 HydrophobicContact CE2-CD1 3.76Å |
| 261 | H | 90.5 | Very high | 83.3 | Confident | 93 Ų | 93 | 92.5 Ų | 92.5 | 43% | 0.431 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.2 | -24.9 | 176.6 | -64.7 | -51.6 | 0 | 0 | 0 | 113.5 | A257 K258 M259 K265 | A257-H261 PolarHBondContact O-CD2 2.83Å; A257-H261 PolarHBondContact O-N 3.36Å; K258-H261 PolarHBondContact O-N 2.91Å; M259-H261 PolarHBondContact O-N 2.99Å; H261-K265 WeakPolarHBondContact O-CD 3.25Å; H261-K265 VanDerWaalsContact O-CG 3.32Å; H261-K265 WeakPolarHBondContact O-CG 3.1Å |
| 262 | Q | 89.1 | Confident | 82.3 | Confident | 120 Ų | 120 | 90.1 Ų | 90.1 | 56% | 0.561 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -74 | -51.2 | 172.3 | -168.5 | -174.5 | 23.7 | 0 | 0 | 111.2 | K258 M259 Y260 K264 K265 | K258-Q262 PolarHBondContact O-N 3.35Å; M259-Q262 WeakPolarHBondContact O-CB 3.23Å; M259-Q262 PolarHBondContact O-N 3.26Å; M259-Q262 VanDerWaalsContact O-N 3.1Å; Y260-Q262 VanDerWaalsContact C-N 3.26Å; Y260-Q262 PolarHBondContact O-N 2.86Å; Q262-K264 VanDerWaalsContact C-N 3.3Å; Q262-K264 PolarHBondContact O-N 3.09Å; Q262-K265 PolarHBondContact O-N 3.03Å |
| 263 | V | 87.4 | Confident | 81.3 | Confident | 18 Ų | 18 | 90.7 Ų | 90.7 | 11% | 0.109 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 179 | 174 | 0 | 0 | 0 | 0 | 111.1 | M259 Y260 K265 Q266 R283 V286 | M259-V263 WeakPolarHBondContact O-CG2 3.42Å; M259-V263 PolarHBondContact O-N 3.28Å; Y260-V263 PolarHBondContact O-N 3.42Å; V263-K265 PolarHBondContact O-N 3.14Å; V263-Q266 PolarHBondContact O-N 3.09Å; V263-R283 HydrophobicContact CG1-CB 4.13Å; V263-R283 HydrophobicContact CG1-CG 4.07Å; V263-V286 HydrophobicContact CG2-CG1 4.49Å |
| 264 | K | 81.8 | Confident | 80.2 | Confident | 149 Ų | 149 | 93.6 Ų | 93.6 | 65% | 0.648 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.9 | 177.3 | -168.1 | 169.9 | -171.2 | 167 | 0 | 114.3 | Y260 Q262 | Y260-K264 HydrophobicContact CE1-CD 3.93Å; Y260-K264 VanDerWaalsContact O-CB 3.29Å; Y260-K264 WeakPolarHBondContact O-CB 3.4Å; Y260-K264 PolarHBondContact O-N 3.5Å; Y260-K264 PolarHBondContact OH-NZ 2.86Å; Y260-K264 VanDerWaalsContact OH-NZ 3.14Å; Q262-K264 VanDerWaalsContact C-N 3.3Å; Q262-K264 PolarHBondContact O-N 3.09Å |
| 265 | K | 77.6 | Confident | 79.5 | Confident | 177 Ų | 177 | 97 Ų | 97 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.7 | 177.3 | -72.8 | 175.1 | -179.8 | -178.3 | 0 | 114.1 | H261 Q262 V263 E267 | H261-K265 WeakPolarHBondContact O-CD 3.25Å; H261-K265 VanDerWaalsContact O-CG 3.32Å; H261-K265 WeakPolarHBondContact O-CG 3.1Å; Q262-K265 PolarHBondContact O-N 3.03Å; V263-K265 PolarHBondContact O-N 3.14Å; K265-E267 PolarHBondContact O-N 3.08Å |
| 266 | Q | 72.3 | Confident | 79 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | trans | -82.4 | 96.6 | -174.4 | -72.3 | -176.3 | -6.8 | 0 | 0 | 112.8 | V263 K279 | V263-Q266 PolarHBondContact O-N 3.09Å; Q266-K279 PolarHBondContact O-NZ 3.26Å; Q266-K279 VanDerWaalsContact O-NZ 3.09Å | ||
| 267 | E | 55.8 | Low | 78.6 | Confident | 175 Ų | 175 | 99.5 Ų | 99.5 | 82% | 0.818 | 47% | 0.466 | S | S | * | . | trans | -52.2 | 159 | 177.7 | -64.9 | -163 | 145.6 | 0 | 0 | 114.8 | K265 K269 | K265-E267 PolarHBondContact O-N 3.08Å; E267-K269 PolarHBondContact O-N 3.01Å | ||
| 268 | M | 48.7 | Very low | 78.2 | Confident | 187 Ų | 187 | 99.6 Ų | 99.6 | 92% | 0.921 | 47% | 0.466 | S | S | * | . | trans | -81.4 | 80.2 | -177.9 | -68.9 | -175.9 | 170.2 | 0 | 0 | 112.4 | ||||
| 269 | K | 62.4 | Low | 77.9 | Confident | 178 Ų | 178 | 93.9 Ų | 93.9 | 77% | 0.774 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 143.3 | 150.1 | -65.2 | -174.6 | 178.7 | -176.4 | 0 | 108.4 | E267 L271 | E267-K269 PolarHBondContact O-N 3.01Å; K269-L271 PolarHBondContact O-N 3.18Å |
| 270 | K | 65.3 | Low | 77.7 | Confident | 168 Ų | 168 | 92.6 Ų | 92.6 | 73% | 0.73 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 122.4 | 165.9 | -79.8 | -164 | 173.1 | -162.6 | 0 | 108 | ||
| 271 | L | 73.1 | Confident | 77.6 | Confident | 58 Ų | 58 | 92 Ų | 92 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -103.4 | 158.7 | 173.7 | -65.4 | 179.7 | 0 | 0 | 0 | 109.7 | K269 R275 Q276 K279 | K269-L271 PolarHBondContact O-N 3.18Å; L271-R275 HydrophobicContact CB-CB 4.17Å; L271-Q276 HydrophobicContact CB-CB 4.28Å; L271-K279 HydrophobicContact CD1-CB 4.2Å; L271-K279 HydrophobicContact CD1-CD 3.72Å |
| 272 | S | 75 | Confident | 77.7 | Confident | 41 Ų | 41 | 90.4 Ų | 90.4 | 29% | 0.287 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 155.3 | 165.1 | 62 | 0 | 0 | 0 | 0 | 110.2 | S274 R275 Q276 | S272-S274 VanDerWaalsContact C-N 3.32Å; S272-S274 PolarHBondContact O-N 2.96Å; S272-S274 PolarHBondContact OG-OG 3.47Å; S272-R275 PolarHBondContact O-N 2.8Å; S272-R275 VanDerWaalsContact O-N 3.12Å; S272-R275 WeakPolarHBondContact OG-CB 3.16Å; S272-R275 WeakPolarHBondContact OG-CG 3.33Å; S272-Q276 PolarHBondContact O-N 2.93Å |
| 273 | P | 75.7 | Confident | 77.8 | Confident | 25 Ų | 25 | 87.5 Ų | 87.5 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -54.2 | -40.9 | -176.9 | -32.1 | 38.3 | 0 | 0 | 0 | 115.3 | Q276 R277 L930 V934 | P273-Q276 PolarHBondContact O-N 3.43Å; P273-R277 WeakPolarHBondContact O-CG 3.34Å; P273-R277 PolarHBondContact O-N 2.71Å; P273-L930 HydrophobicContact CB-CD1 3.92Å; P273-L930 HydrophobicContact CB-CD2 3.76Å; P273-L930 HydrophobicContact CB-CG 3.57Å; P273-L930 HydrophobicContact CG-CD1 4.27Å; P273-L930 HydrophobicContact CG-CD2 4.28Å; P273-L930 HydrophobicContact CG-CG 3.68Å; P273-V934 HydrophobicContact CG-CG2 4.29Å |
| 274 | S | 73.9 | Confident | 78.2 | Confident | 77 Ų | 77 | 86.7 Ų | 86.7 | 54% | 0.538 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.5 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | S272 Q276 R277 S278 | S272-S274 VanDerWaalsContact C-N 3.32Å; S272-S274 PolarHBondContact O-N 2.96Å; S272-S274 PolarHBondContact OG-OG 3.47Å; S274-Q276 VanDerWaalsContact C-N 3.28Å; S274-Q276 PolarHBondContact O-N 2.71Å; S274-R277 PolarHBondContact O-N 2.87Å; S274-S278 WeakPolarHBondContact O-CB 3.21Å; S274-S278 PolarHBondContact O-N 2.92Å; S274-S278 VanDerWaalsContact O-N 3.1Å; S274-S278 PolarHBondContact O-OG 2.9Å |
| 275 | R | 79.9 | Confident | 78.9 | Confident | 151 Ų | 151 | 79.6 Ų | 79.6 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.9 | -31.8 | 175.7 | -68.4 | 179.4 | 178.1 | 175.3 | 0.6 | 111.7 | L271 S272 K279 | L271-R275 HydrophobicContact CB-CB 4.17Å; S272-R275 PolarHBondContact O-N 2.8Å; S272-R275 VanDerWaalsContact O-N 3.12Å; S272-R275 WeakPolarHBondContact OG-CB 3.16Å; S272-R275 WeakPolarHBondContact OG-CG 3.33Å; R275-K279 WeakPolarHBondContact O-CB 3.39Å; R275-K279 PolarHBondContact O-N 3.44Å |
| 276 | Q | 83.3 | Confident | 79.8 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70 | -50.3 | 174.3 | -175.1 | 57 | 44.5 | 0 | 0 | 112.2 | L271 S272 P273 S274 S278 K279 D280 | L271-Q276 HydrophobicContact CB-CB 4.28Å; S272-Q276 PolarHBondContact O-N 2.93Å; P273-Q276 PolarHBondContact O-N 3.43Å; S274-Q276 VanDerWaalsContact C-N 3.28Å; S274-Q276 PolarHBondContact O-N 2.71Å; Q276-S278 PolarHBondContact O-N 3.37Å; Q276-K279 WeakPolarHBondContact O-CB 3.46Å; Q276-K279 PolarHBondContact O-N 3.12Å; Q276-D280 VanDerWaalsContact NE2-CG 3.25Å; Q276-D280 PolarHBondContact NE2-OD1 2.96Å; Q276-D280 VanDerWaalsContact NE2-OD1 3.17Å; Q276-D280 PolarHBondContact NE2-OD2 3.41Å; Q276-D280 PolarHBondContact O-N 3.32Å |
| 277 | R | 85.5 | Confident | 80.9 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.4 | -45.7 | 174.7 | -69.8 | -175.9 | -171.2 | -161.5 | 3.5 | 111.3 | P273 S274 K279 D280 I281 Y323 L324 | P273-R277 WeakPolarHBondContact O-CG 3.34Å; P273-R277 PolarHBondContact O-N 2.71Å; S274-R277 PolarHBondContact O-N 2.87Å; R277-K279 PolarHBondContact O-N 3.23Å; R277-D280 PolarHBondContact O-N 3.44Å; R277-I281 WeakPolarHBondContact O-CB 3.13Å; R277-I281 WeakPolarHBondContact O-CG1 3.37Å; R277-I281 PolarHBondContact O-N 2.91Å; R277-Y323 HydrophobicContact CB-CD2 3.94Å; R277-Y323 HydrophobicContact CB-CE2 3.73Å; R277-Y323 HydrophobicContact CG-CD1 4.14Å; R277-Y323 HydrophobicContact CG-CD2 3.89Å; R277-Y323 HydrophobicContact CG-CE1 4.06Å; R277-Y323 HydrophobicContact CG-CE2 3.79Å; R277-Y323 HydrophobicContact CG-CG 4.08Å; R277-L324 PolarHBondContact NH1-O 3.16Å |
| 278 | S | 86.1 | Confident | 82.9 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 179.8 | -49.4 | 0 | 0 | 0 | 0 | 112.3 | S274 Q276 K282 S350 | S274-S278 WeakPolarHBondContact O-CB 3.21Å; S274-S278 PolarHBondContact O-N 2.92Å; S274-S278 VanDerWaalsContact O-N 3.1Å; S274-S278 PolarHBondContact O-OG 2.9Å; Q276-S278 PolarHBondContact O-N 3.37Å; S278-K282 VanDerWaalsContact O-CB 3.27Å; S278-K282 WeakPolarHBondContact O-CB 3.24Å; S278-K282 PolarHBondContact O-N 2.76Å; S278-S350 PolarHBondContact OG-OG 3.05Å |
| 279 | K | 86.1 | Confident | 85.2 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.8 | -37.5 | 172.2 | -176.4 | 173.4 | 179.8 | 179.3 | 0 | 112.5 | Q266 L271 R275 Q276 R277 R283 | Q266-K279 PolarHBondContact O-NZ 3.26Å; Q266-K279 VanDerWaalsContact O-NZ 3.09Å; L271-K279 HydrophobicContact CD1-CB 4.2Å; L271-K279 HydrophobicContact CD1-CD 3.72Å; R275-K279 WeakPolarHBondContact O-CB 3.39Å; R275-K279 PolarHBondContact O-N 3.44Å; Q276-K279 WeakPolarHBondContact O-CB 3.46Å; Q276-K279 PolarHBondContact O-N 3.12Å; R277-K279 PolarHBondContact O-N 3.23Å; K279-R283 WeakPolarHBondContact O-CB 3.38Å; K279-R283 PolarHBondContact O-N 3.23Å |
| 280 | D | 88.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.6 | -42.5 | 177.3 | -69.2 | -43.8 | 0 | 0 | 0 | 111.5 | Q276 R277 K282 R283 V284 V320 Y323 | Q276-D280 VanDerWaalsContact NE2-CG 3.25Å; Q276-D280 PolarHBondContact NE2-OD1 2.96Å; Q276-D280 VanDerWaalsContact NE2-OD1 3.17Å; Q276-D280 PolarHBondContact NE2-OD2 3.41Å; Q276-D280 PolarHBondContact O-N 3.32Å; R277-D280 PolarHBondContact O-N 3.44Å; D280-K282 PolarHBondContact O-N 3.46Å; D280-R283 PolarHBondContact O-N 3.08Å; D280-R283 IonicContact OD1-CZ 2.72Å; D280-R283 IonicContact OD1-NH1 3.97Å; D280-R283 PolarHBondContact OD1-NH1 3.44Å; D280-R283 IonicContact OD1-NH2 2.73Å; D280-R283 PolarHBondContact OD1-NH2 3.19Å; D280-V284 PolarHBondContact O-N 2.65Å; D280-V320 HydrophobicContact CB-CG2 4Å; D280-Y323 HydrophobicContact CB-CE2 4.19Å; D280-Y323 WeakPolarHBondContact CB-OH 3.3Å; D280-Y323 PolarHBondContact OD2-OH 2.98Å |
| 281 | I | 91.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 170.3 | -72 | 165.8 | 0 | 0 | 0 | 111 | R277 R283 V284 L285 V320 Y323 Y351 L354 | R277-I281 WeakPolarHBondContact O-CB 3.13Å; R277-I281 WeakPolarHBondContact O-CG1 3.37Å; R277-I281 PolarHBondContact O-N 2.91Å; I281-R283 VanDerWaalsContact C-N 3.35Å; I281-R283 PolarHBondContact O-N 2.92Å; I281-V284 WeakPolarHBondContact O-CG1 3.33Å; I281-V284 PolarHBondContact O-N 2.87Å; I281-L285 HydrophobicContact CG2-CD1 3.79Å; I281-L285 WeakPolarHBondContact O-CB 3.41Å; I281-L285 WeakPolarHBondContact O-CG 3.33Å; I281-L285 PolarHBondContact O-N 3.07Å; I281-L285 VanDerWaalsContact O-N 3.11Å; I281-V320 HydrophobicContact CD1-CG1 4.41Å; I281-V320 HydrophobicContact CG1-CG1 3.51Å; I281-V320 HydrophobicContact CG1-CG2 4.33Å; I281-Y323 HydrophobicContact CD1-CD2 4.3Å; I281-Y323 HydrophobicContact CG1-CD2 4.43Å; I281-Y351 WeakPolarHBondContact CD1-O 3.25Å; I281-L354 HydrophobicContact CG2-CD2 4.07Å |
| 282 | K | 92.7 | Very high | 89.3 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 27% | 0.265 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 175 | -172.8 | 164.4 | -159 | 145.2 | 0 | 112.1 | Y224 S278 D280 V286 D348 | Y224-K282 HydrophobicContact CD2-CG 4.41Å; Y224-K282 HydrophobicContact CE1-CD 4.03Å; Y224-K282 VanDerWaalsContact CE1-CE 3.41Å; Y224-K282 HydrophobicContact CE1-CG 4.01Å; Y224-K282 HydrophobicContact CE2-CB 3.83Å; Y224-K282 HydrophobicContact CE2-CD 4.38Å; Y224-K282 HydrophobicContact CE2-CG 3.75Å; Y224-K282 VanDerWaalsContact OH-CD 3.28Å; Y224-K282 WeakPolarHBondContact OH-CD 3.34Å; Y224-K282 WeakPolarHBondContact OH-CE 3.25Å; Y224-K282 PolarHBondContact OH-NZ 3.46Å; S278-K282 VanDerWaalsContact O-CB 3.27Å; S278-K282 WeakPolarHBondContact O-CB 3.24Å; S278-K282 PolarHBondContact O-N 2.76Å; D280-K282 PolarHBondContact O-N 3.46Å; K282-V286 HydrophobicContact CG-CG2 4.39Å; K282-V286 VanDerWaalsContact O-CB 3.32Å; K282-V286 WeakPolarHBondContact O-CB 3.43Å; K282-V286 VanDerWaalsContact O-CG2 3.25Å; K282-V286 WeakPolarHBondContact O-CG2 3.47Å; K282-V286 PolarHBondContact O-N 2.96Å; K282-V286 VanDerWaalsContact O-N 3.12Å; K282-D348 IonicContact NZ-OD2 2.68Å; K282-D348 PolarHBondContact NZ-OD2 2.99Å |
| 283 | R | 92.1 | Very high | 90.2 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 22% | 0.223 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 177.7 | -174.7 | 172.9 | 66.6 | -101.5 | -0 | 111.8 | V263 K279 D280 I281 S287 D316 | V263-R283 HydrophobicContact CG1-CB 4.13Å; V263-R283 HydrophobicContact CG1-CG 4.07Å; K279-R283 WeakPolarHBondContact O-CB 3.38Å; K279-R283 PolarHBondContact O-N 3.23Å; D280-R283 PolarHBondContact O-N 3.08Å; D280-R283 IonicContact OD1-CZ 2.72Å; D280-R283 IonicContact OD1-NH1 3.97Å; D280-R283 PolarHBondContact OD1-NH1 3.44Å; D280-R283 IonicContact OD1-NH2 2.73Å; D280-R283 PolarHBondContact OD1-NH2 3.19Å; I281-R283 VanDerWaalsContact C-N 3.35Å; I281-R283 PolarHBondContact O-N 2.92Å; R283-S287 WeakPolarHBondContact O-CB 3.49Å; R283-S287 PolarHBondContact O-N 3.34Å; R283-S287 PolarHBondContact O-OG 2.97Å; R283-D316 WeakPolarHBondContact CD-OD2 3.45Å; R283-D316 WeakPolarHBondContact CG-OD2 3.43Å; R283-D316 IonicContact CZ-OD1 2.68Å; R283-D316 VanDerWaalsContact CZ-OD1 3.22Å; R283-D316 IonicContact CZ-OD2 3.78Å; R283-D316 IonicContact NE-OD1 2.77Å; R283-D316 PolarHBondContact NE-OD1 3.48Å; R283-D316 IonicContact NE-OD2 3.16Å; R283-D316 PolarHBondContact NE-OD2 2.95Å; R283-D316 IonicContact NH2-OD1 2.7Å; R283-D316 PolarHBondContact NH2-OD1 3.21Å; R283-D316 IonicContact NH2-OD2 2.81Å |
| 284 | V | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | -178.2 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | D280 I281 S287 F288 D316 F317 V320 L354 | D280-V284 PolarHBondContact O-N 2.65Å; I281-V284 WeakPolarHBondContact O-CG1 3.33Å; I281-V284 PolarHBondContact O-N 2.87Å; V284-S287 PolarHBondContact O-N 3.48Å; V284-F288 WeakPolarHBondContact O-CB 3.38Å; V284-F288 PolarHBondContact O-N 3.09Å; V284-D316 HydrophobicContact CB-CB 3.92Å; V284-D316 HydrophobicContact CG2-CB 4.02Å; V284-F317 HydrophobicContact CG2-CB 3.87Å; V284-F317 HydrophobicContact CG2-CD2 4.47Å; V284-V320 HydrophobicContact CG1-CB 4.49Å; V284-V320 HydrophobicContact CG1-CG2 4.15Å; V284-L354 HydrophobicContact CG1-CD1 4.36Å |
| 285 | L | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.1 | -43.6 | -177.8 | -67.4 | 171.5 | 0 | 0 | 0 | 112.3 | F223 Y224 V226 I281 F288 M289 L354 L358 M362 | F223-L285 HydrophobicContact CB-CD1 4.2Å; Y224-L285 HydrophobicContact CD2-CB 3.83Å; Y224-L285 HydrophobicContact CD2-CD1 3.84Å; Y224-L285 HydrophobicContact CD2-CG 4.5Å; Y224-L285 HydrophobicContact CE2-CD1 4.33Å; V226-L285 HydrophobicContact CG2-CB 4.36Å; V226-L285 HydrophobicContact CG2-CD2 3.99Å; I281-L285 HydrophobicContact CG2-CD1 3.79Å; I281-L285 WeakPolarHBondContact O-CB 3.41Å; I281-L285 WeakPolarHBondContact O-CG 3.33Å; I281-L285 PolarHBondContact O-N 3.07Å; I281-L285 VanDerWaalsContact O-N 3.11Å; L285-F288 PolarHBondContact O-N 3.4Å; L285-M289 WeakPolarHBondContact O-CB 3.48Å; L285-M289 WeakPolarHBondContact O-CG 3.29Å; L285-M289 PolarHBondContact O-N 3.12Å; L285-L354 HydrophobicContact CD1-CD2 3.97Å; L285-L354 HydrophobicContact CD2-CD2 3.93Å; L285-L354 HydrophobicContact CG-CD2 4.07Å; L285-L358 HydrophobicContact CD1-CD2 4.47Å; L285-L358 HydrophobicContact CD2-CD2 3.95Å; L285-M362 HydrophobicContact CD2-CE 4.47Å; L285-M362 HydrophobicContact CD2-SD 3.98Å |
| 286 | V | 95.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | Y224 M259 V263 K282 M289 Y290 | Y224-V286 HydrophobicContact CD1-CG2 4.31Å; Y224-V286 HydrophobicContact CD2-CG2 4.47Å; Y224-V286 HydrophobicContact CG-CG2 3.99Å; M259-V286 HydrophobicContact CB-CG1 3.68Å; M259-V286 HydrophobicContact CB-CG2 4.41Å; M259-V286 HydrophobicContact CE-CG2 3.97Å; V263-V286 HydrophobicContact CG2-CG1 4.49Å; K282-V286 HydrophobicContact CG-CG2 4.39Å; K282-V286 VanDerWaalsContact O-CB 3.32Å; K282-V286 WeakPolarHBondContact O-CB 3.43Å; K282-V286 VanDerWaalsContact O-CG2 3.25Å; K282-V286 WeakPolarHBondContact O-CG2 3.47Å; K282-V286 PolarHBondContact O-N 2.96Å; K282-V286 VanDerWaalsContact O-N 3.12Å; V286-M289 PolarHBondContact O-N 3.08Å; V286-Y290 PolarHBondContact O-N 3.45Å |
| 287 | S | 95.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72 | -33.3 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | R283 V284 L291 | R283-S287 WeakPolarHBondContact O-CB 3.49Å; R283-S287 PolarHBondContact O-N 3.34Å; R283-S287 PolarHBondContact O-OG 2.97Å; V284-S287 PolarHBondContact O-N 3.48Å; S287-L291 WeakPolarHBondContact O-CB 3.36Å; S287-L291 PolarHBondContact O-N 2.91Å |
| 288 | F | 97.6 | Very high | 92 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -48.9 | 169.8 | 176.6 | -91.8 | 0 | 0 | 0 | 111 | V226 V284 L285 Y290 L291 Q292 V313 M362 T365 F387 | V226-F288 HydrophobicContact CG1-CE1 4.37Å; V226-F288 HydrophobicContact CG2-CD1 4.24Å; V284-F288 WeakPolarHBondContact O-CB 3.38Å; V284-F288 PolarHBondContact O-N 3.09Å; L285-F288 PolarHBondContact O-N 3.4Å; F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 PolarHBondContact O-N 3.35Å; F288-L291 WeakPolarHBondContact O-CB 3.32Å; F288-L291 PolarHBondContact O-N 3.25Å; F288-L291 VanDerWaalsContact O-N 3.1Å; F288-Q292 HydrophobicContact CD1-CG 4.1Å; F288-Q292 HydrophobicContact CE1-CG 3.73Å; F288-Q292 HydrophobicContact CE2-CG 4.42Å; F288-Q292 HydrophobicContact CZ-CG 3.91Å; F288-Q292 VanDerWaalsContact CZ-NE2 3.3Å; F288-Q292 WeakPolarHBondContact O-CG 3.45Å; F288-Q292 PolarHBondContact O-N 3.46Å; F288-V313 HydrophobicContact CB-CG1 4.27Å; F288-V313 HydrophobicContact CD2-CG1 4.39Å; F288-M362 HydrophobicContact CB-CE 4.29Å; F288-M362 HydrophobicContact CD1-CE 4.13Å; F288-M362 HydrophobicContact CD1-CG 4.45Å; F288-M362 HydrophobicContact CD2-CE 3.66Å; F288-M362 HydrophobicContact CE1-CB 4.28Å; F288-M362 HydrophobicContact CE1-CE 4.39Å; F288-M362 HydrophobicContact CE1-CG 3.98Å; F288-M362 HydrophobicContact CE2-CB 4.23Å; F288-M362 HydrophobicContact CE2-CE 3.93Å; F288-M362 HydrophobicContact CG-CE 3.77Å; F288-M362 HydrophobicContact CZ-CB 3.82Å; F288-M362 HydrophobicContact CZ-CE 4.3Å; F288-M362 HydrophobicContact CZ-CG 4.02Å; F288-T365 HydrophobicContact CE1-CG2 4.37Å; F288-T365 HydrophobicContact CZ-CG2 4.28Å; F288-F387 HydrophobicContact CD2-CZ 4.33Å; F288-F387 HydrophobicContact CE2-CE1 4.39Å |
| 289 | M | 97.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 177.2 | -77.1 | -73.7 | -74.9 | 0 | 0 | 112.8 | N225 V226 T229 L252 A256 L285 V286 Q292 S293 | N225-M289 HydrophobicContact CB-CE 3.95Å; V226-M289 HydrophobicContact CB-SD 4.32Å; V226-M289 HydrophobicContact CG2-CG 3.44Å; V226-M289 VanDerWaalsContact CG2-CG 3.44Å; V226-M289 HydrophobicContact CG2-SD 3.77Å; T229-M289 HydrophobicContact CG2-SD 4.1Å; T229-M289 VanDerWaalsContact OG1-CE 3.26Å; T229-M289 WeakPolarHBondContact OG1-CE 3.35Å; L252-M289 HydrophobicContact CB-CE 4.23Å; A256-M289 HydrophobicContact CB-CB 3.66Å; L285-M289 WeakPolarHBondContact O-CB 3.48Å; L285-M289 WeakPolarHBondContact O-CG 3.29Å; L285-M289 PolarHBondContact O-N 3.12Å; V286-M289 PolarHBondContact O-N 3.08Å; M289-Q292 PolarHBondContact O-N 3.27Å; M289-S293 PolarHBondContact O-N 2.87Å |
| 290 | Y | 95.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 16% | 0.161 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 172.7 | -177.4 | -121.5 | 0 | 0 | 0 | 111.8 | A257 Y260 V286 F288 Q292 S293 L294 L309 | A257-Y290 HydrophobicContact CB-CD2 3.81Å; A257-Y290 HydrophobicContact CB-CE2 3.77Å; Y260-Y290 AromaticContact CD1-CD1 3.36Å; Y260-Y290 HydrophobicContact CD1-CD1 3.36Å; Y260-Y290 AromaticContact CD1-CE1 3.37Å; Y260-Y290 HydrophobicContact CD1-CE1 3.37Å; Y260-Y290 HydrophobicContact CD1-CG 4.02Å; Y260-Y290 AromaticContact CD2-CD1 3.91Å; Y260-Y290 HydrophobicContact CD2-CD1 3.91Å; Y260-Y290 HydrophobicContact CD2-CG 4.41Å; Y260-Y290 AromaticContact CE1-CD1 3.71Å; Y260-Y290 HydrophobicContact CE1-CD1 3.71Å; Y260-Y290 AromaticContact CE1-CE1 3.49Å; Y260-Y290 HydrophobicContact CE1-CE1 3.49Å; Y260-Y290 VanDerWaalsContact CE1-CE1 3.49Å; Y260-Y290 HydrophobicContact CE2-CD1 4.2Å; Y260-Y290 AromaticContact CG-CD1 3.48Å; Y260-Y290 HydrophobicContact CG-CD1 3.48Å; Y260-Y290 VanDerWaalsContact CG-CD1 3.48Å; Y260-Y290 HydrophobicContact CG-CE1 4.02Å; Y260-Y290 AromaticContact CG-CG 3.84Å; Y260-Y290 HydrophobicContact CG-CG 3.84Å; V286-Y290 PolarHBondContact O-N 3.45Å; F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 PolarHBondContact O-N 3.35Å; Y290-Q292 VanDerWaalsContact C-N 3.33Å; Y290-Q292 PolarHBondContact O-N 3.05Å; Y290-S293 PolarHBondContact O-N 3.36Å; Y290-S293 PolarHBondContact O-OG 2.84Å; Y290-L294 HydrophobicContact CD2-CD2 4.18Å; Y290-L294 HydrophobicContact CE1-CD1 4.09Å; Y290-L294 HydrophobicContact CE1-CD2 4.34Å; Y290-L294 HydrophobicContact CE1-CG 4.4Å; Y290-L294 HydrophobicContact CE2-CD2 3.68Å; Y290-L294 HydrophobicContact CE2-CG 4.44Å; Y290-L294 WeakPolarHBondContact O-CG 3.35Å; Y290-L294 PolarHBondContact O-N 2.83Å; Y290-L309 HydrophobicContact CD1-CD1 4.33Å; Y290-L309 HydrophobicContact CD1-CD2 3.6Å; Y290-L309 HydrophobicContact CE1-CD2 3.95Å |
| 291 | L | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 174.7 | 178.5 | 59.1 | 0 | 0 | 0 | 112.2 | S287 F288 S293 L294 L295 L306 L309 V313 F387 | S287-L291 WeakPolarHBondContact O-CB 3.36Å; S287-L291 PolarHBondContact O-N 2.91Å; F288-L291 WeakPolarHBondContact O-CB 3.32Å; F288-L291 PolarHBondContact O-N 3.25Å; F288-L291 VanDerWaalsContact O-N 3.1Å; L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 2.96Å; L291-L294 PolarHBondContact O-N 3.47Å; L291-L295 HydrophobicContact CD1-CD1 3.97Å; L291-L295 HydrophobicContact CD1-CG 4.12Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 WeakPolarHBondContact O-CG 3.3Å; L291-L295 PolarHBondContact O-N 3Å; L291-L306 HydrophobicContact CD1-CD1 3.5Å; L291-L309 HydrophobicContact CB-CD2 3.87Å; L291-L309 HydrophobicContact CB-CG 4.21Å; L291-L309 HydrophobicContact CD1-CD2 3.95Å; L291-L309 HydrophobicContact CD1-CG 4.21Å; L291-L309 HydrophobicContact CG-CD2 4.5Å; L291-V313 HydrophobicContact CD2-CB 4.33Å; L291-V313 HydrophobicContact CD2-CG1 4.41Å; L291-V313 HydrophobicContact CD2-CG2 4.24Å; L291-F387 HydrophobicContact CD2-CD1 4.21Å; L291-F387 HydrophobicContact CD2-CD2 3.74Å; L291-F387 HydrophobicContact CD2-CE1 3.94Å; L291-F387 HydrophobicContact CD2-CE2 3.42Å; L291-F387 VanDerWaalsContact CD2-CE2 3.42Å; L291-F387 HydrophobicContact CD2-CG 4.12Å; L291-F387 HydrophobicContact CD2-CZ 3.55Å |
| 292 | Q | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67 | -29.7 | 174.9 | -57.2 | -46 | -31.4 | 0 | 0 | 112.8 | F253 F288 M289 Y290 Q296 T365 | F253-Q292 HydrophobicContact CE1-CB 3.97Å; F253-Q292 HydrophobicContact CZ-CB 4.21Å; F288-Q292 HydrophobicContact CD1-CG 4.1Å; F288-Q292 HydrophobicContact CE1-CG 3.73Å; F288-Q292 HydrophobicContact CE2-CG 4.42Å; F288-Q292 HydrophobicContact CZ-CG 3.91Å; F288-Q292 VanDerWaalsContact CZ-NE2 3.3Å; F288-Q292 WeakPolarHBondContact O-CG 3.45Å; F288-Q292 PolarHBondContact O-N 3.46Å; M289-Q292 PolarHBondContact O-N 3.27Å; Y290-Q292 VanDerWaalsContact C-N 3.33Å; Y290-Q292 PolarHBondContact O-N 3.05Å; Q292-Q296 PolarHBondContact O-NE2 2.95Å; Q292-T365 HydrophobicContact CG-CG2 4.08Å |
| 293 | S | 93.8 | Very high | 87.1 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.6 | -28.2 | 172.6 | 79.2 | 0 | 0 | 0 | 0 | 113.2 | F253 M289 Y290 L291 Q296 N299 | F253-S293 VanDerWaalsContact CB-CB 3.46Å; F253-S293 VanDerWaalsContact CD1-CB 3.48Å; M289-S293 PolarHBondContact O-N 2.87Å; Y290-S293 PolarHBondContact O-N 3.36Å; Y290-S293 PolarHBondContact O-OG 2.84Å; L291-S293 VanDerWaalsContact C-N 3.31Å; L291-S293 PolarHBondContact O-N 2.96Å; S293-Q296 WeakPolarHBondContact O-CG 3.45Å; S293-N299 PolarHBondContact O-ND2 3.32Å |
| 294 | L | 91.9 | Very high | 86 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.3 | -40.6 | 173.2 | -56.6 | -159.8 | 0 | 0 | 0 | 111.8 | Y290 L291 Q296 N299 L301 L306 L309 Q380 | Y290-L294 HydrophobicContact CD2-CD2 4.18Å; Y290-L294 HydrophobicContact CE1-CD1 4.09Å; Y290-L294 HydrophobicContact CE1-CD2 4.34Å; Y290-L294 HydrophobicContact CE1-CG 4.4Å; Y290-L294 HydrophobicContact CE2-CD2 3.68Å; Y290-L294 HydrophobicContact CE2-CG 4.44Å; Y290-L294 WeakPolarHBondContact O-CG 3.35Å; Y290-L294 PolarHBondContact O-N 2.83Å; L291-L294 PolarHBondContact O-N 3.47Å; L294-Q296 PolarHBondContact O-N 3.36Å; L294-N299 WeakPolarHBondContact O-CB 3.33Å; L294-N299 PolarHBondContact O-ND2 3.03Å; L294-L301 HydrophobicContact CB-CD1 4.08Å; L294-L301 HydrophobicContact CD1-CD1 4.02Å; L294-L301 HydrophobicContact CD2-CD1 3.69Å; L294-L301 HydrophobicContact CG-CD1 4.12Å; L294-L306 HydrophobicContact CB-CD1 4.25Å; L294-L306 HydrophobicContact CD1-CD1 4.39Å; L294-L309 HydrophobicContact CD1-CD2 3.73Å; L294-L309 HydrophobicContact CG-CD2 4.37Å; L294-Q380 PolarHBondContact O-NE2 2.71Å; L294-Q380 VanDerWaalsContact O-NE2 3.12Å; L294-Q380 PolarHBondContact O-OE1 3.37Å; L294-Q380 VanDerWaalsContact O-OE1 3.07Å |
| 295 | L | 92.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78 | 53.9 | -177.7 | -69 | 176.6 | 0 | 0 | 0 | 113.3 | L291 L306 V369 L373 Q380 | L291-L295 HydrophobicContact CD1-CD1 3.97Å; L291-L295 HydrophobicContact CD1-CG 4.12Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 WeakPolarHBondContact O-CG 3.3Å; L291-L295 PolarHBondContact O-N 3Å; L295-L306 HydrophobicContact CD2-CD1 3.98Å; L295-L306 HydrophobicContact CD2-CD2 3.95Å; L295-L306 HydrophobicContact CG-CD1 4.32Å; L295-V369 HydrophobicContact CB-CG1 3.73Å; L295-V369 HydrophobicContact CD1-CG1 4.41Å; L295-V369 WeakPolarHBondContact O-CG1 3.17Å; L295-L373 HydrophobicContact CB-CD1 4.31Å; L295-L373 HydrophobicContact CD2-CD1 4.39Å; L295-Q380 HydrophobicContact CD2-CB 4.08Å |
| 296 | Q | 89.3 | Confident | 84.8 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -114.7 | 142.9 | -179.7 | -65.4 | -61.2 | -44.2 | 0 | 0 | 111.6 | F253 Q292 S293 L294 K298 N299 | F253-Q296 HydrophobicContact CE2-CG 4.08Å; Q292-Q296 PolarHBondContact O-NE2 2.95Å; S293-Q296 WeakPolarHBondContact O-CG 3.45Å; L294-Q296 PolarHBondContact O-N 3.36Å; Q296-K298 PolarHBondContact O-N 3.24Å; Q296-N299 WeakPolarHBondContact O-CB 3.36Å; Q296-N299 PolarHBondContact O-N 3.36Å | ||
| 297 | P | 84.1 | Confident | 84.3 | Confident | 48 Ų | 48 | 54 Ų | 54 | 31% | 0.312 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.3 | -174 | -29.1 | 36.2 | 0 | 0 | 0 | 116.2 | L373 | P297-L373 HydrophobicContact CG-CD2 4.26Š|
| 298 | K | 78.8 | Confident | 83.9 | Confident | 204 Ų | 204 | 57.4 Ų | 57.4 | 89% | 0.887 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -1.2 | 179.9 | -63.8 | -179 | 179 | 177.1 | 0 | 113.9 | Q296 | Q296-K298 PolarHBondContact O-N 3.24Š|
| 299 | N | 78.9 | Confident | 83.6 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | trans | -95.4 | 137.5 | -177.3 | -71.5 | -8.4 | 0 | 0 | 0 | 112.6 | S293 L294 Q296 | S293-N299 PolarHBondContact O-ND2 3.32Å; L294-N299 WeakPolarHBondContact O-CB 3.33Å; L294-N299 PolarHBondContact O-ND2 3.03Å; Q296-N299 WeakPolarHBondContact O-CB 3.36Å; Q296-N299 PolarHBondContact O-N 3.36Å | ||
| 300 | S | 65.9 | Low | 83.4 | Confident | 123 Ų | 123 | 57.7 Ų | 57.7 | 86% | 0.86 | 31% | 0.309 | S | S | * | . | trans | -127.1 | 78.2 | 176.3 | 62 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 301 | L | 67.8 | Low | 83.1 | Confident | 85 Ų | 85 | 57 Ų | 57 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | trans | -98.8 | 165.3 | 179.1 | -77.1 | 167.6 | 0 | 0 | 0 | 113 | L294 | L294-L301 HydrophobicContact CB-CD1 4.08Å; L294-L301 HydrophobicContact CD1-CD1 4.02Å; L294-L301 HydrophobicContact CD2-CD1 3.69Å; L294-L301 HydrophobicContact CG-CD1 4.12Å | ||
| 302 | M | 62.3 | Low | 82.9 | Confident | 135 Ų | 135 | 59 Ų | 59 | 67% | 0.665 | 32% | 0.321 | S | S | * | . | trans | -69.3 | 127.2 | 176.5 | -71.4 | -69.6 | 163.1 | 0 | 0 | 111.4 | T304 E305 L306 | M302-T304 PolarHBondContact O-N 3.07Å; M302-E305 PolarHBondContact O-N 2.93Å; M302-L306 PolarHBondContact O-N 3.11Å | ||
| 303 | E | 67.1 | Low | 82.9 | Confident | 91 Ų | 91 | 59.1 Ų | 59.1 | 43% | 0.425 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -30.2 | -174.8 | -167.6 | 171.8 | -163.4 | 0 | 0 | 112.9 | T307 N651 | E303-T307 WeakPolarHBondContact O-CB 3.32Å; E303-T307 PolarHBondContact O-N 3.24Å; E303-T307 PolarHBondContact O-OG1 3.04Å; E303-N651 PolarHBondContact OE1-ND2 3.02Å |
| 304 | T | 69.8 | Low | 82.8 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 68% | 0.681 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.2 | -45.1 | 179.5 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | M302 T307 S308 | M302-T304 PolarHBondContact O-N 3.07Å; T304-T307 PolarHBondContact O-N 3.34Å; T304-S308 PolarHBondContact O-N 3.2Å; T304-S308 VanDerWaalsContact O-N 3.13Å |
| 305 | E | 78.8 | Confident | 82.5 | Confident | 127 Ų | 127 | 62.1 Ų | 62.1 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.8 | -44.4 | 178.2 | -62.9 | -168.3 | 129.7 | 0 | 0 | 110.6 | M302 T307 S308 L309 | M302-E305 PolarHBondContact O-N 2.93Å; E305-T307 PolarHBondContact O-N 2.93Å; E305-S308 PolarHBondContact O-N 3.18Å; E305-S308 PolarHBondContact O-OG 3.4Å; E305-L309 PolarHBondContact O-N 3.39Å |
| 306 | L | 86.7 | Confident | 82.3 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 175.5 | -178 | 62.7 | 0 | 0 | 0 | 111.6 | L291 L294 L295 M302 S308 L309 C310 Q380 A383 | L291-L306 HydrophobicContact CD1-CD1 3.5Å; L294-L306 HydrophobicContact CB-CD1 4.25Å; L294-L306 HydrophobicContact CD1-CD1 4.39Å; L295-L306 HydrophobicContact CD2-CD1 3.98Å; L295-L306 HydrophobicContact CD2-CD2 3.95Å; L295-L306 HydrophobicContact CG-CD1 4.32Å; M302-L306 PolarHBondContact O-N 3.11Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 2.93Å; L306-L309 PolarHBondContact O-N 3.25Å; L306-L309 VanDerWaalsContact O-N 3.15Å; L306-C310 PolarHBondContact O-N 3.31Å; L306-C310 PolarHBondContact O-SG 3.1Å; L306-C310 VanDerWaalsContact O-SG 3.32Å; L306-Q380 HydrophobicContact CD2-CB 4.41Å; L306-Q380 HydrophobicContact CD2-CG 4.03Å; L306-A383 HydrophobicContact CD2-CB 3.91Å |
| 307 | T | 86.3 | Confident | 82.5 | Confident | 21 Ų | 21 | 61 Ų | 61 | 13% | 0.129 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | 177.9 | -57 | 0 | 0 | 0 | 0 | 111.8 | E303 T304 E305 C310 Q311 | E303-T307 WeakPolarHBondContact O-CB 3.32Å; E303-T307 PolarHBondContact O-N 3.24Å; E303-T307 PolarHBondContact O-OG1 3.04Å; T304-T307 PolarHBondContact O-N 3.34Å; E305-T307 PolarHBondContact O-N 2.93Å; T307-C310 PolarHBondContact O-N 2.85Å; T307-Q311 PolarHBondContact O-N 2.63Å |
| 308 | S | 87.4 | Confident | 82.6 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 176.7 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | T304 E305 L306 S312 | T304-S308 PolarHBondContact O-N 3.2Å; T304-S308 VanDerWaalsContact O-N 3.13Å; E305-S308 PolarHBondContact O-N 3.18Å; E305-S308 PolarHBondContact O-OG 3.4Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 2.93Å; S308-S312 PolarHBondContact O-N 3.21Å; S308-S312 VanDerWaalsContact O-N 3.09Å |
| 309 | L | 91.4 | Very high | 82.9 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.4 | -43.6 | 175.3 | -178.5 | 63 | 0 | 0 | 0 | 111.2 | Y260 Y290 L291 L294 E305 L306 Q311 S312 V313 | Y260-L309 HydrophobicContact CE2-CD1 3.76Å; Y290-L309 HydrophobicContact CD1-CD1 4.33Å; Y290-L309 HydrophobicContact CD1-CD2 3.6Å; Y290-L309 HydrophobicContact CE1-CD2 3.95Å; L291-L309 HydrophobicContact CB-CD2 3.87Å; L291-L309 HydrophobicContact CB-CG 4.21Å; L291-L309 HydrophobicContact CD1-CD2 3.95Å; L291-L309 HydrophobicContact CD1-CG 4.21Å; L291-L309 HydrophobicContact CG-CD2 4.5Å; L294-L309 HydrophobicContact CD1-CD2 3.73Å; L294-L309 HydrophobicContact CG-CD2 4.37Å; E305-L309 PolarHBondContact O-N 3.39Å; L306-L309 PolarHBondContact O-N 3.25Å; L306-L309 VanDerWaalsContact O-N 3.15Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 3.04Å; L309-S312 PolarHBondContact O-N 2.89Å; L309-V313 HydrophobicContact CD1-CG2 4.16Å; L309-V313 HydrophobicContact CG-CG2 4.4Å; L309-V313 WeakPolarHBondContact O-CG2 3.14Å; L309-V313 PolarHBondContact O-N 2.95Å |
| 310 | C | 92.9 | Very high | 83.4 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54 | -48.1 | 173.4 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | L306 T307 V313 L314 F387 L659 | L306-C310 PolarHBondContact O-N 3.31Å; L306-C310 PolarHBondContact O-SG 3.1Å; L306-C310 VanDerWaalsContact O-SG 3.32Å; T307-C310 PolarHBondContact O-N 2.85Å; C310-V313 PolarHBondContact O-N 3.36Å; C310-L314 WeakPolarHBondContact O-CB 3.49Å; C310-L314 WeakPolarHBondContact O-CD1 3.33Å; C310-L314 VanDerWaalsContact O-CG 3.25Å; C310-L314 WeakPolarHBondContact O-CG 3.3Å; C310-L314 PolarHBondContact O-N 3Å; C310-F387 HydrophobicContact CB-CB 4.49Å; C310-F387 HydrophobicContact CB-CD2 3.89Å; C310-L659 HydrophobicContact CB-CD1 4.34Å; C310-L659 HydrophobicContact CB-CD2 4.04Å |
| 311 | Q | 89.6 | Confident | 84.4 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 176.2 | 176.1 | 156.9 | 13.4 | 0 | 0 | 112.1 | T307 L309 V313 L314 E315 L659 | T307-Q311 PolarHBondContact O-N 2.63Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 3.04Å; Q311-V313 VanDerWaalsContact C-N 3.32Å; Q311-V313 PolarHBondContact O-N 3.06Å; Q311-L314 PolarHBondContact O-N 3.25Å; Q311-E315 HydrophobicContact CG-CG 4.31Å; Q311-E315 VanDerWaalsContact CG-OE1 3.3Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.3Å; Q311-E315 PolarHBondContact NE2-OE1 3Å; Q311-E315 WeakPolarHBondContact O-CG 3.25Å; Q311-E315 PolarHBondContact O-N 3.02Å; Q311-L659 HydrophobicContact CB-CD2 4.06Å |
| 312 | S | 90.5 | Very high | 85.1 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 179.7 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | S308 L309 D316 | S308-S312 PolarHBondContact O-N 3.21Å; S308-S312 VanDerWaalsContact O-N 3.09Å; L309-S312 PolarHBondContact O-N 2.89Å; S312-D316 WeakPolarHBondContact O-CB 3.16Å; S312-D316 VanDerWaalsContact O-CG 3.3Å; S312-D316 PolarHBondContact O-N 3.39Å |
| 313 | V | 94.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -38.6 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | F288 L291 L309 C310 Q311 F317 F387 | F288-V313 HydrophobicContact CB-CG1 4.27Å; F288-V313 HydrophobicContact CD2-CG1 4.39Å; L291-V313 HydrophobicContact CD2-CB 4.33Å; L291-V313 HydrophobicContact CD2-CG1 4.41Å; L291-V313 HydrophobicContact CD2-CG2 4.24Å; L309-V313 HydrophobicContact CD1-CG2 4.16Å; L309-V313 HydrophobicContact CG-CG2 4.4Å; L309-V313 WeakPolarHBondContact O-CG2 3.14Å; L309-V313 PolarHBondContact O-N 2.95Å; C310-V313 PolarHBondContact O-N 3.36Å; Q311-V313 VanDerWaalsContact C-N 3.32Å; Q311-V313 PolarHBondContact O-N 3.06Å; V313-F317 WeakPolarHBondContact O-CB 3.29Å; V313-F317 PolarHBondContact O-N 2.72Å; V313-F387 HydrophobicContact CB-CE2 4.07Å; V313-F387 HydrophobicContact CG1-CE2 3.8Å; V313-F387 HydrophobicContact CG1-CZ 3.79Å |
| 314 | L | 92.1 | Very high | 86.3 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.2 | -36.6 | 177.9 | -71.4 | 165.9 | 0 | 0 | 0 | 113 | C310 Q311 N318 F387 A390 L391 H394 L659 | C310-L314 WeakPolarHBondContact O-CB 3.49Å; C310-L314 WeakPolarHBondContact O-CD1 3.33Å; C310-L314 VanDerWaalsContact O-CG 3.25Å; C310-L314 WeakPolarHBondContact O-CG 3.3Å; C310-L314 PolarHBondContact O-N 3Å; Q311-L314 PolarHBondContact O-N 3.25Å; L314-N318 VanDerWaalsContact O-CB 3.29Å; L314-N318 WeakPolarHBondContact O-CB 3.42Å; L314-N318 PolarHBondContact O-N 3.18Å; L314-F387 HydrophobicContact CD1-CD2 3.97Å; L314-F387 HydrophobicContact CD1-CE2 4.38Å; L314-F387 HydrophobicContact CD2-CD2 4.14Å; L314-F387 HydrophobicContact CD2-CE2 3.93Å; L314-F387 HydrophobicContact CG-CD2 3.86Å; L314-F387 HydrophobicContact CG-CE2 3.76Å; L314-A390 HydrophobicContact CD1-CB 3.58Å; L314-A390 HydrophobicContact CD2-CB 4.06Å; L314-A390 HydrophobicContact CG-CB 4.48Å; L314-L391 HydrophobicContact CD2-CB 3.9Å; L314-L391 HydrophobicContact CD2-CD1 4.12Å; L314-H394 PolarHBondContact O-ND1 3.48Å; L314-L659 HydrophobicContact CD1-CB 4.2Å; L314-L659 HydrophobicContact CD1-CD1 4.26Å; L314-L659 HydrophobicContact CD1-CD2 4.15Å; L314-L659 HydrophobicContact CD1-CG 4.43Å |
| 315 | E | 86.8 | Confident | 86.1 | Confident | 98 Ų | 98 | 37.6 Ų | 37.6 | 46% | 0.458 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.8 | -46.6 | 174.7 | -73.3 | 176 | -178.5 | 0 | 0 | 111.2 | Q311 N318 L319 | Q311-E315 HydrophobicContact CG-CG 4.31Å; Q311-E315 VanDerWaalsContact CG-OE1 3.3Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.3Å; Q311-E315 PolarHBondContact NE2-OE1 3Å; Q311-E315 WeakPolarHBondContact O-CG 3.25Å; Q311-E315 PolarHBondContact O-N 3.02Å; E315-N318 PolarHBondContact O-N 3.42Å; E315-L319 PolarHBondContact O-N 3.4Å |
| 316 | D | 87.9 | Confident | 84.9 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 176.4 | -74.6 | -27.1 | 0 | 0 | 0 | 112.3 | R283 V284 S312 L319 V320 | R283-D316 WeakPolarHBondContact CD-OD2 3.45Å; R283-D316 WeakPolarHBondContact CG-OD2 3.43Å; R283-D316 IonicContact CZ-OD1 2.68Å; R283-D316 VanDerWaalsContact CZ-OD1 3.22Å; R283-D316 IonicContact CZ-OD2 3.78Å; R283-D316 IonicContact NE-OD1 2.77Å; R283-D316 PolarHBondContact NE-OD1 3.48Å; R283-D316 IonicContact NE-OD2 3.16Å; R283-D316 PolarHBondContact NE-OD2 2.95Å; R283-D316 IonicContact NH2-OD1 2.7Å; R283-D316 PolarHBondContact NH2-OD1 3.21Å; R283-D316 IonicContact NH2-OD2 2.81Å; V284-D316 HydrophobicContact CB-CB 3.92Å; V284-D316 HydrophobicContact CG2-CB 4.02Å; S312-D316 WeakPolarHBondContact O-CB 3.16Å; S312-D316 VanDerWaalsContact O-CG 3.3Å; S312-D316 PolarHBondContact O-N 3.39Å; D316-L319 PolarHBondContact O-N 3.23Å; D316-V320 VanDerWaalsContact O-CG2 3.3Å; D316-V320 WeakPolarHBondContact O-CG2 3.37Å; D316-V320 PolarHBondContact O-N 2.87Å |
| 317 | F | 91.8 | Very high | 82.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 176 | -178 | -103.8 | 0 | 0 | 0 | 111.7 | V284 V313 L319 V320 L321 L354 I359 M362 L391 | V284-F317 HydrophobicContact CG2-CB 3.87Å; V284-F317 HydrophobicContact CG2-CD2 4.47Å; V313-F317 WeakPolarHBondContact O-CB 3.29Å; V313-F317 PolarHBondContact O-N 2.72Å; F317-L319 VanDerWaalsContact C-N 3.34Å; F317-L319 PolarHBondContact O-N 3.35Å; F317-V320 PolarHBondContact O-N 2.75Å; F317-L321 HydrophobicContact CD1-CD1 4.02Å; F317-L321 HydrophobicContact CD1-CG 4.42Å; F317-L321 HydrophobicContact CE1-CD1 3.56Å; F317-L321 HydrophobicContact CE1-CG 4.14Å; F317-L321 HydrophobicContact CE2-CD2 4.44Å; F317-L321 HydrophobicContact CZ-CD1 3.98Å; F317-L321 HydrophobicContact CZ-CD2 4.15Å; F317-L321 HydrophobicContact CZ-CG 4.21Å; F317-L321 WeakPolarHBondContact O-CG 3.43Å; F317-L321 PolarHBondContact O-N 2.97Å; F317-L354 HydrophobicContact CD2-CD1 4.32Å; F317-L354 HydrophobicContact CE2-CD1 4.34Å; F317-I359 HydrophobicContact CE2-CG1 4.41Å; F317-I359 HydrophobicContact CZ-CG2 4.14Å; F317-M362 HydrophobicContact CD2-CE 4.2Å; F317-M362 HydrophobicContact CE2-CE 4.17Å; F317-L391 HydrophobicContact CD1-CD1 3.46Å; F317-L391 VanDerWaalsContact CD1-CD1 3.46Å; F317-L391 HydrophobicContact CD2-CD1 4.28Å; F317-L391 HydrophobicContact CE1-CD1 3.49Å; F317-L391 VanDerWaalsContact CE1-CD1 3.49Å; F317-L391 HydrophobicContact CE1-CG 4.34Å; F317-L391 HydrophobicContact CE2-CD1 4.32Å; F317-L391 HydrophobicContact CG-CD1 3.87Å; F317-L391 HydrophobicContact CZ-CD1 3.95Å |
| 318 | N | 87.1 | Confident | 80.3 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.9 | -175.8 | 80.7 | 0 | 0 | 0 | 112 | L314 E315 F322 | L314-N318 VanDerWaalsContact O-CB 3.29Å; L314-N318 WeakPolarHBondContact O-CB 3.42Å; L314-N318 PolarHBondContact O-N 3.18Å; E315-N318 PolarHBondContact O-N 3.42Å; N318-F322 WeakPolarHBondContact O-CD2 3.42Å |
| 319 | L | 86 | Confident | 77.8 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 38% | 0.382 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.6 | -49.9 | 173.9 | 171.4 | 63.5 | 0 | 0 | 0 | 111.8 | E315 D316 F317 L321 F322 Y323 | E315-L319 PolarHBondContact O-N 3.4Å; D316-L319 PolarHBondContact O-N 3.23Å; F317-L319 VanDerWaalsContact C-N 3.34Å; F317-L319 PolarHBondContact O-N 3.35Å; L319-L321 PolarHBondContact O-N 3.12Å; L319-F322 PolarHBondContact O-N 2.9Å; L319-Y323 HydrophobicContact CD1-CE1 4.46Å |
| 320 | V | 88.8 | Confident | 75 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.8 | -30.6 | -172.5 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | D280 I281 V284 D316 F317 F322 Y323 L354 | D280-V320 HydrophobicContact CB-CG2 4Å; I281-V320 HydrophobicContact CD1-CG1 4.41Å; I281-V320 HydrophobicContact CG1-CG1 3.51Å; I281-V320 HydrophobicContact CG1-CG2 4.33Å; V284-V320 HydrophobicContact CG1-CB 4.49Å; V284-V320 HydrophobicContact CG1-CG2 4.15Å; D316-V320 VanDerWaalsContact O-CG2 3.3Å; D316-V320 WeakPolarHBondContact O-CG2 3.37Å; D316-V320 PolarHBondContact O-N 2.87Å; F317-V320 PolarHBondContact O-N 2.75Å; V320-F322 PolarHBondContact O-N 2.86Å; V320-Y323 HydrophobicContact CB-CD2 4.45Å; V320-Y323 HydrophobicContact CB-CE2 4.37Å; V320-Y323 HydrophobicContact CG1-CD2 4.16Å; V320-Y323 HydrophobicContact CG1-CE2 4.41Å; V320-Y323 HydrophobicContact CG2-CE2 3.98Å; V320-Y323 WeakPolarHBondContact O-CB 3.18Å; V320-Y323 PolarHBondContact O-N 3.49Å; V320-Y323 VanDerWaalsContact O-N 3.11Å; V320-L354 HydrophobicContact CB-CD1 4.31Å; V320-L354 HydrophobicContact CG1-CD1 3.49Å; V320-L354 VanDerWaalsContact CG1-CD1 3.49Å; V320-L354 HydrophobicContact CG1-CD2 4.48Å; V320-L354 HydrophobicContact CG1-CG 3.55Å |
| 321 | L | 86.4 | Confident | 72 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.5 | -28.6 | 173.3 | -74.6 | -178.5 | 0 | 0 | 0 | 113.1 | F317 L319 Y323 I359 H398 | F317-L321 HydrophobicContact CD1-CD1 4.02Å; F317-L321 HydrophobicContact CD1-CG 4.42Å; F317-L321 HydrophobicContact CE1-CD1 3.56Å; F317-L321 HydrophobicContact CE1-CG 4.14Å; F317-L321 HydrophobicContact CE2-CD2 4.44Å; F317-L321 HydrophobicContact CZ-CD1 3.98Å; F317-L321 HydrophobicContact CZ-CD2 4.15Å; F317-L321 HydrophobicContact CZ-CG 4.21Å; F317-L321 WeakPolarHBondContact O-CG 3.43Å; F317-L321 PolarHBondContact O-N 2.97Å; L319-L321 PolarHBondContact O-N 3.12Å; L321-Y323 PolarHBondContact O-N 3.28Å; L321-I359 HydrophobicContact CD2-CD1 3.62Å; L321-H398 HydrophobicContact CD1-CB 3.88Å; L321-H398 PolarHBondContact O-CE1 2.9Å; L321-H398 PolarHBondContact O-NE2 3.09Å |
| 322 | F | 83.7 | Confident | 69.2 | Low | 36 Ų | 36 | 59.4 Ų | 59.4 | 16% | 0.158 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.1 | 177.5 | -72.8 | -73.6 | 0 | 0 | 0 | 114.5 | N318 L319 V320 L324 I401 N919 | N318-F322 WeakPolarHBondContact O-CD2 3.42Å; L319-F322 PolarHBondContact O-N 2.9Å; V320-F322 PolarHBondContact O-N 2.86Å; F322-L324 PolarHBondContact O-N 3.49Å; F322-I401 HydrophobicContact CE1-CD1 3.93Å; F322-I401 HydrophobicContact CE1-CG2 4.37Å; F322-I401 HydrophobicContact CZ-CD1 3.84Å; F322-N919 HydrophobicContact CE1-CB 4.09Å; F322-N919 HydrophobicContact CZ-CB 4.19Å |
| 323 | Y | 83.3 | Confident | 66.4 | Low | 31 Ų | 31 | 63 Ų | 63 | 12% | 0.122 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 117.1 | 172.2 | -60.6 | -21.5 | 0 | 0 | 0 | 110.5 | R277 D280 I281 L319 V320 L321 V353 | R277-Y323 HydrophobicContact CB-CD2 3.94Å; R277-Y323 HydrophobicContact CB-CE2 3.73Å; R277-Y323 HydrophobicContact CG-CD1 4.14Å; R277-Y323 HydrophobicContact CG-CD2 3.89Å; R277-Y323 HydrophobicContact CG-CE1 4.06Å; R277-Y323 HydrophobicContact CG-CE2 3.79Å; R277-Y323 HydrophobicContact CG-CG 4.08Å; D280-Y323 HydrophobicContact CB-CE2 4.19Å; D280-Y323 WeakPolarHBondContact CB-OH 3.3Å; D280-Y323 PolarHBondContact OD2-OH 2.98Å; I281-Y323 HydrophobicContact CD1-CD2 4.3Å; I281-Y323 HydrophobicContact CG1-CD2 4.43Å; L319-Y323 HydrophobicContact CD1-CE1 4.46Å; V320-Y323 HydrophobicContact CB-CD2 4.45Å; V320-Y323 HydrophobicContact CB-CE2 4.37Å; V320-Y323 HydrophobicContact CG1-CD2 4.16Å; V320-Y323 HydrophobicContact CG1-CE2 4.41Å; V320-Y323 HydrophobicContact CG2-CE2 3.98Å; V320-Y323 WeakPolarHBondContact O-CB 3.18Å; V320-Y323 PolarHBondContact O-N 3.49Å; V320-Y323 VanDerWaalsContact O-N 3.11Å; L321-Y323 PolarHBondContact O-N 3.28Å; Y323-V353 WeakPolarHBondContact O-CG1 3.26Å; Y323-V353 VanDerWaalsContact O-CG2 3.29Å; Y323-V353 WeakPolarHBondContact O-CG2 3.41Å |
| 324 | L | 69.5 | Low | 63.5 | Low | 81 Ų | 81 | 68.6 Ų | 68.6 | 42% | 0.424 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 151.9 | 170.7 | -61.7 | 176.2 | 0 | 0 | 0 | 110.7 | R277 F322 | R277-L324 PolarHBondContact NH1-O 3.16Å; F322-L324 PolarHBondContact O-N 3.49Å |
| 325 | P | 65.9 | Low | 60.4 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 154.3 | 166 | -22.6 | 34.2 | 0 | 0 | 0 | 110.8 | V353 | P325-V353 HydrophobicContact CG-CG2 4.21Š|
| 326 | A | 53.2 | Low | 57.7 | Low | 77 Ų | 77 | 73 Ų | 73 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -68 | 137.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | T328 | A326-T328 PolarHBondContact O-N 2.67Š|
| 327 | P | 42.4 | Very low | 55.2 | Low | 100 Ų | 100 | 75.5 Ų | 75.5 | 65% | 0.649 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 120.9 | 176.1 | 25.9 | -33.2 | 0 | 0 | 0 | 109.6 | H329 | P327-H329 VanDerWaalsContact C-N 3.26Å; P327-H329 PolarHBondContact O-N 3Å |
| 328 | T | 35.5 | Very low | 52.5 | Low | 140 Ų | 140 | 83.5 Ų | 83.5 | 86% | 0.859 | 54% | 0.537 | S | S | * | . | trans | -77 | 77.3 | 177.6 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | A326 G330 | A326-T328 PolarHBondContact O-N 2.67Å; T328-G330 PolarHBondContact O-N 3.12Å | ||
| 329 | H | 34.8 | Very low | 50 | Low | 160 Ų | 160 | 88.4 Ų | 88.4 | 74% | 0.741 | 56% | 0.558 | S | S | * | * | trans | -56.5 | 133.9 | 161.9 | -65.8 | -79.3 | 0 | 0 | 0 | 108.6 | P327 G331 | P327-H329 VanDerWaalsContact C-N 3.26Å; P327-H329 PolarHBondContact O-N 3Å; H329-G331 PolarHBondContact O-N 2.79Å | ||
| 330 | G | 32.9 | Very low | 47.6 | Very low | 93 Ų | 93 | 90.2 Ų | 90.2 | 96% | 0.959 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -71.7 | 37 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | T328 | T328-G330 PolarHBondContact O-N 3.12Š|
| 331 | G | 29.4 | Very low | 44.9 | Very low | 62 Ų | 62 | 96.3 Ų | 96.3 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -81.6 | 157.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H329 | H329-G331 PolarHBondContact O-N 2.79Š|
| 332 | A | 30 | Very low | 42.4 | Very low | 91 Ų | 91 | 103.4 Ų | 103.4 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 153.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 333 | P | 32.5 | Very low | 40 | Very low | 117 Ų | 117 | 107.7 Ų | 107.7 | 76% | 0.76 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 138 | 173.7 | -23.3 | 33.5 | 0 | 0 | 0 | 110.8 | C335 | P333-C335 PolarHBondContact O-N 3.03Š|
| 334 | P | 34.3 | Very low | 37.6 | Very low | 120 Ų | 120 | 111.5 Ų | 111.5 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 137.5 | 165.8 | -20.6 | 32.3 | 0 | 0 | 0 | 109.3 | ||
| 335 | C | 25.1 | Very low | 35.8 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 133.2 | 164.4 | -68.7 | 0 | 0 | 0 | 0 | 108.3 | P333 S337 | P333-C335 PolarHBondContact O-N 3.03Å; C335-S337 PolarHBondContact O-N 2.76Å |
| 336 | P | 30.8 | Very low | 34.3 | Very low | 73 Ų | 73 | 117 Ų | 117 | 47% | 0.474 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 140.1 | 172.9 | 26.5 | -33.5 | 0 | 0 | 0 | 109.3 | E340 | P336-E340 HydrophobicContact CB-CB 4.18Š|
| 337 | S | 36.2 | Very low | 33.5 | Very low | 68 Ų | 68 | 118 Ų | 118 | 48% | 0.476 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 153.3 | 166.6 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | C335 E339 E340 | C335-S337 PolarHBondContact O-N 2.76Å; S337-E339 PolarHBondContact O-N 3.43Å; S337-E340 WeakPolarHBondContact O-CB 3.29Å; S337-E340 PolarHBondContact O-N 3.42Å |
| 338 | E | 33.6 | Very low | 33.4 | Very low | 171 Ų | 171 | 116.7 Ų | 116.7 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -55.3 | -29.1 | -176.8 | -61.8 | 174.3 | 153.4 | 0 | 0 | 112.8 | E340 E341 | E338-E340 PolarHBondContact O-N 3.49Å; E338-E341 PolarHBondContact O-N 2.84Å |
| 339 | E | 35 | Very low | 34 | Very low | 148 Ų | 148 | 113.4 Ų | 113.4 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.9 | -21.3 | 172.3 | -67.3 | -173.3 | -163.3 | 0 | 0 | 115.2 | S337 Q343 | S337-E339 PolarHBondContact O-N 3.43Å; E339-Q343 PolarHBondContact O-NE2 2.71Å |
| 340 | E | 35.5 | Very low | 35 | Very low | 110 Ų | 110 | 109.7 Ų | 109.7 | 51% | 0.514 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -89.5 | -29.6 | 178.5 | -63.9 | -168.3 | 131.5 | 0 | 0 | 112.5 | P336 S337 E338 Q343 T344 | P336-E340 HydrophobicContact CB-CB 4.18Å; S337-E340 WeakPolarHBondContact O-CB 3.29Å; S337-E340 PolarHBondContact O-N 3.42Å; E338-E340 PolarHBondContact O-N 3.49Å; E340-Q343 PolarHBondContact O-N 2.78Å; E340-T344 WeakPolarHBondContact O-CB 3.36Å; E340-T344 PolarHBondContact O-N 3.1Å; E340-T344 PolarHBondContact O-OG1 2.67Å |
| 341 | E | 32.9 | Very low | 36.6 | Very low | 129 Ų | 129 | 109 Ų | 109 | 60% | 0.603 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.3 | -38.3 | 179.3 | -67.6 | -156.6 | 134.5 | 0 | 0 | 112.2 | E338 Q343 T344 | E338-E341 PolarHBondContact O-N 2.84Å; E341-Q343 PolarHBondContact O-N 3.18Å; E341-T344 PolarHBondContact O-N 3.41Å |
| 342 | E | 33.1 | Very low | 38.7 | Very low | 160 Ų | 160 | 109.5 Ų | 109.5 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.6 | -34.6 | 175.5 | -65.4 | -159.3 | 140.1 | 0 | 0 | 112.7 | ||
| 343 | Q | 34.9 | Very low | 41.4 | Very low | 126 Ų | 126 | 106.2 Ų | 106.2 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.9 | -21.3 | 177.5 | -74.9 | 171.4 | 61.5 | 0 | 0 | 113.1 | E339 E340 E341 Q345 H346 | E339-Q343 PolarHBondContact O-NE2 2.71Å; E340-Q343 PolarHBondContact O-N 2.78Å; E341-Q343 PolarHBondContact O-N 3.18Å; Q343-Q345 PolarHBondContact O-N 3.05Å; Q343-H346 PolarHBondContact O-N 2.65Å |
| 344 | T | 30.9 | Very low | 44.1 | Very low | 111 Ų | 111 | 100.9 Ų | 100.9 | 68% | 0.681 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -13.3 | 179.5 | -61.5 | 0 | 0 | 0 | 0 | 113.2 | E340 E341 H346 | E340-T344 WeakPolarHBondContact O-CB 3.36Å; E340-T344 PolarHBondContact O-N 3.1Å; E340-T344 PolarHBondContact O-OG1 2.67Å; E341-T344 PolarHBondContact O-N 3.41Å; T344-H346 VanDerWaalsContact C-N 3.25Å; T344-H346 PolarHBondContact O-N 3.19Å |
| 345 | Q | 32 | Very low | 46.9 | Very low | 166 Ų | 166 | 97.4 Ų | 97.4 | 78% | 0.776 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7.2 | 177.5 | -59.2 | -169.3 | 32.2 | 0 | 0 | 114.2 | Q343 | Q343-Q345 PolarHBondContact O-N 3.05Š|
| 346 | H | 35.6 | Very low | 50.1 | Low | 116 Ų | 116 | 93.4 Ų | 93.4 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -103.2 | 127.4 | 169.9 | -71.2 | -47.9 | 0 | 0 | 0 | 111.4 | Q343 T344 D348 | Q343-H346 PolarHBondContact O-N 2.65Å; T344-H346 VanDerWaalsContact C-N 3.25Å; T344-H346 PolarHBondContact O-N 3.19Å; H346-D348 PolarHBondContact O-N 3.45Å |
| 347 | S | 35.9 | Very low | 53.1 | Low | 99 Ų | 99 | 94 Ų | 94 | 69% | 0.692 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -68.9 | 13.3 | -170.1 | 62.9 | 0 | 0 | 0 | 0 | 116.6 | S349 | S347-S349 PolarHBondContact O-N 2.98Š|
| 348 | D | 41.1 | Very low | 55.9 | Low | 72 Ų | 72 | 91 Ų | 91 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | trans | -77.5 | 70 | 173.7 | -107.3 | 22.6 | 0 | 0 | 0 | 109 | Y224 K282 H346 S350 | Y224-D348 WeakPolarHBondContact CE1-OD1 3.47Å; Y224-D348 WeakPolarHBondContact CE1-OD2 3.31Å; Y224-D348 PolarHBondContact OH-OD2 2.88Å; Y224-D348 VanDerWaalsContact OH-OD2 3.05Å; K282-D348 IonicContact NZ-OD2 2.68Å; K282-D348 PolarHBondContact NZ-OD2 2.99Å; H346-D348 PolarHBondContact O-N 3.45Å; D348-S350 PolarHBondContact O-N 3.01Å; D348-S350 VanDerWaalsContact O-N 3.08Å | ||
| 349 | S | 46.8 | Very low | 58.9 | Low | 71 Ų | 71 | 83 Ų | 83 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | trans | -53.5 | 119.2 | 175.7 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | S347 Y351 | S347-S349 PolarHBondContact O-N 2.98Å; S349-Y351 WeakPolarHBondContact O-CD2 3.37Å; S349-Y351 WeakPolarHBondContact O-CE2 3.41Å; S349-Y351 PolarHBondContact O-N 2.83Å | ||
| 350 | S | 56.5 | Low | 61.9 | Low | 81 Ų | 81 | 76.4 Ų | 76.4 | 57% | 0.566 | 41% | 0.408 | S | S | * | . | trans | -82 | 61.9 | -168.5 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | S278 D348 | S278-S350 PolarHBondContact OG-OG 3.05Å; D348-S350 PolarHBondContact O-N 3.01Å; D348-S350 VanDerWaalsContact O-N 3.08Å | ||
| 351 | Y | 66.3 | Low | 64.9 | Low | 78 Ų | 78 | 71.5 Ų | 71.5 | 31% | 0.306 | 39% | 0.385 | S | S | . | . | trans | -51.2 | 124.6 | -179 | -61.3 | -77.9 | 0 | 0 | 0 | 111.5 | F223 I281 S349 V353 | F223-Y351 AromaticContact CD1-CD2 3.78Å; F223-Y351 HydrophobicContact CD1-CD2 3.78Å; F223-Y351 AromaticContact CD1-CE2 3.83Å; F223-Y351 HydrophobicContact CD1-CE2 3.83Å; F223-Y351 HydrophobicContact CD1-CG 4.45Å; F223-Y351 AromaticContact CE1-CD1 3.96Å; F223-Y351 HydrophobicContact CE1-CD1 3.96Å; F223-Y351 AromaticContact CE1-CD2 3.3Å; F223-Y351 HydrophobicContact CE1-CD2 3.3Å; F223-Y351 AromaticContact CE1-CE1 3.97Å; F223-Y351 HydrophobicContact CE1-CE1 3.97Å; F223-Y351 AromaticContact CE1-CE2 3.31Å; F223-Y351 HydrophobicContact CE1-CE2 3.31Å; F223-Y351 AromaticContact CE1-CG 3.64Å; F223-Y351 HydrophobicContact CE1-CG 3.64Å; F223-Y351 AromaticContact CE1-CZ 3.67Å; F223-Y351 HydrophobicContact CE2-CE2 4.46Å; F223-Y351 HydrophobicContact CZ-CD1 4.25Å; F223-Y351 HydrophobicContact CZ-CD2 4.09Å; F223-Y351 AromaticContact CZ-CE1 3.86Å; F223-Y351 HydrophobicContact CZ-CE1 3.86Å; F223-Y351 AromaticContact CZ-CE2 3.67Å; F223-Y351 HydrophobicContact CZ-CE2 3.67Å; F223-Y351 HydrophobicContact CZ-CG 4.37Å; F223-Y351 AromaticContact CZ-CZ 3.55Å; I281-Y351 WeakPolarHBondContact CD1-O 3.25Å; S349-Y351 WeakPolarHBondContact O-CD2 3.37Å; S349-Y351 WeakPolarHBondContact O-CE2 3.41Å; S349-Y351 PolarHBondContact O-N 2.83Å; Y351-V353 VanDerWaalsContact C-N 3.29Å; Y351-V353 PolarHBondContact O-N 2.94Å | ||
