| 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 | 45.5 | Very low | 50.6 | Low | 199 Ų | 199 | 120.5 Ų | 120.5 | 98% | 0.98 | 69% | 0.685 | S | S | * | * | 0 | 43.7 | 0 | -81.8 | -179 | 159.2 | 0 | 0 | 111.8 | |||||
| 2 | D | 44.4 | Very low | 53.5 | Low | 140 Ų | 140 | 118.6 Ų | 118.6 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -20.8 | -132.5 | -42.3 | -63.8 | 0 | 0 | 0 | 113.6 | Q4 | D2-Q4 VanDerWaalsContact C-N 3.3Å; D2-Q4 PolarHBondContact O-N 3.48Å |
| 3 | G | 45.9 | Very low | 56.1 | Low | 62 Ų | 62 | 111.5 Ų | 111.5 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.4 | -12.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C5 | G3-C5 PolarHBondContact O-N 3.27Å |
| 4 | Q | 45.6 | Very low | 58.5 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 67% | 0.673 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.9 | -23.9 | -170.5 | -157 | 85.7 | 83.4 | 0 | 0 | 113.9 | D2 | D2-Q4 VanDerWaalsContact C-N 3.3Å; D2-Q4 PolarHBondContact O-N 3.48Å |
| 5 | C | 49.9 | Very low | 60.7 | Low | 63 Ų | 63 | 103 Ų | 103 | 43% | 0.426 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -88.6 | -36.2 | -176.5 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | G3 G7 K8 | G3-C5 PolarHBondContact O-N 3.27Å; C5-G7 VanDerWaalsContact C-N 3.25Å; C5-G7 PolarHBondContact O-N 3.4Å; C5-K8 PolarHBondContact O-N 3.37Å |
| 6 | I | 47.1 | Very low | 62.8 | Low | 150 Ų | 150 | 99.4 Ų | 99.4 | 77% | 0.769 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.2 | -37 | -175.6 | -56.6 | 176.1 | 0 | 0 | 0 | 111.2 | K8 | I6-K8 VanDerWaalsContact C-N 3.32Å; I6-K8 PolarHBondContact O-N 3.38Å |
| 7 | G | 43.9 | Very low | 64.7 | Low | 74 Ų | 74 | 93.5 Ų | 93.5 | 76% | 0.763 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 8.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | C5 | C5-G7 VanDerWaalsContact C-N 3.25Å; C5-G7 PolarHBondContact O-N 3.4Å |
| 8 | K | 51.5 | Low | 66.3 | Low | 136 Ų | 136 | 89.4 Ų | 89.4 | 59% | 0.591 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -2.3 | -173.5 | -69.9 | -176.7 | -179.7 | 173.9 | 0 | 116.2 | C5 I6 L10 | C5-K8 PolarHBondContact O-N 3.37Å; I6-K8 VanDerWaalsContact C-N 3.32Å; I6-K8 PolarHBondContact O-N 3.38Å; K8-L10 HydrophobicContact CB-CD1 4.14Å; K8-L10 HydrophobicContact CB-CD2 4.3Å; K8-L10 HydrophobicContact CB-CG 3.76Å; K8-L10 HydrophobicContact CD-CD1 4.37Å; K8-L10 PolarHBondContact O-N 2.95Å; K8-L10 VanDerWaalsContact O-N 3.13Å |
| 9 | G | 47.6 | Very low | 67.8 | Low | 77 Ų | 77 | 84.8 Ų | 84.8 | 79% | 0.794 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 20.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 10 | L | 62.6 | Low | 69.1 | Low | 63 Ų | 63 | 81 Ų | 81 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 136.9 | -179.1 | -54.4 | -177.1 | 0 | 0 | 0 | 109.6 | K8 M12 | K8-L10 HydrophobicContact CB-CD1 4.14Å; K8-L10 HydrophobicContact CB-CD2 4.3Å; K8-L10 HydrophobicContact CB-CG 3.76Å; K8-L10 HydrophobicContact CD-CD1 4.37Å; K8-L10 PolarHBondContact O-N 2.95Å; K8-L10 VanDerWaalsContact O-N 3.13Å; L10-M12 PolarHBondContact O-N 2.7Å |
| 11 | R | 73.2 | Confident | 70.1 | Confident | 217 Ų | 217 | 79.8 Ų | 79.8 | 82% | 0.819 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 125.2 | 173.9 | -65.8 | -175.6 | -179.2 | -174 | -0.8 | 109.5 | G31 | R11-G31 PolarHBondContact O-N 3.35Š|
| 12 | M | 84.5 | Confident | 72.2 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 149.7 | 163.9 | -60.8 | -59.5 | -73.8 | 0 | 0 | 109 | L10 Q28 I29 | L10-M12 PolarHBondContact O-N 2.7Å; M12-Q28 VanDerWaalsContact CE-C 3.47Å; M12-Q28 HydrophobicContact CE-CB 4.26Å; M12-Q28 VanDerWaalsContact CE-O 3.29Å; M12-Q28 WeakPolarHBondContact CE-O 3.36Å; M12-I29 CarbonylContact C-O 3.49Å; M12-I29 WeakPolarHBondContact CA-O 3.3Å |
| 13 | I | 87.7 | Confident | 74.5 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133 | 177.8 | -62 | -170.2 | 0 | 0 | 0 | 107.6 | V15 I29 G31 L75 F84 | I13-V15 HydrophobicContact CG2-CG2 4.16Å; I13-I29 PolarHBondContact N-O 3.35Å; I13-I29 PolarHBondContact O-N 3.38Å; I13-G31 VanDerWaalsContact CD1-CA 3.46Å; I13-L75 HydrophobicContact CD1-CD1 3.97Å; I13-L75 HydrophobicContact CD1-CD2 3.46Å; I13-L75 VanDerWaalsContact CD1-CD2 3.46Å; I13-L75 HydrophobicContact CD1-CG 3.59Å; I13-F84 HydrophobicContact CD1-CE2 4.34Å; I13-F84 HydrophobicContact CD1-CZ 4.3Å; I13-F84 HydrophobicContact CG2-CD2 3.35Å; I13-F84 HydrophobicContact CG2-CE2 3.49Å; I13-F84 VanDerWaalsContact CG2-CE2 3.49Å; I13-F84 HydrophobicContact CG2-CG 4.03Å; I13-F84 HydrophobicContact CG2-CZ 4.23Å |
| 14 | Q | 89.6 | Confident | 76.8 | Confident | 96 Ų | 96 | 71.8 Ų | 71.8 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.7 | 171.8 | -168.5 | 164.3 | -43.9 | 0 | 0 | 109 | H16 T26 F27 Q28 | Q14-H16 PolarHBondContact NE2-CE1 3.19Å; Q14-H16 VanDerWaalsContact NE2-CE1 3.28Å; Q14-H16 PolarHBondContact NE2-NE2 2.86Å; Q14-H16 VanDerWaalsContact NE2-NE2 3.2Å; Q14-T26 HydrophobicContact CG-CG2 3.44Å; Q14-T26 VanDerWaalsContact CG-CG2 3.44Å; Q14-F27 WeakPolarHBondContact CA-O 3.39Å; Q14-Q28 VanDerWaalsContact OE1-NE2 3.08Å |
| 15 | V | 91.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.4 | -179.1 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | I13 T26 F27 L38 F84 Y86 | I13-V15 HydrophobicContact CG2-CG2 4.16Å; V15-T26 WeakPolarHBondContact O-CA 3.1Å; V15-F27 PolarHBondContact N-O 3.39Å; V15-F27 PolarHBondContact O-N 2.83Å; V15-L38 HydrophobicContact CB-CD1 4.45Å; V15-L38 HydrophobicContact CG1-CD1 3.89Å; V15-L38 HydrophobicContact CG1-CD2 4.03Å; V15-F84 HydrophobicContact CB-CB 4.37Å; V15-F84 HydrophobicContact CG1-CB 4.16Å; V15-F84 WeakPolarHBondContact CG1-O 3.49Å; V15-F84 HydrophobicContact CG2-CB 4.1Å; V15-Y86 HydrophobicContact CG1-CD2 3.55Å; V15-Y86 HydrophobicContact CG1-CE2 3.87Å |
| 16 | H | 94 | Very high | 81.2 | Confident | 45 Ų | 45 | 67 Ų | 67 | 21% | 0.208 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.6 | 179.2 | -65.7 | -79.3 | 0 | 0 | 0 | 109 | Q14 I24 T26 F84 I85 Y86 | Q14-H16 PolarHBondContact NE2-CE1 3.19Å; Q14-H16 VanDerWaalsContact NE2-CE1 3.28Å; Q14-H16 PolarHBondContact NE2-NE2 2.86Å; Q14-H16 VanDerWaalsContact NE2-NE2 3.2Å; H16-I24 HydrophobicContact CB-CG2 4.17Å; H16-T26 PolarHBondContact CE1-OG1 3.38Å; H16-T26 PolarHBondContact ND1-OG1 3.06Å; H16-F84 PolarHBondContact N-O 2.96Å; H16-F84 VanDerWaalsContact O-O 3.13Å; H16-I85 HydrophobicContact CB-CG1 4.48Å; H16-Y86 PolarHBondContact O-N 2.68Å |
| 17 | V | 94.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 109.6 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | H19 H25 F27 L38 V42 L56 Y86 F88 | V17-H19 PolarHBondContact O-N 3.36Å; V17-H25 PolarHBondContact N-O 3.13Å; V17-H25 PolarHBondContact O-N 3.13Å; V17-F27 HydrophobicContact CB-CD2 4.32Å; V17-F27 HydrophobicContact CB-CE2 3.95Å; V17-F27 HydrophobicContact CG2-CD2 3.78Å; V17-F27 HydrophobicContact CG2-CE2 3.77Å; V17-L38 HydrophobicContact CG2-CD1 4.48Å; V17-V42 HydrophobicContact CG1-CG1 4.48Å; V17-V42 HydrophobicContact CG2-CG2 3.94Å; V17-L56 HydrophobicContact CG1-CD2 3.59Å; V17-L56 HydrophobicContact CG2-CD2 4.34Å; V17-Y86 CarbonylContact C-O 3.54Å; V17-Y86 WeakPolarHBondContact CA-O 3.48Å; V17-F88 HydrophobicContact CG1-CB 4.18Å |
| 18 | L | 95.1 | Very high | 85.6 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 121.9 | 169.3 | -171.8 | 71.3 | 0 | 0 | 0 | 108.8 | D22 T23 I24 Y86 R87 F88 | L18-D22 WeakPolarHBondContact CD1-O 3.46Å; L18-T23 WeakPolarHBondContact CA-O 3.15Å; L18-I24 HydrophobicContact CD1-CG1 3.74Å; L18-Y86 PolarHBondContact N-O 3.08Å; L18-R87 HydrophobicContact CB-CB 4.46Å; L18-R87 HydrophobicContact CB-CG 4.35Å; L18-R87 HydrophobicContact CD2-CG 4.39Å; L18-R87 WeakPolarHBondContact O-CA 3.48Å; L18-F88 PolarHBondContact O-N 2.73Å |
| 19 | H | 94.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | trans | -86.5 | 175.4 | 178.2 | -173.1 | -123.8 | 0 | 0 | 0 | 111.5 | V17 D21 D22 T23 F46 F88 L108 | V17-H19 PolarHBondContact O-N 3.36Å; H19-D21 VanDerWaalsContact C-N 3.26Å; H19-D21 WeakPolarHBondContact CB-OD1 3.18Å; H19-D21 IonicContact CE1-OD2 2.66Å; H19-D21 IonicContact CG-OD1 2.64Å; H19-D21 IonicContact ND1-OD1 3.68Å; H19-D21 PolarHBondContact ND1-OD1 2.96Å; H19-D21 IonicContact ND1-OD2 3.16Å; H19-D21 PolarHBondContact ND1-OD2 3.31Å; H19-D21 PolarHBondContact O-N 2.9Å; H19-D22 PolarHBondContact O-N 2.91Å; H19-T23 PolarHBondContact N-O 3.02Å; H19-F46 HydrophobicContact CB-CZ 4.23Å; H19-F46 AromaticContact CD2-CE2 3.48Å; H19-F46 VanDerWaalsContact CD2-CE2 3.48Å; H19-F46 WeakPolarHBondContact CD2-CE2 3.4Å; H19-F46 AromaticContact CD2-CZ 3.45Å; H19-F46 VanDerWaalsContact CD2-CZ 3.45Å; H19-F46 WeakPolarHBondContact CD2-CZ 3.11Å; H19-F46 AromaticContact CG-CZ 3.94Å; H19-F88 AromaticContact CD2-CD1 3.73Å; H19-L108 WeakPolarHBondContact NE2-CD2 3.46Å | ||
| 20 | L | 93.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -12.1 | -174.2 | -78.6 | 168.3 | 0 | 0 | 0 | 113.9 | D22 F54 F88 L108 L111 Q112 | L20-D22 VanDerWaalsContact C-N 3.33Å; L20-F54 HydrophobicContact CD1-CD1 4.34Å; L20-F54 HydrophobicContact CD1-CE1 4.11Å; L20-F88 HydrophobicContact CD1-CD1 3.9Å; L20-F88 HydrophobicContact CD1-CE1 4.09Å; L20-F88 HydrophobicContact CG-CD1 4.12Å; L20-L108 HydrophobicContact CB-CD2 4.49Å; L20-L108 HydrophobicContact CD1-CB 4.2Å; L20-L108 HydrophobicContact CD1-CD2 4.26Å; L20-L111 HydrophobicContact CB-CB 3.91Å; L20-L111 HydrophobicContact CB-CD1 4.03Å; L20-Q112 HydrophobicContact CD2-CB 4.28Å |
| 21 | D | 90.6 | Very high | 90.3 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 15.6 | 170.4 | 55.4 | 17 | 0 | 0 | 0 | 112.7 | H19 T23 L111 | H19-D21 VanDerWaalsContact C-N 3.26Å; H19-D21 WeakPolarHBondContact CB-OD1 3.18Å; H19-D21 IonicContact CE1-OD2 2.66Å; H19-D21 IonicContact CG-OD1 2.64Å; H19-D21 IonicContact ND1-OD1 3.68Å; H19-D21 PolarHBondContact ND1-OD1 2.96Å; H19-D21 IonicContact ND1-OD2 3.16Å; H19-D21 PolarHBondContact ND1-OD2 3.31Å; H19-D21 PolarHBondContact O-N 2.9Å; D21-T23 PolarHBondContact O-N 3.03Å; D21-T23 VanDerWaalsContact OD1-CB 3.31Å; D21-T23 WeakPolarHBondContact OD1-CB 3.43Å; D21-T23 WeakPolarHBondContact OD1-CG2 3.28Å; D21-T23 PolarHBondContact OD1-N 3.38Å; D21-T23 PolarHBondContact OD1-OG1 3.39Å; D21-L111 HydrophobicContact CB-CD1 4.18Å |
| 22 | D | 88.6 | Confident | 90.8 | Very high | 89 Ų | 89 | 45 Ų | 45 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 60.1 | 13.9 | -173.8 | -59.6 | -38.3 | 0 | 0 | 0 | 115.1 | L18 H19 L20 R115 | L18-D22 WeakPolarHBondContact CD1-O 3.46Å; H19-D22 PolarHBondContact O-N 2.91Å; L20-D22 VanDerWaalsContact C-N 3.33Å; D22-R115 IonicContact OD1-CZ 2.71Å; D22-R115 IonicContact OD1-NH1 3.96Å; D22-R115 PolarHBondContact OD1-NH1 3.25Å |
| 23 | T | 92.7 | Very high | 91 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | trans | -77.4 | 147.3 | 171.9 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | L18 H19 D21 H25 | L18-T23 WeakPolarHBondContact CA-O 3.15Å; H19-T23 PolarHBondContact N-O 3.02Å; D21-T23 PolarHBondContact O-N 3.03Å; D21-T23 VanDerWaalsContact OD1-CB 3.31Å; D21-T23 WeakPolarHBondContact OD1-CB 3.43Å; D21-T23 WeakPolarHBondContact OD1-CG2 3.28Å; D21-T23 PolarHBondContact OD1-N 3.38Å; D21-T23 PolarHBondContact OD1-OG1 3.39Å; T23-H25 PolarHBondContact OG1-NE2 3.01Å | ||
| 24 | I | 94.5 | Very high | 91.2 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 43% | 0.431 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 107.1 | -177.8 | -58.2 | 174.2 | 0 | 0 | 0 | 110.3 | H16 L18 | H16-I24 HydrophobicContact CB-CG2 4.17Å; L18-I24 HydrophobicContact CD1-CG1 3.74Å |
| 25 | H | 93.6 | Very high | 91.3 | Very high | 51 Ų | 51 | 37.7 Ų | 37.7 | 24% | 0.236 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.3 | 172.8 | -64.5 | -79.6 | 0 | 0 | 0 | 111.1 | V17 T23 F27 F46 | V17-H25 PolarHBondContact N-O 3.13Å; V17-H25 PolarHBondContact O-N 3.13Å; T23-H25 PolarHBondContact OG1-NE2 3.01Å; H25-F27 HydrophobicContact CB-CD2 4.4Å; H25-F27 HydrophobicContact CB-CE2 3.58Å; H25-F27 HydrophobicContact CB-CZ 4.17Å; H25-F46 AromaticContact CD2-CE1 3.5Å; H25-F46 AromaticContact CD2-CZ 3.65Å; H25-F46 AromaticContact CG-CE1 3.97Å; H25-F46 AromaticContact NE2-CE1 3.55Å |
| 26 | T | 94.4 | Very high | 91.4 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.7 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | Q14 V15 H16 R45 | Q14-T26 HydrophobicContact CG-CG2 3.44Å; Q14-T26 VanDerWaalsContact CG-CG2 3.44Å; V15-T26 WeakPolarHBondContact O-CA 3.1Å; H16-T26 PolarHBondContact CE1-OG1 3.38Å; H16-T26 PolarHBondContact ND1-OG1 3.06Å; T26-R45 PolarHBondContact O-NH2 2.87Å |
| 27 | F | 92.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 2% | 0.022 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.8 | -179.2 | -63.7 | -97.2 | 0 | 0 | 0 | 110.1 | Q14 V15 V17 H25 I29 T41 V42 R45 | Q14-F27 WeakPolarHBondContact CA-O 3.39Å; V15-F27 PolarHBondContact N-O 3.39Å; V15-F27 PolarHBondContact O-N 2.83Å; V17-F27 HydrophobicContact CB-CD2 4.32Å; V17-F27 HydrophobicContact CB-CE2 3.95Å; V17-F27 HydrophobicContact CG2-CD2 3.78Å; V17-F27 HydrophobicContact CG2-CE2 3.77Å; H25-F27 HydrophobicContact CB-CD2 4.4Å; H25-F27 HydrophobicContact CB-CE2 3.58Å; H25-F27 HydrophobicContact CB-CZ 4.17Å; F27-I29 HydrophobicContact CB-CD1 4.13Å; F27-I29 HydrophobicContact CB-CG1 4.39Å; F27-T41 HydrophobicContact CD1-CG2 3.69Å; F27-T41 HydrophobicContact CE1-CG2 3.98Å; F27-V42 HydrophobicContact CD2-CG2 4.32Å; F27-V42 HydrophobicContact CE1-CG2 4.03Å; F27-V42 HydrophobicContact CE2-CG2 3.77Å; F27-V42 HydrophobicContact CZ-CB 4.19Å; F27-V42 HydrophobicContact CZ-CG2 3.59Å; F27-R45 HydrophobicContact CE1-CB 4.06Å; F27-R45 HydrophobicContact CZ-CB 4.16Å; F27-R45 HydrophobicContact CZ-CG 4.45Å |
| 28 | Q | 91.7 | Very high | 91.3 | Very high | 107 Ų | 107 | 44.9 Ų | 44.9 | 50% | 0.5 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 109.7 | 175.6 | -69.4 | -68.6 | -10.4 | 0 | 0 | 108.4 | M12 Q14 | M12-Q28 VanDerWaalsContact CE-C 3.47Å; M12-Q28 HydrophobicContact CE-CB 4.26Å; M12-Q28 VanDerWaalsContact CE-O 3.29Å; M12-Q28 WeakPolarHBondContact CE-O 3.36Å; Q14-Q28 VanDerWaalsContact OE1-NE2 3.08Å |
| 29 | I | 89.8 | Confident | 91.2 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152.7 | -170.9 | -68.7 | 175.5 | 0 | 0 | 0 | 109.6 | M12 I13 F27 L38 I74 | M12-I29 CarbonylContact C-O 3.49Å; M12-I29 WeakPolarHBondContact CA-O 3.3Å; I13-I29 PolarHBondContact N-O 3.35Å; I13-I29 PolarHBondContact O-N 3.38Å; F27-I29 HydrophobicContact CB-CD1 4.13Å; F27-I29 HydrophobicContact CB-CG1 4.39Å; I29-L38 HydrophobicContact CD1-CB 3.94Å; I29-L38 HydrophobicContact CD1-CD1 3.58Å; I29-L38 HydrophobicContact CD1-CG 4.36Å; I29-I74 HydrophobicContact CB-CD1 4.48Å; I29-I74 HydrophobicContact CG2-CD1 3.73Å |
| 30 | S | 87.6 | Confident | 91.2 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 8% | 0.077 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 142 | 179.9 | 93.3 | 0 | 0 | 0 | 0 | 111.1 | H32 S33 | S30-H32 PolarHBondContact O-N 3.47Å; S30-H32 PolarHBondContact OG-N 3.28Å; S30-S33 VanDerWaalsContact O-CB 3.26Å; S30-S33 WeakPolarHBondContact O-CB 3.49Å; S30-S33 PolarHBondContact O-N 3.17Å; S30-S33 PolarHBondContact O-OG 2.93Å; S30-S33 PolarHBondContact OG-N 3.13Å; S30-S33 VanDerWaalsContact OG-N 3.12Å; S30-S33 PolarHBondContact OG-OG 3Å |
| 31 | G | 81.6 | Confident | 91.3 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R11 I13 L75 | R11-G31 PolarHBondContact O-N 3.35Å; I13-G31 VanDerWaalsContact CD1-CA 3.46Å; G31-L75 VanDerWaalsContact O-CD1 3.3Å; G31-L75 WeakPolarHBondContact O-CD1 3.4Å; G31-L75 VanDerWaalsContact O-CG 3.31Å; G31-L75 WeakPolarHBondContact O-CG 3.43Å |
| 32 | H | 84.4 | Confident | 91.5 | Very high | 118 Ų | 118 | 47.6 Ų | 47.6 | 55% | 0.546 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.9 | 177.1 | -61.3 | -78 | 0 | 0 | 0 | 113.7 | S30 T73 | S30-H32 PolarHBondContact O-N 3.47Å; S30-H32 PolarHBondContact OG-N 3.28Å; H32-T73 WeakPolarHBondContact O-CG2 3.41Å |
| 33 | S | 89.1 | Confident | 91.7 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | trans | -67 | 143.6 | 177.4 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | S30 E37 T73 I74 | S30-S33 VanDerWaalsContact O-CB 3.26Å; S30-S33 WeakPolarHBondContact O-CB 3.49Å; S30-S33 PolarHBondContact O-N 3.17Å; S30-S33 PolarHBondContact O-OG 2.93Å; S30-S33 PolarHBondContact OG-N 3.13Å; S30-S33 VanDerWaalsContact OG-N 3.12Å; S30-S33 PolarHBondContact OG-OG 3Å; S33-E37 WeakPolarHBondContact CA-OE1 3.49Å; S33-E37 WeakPolarHBondContact CA-OE2 3.47Å; S33-E37 WeakPolarHBondContact CB-OE2 3.29Å; S33-E37 PolarHBondContact OG-OE2 3.05Å; S33-T73 WeakPolarHBondContact O-CA 3.07Å; S33-I74 PolarHBondContact O-N 2.85Å; S33-I74 VanDerWaalsContact O-N 3.13Å | ||
| 34 | L | 91.9 | Very high | 91.7 | Very high | 61 Ų | 61 | 46.3 Ų | 46.3 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -70.6 | 157.4 | 174.6 | -65.5 | 176.6 | 0 | 0 | 0 | 111.7 | E36 E37 L38 T73 | L34-E36 HydrophobicContact CB-CB 4.36Å; L34-E36 PolarHBondContact O-N 2.81Å; L34-E37 HydrophobicContact CB-CG 4.48Å; L34-E37 PolarHBondContact N-OE1 2.91Å; L34-E37 WeakPolarHBondContact O-CB 3.31Å; L34-E37 PolarHBondContact O-N 3.31Å; L34-L38 PolarHBondContact O-N 3.39Å; L34-T73 HydrophobicContact CD2-CG2 4.16Å |
| 35 | G | 91.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -30.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E37 L38 F39 L68 H70 K72 | G35-E37 VanDerWaalsContact C-N 3.31Å; G35-E37 PolarHBondContact O-N 3.19Å; G35-L38 PolarHBondContact O-N 3.33Å; G35-F39 WeakPolarHBondContact O-CB 2.97Å; G35-F39 PolarHBondContact O-N 3.02Å; G35-L68 WeakPolarHBondContact O-CD2 3.2Å; G35-H70 PolarHBondContact N-O 3.35Å; G35-K72 PolarHBondContact N-O 2.92Å |
| 36 | E | 92.9 | Very high | 91.5 | Very high | 108 Ų | 108 | 47 Ų | 47 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.5 | -39.7 | 171.7 | -167.5 | 176.5 | 169.3 | 0 | 0 | 112.6 | L34 A40 H70 | L34-E36 HydrophobicContact CB-CB 4.36Å; L34-E36 PolarHBondContact O-N 2.81Å; E36-A40 VanDerWaalsContact O-CB 3.24Å; E36-A40 WeakPolarHBondContact O-CB 3.31Å; E36-A40 PolarHBondContact O-N 2.84Å; E36-H70 HydrophobicContact CB-CB 4.2Å; E36-H70 PolarHBondContact N-O 3.14Å |
| 37 | E | 92.8 | Very high | 91.3 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 178.6 | -65.7 | 166.4 | -122.3 | 0 | 0 | 111.6 | S33 L34 G35 T41 | S33-E37 WeakPolarHBondContact CA-OE1 3.49Å; S33-E37 WeakPolarHBondContact CA-OE2 3.47Å; S33-E37 WeakPolarHBondContact CB-OE2 3.29Å; S33-E37 PolarHBondContact OG-OE2 3.05Å; L34-E37 HydrophobicContact CB-CG 4.48Å; L34-E37 PolarHBondContact N-OE1 2.91Å; L34-E37 WeakPolarHBondContact O-CB 3.31Å; L34-E37 PolarHBondContact O-N 3.31Å; G35-E37 VanDerWaalsContact C-N 3.31Å; G35-E37 PolarHBondContact O-N 3.19Å; E37-T41 WeakPolarHBondContact O-CB 3.42Å; E37-T41 PolarHBondContact O-N 2.91Å; E37-T41 PolarHBondContact O-OG1 3.2Å |
| 38 | L | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 173.6 | 167.3 | 62.1 | 0 | 0 | 0 | 111 | V15 V17 I29 L34 G35 A40 T41 V42 L56 L68 I74 Y86 | V15-L38 HydrophobicContact CB-CD1 4.45Å; V15-L38 HydrophobicContact CG1-CD1 3.89Å; V15-L38 HydrophobicContact CG1-CD2 4.03Å; V17-L38 HydrophobicContact CG2-CD1 4.48Å; I29-L38 HydrophobicContact CD1-CB 3.94Å; I29-L38 HydrophobicContact CD1-CD1 3.58Å; I29-L38 HydrophobicContact CD1-CG 4.36Å; L34-L38 PolarHBondContact O-N 3.39Å; G35-L38 PolarHBondContact O-N 3.33Å; L38-A40 PolarHBondContact O-N 2.9Å; L38-T41 PolarHBondContact O-N 3.44Å; L38-V42 HydrophobicContact CD1-CG2 4.06Å; L38-V42 WeakPolarHBondContact O-CG2 3.16Å; L38-V42 PolarHBondContact O-N 2.97Å; L38-L56 HydrophobicContact CD1-CD1 4.37Å; L38-L56 HydrophobicContact CD2-CD1 4Å; L38-L56 HydrophobicContact CG-CD1 3.73Å; L38-L68 HydrophobicContact CD2-CD2 3.97Å; L38-L68 HydrophobicContact CG-CD2 4.33Å; L38-I74 HydrophobicContact CB-CD1 4.01Å; L38-I74 HydrophobicContact CD2-CD1 4.21Å; L38-I74 HydrophobicContact CD2-CG1 4.36Å; L38-Y86 HydrophobicContact CD2-CD2 3.93Å; L38-Y86 HydrophobicContact CD2-CE2 3.74Å; L38-Y86 HydrophobicContact CD2-CG 4.44Å |
| 39 | F | 94.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | -179.9 | -174.5 | -114.3 | 0 | 0 | 0 | 111.9 | G35 T41 V42 V43 F54 L56 L68 H70 F88 | G35-F39 WeakPolarHBondContact O-CB 2.97Å; G35-F39 PolarHBondContact O-N 3.02Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.15Å; F39-V42 PolarHBondContact O-N 3.2Å; F39-V43 HydrophobicContact CD1-CG2 4.22Å; F39-V43 HydrophobicContact CD2-CG2 4.33Å; F39-V43 HydrophobicContact CE1-CG2 3.86Å; F39-V43 HydrophobicContact CE2-CG2 3.97Å; F39-V43 HydrophobicContact CG-CG2 4.45Å; F39-V43 HydrophobicContact CZ-CG2 3.72Å; F39-V43 VanDerWaalsContact O-CG2 3.32Å; F39-V43 WeakPolarHBondContact O-CG2 3.4Å; F39-V43 PolarHBondContact O-N 3.28Å; F39-F54 VanDerWaalsContact CZ-O 3.27Å; F39-F54 WeakPolarHBondContact CZ-O 3.1Å; F39-L56 HydrophobicContact CB-CD1 4.49Å; F39-L56 HydrophobicContact CD2-CD1 4.23Å; F39-L56 HydrophobicContact CD2-CG 4.2Å; F39-L68 HydrophobicContact CB-CD2 4.48Å; F39-H70 AromaticContact CD1-CE1 3.94Å; F39-F88 HydrophobicContact CE2-CE2 4.43Å |