| 352 | P | 72.8 | Confident | 68 | Low | 73 Ų | 73 | 65.4 Ų | 65.4 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -77.8 | -12.9 | -175.2 | 30.2 | -35.8 | 0 | 0 | 0 | 114 | ||
| 353 | V | 86.6 | Confident | 71.1 | Confident | 22 Ų | 22 | 58 Ų | 58 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -150.4 | 155.3 | -175.8 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | Y323 P325 Y351 | Y323-V353 WeakPolarHBondContact O-CG1 3.26Å; Y323-V353 VanDerWaalsContact O-CG2 3.29Å; Y323-V353 WeakPolarHBondContact O-CG2 3.41Å; P325-V353 HydrophobicContact CG-CG2 4.21Å; Y351-V353 VanDerWaalsContact C-N 3.29Å; Y351-V353 PolarHBondContact O-N 2.94Å |
| 354 | L | 90 | Very high | 74.1 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -76.3 | 126.2 | 169.1 | -67.2 | 174.3 | 0 | 0 | 0 | 111 | I281 V284 L285 F317 V320 L358 I359 | I281-L354 HydrophobicContact CG2-CD2 4.07Å; V284-L354 HydrophobicContact CG1-CD1 4.36Å; L285-L354 HydrophobicContact CD1-CD2 3.97Å; L285-L354 HydrophobicContact CD2-CD2 3.93Å; L285-L354 HydrophobicContact CG-CD2 4.07Å; F317-L354 HydrophobicContact CD2-CD1 4.32Å; F317-L354 HydrophobicContact CE2-CD1 4.34Å; V320-L354 HydrophobicContact CB-CD1 4.31Å; V320-L354 HydrophobicContact CG1-CD1 3.49Å; V320-L354 VanDerWaalsContact CG1-CD1 3.49Å; V320-L354 HydrophobicContact CG1-CD2 4.48Å; V320-L354 HydrophobicContact CG1-CG 3.55Å; L354-L358 HydrophobicContact CD2-CD2 3.92Å; L354-I359 HydrophobicContact CB-CD1 4.14Å; L354-I359 HydrophobicContact CB-CG1 4.3Å | ||
| 355 | P | 92.5 | Very high | 77.3 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 31% | 0.312 | 26% | 0.261 | S | S | . | . | trans | -69.8 | 142.7 | 175.7 | -20.6 | 33.5 | 0 | 0 | 0 | 113.4 | F223 N357 L358 I359 | F223-P355 HydrophobicContact CE1-CG 3.99Å; F223-P355 HydrophobicContact CZ-CG 3.92Å; P355-N357 VanDerWaalsContact C-N 3.25Å; P355-N357 PolarHBondContact O-N 3Å; P355-L358 HydrophobicContact CB-CB 4.41Å; P355-L358 WeakPolarHBondContact O-CA 3.31Å; P355-L358 WeakPolarHBondContact O-CB 3.36Å; P355-L358 PolarHBondContact O-N 2.95Å; P355-I359 PolarHBondContact O-N 3.05Å; P355-I359 VanDerWaalsContact O-N 3.1Å | ||
| 356 | D | 93 | Very high | 80.5 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.1 | -37.4 | 177.6 | -71.5 | 24 | 0 | 0 | 0 | 112.9 | L358 I359 F360 R402 G750 L751 | D356-L358 PolarHBondContact O-N 3.3Å; D356-I359 WeakPolarHBondContact O-CB 3.27Å; D356-I359 PolarHBondContact O-N 3.24Å; D356-F360 PolarHBondContact O-N 3.09Å; D356-R402 IonicContact OD1-CZ 3.66Å; D356-R402 IonicContact OD1-NH1 3.45Å; D356-R402 PolarHBondContact OD1-NH1 2.98Å; D356-R402 IonicContact OD1-NH2 2.65Å; D356-R402 IonicContact OD2-NH1 2.81Å; D356-R402 PolarHBondContact OD2-NH1 3.5Å; D356-G750 WeakPolarHBondContact OD2-CA 3.18Å; D356-L751 HydrophobicContact CB-CD2 3.76Å; D356-L751 HydrophobicContact CB-CG 4.4Å; D356-L751 VanDerWaalsContact CG-CD2 3.5Å; D356-L751 WeakPolarHBondContact OD2-CG 3.41Å; D356-L751 PolarHBondContact OD2-N 3.34Å |
| 357 | N | 93.6 | Very high | 83.4 | Confident | 86 Ų | 86 | 33.3 Ų | 33.3 | 46% | 0.46 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.9 | -34.7 | 174.9 | -171.8 | 6.6 | 0 | 0 | 0 | 112.9 | P355 F360 K361 | P355-N357 VanDerWaalsContact C-N 3.25Å; P355-N357 PolarHBondContact O-N 3Å; N357-F360 WeakPolarHBondContact O-CB 3.25Å; N357-F360 PolarHBondContact O-N 3.31Å; N357-K361 WeakPolarHBondContact O-CG 3.47Å; N357-K361 PolarHBondContact O-N 3.32Å; N357-K361 VanDerWaalsContact OD1-CE 3.28Å; N357-K361 WeakPolarHBondContact OD1-CE 3.44Å |
| 358 | L | 96 | Very high | 86.4 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.7 | -40.2 | 173.8 | -178.4 | 67.9 | 0 | 0 | 0 | 110.6 | F223 V226 L285 L354 P355 D356 F360 K361 M362 | F223-L358 HydrophobicContact CB-CD1 3.76Å; F223-L358 HydrophobicContact CB-CD2 3.78Å; F223-L358 HydrophobicContact CB-CG 4.44Å; F223-L358 HydrophobicContact CD1-CD2 3.46Å; F223-L358 VanDerWaalsContact CD1-CD2 3.46Å; F223-L358 HydrophobicContact CD2-CD1 3.89Å; F223-L358 HydrophobicContact CD2-CD2 4.23Å; F223-L358 HydrophobicContact CE1-CD2 4.05Å; F223-L358 HydrophobicContact CG-CD1 3.82Å; F223-L358 HydrophobicContact CG-CD2 3.55Å; F223-L358 HydrophobicContact CG-CG 4.28Å; V226-L358 HydrophobicContact CB-CD1 4.18Å; V226-L358 HydrophobicContact CG1-CD1 3.74Å; L285-L358 HydrophobicContact CD1-CD2 4.47Å; L285-L358 HydrophobicContact CD2-CD2 3.95Å; L354-L358 HydrophobicContact CD2-CD2 3.92Å; P355-L358 HydrophobicContact CB-CB 4.41Å; P355-L358 WeakPolarHBondContact O-CA 3.31Å; P355-L358 WeakPolarHBondContact O-CB 3.36Å; P355-L358 PolarHBondContact O-N 2.95Å; D356-L358 PolarHBondContact O-N 3.3Å; L358-F360 VanDerWaalsContact C-N 3.34Å; L358-F360 PolarHBondContact O-N 3.47Å; L358-K361 PolarHBondContact O-N 3.16Å; L358-M362 HydrophobicContact CG-SD 4.31Å; L358-M362 WeakPolarHBondContact O-CG 3.49Å; L358-M362 PolarHBondContact O-N 2.87Å |
| 359 | I | 96.4 | Very high | 89 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.1 | -64.8 | 162.9 | 0 | 0 | 0 | 110.5 | F317 L321 L354 P355 D356 M362 V363 L395 L751 | F317-I359 HydrophobicContact CE2-CG1 4.41Å; F317-I359 HydrophobicContact CZ-CG2 4.14Å; L321-I359 HydrophobicContact CD2-CD1 3.62Å; L354-I359 HydrophobicContact CB-CD1 4.14Å; L354-I359 HydrophobicContact CB-CG1 4.3Å; P355-I359 PolarHBondContact O-N 3.05Å; P355-I359 VanDerWaalsContact O-N 3.1Å; D356-I359 WeakPolarHBondContact O-CB 3.27Å; D356-I359 PolarHBondContact O-N 3.24Å; I359-M362 PolarHBondContact O-N 2.84Å; I359-V363 WeakPolarHBondContact O-CG2 3.49Å; I359-V363 PolarHBondContact O-N 3.4Å; I359-L395 HydrophobicContact CG2-CD1 3.6Å; I359-L751 HydrophobicContact CB-CD2 4.17Å; I359-L751 HydrophobicContact CD1-CD2 4.03Å; I359-L751 HydrophobicContact CG2-CD2 4Å |
| 360 | F | 97.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.6 | -52 | 169.7 | 177.8 | -99 | 0 | 0 | 0 | 111.9 | D356 N357 L358 M362 V363 V364 Q753 V754 V757 E827 L831 | D356-F360 PolarHBondContact O-N 3.09Å; N357-F360 WeakPolarHBondContact O-CB 3.25Å; N357-F360 PolarHBondContact O-N 3.31Å; L358-F360 VanDerWaalsContact C-N 3.34Å; L358-F360 PolarHBondContact O-N 3.47Å; F360-M362 VanDerWaalsContact C-N 3.31Å; F360-M362 PolarHBondContact O-N 2.96Å; F360-V363 PolarHBondContact O-N 3.47Å; F360-V364 HydrophobicContact CE1-CG2 4.32Å; F360-V364 HydrophobicContact CE2-CG2 4.32Å; F360-V364 HydrophobicContact CZ-CG2 4.23Å; F360-V364 WeakPolarHBondContact O-CG2 3.47Å; F360-V364 PolarHBondContact O-N 3.22Å; F360-Q753 HydrophobicContact CD2-CG 3.83Å; F360-Q753 HydrophobicContact CE2-CG 4.24Å; F360-V754 HydrophobicContact CB-CG2 3.89Å; F360-V754 HydrophobicContact CD2-CG2 4.11Å; F360-V757 HydrophobicContact CE2-CG2 3.99Å; F360-E827 HydrophobicContact CE2-CB 4.02Å; F360-E827 HydrophobicContact CZ-CB 4.16Å; F360-L831 HydrophobicContact CE1-CD2 4.26Å; F360-L831 HydrophobicContact CE2-CD1 4.31Å; F360-L831 HydrophobicContact CZ-CD1 3.84Å; F360-L831 HydrophobicContact CZ-CD2 4.09Å; F360-L831 HydrophobicContact CZ-CG 3.97Å |
| 361 | K | 97.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 178.2 | -68.5 | 177.5 | -171.8 | -175.7 | 0 | 112.4 | E227 Y230 Y231 N357 L358 T365 | E227-K361 HydrophobicContact CG-CD 4.12Å; E227-K361 IonicContact OE1-NZ 2.81Å; E227-K361 PolarHBondContact OE1-NZ 3.14Å; Y230-K361 HydrophobicContact CD1-CB 4.15Å; Y230-K361 HydrophobicContact CD1-CD 3.84Å; Y230-K361 HydrophobicContact CD1-CG 3.75Å; Y230-K361 HydrophobicContact CD2-CB 3.98Å; Y230-K361 HydrophobicContact CD2-CG 4.21Å; Y230-K361 WeakPolarHBondContact CD2-O 3.45Å; Y230-K361 HydrophobicContact CE1-CD 4.13Å; Y230-K361 HydrophobicContact CE1-CG 3.88Å; Y230-K361 HydrophobicContact CE2-CB 4.49Å; Y230-K361 HydrophobicContact CE2-CG 4.34Å; Y230-K361 HydrophobicContact CG-CB 3.79Å; Y230-K361 HydrophobicContact CG-CD 4.36Å; Y230-K361 HydrophobicContact CG-CG 3.92Å; Y231-K361 PolarHBondContact OH-NZ 3.16Å; N357-K361 WeakPolarHBondContact O-CG 3.47Å; N357-K361 PolarHBondContact O-N 3.32Å; N357-K361 VanDerWaalsContact OD1-CE 3.28Å; N357-K361 WeakPolarHBondContact OD1-CE 3.44Å; L358-K361 PolarHBondContact O-N 3.16Å; K361-T365 VanDerWaalsContact O-CB 3.29Å; K361-T365 WeakPolarHBondContact O-CB 3.4Å; K361-T365 PolarHBondContact O-N 3.33Å; K361-T365 PolarHBondContact O-OG1 2.98Å |
| 362 | M | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 173.7 | -72.2 | 172.7 | 69.6 | 0 | 0 | 112.6 | V226 L285 F288 F317 L358 I359 F360 T365 C366 | V226-M362 HydrophobicContact CG1-CG 3.64Å; L285-M362 HydrophobicContact CD2-CE 4.47Å; L285-M362 HydrophobicContact CD2-SD 3.98Å; F288-M362 HydrophobicContact CB-CE 4.29Å; F288-M362 HydrophobicContact CD1-CE 4.13Å; F288-M362 HydrophobicContact CD1-CG 4.45Å; F288-M362 HydrophobicContact CD2-CE 3.66Å; F288-M362 HydrophobicContact CE1-CB 4.28Å; F288-M362 HydrophobicContact CE1-CE 4.39Å; F288-M362 HydrophobicContact CE1-CG 3.98Å; F288-M362 HydrophobicContact CE2-CB 4.23Å; F288-M362 HydrophobicContact CE2-CE 3.93Å; F288-M362 HydrophobicContact CG-CE 3.77Å; F288-M362 HydrophobicContact CZ-CB 3.82Å; F288-M362 HydrophobicContact CZ-CE 4.3Å; F288-M362 HydrophobicContact CZ-CG 4.02Å; F317-M362 HydrophobicContact CD2-CE 4.2Å; F317-M362 HydrophobicContact CE2-CE 4.17Å; L358-M362 HydrophobicContact CG-SD 4.31Å; L358-M362 WeakPolarHBondContact O-CG 3.49Å; L358-M362 PolarHBondContact O-N 2.87Å; I359-M362 PolarHBondContact O-N 2.84Å; F360-M362 VanDerWaalsContact C-N 3.31Å; F360-M362 PolarHBondContact O-N 2.96Å; M362-T365 WeakPolarHBondContact O-CB 3.44Å; M362-T365 PolarHBondContact O-N 2.89Å; M362-C366 PolarHBondContact O-N 3.01Å; M362-C366 VanDerWaalsContact O-N 3.11Å; M362-C366 PolarHBondContact O-SG 3.13Å |
| 363 | V | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 179.5 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | I359 F360 T365 C366 L367 L391 V754 F758 | I359-V363 WeakPolarHBondContact O-CG2 3.49Å; I359-V363 PolarHBondContact O-N 3.4Å; F360-V363 PolarHBondContact O-N 3.47Å; V363-T365 VanDerWaalsContact C-N 3.27Å; V363-T365 PolarHBondContact O-N 3.17Å; V363-C366 WeakPolarHBondContact O-CB 3.48Å; V363-C366 PolarHBondContact O-N 3.01Å; V363-L367 PolarHBondContact O-N 2.94Å; V363-L367 VanDerWaalsContact O-N 3.08Å; V363-L391 HydrophobicContact CG2-CD2 4.16Å; V363-V754 HydrophobicContact CB-CG1 3.77Å; V363-V754 HydrophobicContact CG1-CG1 3.85Å; V363-V754 HydrophobicContact CG2-CG1 3.75Å; V363-F758 HydrophobicContact CG1-CD2 3.71Å; V363-F758 HydrophobicContact CG1-CE2 4.26Å |
| 364 | V | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64 | -33.8 | 175.7 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | Y230 F360 C366 L367 M368 V757 L831 L834 | Y230-V364 HydrophobicContact CD2-CB 4.47Å; Y230-V364 HydrophobicContact CE2-CB 3.98Å; Y230-V364 HydrophobicContact CE2-CG1 3.8Å; F360-V364 HydrophobicContact CE1-CG2 4.32Å; F360-V364 HydrophobicContact CE2-CG2 4.32Å; F360-V364 HydrophobicContact CZ-CG2 4.23Å; F360-V364 WeakPolarHBondContact O-CG2 3.47Å; F360-V364 PolarHBondContact O-N 3.22Å; V364-C366 VanDerWaalsContact C-N 3.31Å; V364-C366 PolarHBondContact O-N 3.36Å; V364-L367 PolarHBondContact O-N 3.36Å; V364-M368 HydrophobicContact CG1-CE 4.38Å; V364-M368 HydrophobicContact CG1-CG 4.48Å; V364-M368 WeakPolarHBondContact O-CG 3.42Å; V364-M368 PolarHBondContact O-N 3.39Å; V364-V757 HydrophobicContact CG2-CG1 4.44Å; V364-L831 HydrophobicContact CG1-CD1 4.39Å; V364-L831 HydrophobicContact CG1-CD2 3.9Å; V364-L831 HydrophobicContact CG2-CD1 3.76Å; V364-L831 HydrophobicContact CG2-CD2 4.18Å; V364-L834 HydrophobicContact CG1-CD2 3.73Å |
| 365 | T | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -41.4 | 170.5 | -65.5 | 0 | 0 | 0 | 0 | 112 | T229 L233 F288 Q292 K361 M362 V363 M368 V369 | T229-T365 HydrophobicContact CG2-CG2 4.48Å; L233-T365 HydrophobicContact CD1-CG2 3.76Å; F288-T365 HydrophobicContact CE1-CG2 4.37Å; F288-T365 HydrophobicContact CZ-CG2 4.28Å; Q292-T365 HydrophobicContact CG-CG2 4.08Å; K361-T365 VanDerWaalsContact O-CB 3.29Å; K361-T365 WeakPolarHBondContact O-CB 3.4Å; K361-T365 PolarHBondContact O-N 3.33Å; K361-T365 PolarHBondContact O-OG1 2.98Å; M362-T365 WeakPolarHBondContact O-CB 3.44Å; M362-T365 PolarHBondContact O-N 2.89Å; V363-T365 VanDerWaalsContact C-N 3.27Å; V363-T365 PolarHBondContact O-N 3.17Å; T365-M368 PolarHBondContact O-N 2.92Å; T365-V369 WeakPolarHBondContact O-CG2 3.45Å; T365-V369 PolarHBondContact O-N 2.87Å |
| 366 | C | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | M362 V363 V364 M368 V369 V370 T388 | M362-C366 PolarHBondContact O-N 3.01Å; M362-C366 VanDerWaalsContact O-N 3.11Å; M362-C366 PolarHBondContact O-SG 3.13Å; V363-C366 WeakPolarHBondContact O-CB 3.48Å; V363-C366 PolarHBondContact O-N 3.01Å; V364-C366 VanDerWaalsContact C-N 3.31Å; V364-C366 PolarHBondContact O-N 3.36Å; C366-M368 PolarHBondContact O-N 3.05Å; C366-V369 PolarHBondContact O-N 3.25Å; C366-V370 WeakPolarHBondContact O-CG2 3.45Å; C366-V370 PolarHBondContact O-N 3.41Å; C366-T388 HydrophobicContact CB-CG2 3.81Å |
| 367 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.6 | -59.5 | -176.1 | 0 | 0 | 0 | 112.4 | V363 V364 V369 V370 H371 T388 V757 F758 W761 A836 L837 | V363-L367 PolarHBondContact O-N 2.94Å; V363-L367 VanDerWaalsContact O-N 3.08Å; V364-L367 PolarHBondContact O-N 3.36Å; L367-V369 VanDerWaalsContact C-N 3.32Å; L367-V369 PolarHBondContact O-N 3.01Å; L367-V370 PolarHBondContact O-N 3.35Å; L367-H371 WeakPolarHBondContact O-CB 3.31Å; L367-H371 PolarHBondContact O-N 3.3Å; L367-T388 HydrophobicContact CD2-CG2 4.05Å; L367-V757 HydrophobicContact CD1-CG1 4.1Å; L367-F758 HydrophobicContact CD2-CD2 4.3Å; L367-F758 HydrophobicContact CD2-CE2 4.03Å; L367-W761 HydrophobicContact CD1-CB 4.2Å; L367-W761 HydrophobicContact CD1-CG 4.28Å; L367-W761 HydrophobicContact CD2-CB 4.39Å; L367-W761 HydrophobicContact CD2-CD2 3.48Å; L367-W761 VanDerWaalsContact CD2-CD2 3.48Å; L367-W761 HydrophobicContact CD2-CE3 3.69Å; L367-W761 HydrophobicContact CD2-CG 3.78Å; L367-W761 HydrophobicContact CD2-CZ2 4.39Å; L367-W761 HydrophobicContact CD2-CZ3 4.23Å; L367-A836 HydrophobicContact CB-CB 4.3Å; L367-L837 HydrophobicContact CD1-CD2 4.39Å |
| 368 | M | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 173.9 | -74.6 | -168.5 | -66.3 | 0 | 0 | 112.5 | Y230 L233 R234 Q237 V364 T365 C366 S372 L834 | Y230-M368 HydrophobicContact CD2-CE 3.76Å; Y230-M368 HydrophobicContact CE2-CE 4.18Å; L233-M368 HydrophobicContact CB-CE 3.54Å; L233-M368 HydrophobicContact CB-SD 3.82Å; L233-M368 HydrophobicContact CD1-CE 4.28Å; R234-M368 HydrophobicContact CG-CE 4.34Å; R234-M368 HydrophobicContact CG-SD 4.13Å; Q237-M368 PolarHBondContact NE2-O 3.26Å; V364-M368 HydrophobicContact CG1-CE 4.38Å; V364-M368 HydrophobicContact CG1-CG 4.48Å; V364-M368 WeakPolarHBondContact O-CG 3.42Å; V364-M368 PolarHBondContact O-N 3.39Å; T365-M368 PolarHBondContact O-N 2.92Å; C366-M368 PolarHBondContact O-N 3.05Å; M368-S372 WeakPolarHBondContact O-CB 3.42Å; M368-S372 PolarHBondContact O-N 3.49Å; M368-S372 PolarHBondContact O-OG 2.81Å; M368-L834 HydrophobicContact CG-CD1 3.79Å; M368-L834 HydrophobicContact CG-CD2 4.38Å; M368-L834 HydrophobicContact SD-CD1 3.8Å |
| 369 | V | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.4 | -44.7 | 177.6 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | L295 T365 C366 L367 H371 S372 L373 | L295-V369 HydrophobicContact CB-CG1 3.73Å; L295-V369 HydrophobicContact CD1-CG1 4.41Å; L295-V369 WeakPolarHBondContact O-CG1 3.17Å; T365-V369 WeakPolarHBondContact O-CG2 3.45Å; T365-V369 PolarHBondContact O-N 2.87Å; C366-V369 PolarHBondContact O-N 3.25Å; L367-V369 VanDerWaalsContact C-N 3.32Å; L367-V369 PolarHBondContact O-N 3.01Å; V369-H371 VanDerWaalsContact C-N 3.31Å; V369-H371 PolarHBondContact O-N 3.3Å; V369-S372 WeakPolarHBondContact O-CB 3.41Å; V369-S372 PolarHBondContact O-N 3.34Å; V369-S372 VanDerWaalsContact O-N 3.13Å; V369-L373 HydrophobicContact CG1-CD1 3.75Å; V369-L373 HydrophobicContact CG1-CG 4.31Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.15Å; V369-L373 PolarHBondContact O-N 2.9Å |
| 370 | V | 96.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 174 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | C366 L367 L373 K374 Y381 S384 I385 T388 W761 | C366-V370 WeakPolarHBondContact O-CG2 3.45Å; C366-V370 PolarHBondContact O-N 3.41Å; L367-V370 PolarHBondContact O-N 3.35Å; V370-L373 PolarHBondContact O-N 3.01Å; V370-K374 WeakPolarHBondContact O-CB 3.45Å; V370-K374 PolarHBondContact O-N 2.75Å; V370-Y381 HydrophobicContact CG1-CD2 4.32Å; V370-Y381 HydrophobicContact CG1-CE2 3.86Å; V370-S384 VanDerWaalsContact CG2-OG 3.24Å; V370-S384 WeakPolarHBondContact CG2-OG 3.49Å; V370-I385 HydrophobicContact CG1-CG1 3.86Å; V370-I385 HydrophobicContact CG2-CG1 4.46Å; V370-T388 HydrophobicContact CG2-CG2 4.45Å; V370-W761 HydrophobicContact CG1-CZ2 3.92Å |
| 371 | H | 95.6 | Very high | 94.2 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.9 | 179.3 | 90.9 | 0 | 0 | 0 | 112.3 | L367 V369 L373 K374 R375 P835 A836 | L367-H371 WeakPolarHBondContact O-CB 3.31Å; L367-H371 PolarHBondContact O-N 3.3Å; V369-H371 VanDerWaalsContact C-N 3.31Å; V369-H371 PolarHBondContact O-N 3.3Å; H371-L373 VanDerWaalsContact C-N 3.32Å; H371-L373 PolarHBondContact O-N 2.97Å; H371-K374 PolarHBondContact O-N 3.47Å; H371-R375 WeakPolarHBondContact O-CB 3.4Å; H371-R375 PolarHBondContact O-N 3.5Å; H371-P835 WeakPolarHBondContact NE2-CB 3.44Å; H371-A836 HydrophobicContact CB-CB 3.8Å |
| 372 | S | 95 | Very high | 93.8 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | Q237 M368 V369 G376 | Q237-S372 PolarHBondContact NE2-OG 2.87Å; M368-S372 WeakPolarHBondContact O-CB 3.42Å; M368-S372 PolarHBondContact O-N 3.49Å; M368-S372 PolarHBondContact O-OG 2.81Å; V369-S372 WeakPolarHBondContact O-CB 3.41Å; V369-S372 PolarHBondContact O-N 3.34Å; V369-S372 VanDerWaalsContact O-N 3.13Å; S372-G376 PolarHBondContact O-N 3.22Å |
| 373 | L | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.8 | -35.6 | -180 | -65.4 | 169.4 | 0 | 0 | 0 | 112.1 | L295 P297 V369 V370 H371 G377 S378 Q380 Y381 S384 | L295-L373 HydrophobicContact CB-CD1 4.31Å; L295-L373 HydrophobicContact CD2-CD1 4.39Å; P297-L373 HydrophobicContact CG-CD2 4.26Å; V369-L373 HydrophobicContact CG1-CD1 3.75Å; V369-L373 HydrophobicContact CG1-CG 4.31Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.15Å; V369-L373 PolarHBondContact O-N 2.9Å; V370-L373 PolarHBondContact O-N 3.01Å; H371-L373 VanDerWaalsContact C-N 3.32Å; H371-L373 PolarHBondContact O-N 2.97Å; L373-G377 PolarHBondContact O-N 3.19Å; L373-G377 VanDerWaalsContact O-N 3.12Å; L373-S378 VanDerWaalsContact CD2-CB 3.48Å; L373-S378 PolarHBondContact O-N 3.47Å; L373-Q380 HydrophobicContact CD1-CB 4.46Å; L373-Q380 HydrophobicContact CD2-CB 4.44Å; L373-Y381 HydrophobicContact CB-CD2 4.32Å; L373-S384 VanDerWaalsContact CD1-CB 3.42Å |
| 374 | K | 92.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 39% | 0.387 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.3 | -52 | 171.3 | -157.9 | 170.2 | -168.2 | 155.6 | 0 | 110.3 | V370 H371 G376 G377 Y381 D767 | V370-K374 WeakPolarHBondContact O-CB 3.45Å; V370-K374 PolarHBondContact O-N 2.75Å; H371-K374 PolarHBondContact O-N 3.47Å; K374-G376 VanDerWaalsContact C-N 3.32Å; K374-G376 PolarHBondContact O-N 2.95Å; K374-G377 PolarHBondContact O-N 2.99Å; K374-Y381 HydrophobicContact CB-CD2 3.92Å; K374-Y381 HydrophobicContact CB-CE2 3.49Å; K374-Y381 VanDerWaalsContact CB-CE2 3.49Å; K374-Y381 HydrophobicContact CD-CE2 3.88Å; K374-Y381 VanDerWaalsContact CD-OH 3.23Å; K374-Y381 WeakPolarHBondContact CD-OH 3.25Å; K374-Y381 WeakPolarHBondContact CE-OH 3.49Å; K374-Y381 HydrophobicContact CG-CD2 4.42Å; K374-Y381 HydrophobicContact CG-CE1 4.44Å; K374-Y381 HydrophobicContact CG-CE2 3.67Å; K374-Y381 PolarHBondContact NZ-OH 3.46Å; K374-D767 IonicContact NZ-OD2 3.93Å; K374-D767 PolarHBondContact NZ-OD2 2.83Å |
| 375 | R | 92.7 | Very high | 92.9 | Very high | 212 Ų | 212 | 36.3 Ų | 36.3 | 80% | 0.8 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.9 | -33.8 | 179.4 | -176 | 176.4 | 175.4 | -174.1 | -2.5 | 113 | H371 | H371-R375 WeakPolarHBondContact O-CB 3.4Å; H371-R375 PolarHBondContact O-N 3.5Å |
| 376 | G | 89.3 | Confident | 92.5 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 46% | 0.464 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 0.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S372 K374 S378 | S372-G376 PolarHBondContact O-N 3.22Å; K374-G376 VanDerWaalsContact C-N 3.32Å; K374-G376 PolarHBondContact O-N 2.95Å; G376-S378 PolarHBondContact O-N 3.39Å |
| 377 | G | 88.8 | Confident | 92.3 | Very high | 69 Ų | 69 | 36.3 Ų | 36.3 | 71% | 0.711 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 27.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L373 K374 | L373-G377 PolarHBondContact O-N 3.19Å; L373-G377 VanDerWaalsContact O-N 3.12Å; K374-G377 PolarHBondContact O-N 2.99Å |
| 378 | S | 89.4 | Confident | 92.2 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | trans | -75.1 | 138 | -171 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | L373 G376 Q380 Y381 | L373-S378 VanDerWaalsContact CD2-CB 3.48Å; L373-S378 PolarHBondContact O-N 3.47Å; G376-S378 PolarHBondContact O-N 3.39Å; S378-Q380 PolarHBondContact O-N 2.87Å; S378-Q380 VanDerWaalsContact O-N 3.08Å; S378-Q380 PolarHBondContact OG-N 2.86Å; S378-Y381 WeakPolarHBondContact O-CB 3.06Å; S378-Y381 PolarHBondContact O-N 2.72Å | ||
| 379 | K | 85.4 | Confident | 92.1 | Very high | 202 Ų | 202 | 36.4 Ų | 36.4 | 88% | 0.878 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.6 | 174 | -62.8 | -178.2 | 179.4 | -179.2 | 0 | 113.4 | Y381 | K379-Y381 VanDerWaalsContact C-N 3.3Å; K379-Y381 PolarHBondContact O-N 3.43Å |
| 380 | Q | 87.1 | Confident | 91.9 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.6 | 178 | -62.9 | 174.7 | -27.8 | 0 | 0 | 113.8 | L294 L295 L306 L373 S378 S382 A383 S384 | L294-Q380 PolarHBondContact O-NE2 2.71Å; L294-Q380 VanDerWaalsContact O-NE2 3.12Å; L294-Q380 PolarHBondContact O-OE1 3.37Å; L294-Q380 VanDerWaalsContact O-OE1 3.07Å; L295-Q380 HydrophobicContact CD2-CB 4.08Å; L306-Q380 HydrophobicContact CD2-CB 4.41Å; L306-Q380 HydrophobicContact CD2-CG 4.03Å; L373-Q380 HydrophobicContact CD1-CB 4.46Å; L373-Q380 HydrophobicContact CD2-CB 4.44Å; S378-Q380 PolarHBondContact O-N 2.87Å; S378-Q380 VanDerWaalsContact O-N 3.08Å; S378-Q380 PolarHBondContact OG-N 2.86Å; Q380-S382 PolarHBondContact O-N 2.91Å; Q380-A383 PolarHBondContact O-N 3.12Å; Q380-S384 PolarHBondContact O-N 3.33Å |
| 381 | Y | 90.5 | Very high | 91.8 | Very high | 24 Ų | 24 | 36.3 Ų | 36.3 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.4 | -44.6 | -177.4 | 171.9 | -117.3 | 0 | 0 | 0 | 113.1 | V370 L373 K374 S378 K379 S384 I385 I648 | V370-Y381 HydrophobicContact CG1-CD2 4.32Å; V370-Y381 HydrophobicContact CG1-CE2 3.86Å; L373-Y381 HydrophobicContact CB-CD2 4.32Å; K374-Y381 HydrophobicContact CB-CD2 3.92Å; K374-Y381 HydrophobicContact CB-CE2 3.49Å; K374-Y381 VanDerWaalsContact CB-CE2 3.49Å; K374-Y381 HydrophobicContact CD-CE2 3.88Å; K374-Y381 VanDerWaalsContact CD-OH 3.23Å; K374-Y381 WeakPolarHBondContact CD-OH 3.25Å; K374-Y381 WeakPolarHBondContact CE-OH 3.49Å; K374-Y381 HydrophobicContact CG-CD2 4.42Å; K374-Y381 HydrophobicContact CG-CE1 4.44Å; K374-Y381 HydrophobicContact CG-CE2 3.67Å; K374-Y381 PolarHBondContact NZ-OH 3.46Å; S378-Y381 WeakPolarHBondContact O-CB 3.06Å; S378-Y381 PolarHBondContact O-N 2.72Å; K379-Y381 VanDerWaalsContact C-N 3.3Å; K379-Y381 PolarHBondContact O-N 3.43Å; Y381-S384 PolarHBondContact O-N 3.46Å; Y381-I385 HydrophobicContact CD1-CD1 4.21Å; Y381-I385 HydrophobicContact CD2-CD1 4.13Å; Y381-I385 HydrophobicContact CD2-CG1 4.47Å; Y381-I385 HydrophobicContact CE1-CD1 3.73Å; Y381-I385 HydrophobicContact CE2-CD1 3.63Å; Y381-I385 HydrophobicContact CE2-CG1 4.17Å; Y381-I385 HydrophobicContact CG-CD1 4.39Å; Y381-I385 VanDerWaalsContact CZ-CD1 3.41Å; Y381-I385 WeakPolarHBondContact O-CG1 3.31Å; Y381-I385 PolarHBondContact O-N 3.09Å; Y381-I648 HydrophobicContact CD1-CG2 4.49Å; Y381-I648 HydrophobicContact CE1-CG2 4.49Å |
| 382 | S | 88.5 | Confident | 91.8 | Very high | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | Q380 I385 A386 | Q380-S382 PolarHBondContact O-N 2.91Å; S382-I385 PolarHBondContact O-N 2.87Å; S382-A386 WeakPolarHBondContact O-CB 3.46Å; S382-A386 PolarHBondContact O-N 3.42Å |
| 383 | A | 89.5 | Confident | 91.7 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L306 Q380 A386 F387 M655 | L306-A383 HydrophobicContact CD2-CB 3.91Å; Q380-A383 PolarHBondContact O-N 3.12Å; A383-A386 PolarHBondContact O-N 3.34Å; A383-F387 WeakPolarHBondContact O-CB 3.31Å; A383-F387 PolarHBondContact O-N 3.29Å; A383-M655 HydrophobicContact CB-CE 3.89Å; A383-M655 HydrophobicContact CB-SD 3.64Å |
| 384 | S | 93.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | V370 L373 Q380 Y381 T388 | V370-S384 VanDerWaalsContact CG2-OG 3.24Å; V370-S384 WeakPolarHBondContact CG2-OG 3.49Å; L373-S384 VanDerWaalsContact CD1-CB 3.42Å; Q380-S384 PolarHBondContact O-N 3.33Å; Y381-S384 PolarHBondContact O-N 3.46Å; S384-T388 VanDerWaalsContact O-CB 3.25Å; S384-T388 WeakPolarHBondContact O-CB 3.36Å; S384-T388 PolarHBondContact O-N 3.43Å; S384-T388 PolarHBondContact O-OG1 3.26Å |
| 385 | I | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 172 | -66.6 | 166.6 | 0 | 0 | 0 | 110.5 | V370 Y381 S382 F387 T388 L389 L652 I768 | V370-I385 HydrophobicContact CG1-CG1 3.86Å; V370-I385 HydrophobicContact CG2-CG1 4.46Å; Y381-I385 HydrophobicContact CD1-CD1 4.21Å; Y381-I385 HydrophobicContact CD2-CD1 4.13Å; Y381-I385 HydrophobicContact CD2-CG1 4.47Å; Y381-I385 HydrophobicContact CE1-CD1 3.73Å; Y381-I385 HydrophobicContact CE2-CD1 3.63Å; Y381-I385 HydrophobicContact CE2-CG1 4.17Å; Y381-I385 HydrophobicContact CG-CD1 4.39Å; Y381-I385 VanDerWaalsContact CZ-CD1 3.41Å; Y381-I385 WeakPolarHBondContact O-CG1 3.31Å; Y381-I385 PolarHBondContact O-N 3.09Å; S382-I385 PolarHBondContact O-N 2.87Å; I385-F387 VanDerWaalsContact C-N 3.32Å; I385-F387 PolarHBondContact O-N 3.07Å; I385-T388 PolarHBondContact O-N 3.25Å; I385-L389 HydrophobicContact CG2-CD1 3.66Å; I385-L389 HydrophobicContact CG2-CG 4.01Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 2.87Å; I385-L652 HydrophobicContact CB-CD1 4.1Å; I385-L652 HydrophobicContact CG2-CD1 3.72Å; I385-L652 HydrophobicContact CG2-CD2 4.01Å; I385-I768 HydrophobicContact CD1-CD1 3.76Å; I385-I768 HydrophobicContact CD1-CG1 4.1Å; I385-I768 HydrophobicContact CG1-CD1 4.08Å; I385-I768 HydrophobicContact CG2-CD1 4.4Å; I385-I768 HydrophobicContact CG2-CG2 3.67Å |
| 386 | A | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S382 A383 A390 L652 M655 L659 | S382-A386 WeakPolarHBondContact O-CB 3.46Å; S382-A386 PolarHBondContact O-N 3.42Å; A383-A386 PolarHBondContact O-N 3.34Å; A386-A390 WeakPolarHBondContact O-CB 3.38Å; A386-A390 PolarHBondContact O-N 3.11Å; A386-A390 VanDerWaalsContact O-N 3.09Å; A386-L652 HydrophobicContact CB-CD1 3.85Å; A386-M655 HydrophobicContact CB-CB 3.74Å; A386-L659 HydrophobicContact CB-CD1 3.98Å |
| 387 | F | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 173.1 | 174.5 | -98 | 0 | 0 | 0 | 112.2 | F288 L291 C310 V313 L314 A383 I385 L389 A390 L391 | F288-F387 HydrophobicContact CD2-CZ 4.33Å; F288-F387 HydrophobicContact CE2-CE1 4.39Å; L291-F387 HydrophobicContact CD2-CD1 4.21Å; L291-F387 HydrophobicContact CD2-CD2 3.74Å; L291-F387 HydrophobicContact CD2-CE1 3.94Å; L291-F387 HydrophobicContact CD2-CE2 3.42Å; L291-F387 VanDerWaalsContact CD2-CE2 3.42Å; L291-F387 HydrophobicContact CD2-CG 4.12Å; L291-F387 HydrophobicContact CD2-CZ 3.55Å; C310-F387 HydrophobicContact CB-CB 4.49Å; C310-F387 HydrophobicContact CB-CD2 3.89Å; V313-F387 HydrophobicContact CB-CE2 4.07Å; V313-F387 HydrophobicContact CG1-CE2 3.8Å; V313-F387 HydrophobicContact CG1-CZ 3.79Å; L314-F387 HydrophobicContact CD1-CD2 3.97Å; L314-F387 HydrophobicContact CD1-CE2 4.38Å; L314-F387 HydrophobicContact CD2-CD2 4.14Å; L314-F387 HydrophobicContact CD2-CE2 3.93Å; L314-F387 HydrophobicContact CG-CD2 3.86Å; L314-F387 HydrophobicContact CG-CE2 3.76Å; A383-F387 WeakPolarHBondContact O-CB 3.31Å; A383-F387 PolarHBondContact O-N 3.29Å; I385-F387 VanDerWaalsContact C-N 3.32Å; I385-F387 PolarHBondContact O-N 3.07Å; F387-L389 PolarHBondContact O-N 3.46Å; F387-A390 PolarHBondContact O-N 3.23Å; F387-L391 HydrophobicContact CE1-CD2 4.23Å; F387-L391 WeakPolarHBondContact O-CB 3.3Å; F387-L391 PolarHBondContact O-N 3.32Å |
| 388 | T | 96.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | -176.2 | -57 | 0 | 0 | 0 | 0 | 112.1 | C366 L367 V370 S384 I385 F392 F758 | C366-T388 HydrophobicContact CB-CG2 3.81Å; L367-T388 HydrophobicContact CD2-CG2 4.05Å; V370-T388 HydrophobicContact CG2-CG2 4.45Å; S384-T388 VanDerWaalsContact O-CB 3.25Å; S384-T388 WeakPolarHBondContact O-CB 3.36Å; S384-T388 PolarHBondContact O-N 3.43Å; S384-T388 PolarHBondContact O-OG1 3.26Å; I385-T388 PolarHBondContact O-N 3.25Å; T388-F392 WeakPolarHBondContact O-CB 3.41Å; T388-F392 PolarHBondContact O-N 3.06Å; T388-F392 VanDerWaalsContact O-N 3.1Å; T388-F758 HydrophobicContact CG2-CE2 3.64Å; T388-F758 HydrophobicContact CG2-CZ 3.84Å |
| 389 | L | 94.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70 | -38.5 | 173.5 | -66 | 177.2 | 0 | 0 | 0 | 112.7 | I385 F387 F392 S393 F660 F758 W761 L762 I768 C772 L779 | I385-L389 HydrophobicContact CG2-CD1 3.66Å; I385-L389 HydrophobicContact CG2-CG 4.01Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 2.87Å; F387-L389 PolarHBondContact O-N 3.46Å; L389-F392 PolarHBondContact O-N 3.37Å; L389-S393 WeakPolarHBondContact O-CB 3.46Å; L389-S393 PolarHBondContact O-N 3.03Å; L389-F660 HydrophobicContact CB-CE2 4.46Å; L389-F660 HydrophobicContact CB-CZ 4.16Å; L389-F758 HydrophobicContact CD2-CE1 4Å; L389-F758 HydrophobicContact CD2-CZ 4.15Å; L389-W761 HydrophobicContact CD2-CZ3 4.21Å; L389-L762 HydrophobicContact CD2-CD2 3.87Å; L389-I768 HydrophobicContact CD1-CG2 3.94Å; L389-I768 HydrophobicContact CD2-CG2 4.37Å; L389-C772 HydrophobicContact CD1-CB 4.04Å; L389-C772 WeakPolarHBondContact CD1-SG 3.24Å; L389-L779 HydrophobicContact CD2-CD2 4.46Å |
| 390 | A | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L314 A386 F387 F392 S393 H394 L659 F660 | L314-A390 HydrophobicContact CD1-CB 3.58Å; L314-A390 HydrophobicContact CD2-CB 4.06Å; L314-A390 HydrophobicContact CG-CB 4.48Å; A386-A390 WeakPolarHBondContact O-CB 3.38Å; A386-A390 PolarHBondContact O-N 3.11Å; A386-A390 VanDerWaalsContact O-N 3.09Å; F387-A390 PolarHBondContact O-N 3.23Å; A390-F392 VanDerWaalsContact C-N 3.35Å; A390-F392 PolarHBondContact O-N 3.37Å; A390-S393 WeakPolarHBondContact O-CB 3.42Å; A390-S393 PolarHBondContact O-N 3.44Å; A390-H394 PolarHBondContact O-CD2 3.37Å; A390-H394 PolarHBondContact O-N 3.13Å; A390-L659 HydrophobicContact CB-CB 4.18Å; A390-F660 HydrophobicContact CB-CD2 4.14Å; A390-F660 HydrophobicContact CB-CE2 3.75Å; A390-F660 HydrophobicContact CB-CZ 4.13Å |
| 391 | L | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 2% | 0.016 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 173.8 | -173.9 | 71.3 | 0 | 0 | 0 | 110.9 | L314 F317 V363 F387 H394 L395 | L314-L391 HydrophobicContact CD2-CB 3.9Å; L314-L391 HydrophobicContact CD2-CD1 4.12Å; F317-L391 HydrophobicContact CD1-CD1 3.46Å; F317-L391 VanDerWaalsContact CD1-CD1 3.46Å; F317-L391 HydrophobicContact CD2-CD1 4.28Å; F317-L391 HydrophobicContact CE1-CD1 3.49Å; F317-L391 VanDerWaalsContact CE1-CD1 3.49Å; F317-L391 HydrophobicContact CE1-CG 4.34Å; F317-L391 HydrophobicContact CE2-CD1 4.32Å; F317-L391 HydrophobicContact CG-CD1 3.87Å; F317-L391 HydrophobicContact CZ-CD1 3.95Å; V363-L391 HydrophobicContact CG2-CD2 4.16Å; F387-L391 HydrophobicContact CE1-CD2 4.23Å; F387-L391 WeakPolarHBondContact O-CB 3.3Å; F387-L391 PolarHBondContact O-N 3.32Å; L391-H394 PolarHBondContact O-N 3.44Å; L391-L395 PolarHBondContact O-N 2.91Å |
| 392 | F | 96.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 0% | 0.004 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 174.8 | 178.6 | -125.2 | 0 | 0 | 0 | 112.8 | T388 L389 A390 H394 L395 V396 V755 F758 V759 L762 L779 | T388-F392 WeakPolarHBondContact O-CB 3.41Å; T388-F392 PolarHBondContact O-N 3.06Å; T388-F392 VanDerWaalsContact O-N 3.1Å; L389-F392 PolarHBondContact O-N 3.37Å; A390-F392 VanDerWaalsContact C-N 3.35Å; A390-F392 PolarHBondContact O-N 3.37Å; F392-H394 PolarHBondContact O-N 2.95Å; F392-L395 WeakPolarHBondContact O-CB 3.44Å; F392-L395 PolarHBondContact O-N 2.94Å; F392-V396 HydrophobicContact CD2-CG2 3.9Å; F392-V396 HydrophobicContact CE1-CG2 4.14Å; F392-V396 HydrophobicContact CE2-CG2 3.41Å; F392-V396 VanDerWaalsContact CE2-CG2 3.41Å; F392-V396 HydrophobicContact CG-CG2 4.43Å; F392-V396 HydrophobicContact CZ-CG2 3.56Å; F392-V396 WeakPolarHBondContact O-CG2 3.43Å; F392-V396 PolarHBondContact O-N 3.28Å; F392-V755 HydrophobicContact CE2-CB 4.47Å; F392-V755 HydrophobicContact CE2-CG1 4.23Å; F392-V755 HydrophobicContact CE2-CG2 4.42Å; F392-V755 HydrophobicContact CZ-CG1 4.3Å; F392-F758 HydrophobicContact CB-CD1 4.05Å; F392-F758 HydrophobicContact CB-CD2 3.96Å; F392-F758 HydrophobicContact CB-CE1 3.75Å; F392-F758 HydrophobicContact CB-CE2 3.64Å; F392-F758 HydrophobicContact CB-CG 4.15Å; F392-F758 HydrophobicContact CB-CZ 3.52Å; F392-F758 AromaticContact CD1-CD1 3.24Å; F392-F758 HydrophobicContact CD1-CD1 3.24Å; F392-F758 AromaticContact CD1-CE1 3.32Å; F392-F758 HydrophobicContact CD1-CE1 3.32Å; F392-F758 AromaticContact CD1-CG 3.93Å; F392-F758 HydrophobicContact CD1-CG 3.93Å; F392-F758 HydrophobicContact CD1-CZ 4.05Å; F392-F758 HydrophobicContact CD2-CB 3.76Å; F392-F758 AromaticContact CD2-CD1 3.77Å; F392-F758 HydrophobicContact CD2-CD1 3.77Å; F392-F758 AromaticContact CD2-CD2 3.93Å; F392-F758 HydrophobicContact CD2-CD2 3.93Å; F392-F758 HydrophobicContact CD2-CE1 4.34Å; F392-F758 HydrophobicContact CD2-CE2 4.47Å; F392-F758 AromaticContact CD2-CG 3.53Å; F392-F758 HydrophobicContact CD2-CG 3.53Å; F392-F758 AromaticContact CE1-CD1 3.48Å; F392-F758 HydrophobicContact CE1-CD1 3.48Å; F392-F758 VanDerWaalsContact CE1-CD1 3.48Å; F392-F758 AromaticContact CE1-CE1 3.97Å; F392-F758 HydrophobicContact CE1-CE1 3.97Å; F392-F758 HydrophobicContact CE1-CG 4.18Å; F392-F758 HydrophobicContact CE2-CB 3.61Å; F392-F758 AromaticContact CE2-CD1 3.99Å; F392-F758 HydrophobicContact CE2-CD1 3.99Å; F392-F758 AromaticContact CE2-CG 3.83Å; F392-F758 HydrophobicContact CE2-CG 3.83Å; F392-F758 HydrophobicContact CG-CB 4.31Å; F392-F758 AromaticContact CG-CD1 3.4Å; F392-F758 HydrophobicContact CG-CD1 3.4Å; F392-F758 VanDerWaalsContact CG-CD1 3.4Å; F392-F758 AromaticContact CG-CD2 3.91Å; F392-F758 HydrophobicContact CG-CD2 3.91Å; F392-F758 AromaticContact CG-CE1 3.55Å; F392-F758 HydrophobicContact CG-CE1 3.55Å; F392-F758 HydrophobicContact CG-CE2 4.03Å; F392-F758 AromaticContact CG-CG 3.59Å; F392-F758 HydrophobicContact CG-CG 3.59Å; F392-F758 AromaticContact CG-CZ 3.85Å; F392-F758 HydrophobicContact CG-CZ 3.85Å; F392-F758 HydrophobicContact CZ-CB 4Å; F392-F758 AromaticContact CZ-CD1 3.85Å; F392-F758 HydrophobicContact CZ-CD1 3.85Å; F392-F758 HydrophobicContact CZ-CG 4.14Å; F392-V759 HydrophobicContact CZ-CG1 4.25Å; F392-L762 HydrophobicContact CD1-CD1 4.43Å; F392-L762 HydrophobicContact CE1-CD1 3.98Å; F392-L779 HydrophobicContact CD1-CD1 3.58Å; F392-L779 HydrophobicContact CD1-CD2 4.32Å; F392-L779 HydrophobicContact CE1-CD1 3.83Å; F392-L779 HydrophobicContact CG-CD1 4.49Å |
| 393 | S | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.7 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | L389 A390 L395 N397 F660 R782 | L389-S393 WeakPolarHBondContact O-CB 3.46Å; L389-S393 PolarHBondContact O-N 3.03Å; A390-S393 WeakPolarHBondContact O-CB 3.42Å; A390-S393 PolarHBondContact O-N 3.44Å; S393-L395 VanDerWaalsContact C-N 3.34Å; S393-N397 WeakPolarHBondContact O-CB 3.35Å; S393-N397 PolarHBondContact O-N 3.34Å; S393-N397 VanDerWaalsContact O-N 3.07Å; S393-F660 VanDerWaalsContact CB-CE1 3.45Å; S393-R782 WeakPolarHBondContact O-CD 3.5Å; S393-R782 WeakPolarHBondContact OG-CD 3.48Å; S393-R782 PolarHBondContact OG-NH1 3.03Å |
| 394 | H | 88.8 | Confident | 91.2 | Very high | 25 Ų | 25 | 6.9 Ų | 6.9 | 12% | 0.116 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 173.8 | -70.5 | -169.3 | 0 | 0 | 0 | 111.4 | L314 A390 L391 F392 N397 H398 | L314-H394 PolarHBondContact O-ND1 3.48Å; A390-H394 PolarHBondContact O-CD2 3.37Å; A390-H394 PolarHBondContact O-N 3.13Å; L391-H394 PolarHBondContact O-N 3.44Å; F392-H394 PolarHBondContact O-N 2.95Å; H394-N397 WeakPolarHBondContact O-CB 3.49Å; H394-N397 PolarHBondContact O-N 3.22Å; H394-H398 PolarHBondContact O-N 3.41Å; H394-H398 VanDerWaalsContact O-N 3.07Å |
| 395 | L | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.8 | -51.7 | 175.7 | -169.3 | 74.8 | 0 | 0 | 0 | 112.5 | I359 L391 F392 S393 N397 H398 V399 L751 V754 | I359-L395 HydrophobicContact CG2-CD1 3.6Å; L391-L395 PolarHBondContact O-N 2.91Å; F392-L395 WeakPolarHBondContact O-CB 3.44Å; F392-L395 PolarHBondContact O-N 2.94Å; S393-L395 VanDerWaalsContact C-N 3.34Å; L395-N397 VanDerWaalsContact C-N 3.27Å; L395-N397 PolarHBondContact O-N 3.37Å; L395-H398 PolarHBondContact O-N 3.44Å; L395-V399 WeakPolarHBondContact O-CG2 3.46Å; L395-V399 PolarHBondContact O-N 2.92Å; L395-L751 HydrophobicContact CD1-CD1 3.92Å; L395-L751 HydrophobicContact CD1-CD2 4.17Å; L395-V754 HydrophobicContact CD2-CB 3.8Å; L395-V754 HydrophobicContact CD2-CG1 3.43Å; L395-V754 VanDerWaalsContact CD2-CG1 3.43Å |
| 396 | V | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 178.1 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | F392 H398 V399 N400 V755 R782 L786 | F392-V396 HydrophobicContact CD2-CG2 3.9Å; F392-V396 HydrophobicContact CE1-CG2 4.14Å; F392-V396 HydrophobicContact CE2-CG2 3.41Å; F392-V396 VanDerWaalsContact CE2-CG2 3.41Å; F392-V396 HydrophobicContact CG-CG2 4.43Å; F392-V396 HydrophobicContact CZ-CG2 3.56Å; F392-V396 WeakPolarHBondContact O-CG2 3.43Å; F392-V396 PolarHBondContact O-N 3.28Å; V396-H398 VanDerWaalsContact C-N 3.32Å; V396-H398 PolarHBondContact O-N 3.44Å; V396-V399 PolarHBondContact O-N 2.92Å; V396-N400 PolarHBondContact O-N 3.25Å; V396-N400 PolarHBondContact O-OD1 3.38Å; V396-V755 HydrophobicContact CG2-CG2 4.45Å; V396-R782 HydrophobicContact CG1-CB 4Å; V396-R782 WeakPolarHBondContact CG1-O 3.34Å; V396-L786 HydrophobicContact CG1-CB 4.17Å; V396-L786 HydrophobicContact CG1-CD2 4.14Å |
| 397 | N | 88.8 | Confident | 89.7 | Confident | 14 Ų | 14 | 13.6 Ų | 13.6 | 8% | 0.075 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 173 | -165.6 | 84.1 | 0 | 0 | 0 | 112.2 | S393 H394 L395 I401 R782 | S393-N397 WeakPolarHBondContact O-CB 3.35Å; S393-N397 PolarHBondContact O-N 3.34Å; S393-N397 VanDerWaalsContact O-N 3.07Å; H394-N397 WeakPolarHBondContact O-CB 3.49Å; H394-N397 PolarHBondContact O-N 3.22Å; L395-N397 VanDerWaalsContact C-N 3.27Å; L395-N397 PolarHBondContact O-N 3.37Å; N397-I401 VanDerWaalsContact ND2-CD1 3.35Å; N397-I401 WeakPolarHBondContact ND2-CD1 3.44Å; N397-I401 WeakPolarHBondContact O-CD1 3.35Å; N397-I401 VanDerWaalsContact O-CG1 3.25Å; N397-I401 WeakPolarHBondContact O-CG1 3.45Å; N397-I401 PolarHBondContact O-N 3.09Å; N397-I401 VanDerWaalsContact O-N 3.1Å; N397-R782 HydrophobicContact CB-CG 4.38Å; N397-R782 PolarHBondContact OD1-NE 2.91Å; N397-R782 PolarHBondContact OD1-NH2 2.79Å |
| 398 | H | 88.8 | Confident | 88.6 | Confident | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.4 | -38.2 | 178.5 | -173.2 | 70.9 | 0 | 0 | 0 | 112.9 | L321 H394 L395 V396 I401 R402 | L321-H398 HydrophobicContact CD1-CB 3.88Å; L321-H398 PolarHBondContact O-CE1 2.9Å; L321-H398 PolarHBondContact O-NE2 3.09Å; H394-H398 PolarHBondContact O-N 3.41Å; H394-H398 VanDerWaalsContact O-N 3.07Å; L395-H398 PolarHBondContact O-N 3.44Å; V396-H398 VanDerWaalsContact C-N 3.32Å; V396-H398 PolarHBondContact O-N 3.44Å; H398-I401 PolarHBondContact O-N 3.25Å; H398-R402 PolarHBondContact NE2-NE 2.68Å; H398-R402 PolarHBondContact O-N 3.39Å |
| 399 | V | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 172.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | L395 V396 I401 R402 L403 L751 M752 V755 L786 | L395-V399 WeakPolarHBondContact O-CG2 3.46Å; L395-V399 PolarHBondContact O-N 2.92Å; V396-V399 PolarHBondContact O-N 2.92Å; V399-I401 PolarHBondContact O-N 3.02Å; V399-R402 PolarHBondContact O-N 2.82Å; V399-L403 HydrophobicContact CG1-CD1 3.91Å; V399-L403 HydrophobicContact CG1-CG 4.43Å; V399-L403 WeakPolarHBondContact O-CB 3.19Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.11Å; V399-L751 HydrophobicContact CG2-CB 3.63Å; V399-L751 HydrophobicContact CG2-CD1 3.96Å; V399-L751 HydrophobicContact CG2-CG 4.46Å; V399-M752 HydrophobicContact CG1-SD 4.08Å; V399-V755 HydrophobicContact CG2-CG2 4.31Å; V399-L786 HydrophobicContact CG1-CD1 3.91Å |
| 400 | N | 89.5 | Confident | 84.3 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.032 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 174.1 | -68.6 | -11.2 | 0 | 0 | 0 | 111.5 | V396 R402 L403 Q404 R782 V785 L786 L789 | V396-N400 PolarHBondContact O-N 3.25Å; V396-N400 PolarHBondContact O-OD1 3.38Å; N400-R402 PolarHBondContact O-N 3.25Å; N400-L403 PolarHBondContact O-N 2.93Å; N400-Q404 VanDerWaalsContact O-CB 3.28Å; N400-Q404 WeakPolarHBondContact O-CB 3.17Å; N400-Q404 VanDerWaalsContact O-CG 3.23Å; N400-Q404 WeakPolarHBondContact O-CG 3.42Å; N400-Q404 PolarHBondContact O-N 2.72Å; N400-Q404 PolarHBondContact O-OE1 3.19Å; N400-R782 PolarHBondContact ND2-O 2.91Å; N400-V785 HydrophobicContact CB-CG1 4.31Å; N400-L786 VanDerWaalsContact OD1-CA 3.27Å; N400-L786 WeakPolarHBondContact OD1-CA 3.46Å; N400-L786 WeakPolarHBondContact OD1-CB 3.25Å; N400-L786 WeakPolarHBondContact OD1-CD1 3.17Å; N400-L786 PolarHBondContact OD1-N 3.45Å; N400-L789 HydrophobicContact CB-CD1 4.28Å |
| 401 | I | 83.9 | Confident | 82 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | -178.7 | -67.5 | 161.4 | 0 | 0 | 0 | 112 | F322 N397 H398 V399 A405 N919 | F322-I401 HydrophobicContact CE1-CD1 3.93Å; F322-I401 HydrophobicContact CE1-CG2 4.37Å; F322-I401 HydrophobicContact CZ-CD1 3.84Å; N397-I401 VanDerWaalsContact ND2-CD1 3.35Å; N397-I401 WeakPolarHBondContact ND2-CD1 3.44Å; N397-I401 WeakPolarHBondContact O-CD1 3.35Å; N397-I401 VanDerWaalsContact O-CG1 3.25Å; N397-I401 WeakPolarHBondContact O-CG1 3.45Å; N397-I401 PolarHBondContact O-N 3.09Å; N397-I401 VanDerWaalsContact O-N 3.1Å; H398-I401 PolarHBondContact O-N 3.25Å; V399-I401 PolarHBondContact O-N 3.02Å; I401-A405 VanDerWaalsContact O-CB 3.3Å; I401-A405 WeakPolarHBondContact O-CB 3.03Å; I401-A405 PolarHBondContact O-N 3.11Å; I401-N919 HydrophobicContact CD1-CB 3.88Å; I401-N919 WeakPolarHBondContact CD1-ND2 3.15Å |
| 402 | R | 86 | Confident | 79.2 | Confident | 53 Ų | 53 | 34.4 Ų | 34.4 | 20% | 0.2 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -52.1 | 172.9 | -84 | -174.9 | 166.2 | -179.9 | -1.8 | 110.7 | D356 H398 V399 N400 Q404 A405 E406 Q749 | D356-R402 IonicContact OD1-CZ 3.66Å; D356-R402 IonicContact OD1-NH1 3.45Å; D356-R402 PolarHBondContact OD1-NH1 2.98Å; D356-R402 IonicContact OD1-NH2 2.65Å; D356-R402 IonicContact OD2-NH1 2.81Å; D356-R402 PolarHBondContact OD2-NH1 3.5Å; H398-R402 PolarHBondContact NE2-NE 2.68Å; H398-R402 PolarHBondContact O-N 3.39Å; V399-R402 PolarHBondContact O-N 2.82Å; N400-R402 PolarHBondContact O-N 3.25Å; R402-Q404 PolarHBondContact O-N 2.65Å; R402-A405 PolarHBondContact O-N 2.95Å; R402-E406 VanDerWaalsContact O-CG 3.29Å; R402-E406 WeakPolarHBondContact O-CG 3.48Å; R402-E406 PolarHBondContact O-N 3.46Å; R402-Q749 VanDerWaalsContact CD-OE1 3.25Å |
| 403 | L | 87.6 | Confident | 75.9 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 179.1 | -74.7 | 173.6 | 0 | 0 | 0 | 112.4 | V399 N400 E406 L407 I745 L746 Q749 L786 L789 | V399-L403 HydrophobicContact CG1-CD1 3.91Å; V399-L403 HydrophobicContact CG1-CG 4.43Å; V399-L403 WeakPolarHBondContact O-CB 3.19Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.11Å; N400-L403 PolarHBondContact O-N 2.93Å; L403-E406 PolarHBondContact O-N 2.84Å; L403-L407 HydrophobicContact CB-CD1 4.48Å; L403-L407 WeakPolarHBondContact O-CB 3.36Å; L403-L407 WeakPolarHBondContact O-CD1 3.41Å; L403-L407 WeakPolarHBondContact O-CG 3.29Å; L403-L407 PolarHBondContact O-N 3.17Å; L403-I745 HydrophobicContact CD2-CG2 3.96Å; L403-L746 HydrophobicContact CD1-CD2 3.95Å; L403-L746 HydrophobicContact CD2-CD2 3.66Å; L403-L746 HydrophobicContact CD2-CG 4.18Å; L403-L746 HydrophobicContact CG-CD2 4.49Å; L403-Q749 HydrophobicContact CD2-CG 3.53Å; L403-Q749 HydrophobicContact CG-CG 4.09Å; L403-L786 HydrophobicContact CD1-CD1 3.74Å; L403-L789 HydrophobicContact CB-CD1 4.21Å |
| 404 | Q | 84.9 | Confident | 72.9 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 178.2 | -73.9 | 177.2 | -73.1 | 0 | 0 | 111.7 | N400 R402 L407 E408 L789 | N400-Q404 VanDerWaalsContact O-CB 3.28Å; N400-Q404 WeakPolarHBondContact O-CB 3.17Å; N400-Q404 VanDerWaalsContact O-CG 3.23Å; N400-Q404 WeakPolarHBondContact O-CG 3.42Å; N400-Q404 PolarHBondContact O-N 2.72Å; N400-Q404 PolarHBondContact O-OE1 3.19Å; R402-Q404 PolarHBondContact O-N 2.65Å; Q404-L407 PolarHBondContact O-N 3.42Å; Q404-E408 WeakPolarHBondContact O-CB 3.48Å; Q404-E408 WeakPolarHBondContact O-CG 3.44Å; Q404-E408 PolarHBondContact O-N 3.46Å; Q404-L789 HydrophobicContact CG-CD1 3.91Å; Q404-L789 HydrophobicContact CG-CD2 3.97Å |
| 405 | A | 81.6 | Confident | 69.9 | Low | 9 Ų | 9 | 53.4 Ų | 53.4 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -54.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I401 R402 L407 E408 E409 | I401-A405 VanDerWaalsContact O-CB 3.3Å; I401-A405 WeakPolarHBondContact O-CB 3.03Å; I401-A405 PolarHBondContact O-N 3.11Å; R402-A405 PolarHBondContact O-N 2.95Å; A405-L407 VanDerWaalsContact C-N 3.25Å; A405-L407 PolarHBondContact O-N 2.88Å; A405-E408 PolarHBondContact O-N 2.93Å; A405-E409 VanDerWaalsContact O-CB 3.23Å; A405-E409 WeakPolarHBondContact O-CB 3.39Å; A405-E409 VanDerWaalsContact O-CG 3.23Å; A405-E409 WeakPolarHBondContact O-CG 3.47Å; A405-E409 PolarHBondContact O-N 3.17Å |
| 406 | E | 83.4 | Confident | 66.8 | Low | 90 Ų | 90 | 57.1 Ų | 57.1 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -30.7 | -179.8 | -65.3 | -71.1 | 167.8 | 0 | 0 | 113.1 | R402 L403 K737 I745 | R402-E406 VanDerWaalsContact O-CG 3.29Å; R402-E406 WeakPolarHBondContact O-CG 3.48Å; R402-E406 PolarHBondContact O-N 3.46Å; L403-E406 PolarHBondContact O-N 2.84Å; E406-K737 PolarHBondContact O-NZ 3.05Å; E406-I745 HydrophobicContact CB-CD1 4.37Å; E406-I745 HydrophobicContact CB-CG1 4.34Å; E406-I745 HydrophobicContact CB-CG2 3.57Å; E406-I745 HydrophobicContact CG-CG2 4.33Å; E406-I745 WeakPolarHBondContact O-CD1 3.42Å |
| 407 | L | 80.1 | Confident | 63.5 | Low | 43 Ų | 43 | 65.1 Ų | 65.1 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -78.7 | -38.4 | 176.4 | -69.9 | 168.4 | 0 | 0 | 0 | 112.5 | L403 Q404 A405 K737 K742 I745 L789 | L403-L407 HydrophobicContact CB-CD1 4.48Å; L403-L407 WeakPolarHBondContact O-CB 3.36Å; L403-L407 WeakPolarHBondContact O-CD1 3.41Å; L403-L407 WeakPolarHBondContact O-CG 3.29Å; L403-L407 PolarHBondContact O-N 3.17Å; Q404-L407 PolarHBondContact O-N 3.42Å; A405-L407 VanDerWaalsContact C-N 3.25Å; A405-L407 PolarHBondContact O-N 2.88Å; L407-K737 WeakPolarHBondContact O-CE 3.45Å; L407-K742 HydrophobicContact CD2-CB 4.42Å; L407-K742 HydrophobicContact CD2-CG 3.69Å; L407-I745 HydrophobicContact CD2-CD1 4Å; L407-L789 HydrophobicContact CD1-CD2 4.24Å |
| 408 | E | 72 | Confident | 60.6 | Low | 76 Ų | 76 | 72.1 Ų | 72.1 | 36% | 0.355 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -79.5 | -28.1 | 180 | -68.8 | 164.9 | -154 | 0 | 0 | 113 | Q404 A405 G410 E411 R920 | Q404-E408 WeakPolarHBondContact O-CB 3.48Å; Q404-E408 WeakPolarHBondContact O-CG 3.44Å; Q404-E408 PolarHBondContact O-N 3.46Å; A405-E408 PolarHBondContact O-N 2.93Å; E408-G410 PolarHBondContact O-N 2.8Å; E408-E411 PolarHBondContact O-N 3.49Å; E408-E411 VanDerWaalsContact O-N 3.14Å; E408-R920 IonicContact OE2-CZ 3.56Å; E408-R920 IonicContact OE2-NH1 3.97Å; E408-R920 PolarHBondContact OE2-NH1 2.88Å; E408-R920 IonicContact OE2-NH2 2.75Å; E408-R920 PolarHBondContact OE2-NH2 2.66Å |
| 409 | E | 54.2 | Low | 57.7 | Low | 113 Ų | 113 | 78.3 Ų | 78.3 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 11.2 | -174 | -81.1 | 176.1 | -151.9 | 0 | 0 | 115.2 | A405 E411 | A405-E409 VanDerWaalsContact O-CB 3.23Å; A405-E409 WeakPolarHBondContact O-CB 3.39Å; A405-E409 VanDerWaalsContact O-CG 3.23Å; A405-E409 WeakPolarHBondContact O-CG 3.47Å; A405-E409 PolarHBondContact O-N 3.17Å; E409-E411 PolarHBondContact O-N 3.08Å |
| 410 | G | 46.4 | Very low | 54.5 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 59% | 0.588 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E408 | E408-G410 PolarHBondContact O-N 2.8Š|
| 411 | E | 42.7 | Very low | 51.5 | Low | 109 Ų | 109 | 89.9 Ų | 89.9 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -121 | 17.5 | -168.1 | -52.8 | -162.3 | 151.4 | 0 | 0 | 114.6 | E408 E409 H734 | E408-E411 PolarHBondContact O-N 3.49Å; E408-E411 VanDerWaalsContact O-N 3.14Å; E409-E411 PolarHBondContact O-N 3.08Å; E411-H734 VanDerWaalsContact CD-ND1 3.28Å; E411-H734 WeakPolarHBondContact OE1-CA 3.33Å; E411-H734 WeakPolarHBondContact OE1-CB 3.28Å; E411-H734 IonicContact OE1-CE1 3.92Å; E411-H734 IonicContact OE1-CG 3.45Å; E411-H734 IonicContact OE1-ND1 2.78Å; E411-H734 PolarHBondContact OE1-ND1 3.19Å; E411-H734 IonicContact OE2-CE1 3.55Å; E411-H734 IonicContact OE2-ND1 3.03Å; E411-H734 PolarHBondContact OE2-ND1 3.13Å |
| 412 | S | 36.1 | Very low | 48.9 | Very low | 87 Ų | 87 | 93.2 Ų | 93.2 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | trans | -147.6 | 42.6 | -173.3 | -75.5 | 0 | 0 | 0 | 0 | 116.7 | V414 | S412-V414 PolarHBondContact O-N 2.94Å; S412-V414 VanDerWaalsContact O-N 3.09Å | ||
| 413 | Q | 27.1 | Very low | 46.2 | Very low | 192 Ų | 192 | 97.6 Ų | 97.6 | 90% | 0.897 | 57% | 0.568 | S | S | * | * | trans | -72.8 | 89.2 | 145.3 | -73.5 | -164.9 | 16.6 | 0 | 0 | 108.7 | P415 | Q413-P415 WeakPolarHBondContact O-CD 3.5Š| ||
| 414 | V | 28.1 | Very low | 43.3 | Very low | 122 Ų | 122 | 104.2 Ų | 104.2 | 74% | 0.739 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 120.5 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | S412 A416 | S412-V414 PolarHBondContact O-N 2.94Å; S412-V414 VanDerWaalsContact O-N 3.09Å; V414-A416 PolarHBondContact O-N 3.04Å |
| 415 | P | 27.7 | Very low | 40.7 | Very low | 111 Ų | 111 | 110.6 Ų | 110.6 | 72% | 0.721 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.7 | 174.3 | -24.1 | 34.7 | 0 | 0 | 0 | 109.8 | Q413 L417 | Q413-P415 WeakPolarHBondContact O-CD 3.5Å; P415-L417 PolarHBondContact O-N 3.02Å |
| 416 | A | 27 | Very low | 38.1 | Very low | 79 Ų | 79 | 118.2 Ų | 118.2 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V414 H418 | V414-A416 PolarHBondContact O-N 3.04Å; A416-H418 PolarHBondContact O-CD2 3.1Å; A416-H418 PolarHBondContact O-N 3Å |
| 417 | L | 24.7 | Very low | 35.5 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 88% | 0.88 | 69% | 0.691 | S | S | * | * | trans | -67.8 | 84.9 | 178.8 | -80.1 | 169.7 | 0 | 0 | 0 | 110 | P415 T419 | P415-L417 PolarHBondContact O-N 3.02Å; L417-T419 PolarHBondContact O-N 2.75Å | ||
| 418 | H | 28.2 | Very low | 33 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | -60 | 119.4 | 161.2 | -79.3 | -93.1 | 0 | 0 | 0 | 107.9 | A416 D420 | A416-H418 PolarHBondContact O-CD2 3.1Å; A416-H418 PolarHBondContact O-N 3Å; H418-D420 VanDerWaalsContact C-N 3.34Å; H418-D420 PolarHBondContact O-N 2.9Å | ||
| 419 | T | 27.5 | Very low | 30.7 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -77.4 | 89 | 172.7 | 50.5 | 0 | 0 | 0 | 0 | 108.3 | L417 A421 | L417-T419 PolarHBondContact O-N 2.75Å; T419-A421 PolarHBondContact O-N 3.25Å | ||
| 420 | D | 25.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -61.2 | 130.8 | -179.5 | -88.4 | -26.9 | 0 | 0 | 0 | 112.3 | H418 | H418-D420 VanDerWaalsContact C-N 3.34Å; H418-D420 PolarHBondContact O-N 2.9Å | ||
| 421 | A | 26.5 | Very low | 28.2 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -146.1 | 83.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | T419 | T419-A421 PolarHBondContact O-N 3.25Š| ||
| 422 | A | 29.5 | Very low | 27.4 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | 30.5 | 129.6 | 136 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 423 | D | 30 | Very low | 26.8 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | cis | -156.3 | 166 | 14.5 | -88.5 | -35.1 | 0 | 0 | 0 | 112.7 | ||||
| 424 | D | 27.3 | Very low | 26.7 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 40.5 | 126.7 | 149.5 | -72.3 | -23.7 | 0 | 0 | 0 | 122 | ||||
| 425 | L | 29.2 | Very low | 26.6 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | -171.9 | 134.6 | 90.9 | -94.5 | 175.2 | 0 | 0 | 0 | 114.7 | |||||
| 426 | E | 28 | Very low | 26.4 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 29.8 | 103.3 | 153.2 | -63.7 | -170.3 | 151.8 | 0 | 0 | 122.5 | ||||
| 427 | V | 27.5 | Very low | 26.9 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | 37.5 | 109.6 | 120.2 | -174.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 428 | R | 27.9 | Very low | 26.9 | Very low | 246 Ų | 246 | 137.4 Ų | 137.4 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | -154.7 | 131.1 | 120.8 | -134.8 | 172.1 | -177.8 | 141.4 | 2.3 | 116.2 | |||||
| 429 | D | 23.6 | Very low | 26.7 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | -58 | 141.2 | 164.5 | 164.7 | 45.3 | 0 | 0 | 0 | 113.3 | ||||
| 430 | M | 26.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | trans | -172.3 | 154.6 | 131.4 | -89.5 | -110.5 | 69 | 0 | 0 | 111.5 | ||||