| 40 | A | 94 | Very high | 91.4 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E36 L38 V43 D44 | E36-A40 VanDerWaalsContact O-CB 3.24Å; E36-A40 WeakPolarHBondContact O-CB 3.31Å; E36-A40 PolarHBondContact O-N 2.84Å; L38-A40 PolarHBondContact O-N 2.9Å; A40-V43 PolarHBondContact O-N 3.33Å; A40-D44 PolarHBondContact O-N 3.43Å |
| 41 | T | 94.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.8 | -35.8 | 177.1 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | F27 E37 L38 F39 R45 | F27-T41 HydrophobicContact CD1-CG2 3.69Å; F27-T41 HydrophobicContact CE1-CG2 3.98Å; E37-T41 WeakPolarHBondContact O-CB 3.42Å; E37-T41 PolarHBondContact O-N 2.91Å; E37-T41 PolarHBondContact O-OG1 3.2Å; L38-T41 PolarHBondContact O-N 3.44Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.15Å; T41-R45 PolarHBondContact O-N 3.41Å |
| 42 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.9 | -47.8 | 173.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | V17 F27 L38 F39 D44 R45 F46 L56 F88 | V17-V42 HydrophobicContact CG1-CG1 4.48Å; V17-V42 HydrophobicContact CG2-CG2 3.94Å; F27-V42 HydrophobicContact CD2-CG2 4.32Å; F27-V42 HydrophobicContact CE1-CG2 4.03Å; F27-V42 HydrophobicContact CE2-CG2 3.77Å; F27-V42 HydrophobicContact CZ-CB 4.19Å; F27-V42 HydrophobicContact CZ-CG2 3.59Å; L38-V42 HydrophobicContact CD1-CG2 4.06Å; L38-V42 WeakPolarHBondContact O-CG2 3.16Å; L38-V42 PolarHBondContact O-N 2.97Å; F39-V42 PolarHBondContact O-N 3.2Å; V42-D44 PolarHBondContact O-N 2.7Å; V42-R45 PolarHBondContact O-N 3.01Å; V42-F46 HydrophobicContact CG1-CD2 3.65Å; V42-F46 HydrophobicContact CG1-CE2 3.31Å; V42-F46 HydrophobicContact CG1-CZ 4.07Å; V42-F46 WeakPolarHBondContact O-CG 3.32Å; V42-F46 PolarHBondContact O-N 3.27Å; V42-L56 HydrophobicContact CG2-CD1 4.15Å; V42-F88 HydrophobicContact CG1-CD2 4.14Å; V42-F88 HydrophobicContact CG1-CE2 4.48Å |
| 43 | V | 94.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.1 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | F39 A40 F46 R47 A51 | F39-V43 HydrophobicContact CD1-CG2 4.22Å; F39-V43 HydrophobicContact CD2-CG2 4.33Å; F39-V43 HydrophobicContact CE1-CG2 3.86Å; F39-V43 HydrophobicContact CE2-CG2 3.97Å; F39-V43 HydrophobicContact CG-CG2 4.45Å; F39-V43 HydrophobicContact CZ-CG2 3.72Å; F39-V43 VanDerWaalsContact O-CG2 3.32Å; F39-V43 WeakPolarHBondContact O-CG2 3.4Å; F39-V43 PolarHBondContact O-N 3.28Å; A40-V43 PolarHBondContact O-N 3.33Å; V43-F46 CarbonylContact O-C 3.57Å; V43-F46 PolarHBondContact O-N 3.27Å; V43-R47 PolarHBondContact O-N 3.05Å; V43-A51 HydrophobicContact CB-CB 4.39Å; V43-A51 HydrophobicContact CG1-CB 3.67Å; V43-A51 HydrophobicContact CG2-CB 3.73Å |
| 44 | D | 92.9 | Very high | 93.2 | Very high | 97 Ų | 97 | 41.5 Ų | 41.5 | 52% | 0.519 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 176.7 | -167.9 | 60.9 | 0 | 0 | 0 | 112.5 | A40 V42 F46 R47 | A40-D44 PolarHBondContact O-N 3.43Å; V42-D44 PolarHBondContact O-N 2.7Å; D44-F46 VanDerWaalsContact C-N 3.3Å; D44-F46 PolarHBondContact O-N 3.25Å; D44-R47 WeakPolarHBondContact O-CD 3.34Å; D44-R47 PolarHBondContact O-N 3.45Å; D44-R47 PolarHBondContact O-NH1 3.32Å; D44-R47 IonicContact OD1-CZ 2.65Å; D44-R47 IonicContact OD1-NH1 2.97Å; D44-R47 PolarHBondContact OD1-NH1 2.65Å; D44-R47 IonicContact OD2-NH1 2.7Å; D44-R47 PolarHBondContact OD2-NH1 3.29Å |
| 45 | R | 91.6 | Very high | 93.4 | Very high | 133 Ų | 133 | 38.7 Ų | 38.7 | 50% | 0.502 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 173.7 | -175.3 | -175.8 | -69.3 | -84.6 | 7.9 | 111.4 | T26 F27 T41 V42 | T26-R45 PolarHBondContact O-NH2 2.87Å; F27-R45 HydrophobicContact CE1-CB 4.06Å; F27-R45 HydrophobicContact CZ-CB 4.16Å; F27-R45 HydrophobicContact CZ-CG 4.45Å; T41-R45 PolarHBondContact O-N 3.41Å; V42-R45 PolarHBondContact O-N 3.01Å |
| 46 | F | 91.1 | Very high | 93.6 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -86.4 | -4.2 | 179.5 | -58.7 | -25.9 | 0 | 0 | 0 | 114 | H19 H25 V42 V43 D44 L48 F88 Y104 | H19-F46 HydrophobicContact CB-CZ 4.23Å; H19-F46 AromaticContact CD2-CE2 3.48Å; H19-F46 VanDerWaalsContact CD2-CE2 3.48Å; H19-F46 WeakPolarHBondContact CD2-CE2 3.4Å; H19-F46 AromaticContact CD2-CZ 3.45Å; H19-F46 VanDerWaalsContact CD2-CZ 3.45Å; H19-F46 WeakPolarHBondContact CD2-CZ 3.11Å; H19-F46 AromaticContact CG-CZ 3.94Å; H25-F46 AromaticContact CD2-CE1 3.5Å; H25-F46 AromaticContact CD2-CZ 3.65Å; H25-F46 AromaticContact CG-CE1 3.97Å; H25-F46 AromaticContact NE2-CE1 3.55Å; V42-F46 HydrophobicContact CG1-CD2 3.65Å; V42-F46 HydrophobicContact CG1-CE2 3.31Å; V42-F46 HydrophobicContact CG1-CZ 4.07Å; V42-F46 WeakPolarHBondContact O-CG 3.32Å; V42-F46 PolarHBondContact O-N 3.27Å; V43-F46 CarbonylContact O-C 3.57Å; V43-F46 PolarHBondContact O-N 3.27Å; D44-F46 VanDerWaalsContact C-N 3.3Å; D44-F46 PolarHBondContact O-N 3.25Å; F46-L48 PolarHBondContact O-N 3.05Å; F46-F88 HydrophobicContact CD2-CD2 4.47Å; F46-F88 HydrophobicContact CD2-CE1 4.42Å; F46-F88 HydrophobicContact CD2-CE2 4.32Å; F46-F88 HydrophobicContact CD2-CZ 4.29Å; F46-F88 HydrophobicContact CE2-CB 4.47Å; F46-F88 HydrophobicContact CE2-CD1 4.24Å; F46-F88 HydrophobicContact CE2-CD2 4.14Å; F46-F88 HydrophobicContact CE2-CE2 4.44Å; F46-F88 HydrophobicContact CE2-CG 4.03Å; F46-Y104 HydrophobicContact CB-CE1 4.4Å; F46-Y104 VanDerWaalsContact O-CE1 3.27Å; F46-Y104 WeakPolarHBondContact O-CE1 3.46Å |
| 47 | R | 90.8 | Very high | 93.6 | Very high | 159 Ų | 159 | 34.6 Ų | 34.6 | 60% | 0.6 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 5 | -179.8 | -62.8 | -63.6 | -171.2 | -147.4 | -2.9 | 117 | V43 D44 L49 R331 | V43-R47 PolarHBondContact O-N 3.05Å; D44-R47 WeakPolarHBondContact O-CD 3.34Å; D44-R47 PolarHBondContact O-N 3.45Å; D44-R47 PolarHBondContact O-NH1 3.32Å; D44-R47 IonicContact OD1-CZ 2.65Å; D44-R47 IonicContact OD1-NH1 2.97Å; D44-R47 PolarHBondContact OD1-NH1 2.65Å; D44-R47 IonicContact OD2-NH1 2.7Å; D44-R47 PolarHBondContact OD2-NH1 3.29Å; R47-L49 PolarHBondContact O-N 3.39Å; R47-R331 PolarHBondContact O-NE 3.32Å; R47-R331 PolarHBondContact O-NH2 2.97Å |
| 48 | L | 91.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | trans | -55.7 | 127.3 | -172.8 | -177.5 | 62 | 0 | 0 | 0 | 112.7 | F46 A51 F54 F88 Y104 L108 | F46-L48 PolarHBondContact O-N 3.05Å; L48-A51 HydrophobicContact CD2-CB 4.36Å; L48-A51 HydrophobicContact CG-CB 4.45Å; L48-F54 HydrophobicContact CD1-CE2 4.41Å; L48-F54 HydrophobicContact CD2-CD2 3.62Å; L48-F54 HydrophobicContact CD2-CE2 3.79Å; L48-F54 HydrophobicContact CD2-CG 4.3Å; L48-F88 HydrophobicContact CD2-CZ 3.94Å; L48-Y104 HydrophobicContact CD1-CD1 4.09Å; L48-Y104 HydrophobicContact CD1-CE1 4.49Å; L48-L108 HydrophobicContact CD1-CD1 3.96Å; L48-L108 HydrophobicContact CD2-CD1 4.16Å | ||
| 49 | L | 91 | Very high | 93.3 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -77.5 | -44.5 | 175.1 | -177.7 | 59.8 | 0 | 0 | 0 | 111.3 | R47 A51 E102 Y323 V324 N327 | R47-L49 PolarHBondContact O-N 3.39Å; L49-A51 PolarHBondContact O-N 3.24Å; L49-A51 VanDerWaalsContact O-N 3.14Å; L49-E102 WeakPolarHBondContact CB-OE2 3.31Å; L49-E102 PolarHBondContact N-OE2 2.8Å; L49-Y323 HydrophobicContact CD1-CD1 4.05Å; L49-Y323 HydrophobicContact CD1-CE1 3.46Å; L49-Y323 VanDerWaalsContact CD1-CE1 3.46Å; L49-Y323 HydrophobicContact CG-CE1 4.5Å; L49-V324 HydrophobicContact CD2-CB 4.24Å; L49-V324 HydrophobicContact CD2-CG1 3.82Å; L49-V324 HydrophobicContact CD2-CG2 4.21Å; L49-V324 HydrophobicContact CG-CG2 4.09Å; L49-N327 HydrophobicContact CD1-CB 3.73Å |
| 50 | E | 93.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | trans | -90.3 | 39.9 | -169.6 | -58.7 | -173.7 | 81.5 | 0 | 0 | 113.1 | D52 Y53 E101 E102 T105 V324 | E50-D52 VanDerWaalsContact C-N 3.32Å; E50-D52 PolarHBondContact O-N 3.33Å; E50-Y53 HydrophobicContact CB-CD2 3.91Å; E50-Y53 HydrophobicContact CB-CE2 4.04Å; E50-Y53 WeakPolarHBondContact O-CD2 3.2Å; E50-Y53 PolarHBondContact O-N 3.11Å; E50-E101 PolarHBondContact OE2-N 3.14Å; E50-E102 WeakPolarHBondContact OE2-CB 3.42Å; E50-E102 PolarHBondContact OE2-N 3.19Å; E50-T105 HydrophobicContact CB-CG2 3.9Å; E50-T105 HydrophobicContact CG-CG2 4.46Å; E50-T105 WeakPolarHBondContact OE2-CB 3.36Å; E50-T105 PolarHBondContact OE2-OG1 2.84Å; E50-V324 HydrophobicContact CG-CG2 3.73Å | ||
| 51 | A | 94 | Very high | 92.1 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -60.7 | -30.7 | -165 | 0 | 0 | 0 | 0 | 0 | 115.5 | V43 L48 L49 Y53 F54 | V43-A51 HydrophobicContact CB-CB 4.39Å; V43-A51 HydrophobicContact CG1-CB 3.67Å; V43-A51 HydrophobicContact CG2-CB 3.73Å; L48-A51 HydrophobicContact CD2-CB 4.36Å; L48-A51 HydrophobicContact CG-CB 4.45Å; L49-A51 PolarHBondContact O-N 3.24Å; L49-A51 VanDerWaalsContact O-N 3.14Å; A51-Y53 PolarHBondContact O-N 2.87Å; A51-F54 PolarHBondContact O-N 3.35Å |
| 52 | D | 94.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -68 | -17.6 | -172.9 | -55.6 | -112.8 | 0 | 0 | 0 | 113.9 | E50 F54 F92 F287 G314 R315 L320 | E50-D52 VanDerWaalsContact C-N 3.32Å; E50-D52 PolarHBondContact O-N 3.33Å; D52-F54 PolarHBondContact O-N 2.93Å; D52-F92 WeakPolarHBondContact O-CD2 3.48Å; D52-F287 HydrophobicContact CB-CE2 4.1Å; D52-G314 WeakPolarHBondContact OD1-CA 3.36Å; D52-R315 PolarHBondContact OD1-N 3.39Å; D52-R315 IonicContact OD1-NE 3.1Å; D52-R315 IonicContact OD2-CZ 2.62Å; D52-R315 IonicContact OD2-NE 2.72Å; D52-R315 PolarHBondContact OD2-NE 2.88Å; D52-R315 IonicContact OD2-NH2 3.33Å; D52-R315 PolarHBondContact OD2-NH2 2.93Å; D52-L320 HydrophobicContact CB-CD2 4.31Å |
| 53 | Y | 95.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -66 | -18.8 | 170.7 | -65.4 | -64.1 | 0 | 0 | 0 | 112.8 | E50 A51 K91 F92 L100 T105 F109 F287 E317 L320 | E50-Y53 HydrophobicContact CB-CD2 3.91Å; E50-Y53 HydrophobicContact CB-CE2 4.04Å; E50-Y53 WeakPolarHBondContact O-CD2 3.2Å; E50-Y53 PolarHBondContact O-N 3.11Å; A51-Y53 PolarHBondContact O-N 2.87Å; Y53-K91 PolarHBondContact O-N 3.02Å; Y53-F92 HydrophobicContact CD1-CB 4.39Å; Y53-F92 PolarHBondContact O-N 2.9Å; Y53-L100 HydrophobicContact CD2-CD2 3.94Å; Y53-L100 HydrophobicContact CE1-CD2 4.48Å; Y53-L100 HydrophobicContact CE2-CD2 3.32Å; Y53-T105 HydrophobicContact CD2-CG2 4.37Å; Y53-F109 HydrophobicContact CD1-CZ 4.44Å; Y53-F109 HydrophobicContact CD2-CE2 4.39Å; Y53-F109 HydrophobicContact CG-CE2 4.22Å; Y53-F109 HydrophobicContact CG-CZ 4.24Å; Y53-F287 AromaticContact CD1-CE1 3.96Å; Y53-F287 HydrophobicContact CD1-CE1 3.96Å; Y53-F287 AromaticContact CD1-CZ 3.64Å; Y53-F287 HydrophobicContact CD1-CZ 3.64Å; Y53-F287 AromaticContact CE1-CE1 3.92Å; Y53-F287 HydrophobicContact CE1-CE1 3.92Å; Y53-F287 AromaticContact CE1-CZ 3.68Å; Y53-F287 HydrophobicContact CE1-CZ 3.68Å; Y53-E317 HydrophobicContact CE1-CG 4.44Å; Y53-L320 HydrophobicContact CD2-CD2 3.77Å; Y53-L320 HydrophobicContact CE1-CD2 4.26Å; Y53-L320 HydrophobicContact CE2-CD2 3.48Å; Y53-L320 VanDerWaalsContact CE2-CD2 3.48Å; Y53-L320 HydrophobicContact CG-CD2 4.27Å |