| 431 | S | 22.5 | Very low | 26.6 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -108.8 | 154.7 | -164 | 62.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 432 | A | 25.1 | Very low | 26.9 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 85 | 154 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 433 | T | 24.6 | Very low | 26.6 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 69.1 | 108.2 | 159.3 | 33.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 434 | E | 23.6 | Very low | 26.4 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | 14.6 | 132.6 | 120.8 | -55.1 | 177.2 | 158.4 | 0 | 0 | 119 | |||||
| 435 | V | 26.9 | Very low | 26.2 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | -172.1 | 154.4 | 111.7 | 143.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 436 | D | 22.7 | Very low | 25.9 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -87 | -158.3 | -175.6 | -156.8 | 22.8 | 0 | 0 | 0 | 111.8 | ||||
| 437 | P | 38.4 | Very low | 25.6 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | -122.8 | 166.2 | -117.6 | 39.4 | -21.5 | 0 | 0 | 0 | 115.5 | |||||
| 438 | S | 23.3 | Very low | 25.5 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -158.6 | 132.2 | 158.3 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 439 | E | 24.4 | Very low | 25.2 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 32.4 | 136.2 | 136.1 | -54.8 | -178.3 | 141.5 | 0 | 0 | 119.2 | ||||
| 440 | E | 25.8 | Very low | 25.3 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | cis | -154.4 | -172.1 | 38.9 | -145.7 | 172.2 | -164 | 0 | 0 | 113.8 | ||||
| 441 | R | 24.2 | Very low | 25.1 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -104.5 | 179.3 | -172.6 | -85.6 | 179.9 | -178.8 | 169.9 | 1.6 | 111.2 | ||||
| 442 | P | 33.6 | Very low | 25.2 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | cis | -142.8 | -166.8 | -36.1 | 37.5 | -17.6 | 0 | 0 | 0 | 114.3 | ||||
| 443 | L | 24 | Very low | 25.3 | Very low | 143 Ų | 143 | 146 Ų | 146 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 93.4 | 134.5 | 146.9 | -74.2 | 166.9 | 0 | 0 | 0 | 123 | ||||
| 444 | Q | 25 | Very low | 25.3 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 86.5 | 101.5 | 138.6 | -84.4 | 170.9 | -38.7 | 0 | 0 | 123.4 | ||||
| 445 | N | 23.7 | Very low | 25.5 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | 44.6 | 105.9 | 123.6 | -70 | 20.4 | 0 | 0 | 0 | 121.5 | |||||
| 446 | G | 23.5 | Very low | 25.4 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | 75.6 | 174.9 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 447 | S | 21.4 | Very low | 25.6 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -166 | 141.6 | -9 | -155 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 448 | L | 23.9 | Very low | 25.1 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 65.5 | 164.9 | 169.5 | -48.3 | 175.4 | 0 | 0 | 0 | 113.3 | ||||
| 449 | E | 23.2 | Very low | 25.3 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -161.2 | -175.1 | -16.3 | -118.5 | 163.1 | -178.8 | 0 | 0 | 108.2 | ||||
| 450 | Q | 24 | Very low | 25.4 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 72.9 | 126.5 | 166.3 | -74.9 | 155 | -4 | 0 | 0 | 116.5 | ||||
| 451 | E | 23.9 | Very low | 25.4 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | cis | 98.3 | 159.9 | 38.3 | -74 | 177.1 | 142.3 | 0 | 0 | 112.6 | ||||
| 452 | D | 24.1 | Very low | 25.5 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | 70.6 | 146.8 | 170.4 | -59.8 | -12.3 | 0 | 0 | 0 | 118.7 | ||||
| 453 | E | 26.5 | Very low | 25.2 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | cis | -170 | -178.3 | -27.1 | -111.4 | -91.8 | 80.4 | 0 | 0 | 108.5 | ||||
| 454 | E | 25.2 | Very low | 25.2 | Very low | 128 Ų | 128 | 143 Ų | 143 | 60% | 0.598 | 73% | 0.731 | S | S | * | * | trans | 18.3 | 125.8 | 158.1 | -58.1 | -156.9 | 106.9 | 0 | 0 | 122.9 | K456 | E454-K456 IonicContact OE1-NZ 3.9Å; E454-K456 PolarHBondContact OE1-NZ 2.72Å; E454-K456 IonicContact OE2-NZ 3.99Å; E454-K456 PolarHBondContact OE2-NZ 3.26Å | ||
| 455 | D | 26.8 | Very low | 25.2 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 173 | 135.6 | 104.4 | -96.2 | -22.9 | 0 | 0 | 0 | 110.1 | |||||
| 456 | K | 26.4 | Very low | 25.2 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 60% | 0.6 | 73% | 0.73 | S | S | * | * | 88.9 | 145.7 | 55.5 | -71.9 | -166.2 | -155.1 | 83.2 | 0 | 115.1 | E454 | E454-K456 IonicContact OE1-NZ 3.9Å; E454-K456 PolarHBondContact OE1-NZ 2.72Å; E454-K456 IonicContact OE2-NZ 3.99Å; E454-K456 PolarHBondContact OE2-NZ 3.26Å | |||
| 457 | D | 26.8 | Very low | 25.3 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | 90.6 | 120.3 | 172.6 | -58.1 | -8.4 | 0 | 0 | 0 | 116.7 | ||||
| 458 | E | 26.7 | Very low | 25.4 | Very low | 188 Ų | 188 | 152 Ų | 152 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | cis | 98.5 | 89.2 | 32.8 | -167.2 | 178.8 | -104.6 | 0 | 0 | 114.1 | ||||
| 459 | D | 27.6 | Very low | 25.4 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -166.5 | 163.4 | 141.4 | -133 | -6.9 | 0 | 0 | 0 | 107.6 | ||||
| 460 | G | 26.4 | Very low | 25.4 | Very low | 53 Ų | 53 | 152.3 Ų | 152.3 | 55% | 0.546 | 73% | 0.729 | S | S | . | * | cis | 168.3 | 121.8 | -1.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 461 | R | 26.9 | Very low | 25.5 | Very low | 210 Ų | 210 | 149.3 Ų | 149.3 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | 70.1 | 123.3 | 158.1 | -60.2 | 177.9 | 176 | -102.2 | 2.7 | 119.2 | ||||
| 462 | E | 26.2 | Very low | 25.5 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | 78.7 | 139.9 | 103.9 | -63.9 | -167.8 | 107.9 | 0 | 0 | 115.3 | |||||
| 463 | R | 26.2 | Very low | 25.5 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | cis | -161.7 | 130.7 | 10.3 | -126.5 | 174.1 | -156.2 | -173.3 | 15.9 | 114.2 | ||||
| 464 | V | 25.4 | Very low | 25.4 | Very low | 113 Ų | 113 | 150 Ų | 150 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | 61 | 112.1 | 127.5 | 171 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 465 | R | 24.3 | Very low | 25.4 | Very low | 233 Ų | 233 | 151.2 Ų | 151.2 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | 69.7 | 152.6 | 140.9 | -73.9 | -177.5 | 177 | 173.1 | -1.9 | 118.7 | ||||
| 466 | V | 24.9 | Very low | 25.4 | Very low | 112 Ų | 112 | 152.6 Ų | 152.6 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | cis | -164.6 | 150.4 | 16.4 | 101.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 467 | K | 24.4 | Very low | 25.3 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | trans | 63.6 | 116.3 | 151.6 | -78.6 | 177 | 178.8 | 174.1 | 0 | 124.9 | ||||
| 468 | K | 23.6 | Very low | 25.2 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | 81.3 | 113.7 | 104.2 | -169.9 | -149.5 | 178.4 | -166.9 | 0 | 121 | |||||
| 469 | Q | 24.9 | Very low | 25.1 | Very low | 165 Ų | 165 | 150 Ų | 150 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | -170.1 | 134.6 | 116.9 | -106.8 | 168.1 | -42.3 | 0 | 0 | 114.3 | |||||
| 470 | N | 22.8 | Very low | 25 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | trans | 34.8 | 147.1 | 135.3 | -64.3 | 47.5 | 0 | 0 | 0 | 121.7 | ||||
| 471 | S | 24.9 | Very low | 24.9 | Very low | 97 Ų | 97 | 156.4 Ų | 156.4 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -158.8 | 153.5 | 6.2 | 44.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 472 | E | 24.8 | Very low | 24.8 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | trans | -0.5 | 140.4 | 144.6 | -62.7 | 133.3 | -171.4 | 0 | 0 | 119 | ||||
| 473 | E | 24.3 | Very low | 24.7 | Very low | 185 Ų | 185 | 156.1 Ų | 156.1 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | 75.2 | 97.6 | 48.6 | -73.7 | -159.6 | 158.7 | 0 | 0 | 117.1 | ||||
| 474 | D | 24.2 | Very low | 24.7 | Very low | 133 Ų | 133 | 159 Ų | 159 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | 64.7 | 145.3 | 117.7 | -130.1 | 20.7 | 0 | 0 | 0 | 125.1 | |||||
| 475 | Q | 25.3 | Very low | 24.7 | Very low | 154 Ų | 154 | 160.4 Ų | 160.4 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | 64.2 | 137 | 152.5 | -74.4 | 172 | 59.6 | 0 | 0 | 124.5 | ||||
| 476 | H | 26.3 | Very low | 24.7 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | trans | 174.1 | 160.2 | 133.6 | -93.3 | -17.4 | 0 | 0 | 0 | 110.1 | ||||
| 477 | K | 25 | Very low | 24.9 | Very low | 161 Ų | 161 | 162.8 Ų | 162.8 | 70% | 0.7 | 77% | 0.765 | S | S | * | * | cis | -151.7 | 147.9 | -2.9 | -118.6 | 154.1 | 176.5 | 146.4 | 0 | 107.7 | ||||
| 478 | A | 23.6 | Very low | 25 | Very low | 79 Ų | 79 | 162.8 Ų | 162.8 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | 56.5 | 145.7 | 95.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 479 | E | 24.5 | Very low | 25.4 | Very low | 182 Ų | 182 | 164.1 Ų | 164.1 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | cis | -163.4 | -172.9 | -7.7 | -121.3 | 177.2 | 137 | 0 | 0 | 110.1 | ||||
| 480 | E | 25.9 | Very low | 25.7 | Very low | 186 Ų | 186 | 162 Ų | 162 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | 68.4 | 153.1 | 171.1 | -55.6 | -167 | 137.6 | 0 | 0 | 117.6 | ||||
| 481 | E | 24.9 | Very low | 26.5 | Very low | 160 Ų | 160 | 166.7 Ų | 166.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | cis | -139.7 | -161.8 | -5.8 | -135.7 | -126.1 | 120.4 | 0 | 0 | 112.6 | ||||
| 482 | K | 24.5 | Very low | 27.2 | Very low | 167 Ų | 167 | 166 Ų | 166 | 73% | 0.726 | 76% | 0.762 | S | S | * | * | trans | -100.5 | 155.5 | -156.2 | -78.6 | 166.2 | -175.9 | 149 | 0 | 117.7 | ||||
| 483 | Q | 25.1 | Very low | 27.7 | Very low | 157 Ų | 157 | 161.7 Ų | 161.7 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 64.7 | 106.2 | 154.2 | -70.7 | -178.4 | 31.2 | 0 | 0 | 120.6 | ||||
| 484 | R | 25.9 | Very low | 28.5 | Very low | 258 Ų | 258 | 163.1 Ų | 163.1 | 97% | 0.974 | 75% | 0.748 | S | S | * | * | -135.3 | 144.9 | 107.1 | -104.2 | 179.2 | 177.7 | -166.6 | -1.7 | 110 | |||||
| 485 | Q | 24.3 | Very low | 28.9 | Very low | 142 Ų | 142 | 165 Ų | 165 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -105.8 | 166.5 | -163.7 | -63 | -178.3 | -11.1 | 0 | 0 | 114.7 | ||||
| 486 | K | 25.2 | Very low | 29.5 | Very low | 188 Ų | 188 | 167.2 Ų | 167.2 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | 89.5 | 144.1 | 161.8 | -55 | 178.1 | -178.4 | 177.4 | 0 | 116.6 | ||||
| 487 | K | 28.5 | Very low | 29.7 | Very low | 207 Ų | 207 | 171.3 Ų | 171.3 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | trans | 60.8 | 88.4 | -171.7 | -54.4 | -179.5 | -178 | -178.4 | 0 | 112.2 | ||||
| 488 | K | 25.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 175.3 Ų | 175.3 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | cis | 59 | 101.7 | 41 | -85.3 | -157.7 | 176.2 | -173.7 | 0 | 114.9 | ||||
| 489 | Y | 32.5 | Very low | 30.3 | Very low | 192 Ų | 192 | 183 Ų | 183 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 51.7 | 115.7 | 146.5 | -53.4 | -66.6 | 0 | 0 | 0 | 121.5 | ||||
| 490 | T | 31.5 | Very low | 30.5 | Very low | 119 Ų | 119 | 180 Ų | 180 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | 178.1 | 114.3 | 117.3 | -69.6 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 491 | R | 39.1 | Very low | 30.6 | Very low | 228 Ų | 228 | 175.9 Ų | 175.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -148.6 | 12.4 | -173.5 | -131 | -179.6 | -168.9 | -175.4 | 3.9 | 118.6 | ||||
| 492 | L | 40 | Very low | 30.7 | Very low | 81 Ų | 81 | 176.9 Ų | 176.9 | 42% | 0.424 | 79% | 0.791 | S | S | . | * | S | Bend | trans | -82.5 | -24.4 | 173.1 | -94.1 | 160.6 | 0 | 0 | 0 | 113.6 | R494 I1003 E1007 | L492-R494 PolarHBondContact O-N 2.83Å; L492-I1003 HydrophobicContact CD1-CG2 3.92Å; L492-E1007 HydrophobicContact CD2-CG 3.8Å |
| 493 | S | 35.3 | Very low | 31.1 | Very low | 77 Ų | 77 | 178 Ų | 178 | 54% | 0.538 | 80% | 0.795 | S | S | . | * | S | Bend | trans | -87 | 5.1 | -177.8 | 55.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 494 | R | 40.3 | Very low | 31.3 | Very low | 215 Ų | 215 | 174.2 Ų | 174.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -138.4 | 71.2 | -174.3 | -65.6 | -169.3 | -177 | -166.8 | 1.1 | 113.5 | L492 | L492-R494 PolarHBondContact O-N 2.83Š| ||
| 495 | L | 32.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 165.5 Ų | 165.5 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -139 | 64.5 | 165.8 | -151.4 | 78.2 | 0 | 0 | 0 | 113.2 | ||||
| 496 | R | 38.2 | Very low | 31.5 | Very low | 202 Ų | 202 | 166.6 Ų | 166.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -131.3 | 136.1 | 161.8 | -77.2 | -173.5 | 175 | 154 | 5.5 | 110.2 | ||||
| 497 | R | 31.4 | Very low | 31.5 | Very low | 243 Ų | 243 | 160.5 Ų | 160.5 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 80.3 | 130.2 | 173.9 | -55.7 | -177.9 | 176 | -178.4 | -1.2 | 118.2 | ||
| 498 | R | 32.1 | Very low | 31.8 | Very low | 245 Ų | 245 | 158 Ų | 158 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | 77.3 | 105.9 | 153.9 | -68.7 | 179 | 175.9 | 177.2 | -1.7 | 121.7 | ||||
| 499 | R | 27.7 | Very low | 32.1 | Very low | 241 Ų | 241 | 156.3 Ų | 156.3 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | -134.1 | 142 | 125.2 | -97 | -165.2 | -72.1 | -168.8 | -0.9 | 106.1 | |||||
| 500 | C | 29.4 | Very low | 32 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | cis | -135.1 | 165.4 | -3.9 | -78 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 501 | A | 27.8 | Very low | 32 | Very low | 101 Ų | 101 | 154.6 Ų | 154.6 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -151.2 | 140.1 | 157 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 502 | H | 28.4 | Very low | 31.7 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -145.7 | 155.1 | 168 | -151.1 | 75.3 | 0 | 0 | 0 | 111.8 | ||||
| 503 | K | 32.6 | Very low | 31.2 | Very low | 190 Ų | 190 | 153.4 Ų | 153.4 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -65.2 | 161.9 | -168.5 | -62.3 | 175.8 | 169.3 | -169.7 | 0 | 114.4 | ||||
| 504 | G | 28 | Very low | 30.9 | Very low | 78 Ų | 78 | 153.8 Ų | 153.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | 150.6 | -174.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 505 | G | 24.8 | Very low | 30.3 | Very low | 75 Ų | 75 | 151.9 Ų | 151.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 98.1 | 136.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 506 | Q | 29.2 | Very low | 30 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | cis | -155.9 | 176.9 | -9.6 | -118 | 169.4 | -65.3 | 0 | 0 | 106.3 | E508 | Q506-E508 PolarHBondContact NE2-OE1 3.03Š| ||
| 507 | G | 27.1 | Very low | 29.5 | Very low | 60 Ų | 60 | 145.1 Ų | 145.1 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | cis | -79.2 | -150.1 | -0 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 508 | E | 32.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | 77.8 | 115.9 | 7.2 | -62 | 159.8 | -130.5 | 0 | 0 | 117.7 | Q506 | Q506-E508 PolarHBondContact NE2-OE1 3.03Š| ||
| 509 | D | 32.6 | Very low | 29.1 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | cis | -161.1 | -164.2 | -26.8 | -119.3 | -51.9 | 0 | 0 | 0 | 108.4 | ||||
| 510 | E | 31.1 | Very low | 29.2 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | cis | -153.9 | 170.4 | 15.2 | -153.5 | 172.4 | -155.4 | 0 | 0 | 111 | ||||
| 511 | S | 32 | Very low | 29.1 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -152.5 | 176.2 | 170.1 | 78 | 0 | 0 | 0 | 0 | 111 | ||||
| 512 | D | 32.4 | Very low | 29.1 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | cis | -149.3 | -171.5 | 15.1 | -119.7 | -60.7 | 0 | 0 | 0 | 108.5 | ||||
| 513 | L | 28.8 | Very low | 29.5 | Very low | 149 Ų | 149 | 138 Ų | 138 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | 171.4 | 145.6 | 86.2 | -79.5 | 172.2 | 0 | 0 | 0 | 108.1 | |||||
| 514 | S | 30.1 | Very low | 29.5 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | 59.2 | 144.2 | 74.8 | -97 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 515 | E | 26.8 | Very low | 29.7 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | -164.9 | 173.6 | -2.4 | -121.7 | 161.6 | -69.1 | 0 | 0 | 107.6 | ||||
| 516 | G | 27.3 | Very low | 30.1 | Very low | 61 Ų | 61 | 144.7 Ų | 144.7 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | 161.6 | 158.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 517 | F | 26.6 | Very low | 30.3 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | trans | 74.5 | 129.4 | 163.6 | -83.4 | -125.3 | 0 | 0 | 0 | 119.2 | ||||
| 518 | E | 26.6 | Very low | 30.3 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | 72.7 | 147.2 | 104.8 | -67.8 | -170.7 | 168.8 | 0 | 0 | 115.9 | |||||
| 519 | S | 28.8 | Very low | 30.1 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | cis | -165.3 | 179.2 | -17.7 | -91.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 520 | E | 30.7 | Very low | 29.9 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -41.3 | 156.4 | -178.2 | -58.8 | 160.5 | 150.9 | 0 | 0 | 119.7 | ||||
| 521 | E | 26.6 | Very low | 29.7 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -176.2 | 111.9 | 136.3 | -105.1 | 171.4 | -150.4 | 0 | 0 | 114.5 | ||||
| 522 | D | 28.9 | Very low | 29.7 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 47.2 | 168.6 | 139.8 | -60.6 | -3.4 | 0 | 0 | 0 | 126.6 | ||||
| 523 | E | 36.3 | Very low | 29.8 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -109.1 | 163.5 | -167.1 | -53.7 | -177.5 | 139.8 | 0 | 0 | 114.5 | ||||
| 524 | E | 31.5 | Very low | 29.8 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | 160 | 137 | 127.5 | -86.2 | -174.7 | 171.5 | 0 | 0 | 115.4 | |||||
| 525 | D | 32.1 | Very low | 29.9 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 43.2 | 98.7 | 150 | -67.3 | 8.1 | 0 | 0 | 0 | 125.8 | ||||
| 526 | D | 34.2 | Very low | 30.1 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | 48.8 | 161.2 | 110.4 | -143.7 | 10.6 | 0 | 0 | 0 | 126 | |||||
| 527 | E | 33.4 | Very low | 30 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | 63.1 | 111.6 | 165.7 | -81.2 | -117.7 | 112.3 | 0 | 0 | 121.7 | ||||
| 528 | G | 27.5 | Very low | 30 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | 126.2 | 122.4 | 121.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 529 | G | 27.7 | Very low | 30 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 145.3 | 130.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 530 | R | 27.9 | Very low | 30.6 | Very low | 248 Ų | 248 | 143.9 Ų | 143.9 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -125.5 | 156 | 177.1 | -65.8 | 176.1 | 173.7 | 176.8 | -2.3 | 111.3 | ||||
| 531 | V | 28.1 | Very low | 30.5 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | 152.5 | 110.3 | 146.7 | 155 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 532 | R | 30.7 | Very low | 30.5 | Very low | 240 Ų | 240 | 139.5 Ų | 139.5 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | 59.8 | 144.4 | 78.7 | -81.7 | -166.5 | 170.3 | -169.2 | -2.1 | 115.2 | |||||
| 533 | A | 35.8 | Very low | 30.1 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | cis | -177.2 | 141.4 | -24.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 534 | D | 27.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -167.9 | 153.7 | 151.6 | -130.4 | -16.7 | 0 | 0 | 0 | 107.4 | ||||
| 535 | S | 32.5 | Very low | 30.6 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 56% | 0.559 | 80% | 0.801 | S | S | * | * | cis | -150.1 | 156.5 | 3.1 | -154.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 536 | T | 31.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 136 Ų | 136 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | 28.7 | 140.8 | 149.9 | 49.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 537 | G | 25.8 | Very low | 31.1 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | 165.1 | 167.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 538 | G | 25.8 | Very low | 30.7 | Very low | 64 Ų | 64 | 129.8 Ų | 129.8 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 172.3 | 140.3 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 539 | T | 26.5 | Very low | 30.7 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 58.3 | 160.5 | 152.7 | 45.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 540 | P | 42.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -109.6 | -150.9 | -6.3 | 18.7 | 7.4 | 0 | 0 | 0 | 110.2 | ||||
| 541 | V | 27.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | -149.6 | 132.7 | 9.6 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 542 | D | 26.2 | Very low | 30.8 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | 44.7 | 170.9 | 153.6 | -58.3 | -6.4 | 0 | 0 | 0 | 124.5 | ||||
| 543 | E | 20.5 | Very low | 30.6 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | -112.6 | -140.3 | -165.3 | -165.4 | -162.8 | -142.7 | 0 | 0 | 111.2 | ||||
| 544 | P | 52 | Low | 30.2 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | -96.6 | 170.6 | -127.4 | 39.8 | -28.6 | 0 | 0 | 0 | 115.1 | |||||
| 545 | L | 26.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 94% | 0.942 | 74% | 0.742 | S | S | * | * | trans | -168 | 155.9 | 138.8 | -107.1 | 167 | 0 | 0 | 0 | 114.4 | ||||
| 546 | N | 25.1 | Very low | 29.9 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -105.1 | -175.2 | 169.2 | -141.8 | -6.2 | 0 | 0 | 0 | 107.1 | ||||
| 547 | P | 51.8 | Low | 29.6 | Very low | 101 Ų | 101 | 133 Ų | 133 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | cis | -135.3 | 172.1 | -18.7 | 41.9 | -26.1 | 0 | 0 | 0 | 115.1 | ||||
| 548 | S | 26 | Very low | 29.6 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -169.8 | 120 | 145.2 | 2.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 549 | S | 27.5 | Very low | 29.6 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | 44 | 114 | 87 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 550 | V | 29.7 | Very low | 29.5 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | -153.7 | 126.5 | 65.8 | 142.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 551 | K | 28.4 | Very low | 28.8 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | 54.4 | 137.1 | 94.8 | -92.7 | 179.4 | -174.3 | 175.5 | 0 | 113.5 | |||||
| 552 | K | 27.9 | Very low | 28.6 | Very low | 160 Ų | 160 | 142 Ų | 142 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | cis | -156.6 | 116.1 | -1.2 | -167.7 | 168.9 | -170.5 | -161.3 | 0 | 106.9 | ||||
| 553 | E | 25.3 | Very low | 28.5 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | 65.4 | 116.8 | 85.3 | -146.6 | -155.4 | 163.5 | 0 | 0 | 113.8 | |||||
| 554 | T | 26.9 | Very low | 28.7 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 61% | 0.613 | 75% | 0.748 | S | S | * | * | trans | 68.4 | 164.5 | 143.1 | 56 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 555 | K | 27.7 | Very low | 27.3 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -143.1 | 145.6 | 8.8 | -141.5 | 158.4 | 175.5 | -121.2 | 0 | 108.9 | D557 | K555-D557 IonicContact NZ-OD1 2.72Å; K555-D557 PolarHBondContact NZ-OD1 3.48Å; K555-D557 IonicContact NZ-OD2 3.44Å; K555-D557 PolarHBondContact NZ-OD2 2.88Å | ||
| 556 | R | 27.7 | Very low | 27.1 | Very low | 220 Ų | 220 | 138.3 Ų | 138.3 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | 48.7 | 128.1 | 62.7 | -111 | -167.4 | -170.5 | -176.9 | 3.7 | 110.3 | |||||
| 557 | D | 24.4 | Very low | 27 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | -155.8 | 169.2 | 72.7 | -72.9 | -40.6 | 0 | 0 | 0 | 107.3 | K555 | K555-D557 IonicContact NZ-OD1 2.72Å; K555-D557 PolarHBondContact NZ-OD1 3.48Å; K555-D557 IonicContact NZ-OD2 3.44Å; K555-D557 PolarHBondContact NZ-OD2 2.88Å | |||
| 558 | G | 25.3 | Very low | 25.7 | Very low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | cis | 132.4 | 160.6 | 6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 559 | L | 26.7 | Very low | 25.6 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 98% | 0.979 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 135.3 | -173.7 | -47.3 | 172.9 | 0 | 0 | 0 | 115 | ||||
| 560 | G | 24.5 | Very low | 25.5 | Very low | 64 Ų | 64 | 140.5 Ų | 140.5 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | 150.5 | 150.4 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 561 | E | 26.5 | Very low | 25.3 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | 65.8 | 112 | 175.2 | -56.9 | 179.2 | 157.1 | 0 | 0 | 114.1 | ||||
| 562 | E | 24.9 | Very low | 25 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | 88.6 | 127.8 | 53.1 | -74.3 | -159.9 | 164.6 | 0 | 0 | 114.7 | |||||
| 563 | G | 24.3 | Very low | 24.9 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 167.4 | 94.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 564 | S | 22.7 | Very low | 25 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | -71.4 | 152.4 | -178.8 | 175.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 565 | W | 23 | Very low | 24.9 | Very low | 215 Ų | 215 | 141.3 Ų | 141.3 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | 162 | 136.9 | 112.5 | -86.9 | 96.3 | 0 | 0 | 0 | 113.2 | |||||
| 566 | E | 22.1 | Very low | 24.9 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | trans | 65.1 | 123 | 154.1 | -87.2 | 165 | -171.9 | 0 | 0 | 124.5 | ||||
| 567 | S | 24.4 | Very low | 24.7 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 69.8 | 123.4 | 130.9 | -59.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 568 | G | 24.7 | Very low | 24.7 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 155.1 | 74.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 569 | S | 24.3 | Very low | 24.7 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -143.4 | 86 | -177.1 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 570 | E | 24.7 | Very low | 24.9 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -137.2 | 114.4 | 158 | -63 | 178.3 | 157.8 | 0 | 0 | 102.5 | ||||
| 571 | E | 24.1 | Very low | 25 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | 62.4 | 97.1 | 53.8 | -62 | -161.7 | 171.5 | 0 | 0 | 113 | |||||
| 572 | E | 24.1 | Very low | 25.3 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -132.6 | 119.9 | 162.2 | -157 | 173.9 | -134 | 0 | 0 | 107.5 | ||||
| 573 | E | 24.7 | Very low | 25.9 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -89.1 | 151.5 | -174.3 | -72.1 | -168.8 | 103.2 | 0 | 0 | 113.1 | G575 | E573-G575 PolarHBondContact O-N 2.81Š| ||
| 574 | G | 28.4 | Very low | 26.5 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | 82.4 | 14.4 | 125.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | T576 | G574-T576 PolarHBondContact O-N 3.03Å; G574-T576 VanDerWaalsContact O-N 3.17Å | |||
| 575 | G | 23.2 | Very low | 27 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -75 | 95.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E573 A577 | E573-G575 PolarHBondContact O-N 2.81Å; G575-A577 PolarHBondContact O-N 2.99Å; G575-A577 VanDerWaalsContact O-N 3.12Å | ||
| 576 | T | 29.3 | Very low | 27.9 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 92% | 0.92 | 73% | 0.725 | S | S | * | * | trans | -80 | 86.2 | 175.6 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | G574 | G574-T576 PolarHBondContact O-N 3.03Å; G574-T576 VanDerWaalsContact O-N 3.17Å | ||
| 577 | A | 22.8 | Very low | 28.9 | Very low | 83 Ų | 83 | 117.8 Ų | 117.8 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | trans | -107.4 | 127.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G575 | G575-A577 PolarHBondContact O-N 2.99Å; G575-A577 VanDerWaalsContact O-N 3.12Å | ||
| 578 | F | 24.1 | Very low | 29.5 | Very low | 168 Ų | 168 | 114.6 Ų | 114.6 | 74% | 0.737 | 67% | 0.669 | S | S | * | * | trans | 44.1 | 89.6 | 153.9 | -71 | -87.7 | 0 | 0 | 0 | 119.7 | V580 | F578-V580 HydrophobicContact CB-CG2 4.21Å; F578-V580 HydrophobicContact CD1-CG2 3.87Å; F578-V580 PolarHBondContact O-N 3.2Å | ||
| 579 | D | 26.1 | Very low | 30 | Very low | 150 Ų | 150 | 115.1 Ų | 115.1 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | trans | -77.1 | 94.5 | 153.6 | -177 | 5.6 | 0 | 0 | 0 | 109.8 | ||||
| 580 | V | 31 | Very low | 30.8 | Very low | 90 Ų | 90 | 111 Ų | 111 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | trans | -125.4 | 51.8 | 173 | -169.1 | 0 | 0 | 0 | 0 | 109.2 | F578 T582 | F578-V580 HydrophobicContact CB-CG2 4.21Å; F578-V580 HydrophobicContact CD1-CG2 3.87Å; F578-V580 PolarHBondContact O-N 3.2Å; V580-T582 PolarHBondContact O-N 3.19Å | ||
| 581 | E | 26.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 103.4 Ų | 103.4 | 79% | 0.794 | 59% | 0.586 | S | S | * | * | trans | -67.6 | 125.5 | 166.5 | -66.9 | -156.3 | 148.4 | 0 | 0 | 110.3 | D583 | E581-D583 PolarHBondContact O-N 2.96Š| ||
| 582 | T | 32.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 103.8 Ų | 103.8 | 72% | 0.718 | 58% | 0.58 | S | S | * | * | trans | -81.7 | 101.5 | 179.9 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | V580 S584 | V580-T582 PolarHBondContact O-N 3.19Å; T582-S584 WeakPolarHBondContact O-CB 3.38Å; T582-S584 PolarHBondContact O-N 2.97Å; T582-S584 PolarHBondContact O-OG 3.05Å | ||
| 583 | D | 35.9 | Very low | 32.8 | Very low | 105 Ų | 105 | 96.7 Ų | 96.7 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | trans | -48 | 64.5 | -180 | -92.7 | -41.7 | 0 | 0 | 0 | 115.1 | K255 E581 | K255-D583 IonicContact NZ-OD2 3.01Å; K255-D583 PolarHBondContact NZ-OD2 2.69Å; E581-D583 PolarHBondContact O-N 2.96Å | ||
| 584 | S | 38.8 | Very low | 33.5 | Very low | 44 Ų | 44 | 92.2 Ų | 92.2 | 31% | 0.308 | 54% | 0.535 | S | S | . | . | trans | -121 | 3 | -165.5 | 60.8 | 0 | 0 | 0 | 0 | 115 | T582 M586 | T582-S584 WeakPolarHBondContact O-CB 3.38Å; T582-S584 PolarHBondContact O-N 2.97Å; T582-S584 PolarHBondContact O-OG 3.05Å; S584-M586 PolarHBondContact O-N 3.33Å | ||
| 585 | D | 31.4 | Very low | 33.7 | Very low | 120 Ų | 120 | 93.3 Ų | 93.3 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -69.8 | -11.3 | 174.4 | -89.7 | -11.6 | 0 | 0 | 0 | 114.3 | N587 S588 | D585-N587 PolarHBondContact O-N 2.91Å; D585-S588 WeakPolarHBondContact O-CB 3.46Å; D585-S588 PolarHBondContact O-N 3.14Å; D585-S588 VanDerWaalsContact O-N 3.08Å; D585-S588 PolarHBondContact O-OG 2.68Å |
| 586 | M | 43.6 | Very low | 34.1 | Very low | 34 Ų | 34 | 98.1 Ų | 98.1 | 17% | 0.167 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -53.2 | -21.3 | -179.6 | -56.3 | -60.6 | 172.8 | 0 | 0 | 114.3 | N248 R251 S584 | N248-M586 PolarHBondContact OD1-SD 3.31Å; N248-M586 VanDerWaalsContact OD1-SD 3.39Å; R251-M586 HydrophobicContact CB-CE 4.13Å; R251-M586 WeakPolarHBondContact CD-SD 3.4Å; S584-M586 PolarHBondContact O-N 3.33Å |
| 587 | N | 41.5 | Very low | 34.3 | Very low | 7 Ų | 7 | 98.6 Ų | 98.6 | 4% | 0.037 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -92.9 | -16.1 | -174.8 | -170.2 | -97.9 | 0 | 0 | 0 | 113.8 | Y85 Y181 D585 Q589 E590 | Y85-N587 WeakPolarHBondContact CE2-OD1 3.37Å; Y85-N587 PolarHBondContact OH-O 3.39Å; Y85-N587 VanDerWaalsContact OH-O 3.07Å; Y85-N587 PolarHBondContact OH-OD1 3.13Å; Y181-N587 PolarHBondContact OH-OD1 2.92Å; D585-N587 PolarHBondContact O-N 2.91Å; N587-Q589 PolarHBondContact O-N 3.18Å; N587-E590 PolarHBondContact ND2-OE2 3.31Å; N587-E590 WeakPolarHBondContact O-CB 3.38Å; N587-E590 PolarHBondContact O-N 3Å |
| 588 | S | 36.9 | Very low | 34.6 | Very low | 52 Ų | 52 | 103.5 Ų | 103.5 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -6.7 | -169.5 | 61.7 | 0 | 0 | 0 | 0 | 116.6 | D585 | D585-S588 WeakPolarHBondContact O-CB 3.46Å; D585-S588 PolarHBondContact O-N 3.14Å; D585-S588 VanDerWaalsContact O-N 3.08Å; D585-S588 PolarHBondContact O-OG 2.68Å |
| 589 | Q | 36 | Very low | 35 | Very low | 92 Ų | 92 | 103.9 Ų | 103.9 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -8.1 | -179.5 | -61.2 | -176.3 | -95.9 | 0 | 0 | 113.6 | N587 S591 R592 | N587-Q589 PolarHBondContact O-N 3.18Å; Q589-S591 PolarHBondContact O-N 3.39Å; Q589-R592 PolarHBondContact O-N 2.73Å; Q589-R592 VanDerWaalsContact O-N 3.16Å |
| 590 | E | 42.2 | Very low | 35.3 | Very low | 26 Ų | 26 | 104.4 Ų | 104.4 | 12% | 0.121 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -5.2 | -171.6 | -161.7 | 173.6 | -175.4 | 0 | 0 | 115 | Q214 F242 N587 | Q214-E590 VanDerWaalsContact NE2-CD 3.27Å; Q214-E590 PolarHBondContact NE2-OE1 3.08Å; Q214-E590 PolarHBondContact NE2-OE2 3.16Å; Q214-E590 PolarHBondContact OE1-OE1 3.04Å; F242-E590 HydrophobicContact CZ-CG 4.45Å; N587-E590 PolarHBondContact ND2-OE2 3.31Å; N587-E590 WeakPolarHBondContact O-CB 3.38Å; N587-E590 PolarHBondContact O-N 3Å |
| 591 | S | 37 | Very low | 35.2 | Very low | 31 Ų | 31 | 106.9 Ų | 106.9 | 22% | 0.217 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -129.4 | 24 | 178.7 | -67.8 | 0 | 0 | 0 | 0 | 113.6 | R81 Q589 | R81-S591 PolarHBondContact NH1-O 2.94Å; Q589-S591 PolarHBondContact O-N 3.39Å |
| 592 | R | 39.5 | Very low | 35.3 | Very low | 198 Ų | 198 | 107.6 Ų | 107.6 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | -24.6 | -174.5 | -87.8 | -179.5 | 158.1 | 161.9 | -7.1 | 116.6 | Q589 | Q589-R592 PolarHBondContact O-N 2.73Å; Q589-R592 VanDerWaalsContact O-N 3.16Å |
| 593 | S | 37.5 | Very low | 35 | Very low | 53 Ų | 53 | 109.5 Ų | 109.5 | 37% | 0.371 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -70.9 | -37 | -174.4 | 44.1 | 0 | 0 | 0 | 0 | 114.7 | L595 | S593-L595 PolarHBondContact O-N 2.9Š|
| 594 | D | 38.6 | Very low | 34.5 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -80.4 | 17.2 | -164.2 | -67 | 34.5 | 0 | 0 | 0 | 114.6 | R73 | R73-D594 IonicContact CZ-OD2 3.52Å; R73-D594 IonicContact NH2-OD2 2.86Å; R73-D594 PolarHBondContact NH2-OD2 2.65Å |
| 595 | L | 33.6 | Very low | 33.9 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -116.8 | -6.3 | -166.6 | -92.6 | 169.3 | 0 | 0 | 0 | 116.2 | S593 | S593-L595 PolarHBondContact O-N 2.9Š|
| 596 | E | 31.5 | Very low | 33.7 | Very low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -90.7 | -24.5 | -175.6 | -62.4 | -172.4 | 167.7 | 0 | 0 | 113.5 | M598 | E596-M598 PolarHBondContact O-N 3.41Š|
| 597 | D | 32.6 | Very low | 32.9 | Very low | 161 Ų | 161 | 119 Ų | 119 | 86% | 0.861 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 53.1 | -179.1 | -76.2 | -37 | 0 | 0 | 0 | 114.4 | ||
| 598 | M | 30.8 | Very low | 32.2 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 91% | 0.911 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161 | 8.2 | 161.7 | -130.4 | 164.2 | -101.2 | 0 | 0 | 118.5 | E596 | E596-M598 PolarHBondContact O-N 3.41Š|
| 599 | E | 31.4 | Very low | 31.5 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -104.4 | 82.5 | 174.4 | -67.6 | -165.4 | 167.5 | 0 | 0 | 111.8 | ||||
| 600 | D | 32.7 | Very low | 31.4 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | 173.4 | 84.7 | 140.8 | -97.3 | -17.8 | 0 | 0 | 0 | 113.3 | ||||
| 601 | T | 28.7 | Very low | 30.6 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -151.8 | 78.8 | 159.9 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 602 | E | 28.3 | Very low | 30.1 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -161 | 116.3 | 150.5 | -123.3 | 175.8 | -142.7 | 0 | 0 | 113.5 | ||
| 603 | N | 26.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 48 | 108.6 | 162.4 | -70.6 | -25.1 | 0 | 0 | 0 | 121.3 | ||||
| 604 | S | 25.9 | Very low | 28.9 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | -148.1 | 157.8 | 117.8 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 605 | D | 26.7 | Very low | 28.2 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -129.8 | 149.2 | -166.1 | -175.2 | 15.9 | 0 | 0 | 0 | 111.1 | ||||
| 606 | S | 25.9 | Very low | 27.9 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 59.7 | 140.7 | -175.9 | 68.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 607 | T | 26.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | -167.2 | 149.3 | 53.5 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 608 | E | 27 | Very low | 27.3 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 17.2 | 140 | 160.6 | -56.8 | 179.7 | 150.1 | 0 | 0 | 123.4 | ||||
| 609 | G | 21.3 | Very low | 27 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -85.8 | -153.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 610 | P | 35.6 | Very low | 26.8 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -141.5 | 178.2 | 30.8 | 43.6 | -26 | 0 | 0 | 0 | 117.3 | ||||
| 611 | A | 25.5 | Very low | 26.4 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 41.2 | 145.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 612 | R | 25.8 | Very low | 26.5 | Very low | 208 Ų | 208 | 141 Ų | 141 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | cis | -161.5 | 174.5 | 12.1 | -116.5 | 159.2 | 170.1 | -149.7 | 12.5 | 106.3 | ||||
| 613 | E | 25 | Very low | 26.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 59% | 0.589 | 78% | 0.777 | S | S | * | * | cis | -157.5 | 141.4 | 27 | -126.3 | 138.1 | -139.2 | 0 | 0 | 107.4 | ||||
| 614 | Q | 25.8 | Very low | 26.3 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 56.1 | 138.8 | 110.8 | -62.5 | -173.5 | -25.5 | 0 | 0 | 117.3 | |||||
| 615 | Q | 25.3 | Very low | 26.5 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | -164.6 | 164.7 | 0.8 | -111.9 | 163.8 | -21.6 | 0 | 0 | 107.6 | ||||
| 616 | G | 25.8 | Very low | 26.5 | Very low | 58 Ų | 58 | 145.9 Ų | 145.9 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | cis | -150.4 | 166.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 617 | E | 26.9 | Very low | 26.4 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | 71.2 | 132.8 | 81.8 | -64 | 171.8 | 172.3 | 0 | 0 | 112.3 | |||||
| 618 | E | 25.1 | Very low | 26.6 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | cis | -131.6 | 131.4 | 21.5 | -68.7 | -175.8 | 130.4 | 0 | 0 | 113 | ||||
| 619 | V | 25.7 | Very low | 26.6 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | 84.5 | 113 | 100.8 | 178.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 620 | E | 25.7 | Very low | 27.1 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -143.8 | 132.4 | 162.9 | -178.3 | -177.6 | -122.3 | 0 | 0 | 109.4 | ||||
| 621 | Q | 24.7 | Very low | 26.7 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 170.9 | 161.4 | 162.5 | -104.2 | 178.1 | 39.9 | 0 | 0 | 110 | ||||
| 622 | P | 30.6 | Very low | 26.7 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -124.7 | -177 | -32.7 | 37.9 | -23.7 | 0 | 0 | 0 | 111.4 | ||||
| 623 | R | 24.2 | Very low | 26.7 | Very low | 248 Ų | 248 | 151.6 Ų | 151.6 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | trans | -131.4 | 147.1 | 158 | -80.1 | -170 | 172.4 | -171.9 | -1.6 | 110.5 | ||||
| 624 | E | 26.9 | Very low | 26.9 | Very low | 195 Ų | 195 | 151.3 Ų | 151.3 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -84.8 | 156.7 | -173.4 | -60.7 | 173.9 | 122.5 | 0 | 0 | 112.6 | ||||
| 625 | E | 29.9 | Very low | 26.9 | Very low | 201 Ų | 201 | 150 Ų | 150 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -74.2 | 147 | 170.9 | -59.4 | -179.6 | 125.3 | 0 | 0 | 111.2 | ||||
| 626 | G | 26.3 | Very low | 27 | Very low | 81 Ų | 81 | 148.1 Ų | 148.1 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -160.7 | 23.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 627 | G | 24.9 | Very low | 27.1 | Very low | 78 Ų | 78 | 151.8 Ų | 151.8 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 80.3 | 141.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 628 | D | 30.3 | Very low | 27.5 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -69.2 | 147.7 | 174.8 | -64.8 | -60.6 | 0 | 0 | 0 | 114.2 | ||||
| 629 | R | 27 | Very low | 27.5 | Very low | 247 Ų | 247 | 145.5 Ų | 145.5 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -166.8 | 133 | 146.3 | -108.2 | 157.9 | -164.3 | -121.8 | -0.5 | 111.8 | ||||
| 630 | D | 31.3 | Very low | 27.8 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -67.5 | 138.3 | 173.6 | -54.6 | -85.1 | 0 | 0 | 0 | 112.5 | ||||
| 631 | G | 28.4 | Very low | 28 | Very low | 67 Ų | 67 | 142.9 Ų | 142.9 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | 154.9 | 126.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 632 | E | 25.8 | Very low | 28.6 | Very low | 201 Ų | 201 | 138 Ų | 138 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | 71.1 | 131.1 | 159.1 | -54.5 | -163.8 | 137.3 | 0 | 0 | 121.3 | ||||
| 633 | A | 24.8 | Very low | 28.7 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | 56.8 | 132.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 634 | P | 28.9 | Very low | 29.2 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -71.9 | 146.4 | 164.3 | 32.4 | -33.9 | 0 | 0 | 0 | 110.9 | S636 | P634-S636 PolarHBondContact O-N 3.04Š| ||
| 635 | P | 27.3 | Very low | 30.3 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -67.8 | 128.7 | -179.7 | 27.5 | -34.5 | 0 | 0 | 0 | 111.5 | T637 | P635-T637 PolarHBondContact O-N 3.28Å; P635-T637 VanDerWaalsContact O-N 3.13Å | ||
| 636 | S | 26.1 | Very low | 31.4 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -69.1 | 106.2 | 177 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | P634 N638 | P634-S636 PolarHBondContact O-N 3.04Å; S636-N638 PolarHBondContact O-N 3.25Å | ||
| 637 | T | 28.7 | Very low | 32.7 | Very low | 136 Ų | 136 | 119.3 Ų | 119.3 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -76.7 | 56.2 | 179.4 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | P635 | P635-T637 PolarHBondContact O-N 3.28Å; P635-T637 VanDerWaalsContact O-N 3.13Å | ||
| 638 | N | 33.9 | Very low | 34.4 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -122.8 | 70.5 | 176.3 | -78.3 | -24.5 | 0 | 0 | 0 | 110 | S636 | S636-N638 PolarHBondContact O-N 3.25Š| ||
| 639 | G | 26.5 | Very low | 35.8 | Very low | 66 Ų | 66 | 111.4 Ų | 111.4 | 68% | 0.68 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 149.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 640 | P | 30.8 | Very low | 37.3 | Very low | 123 Ų | 123 | 102.5 Ų | 102.5 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.5 | 175.3 | 28.9 | -34.6 | 0 | 0 | 0 | 111.4 | T642 | P640-T642 PolarHBondContact O-N 3.12Š|
| 641 | L | 31.5 | Very low | 38.7 | Very low | 147 Ų | 147 | 97 Ų | 97 | 77% | 0.77 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 135.2 | -179.2 | -70 | 163.2 | 0 | 0 | 0 | 112.2 | D645 | L641-D645 HydrophobicContact CB-CB 4.43Å; L641-D645 HydrophobicContact CD2-CB 3.85Å |
| 642 | T | 35.8 | Very low | 40.3 | Very low | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -86 | 164.5 | 178.6 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | P640 S644 D645 | P640-T642 PolarHBondContact O-N 3.12Å; T642-S644 PolarHBondContact O-N 3.02Å; T642-S644 PolarHBondContact OG1-OG 2.81Å; T642-D645 WeakPolarHBondContact CA-OD2 3.04Å; T642-D645 WeakPolarHBondContact CB-OD2 3.5Å; T642-D645 PolarHBondContact N-OD2 3.26Å; T642-D645 WeakPolarHBondContact O-CB 3.5Å; T642-D645 PolarHBondContact O-N 3.08Å; T642-D645 VanDerWaalsContact OG1-CG 3.25Å; T642-D645 PolarHBondContact OG1-OD2 3.13Å |
| 643 | Q | 32.8 | Very low | 42.1 | Very low | 181 Ų | 181 | 88.3 Ų | 88.3 | 85% | 0.846 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.5 | -32.7 | -179 | -72.2 | -176.5 | -16.2 | 0 | 0 | 112.7 | D645 S646 | Q643-D645 VanDerWaalsContact C-N 3.31Å; Q643-D645 PolarHBondContact O-N 2.81Å; Q643-S646 PolarHBondContact O-N 2.92Å; Q643-S646 PolarHBondContact O-OG 2.71Å |
| 644 | S | 35.8 | Very low | 43.8 | Very low | 67 Ų | 67 | 86 Ų | 86 | 47% | 0.469 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.6 | -42.7 | 172.6 | 14.7 | 0 | 0 | 0 | 0 | 112.7 | T642 S646 S647 I648 | T642-S644 PolarHBondContact O-N 3.02Å; T642-S644 PolarHBondContact OG1-OG 2.81Å; S644-S646 VanDerWaalsContact C-N 3.25Å; S644-S646 PolarHBondContact O-N 3.41Å; S644-S647 PolarHBondContact O-N 3.34Å; S644-S647 VanDerWaalsContact O-N 3.1Å; S644-S647 PolarHBondContact O-OG 2.97Å; S644-I648 PolarHBondContact O-N 2.75Å |
| 645 | D | 48.8 | Very low | 45.2 | Very low | 51 Ų | 51 | 80.8 Ų | 80.8 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -29.5 | -173.6 | -52.7 | -42.8 | 0 | 0 | 0 | 111.8 | L641 T642 Q643 S647 I648 S649 | L641-D645 HydrophobicContact CB-CB 4.43Å; L641-D645 HydrophobicContact CD2-CB 3.85Å; T642-D645 WeakPolarHBondContact CA-OD2 3.04Å; T642-D645 WeakPolarHBondContact CB-OD2 3.5Å; T642-D645 PolarHBondContact N-OD2 3.26Å; T642-D645 WeakPolarHBondContact O-CB 3.5Å; T642-D645 PolarHBondContact O-N 3.08Å; T642-D645 VanDerWaalsContact OG1-CG 3.25Å; T642-D645 PolarHBondContact OG1-OD2 3.13Å; Q643-D645 VanDerWaalsContact C-N 3.31Å; Q643-D645 PolarHBondContact O-N 2.81Å; D645-S647 VanDerWaalsContact C-N 3.33Å; D645-S647 PolarHBondContact O-N 3.24Å; D645-I648 PolarHBondContact O-N 2.77Å; D645-S649 VanDerWaalsContact O-CB 3.32Å; D645-S649 WeakPolarHBondContact O-CB 3.47Å; D645-S649 PolarHBondContact O-N 3.49Å |
| 646 | S | 53.8 | Low | 46.8 | Very low | 81 Ų | 81 | 75.2 Ų | 75.2 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.7 | -39.3 | 174.2 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | Q643 S644 S650 | Q643-S646 PolarHBondContact O-N 2.92Å; Q643-S646 PolarHBondContact O-OG 2.71Å; S644-S646 VanDerWaalsContact C-N 3.25Å; S644-S646 PolarHBondContact O-N 3.41Å; S646-S650 PolarHBondContact O-N 2.93Å; S646-S650 PolarHBondContact O-OG 3.29Å |
| 647 | S | 53.7 | Low | 48.6 | Very low | 61 Ų | 61 | 72.1 Ų | 72.1 | 43% | 0.427 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.4 | -34.4 | 177.3 | 71.7 | 0 | 0 | 0 | 0 | 112.8 | S644 D645 S650 N651 | S644-S647 PolarHBondContact O-N 3.34Å; S644-S647 VanDerWaalsContact O-N 3.1Å; S644-S647 PolarHBondContact O-OG 2.97Å; D645-S647 VanDerWaalsContact C-N 3.33Å; D645-S647 PolarHBondContact O-N 3.24Å; S647-S650 WeakPolarHBondContact CA-OG 3.42Å; S647-S650 PolarHBondContact O-OG 2.94Å; S647-N651 WeakPolarHBondContact O-CB 3.46Å; S647-N651 PolarHBondContact O-N 3.25Å; S647-N651 VanDerWaalsContact O-N 3.09Å; S647-N651 PolarHBondContact O-OD1 2.97Å |
| 648 | I | 60 | Low | 50.1 | Low | 43 Ų | 43 | 70 Ų | 70 | 22% | 0.221 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66 | -46.4 | 173.6 | -65.8 | 169.9 | 0 | 0 | 0 | 109 | Y381 S644 D645 S650 N651 L652 M771 | Y381-I648 HydrophobicContact CD1-CG2 4.49Å; Y381-I648 HydrophobicContact CE1-CG2 4.49Å; S644-I648 PolarHBondContact O-N 2.75Å; D645-I648 PolarHBondContact O-N 2.77Å; I648-S650 PolarHBondContact O-N 3.34Å; I648-N651 PolarHBondContact O-N 3.35Å; I648-L652 WeakPolarHBondContact O-CB 3.5Å; I648-L652 PolarHBondContact O-N 2.95Å; I648-M771 HydrophobicContact CG2-SD 4.28Å |
| 649 | S | 59.8 | Low | 51.4 | Low | 32 Ų | 32 | 63.7 Ų | 63.7 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.2 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | D645 Q653 | D645-S649 VanDerWaalsContact O-CB 3.32Å; D645-S649 WeakPolarHBondContact O-CB 3.47Å; D645-S649 PolarHBondContact O-N 3.49Å; S649-Q653 WeakPolarHBondContact O-CB 3.43Å; S649-Q653 PolarHBondContact O-N 3.46Å |
| 650 | S | 59.6 | Low | 52.9 | Low | 60 Ų | 60 | 62.1 Ų | 62.1 | 42% | 0.42 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 178.1 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | S646 S647 I648 Q653 A654 | S646-S650 PolarHBondContact O-N 2.93Å; S646-S650 PolarHBondContact O-OG 3.29Å; S647-S650 WeakPolarHBondContact CA-OG 3.42Å; S647-S650 PolarHBondContact O-OG 2.94Å; I648-S650 PolarHBondContact O-N 3.34Å; S650-Q653 PolarHBondContact O-N 2.98Å; S650-A654 WeakPolarHBondContact O-CB 3.14Å; S650-A654 PolarHBondContact O-N 3.19Å |
| 651 | N | 59.8 | Low | 54 | Low | 59 Ų | 59 | 62.4 Ų | 62.4 | 32% | 0.316 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.3 | -37.7 | 179 | -74.5 | 35.9 | 0 | 0 | 0 | 111.2 | E303 S647 I648 A654 M655 | E303-N651 PolarHBondContact OE1-ND2 3.02Å; S647-N651 WeakPolarHBondContact O-CB 3.46Å; S647-N651 PolarHBondContact O-N 3.25Å; S647-N651 VanDerWaalsContact O-N 3.09Å; S647-N651 PolarHBondContact O-OD1 2.97Å; I648-N651 PolarHBondContact O-N 3.35Å; N651-A654 PolarHBondContact O-N 2.9Å; N651-M655 HydrophobicContact CB-CE 4.13Å; N651-M655 WeakPolarHBondContact O-CB 3.37Å; N651-M655 WeakPolarHBondContact O-CE 3.34Å; N651-M655 PolarHBondContact O-N 2.84Å |
| 652 | L | 62.7 | Low | 54.3 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 174.3 | 179 | 54.4 | 0 | 0 | 0 | 111.7 | I385 A386 I648 S656 M771 | I385-L652 HydrophobicContact CB-CD1 4.1Å; I385-L652 HydrophobicContact CG2-CD1 3.72Å; I385-L652 HydrophobicContact CG2-CD2 4.01Å; A386-L652 HydrophobicContact CB-CD1 3.85Å; I648-L652 WeakPolarHBondContact O-CB 3.5Å; I648-L652 PolarHBondContact O-N 2.95Å; L652-S656 WeakPolarHBondContact O-CB 3.5Å; L652-S656 PolarHBondContact O-N 3.07Å; L652-M771 HydrophobicContact CD2-CB 3.98Å; L652-M771 HydrophobicContact CD2-CE 4.12Å; L652-M771 HydrophobicContact CD2-SD 4.3Å |
| 653 | Q | 63 | Low | 54.2 | Low | 85 Ų | 85 | 62.6 Ų | 62.6 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.8 | 173.3 | 162.3 | 36.6 | 0 | 0 | 112.2 | S649 S650 S657 | S649-Q653 WeakPolarHBondContact O-CB 3.43Å; S649-Q653 PolarHBondContact O-N 3.46Å; S650-Q653 PolarHBondContact O-N 2.98Å; Q653-S657 WeakPolarHBondContact O-CB 3.47Å; Q653-S657 PolarHBondContact O-N 3.22Å; Q653-S657 PolarHBondContact O-OG 2.96Å |
| 654 | A | 59.6 | Low | 54.2 | Low | 45 Ų | 45 | 66 Ų | 66 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S650 N651 S657 Q658 | S650-A654 WeakPolarHBondContact O-CB 3.14Å; S650-A654 PolarHBondContact O-N 3.19Å; N651-A654 PolarHBondContact O-N 2.9Å; A654-S657 WeakPolarHBondContact O-CB 3.46Å; A654-S657 PolarHBondContact O-N 2.87Å; A654-Q658 WeakPolarHBondContact O-CG 3.43Å; A654-Q658 PolarHBondContact O-N 3.43Å; A654-Q658 VanDerWaalsContact O-N 3.08Å |
| 655 | M | 59.7 | Low | 53.8 | Low | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 177.3 | -76.6 | -174.6 | -80 | 0 | 0 | 112.5 | A383 A386 N651 S657 Q658 L659 | A383-M655 HydrophobicContact CB-CE 3.89Å; A383-M655 HydrophobicContact CB-SD 3.64Å; A386-M655 HydrophobicContact CB-CB 3.74Å; N651-M655 HydrophobicContact CB-CE 4.13Å; N651-M655 WeakPolarHBondContact O-CB 3.37Å; N651-M655 WeakPolarHBondContact O-CE 3.34Å; N651-M655 PolarHBondContact O-N 2.84Å; M655-S657 VanDerWaalsContact C-N 3.31Å; M655-S657 PolarHBondContact O-N 3.46Å; M655-Q658 PolarHBondContact O-N 2.97Å; M655-Q658 VanDerWaalsContact O-N 3.12Å; M655-L659 WeakPolarHBondContact O-CB 3.38Å; M655-L659 WeakPolarHBondContact O-CG 3.41Å; M655-L659 PolarHBondContact O-N 3.44Å |
| 656 | S | 61 | Low | 52.6 | Low | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.007 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | L652 Q658 L659 F660 S775 S776 | L652-S656 WeakPolarHBondContact O-CB 3.5Å; L652-S656 PolarHBondContact O-N 3.07Å; S656-Q658 PolarHBondContact O-N 3.23Å; S656-L659 PolarHBondContact O-N 3.02Å; S656-F660 VanDerWaalsContact O-CB 3.31Å; S656-F660 WeakPolarHBondContact O-CB 3.24Å; S656-F660 VanDerWaalsContact O-CD2 3.24Å; S656-F660 WeakPolarHBondContact O-CD2 3.39Å; S656-F660 PolarHBondContact O-N 3.47Å; S656-F660 WeakPolarHBondContact OG-CD2 3.1Å; S656-S775 PolarHBondContact OG-O 2.89Å; S656-S776 PolarHBondContact OG-OG 3.02Å |
| 657 | S | 62.4 | Low | 51.2 | Low | 42 Ų | 42 | 82 Ų | 82 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.3 | -35.3 | 177 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | Q653 A654 M655 Q661 | Q653-S657 WeakPolarHBondContact O-CB 3.47Å; Q653-S657 PolarHBondContact O-N 3.22Å; Q653-S657 PolarHBondContact O-OG 2.96Å; A654-S657 WeakPolarHBondContact O-CB 3.46Å; A654-S657 PolarHBondContact O-N 2.87Å; M655-S657 VanDerWaalsContact C-N 3.31Å; M655-S657 PolarHBondContact O-N 3.46Å; S657-Q661 VanDerWaalsContact O-CB 3.22Å; S657-Q661 WeakPolarHBondContact O-CB 3.46Å; S657-Q661 WeakPolarHBondContact O-CG 3.47Å; S657-Q661 PolarHBondContact O-N 3.06Å; S657-Q661 PolarHBondContact O-NE2 3.38Å |
| 658 | Q | 61.1 | Low | 49.9 | Very low | 92 Ų | 92 | 86.7 Ų | 86.7 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -81.3 | -38.1 | 179.1 | -69.4 | 179 | 33.4 | 0 | 0 | 114.4 | A654 M655 S656 | A654-Q658 WeakPolarHBondContact O-CG 3.43Å; A654-Q658 PolarHBondContact O-N 3.43Å; A654-Q658 VanDerWaalsContact O-N 3.08Å; M655-Q658 PolarHBondContact O-N 2.97Å; M655-Q658 VanDerWaalsContact O-N 3.12Å; S656-Q658 PolarHBondContact O-N 3.23Å |
| 659 | L | 61.4 | Low | 48.2 | Very low | 14 Ų | 14 | 88.6 Ų | 88.6 | 7% | 0.073 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -82 | -28.6 | -176.7 | -63.8 | 179.6 | 0 | 0 | 0 | 112.8 | C310 Q311 L314 A386 A390 M655 S656 | C310-L659 HydrophobicContact CB-CD1 4.34Å; C310-L659 HydrophobicContact CB-CD2 4.04Å; Q311-L659 HydrophobicContact CB-CD2 4.06Å; L314-L659 HydrophobicContact CD1-CB 4.2Å; L314-L659 HydrophobicContact CD1-CD1 4.26Å; L314-L659 HydrophobicContact CD1-CD2 4.15Å; L314-L659 HydrophobicContact CD1-CG 4.43Å; A386-L659 HydrophobicContact CB-CD1 3.98Å; A390-L659 HydrophobicContact CB-CB 4.18Å; M655-L659 WeakPolarHBondContact O-CB 3.38Å; M655-L659 WeakPolarHBondContact O-CG 3.41Å; M655-L659 PolarHBondContact O-N 3.44Å; S656-L659 PolarHBondContact O-N 3.02Å |
| 660 | F | 58.6 | Low | 46.5 | Very low | 33 Ų | 33 | 93 Ų | 93 | 15% | 0.145 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -88.6 | -13.5 | 175.4 | -72.5 | -106.2 | 0 | 0 | 0 | 113.2 | L389 A390 S393 S656 S662 L779 | L389-F660 HydrophobicContact CB-CE2 4.46Å; L389-F660 HydrophobicContact CB-CZ 4.16Å; A390-F660 HydrophobicContact CB-CD2 4.14Å; A390-F660 HydrophobicContact CB-CE2 3.75Å; A390-F660 HydrophobicContact CB-CZ 4.13Å; S393-F660 VanDerWaalsContact CB-CE1 3.45Å; S656-F660 VanDerWaalsContact O-CB 3.31Å; S656-F660 WeakPolarHBondContact O-CB 3.24Å; S656-F660 VanDerWaalsContact O-CD2 3.24Å; S656-F660 WeakPolarHBondContact O-CD2 3.39Å; S656-F660 PolarHBondContact O-N 3.47Å; S656-F660 WeakPolarHBondContact OG-CD2 3.1Å; F660-S662 PolarHBondContact O-N 3.45Å; F660-L779 HydrophobicContact CE1-CB 3.94Å; F660-L779 HydrophobicContact CZ-CB 4.48Å |
| 661 | Q | 53.4 | Low | 45 | Very low | 129 Ų | 129 | 96.6 Ų | 96.6 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -81.5 | 105.3 | 172.3 | -81.5 | 173.3 | 29.4 | 0 | 0 | 111 | S657 K663 | S657-Q661 VanDerWaalsContact O-CB 3.22Å; S657-Q661 WeakPolarHBondContact O-CB 3.46Å; S657-Q661 WeakPolarHBondContact O-CG 3.47Å; S657-Q661 PolarHBondContact O-N 3.06Å; S657-Q661 PolarHBondContact O-NE2 3.38Å; Q661-K663 PolarHBondContact O-N 3.06Å |