| 54 | F | 96.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 158.6 | -173.6 | -53.6 | -98.6 | 0 | 0 | 0 | 111.5 | L20 F39 L48 A51 D52 F88 S89 V90 T105 L108 F109 | L20-F54 HydrophobicContact CD1-CD1 4.34Å; L20-F54 HydrophobicContact CD1-CE1 4.11Å; F39-F54 VanDerWaalsContact CZ-O 3.27Å; F39-F54 WeakPolarHBondContact CZ-O 3.1Å; L48-F54 HydrophobicContact CD1-CE2 4.41Å; L48-F54 HydrophobicContact CD2-CD2 3.62Å; L48-F54 HydrophobicContact CD2-CE2 3.79Å; L48-F54 HydrophobicContact CD2-CG 4.3Å; A51-F54 PolarHBondContact O-N 3.35Å; D52-F54 PolarHBondContact O-N 2.93Å; F54-F88 HydrophobicContact CB-CD2 4.48Å; F54-F88 HydrophobicContact CB-CE1 4.25Å; F54-F88 HydrophobicContact CB-CE2 3.61Å; F54-F88 HydrophobicContact CB-CZ 3.46Å; F54-F88 VanDerWaalsContact CB-CZ 3.46Å; F54-F88 HydrophobicContact CD1-CD1 4.43Å; F54-F88 AromaticContact CD1-CE1 3.58Å; F54-F88 HydrophobicContact CD1-CE1 3.58Å; F54-F88 HydrophobicContact CD1-CE2 4.49Å; F54-F88 AromaticContact CD1-CZ 3.61Å; F54-F88 HydrophobicContact CD1-CZ 3.61Å; F54-F88 HydrophobicContact CD2-CZ 4.25Å; F54-F88 HydrophobicContact CE1-CE1 4.12Å; F54-F88 HydrophobicContact CE1-CZ 4.41Å; F54-F88 HydrophobicContact CG-CE1 4.01Å; F54-F88 HydrophobicContact CG-CE2 4.2Å; F54-F88 AromaticContact CG-CZ 3.52Å; F54-F88 HydrophobicContact CG-CZ 3.52Å; F54-S89 WeakPolarHBondContact CA-O 3.44Å; F54-V90 HydrophobicContact CD1-CG2 3.88Å; F54-V90 HydrophobicContact CE1-CG2 3.56Å; F54-V90 HydrophobicContact CZ-CG2 4.38Å; F54-T105 HydrophobicContact CE2-CG2 4.03Å; F54-T105 HydrophobicContact CZ-CG2 4.19Å; F54-L108 HydrophobicContact CE1-CB 3.7Å; F54-L108 HydrophobicContact CE1-CD1 4.21Å; F54-L108 HydrophobicContact CZ-CB 3.71Å; F54-L108 HydrophobicContact CZ-CD1 3.97Å; F54-F109 HydrophobicContact CE1-CD2 4.39Å; F54-F109 HydrophobicContact CE2-CE2 4.22Å; F54-F109 AromaticContact CZ-CD2 3.79Å; F54-F109 HydrophobicContact CZ-CD2 3.79Å; F54-F109 AromaticContact CZ-CE2 3.85Å; F54-F109 HydrophobicContact CZ-CE2 3.85Å |
| 55 | D | 96 | Very high | 89.8 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 178.1 | 171.4 | -159.6 | -3.6 | 0 | 0 | 0 | 109.5 | W67 H70 S89 K91 | D55-W67 HydrophobicContact CB-CD2 4.46Å; D55-W67 HydrophobicContact CB-CE3 3.76Å; D55-W67 HydrophobicContact CB-CZ3 3.98Å; D55-H70 IonicContact OD1-CD2 3.46Å; D55-H70 IonicContact OD1-CE1 3.59Å; D55-H70 IonicContact OD1-NE2 3.06Å; D55-H70 PolarHBondContact OD1-NE2 2.91Å; D55-H70 IonicContact OD2-NE2 2.94Å; D55-S89 PolarHBondContact N-O 3.27Å; D55-S89 VanDerWaalsContact N-O 3.11Å; D55-S89 PolarHBondContact O-N 2.62Å; D55-K91 HydrophobicContact CB-CB 3.98Å; D55-K91 HydrophobicContact CB-CD 3.42Å; D55-K91 VanDerWaalsContact CB-CD 3.42Å; D55-K91 HydrophobicContact CB-CG 4.34Å; D55-K91 WeakPolarHBondContact OD2-CD 3.48Å; D55-K91 IonicContact OD2-NZ 2.78Å; D55-K91 PolarHBondContact OD2-NZ 2.89Å |
| 56 | L | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.9 | 175.9 | -67.2 | 166.7 | 0 | 0 | 0 | 109.9 | V17 L38 F39 V42 L68 Y86 R87 F88 | V17-L56 HydrophobicContact CG1-CD2 3.59Å; V17-L56 HydrophobicContact CG2-CD2 4.34Å; L38-L56 HydrophobicContact CD1-CD1 4.37Å; L38-L56 HydrophobicContact CD2-CD1 4Å; L38-L56 HydrophobicContact CG-CD1 3.73Å; F39-L56 HydrophobicContact CB-CD1 4.49Å; F39-L56 HydrophobicContact CD2-CD1 4.23Å; F39-L56 HydrophobicContact CD2-CG 4.2Å; V42-L56 HydrophobicContact CG2-CD1 4.15Å; L56-L68 HydrophobicContact CB-CB 4.06Å; L56-L68 HydrophobicContact CB-CD2 4.06Å; L56-L68 HydrophobicContact CD1-CD2 3.79Å; L56-L68 VanDerWaalsContact O-CB 3.32Å; L56-L68 WeakPolarHBondContact O-CB 3.33Å; L56-L68 PolarHBondContact O-N 3.27Å; L56-Y86 HydrophobicContact CB-CD1 4.02Å; L56-Y86 HydrophobicContact CB-CG 4.44Å; L56-R87 CarbonylContact C-O 3.56Å; L56-R87 WeakPolarHBondContact CA-O 3.25Å; L56-F88 HydrophobicContact CD2-CB 4.24Å; L56-F88 HydrophobicContact CD2-CD2 4.32Å |
| 57 | E | 93.7 | Very high | 89.7 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 155.8 | 168.8 | 68.6 | 172.3 | 153.2 | 0 | 0 | 112.1 | R65 C66 W67 Y86 R87 | E57-R65 WeakPolarHBondContact OE2-CD 3.37Å; E57-R65 IonicContact OE2-NE 3.87Å; E57-C66 CarbonylContact C-O 3.56Å; E57-C66 VanDerWaalsContact CA-O 3.25Å; E57-C66 WeakPolarHBondContact CA-O 3.34Å; E57-W67 HydrophobicContact CB-CE3 3.75Å; E57-W67 HydrophobicContact CB-CZ3 3.78Å; E57-W67 HydrophobicContact CG-CZ3 4.44Å; E57-Y86 CarbonylContact O-C 3.59Å; E57-Y86 WeakPolarHBondContact O-CA 3.49Å; E57-R87 VanDerWaalsContact CD-NH2 3.26Å; E57-R87 HydrophobicContact CG-CB 3.99Å; E57-R87 PolarHBondContact N-O 3.46Å; E57-R87 PolarHBondContact O-N 2.91Å; E57-R87 IonicContact OE1-CZ 2.84Å; E57-R87 IonicContact OE1-NE 3.85Å; E57-R87 PolarHBondContact OE1-NE 3.26Å; E57-R87 IonicContact OE1-NH2 2.68Å; E57-R87 PolarHBondContact OE1-NH2 3.48Å; E57-R87 IonicContact OE2-NH2 2.79Å; E57-R87 PolarHBondContact OE2-NH2 3.35Å |
| 58 | Y | 91.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 24.1 Ų | 24.1 | 8% | 0.078 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.6 | 170.9 | 65.6 | -76.3 | 0 | 0 | 0 | 110 | N60 C66 Q77 Y78 Y86 | Y58-N60 HydrophobicContact CE2-CB 4.34Å; Y58-C66 HydrophobicContact CD1-CB 4Å; Y58-C66 VanDerWaalsContact CD1-O 3.32Å; Y58-C66 WeakPolarHBondContact CD1-O 3.49Å; Y58-C66 HydrophobicContact CD2-CB 4.35Å; Y58-C66 HydrophobicContact CE1-CB 3.51Å; Y58-C66 HydrophobicContact CE2-CB 3.9Å; Y58-C66 HydrophobicContact CG-CB 4.39Å; Y58-C66 VanDerWaalsContact CZ-CB 3.44Å; Y58-C66 PolarHBondContact N-O 3.17Å; Y58-C66 PolarHBondContact O-N 3.02Å; Y58-Q77 HydrophobicContact CE2-CB 4.5Å; Y58-Y78 HydrophobicContact CD2-CD2 4.49Å; Y58-Y78 AromaticContact CD2-CE2 3.99Å; Y58-Y78 HydrophobicContact CD2-CE2 3.99Å; Y58-Y78 HydrophobicContact CG-CE2 4.19Å; Y58-Y86 HydrophobicContact CD1-CD1 4.1Å; Y58-Y86 AromaticContact CD1-CE1 3.6Å; Y58-Y86 HydrophobicContact CD1-CE1 3.6Å; Y58-Y86 HydrophobicContact CE1-CE1 4.35Å; Y58-Y86 HydrophobicContact CG-CD1 4.34Å; Y58-Y86 AromaticContact CG-CE1 3.96Å; Y58-Y86 HydrophobicContact CG-CE1 3.96Å |
| 59 | V | 88.3 | Confident | 89.8 | Confident | 49 Ų | 49 | 24.6 Ų | 24.6 | 30% | 0.297 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 123.5 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | R65 | V59-R65 HydrophobicContact CG2-CG 4.43Å |
| 60 | N | 83.9 | Confident | 89.8 | Confident | 26 Ų | 26 | 26.4 Ų | 26.4 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | trans | -78.2 | 174.9 | 177.4 | 81.7 | -10.2 | 0 | 0 | 0 | 112.1 | Y58 E62 G63 L64 | Y58-N60 HydrophobicContact CE2-CB 4.34Å; N60-E62 PolarHBondContact ND2-OE2 3.02Å; N60-E62 PolarHBondContact O-N 2.94Å; N60-E62 VanDerWaalsContact O-N 3.09Å; N60-E62 WeakPolarHBondContact OD1-CA 3.31Å; N60-E62 WeakPolarHBondContact OD1-CB 3.44Å; N60-E62 PolarHBondContact OD1-N 2.99Å; N60-G63 PolarHBondContact O-N 3.22Å; N60-G63 PolarHBondContact OD1-N 3.2Å; N60-G63 VanDerWaalsContact OD1-N 3.14Å; N60-L64 PolarHBondContact N-O 2.88Å; N60-L64 WeakPolarHBondContact OD1-CB 3.35Å; N60-L64 PolarHBondContact OD1-N 2.83Å | ||
| 61 | D | 79.4 | Confident | 89.5 | Confident | 71 Ų | 71 | 30.6 Ų | 30.6 | 38% | 0.38 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.4 | 178.4 | -62.4 | -80.2 | 0 | 0 | 0 | 114.7 | S79 R82 | D61-S79 WeakPolarHBondContact OD2-CB 3.12Å; D61-S79 PolarHBondContact OD2-N 2.88Å; D61-S79 PolarHBondContact OD2-OG 2.82Å; D61-R82 IonicContact OD1-CZ 2.91Å; D61-R82 IonicContact OD1-NE 3.68Å; D61-R82 PolarHBondContact OD1-NE 3.17Å; D61-R82 IonicContact OD1-NH2 3.01Å; D61-R82 PolarHBondContact OD1-NH2 2.68Å |
| 62 | E | 77.8 | Confident | 89.2 | Confident | 113 Ų | 113 | 34.2 Ų | 34.2 | 53% | 0.528 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.5 | 175.9 | -49.7 | 172.3 | 124.8 | 0 | 0 | 112.6 | N60 L64 | N60-E62 PolarHBondContact ND2-OE2 3.02Å; N60-E62 PolarHBondContact O-N 2.94Å; N60-E62 VanDerWaalsContact O-N 3.09Å; N60-E62 WeakPolarHBondContact OD1-CA 3.31Å; N60-E62 WeakPolarHBondContact OD1-CB 3.44Å; N60-E62 PolarHBondContact OD1-N 2.99Å; E62-L64 HydrophobicContact CB-CD1 4.49Å; E62-L64 HydrophobicContact CB-CG 4.29Å |
| 63 | G | 80 | Confident | 89 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 85.9 | 2.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | N60 L515 | N60-G63 PolarHBondContact O-N 3.22Å; N60-G63 PolarHBondContact OD1-N 3.2Å; N60-G63 VanDerWaalsContact OD1-N 3.14Å; G63-L515 WeakPolarHBondContact O-CD2 3.44Å |
| 64 | L | 82.6 | Confident | 88.6 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 12% | 0.12 | 18% | 0.175 | C | C | . | . | trans | -83.2 | 136 | -176.8 | -59.1 | 178 | 0 | 0 | 0 | 112.4 | N60 E62 C66 E273 | N60-L64 PolarHBondContact N-O 2.88Å; N60-L64 WeakPolarHBondContact OD1-CB 3.35Å; N60-L64 PolarHBondContact OD1-N 2.83Å; E62-L64 HydrophobicContact CB-CD1 4.49Å; E62-L64 HydrophobicContact CB-CG 4.29Å; L64-C66 PolarHBondContact O-N 2.82Å; L64-C66 PolarHBondContact O-SG 2.82Å; L64-E273 HydrophobicContact CD1-CB 4Å | ||
| 65 | R | 86.2 | Confident | 88 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 103.5 | 174.1 | -73.6 | -179.1 | 168.3 | 173.1 | -7.2 | 112.3 | E57 V59 K280 D518 | E57-R65 WeakPolarHBondContact OE2-CD 3.37Å; E57-R65 IonicContact OE2-NE 3.87Å; V59-R65 HydrophobicContact CG2-CG 4.43Å; R65-K280 PolarHBondContact O-NZ 2.93Å; R65-K280 VanDerWaalsContact O-NZ 3.08Å; R65-D518 IonicContact CZ-OD1 3.49Å; R65-D518 VanDerWaalsContact CZ-OD1 3.32Å; R65-D518 IonicContact CZ-OD2 3.19Å; R65-D518 IonicContact NE-OD2 3.68Å; R65-D518 PolarHBondContact NE-OD2 2.88Å; R65-D518 IonicContact NH1-OD1 3.79Å; R65-D518 PolarHBondContact NH1-OD1 3Å; R65-D518 IonicContact NH1-OD2 2.75Å; R65-D518 PolarHBondContact NH1-OD2 2.87Å; R65-D518 VanDerWaalsContact NH1-OD2 3.11Å; R65-D518 IonicContact NH2-OD1 2.72Å; R65-D518 PolarHBondContact NH2-OD1 2.87Å; R65-D518 IonicContact NH2-OD2 2.75Å; R65-D518 PolarHBondContact NH2-OD2 3.32Å |
| 66 | C | 89.5 | Confident | 87.5 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.4 | -177.9 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | E57 Y58 L64 Q276 | E57-C66 CarbonylContact C-O 3.56Å; E57-C66 VanDerWaalsContact CA-O 3.25Å; E57-C66 WeakPolarHBondContact CA-O 3.34Å; Y58-C66 HydrophobicContact CD1-CB 4Å; Y58-C66 VanDerWaalsContact CD1-O 3.32Å; Y58-C66 WeakPolarHBondContact CD1-O 3.49Å; Y58-C66 HydrophobicContact CD2-CB 4.35Å; Y58-C66 HydrophobicContact CE1-CB 3.51Å; Y58-C66 HydrophobicContact CE2-CB 3.9Å; Y58-C66 HydrophobicContact CG-CB 4.39Å; Y58-C66 VanDerWaalsContact CZ-CB 3.44Å; Y58-C66 PolarHBondContact N-O 3.17Å; Y58-C66 PolarHBondContact O-N 3.02Å; L64-C66 PolarHBondContact O-N 2.82Å; L64-C66 PolarHBondContact O-SG 2.82Å; C66-Q276 VanDerWaalsContact SG-CD 3.53Å; C66-Q276 PolarHBondContact SG-OE1 2.88Å |
| 67 | W | 93.1 | Very high | 87 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 17% | 0.167 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 148.6 | 162.9 | -64.7 | 126.1 | 0 | 0 | 0 | 110.9 | D55 E57 D69 K91 | D55-W67 HydrophobicContact CB-CD2 4.46Å; D55-W67 HydrophobicContact CB-CE3 3.76Å; D55-W67 HydrophobicContact CB-CZ3 3.98Å; E57-W67 HydrophobicContact CB-CE3 3.75Å; E57-W67 HydrophobicContact CB-CZ3 3.78Å; E57-W67 HydrophobicContact CG-CZ3 4.44Å; W67-D69 PolarHBondContact O-N 3.5Å; W67-K91 HydrophobicContact CD2-CD 4.02Å; W67-K91 HydrophobicContact CD2-CG 4.25Å; W67-K91 HydrophobicContact CE3-CD 4.39Å; W67-K91 HydrophobicContact CG-CD 4.25Å; W67-K91 HydrophobicContact CH2-CB 3.8Å; W67-K91 HydrophobicContact CH2-CG 4.29Å; W67-K91 HydrophobicContact CZ2-CB 3.78Å; W67-K91 HydrophobicContact CZ2-CD 4.46Å; W67-K91 HydrophobicContact CZ2-CG 3.8Å; W67-K91 HydrophobicContact CZ3-CB 4.24Å |
| 68 | L | 92.8 | Very high | 86.1 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 120.5 | 173.7 | 179.9 | 66.1 | 0 | 0 | 0 | 110.6 | G35 L38 F39 L56 H70 Y86 | G35-L68 WeakPolarHBondContact O-CD2 3.2Å; L38-L68 HydrophobicContact CD2-CD2 3.97Å; L38-L68 HydrophobicContact CG-CD2 4.33Å; F39-L68 HydrophobicContact CB-CD2 4.48Å; L56-L68 HydrophobicContact CB-CB 4.06Å; L56-L68 HydrophobicContact CB-CD2 4.06Å; L56-L68 HydrophobicContact CD1-CD2 3.79Å; L56-L68 VanDerWaalsContact O-CB 3.32Å; L56-L68 WeakPolarHBondContact O-CB 3.33Å; L56-L68 PolarHBondContact O-N 3.27Å; L68-H70 PolarHBondContact O-CD2 2.94Å; L68-H70 PolarHBondContact O-N 2.82Å; L68-H70 VanDerWaalsContact O-N 3.09Å; L68-Y86 HydrophobicContact CB-CE1 4.38Å; L68-Y86 HydrophobicContact CD1-CE1 3.65Å; L68-Y86 HydrophobicContact CG-CE1 4.47Å |
| 69 | D | 90.8 | Very high | 84.8 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | trans | -80.7 | 93 | 177.7 | -157.4 | -21.1 | 0 | 0 | 0 | 108.9 | W67 N71 K72 Q77 K279 | W67-D69 PolarHBondContact O-N 3.5Å; D69-N71 PolarHBondContact O-N 3.29Å; D69-K72 HydrophobicContact CB-CB 4.27Å; D69-K72 HydrophobicContact CB-CD 3.9Å; D69-K72 HydrophobicContact CB-CG 4.09Å; D69-K72 PolarHBondContact O-N 2.62Å; D69-K72 WeakPolarHBondContact OD2-CE 3.5Å; D69-K72 IonicContact OD2-NZ 3.11Å; D69-K72 PolarHBondContact OD2-NZ 3Å; D69-Q77 VanDerWaalsContact CB-OE1 3.25Å; D69-Q77 PolarHBondContact O-NE2 3.13Å; D69-K279 IonicContact OD1-NZ 2.65Å; D69-K279 PolarHBondContact OD1-NZ 2.64Å; D69-K279 IonicContact OD2-NZ 3.32Å; D69-K279 PolarHBondContact OD2-NZ 2.92Å | ||
| 70 | H | 90.7 | Very high | 83.3 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 19% | 0.185 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -31.2 | -173.9 | -62.6 | 179.1 | 0 | 0 | 0 | 113.1 | G35 E36 F39 D55 L68 K72 | G35-H70 PolarHBondContact N-O 3.35Å; E36-H70 HydrophobicContact CB-CB 4.2Å; E36-H70 PolarHBondContact N-O 3.14Å; F39-H70 AromaticContact CD1-CE1 3.94Å; D55-H70 IonicContact OD1-CD2 3.46Å; D55-H70 IonicContact OD1-CE1 3.59Å; D55-H70 IonicContact OD1-NE2 3.06Å; D55-H70 PolarHBondContact OD1-NE2 2.91Å; D55-H70 IonicContact OD2-NE2 2.94Å; L68-H70 PolarHBondContact O-CD2 2.94Å; L68-H70 PolarHBondContact O-N 2.82Å; L68-H70 VanDerWaalsContact O-N 3.09Å; H70-K72 VanDerWaalsContact C-N 3.27Å; H70-K72 PolarHBondContact O-N 3.02Å |
| 71 | N | 87.4 | Confident | 82.2 | Confident | 90 Ų | 90 | 59 Ų | 59 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -8 | 176.8 | -74.4 | -90.1 | 0 | 0 | 0 | 115.3 | D69 L313 | D69-N71 PolarHBondContact O-N 3.29Å; N71-L313 WeakPolarHBondContact ND2-CD1 3.22Å |
| 72 | K | 88 | Confident | 81.7 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -115.5 | 147.2 | -177 | -66.4 | -178.5 | -172.2 | 140.9 | 0 | 111.3 | G35 D69 H70 Q77 | G35-K72 PolarHBondContact N-O 2.92Å; D69-K72 HydrophobicContact CB-CB 4.27Å; D69-K72 HydrophobicContact CB-CD 3.9Å; D69-K72 HydrophobicContact CB-CG 4.09Å; D69-K72 PolarHBondContact O-N 2.62Å; D69-K72 WeakPolarHBondContact OD2-CE 3.5Å; D69-K72 IonicContact OD2-NZ 3.11Å; D69-K72 PolarHBondContact OD2-NZ 3Å; H70-K72 VanDerWaalsContact C-N 3.27Å; H70-K72 PolarHBondContact O-N 3.02Å; K72-Q77 HydrophobicContact CB-CG 4.05Å; K72-Q77 HydrophobicContact CD-CG 4.25Å; K72-Q77 PolarHBondContact O-NE2 3.01Å |
| 73 | T | 89 | Confident | 81.8 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 144.4 | 168.1 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | H32 S33 L34 L75 R76 | H32-T73 WeakPolarHBondContact O-CG2 3.41Å; S33-T73 WeakPolarHBondContact O-CA 3.07Å; L34-T73 HydrophobicContact CD2-CG2 4.16Å; T73-L75 VanDerWaalsContact C-N 3.28Å; T73-L75 PolarHBondContact O-N 3.03Å; T73-R76 WeakPolarHBondContact O-CB 3.47Å; T73-R76 PolarHBondContact O-N 2.83Å; T73-R76 VanDerWaalsContact OG1-CD 3.32Å; T73-R76 WeakPolarHBondContact OG1-CD 3.21Å; T73-R76 VanDerWaalsContact OG1-CG 3.26Å; T73-R76 WeakPolarHBondContact OG1-CG 3.4Å |
| 74 | I | 87.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -51.4 | -47.4 | -178.5 | -60.4 | 163.5 | 0 | 0 | 0 | 111.2 | I29 S33 L38 R76 Q77 F84 Y86 | I29-I74 HydrophobicContact CB-CD1 4.48Å; I29-I74 HydrophobicContact CG2-CD1 3.73Å; S33-I74 PolarHBondContact O-N 2.85Å; S33-I74 VanDerWaalsContact O-N 3.13Å; L38-I74 HydrophobicContact CB-CD1 4.01Å; L38-I74 HydrophobicContact CD2-CD1 4.21Å; L38-I74 HydrophobicContact CD2-CG1 4.36Å; I74-R76 PolarHBondContact O-N 2.97Å; I74-Q77 PolarHBondContact O-N 2.76Å; I74-Q77 VanDerWaalsContact O-N 3.08Å; I74-F84 HydrophobicContact CG2-CD1 3.69Å; I74-F84 HydrophobicContact CG2-CE1 4.04Å; I74-F84 HydrophobicContact CG2-CG 4.5Å; I74-Y86 HydrophobicContact CG2-CE2 4.35Å |
| 75 | L | 85.1 | Confident | 82.5 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -59.7 | -6.4 | 175.1 | -79.2 | -175.1 | 0 | 0 | 0 | 116.5 | I13 G31 T73 F84 | I13-L75 HydrophobicContact CD1-CD1 3.97Å; I13-L75 HydrophobicContact CD1-CD2 3.46Å; I13-L75 VanDerWaalsContact CD1-CD2 3.46Å; I13-L75 HydrophobicContact CD1-CG 3.59Å; G31-L75 VanDerWaalsContact O-CD1 3.3Å; G31-L75 WeakPolarHBondContact O-CD1 3.4Å; G31-L75 VanDerWaalsContact O-CG 3.31Å; G31-L75 WeakPolarHBondContact O-CG 3.43Å; T73-L75 VanDerWaalsContact C-N 3.28Å; T73-L75 PolarHBondContact O-N 3.03Å; L75-F84 HydrophobicContact CD2-CE1 4.24Å; L75-F84 HydrophobicContact CD2-CZ 3.75Å |
| 76 | R | 84.9 | Confident | 82.8 | Confident | 195 Ų | 195 | 62 Ų | 62 | 74% | 0.736 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -107.9 | 11.5 | 177.3 | -73.6 | -179.9 | 176.4 | -179.9 | -1.4 | 113.1 | T73 I74 | T73-R76 WeakPolarHBondContact O-CB 3.47Å; T73-R76 PolarHBondContact O-N 2.83Å; T73-R76 VanDerWaalsContact OG1-CD 3.32Å; T73-R76 WeakPolarHBondContact OG1-CD 3.21Å; T73-R76 VanDerWaalsContact OG1-CG 3.26Å; T73-R76 WeakPolarHBondContact OG1-CG 3.4Å; I74-R76 PolarHBondContact O-N 2.97Å |
| 77 | Q | 84.4 | Confident | 83 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -32.8 | -178.8 | -49.2 | -154 | 47.1 | 0 | 0 | 111.6 | Y58 D69 K72 I74 | Y58-Q77 HydrophobicContact CE2-CB 4.5Å; D69-Q77 VanDerWaalsContact CB-OE1 3.25Å; D69-Q77 PolarHBondContact O-NE2 3.13Å; K72-Q77 HydrophobicContact CB-CG 4.05Å; K72-Q77 HydrophobicContact CD-CG 4.25Å; K72-Q77 PolarHBondContact O-NE2 3.01Å; I74-Q77 PolarHBondContact O-N 2.76Å; I74-Q77 VanDerWaalsContact O-N 3.08Å |
| 78 | Y | 74.8 | Confident | 83.2 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -94.1 | 147.7 | 169.7 | -85.7 | -94.8 | 0 | 0 | 0 | 112.3 | Y58 R82 F84 I85 Y86 | Y58-Y78 HydrophobicContact CD2-CD2 4.49Å; Y58-Y78 AromaticContact CD2-CE2 3.99Å; Y58-Y78 HydrophobicContact CD2-CE2 3.99Å; Y58-Y78 HydrophobicContact CG-CE2 4.19Å; Y78-R82 HydrophobicContact CD1-CB 4.12Å; Y78-R82 HydrophobicContact CE1-CB 4.36Å; Y78-F84 AromaticContact CD2-CD1 3.66Å; Y78-F84 HydrophobicContact CD2-CD1 3.66Å; Y78-F84 HydrophobicContact CD2-CE1 4.04Å; Y78-F84 HydrophobicContact CE2-CD1 4.11Å; Y78-F84 AromaticContact CG-CD1 3.97Å; Y78-F84 HydrophobicContact CG-CD1 3.97Å; Y78-F84 HydrophobicContact CG-CE1 4.01Å; Y78-I85 PolarHBondContact OH-N 2.71Å; Y78-I85 PolarHBondContact OH-O 3.49Å; Y78-Y86 HydrophobicContact CE2-CE1 4.22Å; Y78-Y86 AromaticContact CE2-CE2 3.92Å; Y78-Y86 HydrophobicContact CE2-CE2 3.92Å; Y78-Y86 AromaticContact CE2-CZ 3.67Å |
| 79 | S | 65 | Low | 83.4 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 44% | 0.441 | 30% | 0.297 | S | S | . | . | trans | -70.7 | 145.6 | 156.3 | -59.2 | 0 | 0 | 0 | 0 | 110 | D61 N81 | D61-S79 WeakPolarHBondContact OD2-CB 3.12Å; D61-S79 PolarHBondContact OD2-N 2.88Å; D61-S79 PolarHBondContact OD2-OG 2.82Å; S79-N81 PolarHBondContact O-N 3.37Å | ||
| 80 | T | 56.6 | Low | 83.7 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 72% | 0.718 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -69.1 | 2 | -152.8 | -41.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 81 | N | 61.3 | Low | 83.9 | Confident | 156 Ų | 156 | 58.2 Ų | 58.2 | 83% | 0.834 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -125.7 | 37.4 | -168.5 | -63.3 | 10.2 | 0 | 0 | 0 | 113.5 | S79 | S79-N81 PolarHBondContact O-N 3.37Š|
| 82 | R | 68.8 | Low | 84.3 | Confident | 130 Ų | 130 | 54 Ų | 54 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -135.9 | 155.1 | 175.6 | -60.8 | -172 | -168.7 | -119 | 4.1 | 111.8 | D61 Y78 | D61-R82 IonicContact OD1-CZ 2.91Å; D61-R82 IonicContact OD1-NE 3.68Å; D61-R82 PolarHBondContact OD1-NE 3.17Å; D61-R82 IonicContact OD1-NH2 3.01Å; D61-R82 PolarHBondContact OD1-NH2 2.68Å; Y78-R82 HydrophobicContact CD1-CB 4.12Å; Y78-R82 HydrophobicContact CE1-CB 4.36Å |
| 83 | D | 79.4 | Confident | 84.7 | Confident | 123 Ų | 123 | 50.9 Ų | 50.9 | 66% | 0.658 | 25% | 0.251 | S | S | * | . | trans | -66.7 | 142.2 | 167.1 | -57.5 | -64.7 | 0 | 0 | 0 | 110.9 | I85 | D83-I85 VanDerWaalsContact C-N 3.31Å; D83-I85 HydrophobicContact CB-CD1 4.48Å; D83-I85 HydrophobicContact CB-CG1 4.23Å; D83-I85 PolarHBondContact O-N 2.96Å | ||