| 662 | S | 37 | Very low | 43.3 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 78% | 0.783 | 53% | 0.529 | S | S | * | . | trans | -63.3 | 94.5 | 168.7 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | F660 R664 | F660-S662 PolarHBondContact O-N 3.45Å; S662-R664 PolarHBondContact O-N 3.49Å | ||
| 663 | K | 33.4 | Very low | 41.5 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | trans | -55.4 | 128.7 | 171 | -68.2 | 177 | -173.2 | 157.1 | 0 | 108.3 | Q661 C665 | Q661-K663 PolarHBondContact O-N 3.06Å; K663-C665 PolarHBondContact O-N 2.88Å | ||
| 664 | R | 34.2 | Very low | 39.7 | Very low | 252 Ų | 252 | 112.8 Ų | 112.8 | 95% | 0.951 | 59% | 0.59 | S | S | * | * | trans | -71.6 | 69.6 | -179.4 | -70.9 | -176.5 | 175.3 | -179 | -1.8 | 111.3 | S662 | S662-R664 PolarHBondContact O-N 3.49Š| ||
| 665 | C | 26.8 | Very low | 38 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 69% | 0.689 | 61% | 0.61 | S | S | * | * | trans | -103.1 | 25.9 | -171 | -82.4 | 0 | 0 | 0 | 0 | 114.8 | K663 | K663-C665 PolarHBondContact O-N 2.88Š| ||
| 666 | F | 24.6 | Very low | 36.4 | Very low | 180 Ų | 180 | 125.6 Ų | 125.6 | 79% | 0.789 | 65% | 0.648 | S | S | * | * | trans | -99.9 | 102 | 158.9 | -69.6 | -71.3 | 0 | 0 | 0 | 110.1 | L668 | F666-L668 VanDerWaalsContact C-N 3.35Å; F666-L668 PolarHBondContact O-N 3.2Å; F666-L668 VanDerWaalsContact O-N 3.08Å | ||
| 667 | R | 23.6 | Very low | 34.7 | Very low | 254 Ų | 254 | 133.2 Ų | 133.2 | 96% | 0.958 | 69% | 0.688 | S | S | * | * | trans | -73.4 | 92.3 | 161.8 | -81.2 | -173.6 | 174.7 | 173.7 | -0.3 | 108.7 | ||||
| 668 | L | 26.7 | Very low | 32.8 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -55.6 | 144.1 | 156.9 | -69.7 | 169.9 | 0 | 0 | 0 | 108.9 | F666 | F666-L668 VanDerWaalsContact C-N 3.35Å; F666-L668 PolarHBondContact O-N 3.2Å; F666-L668 VanDerWaalsContact O-N 3.08Å | ||
| 669 | A | 23.3 | Very low | 31.2 | Very low | 83 Ų | 83 | 143.1 Ų | 143.1 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | -64.5 | 146.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T671 | A669-T671 PolarHBondContact O-N 3Š| ||
| 670 | P | 25.6 | Very low | 29.4 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -72.1 | 98.2 | -177.4 | 29.2 | -34.6 | 0 | 0 | 0 | 111.1 | ||||
| 671 | T | 27.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149 | 161.7 | 44.9 | 0 | 0 | 0 | 0 | 110.3 | A669 | A669-T671 PolarHBondContact O-N 3Š|
| 672 | F | 24.3 | Very low | 26.4 | Very low | 204 Ų | 204 | 153.4 Ų | 153.4 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 153.6 | -168.7 | -81.3 | -104.2 | 0 | 0 | 0 | 113.6 | ||
| 673 | S | 24.7 | Very low | 26 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.1 | -175.4 | -43.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 674 | N | 25.7 | Very low | 25.5 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 92% | 0.92 | 83% | 0.833 | S | S | * | * | trans | -113.2 | 151.9 | 143.9 | -100.6 | -42 | 0 | 0 | 0 | 109.5 | ||||
| 675 | M | 23.8 | Very low | 25.1 | Very low | 164 Ų | 164 | 146 Ų | 146 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | trans | -103.5 | 165.8 | -171.2 | -63 | -171.3 | 178.4 | 0 | 0 | 112.6 | ||||
| 676 | L | 25.5 | Very low | 25 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | 73.3 | 146.6 | 168.7 | -46.9 | 174.4 | 0 | 0 | 0 | 113.7 | ||||
| 677 | L | 26.3 | Very low | 25.8 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | cis | -120.5 | 170.6 | 3.2 | -76.6 | 167.9 | 0 | 0 | 0 | 112.3 | ||||
| 678 | R | 22.6 | Very low | 25.8 | Very low | 220 Ų | 220 | 139.3 Ų | 139.3 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -127.2 | 118.3 | -176.5 | 174.4 | -173.7 | -170.3 | 178.6 | 7 | 111.8 | ||||
| 679 | P | 26.3 | Very low | 25.8 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 156 | 152.4 | -16.1 | 32.8 | 0 | 0 | 0 | 111.4 | ||
| 680 | Q | 24.6 | Very low | 25.9 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 157.6 | -177.2 | -68.3 | 171.5 | -70.6 | 0 | 0 | 112.5 | ||
| 681 | A | 23.9 | Very low | 25.9 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 149.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 682 | A | 25.2 | Very low | 25.9 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -123 | 143.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 683 | S | 27.8 | Very low | 26.5 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -79.6 | 139.2 | -177 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 684 | G | 23.5 | Very low | 27.4 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -83.4 | 158.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 685 | S | 25.4 | Very low | 27.5 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -157.9 | 154.9 | 157.8 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 686 | T | 25.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -153 | 167.9 | -178.7 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 687 | P | 40.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | cis | -129.9 | 170.6 | -49.2 | 38.4 | -25.1 | 0 | 0 | 0 | 111.4 | ||||
| 688 | T | 24.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 130 Ų | 130 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -159.6 | 149.7 | 161.5 | 10.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 689 | D | 25.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -77 | 153.3 | -179.4 | -51.7 | -89 | 0 | 0 | 0 | 114.4 | ||||
| 690 | T | 25.7 | Very low | 29.7 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | 164.5 | 150.2 | 106.2 | 38.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 691 | S | 26.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 122 Ų | 122 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 74.7 | 136.4 | 154.9 | 71.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 692 | A | 27 | Very low | 31.2 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -100.6 | 174.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 693 | P | 36.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | -149.8 | -147.2 | 84.6 | 47.5 | -27 | 0 | 0 | 0 | 112.4 | |||||
| 694 | P | 44.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | -136.5 | 175.6 | -123 | 37.7 | -13.2 | 0 | 0 | 0 | 119.1 | |||||
| 695 | S | 27.5 | Very low | 31.5 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 53.8 | 125.9 | 148.1 | -59.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 696 | Q | 29.5 | Very low | 31.6 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | -172.2 | 128.4 | 116.7 | -107.2 | 177.2 | -25.2 | 0 | 0 | 116.3 | |||||
| 697 | E | 26.1 | Very low | 31.7 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 61.7 | 164.1 | 144.3 | -66.5 | 178.1 | 147.5 | 0 | 0 | 123.7 | ||||
| 698 | A | 27.1 | Very low | 31.1 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -122.7 | -162.7 | -162.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 699 | P | 39.8 | Very low | 31.2 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -142.7 | 179 | 39.6 | 42.2 | -21.6 | 0 | 0 | 0 | 117.5 | ||||
| 700 | P | 47.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -108.2 | 168.1 | 173.3 | 40.7 | -34 | 0 | 0 | 0 | 114.5 | ||||
| 701 | P | 38.6 | Very low | 32 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -144.7 | -178 | 141.9 | 44.4 | -30.1 | 0 | 0 | 0 | 112.7 | ||||
| 702 | P | 42 | Very low | 31.9 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | -128.3 | 167.3 | -71.7 | 38.5 | -22.9 | 0 | 0 | 0 | 113.2 | |||||
| 703 | E | 28.2 | Very low | 31.9 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -82.9 | 150.3 | 156.9 | -66.6 | -175.1 | 127.6 | 0 | 0 | 110.1 | ||||
| 704 | D | 26.9 | Very low | 31.5 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -150.5 | 156.4 | 146.5 | -140.2 | -27.5 | 0 | 0 | 0 | 110.6 | ||||
| 705 | S | 26.9 | Very low | 30.7 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -119.6 | 159.7 | -165.6 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 706 | H | 27.9 | Very low | 30.7 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | -176.3 | 171.4 | 129.9 | -109.2 | -89.4 | 0 | 0 | 0 | 112.2 | |||||
| 707 | R | 28.5 | Very low | 30.6 | Very low | 219 Ų | 219 | 134.7 Ų | 134.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -104.8 | 160.2 | -174.2 | -58.6 | 170.3 | 174.8 | 164.3 | -3.2 | 111.7 | ||||
| 708 | D | 26.1 | Very low | 30.7 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | 178.3 | 140.9 | 108.2 | -90.5 | -17.6 | 0 | 0 | 0 | 116.5 | |||||
| 709 | L | 27.6 | Very low | 30.8 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | 45 | 114 | 140.5 | -55.6 | 170.5 | 0 | 0 | 0 | 123.4 | ||||
| 710 | N | 25.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 8 | 161.6 | 128.9 | -73.5 | 3.5 | 0 | 0 | 0 | 121.7 | |||||
| 711 | P | 42.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -144.8 | 165.1 | -31.9 | 40.2 | -22.7 | 0 | 0 | 0 | 116 | ||||
| 712 | G | 25.5 | Very low | 29.2 | Very low | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 89.9 | 143 | 135.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 713 | T | 27.1 | Very low | 28.5 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | trans | 71.1 | 124.2 | 153.1 | 41.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 714 | A | 27 | Very low | 28.5 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 93.3 | 102.4 | 132.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 715 | N | 27 | Very low | 28.6 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | 53.4 | 122.9 | 133.3 | -69.4 | 10.7 | 0 | 0 | 0 | 123.5 | ||||
| 716 | G | 26.8 | Very low | 28.8 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 97.1 | 144.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 717 | T | 27.5 | Very low | 28.9 | Very low | 123 Ų | 123 | 136 Ų | 136 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | cis | -166.4 | 141.3 | -3.3 | 27.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 718 | N | 28.3 | Very low | 28.9 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 64.2 | 146.7 | 145.5 | -65.4 | 54.8 | 0 | 0 | 0 | 118.6 | ||||
| 719 | D | 30.1 | Very low | 29 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | cis | -160.5 | 170.2 | -6.9 | -94.3 | -22.3 | 0 | 0 | 0 | 110 | ||||
| 720 | N | 31.1 | Very low | 29 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 76.2 | 138.5 | 165.2 | -33.9 | -74.6 | 0 | 0 | 0 | 116.3 | ||||
| 721 | D | 29.1 | Very low | 29.2 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | -166 | 175.5 | -11.1 | -116.6 | -23.3 | 0 | 0 | 0 | 111.8 | ||||
| 722 | L | 31.5 | Very low | 28.7 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 94.7 | 115.3 | 164 | -53.2 | -176.9 | 0 | 0 | 0 | 119 | ||||
| 723 | D | 28.8 | Very low | 29 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 60.5 | 97.6 | 146.2 | -52.4 | -13.4 | 0 | 0 | 0 | 119.2 | ||||
| 724 | S | 27.8 | Very low | 29.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -133.8 | 95.8 | 163.7 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | S726 | S724-S726 PolarHBondContact O-N 2.88Š| ||
| 725 | D | 28.1 | Very low | 30.3 | Very low | 173 Ų | 173 | 133 Ų | 133 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -63.9 | 131.5 | 168.3 | -81.6 | -41.7 | 0 | 0 | 0 | 110.1 | ||||
| 726 | S | 31.1 | Very low | 32.2 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -99.9 | 121.1 | 176.8 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | S724 | S724-S726 PolarHBondContact O-N 2.88Š| ||
| 727 | E | 30.3 | Very low | 34.7 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 91% | 0.911 | 73% | 0.726 | S | S | * | * | trans | -118.1 | 139.2 | 155.1 | -73.3 | -159.2 | 146.5 | 0 | 0 | 110.2 | ||||
| 728 | E | 29.4 | Very low | 37.5 | Very low | 172 Ų | 172 | 129.1 Ų | 129.1 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -83.2 | 117.2 | -175.5 | -58.4 | 177.1 | 120.6 | 0 | 0 | 110.8 | Q730 | E728-Q730 PolarHBondContact O-N 3.48Š| ||
| 729 | S | 28.4 | Very low | 40.2 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | trans | -88.9 | 88 | 164.6 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | H731 | S729-H731 VanDerWaalsContact C-N 3.3Å; S729-H731 PolarHBondContact O-N 3.46Å | ||
| 730 | Q | 27.1 | Very low | 42.9 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -65.2 | 89.1 | 169.3 | -66 | -176.1 | 6.1 | 0 | 0 | 110 | E728 S732 | E728-Q730 PolarHBondContact O-N 3.48Å; Q730-S732 PolarHBondContact O-N 3.15Å; Q730-S732 VanDerWaalsContact O-N 3.12Å | ||
| 731 | H | 29.2 | Very low | 45.6 | Very low | 165 Ų | 165 | 121.8 Ų | 121.8 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | trans | -67 | 108.8 | 170.8 | -93.6 | -77.8 | 0 | 0 | 0 | 109.8 | S729 A733 | S729-H731 VanDerWaalsContact C-N 3.3Å; S729-H731 PolarHBondContact O-N 3.46Å; H731-A733 PolarHBondContact O-N 2.71Å | ||
| 732 | S | 31.3 | Very low | 48.5 | Very low | 85 Ų | 85 | 117.6 Ų | 117.6 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | trans | -53.7 | 132.3 | 165.1 | -174 | 0 | 0 | 0 | 0 | 109.8 | Q730 H734 | Q730-S732 PolarHBondContact O-N 3.15Å; Q730-S732 VanDerWaalsContact O-N 3.12Å; S732-H734 VanDerWaalsContact C-N 3.31Å; S732-H734 PolarHBondContact O-CD2 3.03Å; S732-H734 VanDerWaalsContact O-CD2 3.3Å; S732-H734 PolarHBondContact O-N 3.36Å | ||
| 733 | A | 32.2 | Very low | 51.3 | Low | 97 Ų | 97 | 110.8 Ų | 110.8 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | trans | -80.1 | 81.2 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | H731 S735 | H731-A733 PolarHBondContact O-N 2.71Å; A733-S735 PolarHBondContact O-N 2.94Å; A733-S735 VanDerWaalsContact O-N 3.15Å | ||
| 734 | H | 38.5 | Very low | 54.2 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 57% | 0.569 | 60% | 0.597 | S | S | * | * | trans | -52.4 | 115.5 | 175.6 | -64.5 | -79.4 | 0 | 0 | 0 | 111.1 | E411 S732 E736 | E411-H734 VanDerWaalsContact CD-ND1 3.28Å; E411-H734 WeakPolarHBondContact OE1-CA 3.33Å; E411-H734 WeakPolarHBondContact OE1-CB 3.28Å; E411-H734 IonicContact OE1-CE1 3.92Å; E411-H734 IonicContact OE1-CG 3.45Å; E411-H734 IonicContact OE1-ND1 2.78Å; E411-H734 PolarHBondContact OE1-ND1 3.19Å; E411-H734 IonicContact OE2-CE1 3.55Å; E411-H734 IonicContact OE2-ND1 3.03Å; E411-H734 PolarHBondContact OE2-ND1 3.13Å; S732-H734 VanDerWaalsContact C-N 3.31Å; S732-H734 PolarHBondContact O-CD2 3.03Å; S732-H734 VanDerWaalsContact O-CD2 3.3Å; S732-H734 PolarHBondContact O-N 3.36Å; H734-E736 PolarHBondContact O-N 3.3Å | ||
| 735 | S | 42.8 | Very low | 57.2 | Low | 105 Ų | 105 | 104.9 Ų | 104.9 | 73% | 0.734 | 56% | 0.564 | S | S | * | * | trans | -90.5 | 88.8 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | A733 K737 | A733-S735 PolarHBondContact O-N 2.94Å; A733-S735 VanDerWaalsContact O-N 3.15Å; S735-K737 PolarHBondContact O-N 3.13Å | ||
| 736 | E | 66.4 | Low | 60.3 | Low | 159 Ų | 159 | 97 Ų | 97 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 123 | 179.9 | -162.2 | -164.8 | 154.1 | 0 | 0 | 111.4 | H734 T738 K742 | H734-E736 PolarHBondContact O-N 3.3Å; E736-T738 PolarHBondContact O-N 2.84Å; E736-K742 IonicContact OE1-NZ 2.63Å; E736-K742 PolarHBondContact OE1-NZ 2.91Å |
| 737 | K | 79.1 | Confident | 63.1 | Low | 48 Ų | 48 | 93.7 Ų | 93.7 | 21% | 0.209 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 136.7 | 179.1 | -61.1 | -165.4 | 179.4 | -166.2 | 0 | 111.5 | E406 L407 S735 E741 K742 I745 | E406-K737 PolarHBondContact O-NZ 3.05Å; L407-K737 WeakPolarHBondContact O-CE 3.45Å; S735-K737 PolarHBondContact O-N 3.13Å; K737-E741 HydrophobicContact CB-CB 4.39Å; K737-K742 HydrophobicContact CB-CG 4.39Å; K737-K742 WeakPolarHBondContact O-CE 3.45Å; K737-K742 PolarHBondContact O-NZ 2.84Å; K737-I745 HydrophobicContact CD-CD1 4.06Å |
| 738 | T | 86.1 | Confident | 65.9 | Low | 75 Ų | 75 | 90.1 Ų | 90.1 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -65 | 163 | 178.7 | 67.3 | 0 | 0 | 0 | 0 | 111.8 | E736 L740 E741 K742 | E736-T738 PolarHBondContact O-N 2.84Å; T738-L740 PolarHBondContact O-N 3.12Å; T738-E741 WeakPolarHBondContact CA-OE2 3.19Å; T738-E741 VanDerWaalsContact CB-OE2 3.25Å; T738-E741 WeakPolarHBondContact CB-OE2 3.36Å; T738-E741 WeakPolarHBondContact CG2-OE2 3.48Å; T738-E741 PolarHBondContact N-OE2 3.35Å; T738-E741 PolarHBondContact O-N 3.46Å; T738-E741 WeakPolarHBondContact OG1-CG 3.42Å; T738-E741 PolarHBondContact OG1-N 3.28Å; T738-E741 PolarHBondContact OG1-OE2 3.18Å; T738-K742 WeakPolarHBondContact O-CB 3.35Å; T738-K742 WeakPolarHBondContact O-CD 3.48Å; T738-K742 WeakPolarHBondContact O-CG 3.33Å; T738-K742 PolarHBondContact O-N 2.96Å |
| 739 | L | 86.4 | Confident | 68.7 | Low | 35 Ų | 35 | 82.6 Ų | 82.6 | 18% | 0.183 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63 | -30.7 | 176.5 | -175.5 | 61.8 | 0 | 0 | 0 | 112.5 | L743 P791 K795 L796 A799 | L739-L743 HydrophobicContact CD1-CD1 4.45Å; L739-L743 HydrophobicContact CD1-CG 4.48Å; L739-L743 HydrophobicContact CG-CD1 4.08Å; L739-L743 WeakPolarHBondContact O-CB 3.44Å; L739-L743 VanDerWaalsContact O-CG 3.3Å; L739-L743 WeakPolarHBondContact O-CG 3.48Å; L739-L743 PolarHBondContact O-N 3.44Å; L739-P791 HydrophobicContact CD1-CB 3.6Å; L739-P791 HydrophobicContact CD1-CG 4.08Å; L739-K795 HydrophobicContact CD2-CB 4.35Å; L739-K795 VanDerWaalsContact CD2-O 3.31Å; L739-K795 WeakPolarHBondContact CD2-O 3.27Å; L739-L796 HydrophobicContact CD1-CD2 4.31Å; L739-L796 HydrophobicContact CD2-CD2 4.28Å; L739-A799 HydrophobicContact CD2-CB 3.66Å |
| 740 | L | 86.2 | Confident | 71.6 | Confident | 106 Ų | 106 | 79 Ų | 79 | 56% | 0.555 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.1 | -47.5 | 176.8 | -73.4 | 171.7 | 0 | 0 | 0 | 111.4 | T738 K742 L743 E744 L801 | T738-L740 PolarHBondContact O-N 3.12Å; L740-K742 VanDerWaalsContact C-N 3.32Å; L740-K742 PolarHBondContact O-N 3.32Å; L740-L743 CarbonylContact O-C 3.5Å; L740-L743 PolarHBondContact O-N 2.89Å; L740-L743 VanDerWaalsContact O-N 3.13Å; L740-E744 PolarHBondContact O-N 3.33Å; L740-L801 HydrophobicContact CD2-CD2 3.51Å; L740-L801 HydrophobicContact CG-CD2 4.46Å |
| 741 | E | 88 | Confident | 74.7 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 175.1 | -67 | 159.9 | 121.2 | 0 | 0 | 111.4 | K737 T738 L743 E744 I745 | K737-E741 HydrophobicContact CB-CB 4.39Å; T738-E741 WeakPolarHBondContact CA-OE2 3.19Å; T738-E741 VanDerWaalsContact CB-OE2 3.25Å; T738-E741 WeakPolarHBondContact CB-OE2 3.36Å; T738-E741 WeakPolarHBondContact CG2-OE2 3.48Å; T738-E741 PolarHBondContact N-OE2 3.35Å; T738-E741 PolarHBondContact O-N 3.46Å; T738-E741 WeakPolarHBondContact OG1-CG 3.42Å; T738-E741 PolarHBondContact OG1-N 3.28Å; T738-E741 PolarHBondContact OG1-OE2 3.18Å; E741-L743 VanDerWaalsContact C-N 3.33Å; E741-L743 PolarHBondContact O-N 3.37Å; E741-E744 PolarHBondContact O-N 3.5Å; E741-I745 WeakPolarHBondContact O-CB 3.25Å; E741-I745 WeakPolarHBondContact O-CD1 3.44Å; E741-I745 VanDerWaalsContact O-CG1 3.27Å; E741-I745 WeakPolarHBondContact O-CG1 3.49Å; E741-I745 PolarHBondContact O-N 2.92Å |
| 742 | K | 89.1 | Confident | 77.9 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 173.2 | -74.6 | 163.5 | 171.1 | 152.3 | 0 | 112 | L407 E736 K737 T738 L740 L746 | L407-K742 HydrophobicContact CD2-CB 4.42Å; L407-K742 HydrophobicContact CD2-CG 3.69Å; E736-K742 IonicContact OE1-NZ 2.63Å; E736-K742 PolarHBondContact OE1-NZ 2.91Å; K737-K742 HydrophobicContact CB-CG 4.39Å; K737-K742 WeakPolarHBondContact O-CE 3.45Å; K737-K742 PolarHBondContact O-NZ 2.84Å; T738-K742 WeakPolarHBondContact O-CB 3.35Å; T738-K742 WeakPolarHBondContact O-CD 3.48Å; T738-K742 WeakPolarHBondContact O-CG 3.33Å; T738-K742 PolarHBondContact O-N 2.96Å; L740-K742 VanDerWaalsContact C-N 3.32Å; L740-K742 PolarHBondContact O-N 3.32Å; K742-L746 WeakPolarHBondContact O-CB 3.49Å; K742-L746 WeakPolarHBondContact O-CD1 3.39Å; K742-L746 VanDerWaalsContact O-CG 3.3Å; K742-L746 WeakPolarHBondContact O-CG 3.36Å; K742-L746 PolarHBondContact O-N 3.27Å |
| 743 | L | 90.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74 | -31.5 | 176.7 | -76.7 | 168.3 | 0 | 0 | 0 | 113.3 | L739 L740 E741 L746 S747 P791 L796 L801 L856 V860 | L739-L743 HydrophobicContact CD1-CD1 4.45Å; L739-L743 HydrophobicContact CD1-CG 4.48Å; L739-L743 HydrophobicContact CG-CD1 4.08Å; L739-L743 WeakPolarHBondContact O-CB 3.44Å; L739-L743 VanDerWaalsContact O-CG 3.3Å; L739-L743 WeakPolarHBondContact O-CG 3.48Å; L739-L743 PolarHBondContact O-N 3.44Å; L740-L743 CarbonylContact O-C 3.5Å; L740-L743 PolarHBondContact O-N 2.89Å; L740-L743 VanDerWaalsContact O-N 3.13Å; E741-L743 VanDerWaalsContact C-N 3.33Å; E741-L743 PolarHBondContact O-N 3.37Å; L743-L746 HydrophobicContact CD2-CD1 4.46Å; L743-S747 VanDerWaalsContact O-CB 3.32Å; L743-S747 WeakPolarHBondContact O-CB 3.4Å; L743-S747 PolarHBondContact O-N 3.37Å; L743-S747 PolarHBondContact O-OG 3.41Å; L743-P791 HydrophobicContact CD2-CG 4.31Å; L743-L796 HydrophobicContact CD1-CD2 3.83Å; L743-L796 HydrophobicContact CD2-CD2 3.99Å; L743-L796 HydrophobicContact CG-CD2 4.34Å; L743-L801 HydrophobicContact CD1-CD1 3.78Å; L743-L801 HydrophobicContact CD1-CD2 4Å; L743-L856 HydrophobicContact CB-CD1 3.84Å; L743-L856 HydrophobicContact CD1-CD1 4.13Å; L743-L856 HydrophobicContact CG-CD1 4.42Å; L743-V860 HydrophobicContact CD2-CG2 4.3Å |
| 744 | E | 90.6 | Very high | 84 | Confident | 126 Ų | 126 | 57 Ų | 57 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.1 | -48.3 | 172.4 | -177.7 | 170.8 | -166.7 | 0 | 0 | 110.8 | L740 E741 L746 S747 N748 | L740-E744 PolarHBondContact O-N 3.33Å; E741-E744 PolarHBondContact O-N 3.5Å; E744-L746 VanDerWaalsContact C-N 3.3Å; E744-L746 PolarHBondContact O-N 3.1Å; E744-S747 WeakPolarHBondContact O-CB 3.38Å; E744-S747 PolarHBondContact O-N 2.98Å; E744-S747 VanDerWaalsContact O-N 3.09Å; E744-N748 PolarHBondContact O-N 2.97Å; E744-N748 PolarHBondContact O-ND2 2.93Å |
| 745 | I | 90.5 | Very high | 86.8 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.6 | -47.7 | 172.3 | -70.9 | 163.7 | 0 | 0 | 0 | 110.5 | L403 E406 L407 K737 E741 N748 Q749 | L403-I745 HydrophobicContact CD2-CG2 3.96Å; E406-I745 HydrophobicContact CB-CD1 4.37Å; E406-I745 HydrophobicContact CB-CG1 4.34Å; E406-I745 HydrophobicContact CB-CG2 3.57Å; E406-I745 HydrophobicContact CG-CG2 4.33Å; E406-I745 WeakPolarHBondContact O-CD1 3.42Å; L407-I745 HydrophobicContact CD2-CD1 4Å; K737-I745 HydrophobicContact CD-CD1 4.06Å; E741-I745 WeakPolarHBondContact O-CB 3.25Å; E741-I745 WeakPolarHBondContact O-CD1 3.44Å; E741-I745 VanDerWaalsContact O-CG1 3.27Å; E741-I745 WeakPolarHBondContact O-CG1 3.49Å; E741-I745 PolarHBondContact O-N 2.92Å; I745-N748 PolarHBondContact O-N 3.49Å; I745-Q749 WeakPolarHBondContact O-CG 3.28Å; I745-Q749 PolarHBondContact O-N 3.29Å |
| 746 | L | 92.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | 177 | -77.9 | 163.2 | 0 | 0 | 0 | 113.3 | L403 K742 L743 E744 N748 Q749 M752 L790 P791 C859 | L403-L746 HydrophobicContact CD1-CD2 3.95Å; L403-L746 HydrophobicContact CD2-CD2 3.66Å; L403-L746 HydrophobicContact CD2-CG 4.18Å; L403-L746 HydrophobicContact CG-CD2 4.49Å; K742-L746 WeakPolarHBondContact O-CB 3.49Å; K742-L746 WeakPolarHBondContact O-CD1 3.39Å; K742-L746 VanDerWaalsContact O-CG 3.3Å; K742-L746 WeakPolarHBondContact O-CG 3.36Å; K742-L746 PolarHBondContact O-N 3.27Å; L743-L746 HydrophobicContact CD2-CD1 4.46Å; E744-L746 VanDerWaalsContact C-N 3.3Å; E744-L746 PolarHBondContact O-N 3.1Å; L746-N748 VanDerWaalsContact C-N 3.3Å; L746-Q749 PolarHBondContact O-N 2.89Å; L746-M752 HydrophobicContact CD2-CE 4.26Å; L746-L790 HydrophobicContact CD1-CD2 4.44Å; L746-L790 HydrophobicContact CD2-CD2 3.53Å; L746-P791 HydrophobicContact CD1-CG 4.24Å; L746-C859 VanDerWaalsContact CB-SG 3.55Å |
| 747 | S | 90.4 | Very high | 90.8 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.4 | -32.4 | 177 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | L743 E744 Q749 C859 | L743-S747 VanDerWaalsContact O-CB 3.32Å; L743-S747 WeakPolarHBondContact O-CB 3.4Å; L743-S747 PolarHBondContact O-N 3.37Å; L743-S747 PolarHBondContact O-OG 3.41Å; E744-S747 WeakPolarHBondContact O-CB 3.38Å; E744-S747 PolarHBondContact O-N 2.98Å; E744-S747 VanDerWaalsContact O-N 3.09Å; S747-Q749 VanDerWaalsContact C-N 3.34Å; S747-C859 VanDerWaalsContact OG-CB 3.29Å; S747-C859 WeakPolarHBondContact OG-CB 3.16Å |
| 748 | N | 89 | Confident | 91.6 | Very high | 119 Ų | 119 | 36.5 Ų | 36.5 | 64% | 0.636 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -79.8 | -10 | 177.6 | -68 | -29.6 | 0 | 0 | 0 | 113.7 | E744 I745 L746 G750 | E744-N748 PolarHBondContact O-N 2.97Å; E744-N748 PolarHBondContact O-ND2 2.93Å; I745-N748 PolarHBondContact O-N 3.49Å; L746-N748 VanDerWaalsContact C-N 3.3Å; N748-G750 PolarHBondContact O-N 3.46Å; N748-G750 VanDerWaalsContact O-N 3.14Å |
| 749 | Q | 89.1 | Confident | 92.1 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.065 | 17% | 0.173 | C | C | . | . | trans | -82.3 | 85 | 174.5 | -64.8 | -47.5 | -47.7 | 0 | 0 | 112.4 | R402 L403 I745 L746 S747 L751 M752 | R402-Q749 VanDerWaalsContact CD-OE1 3.25Å; L403-Q749 HydrophobicContact CD2-CG 3.53Å; L403-Q749 HydrophobicContact CG-CG 4.09Å; I745-Q749 WeakPolarHBondContact O-CG 3.28Å; I745-Q749 PolarHBondContact O-N 3.29Å; L746-Q749 PolarHBondContact O-N 2.89Å; S747-Q749 VanDerWaalsContact C-N 3.34Å; Q749-L751 PolarHBondContact O-N 2.81Å; Q749-L751 VanDerWaalsContact O-N 3.07Å; Q749-M752 HydrophobicContact CB-CG 3.83Å; Q749-M752 VanDerWaalsContact O-CB 3.32Å; Q749-M752 WeakPolarHBondContact O-CB 3.41Å; Q749-M752 WeakPolarHBondContact O-CG 3.48Å; Q749-M752 PolarHBondContact O-N 3.07Å | ||
| 750 | G | 88.3 | Confident | 92.5 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 26% | 0.258 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D356 N748 M752 Q753 | D356-G750 WeakPolarHBondContact OD2-CA 3.18Å; N748-G750 PolarHBondContact O-N 3.46Å; N748-G750 VanDerWaalsContact O-N 3.14Å; G750-M752 PolarHBondContact O-N 3.04Å; G750-M752 VanDerWaalsContact O-N 3.12Å; G750-Q753 WeakPolarHBondContact O-CG 3.43Å; G750-Q753 PolarHBondContact O-N 2.96Å; G750-Q753 PolarHBondContact O-OE1 3.28Å |
| 751 | L | 93.4 | Very high | 93 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.9 | 175.3 | -62.4 | -175.8 | 0 | 0 | 0 | 115.2 | D356 I359 L395 V399 Q749 Q753 V754 V755 | D356-L751 HydrophobicContact CB-CD2 3.76Å; D356-L751 HydrophobicContact CB-CG 4.4Å; D356-L751 VanDerWaalsContact CG-CD2 3.5Å; D356-L751 WeakPolarHBondContact OD2-CG 3.41Å; D356-L751 PolarHBondContact OD2-N 3.34Å; I359-L751 HydrophobicContact CB-CD2 4.17Å; I359-L751 HydrophobicContact CD1-CD2 4.03Å; I359-L751 HydrophobicContact CG2-CD2 4Å; L395-L751 HydrophobicContact CD1-CD1 3.92Å; L395-L751 HydrophobicContact CD1-CD2 4.17Å; V399-L751 HydrophobicContact CG2-CB 3.63Å; V399-L751 HydrophobicContact CG2-CD1 3.96Å; V399-L751 HydrophobicContact CG2-CG 4.46Å; Q749-L751 PolarHBondContact O-N 2.81Å; Q749-L751 VanDerWaalsContact O-N 3.07Å; L751-Q753 VanDerWaalsContact C-N 3.26Å; L751-Q753 PolarHBondContact O-N 2.94Å; L751-V754 HydrophobicContact CD2-CG2 4.29Å; L751-V754 WeakPolarHBondContact O-CB 3.48Å; L751-V754 PolarHBondContact O-N 2.96Å; L751-V755 PolarHBondContact O-N 3.43Å |
| 752 | M | 94.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.9 | -34.4 | 178 | -73.3 | -65.9 | -73.7 | 0 | 0 | 112.8 | V399 L746 Q749 G750 V754 V755 K756 L790 I866 | V399-M752 HydrophobicContact CG1-SD 4.08Å; L746-M752 HydrophobicContact CD2-CE 4.26Å; Q749-M752 HydrophobicContact CB-CG 3.83Å; Q749-M752 VanDerWaalsContact O-CB 3.32Å; Q749-M752 WeakPolarHBondContact O-CB 3.41Å; Q749-M752 WeakPolarHBondContact O-CG 3.48Å; Q749-M752 PolarHBondContact O-N 3.07Å; G750-M752 PolarHBondContact O-N 3.04Å; G750-M752 VanDerWaalsContact O-N 3.12Å; M752-V754 PolarHBondContact O-N 3.39Å; M752-V755 PolarHBondContact O-N 3.34Å; M752-K756 WeakPolarHBondContact O-CB 3.37Å; M752-K756 PolarHBondContact O-N 2.99Å; M752-L790 HydrophobicContact CE-CD1 4.4Å; M752-L790 HydrophobicContact CE-CD2 3.8Å; M752-I866 HydrophobicContact CE-CD1 3.67Å |
| 753 | Q | 95.3 | Very high | 93.6 | Very high | 50 Ų | 50 | 21.4 Ų | 21.4 | 23% | 0.234 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -32.2 | 174.6 | 78.1 | -169 | 59.7 | 0 | 0 | 112.2 | F360 G750 L751 V757 E827 | F360-Q753 HydrophobicContact CD2-CG 3.83Å; F360-Q753 HydrophobicContact CE2-CG 4.24Å; G750-Q753 WeakPolarHBondContact O-CG 3.43Å; G750-Q753 PolarHBondContact O-N 2.96Å; G750-Q753 PolarHBondContact O-OE1 3.28Å; L751-Q753 VanDerWaalsContact C-N 3.26Å; L751-Q753 PolarHBondContact O-N 2.94Å; Q753-V757 WeakPolarHBondContact O-CG2 3.41Å; Q753-V757 PolarHBondContact O-N 2.91Å; Q753-V757 VanDerWaalsContact O-N 3.14Å; Q753-E827 WeakPolarHBondContact CA-OE1 3.5Å |
| 754 | V | 96.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.2 | -39.6 | 180 | -165.2 | 0 | 0 | 0 | 0 | 110 | F360 V363 L395 L751 M752 F758 | F360-V754 HydrophobicContact CB-CG2 3.89Å; F360-V754 HydrophobicContact CD2-CG2 4.11Å; V363-V754 HydrophobicContact CB-CG1 3.77Å; V363-V754 HydrophobicContact CG1-CG1 3.85Å; V363-V754 HydrophobicContact CG2-CG1 3.75Å; L395-V754 HydrophobicContact CD2-CB 3.8Å; L395-V754 HydrophobicContact CD2-CG1 3.43Å; L395-V754 VanDerWaalsContact CD2-CG1 3.43Å; L751-V754 HydrophobicContact CD2-CG2 4.29Å; L751-V754 WeakPolarHBondContact O-CB 3.48Å; L751-V754 PolarHBondContact O-N 2.96Å; M752-V754 PolarHBondContact O-N 3.39Å; V754-F758 WeakPolarHBondContact O-CB 3.39Å; V754-F758 PolarHBondContact O-N 3.48Å; V754-F758 VanDerWaalsContact O-N 3.13Å |
| 755 | V | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 173.4 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | F392 V396 V399 L751 M752 V757 F758 V759 L786 I866 | F392-V755 HydrophobicContact CE2-CB 4.47Å; F392-V755 HydrophobicContact CE2-CG1 4.23Å; F392-V755 HydrophobicContact CE2-CG2 4.42Å; F392-V755 HydrophobicContact CZ-CG1 4.3Å; V396-V755 HydrophobicContact CG2-CG2 4.45Å; V399-V755 HydrophobicContact CG2-CG2 4.31Å; L751-V755 PolarHBondContact O-N 3.43Å; M752-V755 PolarHBondContact O-N 3.34Å; V755-V757 PolarHBondContact O-N 3.41Å; V755-F758 PolarHBondContact O-N 2.84Å; V755-V759 HydrophobicContact CG1-CG1 4.33Å; V755-V759 WeakPolarHBondContact O-CG2 3.35Å; V755-V759 PolarHBondContact O-N 2.86Å; V755-L786 HydrophobicContact CG1-CD2 3.85Å; V755-L786 HydrophobicContact CG2-CD2 4.35Å; V755-I866 HydrophobicContact CB-CD1 4.19Å; V755-I866 HydrophobicContact CG1-CD1 3.88Å; V755-I866 HydrophobicContact CG1-CG1 4.26Å |
| 756 | K | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -52 | -55.2 | 177.1 | -168.7 | -68.8 | -162.8 | -169 | 0 | 111.6 | M752 F758 V759 D760 L825 E827 D828 R862 C865 | M752-K756 WeakPolarHBondContact O-CB 3.37Å; M752-K756 PolarHBondContact O-N 2.99Å; K756-F758 VanDerWaalsContact C-N 3.31Å; K756-F758 PolarHBondContact O-N 3.2Å; K756-V759 WeakPolarHBondContact O-CG2 3.36Å; K756-V759 PolarHBondContact O-N 3.44Å; K756-D760 WeakPolarHBondContact CD-OD2 3.45Å; K756-D760 WeakPolarHBondContact CE-OD2 3.47Å; K756-D760 IonicContact NZ-OD2 2.59Å; K756-D760 PolarHBondContact NZ-OD2 3.29Å; K756-D760 PolarHBondContact O-N 3.37Å; K756-D760 VanDerWaalsContact O-N 3.16Å; K756-L825 HydrophobicContact CD-CD1 4.42Å; K756-L825 VanDerWaalsContact CE-CD1 3.48Å; K756-L825 HydrophobicContact CG-CD1 4.22Å; K756-E827 HydrophobicContact CD-CG 4.25Å; K756-D828 IonicContact NZ-OD1 3.27Å; K756-D828 PolarHBondContact NZ-OD1 2.98Å; K756-D828 IonicContact NZ-OD2 3.36Å; K756-D828 PolarHBondContact NZ-OD2 3.14Å; K756-R862 HydrophobicContact CG-CG 4.29Å; K756-C865 HydrophobicContact CG-CB 4.22Å |
| 757 | V | 96.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 179.5 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | F360 V364 L367 Q753 V755 W761 E827 L831 L837 | F360-V757 HydrophobicContact CE2-CG2 3.99Å; V364-V757 HydrophobicContact CG2-CG1 4.44Å; L367-V757 HydrophobicContact CD1-CG1 4.1Å; Q753-V757 WeakPolarHBondContact O-CG2 3.41Å; Q753-V757 PolarHBondContact O-N 2.91Å; Q753-V757 VanDerWaalsContact O-N 3.14Å; V755-V757 PolarHBondContact O-N 3.41Å; V757-W761 PolarHBondContact O-N 3.09Å; V757-W761 VanDerWaalsContact O-N 3.13Å; V757-E827 HydrophobicContact CG2-CB 3.83Å; V757-E827 HydrophobicContact CG2-CG 3.95Å; V757-L831 HydrophobicContact CB-CD1 4.4Å; V757-L831 HydrophobicContact CG1-CD1 3.65Å; V757-L831 HydrophobicContact CG2-CD1 3.8Å; V757-L837 HydrophobicContact CG1-CD1 3.9Å; V757-L837 HydrophobicContact CG1-CD2 4.38Å |
| 758 | F | 97.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.3 | -37.3 | -179.4 | -153.3 | -76.9 | 0 | 0 | 0 | 112.7 | V363 L367 T388 L389 F392 V754 V755 K756 W761 L762 | V363-F758 HydrophobicContact CG1-CD2 3.71Å; V363-F758 HydrophobicContact CG1-CE2 4.26Å; L367-F758 HydrophobicContact CD2-CD2 4.3Å; L367-F758 HydrophobicContact CD2-CE2 4.03Å; T388-F758 HydrophobicContact CG2-CE2 3.64Å; T388-F758 HydrophobicContact CG2-CZ 3.84Å; L389-F758 HydrophobicContact CD2-CE1 4Å; L389-F758 HydrophobicContact CD2-CZ 4.15Å; F392-F758 HydrophobicContact CB-CD1 4.05Å; F392-F758 HydrophobicContact CB-CD2 3.96Å; F392-F758 HydrophobicContact CB-CE1 3.75Å; F392-F758 HydrophobicContact CB-CE2 3.64Å; F392-F758 HydrophobicContact CB-CG 4.15Å; F392-F758 HydrophobicContact CB-CZ 3.52Å; F392-F758 AromaticContact CD1-CD1 3.24Å; F392-F758 HydrophobicContact CD1-CD1 3.24Å; F392-F758 AromaticContact CD1-CE1 3.32Å; F392-F758 HydrophobicContact CD1-CE1 3.32Å; F392-F758 AromaticContact CD1-CG 3.93Å; F392-F758 HydrophobicContact CD1-CG 3.93Å; F392-F758 HydrophobicContact CD1-CZ 4.05Å; F392-F758 HydrophobicContact CD2-CB 3.76Å; F392-F758 AromaticContact CD2-CD1 3.77Å; F392-F758 HydrophobicContact CD2-CD1 3.77Å; F392-F758 AromaticContact CD2-CD2 3.93Å; F392-F758 HydrophobicContact CD2-CD2 3.93Å; F392-F758 HydrophobicContact CD2-CE1 4.34Å; F392-F758 HydrophobicContact CD2-CE2 4.47Å; F392-F758 AromaticContact CD2-CG 3.53Å; F392-F758 HydrophobicContact CD2-CG 3.53Å; F392-F758 AromaticContact CE1-CD1 3.48Å; F392-F758 HydrophobicContact CE1-CD1 3.48Å; F392-F758 VanDerWaalsContact CE1-CD1 3.48Å; F392-F758 AromaticContact CE1-CE1 3.97Å; F392-F758 HydrophobicContact CE1-CE1 3.97Å; F392-F758 HydrophobicContact CE1-CG 4.18Å; F392-F758 HydrophobicContact CE2-CB 3.61Å; F392-F758 AromaticContact CE2-CD1 3.99Å; F392-F758 HydrophobicContact CE2-CD1 3.99Å; F392-F758 AromaticContact CE2-CG 3.83Å; F392-F758 HydrophobicContact CE2-CG 3.83Å; F392-F758 HydrophobicContact CG-CB 4.31Å; F392-F758 AromaticContact CG-CD1 3.4Å; F392-F758 HydrophobicContact CG-CD1 3.4Å; F392-F758 VanDerWaalsContact CG-CD1 3.4Å; F392-F758 AromaticContact CG-CD2 3.91Å; F392-F758 HydrophobicContact CG-CD2 3.91Å; F392-F758 AromaticContact CG-CE1 3.55Å; F392-F758 HydrophobicContact CG-CE1 3.55Å; F392-F758 HydrophobicContact CG-CE2 4.03Å; F392-F758 AromaticContact CG-CG 3.59Å; F392-F758 HydrophobicContact CG-CG 3.59Å; F392-F758 AromaticContact CG-CZ 3.85Å; F392-F758 HydrophobicContact CG-CZ 3.85Å; F392-F758 HydrophobicContact CZ-CB 4Å; F392-F758 AromaticContact CZ-CD1 3.85Å; F392-F758 HydrophobicContact CZ-CD1 3.85Å; F392-F758 HydrophobicContact CZ-CG 4.14Å; V754-F758 WeakPolarHBondContact O-CB 3.39Å; V754-F758 PolarHBondContact O-N 3.48Å; V754-F758 VanDerWaalsContact O-N 3.13Å; V755-F758 PolarHBondContact O-N 2.84Å; K756-F758 VanDerWaalsContact C-N 3.31Å; K756-F758 PolarHBondContact O-N 3.2Å; F758-W761 HydrophobicContact CD1-CE3 4.23Å; F758-W761 AromaticContact CE1-CE3 3.77Å; F758-W761 HydrophobicContact CE1-CE3 3.77Å; F758-W761 AromaticContact CE1-CZ3 3.82Å; F758-W761 HydrophobicContact CE1-CZ3 3.82Å; F758-W761 HydrophobicContact CE2-CE3 4.45Å; F758-W761 AromaticContact CZ-CE3 3.91Å; F758-W761 HydrophobicContact CZ-CE3 3.91Å; F758-W761 AromaticContact CZ-CZ3 3.75Å; F758-W761 HydrophobicContact CZ-CZ3 3.75Å; F758-W761 PolarHBondContact O-N 3.3Å; F758-L762 HydrophobicContact CD1-CD1 3.73Å; F758-L762 HydrophobicContact CD1-CG 3.81Å; F758-L762 HydrophobicContact CE1-CD1 3.83Å; F758-L762 HydrophobicContact CE1-CD2 4.06Å; F758-L762 HydrophobicContact CE1-CG 3.79Å; F758-L762 WeakPolarHBondContact O-CG 3.46Å; F758-L762 PolarHBondContact O-N 3.17Å |
| 759 | V | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.7 | -33.9 | 176.3 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | F392 V755 K756 L762 R763 I866 F869 | F392-V759 HydrophobicContact CZ-CG1 4.25Å; V755-V759 HydrophobicContact CG1-CG1 4.33Å; V755-V759 WeakPolarHBondContact O-CG2 3.35Å; V755-V759 PolarHBondContact O-N 2.86Å; K756-V759 WeakPolarHBondContact O-CG2 3.36Å; K756-V759 PolarHBondContact O-N 3.44Å; V759-L762 PolarHBondContact O-N 3.31Å; V759-R763 VanDerWaalsContact O-CB 3.24Å; V759-R763 WeakPolarHBondContact O-CB 3.27Å; V759-R763 PolarHBondContact O-N 2.96Å; V759-I866 HydrophobicContact CG2-CG1 4.16Å; V759-F869 HydrophobicContact CB-CB 4.05Å; V759-F869 HydrophobicContact CB-CD1 3.52Å; V759-F869 HydrophobicContact CB-CD2 4.17Å; V759-F869 HydrophobicContact CB-CE1 3.91Å; V759-F869 HydrophobicContact CB-CG 3.64Å; V759-F869 HydrophobicContact CB-CZ 4.41Å; V759-F869 HydrophobicContact CG1-CD1 3.42Å; V759-F869 VanDerWaalsContact CG1-CD1 3.42Å; V759-F869 HydrophobicContact CG1-CE1 3.69Å; V759-F869 HydrophobicContact CG1-CG 4.08Å; V759-F869 HydrophobicContact CG2-CB 4.27Å; V759-F869 HydrophobicContact CG2-CG 4.39Å |
| 760 | D | 95.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 5% | 0.048 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 172.8 | -81.9 | -26.8 | 0 | 0 | 0 | 112.5 | K756 T764 A840 | K756-D760 WeakPolarHBondContact CD-OD2 3.45Å; K756-D760 WeakPolarHBondContact CE-OD2 3.47Å; K756-D760 IonicContact NZ-OD2 2.59Å; K756-D760 PolarHBondContact NZ-OD2 3.29Å; K756-D760 PolarHBondContact O-N 3.37Å; K756-D760 VanDerWaalsContact O-N 3.16Å; D760-T764 PolarHBondContact O-OG1 2.91Å; D760-A840 HydrophobicContact CB-CB 4.15Å |
| 761 | W | 96.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 2% | 0.023 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 170.3 | 178.6 | 69.7 | 0 | 0 | 0 | 112.1 | L367 V370 L389 V757 F758 R763 T764 N765 I768 L837 | L367-W761 HydrophobicContact CD1-CB 4.2Å; L367-W761 HydrophobicContact CD1-CG 4.28Å; L367-W761 HydrophobicContact CD2-CB 4.39Å; L367-W761 HydrophobicContact CD2-CD2 3.48Å; L367-W761 VanDerWaalsContact CD2-CD2 3.48Å; L367-W761 HydrophobicContact CD2-CE3 3.69Å; L367-W761 HydrophobicContact CD2-CG 3.78Å; L367-W761 HydrophobicContact CD2-CZ2 4.39Å; L367-W761 HydrophobicContact CD2-CZ3 4.23Å; V370-W761 HydrophobicContact CG1-CZ2 3.92Å; L389-W761 HydrophobicContact CD2-CZ3 4.21Å; V757-W761 PolarHBondContact O-N 3.09Å; V757-W761 VanDerWaalsContact O-N 3.13Å; F758-W761 HydrophobicContact CD1-CE3 4.23Å; F758-W761 AromaticContact CE1-CE3 3.77Å; F758-W761 HydrophobicContact CE1-CE3 3.77Å; F758-W761 AromaticContact CE1-CZ3 3.82Å; F758-W761 HydrophobicContact CE1-CZ3 3.82Å; F758-W761 HydrophobicContact CE2-CE3 4.45Å; F758-W761 AromaticContact CZ-CE3 3.91Å; F758-W761 HydrophobicContact CZ-CE3 3.91Å; F758-W761 AromaticContact CZ-CZ3 3.75Å; F758-W761 HydrophobicContact CZ-CZ3 3.75Å; F758-W761 PolarHBondContact O-N 3.3Å; W761-R763 PolarHBondContact O-N 3.12Å; W761-T764 PolarHBondContact O-N 2.7Å; W761-T764 PolarHBondContact O-OG1 3.13Å; W761-N765 PolarHBondContact NE1-ND2 3.12Å; W761-N765 PolarHBondContact O-N 3.45Å; W761-N765 PolarHBondContact O-ND2 3.02Å; W761-I768 HydrophobicContact CH2-CD1 3.59Å; W761-I768 HydrophobicContact CH2-CG2 4.45Å; W761-I768 HydrophobicContact CZ2-CD1 3.58Å; W761-L837 HydrophobicContact CB-CD2 3.79Å; W761-L837 HydrophobicContact CG-CD2 4.48Å |
| 762 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.7 | -74.7 | 176.8 | 0 | 0 | 0 | 112.3 | L389 F392 F758 V759 T764 N765 I769 F869 | L389-L762 HydrophobicContact CD2-CD2 3.87Å; F392-L762 HydrophobicContact CD1-CD1 4.43Å; F392-L762 HydrophobicContact CE1-CD1 3.98Å; F758-L762 HydrophobicContact CD1-CD1 3.73Å; F758-L762 HydrophobicContact CD1-CG 3.81Å; F758-L762 HydrophobicContact CE1-CD1 3.83Å; F758-L762 HydrophobicContact CE1-CD2 4.06Å; F758-L762 HydrophobicContact CE1-CG 3.79Å; F758-L762 WeakPolarHBondContact O-CG 3.46Å; F758-L762 PolarHBondContact O-N 3.17Å; V759-L762 PolarHBondContact O-N 3.31Å; L762-T764 PolarHBondContact O-N 3.14Å; L762-N765 CarbonylContact O-C 3.58Å; L762-N765 PolarHBondContact O-N 3.11Å; L762-I769 HydrophobicContact CB-CD1 4.2Å; L762-I769 HydrophobicContact CB-CG1 4.34Å; L762-I769 HydrophobicContact CD2-CG1 4.25Å; L762-I769 VanDerWaalsContact O-CD1 3.29Å; L762-I769 WeakPolarHBondContact O-CD1 3.47Å; L762-F869 HydrophobicContact CB-CE2 4.01Å; L762-F869 HydrophobicContact CB-CZ 3.62Å; L762-F869 HydrophobicContact CD1-CE1 4.32Å; L762-F869 HydrophobicContact CD1-CZ 4.04Å |
| 763 | R | 93.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 18.1 Ų | 18.1 | 7% | 0.072 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -53.3 | -26 | 178 | -173.3 | -172.7 | -79.2 | -95.2 | 14.8 | 112.8 | V759 W761 P817 S868 F869 F872 | V759-R763 VanDerWaalsContact O-CB 3.24Å; V759-R763 WeakPolarHBondContact O-CB 3.27Å; V759-R763 PolarHBondContact O-N 2.96Å; W761-R763 PolarHBondContact O-N 3.12Å; R763-P817 PolarHBondContact NH1-O 2.99Å; R763-S868 VanDerWaalsContact NH2-C 3.35Å; R763-S868 PolarHBondContact NH2-OG 2.84Å; R763-F869 HydrophobicContact CB-CD2 3.93Å; R763-F869 HydrophobicContact CB-CE2 3.96Å; R763-F869 HydrophobicContact CG-CD2 4.42Å; R763-F872 HydrophobicContact CB-CE1 4.39Å; R763-F872 HydrophobicContact CG-CD1 4.25Å; R763-F872 HydrophobicContact CG-CD2 4.44Å; R763-F872 HydrophobicContact CG-CE1 4.11Å; R763-F872 HydrophobicContact CG-CE2 4.3Å; R763-F872 HydrophobicContact CG-CG 4.4Å; R763-F872 HydrophobicContact CG-CZ 4.12Å; R763-F872 WeakPolarHBondContact O-CZ 3.41Å |
| 764 | T | 93.3 | Very high | 91.3 | Very high | 36 Ų | 36 | 22.8 Ų | 22.8 | 22% | 0.221 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 2.9 | 179.9 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | D760 W761 L762 V839 A840 | D760-T764 PolarHBondContact O-OG1 2.91Å; W761-T764 PolarHBondContact O-N 2.7Å; W761-T764 PolarHBondContact O-OG1 3.13Å; L762-T764 PolarHBondContact O-N 3.14Å; T764-V839 HydrophobicContact CG2-CB 4.23Å; T764-V839 HydrophobicContact CG2-CG1 3.88Å; T764-A840 HydrophobicContact CG2-CB 3.93Å |
| 765 | N | 92.8 | Very high | 90.2 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | trans | -125.1 | 63.1 | 171.7 | -66.6 | -98.2 | 0 | 0 | 0 | 109.1 | W761 L762 D767 I768 I769 | W761-N765 PolarHBondContact NE1-ND2 3.12Å; W761-N765 PolarHBondContact O-N 3.45Å; W761-N765 PolarHBondContact O-ND2 3.02Å; L762-N765 CarbonylContact O-C 3.58Å; L762-N765 PolarHBondContact O-N 3.11Å; N765-D767 WeakPolarHBondContact CA-OD1 3.4Å; N765-D767 WeakPolarHBondContact CB-OD1 3.19Å; N765-D767 PolarHBondContact O-N 3.31Å; N765-I768 HydrophobicContact CB-CB 4.3Å; N765-I768 HydrophobicContact CB-CD1 3.88Å; N765-I768 HydrophobicContact CB-CG1 4.12Å; N765-I768 WeakPolarHBondContact O-CB 3.46Å; N765-I768 PolarHBondContact O-N 3.18Å; N765-I769 PolarHBondContact O-N 3.48Å | ||
| 766 | T | 92.1 | Very high | 89.5 | Confident | 53 Ų | 53 | 23.3 Ų | 23.3 | 33% | 0.325 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.4 | -26.5 | 179.5 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | I768 I769 L770 F872 L876 | T766-I768 VanDerWaalsContact C-N 3.28Å; T766-I768 PolarHBondContact O-N 2.87Å; T766-I769 PolarHBondContact O-N 3.31Å; T766-L770 WeakPolarHBondContact O-CB 3.37Å; T766-L770 VanDerWaalsContact O-CG 3.28Å; T766-L770 WeakPolarHBondContact O-CG 3.07Å; T766-L770 PolarHBondContact O-N 2.59Å; T766-F872 HydrophobicContact CG2-CE1 4.18Å; T766-F872 HydrophobicContact CG2-CZ 3.69Å; T766-L876 HydrophobicContact CG2-CD1 3.87Å |
| 767 | D | 89.8 | Confident | 88.8 | Confident | 59 Ų | 59 | 25.6 Ų | 25.6 | 32% | 0.316 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -50.8 | -48.6 | 166.7 | 57.7 | -31.3 | 0 | 0 | 0 | 111.2 | K374 N765 L770 M771 | K374-D767 IonicContact NZ-OD2 3.93Å; K374-D767 PolarHBondContact NZ-OD2 2.83Å; N765-D767 WeakPolarHBondContact CA-OD1 3.4Å; N765-D767 WeakPolarHBondContact CB-OD1 3.19Å; N765-D767 PolarHBondContact O-N 3.31Å; D767-L770 PolarHBondContact O-N 3.05Å; D767-M771 HydrophobicContact CB-CE 4.44Å; D767-M771 WeakPolarHBondContact O-CE 3.42Å; D767-M771 WeakPolarHBondContact O-CG 3.36Å; D767-M771 PolarHBondContact O-N 3.19Å; D767-M771 VanDerWaalsContact O-N 3.09Å |
| 768 | I | 91.5 | Very high | 88 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.3 | -42.8 | -179.9 | -61.4 | 179.7 | 0 | 0 | 0 | 111.2 | I385 L389 W761 N765 T766 L770 M771 C772 | I385-I768 HydrophobicContact CD1-CD1 3.76Å; I385-I768 HydrophobicContact CD1-CG1 4.1Å; I385-I768 HydrophobicContact CG1-CD1 4.08Å; I385-I768 HydrophobicContact CG2-CD1 4.4Å; I385-I768 HydrophobicContact CG2-CG2 3.67Å; L389-I768 HydrophobicContact CD1-CG2 3.94Å; L389-I768 HydrophobicContact CD2-CG2 4.37Å; W761-I768 HydrophobicContact CH2-CD1 3.59Å; W761-I768 HydrophobicContact CH2-CG2 4.45Å; W761-I768 HydrophobicContact CZ2-CD1 3.58Å; N765-I768 HydrophobicContact CB-CB 4.3Å; N765-I768 HydrophobicContact CB-CD1 3.88Å; N765-I768 HydrophobicContact CB-CG1 4.12Å; N765-I768 WeakPolarHBondContact O-CB 3.46Å; N765-I768 PolarHBondContact O-N 3.18Å; T766-I768 VanDerWaalsContact C-N 3.28Å; T766-I768 PolarHBondContact O-N 2.87Å; I768-L770 VanDerWaalsContact C-N 3.34Å; I768-L770 PolarHBondContact O-N 3.29Å; I768-M771 HydrophobicContact CG1-CE 4.39Å; I768-M771 PolarHBondContact O-N 3.34Å; I768-C772 WeakPolarHBondContact O-CB 3.38Å; I768-C772 PolarHBondContact O-N 2.86Å; I768-C772 VanDerWaalsContact O-N 3.08Å |
| 769 | I | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 177.1 | -58.3 | 170.8 | 0 | 0 | 0 | 110.4 | L762 N765 T766 C772 A773 W780 F869 F872 L873 L876 V880 | L762-I769 HydrophobicContact CB-CD1 4.2Å; L762-I769 HydrophobicContact CB-CG1 4.34Å; L762-I769 HydrophobicContact CD2-CG1 4.25Å; L762-I769 VanDerWaalsContact O-CD1 3.29Å; L762-I769 WeakPolarHBondContact O-CD1 3.47Å; N765-I769 PolarHBondContact O-N 3.48Å; T766-I769 PolarHBondContact O-N 3.31Å; I769-C772 CarbonylContact O-C 3.57Å; I769-C772 PolarHBondContact O-N 3.01Å; I769-A773 WeakPolarHBondContact O-CA 3.43Å; I769-A773 PolarHBondContact O-N 2.85Å; I769-W780 HydrophobicContact CG1-CH2 4.47Å; I769-W780 HydrophobicContact CG2-CH2 3.96Å; I769-W780 HydrophobicContact CG2-CZ2 4.14Å; I769-F869 HydrophobicContact CD1-CE2 4.33Å; I769-F869 HydrophobicContact CD1-CZ 4.26Å; I769-F872 HydrophobicContact CD1-CE1 4.18Å; I769-L873 HydrophobicContact CD1-CD2 3.99Å; I769-L873 HydrophobicContact CG2-CD2 3.86Å; I769-L876 HydrophobicContact CB-CD2 3.91Å; I769-L876 HydrophobicContact CD1-CD2 4.31Å; I769-L876 HydrophobicContact CG2-CD2 3.43Å; I769-L876 VanDerWaalsContact CG2-CD2 3.43Å; I769-V880 HydrophobicContact CG2-CG2 3.97Å |
| 770 | L | 87.3 | Confident | 87.3 | Confident | 76 Ų | 76 | 27.3 Ų | 27.3 | 40% | 0.398 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.8 | -40.4 | -176.8 | -68.1 | 176.1 | 0 | 0 | 0 | 112.7 | T766 D767 I768 C772 L876 Q877 | T766-L770 WeakPolarHBondContact O-CB 3.37Å; T766-L770 VanDerWaalsContact O-CG 3.28Å; T766-L770 WeakPolarHBondContact O-CG 3.07Å; T766-L770 PolarHBondContact O-N 2.59Å; D767-L770 PolarHBondContact O-N 3.05Å; I768-L770 VanDerWaalsContact C-N 3.34Å; I768-L770 PolarHBondContact O-N 3.29Å; L770-C772 VanDerWaalsContact C-N 3.27Å; L770-C772 PolarHBondContact O-N 3.09Å; L770-L876 HydrophobicContact CD2-CD2 3.83Å; L770-L876 HydrophobicContact CD2-CG 4.08Å; L770-L876 HydrophobicContact CG-CD2 4.21Å; L770-Q877 WeakPolarHBondContact CD2-O 3.42Å |
| 771 | M | 83.6 | Confident | 86.8 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 15% | 0.153 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -30.8 | 173.2 | -70.3 | -174.4 | -73.7 | 0 | 0 | 112.9 | I648 L652 D767 I768 | I648-M771 HydrophobicContact CG2-SD 4.28Å; L652-M771 HydrophobicContact CD2-CB 3.98Å; L652-M771 HydrophobicContact CD2-CE 4.12Å; L652-M771 HydrophobicContact CD2-SD 4.3Å; D767-M771 HydrophobicContact CB-CE 4.44Å; D767-M771 WeakPolarHBondContact O-CE 3.42Å; D767-M771 WeakPolarHBondContact O-CG 3.36Å; D767-M771 PolarHBondContact O-N 3.19Å; D767-M771 VanDerWaalsContact O-N 3.09Å; I768-M771 HydrophobicContact CG1-CE 4.39Å; I768-M771 PolarHBondContact O-N 3.34Å |
| 772 | C | 83.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -98.1 | -6.5 | -177.7 | -77.6 | 0 | 0 | 0 | 0 | 115.3 | L389 I768 I769 L770 Q774 S775 S776 W780 | L389-C772 HydrophobicContact CD1-CB 4.04Å; L389-C772 WeakPolarHBondContact CD1-SG 3.24Å; I768-C772 WeakPolarHBondContact O-CB 3.38Å; I768-C772 PolarHBondContact O-N 2.86Å; I768-C772 VanDerWaalsContact O-N 3.08Å; I769-C772 CarbonylContact O-C 3.57Å; I769-C772 PolarHBondContact O-N 3.01Å; L770-C772 VanDerWaalsContact C-N 3.27Å; L770-C772 PolarHBondContact O-N 3.09Å; C772-Q774 PolarHBondContact O-N 3.35Å; C772-S775 WeakPolarHBondContact CA-OG 3.26Å; C772-S775 PolarHBondContact O-N 3.25Å; C772-S776 WeakPolarHBondContact CB-OG 3.31Å; C772-S776 WeakPolarHBondContact O-CB 3.45Å; C772-S776 PolarHBondContact O-N 3.41Å; C772-S776 PolarHBondContact O-OG 3.06Å; C772-W780 HydrophobicContact CB-CZ2 4.45Å; C772-W780 PolarHBondContact O-NE1 3.3Å |
| 773 | A | 79.4 | Confident | 86.3 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -53.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I769 W780 V880 | I769-A773 WeakPolarHBondContact O-CA 3.43Å; I769-A773 PolarHBondContact O-N 2.85Å; A773-W780 VanDerWaalsContact O-CD1 3.28Å; A773-W780 PolarHBondContact O-NE1 3.12Å; A773-V880 HydrophobicContact CB-CG2 3.99Å |
| 774 | Q | 73.4 | Confident | 86.2 | Confident | 147 Ų | 147 | 30.2 Ų | 30.2 | 69% | 0.687 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -23.4 | -178.5 | -58.8 | -179.2 | 5.4 | 0 | 0 | 113.9 | C772 | C772-Q774 PolarHBondContact O-N 3.35Š|
| 775 | S | 74.3 | Confident | 86 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 10% | 0.098 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -11.1 | -169.7 | 68 | 0 | 0 | 0 | 0 | 114.3 | S656 C772 | S656-S775 PolarHBondContact OG-O 2.89Å; C772-S775 WeakPolarHBondContact CA-OG 3.26Å; C772-S775 PolarHBondContact O-N 3.25Å |
| 776 | S | 81.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -121.5 | 29.8 | -178.2 | -50.2 | 0 | 0 | 0 | 0 | 112.7 | S656 C772 S778 L779 | S656-S776 PolarHBondContact OG-OG 3.02Å; C772-S776 WeakPolarHBondContact CB-OG 3.31Å; C772-S776 WeakPolarHBondContact O-CB 3.45Å; C772-S776 PolarHBondContact O-N 3.41Å; C772-S776 PolarHBondContact O-OG 3.06Å; S776-S778 PolarHBondContact O-N 3.31Å; S776-L779 WeakPolarHBondContact O-CA 3.33Å; S776-L779 VanDerWaalsContact O-CB 3.29Å; S776-L779 WeakPolarHBondContact O-CB 3.48Å; S776-L779 PolarHBondContact O-N 3.33Å | ||
| 777 | Q | 80.8 | Confident | 86.2 | Confident | 47 Ų | 47 | 25.7 Ų | 25.7 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -50.4 | -28.6 | -174.1 | -169.7 | 64.6 | 5.9 | 0 | 0 | 115.2 | W780 N781 S892 I893 | Q777-W780 PolarHBondContact O-N 3.01Å; Q777-N781 WeakPolarHBondContact O-CB 3.44Å; Q777-N781 PolarHBondContact O-N 3.01Å; Q777-N781 PolarHBondContact O-ND2 3.48Å; Q777-S892 PolarHBondContact NE2-OG 3.25Å; Q777-I893 VanDerWaalsContact NE2-C 3.33Å; Q777-I893 PolarHBondContact NE2-O 2.93Å |
| 778 | S | 81.1 | Confident | 86.2 | Confident | 39 Ų | 39 | 24.4 Ų | 24.4 | 27% | 0.273 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 172.5 | 170.4 | 0 | 0 | 0 | 0 | 113 | S776 R782 | S776-S778 PolarHBondContact O-N 3.31Å; S778-R782 WeakPolarHBondContact O-CB 3.34Å; S778-R782 VanDerWaalsContact O-CD 3.29Å; S778-R782 WeakPolarHBondContact O-CD 3.43Å; S778-R782 WeakPolarHBondContact O-CG 2.97Å; S778-R782 PolarHBondContact O-N 3.38Å; S778-R782 PolarHBondContact OG-NH1 3.25Å |
| 779 | L | 88.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 172.8 | 176.1 | 59.5 | 0 | 0 | 0 | 111 | L389 F392 F660 S776 R782 L783 | L389-L779 HydrophobicContact CD2-CD2 4.46Å; F392-L779 HydrophobicContact CD1-CD1 3.58Å; F392-L779 HydrophobicContact CD1-CD2 4.32Å; F392-L779 HydrophobicContact CE1-CD1 3.83Å; F392-L779 HydrophobicContact CG-CD1 4.49Å; F660-L779 HydrophobicContact CE1-CB 3.94Å; F660-L779 HydrophobicContact CZ-CB 4.48Å; S776-L779 WeakPolarHBondContact O-CA 3.33Å; S776-L779 VanDerWaalsContact O-CB 3.29Å; S776-L779 WeakPolarHBondContact O-CB 3.48Å; S776-L779 PolarHBondContact O-N 3.33Å; L779-R782 PolarHBondContact O-N 3.25Å; L779-L783 WeakPolarHBondContact O-CB 3.41Å; L779-L783 PolarHBondContact O-N 3.02Å |
| 780 | W | 89.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.7 | -38.7 | -174.8 | -48.7 | 131.6 | 0 | 0 | 0 | 112.1 | I769 C772 A773 Q777 L783 S784 L873 V880 L881 S892 | I769-W780 HydrophobicContact CG1-CH2 4.47Å; I769-W780 HydrophobicContact CG2-CH2 3.96Å; I769-W780 HydrophobicContact CG2-CZ2 4.14Å; C772-W780 HydrophobicContact CB-CZ2 4.45Å; C772-W780 PolarHBondContact O-NE1 3.3Å; A773-W780 VanDerWaalsContact O-CD1 3.28Å; A773-W780 PolarHBondContact O-NE1 3.12Å; Q777-W780 PolarHBondContact O-N 3.01Å; W780-L783 HydrophobicContact CE3-CD2 4.31Å; W780-L783 HydrophobicContact CZ3-CD2 4.43Å; W780-L783 PolarHBondContact O-N 3.26Å; W780-S784 PolarHBondContact O-N 3.39Å; W780-L873 HydrophobicContact CE3-CD1 4.3Å; W780-L873 HydrophobicContact CZ3-CD1 4.22Å; W780-V880 HydrophobicContact CB-CG1 4.12Å; W780-V880 HydrophobicContact CD2-CG1 3.36Å; W780-V880 HydrophobicContact CE3-CG1 3.75Å; W780-V880 HydrophobicContact CG-CG1 3.5Å; W780-V880 HydrophobicContact CZ2-CG1 4.28Å; W780-V880 HydrophobicContact CZ3-CG1 4.36Å; W780-L881 HydrophobicContact CB-CD2 4.34Å; W780-S892 VanDerWaalsContact CB-OG 3.27Å; W780-S892 WeakPolarHBondContact CB-OG 3.02Å |
| 781 | N | 85.1 | Confident | 86.4 | Confident | 54 Ų | 54 | 23.5 Ų | 23.5 | 29% | 0.289 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 168.4 | -82.2 | -34 | 0 | 0 | 0 | 112.6 | Q777 L783 S784 V785 S892 Q908 | Q777-N781 WeakPolarHBondContact O-CB 3.44Å; Q777-N781 PolarHBondContact O-N 3.01Å; Q777-N781 PolarHBondContact O-ND2 3.48Å; N781-L783 VanDerWaalsContact C-N 3.33Å; N781-L783 PolarHBondContact O-N 2.97Å; N781-S784 PolarHBondContact O-N 3.06Å; N781-S784 PolarHBondContact O-OG 3.48Å; N781-S784 VanDerWaalsContact O-OG 3.12Å; N781-V785 WeakPolarHBondContact O-CG2 3.25Å; N781-V785 PolarHBondContact O-N 2.99Å; N781-S892 WeakPolarHBondContact OD1-CB 3.37Å; N781-Q908 PolarHBondContact OD1-NE2 3.41Å |
| 782 | R | 88.2 | Confident | 86.6 | Confident | 42 Ų | 42 | 23.2 Ų | 23.2 | 16% | 0.158 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 178.6 | -75.4 | 163.9 | 168.3 | 172 | -1.9 | 111.8 | S393 V396 N397 N400 S778 L779 L786 | S393-R782 WeakPolarHBondContact O-CD 3.5Å; S393-R782 WeakPolarHBondContact OG-CD 3.48Å; S393-R782 PolarHBondContact OG-NH1 3.03Å; V396-R782 HydrophobicContact CG1-CB 4Å; V396-R782 WeakPolarHBondContact CG1-O 3.34Å; N397-R782 HydrophobicContact CB-CG 4.38Å; N397-R782 PolarHBondContact OD1-NE 2.91Å; N397-R782 PolarHBondContact OD1-NH2 2.79Å; N400-R782 PolarHBondContact ND2-O 2.91Å; S778-R782 WeakPolarHBondContact O-CB 3.34Å; S778-R782 VanDerWaalsContact O-CD 3.29Å; S778-R782 WeakPolarHBondContact O-CD 3.43Å; S778-R782 WeakPolarHBondContact O-CG 2.97Å; S778-R782 PolarHBondContact O-N 3.38Å; S778-R782 PolarHBondContact OG-NH1 3.25Å; L779-R782 PolarHBondContact O-N 3.25Å; R782-L786 PolarHBondContact O-N 2.97Å |
| 783 | L | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.5 | -37.7 | 175.9 | -173.8 | 63.6 | 0 | 0 | 0 | 112.1 | L779 W780 N781 V785 L786 L787 F869 L873 | L779-L783 WeakPolarHBondContact O-CB 3.41Å; L779-L783 PolarHBondContact O-N 3.02Å; W780-L783 HydrophobicContact CE3-CD2 4.31Å; W780-L783 HydrophobicContact CZ3-CD2 4.43Å; W780-L783 PolarHBondContact O-N 3.26Å; N781-L783 VanDerWaalsContact C-N 3.33Å; N781-L783 PolarHBondContact O-N 2.97Å; L783-V785 VanDerWaalsContact C-N 3.34Å; L783-L786 PolarHBondContact O-N 3.31Å; L783-L787 HydrophobicContact CG-CD1 4.12Å; L783-L787 WeakPolarHBondContact O-CB 3.35Å; L783-L787 WeakPolarHBondContact O-CD1 3.29Å; L783-L787 VanDerWaalsContact O-CG 3.25Å; L783-L787 WeakPolarHBondContact O-CG 3.43Å; L783-L787 PolarHBondContact O-N 3.01Å; L783-F869 HydrophobicContact CD2-CD1 4.2Å; L783-F869 HydrophobicContact CD2-CE1 3.84Å; L783-L873 HydrophobicContact CD2-CD1 3.6Å |
| 784 | S | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -36.9 | 174.9 | 80.3 | 0 | 0 | 0 | 0 | 111.8 | W780 N781 N788 Q908 | W780-S784 PolarHBondContact O-N 3.39Å; N781-S784 PolarHBondContact O-N 3.06Å; N781-S784 PolarHBondContact O-OG 3.48Å; N781-S784 VanDerWaalsContact O-OG 3.12Å; S784-N788 WeakPolarHBondContact O-CB 3.47Å; S784-N788 PolarHBondContact O-N 3.48Å; S784-N788 VanDerWaalsContact O-N 3.11Å; S784-N788 PolarHBondContact O-ND2 3.32Å; S784-N788 VanDerWaalsContact O-ND2 3.17Å; S784-Q908 PolarHBondContact OG-NE2 3.3Å; S784-Q908 VanDerWaalsContact OG-NE2 3.11Å; S784-Q908 PolarHBondContact OG-OE1 3.06Å |
| 785 | V | 89.8 | Confident | 87.7 | Confident | 17 Ų | 17 | 24.3 Ų | 24.3 | 10% | 0.103 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 169.3 | 172.7 | 0 | 0 | 0 | 0 | 111 | N400 N781 L783 L787 N788 L789 A912 | N400-V785 HydrophobicContact CB-CG1 4.31Å; N781-V785 WeakPolarHBondContact O-CG2 3.25Å; N781-V785 PolarHBondContact O-N 2.99Å; L783-V785 VanDerWaalsContact C-N 3.34Å; V785-L787 PolarHBondContact O-N 3.23Å; V785-N788 PolarHBondContact O-N 3.13Å; V785-L789 HydrophobicContact CG1-CD1 4.17Å; V785-L789 WeakPolarHBondContact O-CG 3.26Å; V785-L789 PolarHBondContact O-N 2.98Å; V785-L789 VanDerWaalsContact O-N 3.11Å; V785-A912 HydrophobicContact CG1-CB 4.14Å; V785-A912 HydrophobicContact CG2-CB 3.89Å |
| 786 | L | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 178.1 | -176.8 | 54.9 | 0 | 0 | 0 | 111.6 | V396 V399 N400 L403 V755 R782 L783 N788 L789 L790 | V396-L786 HydrophobicContact CG1-CB 4.17Å; V396-L786 HydrophobicContact CG1-CD2 4.14Å; V399-L786 HydrophobicContact CG1-CD1 3.91Å; N400-L786 VanDerWaalsContact OD1-CA 3.27Å; N400-L786 WeakPolarHBondContact OD1-CA 3.46Å; N400-L786 WeakPolarHBondContact OD1-CB 3.25Å; N400-L786 WeakPolarHBondContact OD1-CD1 3.17Å; N400-L786 PolarHBondContact OD1-N 3.45Å; L403-L786 HydrophobicContact CD1-CD1 3.74Å; V755-L786 HydrophobicContact CG1-CD2 3.85Å; V755-L786 HydrophobicContact CG2-CD2 4.35Å; R782-L786 PolarHBondContact O-N 2.97Å; L783-L786 PolarHBondContact O-N 3.31Å; L786-N788 PolarHBondContact O-N 3.22Å; L786-L789 WeakPolarHBondContact O-CB 3.32Å; L786-L789 PolarHBondContact O-N 3.33Å; L786-L790 HydrophobicContact CD1-CD2 4.35Å; L786-L790 WeakPolarHBondContact O-CG 3.28Å; L786-L790 PolarHBondContact O-N 3.4Å |
| 787 | L | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -32.5 | 179.1 | -71.9 | 163.7 | 0 | 0 | 0 | 112.8 | L783 V785 I866 R867 L881 F890 | L783-L787 HydrophobicContact CG-CD1 4.12Å; L783-L787 WeakPolarHBondContact O-CB 3.35Å; L783-L787 WeakPolarHBondContact O-CD1 3.29Å; L783-L787 VanDerWaalsContact O-CG 3.25Å; L783-L787 WeakPolarHBondContact O-CG 3.43Å; L783-L787 PolarHBondContact O-N 3.01Å; V785-L787 PolarHBondContact O-N 3.23Å; L787-I866 HydrophobicContact CD2-CG2 4Å; L787-I866 WeakPolarHBondContact CD2-O 3.4Å; L787-R867 PolarHBondContact O-NH1 2.81Å; L787-R867 VanDerWaalsContact O-NH1 3.09Å; L787-L881 HydrophobicContact CD1-CD1 3.65Å; L787-F890 HydrophobicContact CB-CB 4.41Å; L787-F890 HydrophobicContact CB-CD2 3.5Å; L787-F890 VanDerWaalsContact CB-CD2 3.5Å; L787-F890 HydrophobicContact CB-CE2 3.93Å; L787-F890 HydrophobicContact CB-CG 4.07Å; L787-F890 HydrophobicContact CD1-CB 4.34Å; L787-F890 HydrophobicContact CD1-CD1 4.21Å; L787-F890 HydrophobicContact CD1-CD2 4.15Å; L787-F890 HydrophobicContact CD1-CE2 4.5Å; L787-F890 HydrophobicContact CD1-CG 3.97Å; L787-F890 HydrophobicContact CD2-CE2 4.35Å; L787-F890 HydrophobicContact CG-CD2 4.3Å |
| 788 | N | 91.3 | Very high | 89 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 17% | 0.171 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -82.1 | -16.4 | 177.4 | -65.2 | -17.9 | 0 | 0 | 0 | 113.7 | S784 V785 L786 I889 F890 F909 | S784-N788 WeakPolarHBondContact O-CB 3.47Å; S784-N788 PolarHBondContact O-N 3.48Å; S784-N788 VanDerWaalsContact O-N 3.11Å; S784-N788 PolarHBondContact O-ND2 3.32Å; S784-N788 VanDerWaalsContact O-ND2 3.17Å; V785-N788 PolarHBondContact O-N 3.13Å; L786-N788 PolarHBondContact O-N 3.22Å; N788-I889 WeakPolarHBondContact OD1-CA 3.18Å; N788-F890 PolarHBondContact ND2-O 3.46Å; N788-F890 PolarHBondContact OD1-N 3.2Å; N788-F909 HydrophobicContact CB-CE1 4.49Å; N788-F909 HydrophobicContact CB-CZ 4.03Å |
| 789 | L | 90.1 | Very high | 89 | Confident | 37 Ų | 37 | 32.4 Ų | 32.4 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -83.3 | -21.4 | 170.6 | -66.5 | 168.9 | 0 | 0 | 0 | 112.2 | N400 L403 Q404 L407 V785 L786 | N400-L789 HydrophobicContact CB-CD1 4.28Å; L403-L789 HydrophobicContact CB-CD1 4.21Å; Q404-L789 HydrophobicContact CG-CD1 3.91Å; Q404-L789 HydrophobicContact CG-CD2 3.97Å; L407-L789 HydrophobicContact CD1-CD2 4.24Å; V785-L789 HydrophobicContact CG1-CD1 4.17Å; V785-L789 WeakPolarHBondContact O-CG 3.26Å; V785-L789 PolarHBondContact O-N 2.98Å; V785-L789 VanDerWaalsContact O-N 3.11Å; L786-L789 WeakPolarHBondContact O-CB 3.32Å; L786-L789 PolarHBondContact O-N 3.33Å |
| 790 | L | 92.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -80.4 | 133.3 | 177.5 | -57 | -171.5 | 0 | 0 | 0 | 111.2 | L746 M752 L786 V863 I866 R867 | L746-L790 HydrophobicContact CD1-CD2 4.44Å; L746-L790 HydrophobicContact CD2-CD2 3.53Å; M752-L790 HydrophobicContact CE-CD1 4.4Å; M752-L790 HydrophobicContact CE-CD2 3.8Å; L786-L790 HydrophobicContact CD1-CD2 4.35Å; L786-L790 WeakPolarHBondContact O-CG 3.28Å; L786-L790 PolarHBondContact O-N 3.4Å; L790-V863 HydrophobicContact CB-CG1 4.2Å; L790-V863 HydrophobicContact CD1-CG1 4.41Å; L790-V863 HydrophobicContact CD1-CG2 4.44Å; L790-V863 HydrophobicContact CD2-CG2 4.33Å; L790-I866 HydrophobicContact CD1-CB 3.98Å; L790-I866 HydrophobicContact CD1-CG2 3.68Å; L790-R867 HydrophobicContact CB-CG 4.16Å; L790-R867 HydrophobicContact CD1-CG 4.13Å; L790-R867 PolarHBondContact O-NH1 2.7Å |
| 791 | P | 90.3 | Very high | 88.4 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 142.5 | 177 | 26.2 | -34.3 | 0 | 0 | 0 | 111.7 | L739 L743 L746 L796 R867 | L739-P791 HydrophobicContact CD1-CB 3.6Å; L739-P791 HydrophobicContact CD1-CG 4.08Å; L743-P791 HydrophobicContact CD2-CG 4.31Å; L746-P791 HydrophobicContact CD1-CG 4.24Å; P791-L796 HydrophobicContact CB-CD1 4.46Å; P791-L796 HydrophobicContact CB-CD2 4.21Å; P791-L796 HydrophobicContact CB-CG 4.17Å; P791-L796 HydrophobicContact CG-CD1 4.19Å; P791-L796 HydrophobicContact CG-CD2 3.93Å; P791-L796 HydrophobicContact CG-CG 4.21Å; P791-R867 WeakPolarHBondContact O-CD 3.39Å |
| 792 | D | 86.8 | Confident | 88.3 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 153.7 | 177.3 | 58.2 | 87.4 | 0 | 0 | 0 | 113.2 | S794 K795 L796 | D792-S794 PolarHBondContact O-N 2.89Å; D792-S794 WeakPolarHBondContact OD1-CB 3.38Å; D792-S794 PolarHBondContact OD1-N 2.78Å; D792-S794 PolarHBondContact OD1-OG 3.31Å; D792-K795 PolarHBondContact O-N 3.47Å; D792-K795 WeakPolarHBondContact OD1-CG 3.36Å; D792-K795 PolarHBondContact OD1-N 3.41Å; D792-K795 WeakPolarHBondContact OD2-CD 3.45Å; D792-K795 IonicContact OD2-NZ 2.65Å; D792-K795 PolarHBondContact OD2-NZ 3.34Å; D792-L796 WeakPolarHBondContact O-CG 3.46Å; D792-L796 PolarHBondContact O-N 3.27Å; D792-L796 VanDerWaalsContact O-N 3.16Å |
| 793 | G | 85.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -31.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L797 E815 | G793-L797 WeakPolarHBondContact O-CB 3.3Å; G793-L797 WeakPolarHBondContact O-CD1 3.45Å; G793-L797 VanDerWaalsContact O-CG 3.23Å; G793-L797 WeakPolarHBondContact O-CG 3.33Å; G793-L797 PolarHBondContact O-N 2.91Å; G793-E815 PolarHBondContact N-OE1 3.33Å |
| 794 | S | 86.4 | Confident | 88 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 43% | 0.434 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -55.9 | 174.8 | 16.9 | 0 | 0 | 0 | 0 | 111.9 | D792 L796 L797 E798 | D792-S794 PolarHBondContact O-N 2.89Å; D792-S794 WeakPolarHBondContact OD1-CB 3.38Å; D792-S794 PolarHBondContact OD1-N 2.78Å; D792-S794 PolarHBondContact OD1-OG 3.31Å; S794-L796 PolarHBondContact O-N 3.39Å; S794-L797 PolarHBondContact O-N 3.38Å; S794-E798 WeakPolarHBondContact O-CG 3.28Å; S794-E798 PolarHBondContact O-N 2.98Å |
| 795 | K | 87.2 | Confident | 87.8 | Confident | 117 Ų | 117 | 47.9 Ų | 47.9 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 177.6 | -70 | -176.2 | -171.5 | 100.4 | 0 | 112.8 | L739 D792 A799 | L739-K795 HydrophobicContact CD2-CB 4.35Å; L739-K795 VanDerWaalsContact CD2-O 3.31Å; L739-K795 WeakPolarHBondContact CD2-O 3.27Å; D792-K795 PolarHBondContact O-N 3.47Å; D792-K795 WeakPolarHBondContact OD1-CG 3.36Å; D792-K795 PolarHBondContact OD1-N 3.41Å; D792-K795 WeakPolarHBondContact OD2-CD 3.45Å; D792-K795 IonicContact OD2-NZ 2.65Å; D792-K795 PolarHBondContact OD2-NZ 3.34Å; K795-A799 PolarHBondContact O-N 3.46Å |
| 796 | L | 88.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.8 | -26.1 | 176.2 | -68.1 | 171.1 | 0 | 0 | 0 | 113.6 | L739 L743 P791 D792 S794 L801 L811 V863 | L739-L796 HydrophobicContact CD1-CD2 4.31Å; L739-L796 HydrophobicContact CD2-CD2 4.28Å; L743-L796 HydrophobicContact CD1-CD2 3.83Å; L743-L796 HydrophobicContact CD2-CD2 3.99Å; L743-L796 HydrophobicContact CG-CD2 4.34Å; P791-L796 HydrophobicContact CB-CD1 4.46Å; P791-L796 HydrophobicContact CB-CD2 4.21Å; P791-L796 HydrophobicContact CB-CG 4.17Å; P791-L796 HydrophobicContact CG-CD1 4.19Å; P791-L796 HydrophobicContact CG-CD2 3.93Å; P791-L796 HydrophobicContact CG-CG 4.21Å; D792-L796 WeakPolarHBondContact O-CG 3.46Å; D792-L796 PolarHBondContact O-N 3.27Å; D792-L796 VanDerWaalsContact O-N 3.16Å; S794-L796 PolarHBondContact O-N 3.39Å; L796-L801 HydrophobicContact CD2-CD1 4.06Å; L796-L811 HydrophobicContact CB-CD1 3.78Å; L796-L811 HydrophobicContact CB-CD2 3.77Å; L796-L811 HydrophobicContact CB-CG 4.29Å; L796-L811 HydrophobicContact CD1-CD1 3.75Å; L796-L811 HydrophobicContact CG-CD1 4.43Å; L796-V863 HydrophobicContact CD1-CG1 4.12Å |
| 797 | L | 88.1 | Confident | 87.5 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -86.5 | -28 | 174.5 | -74.4 | 166.1 | 0 | 0 | 0 | 112.8 | G793 S794 T808 L811 K812 | G793-L797 WeakPolarHBondContact O-CB 3.3Å; G793-L797 WeakPolarHBondContact O-CD1 3.45Å; G793-L797 VanDerWaalsContact O-CG 3.23Å; G793-L797 WeakPolarHBondContact O-CG 3.33Å; G793-L797 PolarHBondContact O-N 2.91Å; S794-L797 PolarHBondContact O-N 3.38Å; L797-T808 HydrophobicContact CD2-CG2 4.16Å; L797-L811 HydrophobicContact CD2-CB 4.32Å; L797-L811 HydrophobicContact CD2-CD2 3.7Å; L797-L811 HydrophobicContact CD2-CG 3.92Å; L797-L811 HydrophobicContact CG-CD2 3.81Å; L797-L811 HydrophobicContact CG-CG 3.87Å; L797-K812 HydrophobicContact CD1-CG 4.16Å; L797-K812 HydrophobicContact CD2-CG 4.25Å |
| 798 | E | 87 | Confident | 87.3 | Confident | 160 Ų | 160 | 52.5 Ų | 52.5 | 75% | 0.748 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -77.5 | -27.7 | 176.9 | -73.2 | 172.4 | -170.3 | 0 | 0 | 112.7 | S794 | S794-E798 WeakPolarHBondContact O-CG 3.28Å; S794-E798 PolarHBondContact O-N 2.98Å |
| 799 | A | 81.4 | Confident | 87.2 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -80 | 127.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L739 K795 L801 | L739-A799 HydrophobicContact CD2-CB 3.66Å; K795-A799 PolarHBondContact O-N 3.46Å; A799-L801 HydrophobicContact CB-CD1 4.36Å; A799-L801 HydrophobicContact CB-CD2 4.14Å; A799-L801 HydrophobicContact CB-CG 3.86Å; A799-L801 PolarHBondContact O-N 2.84Å |
| 800 | D | 80.3 | Confident | 87.1 | Confident | 167 Ų | 167 | 55.4 Ų | 55.4 | 89% | 0.893 | 31% | 0.312 | S | S | * | . | trans | -75.1 | 71.5 | 176.5 | -168.9 | 8.1 | 0 | 0 | 0 | 111.2 | G802 | D800-G802 PolarHBondContact O-N 3.13Š| ||
| 801 | L | 85.1 | Confident | 87 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | trans | -79.5 | 6.1 | -173.8 | -67.6 | 176.2 | 0 | 0 | 0 | 113.8 | L740 L743 L796 A799 L803 | L740-L801 HydrophobicContact CD2-CD2 3.51Å; L740-L801 HydrophobicContact CG-CD2 4.46Å; L743-L801 HydrophobicContact CD1-CD1 3.78Å; L743-L801 HydrophobicContact CD1-CD2 4Å; L796-L801 HydrophobicContact CD2-CD1 4.06Å; A799-L801 HydrophobicContact CB-CD1 4.36Å; A799-L801 HydrophobicContact CB-CD2 4.14Å; A799-L801 HydrophobicContact CB-CG 3.86Å; A799-L801 PolarHBondContact O-N 2.84Å; L801-L803 HydrophobicContact CB-CD1 4.2Å; L801-L803 HydrophobicContact CB-CD2 4.21Å; L801-L803 HydrophobicContact CB-CG 3.81Å; L801-L803 HydrophobicContact CD1-CD1 4.38Å; L801-L803 PolarHBondContact O-N 2.96Å | ||
| 802 | G | 83.7 | Confident | 87 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | trans | 60.2 | 27.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | D800 | D800-G802 PolarHBondContact O-N 3.13Š| ||
| 803 | L | 87 | Confident | 87.1 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | trans | -68 | 147.8 | -177.4 | -59.4 | 175.7 | 0 | 0 | 0 | 111.3 | L801 V807 T808 L811 Q857 V860 | L801-L803 HydrophobicContact CB-CD1 4.2Å; L801-L803 HydrophobicContact CB-CD2 4.21Å; L801-L803 HydrophobicContact CB-CG 3.81Å; L801-L803 HydrophobicContact CD1-CD1 4.38Å; L801-L803 PolarHBondContact O-N 2.96Å; L803-V807 HydrophobicContact CB-CG1 4.44Å; L803-V807 HydrophobicContact CD1-CG1 4.22Å; L803-V807 HydrophobicContact CD2-CG1 4.2Å; L803-T808 WeakPolarHBondContact CB-OG1 3.43Å; L803-L811 HydrophobicContact CD1-CD2 3.87Å; L803-Q857 HydrophobicContact CD2-CG 3.98Å; L803-V860 HydrophobicContact CD1-CG1 4.29Å; L803-V860 HydrophobicContact CD2-CG2 4.43Å | ||
| 804 | N | 87.2 | Confident | 87.3 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | trans | -70.7 | 164.7 | 171.8 | 75.3 | 40.2 | 0 | 0 | 0 | 110.8 | E806 V807 T808 | N804-E806 VanDerWaalsContact C-N 3.33Å; N804-E806 PolarHBondContact O-N 3.06Å; N804-E806 PolarHBondContact OD1-N 2.89Å; N804-E806 VanDerWaalsContact OD1-N 3.1Å; N804-V807 PolarHBondContact O-N 2.65Å; N804-V807 WeakPolarHBondContact OD1-CG2 3.46Å; N804-V807 PolarHBondContact OD1-N 2.76Å; N804-T808 WeakPolarHBondContact O-CB 3.33Å; N804-T808 PolarHBondContact O-N 2.93Å; N804-T808 PolarHBondContact O-OG1 3.11Å | ||
| 805 | S | 87.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 61% | 0.608 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | -176.4 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | T808 E809 | S805-T808 PolarHBondContact O-N 3.39Å; S805-E809 WeakPolarHBondContact O-CG 3.48Å; S805-E809 PolarHBondContact O-N 2.66Å |
| 806 | E | 87.4 | Confident | 87.6 | Confident | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.8 | -41.8 | -176.2 | -65.2 | -177.6 | -127.3 | 0 | 0 | 112 | N804 T808 E809 M810 L823 R848 | N804-E806 VanDerWaalsContact C-N 3.33Å; N804-E806 PolarHBondContact O-N 3.06Å; N804-E806 PolarHBondContact OD1-N 2.89Å; N804-E806 VanDerWaalsContact OD1-N 3.1Å; E806-T808 VanDerWaalsContact C-N 3.31Å; E806-T808 PolarHBondContact O-N 3.02Å; E806-E809 PolarHBondContact O-N 3.27Å; E806-M810 PolarHBondContact O-N 3.38Å; E806-L823 HydrophobicContact CB-CD1 3.9Å; E806-L823 HydrophobicContact CB-CD2 4.31Å; E806-L823 HydrophobicContact CB-CG 4.26Å; E806-R848 IonicContact OE2-NH1 3.55Å |
| 807 | V | 89.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 171 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | L803 N804 E809 M810 L811 L823 L853 Q857 V860 L861 | L803-V807 HydrophobicContact CB-CG1 4.44Å; L803-V807 HydrophobicContact CD1-CG1 4.22Å; L803-V807 HydrophobicContact CD2-CG1 4.2Å; N804-V807 PolarHBondContact O-N 2.65Å; N804-V807 WeakPolarHBondContact OD1-CG2 3.46Å; N804-V807 PolarHBondContact OD1-N 2.76Å; V807-E809 VanDerWaalsContact C-N 3.3Å; V807-E809 PolarHBondContact O-N 2.99Å; V807-M810 PolarHBondContact O-N 3.43Å; V807-L811 VanDerWaalsContact O-CB 3.27Å; V807-L811 WeakPolarHBondContact O-CB 3.38Å; V807-L811 PolarHBondContact O-N 3.06Å; V807-L823 HydrophobicContact CB-CD1 4.41Å; V807-L823 HydrophobicContact CG2-CD1 3.46Å; V807-L823 VanDerWaalsContact CG2-CD1 3.46Å; V807-L853 HydrophobicContact CG2-CD2 4.25Å; V807-Q857 HydrophobicContact CG2-CB 4.3Å; V807-Q857 HydrophobicContact CG2-CG 4.38Å; V807-V860 HydrophobicContact CG1-CB 4.49Å; V807-V860 HydrophobicContact CG1-CG1 3.94Å; V807-L861 HydrophobicContact CG1-CD2 4.28Å; V807-L861 HydrophobicContact CG1-CG 4.34Å; V807-L861 HydrophobicContact CG2-CD1 4.15Å; V807-L861 HydrophobicContact CG2-CD2 4.27Å; V807-L861 HydrophobicContact CG2-CG 4.26Å |
| 808 | T | 90 | Very high | 87.3 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.2 | -28.1 | 178.4 | -53.4 | 0 | 0 | 0 | 0 | 112.5 | L797 L803 N804 S805 E806 K812 | L797-T808 HydrophobicContact CD2-CG2 4.16Å; L803-T808 WeakPolarHBondContact CB-OG1 3.43Å; N804-T808 WeakPolarHBondContact O-CB 3.33Å; N804-T808 PolarHBondContact O-N 2.93Å; N804-T808 PolarHBondContact O-OG1 3.11Å; S805-T808 PolarHBondContact O-N 3.39Å; E806-T808 VanDerWaalsContact C-N 3.31Å; E806-T808 PolarHBondContact O-N 3.02Å; T808-K812 VanDerWaalsContact O-CE 3.26Å; T808-K812 WeakPolarHBondContact O-CE 3.37Å; T808-K812 WeakPolarHBondContact O-CG 3.48Å |
| 809 | E | 88.8 | Confident | 87.2 | Confident | 121 Ų | 121 | 55.1 Ų | 55.1 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.1 | -48.6 | 171.2 | -75.8 | -175.7 | 151.6 | 0 | 0 | 111.8 | S805 E806 V807 L811 K812 | S805-E809 WeakPolarHBondContact O-CG 3.48Å; S805-E809 PolarHBondContact O-N 2.66Å; E806-E809 PolarHBondContact O-N 3.27Å; V807-E809 VanDerWaalsContact C-N 3.3Å; V807-E809 PolarHBondContact O-N 2.99Å; E809-L811 PolarHBondContact O-N 3.2Å; E809-K812 WeakPolarHBondContact O-CB 3.31Å; E809-K812 PolarHBondContact O-N 3.42Å; E809-K812 VanDerWaalsContact O-N 3.12Å |
| 810 | M | 88.4 | Confident | 87 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.044 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57 | -35.9 | 173.8 | -78.3 | -171.4 | 56.3 | 0 | 0 | 112.9 | E806 V807 K812 E813 C814 L819 P821 L823 L861 | E806-M810 PolarHBondContact O-N 3.38Å; V807-M810 PolarHBondContact O-N 3.43Å; M810-K812 VanDerWaalsContact C-N 3.29Å; M810-K812 PolarHBondContact O-N 3.33Å; M810-E813 CarbonylContact O-C 3.57Å; M810-E813 PolarHBondContact O-N 3.34Å; M810-E813 VanDerWaalsContact O-N 3.07Å; M810-C814 PolarHBondContact O-N 3.4Å; M810-L819 HydrophobicContact CB-CD1 4.26Å; M810-L819 HydrophobicContact CE-CD1 4.28Å; M810-L819 HydrophobicContact CG-CD1 4.45Å; M810-L819 WeakPolarHBondContact O-CD1 3.25Å; M810-P821 HydrophobicContact CE-CB 3.72Å; M810-P821 HydrophobicContact CE-CG 4.46Å; M810-P821 HydrophobicContact SD-CB 4.45Å; M810-L823 HydrophobicContact SD-CB 4.14Å; M810-L823 HydrophobicContact SD-CD1 4.41Å; M810-L823 HydrophobicContact SD-CG 4.37Å; M810-L861 HydrophobicContact CB-CD2 4.2Å; M810-L861 HydrophobicContact CE-CD2 3.47Å; M810-L861 VanDerWaalsContact CE-CD2 3.47Å; M810-L861 HydrophobicContact CG-CD2 4.49Å; M810-L861 HydrophobicContact SD-CD2 3.54Å; M810-L861 VanDerWaalsContact SD-CD2 3.54Å |
| 811 | L | 90.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -29.6 | 179.6 | -177.6 | 59.4 | 0 | 0 | 0 | 113.2 | L796 L797 L803 V807 E809 E813 C814 V860 C864 | L796-L811 HydrophobicContact CB-CD1 3.78Å; L796-L811 HydrophobicContact CB-CD2 3.77Å; L796-L811 HydrophobicContact CB-CG 4.29Å; L796-L811 HydrophobicContact CD1-CD1 3.75Å; L796-L811 HydrophobicContact CG-CD1 4.43Å; L797-L811 HydrophobicContact CD2-CB 4.32Å; L797-L811 HydrophobicContact CD2-CD2 3.7Å; L797-L811 HydrophobicContact CD2-CG 3.92Å; L797-L811 HydrophobicContact CG-CD2 3.81Å; L797-L811 HydrophobicContact CG-CG 3.87Å; L803-L811 HydrophobicContact CD1-CD2 3.87Å; V807-L811 VanDerWaalsContact O-CB 3.27Å; V807-L811 WeakPolarHBondContact O-CB 3.38Å; V807-L811 PolarHBondContact O-N 3.06Å; E809-L811 PolarHBondContact O-N 3.2Å; L811-E813 PolarHBondContact O-N 3.02Å; L811-C814 HydrophobicContact CD1-CB 4.16Å; L811-C814 WeakPolarHBondContact O-CB 3.27Å; L811-C814 PolarHBondContact O-N 2.94Å; L811-V860 HydrophobicContact CD1-CG1 4.19Å; L811-V860 HydrophobicContact CD2-CG1 4.46Å; L811-C864 VanDerWaalsContact CD1-SG 3.59Å |
| 812 | K | 89.6 | Confident | 86.5 | Confident | 124 Ų | 124 | 50.2 Ų | 50.2 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68 | -25.9 | 173.5 | -62.8 | 159.2 | -165.6 | 160.1 | 0 | 112.2 | L797 T808 E809 M810 | L797-K812 HydrophobicContact CD1-CG 4.16Å; L797-K812 HydrophobicContact CD2-CG 4.25Å; T808-K812 VanDerWaalsContact O-CE 3.26Å; T808-K812 WeakPolarHBondContact O-CE 3.37Å; T808-K812 WeakPolarHBondContact O-CG 3.48Å; E809-K812 WeakPolarHBondContact O-CB 3.31Å; E809-K812 PolarHBondContact O-N 3.42Å; E809-K812 VanDerWaalsContact O-N 3.12Å; M810-K812 VanDerWaalsContact C-N 3.29Å; M810-K812 PolarHBondContact O-N 3.33Å |
| 813 | E | 88.6 | Confident | 86.6 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.6 | 175.5 | -73.8 | -175.3 | -159.4 | 0 | 0 | 113.4 | M810 L811 E815 Q816 L819 | M810-E813 CarbonylContact O-C 3.57Å; M810-E813 PolarHBondContact O-N 3.34Å; M810-E813 VanDerWaalsContact O-N 3.07Å; L811-E813 PolarHBondContact O-N 3.02Å; E813-E815 VanDerWaalsContact C-N 3.27Å; E813-E815 PolarHBondContact O-N 2.86Å; E813-Q816 WeakPolarHBondContact O-CB 3.33Å; E813-Q816 PolarHBondContact O-N 3.22Å; E813-L819 HydrophobicContact CB-CB 4.34Å; E813-L819 HydrophobicContact CB-CD1 3.44Å; E813-L819 VanDerWaalsContact CB-CD1 3.44Å; E813-L819 HydrophobicContact CB-CG 4.48Å; E813-L819 WeakPolarHBondContact OE2-CA 3.39Å |
| 814 | C | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -43.8 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 113 | M810 L811 Q816 C864 S868 | M810-C814 PolarHBondContact O-N 3.4Å; L811-C814 HydrophobicContact CD1-CB 4.16Å; L811-C814 WeakPolarHBondContact O-CB 3.27Å; L811-C814 PolarHBondContact O-N 2.94Å; C814-Q816 VanDerWaalsContact C-N 3.26Å; C814-Q816 PolarHBondContact O-N 2.9Å; C814-C864 HydrophobicContact CB-CB 4.26Å; C814-S868 WeakPolarHBondContact O-CA 3.39Å; C814-S868 PolarHBondContact O-N 3.22Å; C814-S868 VanDerWaalsContact O-N 3.13Å |
| 815 | E | 91.2 | Very high | 87 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 20% | 0.201 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 15.9 | -179.5 | -52.5 | -58.2 | 147.5 | 0 | 0 | 113.4 | G793 E813 R867 H871 | G793-E815 PolarHBondContact N-OE1 3.33Å; E813-E815 VanDerWaalsContact C-N 3.27Å; E813-E815 PolarHBondContact O-N 2.86Å; E815-R867 VanDerWaalsContact CD-NH2 3.31Å; E815-R867 IonicContact OE1-CZ 2.63Å; E815-R867 VanDerWaalsContact OE1-CZ 3.3Å; E815-R867 IonicContact OE1-NE 3.61Å; E815-R867 PolarHBondContact OE1-NE 3.18Å; E815-R867 IonicContact OE1-NH2 3.72Å; E815-R867 PolarHBondContact OE1-NH2 2.95Å; E815-R867 VanDerWaalsContact OE1-NH2 3.07Å; E815-R867 IonicContact OE2-CZ 2.66Å; E815-R867 IonicContact OE2-NE 3.15Å; E815-R867 IonicContact OE2-NH2 2.8Å; E815-R867 PolarHBondContact OE2-NH2 2.96Å; E815-H871 VanDerWaalsContact CA-CD2 3.47Å; E815-H871 WeakPolarHBondContact CA-CD2 3.36Å; E815-H871 PolarHBondContact O-CD2 2.72Å; E815-H871 IonicContact OE2-CD2 2.73Å; E815-H871 IonicContact OE2-CE1 2.68Å; E815-H871 IonicContact OE2-NE2 3.91Å; E815-H871 PolarHBondContact OE2-NE2 3.48Å |
| 816 | Q | 90.2 | Very high | 87.2 | Confident | 107 Ų | 107 | 43.8 Ų | 43.8 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -112.8 | 141.2 | -179.3 | -61.3 | -59.6 | -41 | 0 | 0 | 111.7 | E813 C814 G818 S868 | E813-Q816 WeakPolarHBondContact O-CB 3.33Å; E813-Q816 PolarHBondContact O-N 3.22Å; C814-Q816 VanDerWaalsContact C-N 3.26Å; C814-Q816 PolarHBondContact O-N 2.9Å; Q816-G818 PolarHBondContact O-N 3Å; Q816-S868 VanDerWaalsContact O-CB 3.3Å; Q816-S868 WeakPolarHBondContact O-CB 3.32Å; Q816-S868 PolarHBondContact O-OG 3.42Å |
| 817 | P | 87.8 | Confident | 87.5 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22 | 177.8 | 27.4 | -35.5 | 0 | 0 | 0 | 112.9 | R763 H871 F872 | R763-P817 PolarHBondContact NH1-O 2.99Å; P817-H871 HydrophobicContact CB-CB 4.42Å; P817-F872 HydrophobicContact CB-CB 4.39Å |
| 818 | G | 82.3 | Confident | 87.7 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 52% | 0.515 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -16.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117 | Q816 S820 R843 | Q816-G818 PolarHBondContact O-N 3Å; G818-S820 PolarHBondContact O-N 3.4Å; G818-R843 PolarHBondContact O-NH2 3.32Å |
| 819 | L | 84.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -30.8 | 112.4 | -169.6 | 175.3 | 68.3 | 0 | 0 | 0 | 113.3 | M810 E813 P821 R843 C864 S868 | M810-L819 HydrophobicContact CB-CD1 4.26Å; M810-L819 HydrophobicContact CE-CD1 4.28Å; M810-L819 HydrophobicContact CG-CD1 4.45Å; M810-L819 WeakPolarHBondContact O-CD1 3.25Å; E813-L819 HydrophobicContact CB-CB 4.34Å; E813-L819 HydrophobicContact CB-CD1 3.44Å; E813-L819 VanDerWaalsContact CB-CD1 3.44Å; E813-L819 HydrophobicContact CB-CG 4.48Å; E813-L819 WeakPolarHBondContact OE2-CA 3.39Å; L819-P821 WeakPolarHBondContact O-CD 3.16Å; L819-R843 PolarHBondContact O-NH1 2.77Å; L819-R843 PolarHBondContact O-NH2 3.23Å; L819-C864 VanDerWaalsContact CD2-C 3.48Å; L819-C864 HydrophobicContact CD2-CB 3.81Å; L819-C864 VanDerWaalsContact CD2-O 3.3Å; L819-C864 WeakPolarHBondContact CD2-O 3.45Å; L819-S868 VanDerWaalsContact CB-OG 3.27Å; L819-S868 WeakPolarHBondContact CB-OG 3.47Å | ||
| 820 | S | 76.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 42% | 0.42 | 22% | 0.221 | S | C | . | . | trans | -99.6 | 108.4 | 178.3 | -157.7 | 0 | 0 | 0 | 0 | 109.9 | G818 T822 | G818-S820 PolarHBondContact O-N 3.4Å; S820-T822 PolarHBondContact O-N 3.01Å; S820-T822 VanDerWaalsContact O-N 3.15Å | ||
| 821 | P | 77.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | trans | -70.4 | 114.6 | -174.6 | -15.5 | 30.5 | 0 | 0 | 0 | 111.4 | M810 L819 L844 | M810-P821 HydrophobicContact CE-CB 3.72Å; M810-P821 HydrophobicContact CE-CG 4.46Å; M810-P821 HydrophobicContact SD-CB 4.45Å; L819-P821 WeakPolarHBondContact O-CD 3.16Å; P821-L844 HydrophobicContact CB-CD2 3.6Å; P821-L844 HydrophobicContact CG-CD2 3.84Å | ||
| 822 | T | 77.6 | Confident | 88.2 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | trans | -85.7 | -23.2 | 176 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | S820 | S820-T822 PolarHBondContact O-N 3.01Å; S820-T822 VanDerWaalsContact O-N 3.15Å | ||
| 823 | L | 87.3 | Confident | 88.3 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -101 | 137.9 | 176.5 | -66.2 | 169.6 | 0 | 0 | 0 | 110.4 | E806 V807 M810 A851 L853 L861 | E806-L823 HydrophobicContact CB-CD1 3.9Å; E806-L823 HydrophobicContact CB-CD2 4.31Å; E806-L823 HydrophobicContact CB-CG 4.26Å; V807-L823 HydrophobicContact CB-CD1 4.41Å; V807-L823 HydrophobicContact CG2-CD1 3.46Å; V807-L823 VanDerWaalsContact CG2-CD1 3.46Å; M810-L823 HydrophobicContact SD-CB 4.14Å; M810-L823 HydrophobicContact SD-CD1 4.41Å; M810-L823 HydrophobicContact SD-CG 4.37Å; L823-A851 HydrophobicContact CD2-CB 4.43Å; L823-L853 HydrophobicContact CD1-CD2 4.27Å; L823-L861 HydrophobicContact CB-CD1 4.05Å; L823-L861 HydrophobicContact CD1-CD1 4.04Å; L823-L861 HydrophobicContact CD1-CD2 4.2Å |
| 824 | L | 90.3 | Very high | 88.6 | Confident | 20 Ų | 20 | 34.3 Ų | 34.3 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 131.2 | 178.1 | -58 | 177.8 | 0 | 0 | 0 | 110.3 | D828 V829 L844 F846 | L824-D828 HydrophobicContact CD2-CB 4.46Å; L824-V829 HydrophobicContact CB-CG2 3.99Å; L824-V829 HydrophobicContact CD1-CG2 4.31Å; L824-L844 HydrophobicContact CD2-CB 3.75Å; L824-L844 HydrophobicContact CD2-CD1 4.28Å; L824-L844 HydrophobicContact CD2-CG 4.43Å; L824-F846 HydrophobicContact CD1-CD1 3.66Å; L824-F846 HydrophobicContact CD1-CE1 4.03Å; L824-F846 HydrophobicContact CD1-CG 4.43Å; L824-F846 HydrophobicContact CD2-CD1 4.07Å; L824-F846 HydrophobicContact CD2-CE1 3.91Å; L824-F846 HydrophobicContact CD2-CZ 4.22Å |
| 825 | L | 92.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 158.8 | 169.2 | -77.2 | 160.4 | 0 | 0 | 0 | 110.9 | K756 E827 D828 V829 E858 L861 R862 | K756-L825 HydrophobicContact CD-CD1 4.42Å; K756-L825 VanDerWaalsContact CE-CD1 3.48Å; K756-L825 HydrophobicContact CG-CD1 4.22Å; L825-E827 HydrophobicContact CB-CG 4.08Å; L825-E827 PolarHBondContact O-N 3.42Å; L825-D828 PolarHBondContact N-OD2 3.04Å; L825-D828 WeakPolarHBondContact O-CB 3.14Å; L825-D828 PolarHBondContact O-N 3.14Å; L825-V829 PolarHBondContact O-N 2.96Å; L825-E858 HydrophobicContact CD2-CB 3.65Å; L825-E858 HydrophobicContact CD2-CG 3.97Å; L825-L861 HydrophobicContact CD1-CB 4.18Å; L825-L861 HydrophobicContact CD2-CB 4.1Å; L825-L861 HydrophobicContact CD2-CD1 4.43Å; L825-L861 HydrophobicContact CG-CB 4.32Å; L825-R862 HydrophobicContact CD1-CG 3.71Å; L825-R862 HydrophobicContact CD2-CG 4.15Å |
| 826 | P | 92 | Very high | 89 | Confident | 59 Ų | 59 | 34 Ų | 34 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -52 | -38.6 | 177.6 | -28.5 | 34.5 | 0 | 0 | 0 | 113.9 | D828 V829 A830 E858 | P826-D828 VanDerWaalsContact C-N 3.34Å; P826-D828 PolarHBondContact O-N 3.36Å; P826-V829 PolarHBondContact O-N 2.97Å; P826-A830 VanDerWaalsContact O-CB 3.25Å; P826-A830 WeakPolarHBondContact O-CB 3.15Å; P826-A830 PolarHBondContact O-N 3.12Å; P826-E858 VanDerWaalsContact CG-CD 3.48Å; P826-E858 WeakPolarHBondContact CG-OE1 3.4Å |
| 827 | E | 94.2 | Very high | 89.2 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -34.3 | 174.3 | 53.9 | -95.1 | -133.2 | 0 | 0 | 113.5 | F360 Q753 K756 V757 L825 L831 R862 | F360-E827 HydrophobicContact CE2-CB 4.02Å; F360-E827 HydrophobicContact CZ-CB 4.16Å; Q753-E827 WeakPolarHBondContact CA-OE1 3.5Å; K756-E827 HydrophobicContact CD-CG 4.25Å; V757-E827 HydrophobicContact CG2-CB 3.83Å; V757-E827 HydrophobicContact CG2-CG 3.95Å; L825-E827 HydrophobicContact CB-CG 4.08Å; L825-E827 PolarHBondContact O-N 3.42Å; E827-L831 WeakPolarHBondContact O-CB 3.46Å; E827-L831 VanDerWaalsContact O-CG 3.26Å; E827-L831 WeakPolarHBondContact O-CG 3.4Å; E827-L831 PolarHBondContact O-N 2.79Å; E827-R862 IonicContact OE1-CZ 2.76Å; E827-R862 IonicContact OE1-NE 2.76Å; E827-R862 PolarHBondContact OE1-NE 2.98Å; E827-R862 IonicContact OE1-NH2 3.16Å; E827-R862 IonicContact OE2-CZ 3.68Å; E827-R862 IonicContact OE2-NE 3.53Å; E827-R862 PolarHBondContact OE2-NE 3.35Å; E827-R862 IonicContact OE2-NH2 3.07Å; E827-R862 PolarHBondContact OE2-NH2 3.35Å |
| 828 | D | 93.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.1 | -41.9 | 178.5 | -62.4 | -37.4 | 0 | 0 | 0 | 111.1 | K756 L824 L825 P826 L831 R832 L844 F846 | K756-D828 IonicContact NZ-OD1 3.27Å; K756-D828 PolarHBondContact NZ-OD1 2.98Å; K756-D828 IonicContact NZ-OD2 3.36Å; K756-D828 PolarHBondContact NZ-OD2 3.14Å; L824-D828 HydrophobicContact CD2-CB 4.46Å; L825-D828 PolarHBondContact N-OD2 3.04Å; L825-D828 WeakPolarHBondContact O-CB 3.14Å; L825-D828 PolarHBondContact O-N 3.14Å; P826-D828 VanDerWaalsContact C-N 3.34Å; P826-D828 PolarHBondContact O-N 3.36Å; D828-L831 CarbonylContact O-C 3.41Å; D828-L831 PolarHBondContact O-N 3.42Å; D828-R832 PolarHBondContact O-N 2.87Å; D828-L844 HydrophobicContact CB-CD1 3.91Å; D828-F846 HydrophobicContact CB-CE1 4.5Å; D828-F846 HydrophobicContact CB-CZ 4.37Å; D828-F846 WeakPolarHBondContact O-CE1 3.44Å |
| 829 | V | 90.9 | Very high | 89.9 | Confident | 56 Ų | 56 | 30.4 Ų | 30.4 | 34% | 0.339 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 173.8 | -177 | 0 | 0 | 0 | 0 | 110.2 | L824 L825 P826 L831 R832 | L824-V829 HydrophobicContact CB-CG2 3.99Å; L824-V829 HydrophobicContact CD1-CG2 4.31Å; L825-V829 PolarHBondContact O-N 2.96Å; P826-V829 PolarHBondContact O-N 2.97Å; V829-L831 VanDerWaalsContact C-N 3.29Å; V829-L831 PolarHBondContact O-N 2.82Å; V829-R832 WeakPolarHBondContact O-CB 3.44Å; V829-R832 PolarHBondContact O-N 2.98Å |
| 830 | A | 92.1 | Very high | 90.3 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -30.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R234 P826 | R234-A830 VanDerWaalsContact CZ-O 3.31Å; R234-A830 PolarHBondContact NH1-O 3.38Å; R234-A830 PolarHBondContact NH2-O 3.34Å; P826-A830 VanDerWaalsContact O-CB 3.25Å; P826-A830 WeakPolarHBondContact O-CB 3.15Å; P826-A830 PolarHBondContact O-N 3.12Å |
| 831 | L | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 9.7 | -179.6 | -56.9 | -174 | 0 | 0 | 0 | 114 | F360 V364 V757 E827 D828 V829 L834 L837 H841 | F360-L831 HydrophobicContact CE1-CD2 4.26Å; F360-L831 HydrophobicContact CE2-CD1 4.31Å; F360-L831 HydrophobicContact CZ-CD1 3.84Å; F360-L831 HydrophobicContact CZ-CD2 4.09Å; F360-L831 HydrophobicContact CZ-CG 3.97Å; V364-L831 HydrophobicContact CG1-CD1 4.39Å; V364-L831 HydrophobicContact CG1-CD2 3.9Å; V364-L831 HydrophobicContact CG2-CD1 3.76Å; V364-L831 HydrophobicContact CG2-CD2 4.18Å; V757-L831 HydrophobicContact CB-CD1 4.4Å; V757-L831 HydrophobicContact CG1-CD1 3.65Å; V757-L831 HydrophobicContact CG2-CD1 3.8Å; E827-L831 WeakPolarHBondContact O-CB 3.46Å; E827-L831 VanDerWaalsContact O-CG 3.26Å; E827-L831 WeakPolarHBondContact O-CG 3.4Å; E827-L831 PolarHBondContact O-N 2.79Å; D828-L831 CarbonylContact O-C 3.41Å; D828-L831 PolarHBondContact O-N 3.42Å; V829-L831 VanDerWaalsContact C-N 3.29Å; V829-L831 PolarHBondContact O-N 2.82Å; L831-L834 HydrophobicContact CD2-CD2 4.45Å; L831-L834 WeakPolarHBondContact O-CB 3.15Å; L831-L834 PolarHBondContact O-N 2.79Å; L831-L834 VanDerWaalsContact O-N 3.09Å; L831-L837 HydrophobicContact CB-CD1 3.93Å; L831-L837 HydrophobicContact CD1-CD1 3.57Å; L831-L837 HydrophobicContact CG-CD1 4.4Å; L831-H841 PolarHBondContact O-CE1 3.14Å; L831-H841 PolarHBondContact O-ND1 3.02Å |
| 832 | R | 91.1 | Very high | 91.6 | Very high | 81 Ų | 81 | 38 Ų | 38 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 145.9 | 172.5 | -164.1 | -166.6 | 163.8 | 132.6 | 5.8 | 111 | R234 D828 V829 L834 F846 | R234-R832 PolarHBondContact NH2-O 3.15Å; D828-R832 PolarHBondContact O-N 2.87Å; V829-R832 WeakPolarHBondContact O-CB 3.44Å; V829-R832 PolarHBondContact O-N 2.98Å; R832-L834 PolarHBondContact O-N 3.25Å; R832-L834 VanDerWaalsContact O-N 3.09Å; R832-F846 HydrophobicContact CB-CD1 4.33Å; R832-F846 HydrophobicContact CB-CE1 3.93Å; R832-F846 HydrophobicContact CB-CZ 4.42Å; R832-F846 HydrophobicContact CG-CD1 3.61Å; R832-F846 HydrophobicContact CG-CE1 3.68Å; R832-F846 HydrophobicContact CG-CG 4.08Å; R832-F846 HydrophobicContact CG-CZ 4.2Å; R832-F846 PolarHBondContact NH1-O 3.46Å; R832-F846 PolarHBondContact NH2-O 3.2Å |
| 833 | H | 90.4 | Very high | 91.9 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 32% | 0.315 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 2.2 | -173.3 | -66.4 | -94.4 | 0 | 0 | 0 | 116.6 | D239 P835 | D239-H833 IonicContact OD2-CE1 2.97Å; D239-H833 IonicContact OD2-CG 3.14Å; D239-H833 IonicContact OD2-ND1 3.22Å; D239-H833 PolarHBondContact OD2-ND1 3.37Å; H833-P835 VanDerWaalsContact O-CD 3.25Å; H833-P835 WeakPolarHBondContact O-CD 3.26Å |
| 834 | L | 94.5 | Very high | 92 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | trans | -66.7 | 119 | 178.7 | -170 | 66.4 | 0 | 0 | 0 | 112.3 | V364 M368 L831 R832 A836 L837 S838 | V364-L834 HydrophobicContact CG1-CD2 3.73Å; M368-L834 HydrophobicContact CG-CD1 3.79Å; M368-L834 HydrophobicContact CG-CD2 4.38Å; M368-L834 HydrophobicContact SD-CD1 3.8Å; L831-L834 HydrophobicContact CD2-CD2 4.45Å; L831-L834 WeakPolarHBondContact O-CB 3.15Å; L831-L834 PolarHBondContact O-N 2.79Å; L831-L834 VanDerWaalsContact O-N 3.09Å; R832-L834 PolarHBondContact O-N 3.25Å; R832-L834 VanDerWaalsContact O-N 3.09Å; L834-A836 VanDerWaalsContact C-N 3.27Å; L834-A836 HydrophobicContact CD2-CB 4.38Å; L834-A836 HydrophobicContact CG-CB 4.3Å; L834-A836 PolarHBondContact O-N 3.42Å; L834-L837 HydrophobicContact CD2-CD1 4.02Å; L834-L837 HydrophobicContact CD2-CG 4.22Å; L834-L837 PolarHBondContact O-N 2.88Å; L834-S838 PolarHBondContact O-N 3.5Å; L834-S838 VanDerWaalsContact O-N 3.08Å | ||
| 835 | P | 94.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -60 | -34.1 | -175.4 | -28.7 | 38.1 | 0 | 0 | 0 | 114 | Q237 H371 H833 L837 S838 | Q237-P835 HydrophobicContact CB-CG 4.18Å; Q237-P835 WeakPolarHBondContact O-CD 3.5Å; Q237-P835 WeakPolarHBondContact O-CG 3.49Å; H371-P835 WeakPolarHBondContact NE2-CB 3.44Å; H833-P835 VanDerWaalsContact O-CD 3.25Å; H833-P835 WeakPolarHBondContact O-CD 3.26Å; P835-L837 PolarHBondContact O-N 3.18Å; P835-S838 WeakPolarHBondContact O-CB 3.43Å; P835-S838 PolarHBondContact O-N 3.5Å; P835-S838 PolarHBondContact O-OG 3.02Å |
| 836 | A | 94.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -61.7 | -26.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | L367 H371 L834 | L367-A836 HydrophobicContact CB-CB 4.3Å; H371-A836 HydrophobicContact CB-CB 3.8Å; L834-A836 VanDerWaalsContact C-N 3.27Å; L834-A836 HydrophobicContact CD2-CB 4.38Å; L834-A836 HydrophobicContact CG-CB 4.3Å; L834-A836 PolarHBondContact O-N 3.42Å |
| 837 | L | 95.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -110 | 0.3 | 178.9 | -64.7 | 174 | 0 | 0 | 0 | 113 | L367 V757 W761 L831 L834 P835 V839 A840 H841 | L367-L837 HydrophobicContact CD1-CD2 4.39Å; V757-L837 HydrophobicContact CG1-CD1 3.9Å; V757-L837 HydrophobicContact CG1-CD2 4.38Å; W761-L837 HydrophobicContact CB-CD2 3.79Å; W761-L837 HydrophobicContact CG-CD2 4.48Å; L831-L837 HydrophobicContact CB-CD1 3.93Å; L831-L837 HydrophobicContact CD1-CD1 3.57Å; L831-L837 HydrophobicContact CG-CD1 4.4Å; L834-L837 HydrophobicContact CD2-CD1 4.02Å; L834-L837 HydrophobicContact CD2-CG 4.22Å; L834-L837 PolarHBondContact O-N 2.88Å; P835-L837 PolarHBondContact O-N 3.18Å; L837-V839 PolarHBondContact O-N 3.39Å; L837-A840 WeakPolarHBondContact O-CB 3.16Å; L837-A840 PolarHBondContact O-N 3.46Å; L837-H841 WeakPolarHBondContact O-CB 3.34Å; L837-H841 PolarHBondContact O-N 3.05Å |
| 838 | S | 92.9 | Very high | 89.4 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -51 | -35.2 | -173.2 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | L834 P835 R842 | L834-S838 PolarHBondContact O-N 3.5Å; L834-S838 VanDerWaalsContact O-N 3.08Å; P835-S838 WeakPolarHBondContact O-CB 3.43Å; P835-S838 PolarHBondContact O-N 3.5Å; P835-S838 PolarHBondContact O-OG 3.02Å; S838-R842 WeakPolarHBondContact O-CG 3.48Å; S838-R842 PolarHBondContact O-N 3.32Å |
| 839 | V | 92.5 | Very high | 88.1 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74 | -38.2 | 177.7 | -174.2 | 0 | 0 | 0 | 0 | 112 | T764 L837 | T764-V839 HydrophobicContact CG2-CB 4.23Å; T764-V839 HydrophobicContact CG2-CG1 3.88Å; L837-V839 PolarHBondContact O-N 3.39Å |
| 840 | A | 91.3 | Very high | 86.8 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D760 T764 L837 R842 R843 | D760-A840 HydrophobicContact CB-CB 4.15Å; T764-A840 HydrophobicContact CG2-CB 3.93Å; L837-A840 WeakPolarHBondContact O-CB 3.16Å; L837-A840 PolarHBondContact O-N 3.46Å; A840-R842 PolarHBondContact O-N 3.25Å; A840-R843 VanDerWaalsContact O-CB 3.3Å; A840-R843 WeakPolarHBondContact O-CB 3.31Å; A840-R843 WeakPolarHBondContact O-CG 3.32Å; A840-R843 PolarHBondContact O-N 2.73Å |
| 841 | H | 91.8 | Very high | 85.6 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.6 | -16.2 | 179.7 | -73.1 | -174.8 | 0 | 0 | 0 | 114.1 | L831 L837 R843 L844 F846 | L831-H841 PolarHBondContact O-CE1 3.14Å; L831-H841 PolarHBondContact O-ND1 3.02Å; L837-H841 WeakPolarHBondContact O-CB 3.34Å; L837-H841 PolarHBondContact O-N 3.05Å; H841-R843 PolarHBondContact O-N 3.03Å; H841-L844 PolarHBondContact O-N 2.72Å; H841-F846 HydrophobicContact CB-CE2 3.76Å; H841-F846 HydrophobicContact CB-CZ 4.41Å; H841-F846 AromaticContact CG-CE2 3.97Å |
| 842 | R | 89.8 | Confident | 84.7 | Confident | 202 Ų | 202 | 64.6 Ų | 64.6 | 76% | 0.762 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.9 | 167.2 | -74.2 | 168.6 | -169.3 | -172.5 | 1.3 | 113.9 | S838 A840 | S838-R842 WeakPolarHBondContact O-CG 3.48Å; S838-R842 PolarHBondContact O-N 3.32Å; A840-R842 PolarHBondContact O-N 3.25Å |
| 843 | R | 84.1 | Confident | 84.6 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 26% | 0.26 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.5 | 178.1 | -51.9 | 176.4 | 71.3 | -119.5 | -0.2 | 112.9 | G818 L819 A840 H841 | G818-R843 PolarHBondContact O-NH2 3.32Å; L819-R843 PolarHBondContact O-NH1 2.77Å; L819-R843 PolarHBondContact O-NH2 3.23Å; A840-R843 VanDerWaalsContact O-CB 3.3Å; A840-R843 WeakPolarHBondContact O-CB 3.31Å; A840-R843 WeakPolarHBondContact O-CG 3.32Å; A840-R843 PolarHBondContact O-N 2.73Å; H841-R843 PolarHBondContact O-N 3.03Å |
| 844 | L | 88.2 | Confident | 84.6 | Confident | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -114.1 | 134.9 | -172.8 | -57.6 | -177.9 | 0 | 0 | 0 | 110.4 | P821 L824 D828 H841 F846 | P821-L844 HydrophobicContact CB-CD2 3.6Å; P821-L844 HydrophobicContact CG-CD2 3.84Å; L824-L844 HydrophobicContact CD2-CB 3.75Å; L824-L844 HydrophobicContact CD2-CD1 4.28Å; L824-L844 HydrophobicContact CD2-CG 4.43Å; D828-L844 HydrophobicContact CB-CD1 3.91Å; H841-L844 PolarHBondContact O-N 2.72Å; L844-F846 HydrophobicContact CB-CD2 4.01Å; L844-F846 HydrophobicContact CB-CE2 3.59Å; L844-F846 HydrophobicContact CB-CZ 4.15Å; L844-F846 HydrophobicContact CD1-CE2 3.94Å; L844-F846 HydrophobicContact CD1-CZ 3.82Å; L844-F846 HydrophobicContact CG-CE2 4.35Å; L844-F846 PolarHBondContact O-N 2.97Å; L844-F846 VanDerWaalsContact O-N 3.17Å |
| 845 | D | 84 | Confident | 84.5 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | -88.7 | 82 | -177.9 | -171.6 | -7 | 0 | 0 | 0 | 112.1 | S847 R848 | D845-S847 PolarHBondContact O-N 3.36Å; D845-S847 VanDerWaalsContact O-N 3.08Å; D845-S847 WeakPolarHBondContact OD1-CB 3.35Å; D845-S847 PolarHBondContact OD1-N 3.21Å; D845-S847 VanDerWaalsContact OD1-N 3.08Å; D845-S847 PolarHBondContact OD1-OG 3.14Å; D845-R848 HydrophobicContact CB-CG 4.24Å; D845-R848 PolarHBondContact O-N 3.36Å; D845-R848 WeakPolarHBondContact OD2-CD 3.4Å; D845-R848 WeakPolarHBondContact OD2-CG 3.22Å; D845-R848 IonicContact OD2-CZ 2.79Å; D845-R848 IonicContact OD2-NE 3.79Å; D845-R848 PolarHBondContact OD2-NE 2.86Å; D845-R848 IonicContact OD2-NH2 2.78Å | ||
| 846 | F | 85.2 | Confident | 84.4 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 10.6 | 175.7 | -71.3 | -73.4 | 0 | 0 | 0 | 115.1 | L824 D828 R832 H841 L844 | L824-F846 HydrophobicContact CD1-CD1 3.66Å; L824-F846 HydrophobicContact CD1-CE1 4.03Å; L824-F846 HydrophobicContact CD1-CG 4.43Å; L824-F846 HydrophobicContact CD2-CD1 4.07Å; L824-F846 HydrophobicContact CD2-CE1 3.91Å; L824-F846 HydrophobicContact CD2-CZ 4.22Å; D828-F846 HydrophobicContact CB-CE1 4.5Å; D828-F846 HydrophobicContact CB-CZ 4.37Å; D828-F846 WeakPolarHBondContact O-CE1 3.44Å; R832-F846 HydrophobicContact CB-CD1 4.33Å; R832-F846 HydrophobicContact CB-CE1 3.93Å; R832-F846 HydrophobicContact CB-CZ 4.42Å; R832-F846 HydrophobicContact CG-CD1 3.61Å; R832-F846 HydrophobicContact CG-CE1 3.68Å; R832-F846 HydrophobicContact CG-CG 4.08Å; R832-F846 HydrophobicContact CG-CZ 4.2Å; R832-F846 PolarHBondContact NH1-O 3.46Å; R832-F846 PolarHBondContact NH2-O 3.2Å; H841-F846 HydrophobicContact CB-CE2 3.76Å; H841-F846 HydrophobicContact CB-CZ 4.41Å; H841-F846 AromaticContact CG-CE2 3.97Å; L844-F846 HydrophobicContact CB-CD2 4.01Å; L844-F846 HydrophobicContact CB-CE2 3.59Å; L844-F846 HydrophobicContact CB-CZ 4.15Å; L844-F846 HydrophobicContact CD1-CE2 3.94Å; L844-F846 HydrophobicContact CD1-CZ 3.82Å; L844-F846 HydrophobicContact CG-CE2 4.35Å; L844-F846 PolarHBondContact O-N 2.97Å; L844-F846 VanDerWaalsContact O-N 3.17Å |
| 847 | S | 75.8 | Confident | 84.3 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 74% | 0.741 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -16.8 | 171.4 | 79.2 | 0 | 0 | 0 | 0 | 113.6 | D845 | D845-S847 PolarHBondContact O-N 3.36Å; D845-S847 VanDerWaalsContact O-N 3.08Å; D845-S847 WeakPolarHBondContact OD1-CB 3.35Å; D845-S847 PolarHBondContact OD1-N 3.21Å; D845-S847 VanDerWaalsContact OD1-N 3.08Å; D845-S847 PolarHBondContact OD1-OG 3.14Å |
| 848 | R | 70.9 | Confident | 84.2 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -70 | 149.9 | 175.1 | -71.4 | 174.2 | -175.4 | -131.6 | -4.2 | 111.5 | E806 D845 | E806-R848 IonicContact OE2-NH1 3.55Å; D845-R848 HydrophobicContact CB-CG 4.24Å; D845-R848 PolarHBondContact O-N 3.36Å; D845-R848 WeakPolarHBondContact OD2-CD 3.4Å; D845-R848 WeakPolarHBondContact OD2-CG 3.22Å; D845-R848 IonicContact OD2-CZ 2.79Å; D845-R848 IonicContact OD2-NE 3.79Å; D845-R848 PolarHBondContact OD2-NE 2.86Å; D845-R848 IonicContact OD2-NH2 2.78Å |
| 849 | R | 64.8 | Low | 84.3 | Confident | 151 Ų | 151 | 67.1 Ų | 67.1 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | trans | -69.2 | 135.1 | 163.8 | -62 | -176.5 | -173.9 | -138.1 | 0.9 | 108.3 | E133 D136 A851 | E133-R849 IonicContact OE2-CZ 2.82Å; E133-R849 IonicContact OE2-NH2 3.23Å; E133-R849 PolarHBondContact OE2-NH2 3.46Å; D136-R849 IonicContact OD1-NH1 2.76Å; D136-R849 WeakPolarHBondContact OD2-CD 3.49Å; D136-R849 WeakPolarHBondContact OD2-CG 3.35Å; D136-R849 IonicContact OD2-CZ 3.5Å; D136-R849 IonicContact OD2-NE 3.67Å; D136-R849 PolarHBondContact OD2-NE 3.05Å; D136-R849 IonicContact OD2-NH1 2.73Å; D136-R849 PolarHBondContact OD2-NH1 3.43Å; R849-A851 PolarHBondContact O-N 3.33Å; R849-A851 VanDerWaalsContact O-N 3.13Å | ||
| 850 | N | 64.3 | Low | 84.4 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | trans | -63.3 | 114.8 | 175.9 | -71.6 | -20.4 | 0 | 0 | 0 | 109.5 | ||||
| 851 | A | 67.3 | Low | 84.5 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | trans | -62.8 | 138.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | L823 R849 L853 | L823-A851 HydrophobicContact CD2-CB 4.43Å; R849-A851 PolarHBondContact O-N 3.33Å; R849-A851 VanDerWaalsContact O-N 3.13Å; A851-L853 VanDerWaalsContact C-N 3.33Å; A851-L853 PolarHBondContact O-N 3.43Å | ||
| 852 | S | 76.2 | Confident | 84.7 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 84% | 0.839 | 33% | 0.33 | S | S | * | . | trans | -73.3 | 87.7 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 853 | L | 88.3 | Confident | 84.9 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | trans | -68.5 | 146.4 | 176.1 | -61.2 | 172.2 | 0 | 0 | 0 | 110.5 | V807 L823 A851 Q857 E858 L861 | V807-L853 HydrophobicContact CG2-CD2 4.25Å; L823-L853 HydrophobicContact CD1-CD2 4.27Å; A851-L853 VanDerWaalsContact C-N 3.33Å; A851-L853 PolarHBondContact O-N 3.43Å; L853-Q857 HydrophobicContact CB-CB 4.33Å; L853-Q857 HydrophobicContact CD2-CB 4.25Å; L853-E858 HydrophobicContact CB-CG 3.97Å; L853-E858 HydrophobicContact CD1-CG 4.31Å; L853-L861 HydrophobicContact CD1-CD1 3.64Å; L853-L861 HydrophobicContact CD2-CD1 4.19Å | ||
| 854 | S | 91.4 | Very high | 85.4 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | trans | -81.7 | 157.4 | 165.9 | 71.2 | 0 | 0 | 0 | 0 | 110.9 | L856 Q857 E858 | S854-L856 PolarHBondContact O-N 3.14Å; S854-L856 VanDerWaalsContact O-N 3.14Å; S854-Q857 WeakPolarHBondContact O-CA 3.42Å; S854-Q857 WeakPolarHBondContact O-CB 3.41Å; S854-Q857 PolarHBondContact O-N 2.86Å; S854-Q857 WeakPolarHBondContact OG-CG 3.31Å; S854-Q857 PolarHBondContact OG-N 3.44Å; S854-E858 PolarHBondContact O-N 3.31Å | ||
| 855 | P | 91.9 | Very high | 85.7 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -54.2 | -34.8 | 176.1 | -28.1 | 36 | 0 | 0 | 0 | 113.5 | E858 C859 | P855-E858 PolarHBondContact O-N 3.04Å; P855-C859 WeakPolarHBondContact O-CB 3.24Å; P855-C859 PolarHBondContact O-N 3.28Å |
| 856 | L | 91.8 | Very high | 86.3 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 173.2 | -179.4 | 63.7 | 0 | 0 | 0 | 112.2 | L743 S854 C859 V860 | L743-L856 HydrophobicContact CB-CD1 3.84Å; L743-L856 HydrophobicContact CD1-CD1 4.13Å; L743-L856 HydrophobicContact CG-CD1 4.42Å; S854-L856 PolarHBondContact O-N 3.14Å; S854-L856 VanDerWaalsContact O-N 3.14Å; L856-C859 WeakPolarHBondContact O-CB 3.49Å; L856-C859 PolarHBondContact O-N 3.45Å; L856-V860 WeakPolarHBondContact O-CG2 3.43Å; L856-V860 PolarHBondContact O-N 3.44Å |
| 857 | Q | 92.7 | Very high | 86.8 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 176.1 | -72.9 | 169.3 | -3.2 | 0 | 0 | 111.2 | L803 V807 L853 S854 C859 V860 L861 | L803-Q857 HydrophobicContact CD2-CG 3.98Å; V807-Q857 HydrophobicContact CG2-CB 4.3Å; V807-Q857 HydrophobicContact CG2-CG 4.38Å; L853-Q857 HydrophobicContact CB-CB 4.33Å; L853-Q857 HydrophobicContact CD2-CB 4.25Å; S854-Q857 WeakPolarHBondContact O-CA 3.42Å; S854-Q857 WeakPolarHBondContact O-CB 3.41Å; S854-Q857 PolarHBondContact O-N 2.86Å; S854-Q857 WeakPolarHBondContact OG-CG 3.31Å; S854-Q857 PolarHBondContact OG-N 3.44Å; Q857-C859 VanDerWaalsContact C-N 3.34Å; Q857-C859 PolarHBondContact O-N 3.3Å; Q857-V860 PolarHBondContact O-N 2.97Å; Q857-L861 WeakPolarHBondContact O-CB 3.43Å; Q857-L861 VanDerWaalsContact O-CG 3.24Å; Q857-L861 WeakPolarHBondContact O-CG 3.38Å; Q857-L861 PolarHBondContact O-N 3.4Å |
| 858 | E | 93.9 | Very high | 87.7 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 172.3 | -62.7 | -174 | -171.4 | 0 | 0 | 112.1 | L825 P826 L853 S854 P855 L861 R862 | L825-E858 HydrophobicContact CD2-CB 3.65Å; L825-E858 HydrophobicContact CD2-CG 3.97Å; P826-E858 VanDerWaalsContact CG-CD 3.48Å; P826-E858 WeakPolarHBondContact CG-OE1 3.4Å; L853-E858 HydrophobicContact CB-CG 3.97Å; L853-E858 HydrophobicContact CD1-CG 4.31Å; S854-E858 PolarHBondContact O-N 3.31Å; P855-E858 PolarHBondContact O-N 3.04Å; E858-L861 PolarHBondContact O-N 3.35Å; E858-R862 VanDerWaalsContact CB-NH1 3.3Å; E858-R862 WeakPolarHBondContact O-CG 3.48Å; E858-R862 PolarHBondContact O-N 3.49Å; E858-R862 IonicContact OE2-CZ 3.3Å; E858-R862 VanDerWaalsContact OE2-CZ 3.23Å; E858-R862 IonicContact OE2-NH1 3.81Å; E858-R862 PolarHBondContact OE2-NH1 3.06Å; E858-R862 IonicContact OE2-NH2 2.67Å; E858-R862 PolarHBondContact OE2-NH2 2.91Å |
| 859 | C | 94.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | L746 S747 P855 L856 Q857 L861 R862 V863 | L746-C859 VanDerWaalsContact CB-SG 3.55Å; S747-C859 VanDerWaalsContact OG-CB 3.29Å; S747-C859 WeakPolarHBondContact OG-CB 3.16Å; P855-C859 WeakPolarHBondContact O-CB 3.24Å; P855-C859 PolarHBondContact O-N 3.28Å; L856-C859 WeakPolarHBondContact O-CB 3.49Å; L856-C859 PolarHBondContact O-N 3.45Å; Q857-C859 VanDerWaalsContact C-N 3.34Å; Q857-C859 PolarHBondContact O-N 3.3Å; C859-L861 VanDerWaalsContact C-N 3.32Å; C859-L861 PolarHBondContact O-N 2.99Å; C859-R862 PolarHBondContact O-N 3.04Å; C859-V863 WeakPolarHBondContact O-CG2 3.28Å; C859-V863 PolarHBondContact O-N 3.1Å |
| 860 | V | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 176 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L743 L803 V807 L811 L856 Q857 V863 C864 | L743-V860 HydrophobicContact CD2-CG2 4.3Å; L803-V860 HydrophobicContact CD1-CG1 4.29Å; L803-V860 HydrophobicContact CD2-CG2 4.43Å; V807-V860 HydrophobicContact CG1-CB 4.49Å; V807-V860 HydrophobicContact CG1-CG1 3.94Å; L811-V860 HydrophobicContact CD1-CG1 4.19Å; L811-V860 HydrophobicContact CD2-CG1 4.46Å; L856-V860 WeakPolarHBondContact O-CG2 3.43Å; L856-V860 PolarHBondContact O-N 3.44Å; Q857-V860 PolarHBondContact O-N 2.97Å; V860-V863 PolarHBondContact O-N 3.36Å; V860-C864 PolarHBondContact O-N 3.19Å; V860-C864 PolarHBondContact O-SG 2.95Å |
| 861 | L | 93.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -38.3 | 176.8 | -70.3 | 169.7 | 0 | 0 | 0 | 113.1 | V807 M810 L823 L825 L853 Q857 E858 C859 C864 C865 | V807-L861 HydrophobicContact CG1-CD2 4.28Å; V807-L861 HydrophobicContact CG1-CG 4.34Å; V807-L861 HydrophobicContact CG2-CD1 4.15Å; V807-L861 HydrophobicContact CG2-CD2 4.27Å; V807-L861 HydrophobicContact CG2-CG 4.26Å; M810-L861 HydrophobicContact CB-CD2 4.2Å; M810-L861 HydrophobicContact CE-CD2 3.47Å; M810-L861 VanDerWaalsContact CE-CD2 3.47Å; M810-L861 HydrophobicContact CG-CD2 4.49Å; M810-L861 HydrophobicContact SD-CD2 3.54Å; M810-L861 VanDerWaalsContact SD-CD2 3.54Å; L823-L861 HydrophobicContact CB-CD1 4.05Å; L823-L861 HydrophobicContact CD1-CD1 4.04Å; L823-L861 HydrophobicContact CD1-CD2 4.2Å; L825-L861 HydrophobicContact CD1-CB 4.18Å; L825-L861 HydrophobicContact CD2-CB 4.1Å; L825-L861 HydrophobicContact CD2-CD1 4.43Å; L825-L861 HydrophobicContact CG-CB 4.32Å; L853-L861 HydrophobicContact CD1-CD1 3.64Å; L853-L861 HydrophobicContact CD2-CD1 4.19Å; Q857-L861 WeakPolarHBondContact O-CB 3.43Å; Q857-L861 VanDerWaalsContact O-CG 3.24Å; Q857-L861 WeakPolarHBondContact O-CG 3.38Å; Q857-L861 PolarHBondContact O-N 3.4Å; E858-L861 PolarHBondContact O-N 3.35Å; C859-L861 VanDerWaalsContact C-N 3.32Å; C859-L861 PolarHBondContact O-N 2.99Å; L861-C864 PolarHBondContact O-N 3.06Å; L861-C865 PolarHBondContact O-N 3.45Å; L861-C865 PolarHBondContact O-SG 3.44Å |