| 84 | F | 85.6 | Confident | 84.9 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 72.1 | -172.9 | -63.2 | -90.1 | 0 | 0 | 0 | 110.6 | I13 V15 H16 I74 L75 Y78 Y86 | I13-F84 HydrophobicContact CD1-CE2 4.34Å; I13-F84 HydrophobicContact CD1-CZ 4.3Å; I13-F84 HydrophobicContact CG2-CD2 3.35Å; I13-F84 HydrophobicContact CG2-CE2 3.49Å; I13-F84 VanDerWaalsContact CG2-CE2 3.49Å; I13-F84 HydrophobicContact CG2-CG 4.03Å; I13-F84 HydrophobicContact CG2-CZ 4.23Å; V15-F84 HydrophobicContact CB-CB 4.37Å; V15-F84 HydrophobicContact CG1-CB 4.16Å; V15-F84 WeakPolarHBondContact CG1-O 3.49Å; V15-F84 HydrophobicContact CG2-CB 4.1Å; H16-F84 PolarHBondContact N-O 2.96Å; H16-F84 VanDerWaalsContact O-O 3.13Å; I74-F84 HydrophobicContact CG2-CD1 3.69Å; I74-F84 HydrophobicContact CG2-CE1 4.04Å; I74-F84 HydrophobicContact CG2-CG 4.5Å; L75-F84 HydrophobicContact CD2-CE1 4.24Å; L75-F84 HydrophobicContact CD2-CZ 3.75Å; Y78-F84 AromaticContact CD2-CD1 3.66Å; Y78-F84 HydrophobicContact CD2-CD1 3.66Å; Y78-F84 HydrophobicContact CD2-CE1 4.04Å; Y78-F84 HydrophobicContact CE2-CD1 4.11Å; Y78-F84 AromaticContact CG-CD1 3.97Å; Y78-F84 HydrophobicContact CG-CD1 3.97Å; Y78-F84 HydrophobicContact CG-CE1 4.01Å; F84-Y86 HydrophobicContact CB-CE2 4.34Å |
| 85 | I | 90.9 | Very high | 85.1 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 38% | 0.379 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 105.1 | -179.2 | -54.6 | 176.8 | 0 | 0 | 0 | 109.8 | H16 Y78 D83 | H16-I85 HydrophobicContact CB-CG1 4.48Å; Y78-I85 PolarHBondContact OH-N 2.71Å; Y78-I85 PolarHBondContact OH-O 3.49Å; D83-I85 VanDerWaalsContact C-N 3.31Å; D83-I85 HydrophobicContact CB-CD1 4.48Å; D83-I85 HydrophobicContact CB-CG1 4.23Å; D83-I85 PolarHBondContact O-N 2.96Å |
| 86 | Y | 93.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 161.4 | 169.6 | -69.7 | -87.6 | 0 | 0 | 0 | 110.7 | V15 H16 V17 L18 L38 L56 E57 Y58 L68 I74 Y78 F84 | V15-Y86 HydrophobicContact CG1-CD2 3.55Å; V15-Y86 HydrophobicContact CG1-CE2 3.87Å; H16-Y86 PolarHBondContact O-N 2.68Å; V17-Y86 CarbonylContact C-O 3.54Å; V17-Y86 WeakPolarHBondContact CA-O 3.48Å; L18-Y86 PolarHBondContact N-O 3.08Å; L38-Y86 HydrophobicContact CD2-CD2 3.93Å; L38-Y86 HydrophobicContact CD2-CE2 3.74Å; L38-Y86 HydrophobicContact CD2-CG 4.44Å; L56-Y86 HydrophobicContact CB-CD1 4.02Å; L56-Y86 HydrophobicContact CB-CG 4.44Å; E57-Y86 CarbonylContact O-C 3.59Å; E57-Y86 WeakPolarHBondContact O-CA 3.49Å; Y58-Y86 HydrophobicContact CD1-CD1 4.1Å; Y58-Y86 AromaticContact CD1-CE1 3.6Å; Y58-Y86 HydrophobicContact CD1-CE1 3.6Å; Y58-Y86 HydrophobicContact CE1-CE1 4.35Å; Y58-Y86 HydrophobicContact CG-CD1 4.34Å; Y58-Y86 AromaticContact CG-CE1 3.96Å; Y58-Y86 HydrophobicContact CG-CE1 3.96Å; L68-Y86 HydrophobicContact CB-CE1 4.38Å; L68-Y86 HydrophobicContact CD1-CE1 3.65Å; L68-Y86 HydrophobicContact CG-CE1 4.47Å; I74-Y86 HydrophobicContact CG2-CE2 4.35Å; Y78-Y86 HydrophobicContact CE2-CE1 4.22Å; Y78-Y86 AromaticContact CE2-CE2 3.92Å; Y78-Y86 HydrophobicContact CE2-CE2 3.92Å; Y78-Y86 AromaticContact CE2-CZ 3.67Å; F84-Y86 HydrophobicContact CB-CE2 4.34Å |
| 87 | R | 94.6 | Very high | 85.7 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.1 | 173.9 | -177.7 | 167.2 | 66.2 | -152.7 | 10 | 110.2 | L18 L56 E57 N522 | L18-R87 HydrophobicContact CB-CB 4.46Å; L18-R87 HydrophobicContact CB-CG 4.35Å; L18-R87 HydrophobicContact CD2-CG 4.39Å; L18-R87 WeakPolarHBondContact O-CA 3.48Å; L56-R87 CarbonylContact C-O 3.56Å; L56-R87 WeakPolarHBondContact CA-O 3.25Å; E57-R87 VanDerWaalsContact CD-NH2 3.26Å; E57-R87 HydrophobicContact CG-CB 3.99Å; E57-R87 PolarHBondContact N-O 3.46Å; E57-R87 PolarHBondContact O-N 2.91Å; E57-R87 IonicContact OE1-CZ 2.84Å; E57-R87 IonicContact OE1-NE 3.85Å; E57-R87 PolarHBondContact OE1-NE 3.26Å; E57-R87 IonicContact OE1-NH2 2.68Å; E57-R87 PolarHBondContact OE1-NH2 3.48Å; E57-R87 IonicContact OE2-NH2 2.79Å; E57-R87 PolarHBondContact OE2-NH2 3.35Å; R87-N522 PolarHBondContact NH1-OD1 2.8Å |
| 88 | F | 96.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127 | 173.6 | -173.7 | -105.5 | 0 | 0 | 0 | 109 | V17 L18 H19 L20 F39 V42 F46 L48 F54 L56 L108 | V17-F88 HydrophobicContact CG1-CB 4.18Å; L18-F88 PolarHBondContact O-N 2.73Å; H19-F88 AromaticContact CD2-CD1 3.73Å; L20-F88 HydrophobicContact CD1-CD1 3.9Å; L20-F88 HydrophobicContact CD1-CE1 4.09Å; L20-F88 HydrophobicContact CG-CD1 4.12Å; F39-F88 HydrophobicContact CE2-CE2 4.43Å; V42-F88 HydrophobicContact CG1-CD2 4.14Å; V42-F88 HydrophobicContact CG1-CE2 4.48Å; F46-F88 HydrophobicContact CD2-CD2 4.47Å; F46-F88 HydrophobicContact CD2-CE1 4.42Å; F46-F88 HydrophobicContact CD2-CE2 4.32Å; F46-F88 HydrophobicContact CD2-CZ 4.29Å; F46-F88 HydrophobicContact CE2-CB 4.47Å; F46-F88 HydrophobicContact CE2-CD1 4.24Å; F46-F88 HydrophobicContact CE2-CD2 4.14Å; F46-F88 HydrophobicContact CE2-CE2 4.44Å; F46-F88 HydrophobicContact CE2-CG 4.03Å; L48-F88 HydrophobicContact CD2-CZ 3.94Å; F54-F88 HydrophobicContact CB-CD2 4.48Å; F54-F88 HydrophobicContact CB-CE1 4.25Å; F54-F88 HydrophobicContact CB-CE2 3.61Å; F54-F88 HydrophobicContact CB-CZ 3.46Å; F54-F88 VanDerWaalsContact CB-CZ 3.46Å; F54-F88 HydrophobicContact CD1-CD1 4.43Å; F54-F88 AromaticContact CD1-CE1 3.58Å; F54-F88 HydrophobicContact CD1-CE1 3.58Å; F54-F88 HydrophobicContact CD1-CE2 4.49Å; F54-F88 AromaticContact CD1-CZ 3.61Å; F54-F88 HydrophobicContact CD1-CZ 3.61Å; F54-F88 HydrophobicContact CD2-CZ 4.25Å; F54-F88 HydrophobicContact CE1-CE1 4.12Å; F54-F88 HydrophobicContact CE1-CZ 4.41Å; F54-F88 HydrophobicContact CG-CE1 4.01Å; F54-F88 HydrophobicContact CG-CE2 4.2Å; F54-F88 AromaticContact CG-CZ 3.52Å; F54-F88 HydrophobicContact CG-CZ 3.52Å; L56-F88 HydrophobicContact CD2-CB 4.24Å; L56-F88 HydrophobicContact CD2-CD2 4.32Å; F88-L108 HydrophobicContact CE1-CD1 4.24Å; F88-L108 HydrophobicContact CE1-CD2 4.47Å |
| 89 | S | 96.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 158.6 | -177.4 | -71.4 | 0 | 0 | 0 | 0 | 112 | F54 D55 K91 | F54-S89 WeakPolarHBondContact CA-O 3.44Å; D55-S89 PolarHBondContact N-O 3.27Å; D55-S89 VanDerWaalsContact N-O 3.11Å; D55-S89 PolarHBondContact O-N 2.62Å; S89-K91 PolarHBondContact O-N 3.26Å |
| 90 | V | 96.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 123.8 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | F54 Y93 F109 Q112 | F54-V90 HydrophobicContact CD1-CG2 3.88Å; F54-V90 HydrophobicContact CE1-CG2 3.56Å; F54-V90 HydrophobicContact CZ-CG2 4.38Å; V90-Y93 HydrophobicContact CB-CD2 4.43Å; V90-Y93 HydrophobicContact CB-CE1 4.36Å; V90-Y93 HydrophobicContact CB-CE2 3.91Å; V90-Y93 HydrophobicContact CG1-CD1 4.26Å; V90-Y93 HydrophobicContact CG1-CD2 3.72Å; V90-Y93 HydrophobicContact CG1-CE1 4.3Å; V90-Y93 HydrophobicContact CG1-CE2 3.71Å; V90-Y93 HydrophobicContact CG1-CG 3.95Å; V90-Y93 VanDerWaalsContact O-CE2 3.28Å; V90-Y93 WeakPolarHBondContact O-CE2 3.32Å; V90-F109 HydrophobicContact CG1-CE1 3.89Å; V90-F109 HydrophobicContact CG1-CE2 4.34Å; V90-F109 HydrophobicContact CG1-CZ 3.75Å; V90-F109 HydrophobicContact CG2-CD1 4.46Å; V90-F109 HydrophobicContact CG2-CD2 4.25Å; V90-F109 HydrophobicContact CG2-CE1 4.49Å; V90-F109 HydrophobicContact CG2-CE2 4.28Å; V90-F109 HydrophobicContact CG2-CG 4.35Å; V90-F109 HydrophobicContact CG2-CZ 4.4Å; V90-Q112 HydrophobicContact CB-CG 3.94Å; V90-Q112 HydrophobicContact CG2-CB 3.78Å; V90-Q112 HydrophobicContact CG2-CG 3.71Å |
| 91 | K | 96 | Very high | 89.3 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -96.6 | -35.3 | 177.1 | 178.4 | 168.3 | 179.1 | -179.2 | 0 | 112.5 | Y53 D55 W67 S89 E283 H284 | Y53-K91 PolarHBondContact O-N 3.02Å; D55-K91 HydrophobicContact CB-CB 3.98Å; D55-K91 HydrophobicContact CB-CD 3.42Å; D55-K91 VanDerWaalsContact CB-CD 3.42Å; D55-K91 HydrophobicContact CB-CG 4.34Å; D55-K91 WeakPolarHBondContact OD2-CD 3.48Å; D55-K91 IonicContact OD2-NZ 2.78Å; D55-K91 PolarHBondContact OD2-NZ 2.89Å; W67-K91 HydrophobicContact CD2-CD 4.02Å; W67-K91 HydrophobicContact CD2-CG 4.25Å; W67-K91 HydrophobicContact CE3-CD 4.39Å; W67-K91 HydrophobicContact CG-CD 4.25Å; W67-K91 HydrophobicContact CH2-CB 3.8Å; W67-K91 HydrophobicContact CH2-CG 4.29Å; W67-K91 HydrophobicContact CZ2-CB 3.78Å; W67-K91 HydrophobicContact CZ2-CD 4.46Å; W67-K91 HydrophobicContact CZ2-CG 3.8Å; W67-K91 HydrophobicContact CZ3-CB 4.24Å; S89-K91 PolarHBondContact O-N 3.26Å; K91-E283 WeakPolarHBondContact CE-OE1 2.96Å; K91-E283 WeakPolarHBondContact CE-OE2 3.43Å; K91-E283 IonicContact NZ-OE1 3.31Å; K91-E283 PolarHBondContact NZ-OE1 3.48Å; K91-E283 IonicContact NZ-OE2 3.03Å; K91-H284 PolarHBondContact O-NE2 3.23Å |
| 92 | F | 96.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -124 | 107 | 177.6 | -55.2 | -57.6 | 0 | 0 | 0 | 110 | D52 Y53 T94 E283 H284 F287 F288 Y312 | D52-F92 WeakPolarHBondContact O-CD2 3.48Å; Y53-F92 HydrophobicContact CD1-CB 4.39Å; Y53-F92 PolarHBondContact O-N 2.9Å; F92-T94 PolarHBondContact O-N 3.46Å; F92-E283 HydrophobicContact CE1-CB 4.12Å; F92-E283 HydrophobicContact CZ-CB 4.07Å; F92-H284 AromaticContact CD1-CE1 3.85Å; F92-H284 AromaticContact CD1-ND1 3.97Å; F92-H284 AromaticContact CD1-NE2 3.91Å; F92-H284 AromaticContact CE1-CE1 3.9Å; F92-H284 AromaticContact CE1-ND1 3.68Å; F92-F287 HydrophobicContact CB-CD1 3.75Å; F92-F287 HydrophobicContact CB-CE1 3.64Å; F92-F287 HydrophobicContact CB-CG 4.41Å; F92-F287 HydrophobicContact CB-CZ 4.22Å; F92-F287 HydrophobicContact CD1-CB 4.21Å; F92-F287 HydrophobicContact CD1-CD1 4.12Å; F92-F287 HydrophobicContact CD1-CG 4.16Å; F92-F287 HydrophobicContact CD2-CB 4.21Å; F92-F287 AromaticContact CD2-CD1 3.75Å; F92-F287 HydrophobicContact CD2-CD1 3.75Å; F92-F287 AromaticContact CD2-CD2 3.52Å; F92-F287 HydrophobicContact CD2-CD2 3.52Å; F92-F287 AromaticContact CD2-CE1 3.94Å; F92-F287 HydrophobicContact CD2-CE1 3.94Å; F92-F287 AromaticContact CD2-CE2 3.73Å; F92-F287 HydrophobicContact CD2-CE2 3.73Å; F92-F287 AromaticContact CD2-CG 3.53Å; F92-F287 HydrophobicContact CD2-CG 3.53Å; F92-F287 AromaticContact CD2-CZ 3.93Å; F92-F287 HydrophobicContact CD2-CZ 3.93Å; F92-F287 HydrophobicContact CE1-CB 3.94Å; F92-F287 HydrophobicContact CE1-CG 4.27Å; F92-F287 HydrophobicContact CE2-CB 3.97Å; F92-F287 HydrophobicContact CE2-CD1 4.35Å; F92-F287 AromaticContact CE2-CD2 3.55Å; F92-F287 HydrophobicContact CE2-CD2 3.55Å; F92-F287 HydrophobicContact CE2-CE2 4.11Å; F92-F287 AromaticContact CE2-CG 3.69Å; F92-F287 HydrophobicContact CE2-CG 3.69Å; F92-F287 HydrophobicContact CG-CB 4.34Å; F92-F287 AromaticContact CG-CD1 3.61Å; F92-F287 HydrophobicContact CG-CD1 3.61Å; F92-F287 HydrophobicContact CG-CD2 4.25Å; F92-F287 AromaticContact CG-CE1 3.93Å; F92-F287 HydrophobicContact CG-CE1 3.93Å; F92-F287 AromaticContact CG-CG 3.79Å; F92-F287 HydrophobicContact CG-CG 3.79Å; F92-F287 HydrophobicContact CG-CZ 4.37Å; F92-F287 HydrophobicContact CZ-CB 3.81Å; F92-F287 HydrophobicContact CZ-CD2 4.27Å; F92-F287 HydrophobicContact CZ-CG 4.05Å; F92-F288 HydrophobicContact CB-CE2 4.06Å; F92-F288 HydrophobicContact CB-CZ 3.78Å; F92-F288 HydrophobicContact CD1-CE2 4.07Å; F92-F288 HydrophobicContact CG-CE2 4.41Å; F92-Y312 AromaticContact CE2-CE2 3.95Å; F92-Y312 HydrophobicContact CE2-CE2 3.95Å; F92-Y312 AromaticContact CZ-CE2 3.87Å; F92-Y312 HydrophobicContact CZ-CE2 3.87Å |
| 93 | Y | 95.9 | Very high | 91.6 | Very high | 16 Ų | 16 | 35 Ų | 35 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | trans | -82.4 | 107.6 | 179.1 | -67.8 | -113.7 | 0 | 0 | 0 | 108.6 | V90 Q112 D116 Y201 G202 R204 | V90-Y93 HydrophobicContact CB-CD2 4.43Å; V90-Y93 HydrophobicContact CB-CE1 4.36Å; V90-Y93 HydrophobicContact CB-CE2 3.91Å; V90-Y93 HydrophobicContact CG1-CD1 4.26Å; V90-Y93 HydrophobicContact CG1-CD2 3.72Å; V90-Y93 HydrophobicContact CG1-CE1 4.3Å; V90-Y93 HydrophobicContact CG1-CE2 3.71Å; V90-Y93 HydrophobicContact CG1-CG 3.95Å; V90-Y93 VanDerWaalsContact O-CE2 3.28Å; V90-Y93 WeakPolarHBondContact O-CE2 3.32Å; Y93-Q112 HydrophobicContact CE1-CG 3.87Å; Y93-Q112 WeakPolarHBondContact OH-CG 3.3Å; Y93-Q112 PolarHBondContact OH-NE2 2.66Å; Y93-D116 PolarHBondContact OH-OD2 2.67Å; Y93-Y201 HydrophobicContact CD1-CD2 4.46Å; Y93-Y201 HydrophobicContact CD1-CE2 4.1Å; Y93-G202 VanDerWaalsContact CG-CA 3.45Å; Y93-R204 PolarHBondContact OH-NH2 2.75Å | ||
| 94 | T | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -66 | 139 | 178.5 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | F92 H96 L100 F109 Y201 E317 | F92-T94 PolarHBondContact O-N 3.46Å; T94-H96 VanDerWaalsContact C-N 3.27Å; T94-H96 PolarHBondContact OG1-N 3.1Å; T94-L100 HydrophobicContact CG2-CD1 4.01Å; T94-L100 HydrophobicContact CG2-CD2 3.87Å; T94-L100 HydrophobicContact CG2-CG 3.96Å; T94-F109 HydrophobicContact CG2-CE1 4.24Å; T94-F109 HydrophobicContact CG2-CZ 4.32Å; T94-Y201 WeakPolarHBondContact O-CE1 3.32Å; T94-Y201 PolarHBondContact O-OH 3.42Å; T94-E317 PolarHBondContact OG1-OE1 2.92Å; T94-E317 VanDerWaalsContact OG1-OE1 3.12Å | ||
| 95 | P | 92 | Very high | 92.6 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -74.8 | -11 | 173 | 25.9 | -30.4 | 0 | 0 | 0 | 114.5 | R196 H222 | P95-R196 VanDerWaalsContact O-CD 3.26Å; P95-R196 WeakPolarHBondContact O-CD 3.47Å; P95-H222 HydrophobicContact CG-CB 4.35Å |
| 96 | H | 91.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 28.3 Ų | 28.3 | 44% | 0.444 | 14% | 0.141 | S | C | . | . | trans | -130.9 | 95.9 | -175.8 | -55.5 | -73.4 | 0 | 0 | 0 | 110.2 | T94 N98 L99 | T94-H96 VanDerWaalsContact C-N 3.27Å; T94-H96 PolarHBondContact OG1-N 3.1Å; H96-N98 PolarHBondContact O-N 3.42Å; H96-N98 VanDerWaalsContact O-N 3.09Å; H96-L99 HydrophobicContact CB-CD1 3.71Å; H96-L99 HydrophobicContact CB-CG 3.83Å; H96-L99 WeakPolarHBondContact O-CB 3.26Å; H96-L99 PolarHBondContact O-N 2.77Å | ||
| 97 | P | 90.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -62.6 | -18.9 | -179.6 | 25.8 | -34.5 | 0 | 0 | 0 | 113 | L99 L100 F189 L192 | P97-L99 PolarHBondContact O-N 3.15Å; P97-L100 WeakPolarHBondContact O-CB 3.21Å; P97-L100 PolarHBondContact O-N 3.31Å; P97-L100 VanDerWaalsContact O-N 3.08Å; P97-F189 HydrophobicContact CB-CE2 4.46Å; P97-F189 HydrophobicContact CG-CE2 4.36Å; P97-L192 HydrophobicContact CB-CB 3.83Å; P97-L192 HydrophobicContact CB-CD1 4.3Å; P97-L192 HydrophobicContact CG-CB 4.21Å |
| 98 | N | 88.7 | Confident | 92.9 | Very high | 112 Ų | 112 | 28.1 Ų | 28.1 | 60% | 0.599 | 14% | 0.14 | S | C | * | . | G | 310 helix | trans | -60.8 | -20.5 | 172 | -49.8 | 34.3 | 0 | 0 | 0 | 113 | H96 L100 F189 | H96-N98 PolarHBondContact O-N 3.42Å; H96-N98 VanDerWaalsContact O-N 3.09Å; N98-L100 VanDerWaalsContact C-N 3.29Å; N98-F189 WeakPolarHBondContact OD1-CZ 3.49Å |
| 99 | L | 88.8 | Confident | 92.9 | Very high | 56 Ų | 56 | 28.1 Ų | 28.1 | 29% | 0.293 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -81.8 | -7 | 176.1 | -59.5 | 173.1 | 0 | 0 | 0 | 113.1 | H96 P97 E101 | H96-L99 HydrophobicContact CB-CD1 3.71Å; H96-L99 HydrophobicContact CB-CG 3.83Å; H96-L99 WeakPolarHBondContact O-CB 3.26Å; H96-L99 PolarHBondContact O-N 2.77Å; P97-L99 PolarHBondContact O-N 3.15Å; L99-E101 PolarHBondContact O-N 3.22Å |
| 100 | L | 91.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | trans | -92.2 | 84.3 | -179 | -55.5 | -178.9 | 0 | 0 | 0 | 110 | Y53 T94 P97 N98 E102 T105 R106 F109 | Y53-L100 HydrophobicContact CD2-CD2 3.94Å; Y53-L100 HydrophobicContact CE1-CD2 4.48Å; Y53-L100 HydrophobicContact CE2-CD2 3.32Å; T94-L100 HydrophobicContact CG2-CD1 4.01Å; T94-L100 HydrophobicContact CG2-CD2 3.87Å; T94-L100 HydrophobicContact CG2-CG 3.96Å; P97-L100 WeakPolarHBondContact O-CB 3.21Å; P97-L100 PolarHBondContact O-N 3.31Å; P97-L100 VanDerWaalsContact O-N 3.08Å; N98-L100 VanDerWaalsContact C-N 3.29Å; L100-E102 PolarHBondContact O-N 3.47Å; L100-T105 HydrophobicContact CB-CG2 4.39Å; L100-T105 HydrophobicContact CD1-CG2 4.35Å; L100-T105 HydrophobicContact CD2-CG2 3.92Å; L100-T105 HydrophobicContact CG-CG2 4.45Å; L100-R106 HydrophobicContact CB-CG 3.62Å; L100-R106 HydrophobicContact CD1-CG 3.98Å; L100-R106 HydrophobicContact CG-CG 4.45Å; L100-R106 PolarHBondContact O-NE 3.32Å; L100-F109 HydrophobicContact CD1-CD1 4.31Å; L100-F109 HydrophobicContact CD1-CD2 3.86Å; L100-F109 HydrophobicContact CD1-CE1 4.47Å; L100-F109 HydrophobicContact CD1-CE2 4.04Å; L100-F109 HydrophobicContact CD1-CG 4Å; L100-F109 HydrophobicContact CD1-CZ 4.34Å; L100-F109 HydrophobicContact CD2-CE2 4.33Å | ||
| 101 | E | 88.2 | Confident | 92.8 | Very high | 106 Ų | 106 | 28.8 Ų | 28.8 | 50% | 0.495 | 14% | 0.144 | S | C | . | . | trans | -57.8 | -47.9 | -177.1 | -65.1 | -84 | -169.7 | 0 | 0 | 111.3 | E50 L99 A103 R106 V324 | E50-E101 PolarHBondContact OE2-N 3.14Å; L99-E101 PolarHBondContact O-N 3.22Å; E101-A103 PolarHBondContact O-N 3.44Å; E101-R106 PolarHBondContact O-NH2 2.97Å; E101-R106 VanDerWaalsContact O-NH2 3.08Å; E101-V324 HydrophobicContact CB-CG1 3.7Å; E101-V324 HydrophobicContact CG-CG1 3.63Å | ||
| 102 | E | 88.9 | Confident | 92.8 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 15% | 0.145 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -78.3 | 121.6 | -173.7 | 174.9 | 168.8 | -128.9 | 0 | 0 | 111.2 | L49 E50 L100 Y104 T105 R106 R331 | L49-E102 WeakPolarHBondContact CB-OE2 3.31Å; L49-E102 PolarHBondContact N-OE2 2.8Å; E50-E102 WeakPolarHBondContact OE2-CB 3.42Å; E50-E102 PolarHBondContact OE2-N 3.19Å; L100-E102 PolarHBondContact O-N 3.47Å; E102-Y104 PolarHBondContact O-N 2.74Å; E102-T105 WeakPolarHBondContact CB-OG1 3.27Å; E102-T105 WeakPolarHBondContact O-CA 3.38Å; E102-T105 WeakPolarHBondContact O-CB 3.45Å; E102-T105 PolarHBondContact O-N 3.41Å; E102-T105 PolarHBondContact O-OG1 2.68Å; E102-R106 PolarHBondContact O-N 3.14Å; E102-R331 WeakPolarHBondContact OE1-CD 3.35Å; E102-R331 IonicContact OE1-NE 2.89Å; E102-R331 PolarHBondContact OE1-NE 3.4Å |
| 103 | A | 88.9 | Confident | 92.8 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 26% | 0.256 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.1 | -28.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | E101 R106 Y107 F334 | E101-A103 PolarHBondContact O-N 3.44Å; A103-R106 PolarHBondContact O-N 2.91Å; A103-Y107 PolarHBondContact O-N 3.39Å; A103-F334 HydrophobicContact CB-CD1 4.49Å |
| 104 | Y | 92 | Very high | 92.8 | Very high | 35 Ų | 35 | 29.5 Ų | 29.5 | 14% | 0.137 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.8 | -38.3 | 172.4 | -176.1 | -126.7 | 0 | 0 | 0 | 112 | F46 L48 E102 R106 Y107 L108 F334 | F46-Y104 HydrophobicContact CB-CE1 4.4Å; F46-Y104 VanDerWaalsContact O-CE1 3.27Å; F46-Y104 WeakPolarHBondContact O-CE1 3.46Å; L48-Y104 HydrophobicContact CD1-CD1 4.09Å; L48-Y104 HydrophobicContact CD1-CE1 4.49Å; E102-Y104 PolarHBondContact O-N 2.74Å; Y104-R106 PolarHBondContact O-N 3.24Å; Y104-Y107 AromaticContact CD2-CD1 3.95Å; Y104-Y107 HydrophobicContact CD2-CD1 3.95Å; Y104-Y107 HydrophobicContact CE2-CD1 4.02Å; Y104-Y107 HydrophobicContact CE2-CE1 4.42Å; Y104-Y107 WeakPolarHBondContact O-CB 3.38Å; Y104-Y107 PolarHBondContact O-N 2.98Å; Y104-L108 HydrophobicContact CD1-CD1 4Å; Y104-L108 HydrophobicContact CD2-CG 4.38Å; Y104-L108 HydrophobicContact CE1-CD1 3.7Å; Y104-L108 HydrophobicContact CE1-CG 4.33Å; Y104-L108 HydrophobicContact CE2-CD1 4.38Å; Y104-L108 HydrophobicContact CE2-CD2 4.1Å; Y104-L108 HydrophobicContact CE2-CG 4.11Å; Y104-L108 HydrophobicContact CG-CD1 4.46Å; Y104-L108 VanDerWaalsContact O-CG 3.31Å; Y104-L108 WeakPolarHBondContact O-CG 3.38Å; Y104-L108 PolarHBondContact O-N 3.38Å; Y104-F334 HydrophobicContact CD2-CD1 4.45Å; Y104-F334 AromaticContact CD2-CD2 3.65Å; Y104-F334 HydrophobicContact CD2-CD2 3.65Å; Y104-F334 HydrophobicContact CD2-CE1 4.22Å; Y104-F334 AromaticContact CD2-CE2 3.39Å; Y104-F334 HydrophobicContact CD2-CE2 3.39Å; Y104-F334 HydrophobicContact CD2-CG 4.19Å; Y104-F334 AromaticContact CD2-CZ 3.7Å; Y104-F334 HydrophobicContact CD2-CZ 3.7Å; Y104-F334 HydrophobicContact CE2-CD2 4.46Å; Y104-F334 AromaticContact CE2-CE2 3.91Å; Y104-F334 HydrophobicContact CE2-CE2 3.91Å; Y104-F334 HydrophobicContact CE2-CZ 4.3Å; Y104-F334 HydrophobicContact CG-CD2 4.17Å; Y104-F334 HydrophobicContact CG-CE2 4.34Å; Y104-F334 HydrophobicContact CG-CG 4.46Å |
| 105 | T | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 172.4 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | E50 Y53 F54 L100 E102 Y107 L108 F109 | E50-T105 HydrophobicContact CB-CG2 3.9Å; E50-T105 HydrophobicContact CG-CG2 4.46Å; E50-T105 WeakPolarHBondContact OE2-CB 3.36Å; E50-T105 PolarHBondContact OE2-OG1 2.84Å; Y53-T105 HydrophobicContact CD2-CG2 4.37Å; F54-T105 HydrophobicContact CE2-CG2 4.03Å; F54-T105 HydrophobicContact CZ-CG2 4.19Å; L100-T105 HydrophobicContact CB-CG2 4.39Å; L100-T105 HydrophobicContact CD1-CG2 4.35Å; L100-T105 HydrophobicContact CD2-CG2 3.92Å; L100-T105 HydrophobicContact CG-CG2 4.45Å; E102-T105 WeakPolarHBondContact CB-OG1 3.27Å; E102-T105 WeakPolarHBondContact O-CA 3.38Å; E102-T105 WeakPolarHBondContact O-CB 3.45Å; E102-T105 PolarHBondContact O-N 3.41Å; E102-T105 PolarHBondContact O-OG1 2.68Å; T105-Y107 PolarHBondContact O-N 3.43Å; T105-L108 PolarHBondContact O-N 3.45Å; T105-F109 HydrophobicContact CG2-CD2 4.05Å; T105-F109 HydrophobicContact CG2-CE2 4.09Å; T105-F109 WeakPolarHBondContact O-CD2 3.5Å; T105-F109 PolarHBondContact O-N 2.87Å |