| 862 | R | 95.2 | Very high | 92.9 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 11% | 0.113 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 172.5 | -72.8 | 174.2 | -176.2 | 115.2 | 10.4 | 110.8 | K756 L825 E827 E858 C859 C865 I866 | K756-R862 HydrophobicContact CG-CG 4.29Å; L825-R862 HydrophobicContact CD1-CG 3.71Å; L825-R862 HydrophobicContact CD2-CG 4.15Å; E827-R862 IonicContact OE1-CZ 2.76Å; E827-R862 IonicContact OE1-NE 2.76Å; E827-R862 PolarHBondContact OE1-NE 2.98Å; E827-R862 IonicContact OE1-NH2 3.16Å; E827-R862 IonicContact OE2-CZ 3.68Å; E827-R862 IonicContact OE2-NE 3.53Å; E827-R862 PolarHBondContact OE2-NE 3.35Å; E827-R862 IonicContact OE2-NH2 3.07Å; E827-R862 PolarHBondContact OE2-NH2 3.35Å; E858-R862 VanDerWaalsContact CB-NH1 3.3Å; E858-R862 WeakPolarHBondContact O-CG 3.48Å; E858-R862 PolarHBondContact O-N 3.49Å; E858-R862 IonicContact OE2-CZ 3.3Å; E858-R862 VanDerWaalsContact OE2-CZ 3.23Å; E858-R862 IonicContact OE2-NH1 3.81Å; E858-R862 PolarHBondContact OE2-NH1 3.06Å; E858-R862 IonicContact OE2-NH2 2.67Å; E858-R862 PolarHBondContact OE2-NH2 2.91Å; C859-R862 PolarHBondContact O-N 3.04Å; R862-C865 PolarHBondContact O-N 3.48Å; R862-I866 VanDerWaalsContact O-CG1 3.3Å; R862-I866 WeakPolarHBondContact O-CG1 3.33Å; R862-I866 PolarHBondContact O-N 3.38Å; R862-I866 VanDerWaalsContact O-N 3.08Å |
| 863 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 173.4 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L790 L796 C859 V860 C865 I866 R867 | L790-V863 HydrophobicContact CB-CG1 4.2Å; L790-V863 HydrophobicContact CD1-CG1 4.41Å; L790-V863 HydrophobicContact CD1-CG2 4.44Å; L790-V863 HydrophobicContact CD2-CG2 4.33Å; L796-V863 HydrophobicContact CD1-CG1 4.12Å; C859-V863 WeakPolarHBondContact O-CG2 3.28Å; C859-V863 PolarHBondContact O-N 3.1Å; V860-V863 PolarHBondContact O-N 3.36Å; V863-C865 PolarHBondContact O-N 2.83Å; V863-I866 PolarHBondContact O-N 3.17Å; V863-R867 HydrophobicContact CG1-CG 4.15Å; V863-R867 WeakPolarHBondContact O-CB 3.28Å; V863-R867 WeakPolarHBondContact O-CG 3.44Å; V863-R867 PolarHBondContact O-N 3.27Å |
| 864 | C | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.7 | -47.4 | 177.9 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | L811 C814 L819 V860 L861 I866 S868 | L811-C864 VanDerWaalsContact CD1-SG 3.59Å; C814-C864 HydrophobicContact CB-CB 4.26Å; L819-C864 VanDerWaalsContact CD2-C 3.48Å; L819-C864 HydrophobicContact CD2-CB 3.81Å; L819-C864 VanDerWaalsContact CD2-O 3.3Å; L819-C864 WeakPolarHBondContact CD2-O 3.45Å; V860-C864 PolarHBondContact O-N 3.19Å; V860-C864 PolarHBondContact O-SG 2.95Å; L861-C864 PolarHBondContact O-N 3.06Å; C864-I866 VanDerWaalsContact C-N 3.34Å; C864-I866 PolarHBondContact O-N 2.78Å; C864-S868 WeakPolarHBondContact O-CB 3.29Å; C864-S868 PolarHBondContact O-N 2.68Å |
| 865 | C | 94.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 178.4 | -66 | 0 | 0 | 0 | 0 | 112.3 | K756 L861 R862 V863 F869 | K756-C865 HydrophobicContact CG-CB 4.22Å; L861-C865 PolarHBondContact O-N 3.45Å; L861-C865 PolarHBondContact O-SG 3.44Å; R862-C865 PolarHBondContact O-N 3.48Å; V863-C865 PolarHBondContact O-N 2.83Å; C865-F869 PolarHBondContact O-N 2.87Å; C865-F869 VanDerWaalsContact O-N 3.17Å |
| 866 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -73.9 | -45.9 | -177.8 | -64.7 | 165.7 | 0 | 0 | 0 | 111.2 | M752 V755 V759 L787 L790 R862 V863 C864 S868 F869 G870 | M752-I866 HydrophobicContact CE-CD1 3.67Å; V755-I866 HydrophobicContact CB-CD1 4.19Å; V755-I866 HydrophobicContact CG1-CD1 3.88Å; V755-I866 HydrophobicContact CG1-CG1 4.26Å; V759-I866 HydrophobicContact CG2-CG1 4.16Å; L787-I866 HydrophobicContact CD2-CG2 4Å; L787-I866 WeakPolarHBondContact CD2-O 3.4Å; L790-I866 HydrophobicContact CD1-CB 3.98Å; L790-I866 HydrophobicContact CD1-CG2 3.68Å; R862-I866 VanDerWaalsContact O-CG1 3.3Å; R862-I866 WeakPolarHBondContact O-CG1 3.33Å; R862-I866 PolarHBondContact O-N 3.38Å; R862-I866 VanDerWaalsContact O-N 3.08Å; V863-I866 PolarHBondContact O-N 3.17Å; C864-I866 VanDerWaalsContact C-N 3.34Å; C864-I866 PolarHBondContact O-N 2.78Å; I866-S868 PolarHBondContact O-N 3.41Å; I866-F869 WeakPolarHBondContact O-CA 3.36Å; I866-F869 WeakPolarHBondContact O-CB 3.43Å; I866-F869 PolarHBondContact O-N 2.86Å; I866-G870 PolarHBondContact O-N 3.03Å |
| 867 | R | 94.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.6 | -71.9 | -170.6 | 62.8 | 88.3 | 9.7 | 112.4 | L787 L790 P791 E815 V863 F869 G870 H871 | L787-R867 PolarHBondContact O-NH1 2.81Å; L787-R867 VanDerWaalsContact O-NH1 3.09Å; L790-R867 HydrophobicContact CB-CG 4.16Å; L790-R867 HydrophobicContact CD1-CG 4.13Å; L790-R867 PolarHBondContact O-NH1 2.7Å; P791-R867 WeakPolarHBondContact O-CD 3.39Å; E815-R867 VanDerWaalsContact CD-NH2 3.31Å; E815-R867 IonicContact OE1-CZ 2.63Å; E815-R867 VanDerWaalsContact OE1-CZ 3.3Å; E815-R867 IonicContact OE1-NE 3.61Å; E815-R867 PolarHBondContact OE1-NE 3.18Å; E815-R867 IonicContact OE1-NH2 3.72Å; E815-R867 PolarHBondContact OE1-NH2 2.95Å; E815-R867 VanDerWaalsContact OE1-NH2 3.07Å; E815-R867 IonicContact OE2-CZ 2.66Å; E815-R867 IonicContact OE2-NE 3.15Å; E815-R867 IonicContact OE2-NH2 2.8Å; E815-R867 PolarHBondContact OE2-NH2 2.96Å; V863-R867 HydrophobicContact CG1-CG 4.15Å; V863-R867 WeakPolarHBondContact O-CB 3.28Å; V863-R867 WeakPolarHBondContact O-CG 3.44Å; V863-R867 PolarHBondContact O-N 3.27Å; R867-F869 VanDerWaalsContact C-N 3.25Å; R867-F869 PolarHBondContact O-N 3.42Å; R867-G870 WeakPolarHBondContact O-CA 3.38Å; R867-G870 PolarHBondContact O-N 3.47Å; R867-H871 PolarHBondContact O-CD2 2.63Å; R867-H871 PolarHBondContact O-N 2.92Å; R867-H871 VanDerWaalsContact O-N 3.14Å |
| 868 | S | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -34.7 | 171.1 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | R763 C814 Q816 L819 C864 I866 H871 F872 | R763-S868 VanDerWaalsContact NH2-C 3.35Å; R763-S868 PolarHBondContact NH2-OG 2.84Å; C814-S868 WeakPolarHBondContact O-CA 3.39Å; C814-S868 PolarHBondContact O-N 3.22Å; C814-S868 VanDerWaalsContact O-N 3.13Å; Q816-S868 VanDerWaalsContact O-CB 3.3Å; Q816-S868 WeakPolarHBondContact O-CB 3.32Å; Q816-S868 PolarHBondContact O-OG 3.42Å; L819-S868 VanDerWaalsContact CB-OG 3.27Å; L819-S868 WeakPolarHBondContact CB-OG 3.47Å; C864-S868 WeakPolarHBondContact O-CB 3.29Å; C864-S868 PolarHBondContact O-N 2.68Å; I866-S868 PolarHBondContact O-N 3.41Å; S868-H871 PolarHBondContact O-N 3.09Å; S868-F872 WeakPolarHBondContact O-CB 3.35Å; S868-F872 PolarHBondContact O-N 2.9Å |
| 869 | F | 95.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.3 | -33.5 | 174.5 | -179.3 | -107.2 | 0 | 0 | 0 | 112.3 | V759 L762 R763 I769 L783 C865 I866 R867 F872 L873 | V759-F869 HydrophobicContact CB-CB 4.05Å; V759-F869 HydrophobicContact CB-CD1 3.52Å; V759-F869 HydrophobicContact CB-CD2 4.17Å; V759-F869 HydrophobicContact CB-CE1 3.91Å; V759-F869 HydrophobicContact CB-CG 3.64Å; V759-F869 HydrophobicContact CB-CZ 4.41Å; V759-F869 HydrophobicContact CG1-CD1 3.42Å; V759-F869 VanDerWaalsContact CG1-CD1 3.42Å; V759-F869 HydrophobicContact CG1-CE1 3.69Å; V759-F869 HydrophobicContact CG1-CG 4.08Å; V759-F869 HydrophobicContact CG2-CB 4.27Å; V759-F869 HydrophobicContact CG2-CG 4.39Å; L762-F869 HydrophobicContact CB-CE2 4.01Å; L762-F869 HydrophobicContact CB-CZ 3.62Å; L762-F869 HydrophobicContact CD1-CE1 4.32Å; L762-F869 HydrophobicContact CD1-CZ 4.04Å; R763-F869 HydrophobicContact CB-CD2 3.93Å; R763-F869 HydrophobicContact CB-CE2 3.96Å; R763-F869 HydrophobicContact CG-CD2 4.42Å; I769-F869 HydrophobicContact CD1-CE2 4.33Å; I769-F869 HydrophobicContact CD1-CZ 4.26Å; L783-F869 HydrophobicContact CD2-CD1 4.2Å; L783-F869 HydrophobicContact CD2-CE1 3.84Å; C865-F869 PolarHBondContact O-N 2.87Å; C865-F869 VanDerWaalsContact O-N 3.17Å; I866-F869 WeakPolarHBondContact O-CA 3.36Å; I866-F869 WeakPolarHBondContact O-CB 3.43Å; I866-F869 PolarHBondContact O-N 2.86Å; R867-F869 VanDerWaalsContact C-N 3.25Å; R867-F869 PolarHBondContact O-N 3.42Å; F869-F872 HydrophobicContact CD2-CB 4.47Å; F869-F872 AromaticContact CD2-CD1 3.81Å; F869-F872 HydrophobicContact CD2-CD1 3.81Å; F869-F872 HydrophobicContact CD2-CG 4.49Å; F869-F872 AromaticContact CE2-CD1 3.75Å; F869-F872 HydrophobicContact CE2-CD1 3.75Å; F869-F872 HydrophobicContact CE2-CE1 4.14Å; F869-F872 WeakPolarHBondContact O-CB 3.25Å; F869-F872 PolarHBondContact O-N 3.28Å; F869-L873 HydrophobicContact CD1-CD1 4.09Å; F869-L873 HydrophobicContact CD1-CG 4.38Å; F869-L873 HydrophobicContact CE1-CD1 3.58Å; F869-L873 HydrophobicContact CE1-CD2 4.35Å; F869-L873 HydrophobicContact CE1-CG 3.96Å; F869-L873 HydrophobicContact CE2-CD2 4.37Å; F869-L873 HydrophobicContact CE2-CG 4.37Å; F869-L873 HydrophobicContact CZ-CD1 4.01Å; F869-L873 HydrophobicContact CZ-CD2 3.9Å; F869-L873 HydrophobicContact CZ-CG 3.94Å; F869-L873 WeakPolarHBondContact O-CG 3.34Å; F869-L873 PolarHBondContact O-N 3.42Å |
| 870 | G | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.9 | -50.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I866 R867 F872 L873 T874 F890 | I866-G870 PolarHBondContact O-N 3.03Å; R867-G870 WeakPolarHBondContact O-CA 3.38Å; R867-G870 PolarHBondContact O-N 3.47Å; G870-F872 VanDerWaalsContact C-N 3.33Å; G870-F872 PolarHBondContact O-N 2.96Å; G870-L873 PolarHBondContact O-N 2.7Å; G870-T874 PolarHBondContact O-N 2.77Å; G870-F890 VanDerWaalsContact C-CE1 3.43Å |
| 871 | H | 93.4 | Very high | 89 | Confident | 14 Ų | 14 | 28.7 Ų | 28.7 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -27.8 | 176.1 | -69.3 | -65.7 | 0 | 0 | 0 | 113.9 | E815 P817 R867 S868 T874 N875 F883 F890 | E815-H871 VanDerWaalsContact CA-CD2 3.47Å; E815-H871 WeakPolarHBondContact CA-CD2 3.36Å; E815-H871 PolarHBondContact O-CD2 2.72Å; E815-H871 IonicContact OE2-CD2 2.73Å; E815-H871 IonicContact OE2-CE1 2.68Å; E815-H871 IonicContact OE2-NE2 3.91Å; E815-H871 PolarHBondContact OE2-NE2 3.48Å; P817-H871 HydrophobicContact CB-CB 4.42Å; R867-H871 PolarHBondContact O-CD2 2.63Å; R867-H871 PolarHBondContact O-N 2.92Å; R867-H871 VanDerWaalsContact O-N 3.14Å; S868-H871 PolarHBondContact O-N 3.09Å; H871-T874 PolarHBondContact O-OG1 3.34Å; H871-N875 PolarHBondContact O-N 3.05Å; H871-N875 PolarHBondContact O-ND2 2.8Å; H871-F883 AromaticContact CE1-CD1 3.77Å; H871-F883 AromaticContact CE1-CD2 3.73Å; H871-F883 AromaticContact CE1-CE1 3.85Å; H871-F883 AromaticContact CE1-CE2 3.82Å; H871-F883 AromaticContact CE1-CG 3.71Å; H871-F883 AromaticContact CE1-CZ 3.88Å; H871-F890 AromaticContact CD2-CZ 3.8Å; H871-F890 AromaticContact CE1-CE1 3.91Å; H871-F890 AromaticContact CE1-CZ 3.64Å; H871-F890 AromaticContact ND1-CE1 3.86Å; H871-F890 AromaticContact ND1-CZ 3.98Å; H871-F890 AromaticContact NE2-CZ 3.52Å |
| 872 | F | 93.6 | Very high | 88.7 | Confident | 40 Ų | 40 | 32 Ų | 32 | 18% | 0.175 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 170.5 | 173.6 | -98.5 | 0 | 0 | 0 | 111.6 | R763 T766 I769 P817 S868 F869 G870 T874 N875 L876 | R763-F872 HydrophobicContact CB-CE1 4.39Å; R763-F872 HydrophobicContact CG-CD1 4.25Å; R763-F872 HydrophobicContact CG-CD2 4.44Å; R763-F872 HydrophobicContact CG-CE1 4.11Å; R763-F872 HydrophobicContact CG-CE2 4.3Å; R763-F872 HydrophobicContact CG-CG 4.4Å; R763-F872 HydrophobicContact CG-CZ 4.12Å; R763-F872 WeakPolarHBondContact O-CZ 3.41Å; T766-F872 HydrophobicContact CG2-CE1 4.18Å; T766-F872 HydrophobicContact CG2-CZ 3.69Å; I769-F872 HydrophobicContact CD1-CE1 4.18Å; P817-F872 HydrophobicContact CB-CB 4.39Å; S868-F872 WeakPolarHBondContact O-CB 3.35Å; S868-F872 PolarHBondContact O-N 2.9Å; F869-F872 HydrophobicContact CD2-CB 4.47Å; F869-F872 AromaticContact CD2-CD1 3.81Å; F869-F872 HydrophobicContact CD2-CD1 3.81Å; F869-F872 HydrophobicContact CD2-CG 4.49Å; F869-F872 AromaticContact CE2-CD1 3.75Å; F869-F872 HydrophobicContact CE2-CD1 3.75Å; F869-F872 HydrophobicContact CE2-CE1 4.14Å; F869-F872 WeakPolarHBondContact O-CB 3.25Å; F869-F872 PolarHBondContact O-N 3.28Å; G870-F872 VanDerWaalsContact C-N 3.33Å; G870-F872 PolarHBondContact O-N 2.96Å; F872-T874 PolarHBondContact O-N 3.24Å; F872-N875 PolarHBondContact O-N 3.2Å; F872-L876 HydrophobicContact CE1-CD1 4.34Å; F872-L876 HydrophobicContact CZ-CD1 4.19Å; F872-L876 PolarHBondContact O-N 2.97Å |
| 873 | L | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.5 | -28.9 | 177.8 | -71.9 | 177.4 | 0 | 0 | 0 | 113.9 | I769 W780 L783 F869 G870 N875 V880 L881 | I769-L873 HydrophobicContact CD1-CD2 3.99Å; I769-L873 HydrophobicContact CG2-CD2 3.86Å; W780-L873 HydrophobicContact CE3-CD1 4.3Å; W780-L873 HydrophobicContact CZ3-CD1 4.22Å; L783-L873 HydrophobicContact CD2-CD1 3.6Å; F869-L873 HydrophobicContact CD1-CD1 4.09Å; F869-L873 HydrophobicContact CD1-CG 4.38Å; F869-L873 HydrophobicContact CE1-CD1 3.58Å; F869-L873 HydrophobicContact CE1-CD2 4.35Å; F869-L873 HydrophobicContact CE1-CG 3.96Å; F869-L873 HydrophobicContact CE2-CD2 4.37Å; F869-L873 HydrophobicContact CE2-CG 4.37Å; F869-L873 HydrophobicContact CZ-CD1 4.01Å; F869-L873 HydrophobicContact CZ-CD2 3.9Å; F869-L873 HydrophobicContact CZ-CG 3.94Å; F869-L873 WeakPolarHBondContact O-CG 3.34Å; F869-L873 PolarHBondContact O-N 3.42Å; G870-L873 PolarHBondContact O-N 2.7Å; L873-N875 VanDerWaalsContact C-N 3.31Å; L873-V880 HydrophobicContact CD2-CB 4.49Å; L873-V880 HydrophobicContact CD2-CG1 4.46Å; L873-L881 HydrophobicContact CB-CB 4.3Å; L873-L881 HydrophobicContact CB-CD1 4.02Å; L873-L881 HydrophobicContact CB-CG 4.13Å; L873-L881 HydrophobicContact CD1-CD1 3.74Å; L873-L881 HydrophobicContact CD1-CG 4.18Å |
| 874 | T | 90.8 | Very high | 87.9 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.5 | -23.6 | 175.4 | 61.3 | 0 | 0 | 0 | 0 | 113 | G870 H871 F872 L881 F883 F890 | G870-T874 PolarHBondContact O-N 2.77Å; H871-T874 PolarHBondContact O-OG1 3.34Å; F872-T874 PolarHBondContact O-N 3.24Å; T874-L881 WeakPolarHBondContact CA-O 3.34Å; T874-L881 HydrophobicContact CG2-CB 3.94Å; T874-F883 HydrophobicContact CG2-CB 3.92Å; T874-F890 HydrophobicContact CG2-CD1 4.21Å; T874-F890 HydrophobicContact CG2-CE1 4.34Å |
| 875 | N | 86.9 | Confident | 87.3 | Confident | 114 Ų | 114 | 38.6 Ų | 38.6 | 61% | 0.61 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 0.6 | 178.1 | -74.2 | -84.5 | 0 | 0 | 0 | 113.4 | H871 F872 L873 | H871-N875 PolarHBondContact O-N 3.05Å; H871-N875 PolarHBondContact O-ND2 2.8Å; F872-N875 PolarHBondContact O-N 3.2Å; L873-N875 VanDerWaalsContact C-N 3.31Å |
| 876 | L | 85.9 | Confident | 86.4 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -83.6 | 141.8 | -177.2 | -157.8 | 76 | 0 | 0 | 0 | 111.9 | T766 I769 L770 F872 G878 N879 V880 | T766-L876 HydrophobicContact CG2-CD1 3.87Å; I769-L876 HydrophobicContact CB-CD2 3.91Å; I769-L876 HydrophobicContact CD1-CD2 4.31Å; I769-L876 HydrophobicContact CG2-CD2 3.43Å; I769-L876 VanDerWaalsContact CG2-CD2 3.43Å; L770-L876 HydrophobicContact CD2-CD2 3.83Å; L770-L876 HydrophobicContact CD2-CG 4.08Å; L770-L876 HydrophobicContact CG-CD2 4.21Å; F872-L876 HydrophobicContact CE1-CD1 4.34Å; F872-L876 HydrophobicContact CZ-CD1 4.19Å; F872-L876 PolarHBondContact O-N 2.97Å; L876-G878 VanDerWaalsContact C-N 3.26Å; L876-G878 PolarHBondContact O-N 3.22Å; L876-N879 PolarHBondContact O-N 3.09Å; L876-N879 VanDerWaalsContact O-N 3.15Å; L876-V880 HydrophobicContact CD2-CG2 4.41Å |
| 877 | Q | 71.1 | Confident | 85.5 | Confident | 185 Ų | 185 | 49.8 Ų | 49.8 | 86% | 0.864 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 74.4 | -178.3 | -67 | -172.9 | -1.5 | 0 | 0 | 113.1 | L770 | L770-Q877 WeakPolarHBondContact CD2-O 3.42Š|
| 878 | G | 66.6 | Low | 84.8 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 168.6 | -8.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L876 V880 | L876-G878 VanDerWaalsContact C-N 3.26Å; L876-G878 PolarHBondContact O-N 3.22Å; G878-V880 PolarHBondContact O-N 3.31Å |
| 879 | N | 69.5 | Low | 84.4 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | trans | 54.7 | 48.1 | 172.8 | -49.5 | -6.1 | 0 | 0 | 0 | 112.5 | L876 L881 I893 | L876-N879 PolarHBondContact O-N 3.09Å; L876-N879 VanDerWaalsContact O-N 3.15Å; N879-L881 VanDerWaalsContact C-N 3.34Å; N879-L881 PolarHBondContact O-N 2.94Å; N879-I893 HydrophobicContact CB-CD1 3.61Å; N879-I893 VanDerWaalsContact O-CD1 3.3Å; N879-I893 WeakPolarHBondContact O-CD1 3.48Å; N879-I893 WeakPolarHBondContact O-CG1 3.38Å | ||
| 880 | V | 82.7 | Confident | 84.1 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | trans | -62 | -43.5 | -174.8 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | I769 A773 W780 L873 L876 G878 S892 | I769-V880 HydrophobicContact CG2-CG2 3.97Å; A773-V880 HydrophobicContact CB-CG2 3.99Å; W780-V880 HydrophobicContact CB-CG1 4.12Å; W780-V880 HydrophobicContact CD2-CG1 3.36Å; W780-V880 HydrophobicContact CE3-CG1 3.75Å; W780-V880 HydrophobicContact CG-CG1 3.5Å; W780-V880 HydrophobicContact CZ2-CG1 4.28Å; W780-V880 HydrophobicContact CZ3-CG1 4.36Å; L873-V880 HydrophobicContact CD2-CB 4.49Å; L873-V880 HydrophobicContact CD2-CG1 4.46Å; L876-V880 HydrophobicContact CD2-CG2 4.41Å; G878-V880 PolarHBondContact O-N 3.31Å; V880-S892 PolarHBondContact O-OG 2.88Å | ||
| 881 | L | 87.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 160.7 | 170.9 | -64 | -177.5 | 0 | 0 | 0 | 109.8 | W780 L787 L873 T874 N879 F890 T891 | W780-L881 HydrophobicContact CB-CD2 4.34Å; L787-L881 HydrophobicContact CD1-CD1 3.65Å; L873-L881 HydrophobicContact CB-CB 4.3Å; L873-L881 HydrophobicContact CB-CD1 4.02Å; L873-L881 HydrophobicContact CB-CG 4.13Å; L873-L881 HydrophobicContact CD1-CD1 3.74Å; L873-L881 HydrophobicContact CD1-CG 4.18Å; T874-L881 WeakPolarHBondContact CA-O 3.34Å; T874-L881 HydrophobicContact CG2-CB 3.94Å; N879-L881 VanDerWaalsContact C-N 3.34Å; N879-L881 PolarHBondContact O-N 2.94Å; L881-F890 HydrophobicContact CD1-CD1 4.45Å; L881-T891 CarbonylContact C-O 3.51Å; L881-T891 WeakPolarHBondContact CA-O 3.42Å |
| 882 | H | 87.4 | Confident | 82.8 | Confident | 72 Ų | 72 | 51.8 Ų | 51.8 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.5 | 167 | 178.8 | -84.1 | 0 | 0 | 0 | 108.5 | F890 T891 I893 | H882-F890 CarbonylContact O-C 3.56Å; H882-F890 WeakPolarHBondContact O-CA 3.41Å; H882-T891 PolarHBondContact N-O 3.12Å; H882-T891 PolarHBondContact O-N 2.95Å; H882-I893 HydrophobicContact CB-CD1 4.45Å; H882-I893 HydrophobicContact CB-CG1 4.38Å |
| 883 | F | 88.3 | Confident | 81.5 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 20% | 0.197 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.2 | 173.5 | 177.8 | -103 | 0 | 0 | 0 | 109.3 | H871 T874 P885 G888 I889 F890 | H871-F883 AromaticContact CE1-CD1 3.77Å; H871-F883 AromaticContact CE1-CD2 3.73Å; H871-F883 AromaticContact CE1-CE1 3.85Å; H871-F883 AromaticContact CE1-CE2 3.82Å; H871-F883 AromaticContact CE1-CG 3.71Å; H871-F883 AromaticContact CE1-CZ 3.88Å; T874-F883 HydrophobicContact CG2-CB 3.92Å; F883-P885 HydrophobicContact CD1-CG 4.14Å; F883-P885 HydrophobicContact CE1-CB 4.23Å; F883-P885 HydrophobicContact CE1-CG 4.22Å; F883-P885 WeakPolarHBondContact O-CD 3.36Å; F883-G888 VanDerWaalsContact CE2-C 3.5Å; F883-I889 WeakPolarHBondContact CA-O 3.14Å; F883-I889 WeakPolarHBondContact CD2-O 3.24Å; F883-F890 HydrophobicContact CB-CD1 4.05Å; F883-F890 HydrophobicContact CB-CE1 4.08Å; F883-F890 AromaticContact CD2-CD1 3.86Å; F883-F890 HydrophobicContact CD2-CD1 3.86Å; F883-F890 HydrophobicContact CD2-CD2 4.05Å; F883-F890 AromaticContact CD2-CE1 3.69Å; F883-F890 HydrophobicContact CD2-CE1 3.69Å; F883-F890 AromaticContact CD2-CE2 3.91Å; F883-F890 HydrophobicContact CD2-CE2 3.91Å; F883-F890 HydrophobicContact CD2-CG 4.04Å; F883-F890 AromaticContact CD2-CZ 3.74Å; F883-F890 HydrophobicContact CD2-CZ 3.74Å; F883-F890 HydrophobicContact CE2-CD2 4.44Å; F883-F890 HydrophobicContact CE2-CE2 4.08Å; F883-F890 HydrophobicContact CE2-CZ 4.14Å; F883-F890 HydrophobicContact CG-CD1 4.42Å; F883-F890 HydrophobicContact CG-CE1 4.22Å |
| 884 | N | 84.3 | Confident | 79.7 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 109.3 | 173.6 | -178.9 | -17.2 | 0 | 0 | 0 | 109.4 | E886 A887 G888 I889 | N884-E886 VanDerWaalsContact C-N 3.32Å; N884-E886 PolarHBondContact O-N 3.37Å; N884-E886 WeakPolarHBondContact OD1-CB 3.45Å; N884-E886 PolarHBondContact OD1-N 2.84Å; N884-A887 HydrophobicContact CB-CB 4.36Å; N884-A887 PolarHBondContact O-N 2.93Å; N884-A887 PolarHBondContact OD1-N 3.08Å; N884-G888 PolarHBondContact O-N 2.82Å; N884-I889 HydrophobicContact CB-CG1 4.28Å; N884-I889 PolarHBondContact N-O 3.27Å; N884-I889 PolarHBondContact O-N 3.02Å |
| 885 | P | 83.3 | Confident | 77.6 | Confident | 106 Ų | 106 | 62.5 Ų | 62.5 | 69% | 0.688 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.2 | -179.5 | -21.1 | 33.9 | 0 | 0 | 0 | 114.6 | F883 | F883-P885 HydrophobicContact CD1-CG 4.14Å; F883-P885 HydrophobicContact CE1-CB 4.23Å; F883-P885 HydrophobicContact CE1-CG 4.22Å; F883-P885 WeakPolarHBondContact O-CD 3.36Å |
| 886 | E | 76.5 | Confident | 75.4 | Confident | 188 Ų | 188 | 60.9 Ų | 60.9 | 88% | 0.879 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -31.4 | -179.8 | -56.6 | -178.4 | 159.7 | 0 | 0 | 112.1 | N884 | N884-E886 VanDerWaalsContact C-N 3.32Å; N884-E886 PolarHBondContact O-N 3.37Å; N884-E886 WeakPolarHBondContact OD1-CB 3.45Å; N884-E886 PolarHBondContact OD1-N 2.84Å |
| 887 | A | 75.4 | Confident | 73.6 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -6.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N884 I889 | N884-A887 HydrophobicContact CB-CB 4.36Å; N884-A887 PolarHBondContact O-N 2.93Å; N884-A887 PolarHBondContact OD1-N 3.08Å; A887-I889 VanDerWaalsContact C-N 3.32Å; A887-I889 HydrophobicContact CB-CD1 3.92Å; A887-I889 HydrophobicContact CB-CG1 3.68Å; A887-I889 PolarHBondContact O-N 2.94Å |
| 888 | G | 81.1 | Confident | 72.4 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | F883 N884 | F883-G888 VanDerWaalsContact CE2-C 3.5Å; N884-G888 PolarHBondContact O-N 2.82Å |
| 889 | I | 85.1 | Confident | 71.2 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152.2 | -165.3 | 50.5 | 166.4 | 0 | 0 | 0 | 114 | N788 F883 N884 A887 A905 | N788-I889 WeakPolarHBondContact OD1-CA 3.18Å; F883-I889 WeakPolarHBondContact CA-O 3.14Å; F883-I889 WeakPolarHBondContact CD2-O 3.24Å; N884-I889 HydrophobicContact CB-CG1 4.28Å; N884-I889 PolarHBondContact N-O 3.27Å; N884-I889 PolarHBondContact O-N 3.02Å; A887-I889 VanDerWaalsContact C-N 3.32Å; A887-I889 HydrophobicContact CB-CD1 3.92Å; A887-I889 HydrophobicContact CB-CG1 3.68Å; A887-I889 PolarHBondContact O-N 2.94Å; I889-A905 HydrophobicContact CD1-CB 3.24Å |
| 890 | F | 88.9 | Confident | 70.6 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.8 | 169.1 | -59 | -91.3 | 0 | 0 | 0 | 110.9 | L787 N788 G870 H871 T874 L881 H882 F883 | L787-F890 HydrophobicContact CB-CB 4.41Å; L787-F890 HydrophobicContact CB-CD2 3.5Å; L787-F890 VanDerWaalsContact CB-CD2 3.5Å; L787-F890 HydrophobicContact CB-CE2 3.93Å; L787-F890 HydrophobicContact CB-CG 4.07Å; L787-F890 HydrophobicContact CD1-CB 4.34Å; L787-F890 HydrophobicContact CD1-CD1 4.21Å; L787-F890 HydrophobicContact CD1-CD2 4.15Å; L787-F890 HydrophobicContact CD1-CE2 4.5Å; L787-F890 HydrophobicContact CD1-CG 3.97Å; L787-F890 HydrophobicContact CD2-CE2 4.35Å; L787-F890 HydrophobicContact CG-CD2 4.3Å; N788-F890 PolarHBondContact ND2-O 3.46Å; N788-F890 PolarHBondContact OD1-N 3.2Å; G870-F890 VanDerWaalsContact C-CE1 3.43Å; H871-F890 AromaticContact CD2-CZ 3.8Å; H871-F890 AromaticContact CE1-CE1 3.91Å; H871-F890 AromaticContact CE1-CZ 3.64Å; H871-F890 AromaticContact ND1-CE1 3.86Å; H871-F890 AromaticContact ND1-CZ 3.98Å; H871-F890 AromaticContact NE2-CZ 3.52Å; T874-F890 HydrophobicContact CG2-CD1 4.21Å; T874-F890 HydrophobicContact CG2-CE1 4.34Å; L881-F890 HydrophobicContact CD1-CD1 4.45Å; H882-F890 CarbonylContact O-C 3.56Å; H882-F890 WeakPolarHBondContact O-CA 3.41Å; F883-F890 HydrophobicContact CB-CD1 4.05Å; F883-F890 HydrophobicContact CB-CE1 4.08Å; F883-F890 AromaticContact CD2-CD1 3.86Å; F883-F890 HydrophobicContact CD2-CD1 3.86Å; F883-F890 HydrophobicContact CD2-CD2 4.05Å; F883-F890 AromaticContact CD2-CE1 3.69Å; F883-F890 HydrophobicContact CD2-CE1 3.69Å; F883-F890 AromaticContact CD2-CE2 3.91Å; F883-F890 HydrophobicContact CD2-CE2 3.91Å; F883-F890 HydrophobicContact CD2-CG 4.04Å; F883-F890 AromaticContact CD2-CZ 3.74Å; F883-F890 HydrophobicContact CD2-CZ 3.74Å; F883-F890 HydrophobicContact CE2-CD2 4.44Å; F883-F890 HydrophobicContact CE2-CE2 4.08Å; F883-F890 HydrophobicContact CE2-CZ 4.14Å; F883-F890 HydrophobicContact CG-CD1 4.42Å; F883-F890 HydrophobicContact CG-CE1 4.22Å |
| 891 | T | 84.3 | Confident | 69.2 | Low | 4 Ų | 4 | 73.9 Ų | 73.9 | 3% | 0.025 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 159.7 | 164.9 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | L881 H882 A905 | L881-T891 CarbonylContact C-O 3.51Å; L881-T891 WeakPolarHBondContact CA-O 3.42Å; H882-T891 PolarHBondContact N-O 3.12Å; H882-T891 PolarHBondContact O-N 2.95Å; T891-A905 HydrophobicContact CG2-CB 4.35Å |
| 892 | S | 76.4 | Confident | 67.5 | Low | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.1 | 174.2 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | Q777 W780 N781 V880 S894 | Q777-S892 PolarHBondContact NE2-OG 3.25Å; W780-S892 VanDerWaalsContact CB-OG 3.27Å; W780-S892 WeakPolarHBondContact CB-OG 3.02Å; N781-S892 WeakPolarHBondContact OD1-CB 3.37Å; V880-S892 PolarHBondContact O-OG 2.88Å; S892-S894 PolarHBondContact O-N 2.8Å |
| 893 | I | 66.6 | Low | 65.9 | Low | 71 Ų | 71 | 80.1 Ų | 80.1 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | trans | -78.9 | 100.6 | -169.9 | -59 | -163.6 | 0 | 0 | 0 | 111.2 | Q777 N879 H882 | Q777-I893 VanDerWaalsContact NE2-C 3.33Å; Q777-I893 PolarHBondContact NE2-O 2.93Å; N879-I893 HydrophobicContact CB-CD1 3.61Å; N879-I893 VanDerWaalsContact O-CD1 3.3Å; N879-I893 WeakPolarHBondContact O-CD1 3.48Å; N879-I893 WeakPolarHBondContact O-CG1 3.38Å; H882-I893 HydrophobicContact CB-CD1 4.45Å; H882-I893 HydrophobicContact CB-CG1 4.38Å | ||
| 894 | S | 54.9 | Low | 64.4 | Low | 53 Ų | 53 | 80.2 Ų | 80.2 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | trans | -64.7 | 146.5 | 160.2 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | S892 S896 | S892-S894 PolarHBondContact O-N 2.8Å; S894-S896 PolarHBondContact O-N 3.14Å | ||
| 895 | Q | 46.1 | Very low | 62.8 | Low | 174 Ų | 174 | 79.7 Ų | 79.7 | 81% | 0.813 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -75.6 | 50 | -179.8 | -67.3 | -174.8 | -19.1 | 0 | 0 | 113.8 | ||
| 896 | S | 41.6 | Very low | 61.4 | Low | 80 Ų | 80 | 80.9 Ų | 80.9 | 56% | 0.559 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -168.6 | 129.6 | 170.4 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | S894 | S894-S896 PolarHBondContact O-N 3.14Š|
| 897 | E | 47.5 | Very low | 60.4 | Low | 177 Ų | 177 | 73.4 Ų | 73.4 | 83% | 0.827 | 40% | 0.396 | S | S | * | . | trans | 66.9 | 125 | 156.4 | -63.1 | 174.3 | -172.8 | 0 | 0 | 118.9 | ||||
| 898 | Q | 45.6 | Very low | 59.3 | Low | 160 Ų | 160 | 72 Ų | 72 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -82 | -25.3 | -175.4 | -136.5 | 91.6 | 6.9 | 0 | 0 | 113.4 | N900 | Q898-N900 PolarHBondContact O-N 2.91Š|
| 899 | D | 42.6 | Very low | 58 | Low | 150 Ų | 150 | 74.7 Ų | 74.7 | 80% | 0.802 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 12.1 | -151.8 | -63.8 | -24.5 | 0 | 0 | 0 | 115.4 | ||
| 900 | N | 56.5 | Low | 56.6 | Low | 90 Ų | 90 | 80.3 Ų | 80.3 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.9 | 30.3 | -175.1 | -104.3 | -56.6 | 0 | 0 | 0 | 115 | Q898 V902 Q903 Q904 | Q898-N900 PolarHBondContact O-N 2.91Å; N900-V902 VanDerWaalsContact C-N 3.27Å; N900-V902 PolarHBondContact O-N 3.02Å; N900-V902 VanDerWaalsContact O-N 3.08Å; N900-Q903 HydrophobicContact CB-CB 4.27Å; N900-Q903 CarbonylContact O-C 3.55Å; N900-Q903 WeakPolarHBondContact O-CA 3.3Å; N900-Q903 PolarHBondContact O-N 2.89Å; N900-Q903 VanDerWaalsContact OD1-CG 3.22Å; N900-Q903 WeakPolarHBondContact OD1-CG 3.34Å; N900-Q903 PolarHBondContact OD1-NE2 2.82Å; N900-Q904 WeakPolarHBondContact O-CB 3.48Å; N900-Q904 PolarHBondContact O-N 3.19Å |
| 901 | L | 52.2 | Low | 55 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 29% | 0.288 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -46 | -41.4 | -178.3 | -76.4 | 164.9 | 0 | 0 | 0 | 115 | Q904 A905 | L901-Q904 PolarHBondContact O-N 2.9Å; L901-A905 WeakPolarHBondContact O-CB 3.49Å; L901-A905 PolarHBondContact O-N 3.44Å |
| 902 | V | 52.4 | Low | 53.3 | Low | 80 Ų | 80 | 87 Ų | 87 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73 | -34.3 | 178.6 | -180 | 0 | 0 | 0 | 0 | 112.3 | N900 K906 | N900-V902 VanDerWaalsContact C-N 3.27Å; N900-V902 PolarHBondContact O-N 3.02Å; N900-V902 VanDerWaalsContact O-N 3.08Å; V902-K906 WeakPolarHBondContact O-CG 3.47Å; V902-K906 PolarHBondContact O-N 2.7Å; V902-K906 VanDerWaalsContact O-N 3.1Å |
| 903 | Q | 55.3 | Low | 52.2 | Low | 125 Ų | 125 | 92 Ų | 92 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72.6 | -36.5 | 171.7 | -65.7 | -165.5 | 17.2 | 0 | 0 | 111.6 | N900 K906 A907 | N900-Q903 HydrophobicContact CB-CB 4.27Å; N900-Q903 CarbonylContact O-C 3.55Å; N900-Q903 WeakPolarHBondContact O-CA 3.3Å; N900-Q903 PolarHBondContact O-N 2.89Å; N900-Q903 VanDerWaalsContact OD1-CG 3.22Å; N900-Q903 WeakPolarHBondContact OD1-CG 3.34Å; N900-Q903 PolarHBondContact OD1-NE2 2.82Å; Q903-K906 CarbonylContact O-C 3.47Å; Q903-K906 PolarHBondContact O-N 2.72Å; Q903-A907 VanDerWaalsContact O-CB 3.23Å; Q903-A907 WeakPolarHBondContact O-CB 3.34Å; Q903-A907 PolarHBondContact O-N 3.14Å |
| 904 | Q | 55.3 | Low | 51.5 | Low | 46 Ų | 46 | 95.2 Ų | 95.2 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.9 | -171.9 | -174.6 | 60.1 | 0 | 0 | 111.2 | N900 L901 A907 Q908 | N900-Q904 WeakPolarHBondContact O-CB 3.48Å; N900-Q904 PolarHBondContact O-N 3.19Å; L901-Q904 PolarHBondContact O-N 2.9Å; Q904-A907 CarbonylContact O-C 3.33Å; Q904-A907 WeakPolarHBondContact O-CB 3.36Å; Q904-A907 PolarHBondContact O-N 2.73Å; Q904-Q908 PolarHBondContact O-N 3.04Å |
| 905 | A | 51.6 | Low | 51.5 | Low | 6 Ų | 6 | 96.5 Ų | 96.5 | 5% | 0.05 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -61.1 | -52.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I889 T891 L901 A907 Q908 F909 | I889-A905 HydrophobicContact CD1-CB 3.24Å; T891-A905 HydrophobicContact CG2-CB 4.35Å; L901-A905 WeakPolarHBondContact O-CB 3.49Å; L901-A905 PolarHBondContact O-N 3.44Å; A905-A907 PolarHBondContact O-N 2.96Å; A905-Q908 PolarHBondContact O-N 3.11Å; A905-Q908 VanDerWaalsContact O-N 3.09Å; A905-F909 VanDerWaalsContact O-CD2 3.3Å; A905-F909 WeakPolarHBondContact O-CD2 3.32Å; A905-F909 PolarHBondContact O-N 3.49Å |
| 906 | K | 53.8 | Low | 51.7 | Low | 130 Ų | 130 | 88.3 Ų | 88.3 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.8 | -26.9 | 175 | -70.6 | 179.7 | 178.9 | -174.8 | 0 | 112.3 | V902 Q903 R910 | V902-K906 WeakPolarHBondContact O-CG 3.47Å; V902-K906 PolarHBondContact O-N 2.7Å; V902-K906 VanDerWaalsContact O-N 3.1Å; Q903-K906 CarbonylContact O-C 3.47Å; Q903-K906 PolarHBondContact O-N 2.72Å; K906-R910 WeakPolarHBondContact O-CB 3.31Å; K906-R910 WeakPolarHBondContact O-CG 3.23Å; K906-R910 PolarHBondContact O-N 2.91Å; K906-R910 VanDerWaalsContact O-N 3.1Å; K906-R910 PolarHBondContact O-NE 3.06Å |
| 907 | A | 55.1 | Low | 52.3 | Low | 31 Ų | 31 | 93.3 Ų | 93.3 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -76.8 | -38.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q903 Q904 A905 R910 M911 | Q903-A907 VanDerWaalsContact O-CB 3.23Å; Q903-A907 WeakPolarHBondContact O-CB 3.34Å; Q903-A907 PolarHBondContact O-N 3.14Å; Q904-A907 CarbonylContact O-C 3.33Å; Q904-A907 WeakPolarHBondContact O-CB 3.36Å; Q904-A907 PolarHBondContact O-N 2.73Å; A905-A907 PolarHBondContact O-N 2.96Å; A907-R910 PolarHBondContact O-N 3.33Å; A907-M911 VanDerWaalsContact O-CB 3.26Å; A907-M911 WeakPolarHBondContact O-CB 3.49Å; A907-M911 VanDerWaalsContact O-CG 3.25Å; A907-M911 WeakPolarHBondContact O-CG 3.44Å; A907-M911 PolarHBondContact O-N 3.39Å |
| 908 | Q | 53.2 | Low | 52.6 | Low | 22 Ų | 22 | 91.9 Ų | 91.9 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 171.7 | -84.7 | -166.2 | -38.4 | 0 | 0 | 111.2 | N781 S784 Q904 A905 M911 A912 | N781-Q908 PolarHBondContact OD1-NE2 3.41Å; S784-Q908 PolarHBondContact OG-NE2 3.3Å; S784-Q908 VanDerWaalsContact OG-NE2 3.11Å; S784-Q908 PolarHBondContact OG-OE1 3.06Å; Q904-Q908 PolarHBondContact O-N 3.04Å; A905-Q908 PolarHBondContact O-N 3.11Å; A905-Q908 VanDerWaalsContact O-N 3.09Å; Q908-M911 PolarHBondContact O-N 3.1Å; Q908-A912 VanDerWaalsContact O-CB 3.27Å; Q908-A912 WeakPolarHBondContact O-CB 3.47Å; Q908-A912 PolarHBondContact O-N 3.44Å |
| 909 | F | 53.8 | Low | 52.8 | Low | 89 Ų | 89 | 84.7 Ų | 84.7 | 39% | 0.39 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 172.8 | -80.1 | -69.8 | 0 | 0 | 0 | 111.5 | N788 A905 M911 A912 E913 | N788-F909 HydrophobicContact CB-CE1 4.49Å; N788-F909 HydrophobicContact CB-CZ 4.03Å; A905-F909 VanDerWaalsContact O-CD2 3.3Å; A905-F909 WeakPolarHBondContact O-CD2 3.32Å; A905-F909 PolarHBondContact O-N 3.49Å; F909-M911 VanDerWaalsContact C-N 3.34Å; F909-M911 PolarHBondContact O-N 3.44Å; F909-A912 PolarHBondContact O-N 3.47Å; F909-E913 VanDerWaalsContact O-CB 3.26Å; F909-E913 WeakPolarHBondContact O-CB 3.49Å; F909-E913 PolarHBondContact O-N 2.93Å |
| 910 | R | 55.7 | Low | 53.6 | Low | 143 Ų | 143 | 80.7 Ų | 80.7 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.1 | -32.4 | 176.9 | -74.8 | 173.4 | -64.8 | -173.7 | 5.1 | 113.9 | K906 A907 E914 | K906-R910 WeakPolarHBondContact O-CB 3.31Å; K906-R910 WeakPolarHBondContact O-CG 3.23Å; K906-R910 PolarHBondContact O-N 2.91Å; K906-R910 VanDerWaalsContact O-N 3.1Å; K906-R910 PolarHBondContact O-NE 3.06Å; A907-R910 PolarHBondContact O-N 3.33Å; R910-E914 WeakPolarHBondContact O-CB 3.48Å; R910-E914 PolarHBondContact O-N 3.42Å |
| 911 | M | 54 | Low | 53.3 | Low | 131 Ų | 131 | 81 Ų | 81 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -72.4 | -38.6 | 173.6 | -77.9 | -179.8 | 176.7 | 0 | 0 | 111.5 | A907 Q908 F909 E913 E914 E915 | A907-M911 VanDerWaalsContact O-CB 3.26Å; A907-M911 WeakPolarHBondContact O-CB 3.49Å; A907-M911 VanDerWaalsContact O-CG 3.25Å; A907-M911 WeakPolarHBondContact O-CG 3.44Å; A907-M911 PolarHBondContact O-N 3.39Å; Q908-M911 PolarHBondContact O-N 3.1Å; F909-M911 VanDerWaalsContact C-N 3.34Å; F909-M911 PolarHBondContact O-N 3.44Å; M911-E913 VanDerWaalsContact C-N 3.34Å; M911-E914 PolarHBondContact O-N 3.49Å; M911-E915 WeakPolarHBondContact O-CB 3.46Å; M911-E915 PolarHBondContact O-N 2.83Å |
| 912 | A | 48.9 | Very low | 53.2 | Low | 14 Ų | 14 | 81.8 Ų | 81.8 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V785 Q908 F909 A916 | V785-A912 HydrophobicContact CG1-CB 4.14Å; V785-A912 HydrophobicContact CG2-CB 3.89Å; Q908-A912 VanDerWaalsContact O-CB 3.27Å; Q908-A912 WeakPolarHBondContact O-CB 3.47Å; Q908-A912 PolarHBondContact O-N 3.44Å; F909-A912 PolarHBondContact O-N 3.47Å; A912-A916 WeakPolarHBondContact O-CA 3.47Å; A912-A916 WeakPolarHBondContact O-CB 3.32Å; A912-A916 PolarHBondContact O-N 2.97Å |
| 913 | E | 53.4 | Low | 53.4 | Low | 105 Ų | 105 | 80.5 Ų | 80.5 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 173.2 | -173.1 | -166.1 | 168.3 | 0 | 0 | 111.9 | F909 M911 A916 R917 | F909-E913 VanDerWaalsContact O-CB 3.26Å; F909-E913 WeakPolarHBondContact O-CB 3.49Å; F909-E913 PolarHBondContact O-N 2.93Å; M911-E913 VanDerWaalsContact C-N 3.34Å; E913-A916 PolarHBondContact O-N 2.96Å; E913-R917 WeakPolarHBondContact O-CB 3.37Å; E913-R917 PolarHBondContact O-N 3.19Å |
| 914 | E | 52.9 | Low | 53.2 | Low | 138 Ų | 138 | 77.9 Ų | 77.9 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.6 | -38.9 | 176 | -173.5 | 174.2 | -164.3 | 0 | 0 | 111.7 | R910 M911 R917 R918 | R910-E914 WeakPolarHBondContact O-CB 3.48Å; R910-E914 PolarHBondContact O-N 3.42Å; M911-E914 PolarHBondContact O-N 3.49Å; E914-R917 PolarHBondContact O-N 2.99Å; E914-R918 WeakPolarHBondContact O-CB 3.39Å; E914-R918 PolarHBondContact O-N 3.02Å |
| 915 | E | 53.5 | Low | 52.9 | Low | 80 Ų | 80 | 80.4 Ų | 80.4 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 170.4 | -171.7 | 80.1 | -102.4 | 0 | 0 | 110.2 | M911 R918 N919 | M911-E915 WeakPolarHBondContact O-CB 3.46Å; M911-E915 PolarHBondContact O-N 2.83Å; E915-R918 CarbonylContact O-C 3.53Å; E915-R918 WeakPolarHBondContact O-CB 3.4Å; E915-R918 PolarHBondContact O-N 3.15Å; E915-R918 IonicContact OE1-NE 3.74Å; E915-N919 WeakPolarHBondContact O-CB 3.3Å; E915-N919 VanDerWaalsContact O-CG 3.26Å; E915-N919 PolarHBondContact O-N 3.18Å; E915-N919 PolarHBondContact O-ND2 3.35Å |
| 916 | A | 51.3 | Low | 52.7 | Low | 3 Ų | 3 | 82.7 Ų | 82.7 | 3% | 0.025 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A912 E913 N919 R920 | A912-A916 WeakPolarHBondContact O-CA 3.47Å; A912-A916 WeakPolarHBondContact O-CB 3.32Å; A912-A916 PolarHBondContact O-N 2.97Å; E913-A916 PolarHBondContact O-N 2.96Å; A916-N919 CarbonylContact O-C 3.56Å; A916-N919 PolarHBondContact O-N 3.18Å; A916-R920 WeakPolarHBondContact O-CB 3.48Å; A916-R920 WeakPolarHBondContact O-CG 3.24Å; A916-R920 PolarHBondContact O-N 3.21Å |
| 917 | R | 54.4 | Low | 52.5 | Low | 185 Ų | 185 | 81.6 Ų | 81.6 | 70% | 0.698 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.9 | -35.8 | 173.5 | -173.9 | 179.9 | -175.9 | -173.3 | 4.3 | 112 | E913 E914 L921 | E913-R917 WeakPolarHBondContact O-CB 3.37Å; E913-R917 PolarHBondContact O-N 3.19Å; E914-R917 PolarHBondContact O-N 2.99Å; R917-L921 VanDerWaalsContact O-CB 3.26Å; R917-L921 WeakPolarHBondContact O-CB 3.26Å; R917-L921 PolarHBondContact O-N 3.18Å |
| 918 | R | 52.3 | Low | 52.2 | Low | 147 Ų | 147 | 83.8 Ų | 83.8 | 56% | 0.555 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.9 | -38.9 | 171.5 | 176 | -174.6 | 174.9 | 73 | 13.6 | 111.4 | E914 E915 L921 M922 | E914-R918 WeakPolarHBondContact O-CB 3.39Å; E914-R918 PolarHBondContact O-N 3.02Å; E915-R918 CarbonylContact O-C 3.53Å; E915-R918 WeakPolarHBondContact O-CB 3.4Å; E915-R918 PolarHBondContact O-N 3.15Å; E915-R918 IonicContact OE1-NE 3.74Å; R918-L921 PolarHBondContact O-N 2.95Å; R918-M922 HydrophobicContact CG-CE 4.37Å; R918-M922 WeakPolarHBondContact O-CG 3.23Å; R918-M922 PolarHBondContact O-N 3.34Å |
| 919 | N | 50.8 | Low | 52 | Low | 8 Ų | 8 | 90.4 Ų | 90.4 | 4% | 0.043 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -76 | -36.6 | 177.7 | -72.7 | -52.8 | 0 | 0 | 0 | 112.4 | F322 I401 E915 A916 M922 R923 | F322-N919 HydrophobicContact CE1-CB 4.09Å; F322-N919 HydrophobicContact CZ-CB 4.19Å; I401-N919 HydrophobicContact CD1-CB 3.88Å; I401-N919 WeakPolarHBondContact CD1-ND2 3.15Å; E915-N919 WeakPolarHBondContact O-CB 3.3Å; E915-N919 VanDerWaalsContact O-CG 3.26Å; E915-N919 PolarHBondContact O-N 3.18Å; E915-N919 PolarHBondContact O-ND2 3.35Å; A916-N919 CarbonylContact O-C 3.56Å; A916-N919 PolarHBondContact O-N 3.18Å; N919-M922 PolarHBondContact O-N 2.85Å; N919-M922 WeakPolarHBondContact OD1-CE 3.35Å; N919-R923 WeakPolarHBondContact O-CB 3.42Å; N919-R923 PolarHBondContact O-N 2.89Å |
| 920 | R | 58.3 | Low | 51.8 | Low | 67 Ų | 67 | 88.9 Ų | 88.9 | 25% | 0.253 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -53 | -59.5 | 162.2 | -78 | -175.4 | -96.7 | -106.8 | 9 | 108.8 | E408 A916 M922 R923 D924 | E408-R920 IonicContact OE2-CZ 3.56Å; E408-R920 IonicContact OE2-NH1 3.97Å; E408-R920 PolarHBondContact OE2-NH1 2.88Å; E408-R920 IonicContact OE2-NH2 2.75Å; E408-R920 PolarHBondContact OE2-NH2 2.66Å; A916-R920 WeakPolarHBondContact O-CB 3.48Å; A916-R920 WeakPolarHBondContact O-CG 3.24Å; A916-R920 PolarHBondContact O-N 3.21Å; R920-M922 VanDerWaalsContact C-N 3.26Å; R920-M922 PolarHBondContact O-N 2.76Å; R920-M922 VanDerWaalsContact O-N 3.11Å; R920-R923 CarbonylContact O-C 3.56Å; R920-R923 WeakPolarHBondContact O-CA 3.21Å; R920-R923 VanDerWaalsContact O-CB 3.25Å; R920-R923 WeakPolarHBondContact O-CB 3.24Å; R920-R923 PolarHBondContact O-N 3.37Å; R920-D924 PolarHBondContact O-N 2.9Å; R920-D924 VanDerWaalsContact O-OD2 3.09Å |
| 921 | L | 52.1 | Low | 51.4 | Low | 97 Ų | 97 | 86.9 Ų | 86.9 | 51% | 0.508 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.1 | -30.8 | 179.3 | -172.4 | 143.7 | 0 | 0 | 0 | 113.7 | R917 R918 D924 M925 | R917-L921 VanDerWaalsContact O-CB 3.26Å; R917-L921 WeakPolarHBondContact O-CB 3.26Å; R917-L921 PolarHBondContact O-N 3.18Å; R918-L921 PolarHBondContact O-N 2.95Å; L921-D924 PolarHBondContact N-OD2 3.4Å; L921-M925 HydrophobicContact CD2-CG 3.87Å; L921-M925 HydrophobicContact CG-CG 4.3Å; L921-M925 WeakPolarHBondContact O-CB 3.08Å; L921-M925 WeakPolarHBondContact O-CG 3.29Å; L921-M925 PolarHBondContact O-N 3.08Å |
| 922 | M | 50.3 | Low | 51.2 | Low | 71 Ų | 71 | 85.6 Ų | 85.6 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.9 | -35.8 | 171.6 | -74.8 | -170.5 | -56.8 | 0 | 0 | 113 | R918 N919 R920 A926 | R918-M922 HydrophobicContact CG-CE 4.37Å; R918-M922 WeakPolarHBondContact O-CG 3.23Å; R918-M922 PolarHBondContact O-N 3.34Å; N919-M922 PolarHBondContact O-N 2.85Å; N919-M922 WeakPolarHBondContact OD1-CE 3.35Å; R920-M922 VanDerWaalsContact C-N 3.26Å; R920-M922 PolarHBondContact O-N 2.76Å; R920-M922 VanDerWaalsContact O-N 3.11Å; M922-A926 VanDerWaalsContact O-CB 3.31Å; M922-A926 WeakPolarHBondContact O-CB 3.48Å; M922-A926 PolarHBondContact O-N 3.29Å |
| 923 | R | 56.4 | Low | 51.2 | Low | 52 Ų | 52 | 87.2 Ų | 87.2 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 169.8 | -170.4 | -165.3 | -60.2 | 136 | -6.8 | 110.5 | N919 R920 A926 Q927 | N919-R923 WeakPolarHBondContact O-CB 3.42Å; N919-R923 PolarHBondContact O-N 2.89Å; R920-R923 CarbonylContact O-C 3.56Å; R920-R923 WeakPolarHBondContact O-CA 3.21Å; R920-R923 VanDerWaalsContact O-CB 3.25Å; R920-R923 WeakPolarHBondContact O-CB 3.24Å; R920-R923 PolarHBondContact O-N 3.37Å; R923-A926 CarbonylContact O-C 3.6Å; R923-A926 WeakPolarHBondContact O-CB 3.19Å; R923-A926 PolarHBondContact O-N 2.82Å; R923-A926 VanDerWaalsContact O-N 3.14Å; R923-Q927 WeakPolarHBondContact O-CB 3.26Å; R923-Q927 PolarHBondContact O-N 3.07Å |
| 924 | D | 50.7 | Low | 51.2 | Low | 71 Ų | 71 | 84.7 Ų | 84.7 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 179.4 | -50.2 | -26.8 | 0 | 0 | 0 | 110.8 | R920 L921 Q927 L928 | R920-D924 PolarHBondContact O-N 2.9Å; R920-D924 VanDerWaalsContact O-OD2 3.09Å; L921-D924 PolarHBondContact N-OD2 3.4Å; D924-Q927 PolarHBondContact O-N 3.39Å; D924-L928 WeakPolarHBondContact O-CB 3.49Å; D924-L928 WeakPolarHBondContact O-CG 3.44Å; D924-L928 PolarHBondContact O-N 2.88Å |
| 925 | M | 48.7 | Very low | 51.1 | Low | 99 Ų | 99 | 81.3 Ų | 81.3 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.9 | -33.1 | 172.6 | -74.3 | -64.3 | 105.1 | 0 | 0 | 112.3 | L921 L928 R929 | L921-M925 HydrophobicContact CD2-CG 3.87Å; L921-M925 HydrophobicContact CG-CG 4.3Å; L921-M925 WeakPolarHBondContact O-CB 3.08Å; L921-M925 WeakPolarHBondContact O-CG 3.29Å; L921-M925 PolarHBondContact O-N 3.08Å; M925-L928 HydrophobicContact CE-CD1 3.63Å; M925-R929 WeakPolarHBondContact O-CB 3.49Å; M925-R929 PolarHBondContact O-N 2.94Å |
| 926 | A | 46.1 | Very low | 50.8 | Low | 54 Ų | 54 | 82.6 Ų | 82.6 | 45% | 0.446 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69 | -40 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | M922 R923 L930 | M922-A926 VanDerWaalsContact O-CB 3.31Å; M922-A926 WeakPolarHBondContact O-CB 3.48Å; M922-A926 PolarHBondContact O-N 3.29Å; R923-A926 CarbonylContact O-C 3.6Å; R923-A926 WeakPolarHBondContact O-CB 3.19Å; R923-A926 PolarHBondContact O-N 2.82Å; R923-A926 VanDerWaalsContact O-N 3.14Å; A926-L930 WeakPolarHBondContact O-CB 3.47Å; A926-L930 WeakPolarHBondContact O-CD1 3.36Å; A926-L930 PolarHBondContact O-N 3.3Å |
| 927 | Q | 51.1 | Low | 50.5 | Low | 106 Ų | 106 | 86.7 Ų | 86.7 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.2 | -42 | 178.3 | -176.6 | 163.8 | -26 | 0 | 0 | 112.7 | R923 D924 R929 L930 Q931 | R923-Q927 WeakPolarHBondContact O-CB 3.26Å; R923-Q927 PolarHBondContact O-N 3.07Å; D924-Q927 PolarHBondContact O-N 3.39Å; Q927-R929 VanDerWaalsContact C-N 3.34Å; Q927-L930 CarbonylContact O-C 3.58Å; Q927-L930 WeakPolarHBondContact O-CA 3.44Å; Q927-L930 WeakPolarHBondContact O-CB 3.38Å; Q927-L930 PolarHBondContact O-N 2.79Å; Q927-Q931 WeakPolarHBondContact O-CB 3.35Å; Q927-Q931 WeakPolarHBondContact O-CG 3.41Å; Q927-Q931 PolarHBondContact O-N 3.01Å |
| 928 | L | 47.3 | Very low | 50.2 | Low | 77 Ų | 77 | 82.6 Ų | 82.6 | 40% | 0.403 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 172.8 | -78.1 | 161.8 | 0 | 0 | 0 | 111.5 | D924 M925 Q931 L932 | D924-L928 WeakPolarHBondContact O-CB 3.49Å; D924-L928 WeakPolarHBondContact O-CG 3.44Å; D924-L928 PolarHBondContact O-N 2.88Å; M925-L928 HydrophobicContact CE-CD1 3.63Å; L928-Q931 PolarHBondContact O-N 3.45Å; L928-L932 VanDerWaalsContact O-CB 3.24Å; L928-L932 WeakPolarHBondContact O-CB 3.42Å; L928-L932 VanDerWaalsContact O-CG 3.28Å; L928-L932 WeakPolarHBondContact O-CG 3.42Å; L928-L932 PolarHBondContact O-N 2.76Å |
| 929 | R | 49.7 | Very low | 50 | Low | 162 Ų | 162 | 78 Ų | 78 | 61% | 0.611 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | 168.5 | -178.6 | 173.1 | 179.5 | 170.6 | -2.2 | 111.5 | M925 Q927 L932 E933 | M925-R929 WeakPolarHBondContact O-CB 3.49Å; M925-R929 PolarHBondContact O-N 2.94Å; Q927-R929 VanDerWaalsContact C-N 3.34Å; R929-L932 PolarHBondContact O-N 3.1Å; R929-E933 HydrophobicContact CG-CG 4.44Å; R929-E933 IonicContact CZ-OE1 2.72Å; R929-E933 IonicContact NE-OE1 2.72Å; R929-E933 PolarHBondContact NE-OE1 2.78Å; R929-E933 IonicContact NH2-OE1 2.79Å; R929-E933 PolarHBondContact NH2-OE1 3.13Å; R929-E933 WeakPolarHBondContact O-CB 3.36Å; R929-E933 WeakPolarHBondContact O-CG 3.13Å; R929-E933 PolarHBondContact O-N 2.83Å |
| 930 | L | 48.9 | Very low | 49.7 | Very low | 56 Ų | 56 | 81.3 Ų | 81.3 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -54.7 | -52.7 | 169.4 | -114.7 | 74.9 | 0 | 0 | 0 | 110.6 | P273 A926 Q927 L932 E933 V934 | P273-L930 HydrophobicContact CB-CD1 3.92Å; P273-L930 HydrophobicContact CB-CD2 3.76Å; P273-L930 HydrophobicContact CB-CG 3.57Å; P273-L930 HydrophobicContact CG-CD1 4.27Å; P273-L930 HydrophobicContact CG-CD2 4.28Å; P273-L930 HydrophobicContact CG-CG 3.68Å; A926-L930 WeakPolarHBondContact O-CB 3.47Å; A926-L930 WeakPolarHBondContact O-CD1 3.36Å; A926-L930 PolarHBondContact O-N 3.3Å; Q927-L930 CarbonylContact O-C 3.58Å; Q927-L930 WeakPolarHBondContact O-CA 3.44Å; Q927-L930 WeakPolarHBondContact O-CB 3.38Å; Q927-L930 PolarHBondContact O-N 2.79Å; L930-L932 PolarHBondContact O-N 2.92Å; L930-E933 PolarHBondContact O-N 3.5Å; L930-V934 WeakPolarHBondContact O-CB 3.44Å; L930-V934 VanDerWaalsContact O-CG2 3.26Å; L930-V934 WeakPolarHBondContact O-CG2 3.49Å; L930-V934 PolarHBondContact O-N 3.17Å |
| 931 | Q | 48.5 | Very low | 48.9 | Very low | 101 Ų | 101 | 84.5 Ų | 84.5 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67 | -33.5 | -179 | -72.3 | 167.9 | -33 | 0 | 0 | 112.6 | Q927 L928 S935 | Q927-Q931 WeakPolarHBondContact O-CB 3.35Å; Q927-Q931 WeakPolarHBondContact O-CG 3.41Å; Q927-Q931 PolarHBondContact O-N 3.01Å; L928-Q931 PolarHBondContact O-N 3.45Å; Q931-S935 WeakPolarHBondContact O-CB 3.45Å; Q931-S935 PolarHBondContact O-N 2.84Å |
| 932 | L | 49.5 | Very low | 48.5 | Very low | 105 Ų | 105 | 87.2 Ų | 87.2 | 55% | 0.55 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -74.4 | -33.7 | 173.2 | -79.3 | 166.2 | 0 | 0 | 0 | 112.7 | L928 R929 L930 Q936 | L928-L932 VanDerWaalsContact O-CB 3.24Å; L928-L932 WeakPolarHBondContact O-CB 3.42Å; L928-L932 VanDerWaalsContact O-CG 3.28Å; L928-L932 WeakPolarHBondContact O-CG 3.42Å; L928-L932 PolarHBondContact O-N 2.76Å; R929-L932 PolarHBondContact O-N 3.1Å; L930-L932 PolarHBondContact O-N 2.92Å; L932-Q936 VanDerWaalsContact O-CB 3.22Å; L932-Q936 WeakPolarHBondContact O-CB 3.4Å; L932-Q936 WeakPolarHBondContact O-CG 3.35Å; L932-Q936 PolarHBondContact O-N 2.62Å |
| 933 | E | 49.3 | Very low | 48.3 | Very low | 48 Ų | 48 | 88.7 Ų | 88.7 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -74.4 | -37.5 | 173.2 | -73.4 | 178.4 | -172.6 | 0 | 0 | 110.7 | R929 L930 L937 | R929-E933 HydrophobicContact CG-CG 4.44Å; R929-E933 IonicContact CZ-OE1 2.72Å; R929-E933 IonicContact NE-OE1 2.72Å; R929-E933 PolarHBondContact NE-OE1 2.78Å; R929-E933 IonicContact NH2-OE1 2.79Å; R929-E933 PolarHBondContact NH2-OE1 3.13Å; R929-E933 WeakPolarHBondContact O-CB 3.36Å; R929-E933 WeakPolarHBondContact O-CG 3.13Å; R929-E933 PolarHBondContact O-N 2.83Å; L930-E933 PolarHBondContact O-N 3.5Å; E933-L937 WeakPolarHBondContact O-CB 3.33Å; E933-L937 WeakPolarHBondContact O-CD1 3.5Å; E933-L937 WeakPolarHBondContact O-CG 3.31Å; E933-L937 PolarHBondContact O-N 3.23Å |
| 934 | V | 53.8 | Low | 47.7 | Very low | 51 Ų | 51 | 89.9 Ų | 89.9 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -52 | 170.3 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | P273 L930 Q936 L937 E938 | P273-V934 HydrophobicContact CG-CG2 4.29Å; L930-V934 WeakPolarHBondContact O-CB 3.44Å; L930-V934 VanDerWaalsContact O-CG2 3.26Å; L930-V934 WeakPolarHBondContact O-CG2 3.49Å; L930-V934 PolarHBondContact O-N 3.17Å; V934-Q936 VanDerWaalsContact C-N 3.29Å; V934-Q936 PolarHBondContact O-N 3.2Å; V934-L937 CarbonylContact O-C 3.38Å; V934-L937 WeakPolarHBondContact O-CA 3.46Å; V934-L937 WeakPolarHBondContact O-CB 3.39Å; V934-L937 PolarHBondContact O-N 3.31Å; V934-E938 VanDerWaalsContact CG1-CD 3.45Å; V934-E938 HydrophobicContact CG1-CG 4.13Å; V934-E938 WeakPolarHBondContact CG1-OE1 3.37Å; V934-E938 WeakPolarHBondContact O-CB 3.48Å; V934-E938 WeakPolarHBondContact O-CG 3.42Å; V934-E938 PolarHBondContact O-N 2.67Å |
| 935 | S | 49.2 | Very low | 47.3 | Very low | 68 Ų | 68 | 96 Ų | 96 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 113 | Q931 G939 | Q931-S935 WeakPolarHBondContact O-CB 3.45Å; Q931-S935 PolarHBondContact O-N 2.84Å; S935-G939 PolarHBondContact O-N 2.66Å |
| 936 | Q | 48 | Very low | 47.1 | Very low | 107 Ų | 107 | 93.6 Ų | 93.6 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -33.9 | 169.5 | -79.9 | 170.3 | 37.8 | 0 | 0 | 112.9 | L932 V934 S940 | L932-Q936 VanDerWaalsContact O-CB 3.22Å; L932-Q936 WeakPolarHBondContact O-CB 3.4Å; L932-Q936 WeakPolarHBondContact O-CG 3.35Å; L932-Q936 PolarHBondContact O-N 2.62Å; V934-Q936 VanDerWaalsContact C-N 3.29Å; V934-Q936 PolarHBondContact O-N 3.2Å; Q936-S940 WeakPolarHBondContact O-CB 3.37Å; Q936-S940 PolarHBondContact O-N 3.09Å; Q936-S940 VanDerWaalsContact O-N 3.16Å; Q936-S940 PolarHBondContact O-OG 2.82Å |
| 937 | L | 45.1 | Very low | 47.3 | Very low | 88 Ų | 88 | 93 Ų | 93 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.8 | -43.7 | 175.7 | -73 | 165.1 | 0 | 0 | 0 | 111.2 | E933 V934 S940 L941 | E933-L937 WeakPolarHBondContact O-CB 3.33Å; E933-L937 WeakPolarHBondContact O-CD1 3.5Å; E933-L937 WeakPolarHBondContact O-CG 3.31Å; E933-L937 PolarHBondContact O-N 3.23Å; V934-L937 CarbonylContact O-C 3.38Å; V934-L937 WeakPolarHBondContact O-CA 3.46Å; V934-L937 WeakPolarHBondContact O-CB 3.39Å; V934-L937 PolarHBondContact O-N 3.31Å; L937-S940 CarbonylContact O-C 3.28Å; L937-S940 WeakPolarHBondContact O-CA 3.46Å; L937-S940 WeakPolarHBondContact O-CB 3.48Å; L937-S940 PolarHBondContact O-N 2.98Å; L937-L941 WeakPolarHBondContact O-CB 3.49Å; L937-L941 VanDerWaalsContact O-CG 3.29Å; L937-L941 WeakPolarHBondContact O-CG 3.08Å; L937-L941 PolarHBondContact O-N 2.97Å |
| 938 | E | 47.5 | Very low | 47.3 | Very low | 99 Ų | 99 | 93.1 Ų | 93.1 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 173 | -69.7 | 169.2 | 157.8 | 0 | 0 | 110.7 | V934 S940 L941 Q942 | V934-E938 VanDerWaalsContact CG1-CD 3.45Å; V934-E938 HydrophobicContact CG1-CG 4.13Å; V934-E938 WeakPolarHBondContact CG1-OE1 3.37Å; V934-E938 WeakPolarHBondContact O-CB 3.48Å; V934-E938 WeakPolarHBondContact O-CG 3.42Å; V934-E938 PolarHBondContact O-N 2.67Å; E938-S940 PolarHBondContact O-N 3.35Å; E938-S940 VanDerWaalsContact O-N 3.12Å; E938-L941 CarbonylContact O-C 3.57Å; E938-L941 PolarHBondContact O-N 3.17Å; E938-Q942 VanDerWaalsContact O-CB 3.31Å; E938-Q942 WeakPolarHBondContact O-CB 3.47Å; E938-Q942 VanDerWaalsContact O-CG 3.26Å; E938-Q942 WeakPolarHBondContact O-CG 3.32Å; E938-Q942 PolarHBondContact O-N 3.39Å |
| 939 | G | 48.5 | Very low | 47.7 | Very low | 50 Ų | 50 | 93.4 Ų | 93.4 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -9.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S935 | S935-G939 PolarHBondContact O-N 2.66Å |
| 940 | S | 43.9 | Very low | 48.6 | Very low | 79 Ų | 79 | 86.7 Ų | 86.7 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -95.9 | -29.7 | 167.8 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | Q936 L937 E938 | Q936-S940 WeakPolarHBondContact O-CB 3.37Å; Q936-S940 PolarHBondContact O-N 3.09Å; Q936-S940 VanDerWaalsContact O-N 3.16Å; Q936-S940 PolarHBondContact O-OG 2.82Å; L937-S940 CarbonylContact O-C 3.28Å; L937-S940 WeakPolarHBondContact O-CA 3.46Å; L937-S940 WeakPolarHBondContact O-CB 3.48Å; L937-S940 PolarHBondContact O-N 2.98Å; E938-S940 PolarHBondContact O-N 3.35Å; E938-S940 VanDerWaalsContact O-N 3.12Å |
| 941 | L | 42.9 | Very low | 49.7 | Very low | 134 Ų | 134 | 84.2 Ų | 84.2 | 70% | 0.702 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -88.3 | -14.6 | 179.7 | -73.5 | 163.9 | 0 | 0 | 0 | 113.4 | L937 E938 Q943 | L937-L941 WeakPolarHBondContact O-CB 3.49Å; L937-L941 VanDerWaalsContact O-CG 3.29Å; L937-L941 WeakPolarHBondContact O-CG 3.08Å; L937-L941 PolarHBondContact O-N 2.97Å; E938-L941 CarbonylContact O-C 3.57Å; E938-L941 PolarHBondContact O-N 3.17Å; L941-Q943 PolarHBondContact O-N 3.18Å |
| 942 | Q | 43.1 | Very low | 51.1 | Low | 154 Ų | 154 | 81.9 Ų | 81.9 | 72% | 0.72 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 9.4 | 171.5 | -74.4 | 174.3 | -0.7 | 0 | 0 | 113 | E938 | E938-Q942 VanDerWaalsContact O-CB 3.31Å; E938-Q942 WeakPolarHBondContact O-CB 3.47Å; E938-Q942 VanDerWaalsContact O-CG 3.26Å; E938-Q942 WeakPolarHBondContact O-CG 3.32Å; E938-Q942 PolarHBondContact O-N 3.39Å |
| 943 | Q | 45.7 | Very low | 52.9 | Low | 102 Ų | 102 | 79 Ų | 79 | 48% | 0.477 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -71.4 | 126.3 | 155.2 | -68 | -164.5 | -25.1 | 0 | 0 | 108.4 | L941 K945 | L941-Q943 PolarHBondContact O-N 3.18Å; Q943-K945 PolarHBondContact O-N 3.5Å |
| 944 | P | 43.3 | Very low | 54.8 | Low | 77 Ų | 77 | 76.7 Ų | 76.7 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | trans | -56.5 | 136 | -170.3 | -28.8 | 35.5 | 0 | 0 | 0 | 113.8 | A946 Q947 | P944-A946 PolarHBondContact O-N 3.23Å; P944-Q947 PolarHBondContact O-N 3.24Å | ||
| 945 | K | 42.5 | Very low | 56.6 | Low | 199 Ų | 199 | 74.3 Ų | 74.3 | 87% | 0.865 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 1.3 | -178.7 | -69.7 | -174.8 | 175.9 | -177.9 | 0 | 115.4 | Q943 S948 | Q943-K945 PolarHBondContact O-N 3.5Å; K945-S948 PolarHBondContact O-OG 2.97Å |
| 946 | A | 45.4 | Very low | 58.6 | Low | 48 Ų | 48 | 71.1 Ų | 71.1 | 40% | 0.397 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -23.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | P944 S948 S949 I1112 | P944-A946 PolarHBondContact O-N 3.23Å; A946-S948 VanDerWaalsContact C-N 3.26Å; A946-S948 PolarHBondContact O-N 3.08Å; A946-S949 PolarHBondContact O-N 3.48Å; A946-S949 PolarHBondContact O-OG 2.69Å; A946-I1112 HydrophobicContact CB-CG2 3.85Å |
| 947 | Q | 49.8 | Very low | 60.6 | Low | 41 Ų | 41 | 67 Ų | 67 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -72.4 | -13.8 | -178.7 | -68.2 | -169 | -6.2 | 0 | 0 | 114.1 | P944 S949 M950 I1112 | P944-Q947 PolarHBondContact O-N 3.24Å; Q947-S949 PolarHBondContact O-N 3.47Å; Q947-S949 VanDerWaalsContact O-N 3.13Å; Q947-M950 PolarHBondContact O-N 3.11Å; Q947-I1112 HydrophobicContact CG-CG2 4.17Å |
| 948 | S | 51.1 | Low | 62.6 | Low | 110 Ų | 110 | 64 Ų | 64 | 77% | 0.769 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -64.9 | -10 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | K945 A946 M950 | K945-S948 PolarHBondContact O-OG 2.97Å; A946-S948 VanDerWaalsContact C-N 3.26Å; A946-S948 PolarHBondContact O-N 3.08Å; S948-M950 VanDerWaalsContact C-N 3.33Å |
| 949 | S | 55.4 | Low | 64.5 | Low | 83 Ų | 83 | 59.8 Ų | 59.8 | 58% | 0.58 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -80.6 | -7 | 174.8 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | A946 Q947 | A946-S949 PolarHBondContact O-N 3.48Å; A946-S949 PolarHBondContact O-OG 2.69Å; Q947-S949 PolarHBondContact O-N 3.47Å; Q947-S949 VanDerWaalsContact O-N 3.13Å |
| 950 | M | 68.4 | Low | 66.5 | Low | 21 Ų | 21 | 57.4 Ų | 57.4 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -122.8 | 139 | -169.1 | -70.7 | -89.7 | -89.7 | 0 | 0 | 111.7 | Q947 S948 F977 F1105 Q1108 W1109 I1112 | Q947-M950 PolarHBondContact O-N 3.11Å; S948-M950 VanDerWaalsContact C-N 3.33Å; M950-F977 HydrophobicContact CB-CE1 4.34Å; M950-F977 HydrophobicContact CE-CZ 4.44Å; M950-F1105 HydrophobicContact CE-CD1 4.31Å; M950-F1105 HydrophobicContact CE-CD2 3.91Å; M950-F1105 HydrophobicContact CE-CE1 3.86Å; M950-F1105 HydrophobicContact CE-CE2 3.43Å; M950-F1105 VanDerWaalsContact CE-CE2 3.43Å; M950-F1105 HydrophobicContact CE-CG 4.32Å; M950-F1105 HydrophobicContact CE-CZ 3.38Å; M950-F1105 HydrophobicContact SD-CD2 4.17Å; M950-F1105 HydrophobicContact SD-CE2 3.62Å; M950-F1105 HydrophobicContact SD-CZ 4.1Å; M950-Q1108 HydrophobicContact CE-CB 4.46Å; M950-W1109 HydrophobicContact CE-CB 3.69Å; M950-I1112 HydrophobicContact CG-CD1 4.13Å |
| 951 | S | 72.6 | Confident | 68.6 | Low | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -63.5 | 134.8 | -175 | 72.7 | 0 | 0 | 0 | 0 | 113 | Y953 F977 G1065 T1068 | S951-Y953 VanDerWaalsContact C-N 3.3Å; S951-Y953 PolarHBondContact O-N 2.84Å; S951-Y953 PolarHBondContact OG-O 3.11Å; S951-F977 WeakPolarHBondContact O-CD1 3.39Å; S951-G1065 WeakPolarHBondContact CB-O 3.29Å; S951-T1068 WeakPolarHBondContact CB-OG1 3.47Å; S951-T1068 WeakPolarHBondContact OG-CB 3.42Å; S951-T1068 PolarHBondContact OG-N 3.28Å; S951-T1068 PolarHBondContact OG-OG1 3.26Å | ||
| 952 | P | 78.9 | Confident | 70.7 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -73.1 | -20.5 | -179.8 | 27.7 | -34.9 | 0 | 0 | 0 | 113.6 | I978 M1066 | P952-I978 PolarHBondContact O-N 3.23Å; P952-M1066 HydrophobicContact CG-CE 4.25Å; P952-M1066 HydrophobicContact CG-SD 3.95Å |
| 953 | Y | 86.1 | Confident | 72.9 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.5 | -179.6 | -62.7 | -69.2 | 0 | 0 | 0 | 112 | S951 I978 I980 M1066 V1067 T1068 | S951-Y953 VanDerWaalsContact C-N 3.3Å; S951-Y953 PolarHBondContact O-N 2.84Å; S951-Y953 PolarHBondContact OG-O 3.11Å; Y953-I978 HydrophobicContact CD1-CB 3.85Å; Y953-I978 HydrophobicContact CD1-CG2 4.1Å; Y953-I978 HydrophobicContact CE1-CB 4.04Å; Y953-I978 HydrophobicContact CE1-CD1 3.92Å; Y953-I978 HydrophobicContact CE1-CG2 4.16Å; Y953-I980 HydrophobicContact CD1-CD1 3.63Å; Y953-I980 HydrophobicContact CE1-CD1 4.2Å; Y953-I980 HydrophobicContact CG-CD1 4.38Å; Y953-M1066 WeakPolarHBondContact CD2-O 3.5Å; Y953-M1066 HydrophobicContact CE2-CE 4.42Å; Y953-V1067 HydrophobicContact CD2-CG2 4.49Å; Y953-V1067 WeakPolarHBondContact O-CA 3.44Å; Y953-T1068 PolarHBondContact O-N 2.93Å |
| 954 | L | 89.8 | Confident | 75 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130 | -179.3 | -57.7 | -179.2 | 0 | 0 | 0 | 111.2 | P956 L971 F977 I978 I979 I980 T1068 L1070 F1105 | L954-P956 WeakPolarHBondContact O-CD 3.21Å; L954-L971 HydrophobicContact CD1-CD1 4.35Å; L954-F977 HydrophobicContact CD1-CB 3.55Å; L954-F977 HydrophobicContact CD1-CD1 3.7Å; L954-F977 HydrophobicContact CD1-CD2 3.76Å; L954-F977 HydrophobicContact CD1-CE1 4.32Å; L954-F977 HydrophobicContact CD1-CE2 4.37Å; L954-F977 HydrophobicContact CD1-CG 3.38Å; L954-F977 HydrophobicContact CD2-CD1 4.36Å; L954-F977 HydrophobicContact CG-CB 3.96Å; L954-F977 HydrophobicContact CG-CD1 3.98Å; L954-F977 HydrophobicContact CG-CG 4.03Å; L954-I978 PolarHBondContact N-O 3.45Å; L954-I978 VanDerWaalsContact N-O 3.09Å; L954-I979 HydrophobicContact CB-CG1 4.44Å; L954-I979 CarbonylContact O-C 3.57Å; L954-I979 VanDerWaalsContact O-CA 3.3Å; L954-I979 WeakPolarHBondContact O-CA 3.25Å; L954-I980 PolarHBondContact O-N 2.84Å; L954-T1068 WeakPolarHBondContact CA-O 3.38Å; L954-L1070 HydrophobicContact CB-CD1 4.01Å; L954-L1070 HydrophobicContact CD1-CD1 4.12Å; L954-L1070 HydrophobicContact CD2-CD1 4.39Å; L954-L1070 HydrophobicContact CG-CD1 4.4Å; L954-F1105 HydrophobicContact CD1-CE1 3.64Å; L954-F1105 HydrophobicContact CD1-CZ 3.93Å; L954-F1105 HydrophobicContact CD2-CE1 3.9Å; L954-F1105 HydrophobicContact CD2-CE2 3.9Å; L954-F1105 HydrophobicContact CD2-CZ 3.41Å; L954-F1105 VanDerWaalsContact CD2-CZ 3.41Å; L954-F1105 HydrophobicContact CG-CE1 4.44Å; L954-F1105 HydrophobicContact CG-CZ 4.3Å |
| 955 | V | 90.9 | Very high | 77.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 89.4 | -174 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | I980 P982 M1045 V1067 T1068 I1069 L1070 | V955-I980 HydrophobicContact CG2-CB 4.38Å; V955-P982 HydrophobicContact CG1-CG 3.48Å; V955-P982 VanDerWaalsContact CG1-CG 3.48Å; V955-M1045 HydrophobicContact CG1-CE 4.02Å; V955-V1067 HydrophobicContact CG2-CG1 3.74Å; V955-T1068 PolarHBondContact N-O 3.35Å; V955-I1069 HydrophobicContact CB-CG1 4.41Å; V955-I1069 WeakPolarHBondContact O-CA 3.47Å; V955-L1070 PolarHBondContact O-N 3.26Å |
| 956 | P | 91.8 | Very high | 79.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 139.8 | -178.1 | 29.4 | -34.8 | 0 | 0 | 0 | 112.5 | L954 A960 L961 I968 I979 I981 L1070 | L954-P956 WeakPolarHBondContact O-CD 3.21Å; P956-A960 HydrophobicContact CB-CB 4.09Å; P956-L961 HydrophobicContact CB-CD1 4.45Å; P956-L961 HydrophobicContact CB-CG 4.31Å; P956-L961 HydrophobicContact CG-CD1 4.21Å; P956-L961 HydrophobicContact CG-CG 4.35Å; P956-I968 HydrophobicContact CB-CD1 3.76Å; P956-I968 HydrophobicContact CG-CD1 4.24Å; P956-I979 HydrophobicContact CG-CG2 3.8Å; P956-I981 HydrophobicContact CG-CD1 3.76Å; P956-L1070 CarbonylContact C-O 3.57Å; P956-L1070 WeakPolarHBondContact CA-O 3.49Å; P956-L1070 HydrophobicContact CB-CB 4.47Å |
| 957 | D | 90.8 | Very high | 81.6 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | trans | -78.2 | -179.9 | 170.9 | 79.5 | 9.3 | 0 | 0 | 0 | 112.7 | A959 A960 L961 M1045 L1070 T1071 G1072 | D957-A959 VanDerWaalsContact C-N 3.32Å; D957-A959 PolarHBondContact O-N 2.64Å; D957-A959 WeakPolarHBondContact OD1-CA 3.49Å; D957-A959 WeakPolarHBondContact OD1-CB 3.42Å; D957-A959 PolarHBondContact OD1-N 2.68Å; D957-A960 WeakPolarHBondContact OD1-CB 3.43Å; D957-A960 PolarHBondContact OD1-N 2.95Å; D957-L961 PolarHBondContact O-N 3.01Å; D957-M1045 HydrophobicContact CB-CE 3.75Å; D957-M1045 HydrophobicContact CB-SD 3.8Å; D957-L1070 PolarHBondContact N-O 3.14Å; D957-T1071 WeakPolarHBondContact OD2-CA 3.39Å; D957-T1071 WeakPolarHBondContact OD2-CB 3.42Å; D957-T1071 PolarHBondContact OD2-OG1 3.44Å; D957-G1072 PolarHBondContact OD1-N 2.85Å | ||
| 958 | A | 87 | Confident | 83.4 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.6 | -26.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C962 V985 L989 L992 | A958-C962 WeakPolarHBondContact O-CB 3.34Å; A958-C962 PolarHBondContact O-N 3.47Å; A958-C962 VanDerWaalsContact O-N 3.08Å; A958-C962 PolarHBondContact O-SG 3.02Å; A958-V985 HydrophobicContact CB-CG1 4.32Å; A958-L989 HydrophobicContact CB-CD2 4.37Å; A958-L992 HydrophobicContact CB-CD1 4.47Å |
| 959 | A | 87.5 | Confident | 85.2 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.4 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D957 L961 C962 H963 | D957-A959 VanDerWaalsContact C-N 3.32Å; D957-A959 PolarHBondContact O-N 2.64Å; D957-A959 WeakPolarHBondContact OD1-CA 3.49Å; D957-A959 WeakPolarHBondContact OD1-CB 3.42Å; D957-A959 PolarHBondContact OD1-N 2.68Å; A959-L961 VanDerWaalsContact C-N 3.3Å; A959-L961 PolarHBondContact O-N 2.89Å; A959-C962 PolarHBondContact O-N 3.36Å; A959-H963 PolarHBondContact O-N 3.14Å; A959-H963 PolarHBondContact O-ND1 2.81Å |
| 960 | A | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.3 | -44.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | P956 D957 H964 L965 I968 I1102 | P956-A960 HydrophobicContact CB-CB 4.09Å; D957-A960 WeakPolarHBondContact OD1-CB 3.43Å; D957-A960 PolarHBondContact OD1-N 2.95Å; A960-H964 CarbonylContact O-C 3.58Å; A960-H964 VanDerWaalsContact O-C 3.28Å; A960-H964 WeakPolarHBondContact O-CA 3.28Å; A960-H964 WeakPolarHBondContact O-CB 3.41Å; A960-H964 PolarHBondContact O-N 2.88Å; A960-L965 PolarHBondContact O-N 3.47Å; A960-I968 HydrophobicContact CB-CD1 4.18Å; A960-I1102 HydrophobicContact CB-CB 4.49Å; A960-I1102 HydrophobicContact CB-CD1 4.01Å; A960-I1102 HydrophobicContact CB-CG2 4.27Å |
| 961 | L | 87.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.7 | -23.3 | 175.4 | -77.7 | 160.1 | 0 | 0 | 0 | 114.4 | P956 D957 A959 L965 I968 I981 V985 L989 | P956-L961 HydrophobicContact CB-CD1 4.45Å; P956-L961 HydrophobicContact CB-CG 4.31Å; P956-L961 HydrophobicContact CG-CD1 4.21Å; P956-L961 HydrophobicContact CG-CG 4.35Å; D957-L961 PolarHBondContact O-N 3.01Å; A959-L961 VanDerWaalsContact C-N 3.3Å; A959-L961 PolarHBondContact O-N 2.89Å; L961-L965 HydrophobicContact CD2-CD1 4.08Å; L961-I968 HydrophobicContact CB-CD1 4.38Å; L961-I968 HydrophobicContact CD2-CD1 3.57Å; L961-I968 HydrophobicContact CD2-CG2 4.26Å; L961-I968 HydrophobicContact CG-CD1 3.67Å; L961-I981 HydrophobicContact CD1-CD1 4.27Å; L961-V985 HydrophobicContact CD1-CG1 3.57Å; L961-L989 HydrophobicContact CB-CD1 4.16Å; L961-L989 HydrophobicContact CB-CD2 4.11Å; L961-L989 HydrophobicContact CD1-CD1 4.08Å |
| 962 | C | 87.5 | Confident | 88 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -81.7 | -43.7 | 173.9 | -75 | 0 | 0 | 0 | 0 | 112.9 | A958 A959 L989 G998 | A958-C962 WeakPolarHBondContact O-CB 3.34Å; A958-C962 PolarHBondContact O-N 3.47Å; A958-C962 VanDerWaalsContact O-N 3.08Å; A958-C962 PolarHBondContact O-SG 3.02Å; A959-C962 PolarHBondContact O-N 3.36Å; C962-L989 VanDerWaalsContact SG-CD2 3.57Å; C962-G998 VanDerWaalsContact O-CA 3.31Å; C962-G998 WeakPolarHBondContact O-CA 3.35Å |
| 963 | H | 89.2 | Confident | 88.2 | Confident | 134 Ų | 134 | 35 Ų | 35 | 62% | 0.62 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -108.4 | -27.5 | -164.9 | -53.7 | 130.2 | 0 | 0 | 0 | 113.1 | A959 N996 | A959-H963 PolarHBondContact O-N 3.14Å; A959-H963 PolarHBondContact O-ND1 2.81Å; H963-N996 PolarHBondContact NE2-ND2 3.11Å |
| 964 | H | 89.8 | Confident | 87.9 | Confident | 49 Ų | 49 | 35 Ų | 35 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | trans | -120.6 | 25.5 | -173.9 | -56.5 | -81 | 0 | 0 | 0 | 113 | A960 N966 L967 I968 I1102 V1103 | A960-H964 CarbonylContact O-C 3.58Å; A960-H964 VanDerWaalsContact O-C 3.28Å; A960-H964 WeakPolarHBondContact O-CA 3.28Å; A960-H964 WeakPolarHBondContact O-CB 3.41Å; A960-H964 PolarHBondContact O-N 2.88Å; H964-N966 PolarHBondContact O-N 3.02Å; H964-L967 HydrophobicContact CB-CD1 4.23Å; H964-L967 HydrophobicContact CB-CG 4.38Å; H964-L967 WeakPolarHBondContact O-CB 3.5Å; H964-L967 PolarHBondContact O-N 2.75Å; H964-I968 PolarHBondContact O-N 2.83Å; H964-I1102 HydrophobicContact CB-CD1 4.17Å; H964-I1102 HydrophobicContact CB-CG2 3.55Å; H964-I1102 VanDerWaalsContact CG-CG2 3.45Å; H964-V1103 VanDerWaalsContact CE1-CG2 3.46Å; H964-V1103 WeakPolarHBondContact CE1-CG2 3.45Å; H964-V1103 WeakPolarHBondContact ND1-CG2 3.44Å | ||
| 965 | L | 90.1 | Very high | 87.3 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51.8 | -31.4 | -177.3 | -173.1 | 62.4 | 0 | 0 | 0 | 114 | A960 L961 I968 R969 D1001 F1005 | A960-L965 PolarHBondContact O-N 3.47Å; L961-L965 HydrophobicContact CD2-CD1 4.08Å; L965-I968 PolarHBondContact O-N 3.35Å; L965-R969 WeakPolarHBondContact O-CG 3.3Å; L965-R969 PolarHBondContact O-N 3.07Å; L965-D1001 HydrophobicContact CD2-CB 3.94Å; L965-F1005 HydrophobicContact CD1-CB 4.13Å; L965-F1005 HydrophobicContact CD1-CD1 3.57Å; L965-F1005 HydrophobicContact CD1-CE1 4.21Å; L965-F1005 HydrophobicContact CD1-CG 4.02Å; L965-F1005 HydrophobicContact CD2-CB 4.35Å |
| 966 | N | 87.8 | Confident | 86.7 | Confident | 101 Ų | 101 | 37.5 Ų | 37.5 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.2 | -65.8 | -20.3 | 0 | 0 | 0 | 112.5 | H964 R969 H970 | H964-N966 PolarHBondContact O-N 3.02Å; N966-R969 WeakPolarHBondContact O-CB 3.42Å; N966-R969 PolarHBondContact O-N 3.35Å; N966-H970 PolarHBondContact O-CD2 3.22Å; N966-H970 PolarHBondContact O-N 3.03Å; N966-H970 VanDerWaalsContact O-N 3.14Å |
| 967 | L | 90.8 | Very high | 86.3 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 175.2 | -52.8 | -172.7 | 0 | 0 | 0 | 110.3 | H964 R969 H970 L971 I1102 V1103 Y1106 | H964-L967 HydrophobicContact CB-CD1 4.23Å; H964-L967 HydrophobicContact CB-CG 4.38Å; H964-L967 WeakPolarHBondContact O-CB 3.5Å; H964-L967 PolarHBondContact O-N 2.75Å; L967-R969 VanDerWaalsContact C-N 3.3Å; L967-R969 PolarHBondContact O-N 3.41Å; L967-H970 PolarHBondContact O-N 2.93Å; L967-H970 VanDerWaalsContact O-N 3.13Å; L967-L971 WeakPolarHBondContact O-CG 3.21Å; L967-L971 PolarHBondContact O-N 3.4Å; L967-I1102 HydrophobicContact CB-CD1 4.33Å; L967-I1102 HydrophobicContact CB-CG1 4.33Å; L967-I1102 HydrophobicContact CD1-CG1 4.36Å; L967-V1103 HydrophobicContact CD1-CG2 4.18Å; L967-Y1106 HydrophobicContact CB-CD2 4.03Å; L967-Y1106 HydrophobicContact CB-CE2 4.47Å; L967-Y1106 HydrophobicContact CB-CG 4.25Å; L967-Y1106 HydrophobicContact CD1-CD1 4.42Å; L967-Y1106 HydrophobicContact CD1-CG 4.2Å; L967-Y1106 HydrophobicContact CD2-CD1 3.73Å; L967-Y1106 HydrophobicContact CD2-CD2 4.17Å; L967-Y1106 HydrophobicContact CD2-CE1 3.75Å; L967-Y1106 HydrophobicContact CD2-CE2 4.19Å; L967-Y1106 HydrophobicContact CD2-CG 3.94Å; L967-Y1106 HydrophobicContact CG-CG 4.35Å |
| 968 | I | 88 | Confident | 86.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 175.2 | -60.9 | 178.8 | 0 | 0 | 0 | 111.3 | P956 A960 L961 H964 L965 A972 I979 F1005 I1102 | P956-I968 HydrophobicContact CB-CD1 3.76Å; P956-I968 HydrophobicContact CG-CD1 4.24Å; A960-I968 HydrophobicContact CB-CD1 4.18Å; L961-I968 HydrophobicContact CB-CD1 4.38Å; L961-I968 HydrophobicContact CD2-CD1 3.57Å; L961-I968 HydrophobicContact CD2-CG2 4.26Å; L961-I968 HydrophobicContact CG-CD1 3.67Å; H964-I968 PolarHBondContact O-N 2.83Å; L965-I968 PolarHBondContact O-N 3.35Å; I968-A972 VanDerWaalsContact O-CB 3.27Å; I968-A972 WeakPolarHBondContact O-CB 3.32Å; I968-A972 PolarHBondContact O-N 2.92Å; I968-I979 HydrophobicContact CG2-CD1 3.93Å; I968-F1005 HydrophobicContact CG2-CE1 4.09Å; I968-I1102 HydrophobicContact CD1-CD1 3.91Å; I968-I1102 HydrophobicContact CG1-CD1 3.37Å |
| 969 | R | 88.6 | Confident | 86.2 | Confident | 99 Ų | 99 | 37.5 Ų | 37.5 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60 | -46.9 | 172.9 | -76.2 | 170.8 | -172.5 | -170.1 | 7.3 | 111.6 | L965 N966 L967 A972 S973 F1005 | L965-R969 WeakPolarHBondContact O-CG 3.3Å; L965-R969 PolarHBondContact O-N 3.07Å; N966-R969 WeakPolarHBondContact O-CB 3.42Å; N966-R969 PolarHBondContact O-N 3.35Å; L967-R969 VanDerWaalsContact C-N 3.3Å; L967-R969 PolarHBondContact O-N 3.41Å; R969-A972 PolarHBondContact O-N 3.17Å; R969-S973 WeakPolarHBondContact O-CB 3.5Å; R969-S973 PolarHBondContact O-N 3.48Å; R969-S973 PolarHBondContact O-OG 3.04Å; R969-F1005 HydrophobicContact CG-CD2 3.96Å; R969-F1005 HydrophobicContact CG-CE1 4.46Å; R969-F1005 HydrophobicContact CG-CE2 3.51Å; R969-F1005 HydrophobicContact CG-CZ 3.78Å |
| 970 | H | 87 | Confident | 86.2 | Confident | 94 Ų | 94 | 37.6 Ų | 37.6 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66 | -46.3 | -179.8 | -63 | 174.4 | 0 | 0 | 0 | 112.4 | N966 L967 A972 S973 S974 Y1106 | N966-H970 PolarHBondContact O-CD2 3.22Å; N966-H970 PolarHBondContact O-N 3.03Å; N966-H970 VanDerWaalsContact O-N 3.14Å; L967-H970 PolarHBondContact O-N 2.93Å; L967-H970 VanDerWaalsContact O-N 3.13Å; H970-A972 VanDerWaalsContact C-N 3.27Å; H970-A972 PolarHBondContact O-N 3.08Å; H970-S973 PolarHBondContact O-N 3.16Å; H970-S974 PolarHBondContact O-N 2.89Å; H970-Y1106 HydrophobicContact CB-CE2 3.78Å; H970-Y1106 AromaticContact ND1-CZ 3.82Å; H970-Y1106 PolarHBondContact ND1-OH 3.33Å |
| 971 | L | 85.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -32.5 | 175.1 | -67.9 | 168.9 | 0 | 0 | 0 | 112.9 | L954 L967 S974 F977 I979 L1070 F1105 Y1106 W1109 | L954-L971 HydrophobicContact CD1-CD1 4.35Å; L967-L971 WeakPolarHBondContact O-CG 3.21Å; L967-L971 PolarHBondContact O-N 3.4Å; L971-S974 PolarHBondContact O-OG 3.07Å; L971-F977 HydrophobicContact CB-CD2 4.46Å; L971-F977 HydrophobicContact CD2-CD2 3.82Å; L971-F977 HydrophobicContact CD2-CE2 3.64Å; L971-I979 HydrophobicContact CB-CD1 4.03Å; L971-L1070 HydrophobicContact CD1-CD1 4.27Å; L971-F1105 HydrophobicContact CD1-CD1 4.36Å; L971-F1105 HydrophobicContact CD1-CE1 4.48Å; L971-F1105 HydrophobicContact CD2-CE1 4.14Å; L971-Y1106 HydrophobicContact CD1-CD2 4.32Å; L971-Y1106 HydrophobicContact CD2-CD2 4.08Å; L971-Y1106 HydrophobicContact CG-CD2 3.96Å; L971-Y1106 HydrophobicContact CG-CE2 4.5Å; L971-W1109 HydrophobicContact CD2-CD2 3.89Å; L971-W1109 HydrophobicContact CD2-CE3 3.63Å; L971-W1109 HydrophobicContact CD2-CG 4.38Å; L971-W1109 HydrophobicContact CD2-CZ3 4.11Å |
| 972 | A | 83.8 | Confident | 86 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77.9 | -19.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | I968 R969 H970 I979 I1017 | I968-A972 VanDerWaalsContact O-CB 3.27Å; I968-A972 WeakPolarHBondContact O-CB 3.32Å; I968-A972 PolarHBondContact O-N 2.92Å; R969-A972 PolarHBondContact O-N 3.17Å; H970-A972 VanDerWaalsContact C-N 3.27Å; H970-A972 PolarHBondContact O-N 3.08Å; A972-I979 HydrophobicContact CB-CD1 3.91Å; A972-I1017 HydrophobicContact CB-CD1 3.54Å; A972-I1017 HydrophobicContact CB-CG1 3.67Å |
| 973 | S | 81.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 68% | 0.678 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -96.6 | -21.3 | -176 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | R969 H970 G975 | R969-S973 WeakPolarHBondContact O-CB 3.5Å; R969-S973 PolarHBondContact O-N 3.48Å; R969-S973 PolarHBondContact O-OG 3.04Å; H970-S973 PolarHBondContact O-N 3.16Å; S973-G975 VanDerWaalsContact C-N 3.28Å; S973-G975 PolarHBondContact O-N 3.33Å |
| 974 | S | 80.7 | Confident | 85.4 | Confident | 43 Ų | 43 | 37 Ų | 37 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -70 | -23.4 | 173.9 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | H970 L971 C976 | H970-S974 PolarHBondContact O-N 2.89Å; L971-S974 PolarHBondContact O-OG 3.07Å; S974-C976 PolarHBondContact O-N 3.22Å |
| 975 | G | 76.4 | Confident | 85.2 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 73.3 | -2.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | S973 F977 Y1016 | S973-G975 VanDerWaalsContact C-N 3.28Å; S973-G975 PolarHBondContact O-N 3.33Å; G975-F977 VanDerWaalsContact C-N 3.3Å; G975-F977 PolarHBondContact O-N 3.43Å; G975-Y1016 WeakPolarHBondContact O-CE1 3.35Å |
| 976 | C | 78.6 | Confident | 84.9 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 22% | 0.223 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -69.2 | -25.4 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | S974 | S974-C976 PolarHBondContact O-N 3.22Š|
| 977 | F | 83.7 | Confident | 84.7 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | trans | -127.1 | 150.9 | -170.3 | -56.2 | -70.7 | 0 | 0 | 0 | 112.8 | M950 S951 L954 L971 G975 F1105 W1109 | M950-F977 HydrophobicContact CB-CE1 4.34Å; M950-F977 HydrophobicContact CE-CZ 4.44Å; S951-F977 WeakPolarHBondContact O-CD1 3.39Å; L954-F977 HydrophobicContact CD1-CB 3.55Å; L954-F977 HydrophobicContact CD1-CD1 3.7Å; L954-F977 HydrophobicContact CD1-CD2 3.76Å; L954-F977 HydrophobicContact CD1-CE1 4.32Å; L954-F977 HydrophobicContact CD1-CE2 4.37Å; L954-F977 HydrophobicContact CD1-CG 3.38Å; L954-F977 HydrophobicContact CD2-CD1 4.36Å; L954-F977 HydrophobicContact CG-CB 3.96Å; L954-F977 HydrophobicContact CG-CD1 3.98Å; L954-F977 HydrophobicContact CG-CG 4.03Å; L971-F977 HydrophobicContact CB-CD2 4.46Å; L971-F977 HydrophobicContact CD2-CD2 3.82Å; L971-F977 HydrophobicContact CD2-CE2 3.64Å; G975-F977 VanDerWaalsContact C-N 3.3Å; G975-F977 PolarHBondContact O-N 3.43Å; F977-F1105 HydrophobicContact CE1-CE1 4.38Å; F977-F1105 AromaticContact CE1-CZ 3.89Å; F977-F1105 HydrophobicContact CE1-CZ 3.89Å; F977-F1105 HydrophobicContact CE2-CE1 4.28Å; F977-F1105 HydrophobicContact CZ-CE1 4.02Å; F977-F1105 AromaticContact CZ-CZ 3.89Å; F977-F1105 HydrophobicContact CZ-CZ 3.89Å; F977-W1109 AromaticContact CE2-CD1 3.62Å; F977-W1109 HydrophobicContact CE2-CD2 4.08Å; F977-W1109 AromaticContact CE2-CE2 3.94Å; F977-W1109 AromaticContact CE2-CG 3.9Å; F977-W1109 HydrophobicContact CE2-CG 3.9Å; F977-W1109 AromaticContact CE2-NE1 3.61Å; F977-W1109 AromaticContact CZ-CD1 3.6Å; F977-W1109 HydrophobicContact CZ-CG 4.09Å; F977-W1109 AromaticContact CZ-NE1 3.96Å | ||
| 978 | I | 86.3 | Confident | 84.3 | Confident | 37 Ų | 37 | 32.9 Ų | 32.9 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 104.1 | 169.5 | -58.9 | 177.4 | 0 | 0 | 0 | 108.5 | P952 Y953 L954 I980 R1018 | P952-I978 PolarHBondContact O-N 3.23Å; Y953-I978 HydrophobicContact CD1-CB 3.85Å; Y953-I978 HydrophobicContact CD1-CG2 4.1Å; Y953-I978 HydrophobicContact CE1-CB 4.04Å; Y953-I978 HydrophobicContact CE1-CD1 3.92Å; Y953-I978 HydrophobicContact CE1-CG2 4.16Å; L954-I978 PolarHBondContact N-O 3.45Å; L954-I978 VanDerWaalsContact N-O 3.09Å; I978-I980 HydrophobicContact CG2-CD1 4.44Å; I978-I980 HydrophobicContact CG2-CG1 4.13Å; I978-R1018 HydrophobicContact CG2-CG 4.49Å |
| 979 | I | 88.7 | Confident | 84.3 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119.9 | 178 | -51.7 | -165 | 0 | 0 | 0 | 109.6 | L954 P956 I968 L971 A972 I981 Y1016 I1017 R1018 | L954-I979 HydrophobicContact CB-CG1 4.44Å; L954-I979 CarbonylContact O-C 3.57Å; L954-I979 VanDerWaalsContact O-CA 3.3Å; L954-I979 WeakPolarHBondContact O-CA 3.25Å; P956-I979 HydrophobicContact CG-CG2 3.8Å; I968-I979 HydrophobicContact CG2-CD1 3.93Å; L971-I979 HydrophobicContact CB-CD1 4.03Å; A972-I979 HydrophobicContact CB-CD1 3.91Å; I979-I981 HydrophobicContact CG2-CD1 3.85Å; I979-Y1016 PolarHBondContact N-O 2.92Å; I979-I1017 CarbonylContact O-C 3.32Å; I979-I1017 WeakPolarHBondContact O-CA 3.25Å; I979-R1018 PolarHBondContact O-N 3.42Å |
| 980 | I | 88.5 | Confident | 84 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127 | 180 | -62.5 | 172.4 | 0 | 0 | 0 | 109.2 | Y953 L954 V955 I978 P982 R1018 L1052 | Y953-I980 HydrophobicContact CD1-CD1 3.63Å; Y953-I980 HydrophobicContact CE1-CD1 4.2Å; Y953-I980 HydrophobicContact CG-CD1 4.38Å; L954-I980 PolarHBondContact O-N 2.84Å; V955-I980 HydrophobicContact CG2-CB 4.38Å; I978-I980 HydrophobicContact CG2-CD1 4.44Å; I978-I980 HydrophobicContact CG2-CG1 4.13Å; I980-P982 WeakPolarHBondContact O-CD 3.36Å; I980-R1018 WeakPolarHBondContact CA-O 3.33Å; I980-L1052 HydrophobicContact CB-CD1 4.49Å; I980-L1052 HydrophobicContact CD1-CD1 3.7Å; I980-L1052 HydrophobicContact CD1-CD2 4.09Å; I980-L1052 HydrophobicContact CD1-CG 4.49Å; I980-L1052 HydrophobicContact CG2-CD1 4.14Å |
| 981 | I | 88.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 110.5 | -178.1 | -47 | -60.2 | 0 | 0 | 0 | 109 | P956 L961 I979 I986 L1006 F1010 I1017 R1018 Q1020 | P956-I981 HydrophobicContact CG-CD1 3.76Å; L961-I981 HydrophobicContact CD1-CD1 4.27Å; I979-I981 HydrophobicContact CG2-CD1 3.85Å; I981-I986 HydrophobicContact CG2-CD1 4.17Å; I981-I986 HydrophobicContact CG2-CG1 3.73Å; I981-L1006 HydrophobicContact CD1-CD2 4.09Å; I981-L1006 HydrophobicContact CG1-CD2 3.87Å; I981-L1006 HydrophobicContact CG2-CD1 4.08Å; I981-F1010 HydrophobicContact CG1-CZ 4.2Å; I981-I1017 HydrophobicContact CD1-CG2 4.34Å; I981-I1017 HydrophobicContact CG1-CG2 4Å; I981-R1018 PolarHBondContact N-O 3.07Å; I981-Q1020 PolarHBondContact O-N 2.88Å; I981-Q1020 VanDerWaalsContact O-N 3.11Å |
| 982 | P | 85.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | trans | -69.4 | 148.2 | 174.4 | -17.7 | 32.2 | 0 | 0 | 0 | 111 | V955 I980 T984 V985 I986 M1045 | V955-P982 HydrophobicContact CG1-CG 3.48Å; V955-P982 VanDerWaalsContact CG1-CG 3.48Å; I980-P982 WeakPolarHBondContact O-CD 3.36Å; P982-T984 VanDerWaalsContact C-N 3.27Å; P982-T984 PolarHBondContact O-N 3.33Å; P982-V985 HydrophobicContact CB-CG2 4.22Å; P982-V985 HydrophobicContact CG-CG2 4.09Å; P982-V985 WeakPolarHBondContact O-CB 3.39Å; P982-V985 PolarHBondContact O-N 2.97Å; P982-I986 PolarHBondContact O-N 3.35Å; P982-M1045 HydrophobicContact CG-CG 4.31Å | ||
| 983 | R | 80.6 | Confident | 83.8 | Confident | 102 Ų | 102 | 38.6 Ų | 38.6 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -33.9 | 179.2 | -179.7 | 154.7 | 161.7 | -171.3 | -34.5 | 112.9 | V985 I986 D987 E1022 | R983-V985 PolarHBondContact O-N 3.5Å; R983-I986 WeakPolarHBondContact O-CB 3.46Å; R983-I986 PolarHBondContact O-N 3.16Å; R983-I986 VanDerWaalsContact O-N 3.09Å; R983-D987 PolarHBondContact O-N 3.46Å; R983-E1022 VanDerWaalsContact CZ-CD 3.49Å; R983-E1022 IonicContact CZ-OE1 3.99Å; R983-E1022 IonicContact CZ-OE2 2.66Å; R983-E1022 IonicContact NE-OE1 2.77Å; R983-E1022 IonicContact NH1-OE1 2.9Å; R983-E1022 PolarHBondContact NH1-OE1 2.96Å; R983-E1022 IonicContact NH1-OE2 2.65Å; R983-E1022 PolarHBondContact NH1-OE2 3.06Å; R983-E1022 IonicContact NH2-OE1 2.8Å; R983-E1022 PolarHBondContact NH2-OE1 2.72Å; R983-E1022 IonicContact NH2-OE2 2.79Å |
| 984 | T | 81.8 | Confident | 83.8 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.8 | -35.8 | 172.1 | -47.6 | 0 | 0 | 0 | 0 | 112.9 | P982 G988 H1041 K1044 | P982-T984 VanDerWaalsContact C-N 3.27Å; P982-T984 PolarHBondContact O-N 3.33Å; T984-G988 PolarHBondContact O-N 3.25Å; T984-H1041 HydrophobicContact CG2-CB 4.42Å; T984-K1044 HydrophobicContact CG2-CB 4.13Å |
| 985 | V | 86.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.6 | -42 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | A958 L961 P982 R983 D987 G988 L989 M1045 | A958-V985 HydrophobicContact CB-CG1 4.32Å; L961-V985 HydrophobicContact CD1-CG1 3.57Å; P982-V985 HydrophobicContact CB-CG2 4.22Å; P982-V985 HydrophobicContact CG-CG2 4.09Å; P982-V985 WeakPolarHBondContact O-CB 3.39Å; P982-V985 PolarHBondContact O-N 2.97Å; R983-V985 PolarHBondContact O-N 3.5Å; V985-D987 PolarHBondContact O-N 3.12Å; V985-G988 WeakPolarHBondContact O-CA 3.23Å; V985-G988 PolarHBondContact O-N 3.46Å; V985-G988 VanDerWaalsContact O-N 3.16Å; V985-L989 WeakPolarHBondContact O-CG 3.25Å; V985-L989 PolarHBondContact O-N 3.16Å; V985-M1045 HydrophobicContact CG2-CE 4Å; V985-M1045 HydrophobicContact CG2-CG 4.03Å; V985-M1045 HydrophobicContact CG2-SD 3.59Å; V985-M1045 VanDerWaalsContact CG2-SD 3.59Å |
| 986 | I | 84.3 | Confident | 84.3 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -48.6 | 172.3 | -57.7 | 178.2 | 0 | 0 | 0 | 110.1 | I981 P982 R983 G988 L989 D990 | I981-I986 HydrophobicContact CG2-CD1 4.17Å; I981-I986 HydrophobicContact CG2-CG1 3.73Å; P982-I986 PolarHBondContact O-N 3.35Å; R983-I986 WeakPolarHBondContact O-CB 3.46Å; R983-I986 PolarHBondContact O-N 3.16Å; R983-I986 VanDerWaalsContact O-N 3.09Å; I986-G988 PolarHBondContact O-N 2.71Å; I986-L989 PolarHBondContact O-N 3.05Å; I986-D990 WeakPolarHBondContact O-CB 3.48Å; I986-D990 PolarHBondContact O-N 2.9Å |
| 987 | D | 83.1 | Confident | 84.6 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -31.2 | 177.5 | -66 | -30.5 | 0 | 0 | 0 | 112.1 | R983 V985 R991 | R983-D987 PolarHBondContact O-N 3.46Å; V985-D987 PolarHBondContact O-N 3.12Å; D987-R991 WeakPolarHBondContact O-CG 3.41Å; D987-R991 VanDerWaalsContact O-CZ 3.31Å; D987-R991 PolarHBondContact O-N 2.63Å; D987-R991 VanDerWaalsContact O-N 3.08Å; D987-R991 PolarHBondContact O-NH1 2.68Å; D987-R991 VanDerWaalsContact O-NH1 3.12Å |
| 988 | G | 82.9 | Confident | 84.7 | Confident | 8 Ų | 8 | 49 Ų | 49 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -50 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T984 V985 I986 D990 R991 L992 | T984-G988 PolarHBondContact O-N 3.25Å; V985-G988 WeakPolarHBondContact O-CA 3.23Å; V985-G988 PolarHBondContact O-N 3.46Å; V985-G988 VanDerWaalsContact O-N 3.16Å; I986-G988 PolarHBondContact O-N 2.71Å; G988-D990 VanDerWaalsContact C-N 3.27Å; G988-D990 PolarHBondContact O-N 2.86Å; G988-R991 WeakPolarHBondContact O-CB 3.21Å; G988-R991 PolarHBondContact O-N 2.68Å; G988-L992 WeakPolarHBondContact O-CG 3.35Å; G988-L992 PolarHBondContact O-N 3.07Å |
| 989 | L | 86.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 172.6 | -63.4 | 173.4 | 0 | 0 | 0 | 111.1 | A958 L961 C962 V985 I986 R991 L992 K993 A999 I1003 L1006 | A958-L989 HydrophobicContact CB-CD2 4.37Å; L961-L989 HydrophobicContact CB-CD1 4.16Å; L961-L989 HydrophobicContact CB-CD2 4.11Å; L961-L989 HydrophobicContact CD1-CD1 4.08Å; C962-L989 VanDerWaalsContact SG-CD2 3.57Å; V985-L989 WeakPolarHBondContact O-CG 3.25Å; V985-L989 PolarHBondContact O-N 3.16Å; I986-L989 PolarHBondContact O-N 3.05Å; L989-R991 VanDerWaalsContact C-N 3.27Å; L989-R991 PolarHBondContact O-N 3.34Å; L989-L992 PolarHBondContact O-N 2.92Å; L989-L992 VanDerWaalsContact O-N 3.14Å; L989-K993 WeakPolarHBondContact O-CB 3.42Å; L989-K993 PolarHBondContact O-N 3.4Å; L989-A999 HydrophobicContact CD2-CB 4.3Å; L989-I1003 HydrophobicContact CB-CD1 4Å; L989-I1003 HydrophobicContact CB-CG1 3.9Å; L989-I1003 HydrophobicContact CD1-CG1 4.41Å; L989-L1006 HydrophobicContact CD1-CD1 4.25Å |
| 990 | D | 84.1 | Confident | 84.8 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.5 | -22.1 | 179.8 | -127.4 | 50.1 | 0 | 0 | 0 | 113.3 | I986 G988 K993 | I986-D990 WeakPolarHBondContact O-CB 3.48Å; I986-D990 PolarHBondContact O-N 2.9Å; G988-D990 VanDerWaalsContact C-N 3.27Å; G988-D990 PolarHBondContact O-N 2.86Å; D990-K993 VanDerWaalsContact O-CE 3.26Å; D990-K993 WeakPolarHBondContact O-CE 3.47Å; D990-K993 WeakPolarHBondContact O-CG 3.42Å; D990-K993 WeakPolarHBondContact OD1-CE 3.16Å; D990-K993 IonicContact OD1-NZ 3.7Å; D990-K993 PolarHBondContact OD1-NZ 3.02Å; D990-K993 IonicContact OD2-NZ 2.95Å; D990-K993 PolarHBondContact OD2-NZ 3.47Å |
| 991 | R | 84.3 | Confident | 84.8 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.3 | -51.2 | 164.4 | -73.6 | -177.5 | -75.7 | -80.8 | 9.9 | 111.2 | D987 G988 L989 K993 H1041 | D987-R991 WeakPolarHBondContact O-CG 3.41Å; D987-R991 VanDerWaalsContact O-CZ 3.31Å; D987-R991 PolarHBondContact O-N 2.63Å; D987-R991 VanDerWaalsContact O-N 3.08Å; D987-R991 PolarHBondContact O-NH1 2.68Å; D987-R991 VanDerWaalsContact O-NH1 3.12Å; G988-R991 WeakPolarHBondContact O-CB 3.21Å; G988-R991 PolarHBondContact O-N 2.68Å; L989-R991 VanDerWaalsContact C-N 3.27Å; L989-R991 PolarHBondContact O-N 3.34Å; R991-K993 PolarHBondContact O-N 2.96Å; R991-H1041 PolarHBondContact NH2-NE2 3.12Å |
| 992 | L | 83.3 | Confident | 84.9 | Confident | 75 Ų | 75 | 55.4 Ų | 55.4 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.4 | -25.5 | -172.9 | -69.2 | 170.7 | 0 | 0 | 0 | 114.8 | A958 G988 L989 K994 E995 N996 A999 | A958-L992 HydrophobicContact CB-CD1 4.47Å; G988-L992 WeakPolarHBondContact O-CG 3.35Å; G988-L992 PolarHBondContact O-N 3.07Å; L989-L992 PolarHBondContact O-N 2.92Å; L989-L992 VanDerWaalsContact O-N 3.14Å; L992-K994 PolarHBondContact O-N 3.01Å; L992-E995 PolarHBondContact O-N 2.74Å; L992-N996 HydrophobicContact CB-CB 4.32Å; L992-N996 PolarHBondContact O-N 3.47Å; L992-A999 HydrophobicContact CB-CB 3.67Å |
| 993 | K | 84 | Confident | 85 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -12 | -172.9 | 71.5 | -179 | 170.5 | -170.4 | 0 | 117 | L989 D990 R991 A999 R1000 I1003 | L989-K993 WeakPolarHBondContact O-CB 3.42Å; L989-K993 PolarHBondContact O-N 3.4Å; D990-K993 VanDerWaalsContact O-CE 3.26Å; D990-K993 WeakPolarHBondContact O-CE 3.47Å; D990-K993 WeakPolarHBondContact O-CG 3.42Å; D990-K993 WeakPolarHBondContact OD1-CE 3.16Å; D990-K993 IonicContact OD1-NZ 3.7Å; D990-K993 PolarHBondContact OD1-NZ 3.02Å; D990-K993 IonicContact OD2-NZ 2.95Å; D990-K993 PolarHBondContact OD2-NZ 3.47Å; R991-K993 PolarHBondContact O-N 2.96Å; K993-A999 HydrophobicContact CB-CB 4.47Å; K993-R1000 HydrophobicContact CB-CG 3.84Å; K993-R1000 VanDerWaalsContact O-CD 3.23Å; K993-R1000 WeakPolarHBondContact O-CD 3.3Å; K993-R1000 VanDerWaalsContact O-CG 3.23Å; K993-R1000 WeakPolarHBondContact O-CG 3.07Å; K993-R1000 PolarHBondContact O-NE 3.23Å; K993-I1003 HydrophobicContact CB-CD1 3.94Å; K993-I1003 HydrophobicContact CD-CD1 3.83Å; K993-I1003 HydrophobicContact CG-CD1 4.46Å |
| 994 | K | 82.4 | Confident | 85.4 | Confident | 171 Ų | 171 | 59.5 Ų | 59.5 | 74% | 0.743 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -35.4 | 174.3 | -65.6 | 177.5 | -172.3 | 164.6 | 0 | 112.4 | L992 | L992-K994 PolarHBondContact O-N 3.01Š|
| 995 | E | 82.4 | Confident | 85.9 | Confident | 168 Ų | 168 | 59 Ų | 59 | 79% | 0.785 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -36.2 | -164.6 | -74 | 144.1 | -133.1 | 0 | 0 | 111.1 | L992 | L992-E995 PolarHBondContact O-N 2.74Š|
| 996 | N | 85.3 | Confident | 86 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | trans | -88.9 | 135.7 | 176 | -167.9 | -34.3 | 0 | 0 | 0 | 111.3 | H963 L992 G998 A999 R1000 | H963-N996 PolarHBondContact NE2-ND2 3.11Å; L992-N996 HydrophobicContact CB-CB 4.32Å; L992-N996 PolarHBondContact O-N 3.47Å; N996-G998 WeakPolarHBondContact OD1-CA 3.35Å; N996-G998 PolarHBondContact OD1-N 3.37Å; N996-A999 HydrophobicContact CB-CB 3.87Å; N996-A999 PolarHBondContact OD1-N 2.73Å; N996-R1000 PolarHBondContact O-NE 3.09Å; N996-R1000 VanDerWaalsContact O-NE 3.12Å | ||
| 997 | G | 83.6 | Confident | 86.2 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.7 | -52.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A999 R1000 D1001 | G997-A999 PolarHBondContact O-N 2.91Å; G997-R1000 WeakPolarHBondContact O-CB 3.45Å; G997-R1000 PolarHBondContact O-N 2.96Å; G997-D1001 PolarHBondContact O-N 3.12Å |
| 998 | G | 87.3 | Confident | 86.4 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.5 | -33.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C962 N996 R1000 D1001 G1002 | C962-G998 VanDerWaalsContact O-CA 3.31Å; C962-G998 WeakPolarHBondContact O-CA 3.35Å; N996-G998 WeakPolarHBondContact OD1-CA 3.35Å; N996-G998 PolarHBondContact OD1-N 3.37Å; G998-R1000 VanDerWaalsContact C-N 3.31Å; G998-R1000 PolarHBondContact O-N 3.38Å; G998-D1001 PolarHBondContact O-N 3.03Å; G998-D1001 VanDerWaalsContact O-N 3.09Å; G998-G1002 PolarHBondContact O-N 3.13Å |
| 999 | A | 87.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L989 L992 K993 N996 G997 D1001 I1003 | L989-A999 HydrophobicContact CD2-CB 4.3Å; L992-A999 HydrophobicContact CB-CB 3.67Å; K993-A999 HydrophobicContact CB-CB 4.47Å; N996-A999 HydrophobicContact CB-CB 3.87Å; N996-A999 PolarHBondContact OD1-N 2.73Å; G997-A999 PolarHBondContact O-N 2.91Å; A999-D1001 VanDerWaalsContact C-N 3.34Å; A999-I1003 WeakPolarHBondContact O-CD1 3.46Å; A999-I1003 VanDerWaalsContact O-CG1 3.28Å; A999-I1003 WeakPolarHBondContact O-CG1 3.27Å; A999-I1003 PolarHBondContact O-N 2.83Å |
| 1000 | R | 89.3 | Confident | 86.4 | Confident | 130 Ų | 130 | 65 Ų | 65 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.2 | -35.3 | 174.5 | -69.8 | 172.7 | -84.7 | 161.9 | -8.3 | 111.2 | K993 N996 G997 G998 R1004 | K993-R1000 HydrophobicContact CB-CG 3.84Å; K993-R1000 VanDerWaalsContact O-CD 3.23Å; K993-R1000 WeakPolarHBondContact O-CD 3.3Å; K993-R1000 VanDerWaalsContact O-CG 3.23Å; K993-R1000 WeakPolarHBondContact O-CG 3.07Å; K993-R1000 PolarHBondContact O-NE 3.23Å; N996-R1000 PolarHBondContact O-NE 3.09Å; N996-R1000 VanDerWaalsContact O-NE 3.12Å; G997-R1000 WeakPolarHBondContact O-CB 3.45Å; G997-R1000 PolarHBondContact O-N 2.96Å; G998-R1000 VanDerWaalsContact C-N 3.31Å; G998-R1000 PolarHBondContact O-N 3.38Å; R1000-R1004 WeakPolarHBondContact O-CG 3.31Å; R1000-R1004 PolarHBondContact O-N 3.32Å |
| 1001 | D | 88.7 | Confident | 86.4 | Confident | 58 Ų | 58 | 72 Ų | 72 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.8 | -34.9 | -177.3 | -64.9 | -16.1 | 0 | 0 | 0 | 112.4 | L965 G997 G998 A999 R1004 F1005 | L965-D1001 HydrophobicContact CD2-CB 3.94Å; G997-D1001 PolarHBondContact O-N 3.12Å; G998-D1001 PolarHBondContact O-N 3.03Å; G998-D1001 VanDerWaalsContact O-N 3.09Å; A999-D1001 VanDerWaalsContact C-N 3.34Å; D1001-R1004 PolarHBondContact O-N 3.16Å; D1001-R1004 IonicContact OD1-CZ 3.15Å; D1001-R1004 IonicContact OD1-NE 2.73Å; D1001-R1004 PolarHBondContact OD1-NE 3.27Å; D1001-R1004 IonicContact OD1-NH2 3.24Å; D1001-R1004 PolarHBondContact OD1-NH2 3.27Å; D1001-F1005 WeakPolarHBondContact O-CB 3.44Å; D1001-F1005 PolarHBondContact O-N 2.85Å |
| 1002 | G | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | G998 F1005 L1006 | G998-G1002 PolarHBondContact O-N 3.13Å; G1002-F1005 PolarHBondContact O-N 3.07Å; G1002-L1006 WeakPolarHBondContact O-CG 3.49Å; G1002-L1006 PolarHBondContact O-N 3.26Å |
| 1003 | I | 87.6 | Confident | 85.9 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.2 | -68.1 | 165.2 | 0 | 0 | 0 | 111.2 | L492 L989 K993 A999 F1005 L1006 E1007 | L492-I1003 HydrophobicContact CD1-CG2 3.92Å; L989-I1003 HydrophobicContact CB-CD1 4Å; L989-I1003 HydrophobicContact CB-CG1 3.9Å; L989-I1003 HydrophobicContact CD1-CG1 4.41Å; K993-I1003 HydrophobicContact CB-CD1 3.94Å; K993-I1003 HydrophobicContact CD-CD1 3.83Å; K993-I1003 HydrophobicContact CG-CD1 4.46Å; A999-I1003 WeakPolarHBondContact O-CD1 3.46Å; A999-I1003 VanDerWaalsContact O-CG1 3.28Å; A999-I1003 WeakPolarHBondContact O-CG1 3.27Å; A999-I1003 PolarHBondContact O-N 2.83Å; I1003-F1005 VanDerWaalsContact C-N 3.28Å; I1003-F1005 PolarHBondContact O-N 3.04Å; I1003-L1006 PolarHBondContact O-N 3Å; I1003-E1007 HydrophobicContact CG2-CG 4.37Å; I1003-E1007 WeakPolarHBondContact O-CB 3.45Å; I1003-E1007 WeakPolarHBondContact O-CG 3.38Å; I1003-E1007 PolarHBondContact O-N 3Å |
| 1004 | R | 89.9 | Confident | 85.6 | Confident | 170 Ų | 170 | 70.7 Ų | 70.7 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.2 | -36.8 | 177.7 | -74.3 | -165.9 | -66.3 | 164.7 | -4.6 | 112.6 | R1000 D1001 S1008 | R1000-R1004 WeakPolarHBondContact O-CG 3.31Å; R1000-R1004 PolarHBondContact O-N 3.32Å; D1001-R1004 PolarHBondContact O-N 3.16Å; D1001-R1004 IonicContact OD1-CZ 3.15Å; D1001-R1004 IonicContact OD1-NE 2.73Å; D1001-R1004 PolarHBondContact OD1-NE 3.27Å; D1001-R1004 IonicContact OD1-NH2 3.24Å; D1001-R1004 PolarHBondContact OD1-NH2 3.27Å; R1004-S1008 WeakPolarHBondContact O-CB 3.44Å; R1004-S1008 PolarHBondContact O-N 3.33Å |
| 1005 | F | 90.8 | Very high | 85.3 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -52.9 | 174.4 | 169 | -114.4 | 0 | 0 | 0 | 111.5 | L965 I968 R969 D1001 G1002 I1003 E1007 S1008 E1009 I1017 | L965-F1005 HydrophobicContact CD1-CB 4.13Å; L965-F1005 HydrophobicContact CD1-CD1 3.57Å; L965-F1005 HydrophobicContact CD1-CE1 4.21Å; L965-F1005 HydrophobicContact CD1-CG 4.02Å; L965-F1005 HydrophobicContact CD2-CB 4.35Å; I968-F1005 HydrophobicContact CG2-CE1 4.09Å; R969-F1005 HydrophobicContact CG-CD2 3.96Å; R969-F1005 HydrophobicContact CG-CE1 4.46Å; R969-F1005 HydrophobicContact CG-CE2 3.51Å; R969-F1005 HydrophobicContact CG-CZ 3.78Å; D1001-F1005 WeakPolarHBondContact O-CB 3.44Å; D1001-F1005 PolarHBondContact O-N 2.85Å; G1002-F1005 PolarHBondContact O-N 3.07Å; I1003-F1005 VanDerWaalsContact C-N 3.28Å; I1003-F1005 PolarHBondContact O-N 3.04Å; F1005-E1007 PolarHBondContact O-N 2.97Å; F1005-S1008 WeakPolarHBondContact O-CA 3.48Å; F1005-S1008 VanDerWaalsContact O-CB 3.31Å; F1005-S1008 WeakPolarHBondContact O-CB 3.26Å; F1005-S1008 PolarHBondContact O-N 2.98Å; F1005-E1009 HydrophobicContact CD2-CG 3.85Å; F1005-E1009 HydrophobicContact CE2-CG 3.41Å; F1005-E1009 VanDerWaalsContact CE2-CG 3.41Å; F1005-E1009 HydrophobicContact CZ-CG 3.85Å; F1005-E1009 PolarHBondContact O-N 3.29Å; F1005-I1017 HydrophobicContact CE1-CD1 3.86Å; F1005-I1017 HydrophobicContact CE2-CD1 4.41Å; F1005-I1017 HydrophobicContact CZ-CD1 3.49Å; F1005-I1017 VanDerWaalsContact CZ-CD1 3.49Å |
| 1006 | L | 89.7 | Confident | 85.3 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 179.8 | -67 | 177.3 | 0 | 0 | 0 | 112.4 | I981 L989 G1002 I1003 S1008 E1009 F1010 I1017 | I981-L1006 HydrophobicContact CD1-CD2 4.09Å; I981-L1006 HydrophobicContact CG1-CD2 3.87Å; I981-L1006 HydrophobicContact CG2-CD1 4.08Å; L989-L1006 HydrophobicContact CD1-CD1 4.25Å; G1002-L1006 WeakPolarHBondContact O-CG 3.49Å; G1002-L1006 PolarHBondContact O-N 3.26Å; I1003-L1006 PolarHBondContact O-N 3Å; L1006-S1008 PolarHBondContact O-N 2.64Å; L1006-E1009 PolarHBondContact O-N 3.07Å; L1006-F1010 HydrophobicContact CB-CD2 4.3Å; L1006-F1010 HydrophobicContact CB-CE2 3.92Å; L1006-F1010 HydrophobicContact CD2-CE2 4.4Å; L1006-F1010 HydrophobicContact CD2-CZ 4.15Å; L1006-F1010 WeakPolarHBondContact O-CB 3.42Å; L1006-F1010 WeakPolarHBondContact O-CD2 3.39Å; L1006-F1010 VanDerWaalsContact O-CG 3.24Å; L1006-F1010 WeakPolarHBondContact O-CG 3.36Å; L1006-F1010 PolarHBondContact O-N 3.42Å; L1006-I1017 HydrophobicContact CD2-CG2 4.12Å |
| 1007 | E | 87.8 | Confident | 85.4 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.9 | -29.5 | 172.7 | -79 | -169.9 | 172.5 | 0 | 0 | 113.7 | L492 I1003 F1005 R1011 | L492-E1007 HydrophobicContact CD2-CG 3.8Å; I1003-E1007 HydrophobicContact CG2-CG 4.37Å; I1003-E1007 WeakPolarHBondContact O-CB 3.45Å; I1003-E1007 WeakPolarHBondContact O-CG 3.38Å; I1003-E1007 PolarHBondContact O-N 3Å; F1005-E1007 PolarHBondContact O-N 2.97Å; E1007-R1011 VanDerWaalsContact O-CB 3.25Å; E1007-R1011 WeakPolarHBondContact O-CB 3.28Å |
| 1008 | S | 87.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -77.2 | -51.6 | 177 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | R1004 F1005 L1006 F1010 R1011 K1012 | R1004-S1008 WeakPolarHBondContact O-CB 3.44Å; R1004-S1008 PolarHBondContact O-N 3.33Å; F1005-S1008 WeakPolarHBondContact O-CA 3.48Å; F1005-S1008 VanDerWaalsContact O-CB 3.31Å; F1005-S1008 WeakPolarHBondContact O-CB 3.26Å; F1005-S1008 PolarHBondContact O-N 2.98Å; L1006-S1008 PolarHBondContact O-N 2.64Å; S1008-F1010 PolarHBondContact O-N 3.07Å; S1008-R1011 WeakPolarHBondContact O-CB 3.37Å; S1008-R1011 PolarHBondContact O-N 3.49Å; S1008-K1012 WeakPolarHBondContact O-CG 3.32Å; S1008-K1012 PolarHBondContact O-N 3.35Å |
| 1009 | E | 86.3 | Confident | 85.1 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | -176.2 | -62.5 | -52.1 | 122.1 | 0 | 0 | 112.9 | F1005 L1006 R1011 K1012 G1013 N1014 I1017 | F1005-E1009 HydrophobicContact CD2-CG 3.85Å; F1005-E1009 HydrophobicContact CE2-CG 3.41Å; F1005-E1009 VanDerWaalsContact CE2-CG 3.41Å; F1005-E1009 HydrophobicContact CZ-CG 3.85Å; F1005-E1009 PolarHBondContact O-N 3.29Å; L1006-E1009 PolarHBondContact O-N 3.07Å; E1009-R1011 VanDerWaalsContact C-N 3.26Å; E1009-R1011 PolarHBondContact O-N 3.19Å; E1009-K1012 PolarHBondContact O-N 2.88Å; E1009-K1012 WeakPolarHBondContact OE1-CE 3.44Å; E1009-K1012 IonicContact OE1-NZ 3.39Å; E1009-K1012 PolarHBondContact OE1-NZ 3.27Å; E1009-K1012 IonicContact OE2-NZ 3.39Å; E1009-G1013 PolarHBondContact O-N 2.72Å; E1009-N1014 HydrophobicContact CB-CB 4.2Å; E1009-N1014 PolarHBondContact O-N 2.96Å; E1009-N1014 VanDerWaalsContact O-N 3.12Å; E1009-N1014 PolarHBondContact OE2-ND2 3.42Å; E1009-I1017 HydrophobicContact CB-CD1 4Å; E1009-I1017 HydrophobicContact CG-CD1 3.86Å |
| 1010 | F | 84.3 | Confident | 84.6 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 34% | 0.338 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.3 | -23.9 | 172.3 | -61.6 | -32.5 | 0 | 0 | 0 | 113.1 | I981 L1006 S1008 I1017 C1019 | I981-F1010 HydrophobicContact CG1-CZ 4.2Å; L1006-F1010 HydrophobicContact CB-CD2 4.3Å; L1006-F1010 HydrophobicContact CB-CE2 3.92Å; L1006-F1010 HydrophobicContact CD2-CE2 4.4Å; L1006-F1010 HydrophobicContact CD2-CZ 4.15Å; L1006-F1010 WeakPolarHBondContact O-CB 3.42Å; L1006-F1010 WeakPolarHBondContact O-CD2 3.39Å; L1006-F1010 VanDerWaalsContact O-CG 3.24Å; L1006-F1010 WeakPolarHBondContact O-CG 3.36Å; L1006-F1010 PolarHBondContact O-N 3.42Å; S1008-F1010 PolarHBondContact O-N 3.07Å; F1010-I1017 HydrophobicContact CE1-CG2 3.95Å; F1010-I1017 HydrophobicContact CZ-CG2 4.43Å; F1010-C1019 HydrophobicContact CE1-CB 4.16Å; F1010-C1019 HydrophobicContact CE2-CB 3.98Å; F1010-C1019 HydrophobicContact CZ-CB 3.66Å |
| 1011 | R | 83 | Confident | 83.5 | Confident | 198 Ų | 198 | 74 Ų | 74 | 75% | 0.747 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -80.8 | -35.5 | 174.3 | -171.1 | -171.6 | -51 | -168.7 | 3.9 | 112.4 | E1007 S1008 E1009 G1013 | E1007-R1011 VanDerWaalsContact O-CB 3.25Å; E1007-R1011 WeakPolarHBondContact O-CB 3.28Å; S1008-R1011 WeakPolarHBondContact O-CB 3.37Å; S1008-R1011 PolarHBondContact O-N 3.49Å; E1009-R1011 VanDerWaalsContact C-N 3.26Å; E1009-R1011 PolarHBondContact O-N 3.19Å; R1011-G1013 VanDerWaalsContact C-N 3.26Å |
| 1012 | K | 80.4 | Confident | 81.8 | Confident | 144 Ų | 144 | 78.2 Ų | 78.2 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.5 | -26.5 | 170.7 | -67.8 | 172.6 | -175.4 | 176.2 | 0 | 112.5 | S1008 E1009 | S1008-K1012 WeakPolarHBondContact O-CG 3.32Å; S1008-K1012 PolarHBondContact O-N 3.35Å; E1009-K1012 PolarHBondContact O-N 2.88Å; E1009-K1012 WeakPolarHBondContact OE1-CE 3.44Å; E1009-K1012 IonicContact OE1-NZ 3.39Å; E1009-K1012 PolarHBondContact OE1-NZ 3.27Å; E1009-K1012 IonicContact OE2-NZ 3.39Å |
| 1013 | G | 76.9 | Confident | 80 | Confident | 54 Ų | 54 | 81.8 Ų | 81.8 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 36 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1009 R1011 R1015 | E1009-G1013 PolarHBondContact O-N 2.72Å; R1011-G1013 VanDerWaalsContact C-N 3.26Å; G1013-R1015 PolarHBondContact O-N 3.23Å |
| 1014 | N | 77.9 | Confident | 78.3 | Confident | 39 Ų | 39 | 84.8 Ų | 84.8 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | trans | -55.9 | 124 | -179.8 | -173.6 | -25 | 0 | 0 | 0 | 110.9 | E1009 Y1016 | E1009-N1014 HydrophobicContact CB-CB 4.2Å; E1009-N1014 PolarHBondContact O-N 2.96Å; E1009-N1014 VanDerWaalsContact O-N 3.12Å; E1009-N1014 PolarHBondContact OE2-ND2 3.42Å; N1014-Y1016 PolarHBondContact O-N 2.76Å; N1014-Y1016 PolarHBondContact OD1-N 3.39Å | ||
| 1015 | R | 76.8 | Confident | 76.3 | Confident | 173 Ų | 173 | 87.3 Ų | 87.3 | 65% | 0.653 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.9 | -175.9 | -56.3 | -169.7 | -57.2 | -172.1 | 3.3 | 113.3 | G1013 R1018 | G1013-R1015 PolarHBondContact O-N 3.23Å; R1015-R1018 PolarHBondContact O-NE 3.48Å; R1015-R1018 PolarHBondContact O-NH2 2.87Å |
| 1016 | Y | 82.6 | Confident | 74.3 | Confident | 73 Ų | 73 | 92 Ų | 92 | 29% | 0.286 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -5.3 | -170.8 | -55.4 | -81 | 0 | 0 | 0 | 113.8 | G975 I979 N1014 | G975-Y1016 WeakPolarHBondContact O-CE1 3.35Å; I979-Y1016 PolarHBondContact N-O 2.92Å; N1014-Y1016 PolarHBondContact O-N 2.76Å; N1014-Y1016 PolarHBondContact OD1-N 3.39Å |
| 1017 | I | 85.9 | Confident | 72.3 | Confident | 5 Ų | 5 | 100.1 Ų | 100.1 | 3% | 0.026 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.8 | 171.1 | -45.8 | -175.7 | 0 | 0 | 0 | 110.2 | A972 I979 I981 F1005 L1006 E1009 F1010 | A972-I1017 HydrophobicContact CB-CD1 3.54Å; A972-I1017 HydrophobicContact CB-CG1 3.67Å; I979-I1017 CarbonylContact O-C 3.32Å; I979-I1017 WeakPolarHBondContact O-CA 3.25Å; I981-I1017 HydrophobicContact CD1-CG2 4.34Å; I981-I1017 HydrophobicContact CG1-CG2 4Å; F1005-I1017 HydrophobicContact CE1-CD1 3.86Å; F1005-I1017 HydrophobicContact CE2-CD1 4.41Å; F1005-I1017 HydrophobicContact CZ-CD1 3.49Å; F1005-I1017 VanDerWaalsContact CZ-CD1 3.49Å; L1006-I1017 HydrophobicContact CD2-CG2 4.12Å; E1009-I1017 HydrophobicContact CB-CD1 4Å; E1009-I1017 HydrophobicContact CG-CD1 3.86Å; F1010-I1017 HydrophobicContact CE1-CG2 3.95Å; F1010-I1017 HydrophobicContact CZ-CG2 4.43Å |
| 1018 | R | 83.1 | Confident | 70.4 | Confident | 125 Ų | 125 | 104.5 Ų | 104.5 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.9 | -173.1 | -57.6 | -177.8 | -173.8 | -179.1 | 4.8 | 112 | I978 I979 I980 I981 R1015 | I978-R1018 HydrophobicContact CG2-CG 4.49Å; I979-R1018 PolarHBondContact O-N 3.42Å; I980-R1018 WeakPolarHBondContact CA-O 3.33Å; I981-R1018 PolarHBondContact N-O 3.07Å; R1015-R1018 PolarHBondContact O-NE 3.48Å; R1015-R1018 PolarHBondContact O-NH2 2.87Å |
| 1019 | C | 82.4 | Confident | 68.7 | Low | 54 Ų | 54 | 111.3 Ų | 111.3 | 37% | 0.365 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133.5 | 164 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | F1010 | F1010-C1019 HydrophobicContact CE1-CB 4.16Å; F1010-C1019 HydrophobicContact CE2-CB 3.98Å; F1010-C1019 HydrophobicContact CZ-CB 3.66Å |
| 1020 | Q | 76.1 | Confident | 67.1 | Low | 34 Ų | 34 | 113.3 Ų | 113.3 | 16% | 0.159 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 146 | 173.1 | -168.1 | 168.2 | 17 | 0 | 0 | 111.5 | I981 S1048 | I981-Q1020 PolarHBondContact O-N 2.88Å; I981-Q1020 VanDerWaalsContact O-N 3.11Å; Q1020-S1048 PolarHBondContact NE2-O 3.31Å; Q1020-S1048 VanDerWaalsContact OE1-CB 3.25Å; Q1020-S1048 PolarHBondContact OE1-OG 3.42Å |
| 1021 | K | 65.4 | Low | 65.6 | Low | 153 Ų | 153 | 118.2 Ų | 118.2 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 144.7 | 172 | -62.7 | 174.1 | -173.4 | 167 | 0 | 109 | S1023 | K1021-S1023 PolarHBondContact O-N 3.44Š|
| 1022 | E | 54.8 | Low | 64.4 | Low | 148 Ų | 148 | 110.4 Ų | 110.4 | 69% | 0.692 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 119.2 | 170 | -76.4 | 164.8 | 130.4 | 0 | 0 | 110.1 | R983 | R983-E1022 VanDerWaalsContact CZ-CD 3.49Å; R983-E1022 IonicContact CZ-OE1 3.99Å; R983-E1022 IonicContact CZ-OE2 2.66Å; R983-E1022 IonicContact NE-OE1 2.77Å; R983-E1022 IonicContact NH1-OE1 2.9Å; R983-E1022 PolarHBondContact NH1-OE1 2.96Å; R983-E1022 IonicContact NH1-OE2 2.65Å; R983-E1022 PolarHBondContact NH1-OE2 3.06Å; R983-E1022 IonicContact NH2-OE1 2.8Å; R983-E1022 PolarHBondContact NH2-OE1 2.72Å; R983-E1022 IonicContact NH2-OE2 2.79Å |
| 1023 | S | 50.9 | Low | 63.4 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | trans | -121.5 | 128 | 166.2 | 49.7 | 0 | 0 | 0 | 0 | 108.2 | K1021 R1025 Q1051 | K1021-S1023 PolarHBondContact O-N 3.44Å; S1023-R1025 PolarHBondContact O-N 3.08Å; S1023-Q1051 PolarHBondContact OG-OE1 2.8Å; S1023-Q1051 VanDerWaalsContact OG-OE1 3.06Å | ||
| 1024 | G | 52.4 | Low | 62.4 | Low | 81 Ų | 81 | 115.3 Ų | 115.3 | 84% | 0.835 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -88 | 99.3 | -158 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1025 | R | 46.9 | Very low | 61.7 | Low | 224 Ų | 224 | 121 Ų | 121 | 85% | 0.845 | 56% | 0.561 | S | S | * | * | trans | -169.6 | 101.9 | 148 | -104.5 | 168.4 | -166.5 | -157.5 | 3 | 108.9 | S1023 | S1023-R1025 PolarHBondContact O-N 3.08Š| ||
| 1026 | T | 49.6 | Very low | 61.7 | Low | 116 Ų | 116 | 114 Ų | 114 | 71% | 0.712 | 54% | 0.536 | S | S | * | . | trans | -93.9 | 116 | 179.8 | -23.8 | 0 | 0 | 0 | 0 | 109.7 | E1028 | T1026-E1028 PolarHBondContact O-N 3.4Š| ||
| 1027 | F | 48 | Very low | 61.3 | Low | 178 Ų | 178 | 115.6 Ų | 115.6 | 78% | 0.781 | 55% | 0.549 | S | S | * | . | trans | -70.1 | 127.5 | 173.1 | -95.7 | -87.4 | 0 | 0 | 0 | 111.6 | R1029 K1044 | F1027-R1029 PolarHBondContact O-N 2.9Å; F1027-K1044 PolarHBondContact O-NZ 3.25Å | ||
| 1028 | E | 47.4 | Very low | 60.9 | Low | 172 Ų | 172 | 120 Ų | 120 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | trans | -94 | 92.4 | -176.8 | -64.6 | -159.5 | 144.3 | 0 | 0 | 112.8 | T1026 | T1026-E1028 PolarHBondContact O-N 3.4Š| ||
| 1029 | R | 51.8 | Low | 60.8 | Low | 195 Ų | 195 | 114 Ų | 114 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | trans | -100.2 | 59.4 | 155.5 | -87 | -173.1 | 165.5 | -167.9 | -2.2 | 110.2 | F1027 K1031 L1032 | F1027-R1029 PolarHBondContact O-N 2.9Å; R1029-K1031 PolarHBondContact O-N 3.11Å; R1029-L1032 PolarHBondContact O-N 3.09Å; R1029-L1032 VanDerWaalsContact O-N 3.12Å | ||
| 1030 | D | 51.7 | Low | 60.7 | Low | 61 Ų | 61 | 114.2 Ų | 114.2 | 33% | 0.326 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -9.5 | -171.4 | -152.6 | 59 | 0 | 0 | 0 | 114 | K1033 | D1030-K1033 WeakPolarHBondContact OD1-CD 3.48Å; D1030-K1033 IonicContact OD1-NZ 2.68Å; D1030-K1033 PolarHBondContact OD1-NZ 2.85Å; D1030-K1033 IonicContact OD2-NZ 2.98Å |
| 1031 | K | 53.8 | Low | 60.9 | Low | 181 Ų | 181 | 114.8 Ų | 114.8 | 79% | 0.787 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -38.7 | 170.4 | -65.9 | -177.3 | -179.4 | 177.3 | 0 | 113.1 | R1029 K1033 R1034 | R1029-K1031 PolarHBondContact O-N 3.11Å; K1031-K1033 PolarHBondContact O-N 3.31Å; K1031-R1034 PolarHBondContact O-N 3.21Å |
| 1032 | L | 58.5 | Low | 61.7 | Low | 34 Ų | 34 | 108.2 Ų | 108.2 | 18% | 0.178 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -68.6 | -36.9 | -173 | -152.6 | 82.1 | 0 | 0 | 0 | 112.3 | R1029 R1034 Q1035 D1036 A1039 W1040 Y1043 A1084 | R1029-L1032 PolarHBondContact O-N 3.09Å; R1029-L1032 VanDerWaalsContact O-N 3.12Å; L1032-R1034 PolarHBondContact O-N 3.03Å; L1032-Q1035 PolarHBondContact O-N 2.93Å; L1032-D1036 PolarHBondContact O-N 3.31Å; L1032-A1039 HydrophobicContact CD2-CB 4.44Å; L1032-W1040 HydrophobicContact CD2-CB 4.43Å; L1032-Y1043 HydrophobicContact CD2-CD2 3.34Å; L1032-Y1043 HydrophobicContact CD2-CE2 3.56Å; L1032-Y1043 HydrophobicContact CD2-CG 4.43Å; L1032-A1084 HydrophobicContact CD1-CB 3.98Å; L1032-A1084 HydrophobicContact CG-CB 4.44Å |
| 1033 | K | 57.5 | Low | 63.1 | Low | 90 Ų | 90 | 102.9 Ų | 102.9 | 39% | 0.391 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -55.3 | -16.6 | 176.1 | -175 | -179.2 | 168.9 | -171.6 | 0 | 114.6 | D1030 K1031 W1040 | D1030-K1033 WeakPolarHBondContact OD1-CD 3.48Å; D1030-K1033 IonicContact OD1-NZ 2.68Å; D1030-K1033 PolarHBondContact OD1-NZ 2.85Å; D1030-K1033 IonicContact OD2-NZ 2.98Å; K1031-K1033 PolarHBondContact O-N 3.31Å; K1033-W1040 HydrophobicContact CB-CD2 4.2Å; K1033-W1040 HydrophobicContact CB-CG 4.04Å; K1033-W1040 HydrophobicContact CD-CZ2 4.07Å; K1033-W1040 HydrophobicContact CG-CD2 4.19Å; K1033-W1040 HydrophobicContact CG-CZ2 4.39Å |
| 1034 | R | 57.8 | Low | 64.5 | Low | 211 Ų | 211 | 100.6 Ų | 100.6 | 80% | 0.796 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -103.6 | -6.5 | 176.2 | -55.7 | -172.9 | -169 | -171.3 | 3.3 | 113.9 | K1031 L1032 | K1031-R1034 PolarHBondContact O-N 3.21Å; L1032-R1034 PolarHBondContact O-N 3.03Å |
| 1035 | Q | 62 | Low | 65.9 | Low | 158 Ų | 158 | 97 Ų | 97 | 74% | 0.738 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -44.3 | -174.7 | -68.5 | -178.7 | -31.7 | 0 | 0 | 112.1 | L1032 | L1032-Q1035 PolarHBondContact O-N 2.93Š|
| 1036 | D | 76.9 | Confident | 67.6 | Low | 27 Ų | 27 | 86.5 Ų | 86.5 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | trans | -146 | 114.3 | 175.9 | -172.5 | -27 | 0 | 0 | 0 | 109.8 | L1032 E1038 A1039 W1040 S1082 A1084 | L1032-D1036 PolarHBondContact O-N 3.31Å; D1036-E1038 PolarHBondContact OD1-N 3.49Å; D1036-A1039 HydrophobicContact CB-CB 3.89Å; D1036-A1039 VanDerWaalsContact CG-CB 3.42Å; D1036-A1039 PolarHBondContact OD1-N 3.25Å; D1036-W1040 VanDerWaalsContact O-CB 3.27Å; D1036-W1040 WeakPolarHBondContact O-CB 3.3Å; D1036-W1040 PolarHBondContact O-N 3.32Å; D1036-S1082 WeakPolarHBondContact OD2-CB 3.31Å; D1036-S1082 PolarHBondContact OD2-OG 2.85Å; D1036-A1084 HydrophobicContact CB-CB 3.84Å | ||
| 1037 | I | 75.3 | Confident | 68.9 | Low | 106 Ų | 106 | 83.7 Ų | 83.7 | 54% | 0.544 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -80.9 | -31.2 | -178 | -70.7 | 173.7 | 0 | 0 | 0 | 111.4 | H1041 | I1037-H1041 WeakPolarHBondContact CG2-CE1 3.44Å; I1037-H1041 VanDerWaalsContact O-CG 3.26Å; I1037-H1041 PolarHBondContact O-N 3.16Å; I1037-H1041 VanDerWaalsContact O-N 3.1Å; I1037-H1041 PolarHBondContact O-ND1 3.18Å |
| 1038 | E | 76.2 | Confident | 70.2 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.2 | -47.6 | 177.5 | -60.6 | -167.2 | 166.7 | 0 | 0 | 109.9 | D1036 W1040 H1041 L1042 R1081 M1085 | D1036-E1038 PolarHBondContact OD1-N 3.49Å; E1038-W1040 VanDerWaalsContact C-N 3.31Å; E1038-W1040 PolarHBondContact O-N 2.9Å; E1038-H1041 WeakPolarHBondContact O-CB 3.37Å; E1038-H1041 PolarHBondContact O-N 3.39Å; E1038-H1041 VanDerWaalsContact O-N 3.14Å; E1038-L1042 PolarHBondContact O-N 3.08Å; E1038-R1081 IonicContact OE2-CZ 3.8Å; E1038-R1081 IonicContact OE2-NH1 3.64Å; E1038-R1081 PolarHBondContact OE2-NH1 3.23Å; E1038-M1085 VanDerWaalsContact C-CE 3.45Å; E1038-M1085 HydrophobicContact CB-CE 3.38Å |
| 1039 | A | 80.5 | Confident | 71.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1032 D1036 H1041 L1042 Y1043 A1084 M1085 A1088 | L1032-A1039 HydrophobicContact CD2-CB 4.44Å; D1036-A1039 HydrophobicContact CB-CB 3.89Å; D1036-A1039 VanDerWaalsContact CG-CB 3.42Å; D1036-A1039 PolarHBondContact OD1-N 3.25Å; A1039-H1041 VanDerWaalsContact C-N 3.34Å; A1039-H1041 PolarHBondContact O-N 3.01Å; A1039-L1042 PolarHBondContact O-N 2.63Å; A1039-Y1043 WeakPolarHBondContact O-CD2 3.26Å; A1039-Y1043 PolarHBondContact O-N 3.35Å; A1039-A1084 HydrophobicContact CB-CB 3.81Å; A1039-M1085 HydrophobicContact CB-CB 4.14Å; A1039-M1085 HydrophobicContact CB-CE 4.32Å; A1039-M1085 HydrophobicContact CB-SD 4.26Å; A1039-A1088 HydrophobicContact CB-CB 4.39Å |
| 1040 | W | 81.3 | Confident | 72.9 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 175.4 | -177.6 | 81.6 | 0 | 0 | 0 | 112.8 | L1032 K1033 D1036 E1038 K1044 | L1032-W1040 HydrophobicContact CD2-CB 4.43Å; K1033-W1040 HydrophobicContact CB-CD2 4.2Å; K1033-W1040 HydrophobicContact CB-CG 4.04Å; K1033-W1040 HydrophobicContact CD-CZ2 4.07Å; K1033-W1040 HydrophobicContact CG-CD2 4.19Å; K1033-W1040 HydrophobicContact CG-CZ2 4.39Å; D1036-W1040 VanDerWaalsContact O-CB 3.27Å; D1036-W1040 WeakPolarHBondContact O-CB 3.3Å; D1036-W1040 PolarHBondContact O-N 3.32Å; E1038-W1040 VanDerWaalsContact C-N 3.31Å; E1038-W1040 PolarHBondContact O-N 2.9Å; W1040-K1044 HydrophobicContact CD2-CG 4.37Å; W1040-K1044 HydrophobicContact CH2-CG 4.47Å; W1040-K1044 HydrophobicContact CZ2-CG 4.05Å; W1040-K1044 WeakPolarHBondContact O-CG 3.5Å; W1040-K1044 PolarHBondContact O-N 2.92Å |
| 1041 | H | 80.1 | Confident | 73.7 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 21% | 0.213 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 171.8 | -66.4 | 136.9 | 0 | 0 | 0 | 111.9 | T984 R991 I1037 E1038 A1039 K1044 M1045 | T984-H1041 HydrophobicContact CG2-CB 4.42Å; R991-H1041 PolarHBondContact NH2-NE2 3.12Å; I1037-H1041 WeakPolarHBondContact CG2-CE1 3.44Å; I1037-H1041 VanDerWaalsContact O-CG 3.26Å; I1037-H1041 PolarHBondContact O-N 3.16Å; I1037-H1041 VanDerWaalsContact O-N 3.1Å; I1037-H1041 PolarHBondContact O-ND1 3.18Å; E1038-H1041 WeakPolarHBondContact O-CB 3.37Å; E1038-H1041 PolarHBondContact O-N 3.39Å; E1038-H1041 VanDerWaalsContact O-N 3.14Å; A1039-H1041 VanDerWaalsContact C-N 3.34Å; A1039-H1041 PolarHBondContact O-N 3.01Å; H1041-K1044 CarbonylContact O-C 3.58Å; H1041-K1044 PolarHBondContact O-N 2.93Å; H1041-K1044 VanDerWaalsContact O-N 3.16Å; H1041-M1045 WeakPolarHBondContact O-CG 3.4Å; H1041-M1045 PolarHBondContact O-N 3.43Å |
| 1042 | L | 82.8 | Confident | 74.3 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 178.2 | -178.4 | 58.2 | 0 | 0 | 0 | 111.4 | E1038 A1039 K1044 M1045 V1046 I1069 M1085 A1088 L1099 | E1038-L1042 PolarHBondContact O-N 3.08Å; A1039-L1042 PolarHBondContact O-N 2.63Å; L1042-K1044 VanDerWaalsContact C-N 3.3Å; L1042-K1044 PolarHBondContact O-N 3.48Å; L1042-M1045 WeakPolarHBondContact O-CA 3.4Å; L1042-M1045 WeakPolarHBondContact O-CB 3.46Å; L1042-M1045 PolarHBondContact O-N 3.04Å; L1042-V1046 PolarHBondContact O-N 3.28Å; L1042-I1069 HydrophobicContact CD1-CG2 4.36Å; L1042-M1085 HydrophobicContact CB-SD 4.33Å; L1042-M1085 HydrophobicContact CD2-SD 3.68Å; L1042-A1088 HydrophobicContact CB-CB 4.2Å; L1042-A1088 HydrophobicContact CD2-CB 3.94Å; L1042-A1088 HydrophobicContact CG-CB 4.12Å; L1042-L1099 HydrophobicContact CD1-CD1 4.44Å; L1042-L1099 HydrophobicContact CD2-CD2 4.24Å |
| 1043 | Y | 83.4 | Confident | 74.5 | Confident | 36 Ų | 36 | 56 Ų | 56 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.1 | -44.1 | 171.5 | -93.1 | -66.1 | 0 | 0 | 0 | 112.4 | L1032 A1039 M1045 V1046 D1047 S1087 A1088 A1091 | L1032-Y1043 HydrophobicContact CD2-CD2 3.34Å; L1032-Y1043 HydrophobicContact CD2-CE2 3.56Å; L1032-Y1043 HydrophobicContact CD2-CG 4.43Å; A1039-Y1043 WeakPolarHBondContact O-CD2 3.26Å; A1039-Y1043 PolarHBondContact O-N 3.35Å; Y1043-M1045 VanDerWaalsContact C-N 3.25Å; Y1043-M1045 PolarHBondContact O-N 3.02Å; Y1043-V1046 PolarHBondContact O-N 3.33Å; Y1043-D1047 PolarHBondContact O-N 2.83Å; Y1043-S1087 WeakPolarHBondContact OH-CB 3.38Å; Y1043-S1087 PolarHBondContact OH-O 3.36Å; Y1043-S1087 VanDerWaalsContact OH-O 3.04Å; Y1043-S1087 PolarHBondContact OH-OG 2.91Å; Y1043-S1087 VanDerWaalsContact OH-OG 3.04Å; Y1043-A1088 HydrophobicContact CD2-CB 3.52Å; Y1043-A1088 HydrophobicContact CE2-CB 3.56Å; Y1043-A1088 HydrophobicContact CG-CB 4.07Å; Y1043-A1091 HydrophobicContact CD1-CB 4.18Å; Y1043-A1091 HydrophobicContact CE1-CB 3.51Å |
| 1044 | K | 79.7 | Confident | 74.5 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -18.4 | 177.9 | -72.2 | -69.7 | 161.3 | -149.7 | 0 | 113.6 | T984 F1027 W1040 H1041 L1042 D1047 S1048 | T984-K1044 HydrophobicContact CG2-CB 4.13Å; F1027-K1044 PolarHBondContact O-NZ 3.25Å; W1040-K1044 HydrophobicContact CD2-CG 4.37Å; W1040-K1044 HydrophobicContact CH2-CG 4.47Å; W1040-K1044 HydrophobicContact CZ2-CG 4.05Å; W1040-K1044 WeakPolarHBondContact O-CG 3.5Å; W1040-K1044 PolarHBondContact O-N 2.92Å; H1041-K1044 CarbonylContact O-C 3.58Å; H1041-K1044 PolarHBondContact O-N 2.93Å; H1041-K1044 VanDerWaalsContact O-N 3.16Å; L1042-K1044 VanDerWaalsContact C-N 3.3Å; L1042-K1044 PolarHBondContact O-N 3.48Å; K1044-D1047 WeakPolarHBondContact CE-OD2 3.41Å; K1044-D1047 IonicContact NZ-OD2 3.22Å; K1044-D1047 PolarHBondContact NZ-OD2 3.09Å; K1044-S1048 VanDerWaalsContact O-CB 3.31Å; K1044-S1048 WeakPolarHBondContact O-CB 3.5Å; K1044-S1048 PolarHBondContact O-N 2.87Å; K1044-S1048 PolarHBondContact O-OG 2.61Å |
| 1045 | M | 81.9 | Confident | 74.1 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.3 | -43.5 | 165.8 | -69.7 | 176.6 | 60.5 | 0 | 0 | 111.6 | V955 D957 P982 V985 H1041 L1042 Y1043 S1048 C1049 I1069 | V955-M1045 HydrophobicContact CG1-CE 4.02Å; D957-M1045 HydrophobicContact CB-CE 3.75Å; D957-M1045 HydrophobicContact CB-SD 3.8Å; P982-M1045 HydrophobicContact CG-CG 4.31Å; V985-M1045 HydrophobicContact CG2-CE 4Å; V985-M1045 HydrophobicContact CG2-CG 4.03Å; V985-M1045 HydrophobicContact CG2-SD 3.59Å; V985-M1045 VanDerWaalsContact CG2-SD 3.59Å; H1041-M1045 WeakPolarHBondContact O-CG 3.4Å; H1041-M1045 PolarHBondContact O-N 3.43Å; L1042-M1045 WeakPolarHBondContact O-CA 3.4Å; L1042-M1045 WeakPolarHBondContact O-CB 3.46Å; L1042-M1045 PolarHBondContact O-N 3.04Å; Y1043-M1045 VanDerWaalsContact C-N 3.25Å; Y1043-M1045 PolarHBondContact O-N 3.02Å; M1045-S1048 CarbonylContact O-C 3.46Å; M1045-S1048 WeakPolarHBondContact O-CA 3.36Å; M1045-S1048 VanDerWaalsContact O-CB 3.3Å; M1045-S1048 WeakPolarHBondContact O-CB 3.4Å; M1045-S1048 PolarHBondContact O-N 3.36Å; M1045-S1048 VanDerWaalsContact O-N 3.15Å; M1045-C1049 PolarHBondContact O-N 3.36Å; M1045-C1049 PolarHBondContact O-SG 2.96Å; M1045-I1069 HydrophobicContact CE-CG2 3.8Å |
| 1046 | V | 82.7 | Confident | 73.6 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L1042 Y1043 S1048 C1049 R1050 I1069 A1091 A1092 A1095 M1097 | L1042-V1046 PolarHBondContact O-N 3.28Å; Y1043-V1046 PolarHBondContact O-N 3.33Å; V1046-S1048 VanDerWaalsContact C-N 3.27Å; V1046-S1048 PolarHBondContact O-N 2.95Å; V1046-C1049 PolarHBondContact O-N 3.2Å; V1046-C1049 VanDerWaalsContact O-N 3.07Å; V1046-R1050 PolarHBondContact O-N 2.91Å; V1046-I1069 HydrophobicContact CG2-CD1 3.81Å; V1046-A1091 WeakPolarHBondContact CG1-O 3.28Å; V1046-A1092 HydrophobicContact CG2-CB 3.72Å; V1046-A1095 HydrophobicContact CG1-CB 4.16Å; V1046-M1097 HydrophobicContact CG1-SD 4.38Å |
| 1047 | D | 78.6 | Confident | 71.8 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54 | -45.7 | 171.5 | -74.7 | -12.9 | 0 | 0 | 0 | 111.2 | Y1043 K1044 C1049 R1050 Q1051 | Y1043-D1047 PolarHBondContact O-N 2.83Å; K1044-D1047 WeakPolarHBondContact CE-OD2 3.41Å; K1044-D1047 IonicContact NZ-OD2 3.22Å; K1044-D1047 PolarHBondContact NZ-OD2 3.09Å; D1047-C1049 VanDerWaalsContact C-N 3.29Å; D1047-C1049 PolarHBondContact O-N 3.49Å; D1047-R1050 PolarHBondContact O-N 3.24Å; D1047-Q1051 PolarHBondContact O-N 2.9Å |
| 1048 | S | 75.1 | Confident | 70.3 | Confident | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -34.8 | 177.9 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | Q1020 K1044 M1045 V1046 | Q1020-S1048 PolarHBondContact NE2-O 3.31Å; Q1020-S1048 VanDerWaalsContact OE1-CB 3.25Å; Q1020-S1048 PolarHBondContact OE1-OG 3.42Å; K1044-S1048 VanDerWaalsContact O-CB 3.31Å; K1044-S1048 WeakPolarHBondContact O-CB 3.5Å; K1044-S1048 PolarHBondContact O-N 2.87Å; K1044-S1048 PolarHBondContact O-OG 2.61Å; M1045-S1048 CarbonylContact O-C 3.46Å; M1045-S1048 WeakPolarHBondContact O-CA 3.36Å; M1045-S1048 VanDerWaalsContact O-CB 3.3Å; M1045-S1048 WeakPolarHBondContact O-CB 3.4Å; M1045-S1048 PolarHBondContact O-N 3.36Å; M1045-S1048 VanDerWaalsContact O-N 3.15Å; V1046-S1048 VanDerWaalsContact C-N 3.27Å; V1046-S1048 PolarHBondContact O-N 2.95Å |
| 1049 | C | 78.7 | Confident | 68.9 | Low | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.9 | -35.5 | 178.8 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | M1045 V1046 D1047 Q1051 L1052 T1053 V1067 M1097 | M1045-C1049 PolarHBondContact O-N 3.36Å; M1045-C1049 PolarHBondContact O-SG 2.96Å; V1046-C1049 PolarHBondContact O-N 3.2Å; V1046-C1049 VanDerWaalsContact O-N 3.07Å; D1047-C1049 VanDerWaalsContact C-N 3.29Å; D1047-C1049 PolarHBondContact O-N 3.49Å; C1049-Q1051 PolarHBondContact O-N 3.38Å; C1049-L1052 VanDerWaalsContact O-CB 3.29Å; C1049-L1052 WeakPolarHBondContact O-CB 3.26Å; C1049-L1052 PolarHBondContact O-N 3.16Å; C1049-T1053 PolarHBondContact O-N 3.41Å; C1049-V1067 HydrophobicContact CB-CG1 4.4Å; C1049-M1097 VanDerWaalsContact C-CE 3.45Å; C1049-M1097 HydrophobicContact CB-CE 3.47Å; C1049-M1097 VanDerWaalsContact CB-CE 3.47Å; C1049-M1097 HydrophobicContact CB-SD 3.37Å; C1049-M1097 WeakPolarHBondContact CB-SD 3.38Å |
| 1050 | R | 76.2 | Confident | 67 | Low | 102 Ų | 102 | 59.3 Ų | 59.3 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -30.8 | 176.2 | -75 | -173.1 | -178.6 | -102.3 | 3.4 | 111.8 | V1046 D1047 L1052 T1053 V1054 S1094 A1095 M1097 | V1046-R1050 PolarHBondContact O-N 2.91Å; D1047-R1050 PolarHBondContact O-N 3.24Å; R1050-L1052 PolarHBondContact O-N 3.37Å; R1050-T1053 PolarHBondContact O-OG1 3.07Å; R1050-V1054 WeakPolarHBondContact O-CB 3.45Å; R1050-V1054 VanDerWaalsContact O-CG2 3.25Å; R1050-V1054 WeakPolarHBondContact O-CG2 3.41Å; R1050-V1054 PolarHBondContact O-N 3.33Å; R1050-S1094 VanDerWaalsContact NH2-C 3.26Å; R1050-S1094 PolarHBondContact NH2-O 2.65Å; R1050-A1095 HydrophobicContact CG-CB 4.05Å; R1050-A1095 VanDerWaalsContact NH2-CA 3.31Å; R1050-A1095 VanDerWaalsContact NH2-CB 3.31Å; R1050-M1097 HydrophobicContact CB-CE 4.37Å; R1050-M1097 HydrophobicContact CG-CE 3.77Å |
| 1051 | Q | 68.9 | Low | 65.6 | Low | 62 Ų | 62 | 65.5 Ų | 65.5 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -23.3 | 172.7 | -65.1 | -174.3 | -3.7 | 0 | 0 | 113.5 | S1023 D1047 C1049 S1055 | S1023-Q1051 PolarHBondContact OG-OE1 2.8Å; S1023-Q1051 VanDerWaalsContact OG-OE1 3.06Å; D1047-Q1051 PolarHBondContact O-N 2.9Å; C1049-Q1051 PolarHBondContact O-N 3.38Å; Q1051-S1055 WeakPolarHBondContact O-CB 3.45Å; Q1051-S1055 PolarHBondContact O-N 2.9Å; Q1051-S1055 PolarHBondContact O-OG 3.22Å |
| 1052 | L | 65.8 | Low | 64.3 | Low | 37 Ų | 37 | 70.6 Ų | 70.6 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -79 | -37.6 | -179.9 | -56.9 | 172.5 | 0 | 0 | 0 | 112.1 | I980 C1049 R1050 | I980-L1052 HydrophobicContact CB-CD1 4.49Å; I980-L1052 HydrophobicContact CD1-CD1 3.7Å; I980-L1052 HydrophobicContact CD1-CD2 4.09Å; I980-L1052 HydrophobicContact CD1-CG 4.49Å; I980-L1052 HydrophobicContact CG2-CD1 4.14Å; C1049-L1052 VanDerWaalsContact O-CB 3.29Å; C1049-L1052 WeakPolarHBondContact O-CB 3.26Å; C1049-L1052 PolarHBondContact O-N 3.16Å; R1050-L1052 PolarHBondContact O-N 3.37Å |
| 1053 | T | 62.6 | Low | 63.1 | Low | 18 Ų | 18 | 72 Ų | 72 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -77.1 | -50.1 | 176.6 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | C1049 R1050 S1055 Q1056 T1063 V1067 | C1049-T1053 PolarHBondContact O-N 3.41Å; R1050-T1053 PolarHBondContact O-OG1 3.07Å; T1053-S1055 PolarHBondContact O-N 3Å; T1053-S1055 VanDerWaalsContact O-N 3.07Å; T1053-Q1056 PolarHBondContact O-N 3.08Å; T1053-T1063 HydrophobicContact CG2-CG2 4.4Å; T1053-V1067 HydrophobicContact CG2-CG2 4.1Å |
| 1054 | V | 57.3 | Low | 62 | Low | 108 Ų | 108 | 73.7 Ų | 73.7 | 66% | 0.655 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.2 | -19.4 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 113.2 | R1050 Q1056 | R1050-V1054 WeakPolarHBondContact O-CB 3.45Å; R1050-V1054 VanDerWaalsContact O-CG2 3.25Å; R1050-V1054 WeakPolarHBondContact O-CG2 3.41Å; R1050-V1054 PolarHBondContact O-N 3.33Å; V1054-Q1056 PolarHBondContact O-N 2.86Å |
| 1055 | S | 51.2 | Low | 61.4 | Low | 99 Ų | 99 | 74.2 Ų | 74.2 | 69% | 0.692 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -2.6 | 173.7 | -65.8 | 0 | 0 | 0 | 0 | 114.5 | Q1051 T1053 | Q1051-S1055 WeakPolarHBondContact O-CB 3.45Å; Q1051-S1055 PolarHBondContact O-N 2.9Å; Q1051-S1055 PolarHBondContact O-OG 3.22Å; T1053-S1055 PolarHBondContact O-N 3Å; T1053-S1055 VanDerWaalsContact O-N 3.07Å |
| 1056 | Q | 50.1 | Low | 61.1 | Low | 140 Ų | 140 | 77.5 Ų | 77.5 | 65% | 0.654 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135 | -9.2 | -171.6 | -70.3 | -175 | 91.1 | 0 | 0 | 115.9 | T1053 V1054 | T1053-Q1056 PolarHBondContact O-N 3.08Å; V1054-Q1056 PolarHBondContact O-N 2.86Å |
| 1057 | S | 39.7 | Very low | 61.2 | Low | 47 Ų | 47 | 77.5 Ų | 77.5 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | trans | -118.1 | 135.2 | -179.8 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1058 | N | 42.7 | Very low | 61.7 | Low | 158 Ų | 158 | 74.8 Ų | 74.8 | 85% | 0.845 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -88.8 | 104.7 | 154.5 | -80.1 | -1.6 | 0 | 0 | 0 | 107.2 | D1060 | N1058-D1060 PolarHBondContact O-N 3.08Š|
| 1059 | G | 47.5 | Very low | 62.4 | Low | 83 Ų | 83 | 73.9 Ų | 73.9 | 86% | 0.856 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 81.1 | -37.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 1060 | D | 41.7 | Very low | 63 | Low | 125 Ų | 125 | 73.9 Ų | 73.9 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | trans | -88.7 | 159.6 | -163 | -63.7 | -49.7 | 0 | 0 | 0 | 116.9 | N1058 D1062 | N1058-D1060 PolarHBondContact O-N 3.08Å; D1060-D1062 VanDerWaalsContact C-N 3.3Å; D1060-D1062 PolarHBondContact O-N 2.99Å | ||
| 1061 | E | 50.4 | Low | 63.6 | Low | 187 Ų | 187 | 69.1 Ų | 69.1 | 87% | 0.874 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -71.1 | -12.8 | -171.7 | -62.5 | -161.4 | 119.9 | 0 | 0 | 115.4 | T1063 A1064 | E1061-T1063 PolarHBondContact O-N 3.12Å; E1061-A1064 PolarHBondContact O-N 3.13Å |
| 1062 | D | 53 | Low | 64.3 | Low | 153 Ų | 153 | 66.8 Ų | 66.8 | 82% | 0.818 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 9.9 | -175.2 | -84.1 | -13.1 | 0 | 0 | 0 | 116.5 | D1060 | D1060-D1062 VanDerWaalsContact C-N 3.3Å; D1060-D1062 PolarHBondContact O-N 2.99Å |
| 1063 | T | 57.5 | Low | 65.3 | Low | 44 Ų | 44 | 67.4 Ų | 67.4 | 27% | 0.27 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -3.8 | 176.6 | 49.6 | 0 | 0 | 0 | 0 | 114.6 | T1053 E1061 | T1053-T1063 HydrophobicContact CG2-CG2 4.4Å; E1061-T1063 PolarHBondContact O-N 3.12Å |
| 1064 | A | 60.2 | Low | 66.3 | Low | 73 Ų | 73 | 70.9 Ų | 70.9 | 60% | 0.603 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 136.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1061 M1066 | E1061-A1064 PolarHBondContact O-N 3.13Å; A1064-M1066 PolarHBondContact O-N 3.3Å |
| 1065 | G | 67.3 | Low | 67.5 | Low | 36 Ų | 36 | 67.3 Ų | 67.3 | 37% | 0.371 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -7.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S951 V1067 G1096 | S951-G1065 WeakPolarHBondContact CB-O 3.29Å; G1065-V1067 VanDerWaalsContact C-N 3.28Å; G1065-V1067 PolarHBondContact O-N 3.06Å; G1065-G1096 PolarHBondContact N-O 3.17Å |
| 1066 | M | 76.8 | Confident | 68.9 | Low | 77 Ų | 77 | 69.3 Ų | 69.3 | 38% | 0.379 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -71.3 | -15.2 | -176.1 | -76.6 | -71.6 | -84.5 | 0 | 0 | 114.9 | P952 Y953 A1064 | P952-M1066 HydrophobicContact CG-CE 4.25Å; P952-M1066 HydrophobicContact CG-SD 3.95Å; Y953-M1066 WeakPolarHBondContact CD2-O 3.5Å; Y953-M1066 HydrophobicContact CE2-CE 4.42Å; A1064-M1066 PolarHBondContact O-N 3.3Å |
| 1067 | V | 83.8 | Confident | 70.4 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.012 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127 | -178.7 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | Y953 V955 C1049 T1053 G1065 M1097 E1098 | Y953-V1067 HydrophobicContact CD2-CG2 4.49Å; Y953-V1067 WeakPolarHBondContact O-CA 3.44Å; V955-V1067 HydrophobicContact CG2-CG1 3.74Å; C1049-V1067 HydrophobicContact CB-CG1 4.4Å; T1053-V1067 HydrophobicContact CG2-CG2 4.1Å; G1065-V1067 VanDerWaalsContact C-N 3.28Å; G1065-V1067 PolarHBondContact O-N 3.06Å; V1067-M1097 HydrophobicContact CB-CG 4.27Å; V1067-M1097 WeakPolarHBondContact O-CA 3.33Å; V1067-E1098 PolarHBondContact O-N 2.74Å; V1067-E1098 VanDerWaalsContact O-N 3.11Å |
| 1068 | T | 89.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.1 | 167.6 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | S951 Y953 L954 V955 L1070 E1098 K1100 F1105 | S951-T1068 WeakPolarHBondContact CB-OG1 3.47Å; S951-T1068 WeakPolarHBondContact OG-CB 3.42Å; S951-T1068 PolarHBondContact OG-N 3.28Å; S951-T1068 PolarHBondContact OG-OG1 3.26Å; Y953-T1068 PolarHBondContact O-N 2.93Å; L954-T1068 WeakPolarHBondContact CA-O 3.38Å; V955-T1068 PolarHBondContact N-O 3.35Å; T1068-L1070 HydrophobicContact CG2-CD2 3.85Å; T1068-E1098 WeakPolarHBondContact CA-O 3.44Å; T1068-E1098 HydrophobicContact CG2-CB 4Å; T1068-E1098 PolarHBondContact OG1-OE2 2.66Å; T1068-K1100 HydrophobicContact CG2-CB 3.96Å; T1068-K1100 HydrophobicContact CG2-CD 4.18Å; T1068-K1100 HydrophobicContact CG2-CG 4.24Å; T1068-F1105 HydrophobicContact CG2-CD2 4.19Å; T1068-F1105 HydrophobicContact CG2-CE2 4.36Å |
| 1069 | I | 89.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.2 | 166.4 | -60.8 | 174.5 | 0 | 0 | 0 | 107.9 | V955 L1042 M1045 V1046 A1092 E1098 L1099 K1100 | V955-I1069 HydrophobicContact CB-CG1 4.41Å; V955-I1069 WeakPolarHBondContact O-CA 3.47Å; L1042-I1069 HydrophobicContact CD1-CG2 4.36Å; M1045-I1069 HydrophobicContact CE-CG2 3.8Å; V1046-I1069 HydrophobicContact CG2-CD1 3.81Å; I1069-A1092 HydrophobicContact CD1-CB 4.45Å; I1069-E1098 PolarHBondContact N-O 2.87Å; I1069-L1099 HydrophobicContact CB-CD1 3.81Å; I1069-L1099 HydrophobicContact CG2-CD1 3.56Å; I1069-K1100 PolarHBondContact O-N 3.15Å |
| 1070 | L | 91 | Very high | 75.3 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.4 | -179.6 | -64 | 178.7 | 0 | 0 | 0 | 110.3 | L954 V955 P956 D957 L971 T1068 K1100 I1102 F1105 | L954-L1070 HydrophobicContact CB-CD1 4.01Å; L954-L1070 HydrophobicContact CD1-CD1 4.12Å; L954-L1070 HydrophobicContact CD2-CD1 4.39Å; L954-L1070 HydrophobicContact CG-CD1 4.4Å; V955-L1070 PolarHBondContact O-N 3.26Å; P956-L1070 CarbonylContact C-O 3.57Å; P956-L1070 WeakPolarHBondContact CA-O 3.49Å; P956-L1070 HydrophobicContact CB-CB 4.47Å; D957-L1070 PolarHBondContact N-O 3.14Å; L971-L1070 HydrophobicContact CD1-CD1 4.27Å; T1068-L1070 HydrophobicContact CG2-CD2 3.85Å; L1070-K1100 WeakPolarHBondContact CA-O 3.33Å; L1070-I1102 HydrophobicContact CB-CB 4.31Å; L1070-I1102 HydrophobicContact CD1-CD1 4.29Å; L1070-I1102 HydrophobicContact CD1-CG1 4.29Å; L1070-F1105 HydrophobicContact CD1-CD1 4.41Å; L1070-F1105 HydrophobicContact CD2-CB 3.68Å; L1070-F1105 HydrophobicContact CD2-CD1 3.93Å; L1070-F1105 HydrophobicContact CD2-CD2 3.98Å; L1070-F1105 HydrophobicContact CD2-CG 3.57Å |
| 1071 | T | 88.8 | Confident | 77 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 152.4 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | D957 H1073 V1075 L1078 L1099 K1100 I1102 | D957-T1071 WeakPolarHBondContact OD2-CA 3.39Å; D957-T1071 WeakPolarHBondContact OD2-CB 3.42Å; D957-T1071 PolarHBondContact OD2-OG1 3.44Å; T1071-H1073 VanDerWaalsContact C-N 3.29Å; T1071-H1073 VanDerWaalsContact CG2-O 3.3Å; T1071-H1073 WeakPolarHBondContact CG2-O 3.42Å; T1071-H1073 PolarHBondContact OG1-N 2.78Å; T1071-V1075 HydrophobicContact CG2-CG2 4.34Å; T1071-L1078 HydrophobicContact CG2-CD1 4.03Å; T1071-L1099 HydrophobicContact CG2-CD1 4.05Å; T1071-L1099 HydrophobicContact CG2-CG 4.46Å; T1071-K1100 PolarHBondContact N-O 3.3Å; T1071-I1102 WeakPolarHBondContact O-CG2 2.99Å; T1071-I1102 PolarHBondContact O-N 3.18Å |
| 1072 | G | 84.3 | Confident | 78.6 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -89.3 | 18.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D957 | D957-G1072 PolarHBondContact OD1-N 2.85Š|
| 1073 | H | 86.1 | Confident | 79.9 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -131.3 | 161.4 | 179.4 | -68.5 | -49.6 | 0 | 0 | 0 | 111 | T1071 L1078 R1081 | T1071-H1073 VanDerWaalsContact C-N 3.29Å; T1071-H1073 VanDerWaalsContact CG2-O 3.3Å; T1071-H1073 WeakPolarHBondContact CG2-O 3.42Å; T1071-H1073 PolarHBondContact OG1-N 2.78Å; H1073-L1078 HydrophobicContact CB-CD1 4.13Å; H1073-L1078 HydrophobicContact CB-CD2 4.06Å; H1073-L1078 HydrophobicContact CB-CG 3.98Å; H1073-R1081 VanDerWaalsContact CG-NH2 3.35Å; H1073-R1081 PolarHBondContact ND1-NH2 3.25Å |
| 1074 | E | 84.3 | Confident | 81 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | trans | -71.4 | 136.7 | 170.9 | -62.9 | -53.3 | 157.5 | 0 | 0 | 111.7 | D1076 E1077 L1078 N1101 | E1074-D1076 PolarHBondContact O-N 3.02Å; E1074-E1077 HydrophobicContact CB-CB 4.17Å; E1074-E1077 HydrophobicContact CB-CG 3.99Å; E1074-E1077 PolarHBondContact O-N 3.19Å; E1074-L1078 WeakPolarHBondContact O-CG 3.48Å; E1074-L1078 PolarHBondContact O-N 3.06Å; E1074-N1101 PolarHBondContact OE1-ND2 3.39Å; E1074-N1101 PolarHBondContact OE2-ND2 3.34Å | ||
| 1075 | V | 82.8 | Confident | 82.1 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -37 | -172.2 | -178 | 0 | 0 | 0 | 0 | 111.4 | T1071 L1078 C1079 T1089 L1099 | T1071-V1075 HydrophobicContact CG2-CG2 4.34Å; V1075-L1078 PolarHBondContact O-N 2.91Å; V1075-C1079 PolarHBondContact O-N 3.37Å; V1075-C1079 VanDerWaalsContact O-N 3.09Å; V1075-C1079 PolarHBondContact O-SG 2.94Å; V1075-T1089 HydrophobicContact CG1-CG2 4.43Å; V1075-L1099 HydrophobicContact CG1-CD2 4.14Å; V1075-L1099 HydrophobicContact CG1-CG 4.39Å; V1075-L1099 HydrophobicContact CG2-CG 4.33Å |
| 1076 | D | 80.6 | Confident | 82.8 | Confident | 141 Ų | 141 | 48.6 Ų | 48.6 | 75% | 0.754 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.4 | -39.2 | 174.1 | -74.8 | -27.8 | 0 | 0 | 0 | 112.3 | E1074 C1079 A1080 | E1074-D1076 PolarHBondContact O-N 3.02Å; D1076-C1079 PolarHBondContact O-N 3.34Å; D1076-A1080 PolarHBondContact O-N 3.42Å |
| 1077 | E | 80.6 | Confident | 83.1 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 173.9 | -75.3 | -167.5 | 167.8 | 0 | 0 | 111.3 | E1074 C1079 A1080 R1081 | E1074-E1077 HydrophobicContact CB-CB 4.17Å; E1074-E1077 HydrophobicContact CB-CG 3.99Å; E1074-E1077 PolarHBondContact O-N 3.19Å; E1077-C1079 VanDerWaalsContact C-N 3.29Å; E1077-C1079 PolarHBondContact O-N 2.98Å; E1077-A1080 PolarHBondContact O-N 3.3Å; E1077-R1081 WeakPolarHBondContact O-CG 3.35Å; E1077-R1081 PolarHBondContact O-N 3.3Å; E1077-R1081 IonicContact OE2-NH2 2.83Å |
| 1078 | L | 77.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.7 | -45.8 | 175.4 | -70.3 | 173 | 0 | 0 | 0 | 110.7 | T1071 H1073 E1074 V1075 A1080 R1081 M1085 | T1071-L1078 HydrophobicContact CG2-CD1 4.03Å; H1073-L1078 HydrophobicContact CB-CD1 4.13Å; H1073-L1078 HydrophobicContact CB-CD2 4.06Å; H1073-L1078 HydrophobicContact CB-CG 3.98Å; E1074-L1078 WeakPolarHBondContact O-CG 3.48Å; E1074-L1078 PolarHBondContact O-N 3.06Å; V1075-L1078 PolarHBondContact O-N 2.91Å; L1078-A1080 PolarHBondContact O-N 3.03Å; L1078-R1081 PolarHBondContact O-N 3.16Å; L1078-M1085 HydrophobicContact CB-CG 4.03Å; L1078-M1085 HydrophobicContact CD2-CE 4.1Å; L1078-M1085 HydrophobicContact CD2-SD 4.41Å; L1078-M1085 WeakPolarHBondContact O-CB 3.49Å; L1078-M1085 WeakPolarHBondContact O-CG 3.3Å |
| 1079 | C | 77 | Confident | 82.8 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -21.8 | 177.3 | -66.9 | 0 | 0 | 0 | 0 | 114 | V1075 D1076 E1077 | V1075-C1079 PolarHBondContact O-N 3.37Å; V1075-C1079 VanDerWaalsContact O-N 3.09Å; V1075-C1079 PolarHBondContact O-SG 2.94Å; D1076-C1079 PolarHBondContact O-N 3.34Å; E1077-C1079 VanDerWaalsContact C-N 3.29Å; E1077-C1079 PolarHBondContact O-N 2.98Å |
| 1080 | A | 77.8 | Confident | 82.5 | Confident | 84 Ų | 84 | 54 Ų | 54 | 69% | 0.694 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -88 | -23.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1076 E1077 L1078 S1082 | D1076-A1080 PolarHBondContact O-N 3.42Å; E1077-A1080 PolarHBondContact O-N 3.3Å; L1078-A1080 PolarHBondContact O-N 3.03Å; A1080-S1082 PolarHBondContact O-N 3.06Å |
| 1081 | R | 78.6 | Confident | 82.2 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | -175.6 | -77.1 | 177.4 | -163.9 | -174.7 | 8.4 | 113.8 | E1038 H1073 E1077 L1078 | E1038-R1081 IonicContact OE2-CZ 3.8Å; E1038-R1081 IonicContact OE2-NH1 3.64Å; E1038-R1081 PolarHBondContact OE2-NH1 3.23Å; H1073-R1081 VanDerWaalsContact CG-NH2 3.35Å; H1073-R1081 PolarHBondContact ND1-NH2 3.25Å; E1077-R1081 WeakPolarHBondContact O-CG 3.35Å; E1077-R1081 PolarHBondContact O-N 3.3Å; E1077-R1081 IonicContact OE2-NH2 2.83Å; L1078-R1081 PolarHBondContact O-N 3.16Å |
| 1082 | S | 82.8 | Confident | 81.9 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | trans | -160.4 | 158.4 | 179.4 | 89 | 0 | 0 | 0 | 0 | 112.9 | D1036 A1080 A1084 M1085 K1086 | D1036-S1082 WeakPolarHBondContact OD2-CB 3.31Å; D1036-S1082 PolarHBondContact OD2-OG 2.85Å; A1080-S1082 PolarHBondContact O-N 3.06Å; S1082-A1084 PolarHBondContact O-N 2.91Å; S1082-A1084 PolarHBondContact OG-N 3.31Å; S1082-A1084 VanDerWaalsContact OG-N 3.17Å; S1082-M1085 PolarHBondContact O-N 3.05Å; S1082-M1085 PolarHBondContact OG-N 3.49Å; S1082-K1086 PolarHBondContact O-N 2.87Å | ||
| 1083 | A | 80.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 74% | 0.736 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.5 | -28.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1087 | A1083-S1087 WeakPolarHBondContact O-CB 3.35Å; A1083-S1087 PolarHBondContact O-N 2.97Å |
| 1084 | A | 80.9 | Confident | 81.6 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.7 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1032 D1036 A1039 S1082 S1087 A1088 | L1032-A1084 HydrophobicContact CD1-CB 3.98Å; L1032-A1084 HydrophobicContact CG-CB 4.44Å; D1036-A1084 HydrophobicContact CB-CB 3.84Å; A1039-A1084 HydrophobicContact CB-CB 3.81Å; S1082-A1084 PolarHBondContact O-N 2.91Å; S1082-A1084 PolarHBondContact OG-N 3.31Å; S1082-A1084 VanDerWaalsContact OG-N 3.17Å; A1084-S1087 PolarHBondContact O-N 3.03Å; A1084-A1088 PolarHBondContact O-N 3.04Å |
| 1085 | M | 82.9 | Confident | 81.3 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 177.5 | -172.6 | 63.2 | 81.9 | 0 | 0 | 111.3 | E1038 A1039 L1042 L1078 S1082 S1087 A1088 T1089 | E1038-M1085 VanDerWaalsContact C-CE 3.45Å; E1038-M1085 HydrophobicContact CB-CE 3.38Å; A1039-M1085 HydrophobicContact CB-CB 4.14Å; A1039-M1085 HydrophobicContact CB-CE 4.32Å; A1039-M1085 HydrophobicContact CB-SD 4.26Å; L1042-M1085 HydrophobicContact CB-SD 4.33Å; L1042-M1085 HydrophobicContact CD2-SD 3.68Å; L1078-M1085 HydrophobicContact CB-CG 4.03Å; L1078-M1085 HydrophobicContact CD2-CE 4.1Å; L1078-M1085 HydrophobicContact CD2-SD 4.41Å; L1078-M1085 WeakPolarHBondContact O-CB 3.49Å; L1078-M1085 WeakPolarHBondContact O-CG 3.3Å; S1082-M1085 PolarHBondContact O-N 3.05Å; S1082-M1085 PolarHBondContact OG-N 3.49Å; M1085-S1087 VanDerWaalsContact C-N 3.27Å; M1085-S1087 PolarHBondContact O-N 3.14Å; M1085-A1088 WeakPolarHBondContact O-CA 3.16Å; M1085-A1088 WeakPolarHBondContact O-CB 3.24Å; M1085-A1088 PolarHBondContact O-N 3.1Å; M1085-T1089 PolarHBondContact O-N 3.3Å; M1085-T1089 PolarHBondContact O-OG1 3.24Å |
| 1086 | K | 82.7 | Confident | 81 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.2 | -40.2 | 173.5 | -171.6 | 168.2 | -178 | 169.4 | 0 | 112.4 | S1082 Q1090 | S1082-K1086 PolarHBondContact O-N 2.87Å; K1086-Q1090 WeakPolarHBondContact O-CB 3.2Å; K1086-Q1090 PolarHBondContact O-N 3.04Å |
| 1087 | S | 83.8 | Confident | 81.2 | Confident | 49 Ų | 49 | 48.9 Ų | 48.9 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.2 | -29.7 | 175.8 | -157.9 | 0 | 0 | 0 | 0 | 112.9 | Y1043 A1083 A1084 M1085 A1091 | Y1043-S1087 WeakPolarHBondContact OH-CB 3.38Å; Y1043-S1087 PolarHBondContact OH-O 3.36Å; Y1043-S1087 VanDerWaalsContact OH-O 3.04Å; Y1043-S1087 PolarHBondContact OH-OG 2.91Å; Y1043-S1087 VanDerWaalsContact OH-OG 3.04Å; A1083-S1087 WeakPolarHBondContact O-CB 3.35Å; A1083-S1087 PolarHBondContact O-N 2.97Å; A1084-S1087 PolarHBondContact O-N 3.03Å; M1085-S1087 VanDerWaalsContact C-N 3.27Å; M1085-S1087 PolarHBondContact O-N 3.14Å; S1087-A1091 WeakPolarHBondContact O-CB 3.33Å; S1087-A1091 PolarHBondContact O-N 3.03Å |
| 1088 | A | 82.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | A1039 L1042 Y1043 A1084 M1085 A1091 A1092 | A1039-A1088 HydrophobicContact CB-CB 4.39Å; L1042-A1088 HydrophobicContact CB-CB 4.2Å; L1042-A1088 HydrophobicContact CD2-CB 3.94Å; L1042-A1088 HydrophobicContact CG-CB 4.12Å; Y1043-A1088 HydrophobicContact CD2-CB 3.52Å; Y1043-A1088 HydrophobicContact CE2-CB 3.56Å; Y1043-A1088 HydrophobicContact CG-CB 4.07Å; A1084-A1088 PolarHBondContact O-N 3.04Å; M1085-A1088 WeakPolarHBondContact O-CA 3.16Å; M1085-A1088 WeakPolarHBondContact O-CB 3.24Å; M1085-A1088 PolarHBondContact O-N 3.1Å; A1088-A1091 WeakPolarHBondContact O-CB 3.47Å; A1088-A1091 PolarHBondContact O-N 3.4Å; A1088-A1092 PolarHBondContact O-N 3.23Å |
| 1089 | T | 84.3 | Confident | 82 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.9 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | V1075 M1085 A1091 A1092 S1093 L1099 | V1075-T1089 HydrophobicContact CG1-CG2 4.43Å; M1085-T1089 PolarHBondContact O-N 3.3Å; M1085-T1089 PolarHBondContact O-OG1 3.24Å; T1089-A1091 PolarHBondContact O-N 3.26Å; T1089-A1092 WeakPolarHBondContact O-CB 3.47Å; T1089-A1092 PolarHBondContact O-N 3.03Å; T1089-S1093 PolarHBondContact O-N 2.93Å; T1089-L1099 HydrophobicContact CG2-CD2 3.8Å |
| 1090 | Q | 83.4 | Confident | 82.5 | Confident | 129 Ų | 129 | 47.9 Ų | 47.9 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.7 | -32 | 176.3 | -169.9 | 179.1 | 9.3 | 0 | 0 | 112.6 | K1086 A1092 S1093 S1094 | K1086-Q1090 WeakPolarHBondContact O-CB 3.2Å; K1086-Q1090 PolarHBondContact O-N 3.04Å; Q1090-A1092 VanDerWaalsContact C-N 3.33Å; Q1090-S1093 PolarHBondContact O-N 3.31Å; Q1090-S1094 PolarHBondContact O-N 3.4Å; Q1090-S1094 PolarHBondContact O-OG 2.79Å |
| 1091 | A | 84.1 | Confident | 83.2 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73 | -20.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1043 V1046 S1087 A1088 T1089 A1095 | Y1043-A1091 HydrophobicContact CD1-CB 4.18Å; Y1043-A1091 HydrophobicContact CE1-CB 3.51Å; V1046-A1091 WeakPolarHBondContact CG1-O 3.28Å; S1087-A1091 WeakPolarHBondContact O-CB 3.33Å; S1087-A1091 PolarHBondContact O-N 3.03Å; A1088-A1091 WeakPolarHBondContact O-CB 3.47Å; A1088-A1091 PolarHBondContact O-N 3.4Å; T1089-A1091 PolarHBondContact O-N 3.26Å; A1091-A1095 WeakPolarHBondContact O-CB 3.42Å; A1091-A1095 PolarHBondContact O-N 3.19Å |
| 1092 | A | 83.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.5 | -48.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1046 I1069 A1088 T1089 Q1090 S1094 A1095 M1097 | V1046-A1092 HydrophobicContact CG2-CB 3.72Å; I1069-A1092 HydrophobicContact CD1-CB 4.45Å; A1088-A1092 PolarHBondContact O-N 3.23Å; T1089-A1092 WeakPolarHBondContact O-CB 3.47Å; T1089-A1092 PolarHBondContact O-N 3.03Å; Q1090-A1092 VanDerWaalsContact C-N 3.33Å; A1092-S1094 PolarHBondContact O-N 3.26Å; A1092-A1095 WeakPolarHBondContact O-CA 3.39Å; A1092-A1095 VanDerWaalsContact O-CB 3.26Å; A1092-A1095 WeakPolarHBondContact O-CB 3.43Å; A1092-A1095 PolarHBondContact O-N 3.41Å; A1092-M1097 CarbonylContact C-O 3.49Å; A1092-M1097 HydrophobicContact CB-CB 4.48Å; A1092-M1097 WeakPolarHBondContact O-CB 3.5Å; A1092-M1097 PolarHBondContact O-N 3.32Å |
| 1093 | S | 81.6 | Confident | 84.1 | Confident | 80 Ų | 80 | 41.2 Ų | 41.2 | 56% | 0.559 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.9 | -43.4 | 176.5 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | T1089 Q1090 A1095 G1096 | T1089-S1093 PolarHBondContact O-N 2.93Å; Q1090-S1093 PolarHBondContact O-N 3.31Å; S1093-A1095 PolarHBondContact O-N 3.18Å; S1093-A1095 VanDerWaalsContact O-N 3.14Å; S1093-G1096 PolarHBondContact O-N 3.09Å; S1093-G1096 VanDerWaalsContact O-N 3.08Å |
| 1094 | S | 80.8 | Confident | 84.4 | Confident | 84 Ų | 84 | 40.9 Ų | 40.9 | 59% | 0.587 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 8.8 | 173.3 | 73.2 | 0 | 0 | 0 | 0 | 114.6 | R1050 Q1090 A1092 | R1050-S1094 VanDerWaalsContact NH2-C 3.26Å; R1050-S1094 PolarHBondContact NH2-O 2.65Å; Q1090-S1094 PolarHBondContact O-N 3.4Å; Q1090-S1094 PolarHBondContact O-OG 2.79Å; A1092-S1094 PolarHBondContact O-N 3.26Å |
| 1095 | A | 77.9 | Confident | 84.8 | Confident | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 5.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1046 R1050 A1091 A1092 S1093 M1097 | V1046-A1095 HydrophobicContact CG1-CB 4.16Å; R1050-A1095 HydrophobicContact CG-CB 4.05Å; R1050-A1095 VanDerWaalsContact NH2-CA 3.31Å; R1050-A1095 VanDerWaalsContact NH2-CB 3.31Å; A1091-A1095 WeakPolarHBondContact O-CB 3.42Å; A1091-A1095 PolarHBondContact O-N 3.19Å; A1092-A1095 WeakPolarHBondContact O-CA 3.39Å; A1092-A1095 VanDerWaalsContact O-CB 3.26Å; A1092-A1095 WeakPolarHBondContact O-CB 3.43Å; A1092-A1095 PolarHBondContact O-N 3.41Å; S1093-A1095 PolarHBondContact O-N 3.18Å; S1093-A1095 VanDerWaalsContact O-N 3.14Å; A1095-M1097 VanDerWaalsContact C-N 3.27Å; A1095-M1097 HydrophobicContact CB-CE 3.66Å; A1095-M1097 HydrophobicContact CB-CG 3.92Å; A1095-M1097 HydrophobicContact CB-SD 3.66Å |
| 1096 | G | 77.1 | Confident | 85 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 17.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1065 S1093 | G1065-G1096 PolarHBondContact N-O 3.17Å; S1093-G1096 PolarHBondContact O-N 3.09Å; S1093-G1096 VanDerWaalsContact O-N 3.08Å |
| 1097 | M | 85.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.034 | 23% | 0.225 | C | C | . | . | trans | -108.7 | 138.5 | -172.8 | -57.3 | 168.4 | -172.1 | 0 | 0 | 111.3 | V1046 C1049 R1050 V1067 A1092 A1095 | V1046-M1097 HydrophobicContact CG1-SD 4.38Å; C1049-M1097 VanDerWaalsContact C-CE 3.45Å; C1049-M1097 HydrophobicContact CB-CE 3.47Å; C1049-M1097 VanDerWaalsContact CB-CE 3.47Å; C1049-M1097 HydrophobicContact CB-SD 3.37Å; C1049-M1097 WeakPolarHBondContact CB-SD 3.38Å; R1050-M1097 HydrophobicContact CB-CE 4.37Å; R1050-M1097 HydrophobicContact CG-CE 3.77Å; V1067-M1097 HydrophobicContact CB-CG 4.27Å; V1067-M1097 WeakPolarHBondContact O-CA 3.33Å; A1092-M1097 CarbonylContact C-O 3.49Å; A1092-M1097 HydrophobicContact CB-CB 4.48Å; A1092-M1097 WeakPolarHBondContact O-CB 3.5Å; A1092-M1097 PolarHBondContact O-N 3.32Å; A1095-M1097 VanDerWaalsContact C-N 3.27Å; A1095-M1097 HydrophobicContact CB-CE 3.66Å; A1095-M1097 HydrophobicContact CB-CG 3.92Å; A1095-M1097 HydrophobicContact CB-SD 3.66Å | ||
| 1098 | E | 85.6 | Confident | 85.2 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 148.2 | 169.7 | -63.2 | -167.4 | 128.4 | 0 | 0 | 111.1 | V1067 T1068 I1069 K1100 | V1067-E1098 PolarHBondContact O-N 2.74Å; V1067-E1098 VanDerWaalsContact O-N 3.11Å; T1068-E1098 WeakPolarHBondContact CA-O 3.44Å; T1068-E1098 HydrophobicContact CG2-CB 4Å; T1068-E1098 PolarHBondContact OG1-OE2 2.66Å; I1069-E1098 PolarHBondContact N-O 2.87Å; E1098-K1100 VanDerWaalsContact CD-CE 3.47Å; E1098-K1100 VanDerWaalsContact OE1-CE 3.25Å; E1098-K1100 WeakPolarHBondContact OE1-CE 3.36Å; E1098-K1100 IonicContact OE1-NZ 3.02Å; E1098-K1100 PolarHBondContact OE1-NZ 3.04Å; E1098-K1100 WeakPolarHBondContact OE2-CE 3.49Å; E1098-K1100 IonicContact OE2-NZ 2.9Å; E1098-K1100 PolarHBondContact OE2-NZ 3.04Å |
| 1099 | L | 88.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 115.4 | 164.9 | 178.5 | 65.6 | 0 | 0 | 0 | 107.4 | L1042 I1069 T1071 V1075 T1089 | L1042-L1099 HydrophobicContact CD1-CD1 4.44Å; L1042-L1099 HydrophobicContact CD2-CD2 4.24Å; I1069-L1099 HydrophobicContact CB-CD1 3.81Å; I1069-L1099 HydrophobicContact CG2-CD1 3.56Å; T1071-L1099 HydrophobicContact CG2-CD1 4.05Å; T1071-L1099 HydrophobicContact CG2-CG 4.46Å; V1075-L1099 HydrophobicContact CG1-CD2 4.14Å; V1075-L1099 HydrophobicContact CG1-CG 4.39Å; V1075-L1099 HydrophobicContact CG2-CG 4.33Å; T1089-L1099 HydrophobicContact CG2-CD2 3.8Å |
| 1100 | K | 89.1 | Confident | 84.9 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.1 | -177.2 | -75.4 | 176.7 | 173.2 | 161.6 | 0 | 111.3 | T1068 I1069 L1070 T1071 E1098 F1105 | T1068-K1100 HydrophobicContact CG2-CB 3.96Å; T1068-K1100 HydrophobicContact CG2-CD 4.18Å; T1068-K1100 HydrophobicContact CG2-CG 4.24Å; I1069-K1100 PolarHBondContact O-N 3.15Å; L1070-K1100 WeakPolarHBondContact CA-O 3.33Å; T1071-K1100 PolarHBondContact N-O 3.3Å; E1098-K1100 VanDerWaalsContact CD-CE 3.47Å; E1098-K1100 VanDerWaalsContact OE1-CE 3.25Å; E1098-K1100 WeakPolarHBondContact OE1-CE 3.36Å; E1098-K1100 IonicContact OE1-NZ 3.02Å; E1098-K1100 PolarHBondContact OE1-NZ 3.04Å; E1098-K1100 WeakPolarHBondContact OE2-CE 3.49Å; E1098-K1100 IonicContact OE2-NZ 2.9Å; E1098-K1100 PolarHBondContact OE2-NZ 3.04Å; K1100-F1105 HydrophobicContact CB-CB 4.38Å; K1100-F1105 HydrophobicContact CD-CD2 4.03Å |
| 1101 | N | 91.6 | Very high | 84.6 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.6 | 168 | -177.5 | -45.4 | 0 | 0 | 0 | 109.1 | E1074 V1103 E1104 F1105 | E1074-N1101 PolarHBondContact OE1-ND2 3.39Å; E1074-N1101 PolarHBondContact OE2-ND2 3.34Å; N1101-V1103 VanDerWaalsContact C-N 3.28Å; N1101-V1103 PolarHBondContact O-N 2.93Å; N1101-V1103 WeakPolarHBondContact OD1-CB 3.44Å; N1101-V1103 PolarHBondContact OD1-N 2.98Å; N1101-E1104 HydrophobicContact CB-CB 4.28Å; N1101-E1104 HydrophobicContact CB-CG 4.02Å; N1101-E1104 PolarHBondContact O-N 3.19Å; N1101-F1105 WeakPolarHBondContact O-CB 3.23Å; N1101-F1105 PolarHBondContact O-N 3.24Å |
| 1102 | I | 90.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -30.1 | -177.1 | -172.4 | 164.3 | 0 | 0 | 0 | 113.8 | A960 H964 L967 I968 L1070 T1071 Y1106 | A960-I1102 HydrophobicContact CB-CB 4.49Å; A960-I1102 HydrophobicContact CB-CD1 4.01Å; A960-I1102 HydrophobicContact CB-CG2 4.27Å; H964-I1102 HydrophobicContact CB-CD1 4.17Å; H964-I1102 HydrophobicContact CB-CG2 3.55Å; H964-I1102 VanDerWaalsContact CG-CG2 3.45Å; L967-I1102 HydrophobicContact CB-CD1 4.33Å; L967-I1102 HydrophobicContact CB-CG1 4.33Å; L967-I1102 HydrophobicContact CD1-CG1 4.36Å; I968-I1102 HydrophobicContact CD1-CD1 3.91Å; I968-I1102 HydrophobicContact CG1-CD1 3.37Å; L1070-I1102 HydrophobicContact CB-CB 4.31Å; L1070-I1102 HydrophobicContact CD1-CD1 4.29Å; L1070-I1102 HydrophobicContact CD1-CG1 4.29Å; T1071-I1102 WeakPolarHBondContact O-CG2 2.99Å; T1071-I1102 PolarHBondContact O-N 3.18Å; I1102-Y1106 WeakPolarHBondContact O-CB 3.46Å; I1102-Y1106 PolarHBondContact O-N 3.17Å |
| 1103 | V | 90.4 | Very high | 82.2 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 42% | 0.418 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.5 | -42.2 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | H964 L967 N1101 R1107 | H964-V1103 VanDerWaalsContact CE1-CG2 3.46Å; H964-V1103 WeakPolarHBondContact CE1-CG2 3.45Å; H964-V1103 WeakPolarHBondContact ND1-CG2 3.44Å; L967-V1103 HydrophobicContact CD1-CG2 4.18Å; N1101-V1103 VanDerWaalsContact C-N 3.28Å; N1101-V1103 PolarHBondContact O-N 2.93Å; N1101-V1103 WeakPolarHBondContact OD1-CB 3.44Å; N1101-V1103 PolarHBondContact OD1-N 2.98Å; V1103-R1107 WeakPolarHBondContact O-CB 3.43Å; V1103-R1107 PolarHBondContact O-N 2.88Å |
| 1104 | E | 87.4 | Confident | 82.2 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.4 | -46.9 | 176.7 | -63.5 | -166.1 | 112.4 | 0 | 0 | 112.3 | N1101 Y1106 R1107 Q1108 | N1101-E1104 HydrophobicContact CB-CB 4.28Å; N1101-E1104 HydrophobicContact CB-CG 4.02Å; N1101-E1104 PolarHBondContact O-N 3.19Å; E1104-Y1106 VanDerWaalsContact C-N 3.29Å; E1104-Y1106 PolarHBondContact O-N 2.91Å; E1104-R1107 WeakPolarHBondContact O-CB 3.24Å; E1104-R1107 PolarHBondContact O-N 2.56Å; E1104-R1107 VanDerWaalsContact O-N 3.13Å; E1104-Q1108 WeakPolarHBondContact O-CG 3.48Å; E1104-Q1108 PolarHBondContact O-N 3.46Å |
| 1105 | F | 88.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 176.5 | -179.4 | -85.8 | 0 | 0 | 0 | 111.4 | M950 L954 L971 F977 T1068 L1070 K1100 N1101 R1107 Q1108 W1109 | M950-F1105 HydrophobicContact CE-CD1 4.31Å; M950-F1105 HydrophobicContact CE-CD2 3.91Å; M950-F1105 HydrophobicContact CE-CE1 3.86Å; M950-F1105 HydrophobicContact CE-CE2 3.43Å; M950-F1105 VanDerWaalsContact CE-CE2 3.43Å; M950-F1105 HydrophobicContact CE-CG 4.32Å; M950-F1105 HydrophobicContact CE-CZ 3.38Å; M950-F1105 HydrophobicContact SD-CD2 4.17Å; M950-F1105 HydrophobicContact SD-CE2 3.62Å; M950-F1105 HydrophobicContact SD-CZ 4.1Å; L954-F1105 HydrophobicContact CD1-CE1 3.64Å; L954-F1105 HydrophobicContact CD1-CZ 3.93Å; L954-F1105 HydrophobicContact CD2-CE1 3.9Å; L954-F1105 HydrophobicContact CD2-CE2 3.9Å; L954-F1105 HydrophobicContact CD2-CZ 3.41Å; L954-F1105 VanDerWaalsContact CD2-CZ 3.41Å; L954-F1105 HydrophobicContact CG-CE1 4.44Å; L954-F1105 HydrophobicContact CG-CZ 4.3Å; L971-F1105 HydrophobicContact CD1-CD1 4.36Å; L971-F1105 HydrophobicContact CD1-CE1 4.48Å; L971-F1105 HydrophobicContact CD2-CE1 4.14Å; F977-F1105 HydrophobicContact CE1-CE1 4.38Å; F977-F1105 AromaticContact CE1-CZ 3.89Å; F977-F1105 HydrophobicContact CE1-CZ 3.89Å; F977-F1105 HydrophobicContact CE2-CE1 4.28Å; F977-F1105 HydrophobicContact CZ-CE1 4.02Å; F977-F1105 AromaticContact CZ-CZ 3.89Å; F977-F1105 HydrophobicContact CZ-CZ 3.89Å; T1068-F1105 HydrophobicContact CG2-CD2 4.19Å; T1068-F1105 HydrophobicContact CG2-CE2 4.36Å; L1070-F1105 HydrophobicContact CD1-CD1 4.41Å; L1070-F1105 HydrophobicContact CD2-CB 3.68Å; L1070-F1105 HydrophobicContact CD2-CD1 3.93Å; L1070-F1105 HydrophobicContact CD2-CD2 3.98Å; L1070-F1105 HydrophobicContact CD2-CG 3.57Å; K1100-F1105 HydrophobicContact CB-CB 4.38Å; K1100-F1105 HydrophobicContact CD-CD2 4.03Å; N1101-F1105 WeakPolarHBondContact O-CB 3.23Å; N1101-F1105 PolarHBondContact O-N 3.24Å; F1105-R1107 VanDerWaalsContact C-N 3.34Å; F1105-Q1108 PolarHBondContact O-N 3.43Å; F1105-W1109 WeakPolarHBondContact O-CB 3.33Å; F1105-W1109 PolarHBondContact O-N 3.48Å |
| 1106 | Y | 87.2 | Confident | 82.5 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 177.1 | -177 | -92.8 | 0 | 0 | 0 | 112.5 | L967 H970 L971 I1102 E1104 W1109 K1110 | L967-Y1106 HydrophobicContact CB-CD2 4.03Å; L967-Y1106 HydrophobicContact CB-CE2 4.47Å; L967-Y1106 HydrophobicContact CB-CG 4.25Å; L967-Y1106 HydrophobicContact CD1-CD1 4.42Å; L967-Y1106 HydrophobicContact CD1-CG 4.2Å; L967-Y1106 HydrophobicContact CD2-CD1 3.73Å; L967-Y1106 HydrophobicContact CD2-CD2 4.17Å; L967-Y1106 HydrophobicContact CD2-CE1 3.75Å; L967-Y1106 HydrophobicContact CD2-CE2 4.19Å; L967-Y1106 HydrophobicContact CD2-CG 3.94Å; L967-Y1106 HydrophobicContact CG-CG 4.35Å; H970-Y1106 HydrophobicContact CB-CE2 3.78Å; H970-Y1106 AromaticContact ND1-CZ 3.82Å; H970-Y1106 PolarHBondContact ND1-OH 3.33Å; L971-Y1106 HydrophobicContact CD1-CD2 4.32Å; L971-Y1106 HydrophobicContact CD2-CD2 4.08Å; L971-Y1106 HydrophobicContact CG-CD2 3.96Å; L971-Y1106 HydrophobicContact CG-CE2 4.5Å; I1102-Y1106 WeakPolarHBondContact O-CB 3.46Å; I1102-Y1106 PolarHBondContact O-N 3.17Å; E1104-Y1106 VanDerWaalsContact C-N 3.29Å; E1104-Y1106 PolarHBondContact O-N 2.91Å; Y1106-W1109 AromaticContact CD2-CE3 3.91Å; Y1106-W1109 HydrophobicContact CD2-CE3 3.91Å; Y1106-W1109 HydrophobicContact CD2-CZ3 4.17Å; Y1106-W1109 AromaticContact CE2-CE3 3.86Å; Y1106-W1109 HydrophobicContact CE2-CE3 3.86Å; Y1106-W1109 AromaticContact CE2-CZ3 3.65Å; Y1106-W1109 HydrophobicContact CE2-CZ3 3.65Å; Y1106-K1110 HydrophobicContact CD1-CD 4.47Å; Y1106-K1110 HydrophobicContact CE1-CD 3.74Å; Y1106-K1110 HydrophobicContact CE1-CG 4.47Å; Y1106-K1110 WeakPolarHBondContact O-CB 3.27Å; Y1106-K1110 PolarHBondContact O-N 3.12Å; Y1106-K1110 VanDerWaalsContact O-N 3.16Å |
| 1107 | R | 87 | Confident | 82.8 | Confident | 121 Ų | 121 | 54.6 Ų | 54.6 | 46% | 0.457 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -51 | 172.8 | -179.1 | -179.9 | 66.8 | 76.3 | 2.7 | 111 | V1103 E1104 F1105 W1109 K1110 E1111 | V1103-R1107 WeakPolarHBondContact O-CB 3.43Å; V1103-R1107 PolarHBondContact O-N 2.88Å; E1104-R1107 WeakPolarHBondContact O-CB 3.24Å; E1104-R1107 PolarHBondContact O-N 2.56Å; E1104-R1107 VanDerWaalsContact O-N 3.13Å; F1105-R1107 VanDerWaalsContact C-N 3.34Å; R1107-W1109 VanDerWaalsContact C-N 3.32Å; R1107-W1109 PolarHBondContact O-N 2.9Å; R1107-K1110 CarbonylContact O-C 3.56Å; R1107-K1110 WeakPolarHBondContact O-CA 3.37Å; R1107-K1110 PolarHBondContact O-N 2.8Å; R1107-E1111 WeakPolarHBondContact CD-OE1 3.47Å; R1107-E1111 WeakPolarHBondContact CG-OE1 3.45Å; R1107-E1111 IonicContact CZ-OE1 2.62Å; R1107-E1111 IonicContact CZ-OE2 3.94Å; R1107-E1111 IonicContact NE-OE1 2.64Å; R1107-E1111 IonicContact NH1-OE1 2.67Å; R1107-E1111 PolarHBondContact NH1-OE1 3.31Å; R1107-E1111 IonicContact NH1-OE2 2.68Å; R1107-E1111 PolarHBondContact NH1-OE2 3.44Å; R1107-E1111 WeakPolarHBondContact O-CG 3.35Å; R1107-E1111 PolarHBondContact O-N 2.88Å |
| 1108 | Q | 82.6 | Confident | 82.7 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -47.2 | 175.9 | -72.4 | 170.7 | -2.6 | 0 | 0 | 111.2 | M950 E1104 F1105 K1110 E1111 I1112 | M950-Q1108 HydrophobicContact CE-CB 4.46Å; E1104-Q1108 WeakPolarHBondContact O-CG 3.48Å; E1104-Q1108 PolarHBondContact O-N 3.46Å; F1105-Q1108 PolarHBondContact O-N 3.43Å; Q1108-K1110 VanDerWaalsContact C-N 3.29Å; Q1108-K1110 PolarHBondContact O-N 2.97Å; Q1108-E1111 PolarHBondContact O-N 3Å; Q1108-E1111 VanDerWaalsContact O-N 3.08Å; Q1108-I1112 WeakPolarHBondContact O-CD1 3.13Å; Q1108-I1112 VanDerWaalsContact O-CG1 3.24Å; Q1108-I1112 WeakPolarHBondContact O-CG1 3.34Å; Q1108-I1112 PolarHBondContact O-N 2.77Å |
| 1109 | W | 82.1 | Confident | 82.5 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 175.5 | 176.4 | 55.3 | 0 | 0 | 0 | 113 | M950 L971 F977 F1105 Y1106 R1107 E1111 I1112 G1113 | M950-W1109 HydrophobicContact CE-CB 3.69Å; L971-W1109 HydrophobicContact CD2-CD2 3.89Å; L971-W1109 HydrophobicContact CD2-CE3 3.63Å; L971-W1109 HydrophobicContact CD2-CG 4.38Å; L971-W1109 HydrophobicContact CD2-CZ3 4.11Å; F977-W1109 AromaticContact CE2-CD1 3.62Å; F977-W1109 HydrophobicContact CE2-CD2 4.08Å; F977-W1109 AromaticContact CE2-CE2 3.94Å; F977-W1109 AromaticContact CE2-CG 3.9Å; F977-W1109 HydrophobicContact CE2-CG 3.9Å; F977-W1109 AromaticContact CE2-NE1 3.61Å; F977-W1109 AromaticContact CZ-CD1 3.6Å; F977-W1109 HydrophobicContact CZ-CG 4.09Å; F977-W1109 AromaticContact CZ-NE1 3.96Å; F1105-W1109 WeakPolarHBondContact O-CB 3.33Å; F1105-W1109 PolarHBondContact O-N 3.48Å; Y1106-W1109 AromaticContact CD2-CE3 3.91Å; Y1106-W1109 HydrophobicContact CD2-CE3 3.91Å; Y1106-W1109 HydrophobicContact CD2-CZ3 4.17Å; Y1106-W1109 AromaticContact CE2-CE3 3.86Å; Y1106-W1109 HydrophobicContact CE2-CE3 3.86Å; Y1106-W1109 AromaticContact CE2-CZ3 3.65Å; Y1106-W1109 HydrophobicContact CE2-CZ3 3.65Å; R1107-W1109 VanDerWaalsContact C-N 3.32Å; R1107-W1109 PolarHBondContact O-N 2.9Å; W1109-E1111 VanDerWaalsContact C-N 3.33Å; W1109-I1112 PolarHBondContact O-N 3.02Å; W1109-G1113 PolarHBondContact O-N 3.44Å |
| 1110 | K | 79.8 | Confident | 82.1 | Confident | 125 Ų | 125 | 59.6 Ų | 59.6 | 54% | 0.543 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.3 | -9.9 | 176.9 | -100.6 | -169.9 | 153.3 | -73.5 | 0 | 115.8 | Y1106 R1107 Q1108 | Y1106-K1110 HydrophobicContact CD1-CD 4.47Å; Y1106-K1110 HydrophobicContact CE1-CD 3.74Å; Y1106-K1110 HydrophobicContact CE1-CG 4.47Å; Y1106-K1110 WeakPolarHBondContact O-CB 3.27Å; Y1106-K1110 PolarHBondContact O-N 3.12Å; Y1106-K1110 VanDerWaalsContact O-N 3.16Å; R1107-K1110 CarbonylContact O-C 3.56Å; R1107-K1110 WeakPolarHBondContact O-CA 3.37Å; R1107-K1110 PolarHBondContact O-N 2.8Å; Q1108-K1110 VanDerWaalsContact C-N 3.29Å; Q1108-K1110 PolarHBondContact O-N 2.97Å |
| 1111 | E | 75.6 | Confident | 81.6 | Confident | 125 Ų | 125 | 60.8 Ų | 60.8 | 58% | 0.584 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -95.5 | -10.4 | 172 | -71.5 | 164.5 | -177.1 | 0 | 0 | 110.9 | R1107 Q1108 W1109 | R1107-E1111 WeakPolarHBondContact CD-OE1 3.47Å; R1107-E1111 WeakPolarHBondContact CG-OE1 3.45Å; R1107-E1111 IonicContact CZ-OE1 2.62Å; R1107-E1111 IonicContact CZ-OE2 3.94Å; R1107-E1111 IonicContact NE-OE1 2.64Å; R1107-E1111 IonicContact NH1-OE1 2.67Å; R1107-E1111 PolarHBondContact NH1-OE1 3.31Å; R1107-E1111 IonicContact NH1-OE2 2.68Å; R1107-E1111 PolarHBondContact NH1-OE2 3.44Å; R1107-E1111 WeakPolarHBondContact O-CG 3.35Å; R1107-E1111 PolarHBondContact O-N 2.88Å; Q1108-E1111 PolarHBondContact O-N 3Å; Q1108-E1111 VanDerWaalsContact O-N 3.08Å; W1109-E1111 VanDerWaalsContact C-N 3.33Å |
| 1112 | I | 64.6 | Low | 80.7 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -102.3 | -18.5 | -178 | -71.1 | 167.2 | 0 | 0 | 0 | 112.4 | A946 Q947 M950 Q1108 W1109 | A946-I1112 HydrophobicContact CB-CG2 3.85Å; Q947-I1112 HydrophobicContact CG-CG2 4.17Å; M950-I1112 HydrophobicContact CG-CD1 4.13Å; Q1108-I1112 WeakPolarHBondContact O-CD1 3.13Å; Q1108-I1112 VanDerWaalsContact O-CG1 3.24Å; Q1108-I1112 WeakPolarHBondContact O-CG1 3.34Å; Q1108-I1112 PolarHBondContact O-N 2.77Å; W1109-I1112 PolarHBondContact O-N 3.02Å |
| 1113 | G | 53.2 | Low | 79.9 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 91% | 0.907 | 37% | 0.371 | S | S | * | . | trans | -169.7 | 0 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | W1109 | W1109-G1113 PolarHBondContact O-N 3.44Š|
Retrieved 1,113 of 1,113 residues in 2236.3 ms
(Link to these results)