| 106 | R | 94.2 | Very high | 93 | Very high | 44 Ų | 44 | 30.5 Ų | 30.5 | 17% | 0.166 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.6 | -77.1 | 179.1 | -85.1 | 126.2 | -5.3 | 112.5 | L100 E101 E102 A103 Y104 F109 A110 L192 | L100-R106 HydrophobicContact CB-CG 3.62Å; L100-R106 HydrophobicContact CD1-CG 3.98Å; L100-R106 HydrophobicContact CG-CG 4.45Å; L100-R106 PolarHBondContact O-NE 3.32Å; E101-R106 PolarHBondContact O-NH2 2.97Å; E101-R106 VanDerWaalsContact O-NH2 3.08Å; E102-R106 PolarHBondContact O-N 3.14Å; A103-R106 PolarHBondContact O-N 2.91Å; Y104-R106 PolarHBondContact O-N 3.24Å; R106-F109 PolarHBondContact O-N 3.28Å; R106-A110 PolarHBondContact O-N 2.8Å; R106-L192 HydrophobicContact CB-CD1 4.24Å; R106-L192 HydrophobicContact CG-CD1 4.2Å |
| 107 | Y | 94.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 172.5 | 170.6 | -118.1 | 0 | 0 | 0 | 112.9 | A103 Y104 T105 F109 A110 L111 F334 R336 | A103-Y107 PolarHBondContact O-N 3.39Å; Y104-Y107 AromaticContact CD2-CD1 3.95Å; Y104-Y107 HydrophobicContact CD2-CD1 3.95Å; Y104-Y107 HydrophobicContact CE2-CD1 4.02Å; Y104-Y107 HydrophobicContact CE2-CE1 4.42Å; Y104-Y107 WeakPolarHBondContact O-CB 3.38Å; Y104-Y107 PolarHBondContact O-N 2.98Å; T105-Y107 PolarHBondContact O-N 3.43Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 2.78Å; Y107-A110 WeakPolarHBondContact O-CB 3.48Å; Y107-A110 PolarHBondContact O-N 3.31Å; Y107-A110 VanDerWaalsContact O-N 3.13Å; Y107-L111 HydrophobicContact CD1-CD1 4.22Å; Y107-L111 HydrophobicContact CD2-CG 4.31Å; Y107-L111 HydrophobicContact CE1-CD1 3.68Å; Y107-L111 HydrophobicContact CE1-CG 4.41Å; Y107-L111 HydrophobicContact CE2-CD1 4.06Å; Y107-L111 HydrophobicContact CE2-CD2 4.09Å; Y107-L111 HydrophobicContact CE2-CG 3.92Å; Y107-L111 PolarHBondContact O-N 2.86Å; Y107-F334 AromaticContact CD1-CE1 3.81Å; Y107-F334 HydrophobicContact CD1-CE1 3.81Å; Y107-F334 HydrophobicContact CD1-CE2 4.28Å; Y107-F334 AromaticContact CD1-CZ 3.33Å; Y107-F334 HydrophobicContact CD1-CZ 3.33Å; Y107-F334 AromaticContact CE1-CZ 3.77Å; Y107-F334 HydrophobicContact CE1-CZ 3.77Å; Y107-F334 AromaticContact CG-CE1 3.77Å; Y107-F334 HydrophobicContact CG-CE1 3.77Å; Y107-F334 AromaticContact CG-CZ 3.77Å; Y107-F334 HydrophobicContact CG-CZ 3.77Å; Y107-R336 HydrophobicContact CE2-CG 4.13Å |
| 108 | L | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 176.1 | -68.4 | 171.8 | 0 | 0 | 0 | 111.9 | H19 L20 L48 F54 F88 Y104 T105 L111 Q112 | H19-L108 WeakPolarHBondContact NE2-CD2 3.46Å; L20-L108 HydrophobicContact CB-CD2 4.49Å; L20-L108 HydrophobicContact CD1-CB 4.2Å; L20-L108 HydrophobicContact CD1-CD2 4.26Å; L48-L108 HydrophobicContact CD1-CD1 3.96Å; L48-L108 HydrophobicContact CD2-CD1 4.16Å; F54-L108 HydrophobicContact CE1-CB 3.7Å; F54-L108 HydrophobicContact CE1-CD1 4.21Å; F54-L108 HydrophobicContact CZ-CB 3.71Å; F54-L108 HydrophobicContact CZ-CD1 3.97Å; F88-L108 HydrophobicContact CE1-CD1 4.24Å; F88-L108 HydrophobicContact CE1-CD2 4.47Å; Y104-L108 HydrophobicContact CD1-CD1 4Å; Y104-L108 HydrophobicContact CD2-CG 4.38Å; Y104-L108 HydrophobicContact CE1-CD1 3.7Å; Y104-L108 HydrophobicContact CE1-CG 4.33Å; Y104-L108 HydrophobicContact CE2-CD1 4.38Å; Y104-L108 HydrophobicContact CE2-CD2 4.1Å; Y104-L108 HydrophobicContact CE2-CG 4.11Å; Y104-L108 HydrophobicContact CG-CD1 4.46Å; Y104-L108 VanDerWaalsContact O-CG 3.31Å; Y104-L108 WeakPolarHBondContact O-CG 3.38Å; Y104-L108 PolarHBondContact O-N 3.38Å; T105-L108 PolarHBondContact O-N 3.45Å; L108-L111 HydrophobicContact CD2-CD1 4.48Å; L108-L111 PolarHBondContact O-N 2.79Å; L108-Q112 PolarHBondContact O-N 3.36Å |
| 109 | F | 96.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 171.4 | -95.3 | -103.2 | 0 | 0 | 0 | 112.1 | Y53 F54 V90 T94 L100 T105 R106 Y107 Q112 I113 L192 | Y53-F109 HydrophobicContact CD1-CZ 4.44Å; Y53-F109 HydrophobicContact CD2-CE2 4.39Å; Y53-F109 HydrophobicContact CG-CE2 4.22Å; Y53-F109 HydrophobicContact CG-CZ 4.24Å; F54-F109 HydrophobicContact CE1-CD2 4.39Å; F54-F109 HydrophobicContact CE2-CE2 4.22Å; F54-F109 AromaticContact CZ-CD2 3.79Å; F54-F109 HydrophobicContact CZ-CD2 3.79Å; F54-F109 AromaticContact CZ-CE2 3.85Å; F54-F109 HydrophobicContact CZ-CE2 3.85Å; V90-F109 HydrophobicContact CG1-CE1 3.89Å; V90-F109 HydrophobicContact CG1-CE2 4.34Å; V90-F109 HydrophobicContact CG1-CZ 3.75Å; V90-F109 HydrophobicContact CG2-CD1 4.46Å; V90-F109 HydrophobicContact CG2-CD2 4.25Å; V90-F109 HydrophobicContact CG2-CE1 4.49Å; V90-F109 HydrophobicContact CG2-CE2 4.28Å; V90-F109 HydrophobicContact CG2-CG 4.35Å; V90-F109 HydrophobicContact CG2-CZ 4.4Å; T94-F109 HydrophobicContact CG2-CE1 4.24Å; T94-F109 HydrophobicContact CG2-CZ 4.32Å; L100-F109 HydrophobicContact CD1-CD1 4.31Å; L100-F109 HydrophobicContact CD1-CD2 3.86Å; L100-F109 HydrophobicContact CD1-CE1 4.47Å; L100-F109 HydrophobicContact CD1-CE2 4.04Å; L100-F109 HydrophobicContact CD1-CG 4Å; L100-F109 HydrophobicContact CD1-CZ 4.34Å; L100-F109 HydrophobicContact CD2-CE2 4.33Å; T105-F109 HydrophobicContact CG2-CD2 4.05Å; T105-F109 HydrophobicContact CG2-CE2 4.09Å; T105-F109 WeakPolarHBondContact O-CD2 3.5Å; T105-F109 PolarHBondContact O-N 2.87Å; R106-F109 PolarHBondContact O-N 3.28Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 2.78Å; F109-Q112 WeakPolarHBondContact O-CB 3.23Å; F109-Q112 PolarHBondContact O-N 2.78Å; F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.66Å; F109-L192 HydrophobicContact CB-CD1 3.89Å; F109-L192 HydrophobicContact CB-CD2 3.84Å |
| 110 | A | 96 | Very high | 93.4 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 5% | 0.05 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R106 Y107 Q112 I113 K114 D188 L191 | R106-A110 PolarHBondContact O-N 2.8Å; Y107-A110 WeakPolarHBondContact O-CB 3.48Å; Y107-A110 PolarHBondContact O-N 3.31Å; Y107-A110 VanDerWaalsContact O-N 3.13Å; A110-Q112 PolarHBondContact O-N 3.4Å; A110-I113 PolarHBondContact O-N 2.81Å; A110-K114 PolarHBondContact O-N 2.87Å; A110-D188 HydrophobicContact CB-CB 4.33Å; A110-D188 VanDerWaalsContact CB-OD1 3.23Å; A110-D188 WeakPolarHBondContact CB-OD1 3.5Å; A110-L191 HydrophobicContact CB-CD1 4.29Å; A110-L191 HydrophobicContact CB-CD2 4.27Å |
| 111 | L | 95.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 7% | 0.068 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 171.8 | -71.6 | 176.7 | 0 | 0 | 0 | 112.3 | L20 D21 Y107 L108 I113 K114 R115 | L20-L111 HydrophobicContact CB-CB 3.91Å; L20-L111 HydrophobicContact CB-CD1 4.03Å; D21-L111 HydrophobicContact CB-CD1 4.18Å; Y107-L111 HydrophobicContact CD1-CD1 4.22Å; Y107-L111 HydrophobicContact CD2-CG 4.31Å; Y107-L111 HydrophobicContact CE1-CD1 3.68Å; Y107-L111 HydrophobicContact CE1-CG 4.41Å; Y107-L111 HydrophobicContact CE2-CD1 4.06Å; Y107-L111 HydrophobicContact CE2-CD2 4.09Å; Y107-L111 HydrophobicContact CE2-CG 3.92Å; Y107-L111 PolarHBondContact O-N 2.86Å; L108-L111 HydrophobicContact CD2-CD1 4.48Å; L108-L111 PolarHBondContact O-N 2.79Å; L111-I113 VanDerWaalsContact C-N 3.34Å; L111-I113 PolarHBondContact O-N 3.47Å; L111-K114 WeakPolarHBondContact O-CB 3.31Å; L111-K114 PolarHBondContact O-N 3.3Å; L111-R115 WeakPolarHBondContact O-CB 3.27Å; L111-R115 PolarHBondContact O-N 2.86Å |
| 112 | Q | 96.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 173.8 | 179.2 | 70 | 74 | 0 | 0 | 111.8 | L20 V90 Y93 L108 F109 A110 R115 D116 | L20-Q112 HydrophobicContact CD2-CB 4.28Å; V90-Q112 HydrophobicContact CB-CG 3.94Å; V90-Q112 HydrophobicContact CG2-CB 3.78Å; V90-Q112 HydrophobicContact CG2-CG 3.71Å; Y93-Q112 HydrophobicContact CE1-CG 3.87Å; Y93-Q112 WeakPolarHBondContact OH-CG 3.3Å; Y93-Q112 PolarHBondContact OH-NE2 2.66Å; L108-Q112 PolarHBondContact O-N 3.36Å; F109-Q112 WeakPolarHBondContact O-CB 3.23Å; F109-Q112 PolarHBondContact O-N 2.78Å; A110-Q112 PolarHBondContact O-N 3.4Å; Q112-R115 WeakPolarHBondContact O-CB 3.26Å; Q112-R115 PolarHBondContact O-N 2.89Å; Q112-D116 PolarHBondContact NE2-OD1 3.43Å; Q112-D116 VanDerWaalsContact NE2-OD1 3.15Å; Q112-D116 PolarHBondContact NE2-OD2 3.46Å; Q112-D116 WeakPolarHBondContact O-CB 3.27Å; Q112-D116 PolarHBondContact O-N 2.97Å |
| 113 | I | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.5 | -38.1 | 176.2 | -63.6 | -60.4 | 0 | 0 | 0 | 111.7 | F109 A110 L111 R115 D116 L117 L122 L132 L191 L192 A195 Y201 | F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.66Å; A110-I113 PolarHBondContact O-N 2.81Å; L111-I113 VanDerWaalsContact C-N 3.34Å; L111-I113 PolarHBondContact O-N 3.47Å; I113-R115 VanDerWaalsContact C-N 3.33Å; I113-R115 PolarHBondContact O-N 2.85Å; I113-D116 PolarHBondContact O-N 3.12Å; I113-L117 HydrophobicContact CG2-CD1 4.21Å; I113-L117 WeakPolarHBondContact O-CG 3.19Å; I113-L117 PolarHBondContact O-N 2.99Å; I113-L122 HydrophobicContact CD1-CD2 4.38Å; I113-L122 HydrophobicContact CG2-CD2 4.09Å; I113-L132 HydrophobicContact CG2-CD1 4.39Å; I113-L191 HydrophobicContact CB-CD2 3.91Å; I113-L191 HydrophobicContact CG1-CD2 4.16Å; I113-L191 HydrophobicContact CG2-CD2 3.84Å; I113-L192 HydrophobicContact CG1-CD2 4.11Å; I113-A195 HydrophobicContact CD1-CB 4.16Å; I113-A195 HydrophobicContact CG1-CB 4.26Å; I113-A195 HydrophobicContact CG2-CB 4.3Å; I113-Y201 HydrophobicContact CD1-CD2 3.97Å; I113-Y201 HydrophobicContact CD1-CE2 3.96Å |
| 114 | K | 95.3 | Very high | 94 | Very high | 39 Ų | 39 | 21.1 Ų | 21.1 | 17% | 0.17 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.6 | -49.1 | 169.1 | -176.5 | 177.3 | -174.6 | 175.9 | 0 | 110.8 | A110 L111 D116 L117 V118 I136 E140 L158 | A110-K114 PolarHBondContact O-N 2.87Å; L111-K114 WeakPolarHBondContact O-CB 3.31Å; L111-K114 PolarHBondContact O-N 3.3Å; K114-D116 VanDerWaalsContact C-N 3.32Å; K114-D116 PolarHBondContact O-N 2.99Å; K114-L117 PolarHBondContact O-N 3.2Å; K114-V118 VanDerWaalsContact O-CG2 3.26Å; K114-V118 WeakPolarHBondContact O-CG2 3.04Å; K114-V118 PolarHBondContact O-N 3.32Å; K114-I136 HydrophobicContact CB-CD1 3.73Å; K114-I136 HydrophobicContact CD-CG2 3.86Å; K114-I136 HydrophobicContact CG-CD1 4.01Å; K114-I136 HydrophobicContact CG-CG2 4.3Å; K114-E140 WeakPolarHBondContact CD-OE1 3.36Å; K114-E140 WeakPolarHBondContact CE-OE1 3.44Å; K114-E140 IonicContact NZ-OE1 2.75Å; K114-E140 PolarHBondContact NZ-OE1 2.81Å; K114-E140 IonicContact NZ-OE2 2.76Å; K114-E140 PolarHBondContact NZ-OE2 3.46Å; K114-L158 VanDerWaalsContact CE-O 3.32Å; K114-L158 WeakPolarHBondContact CE-O 3.45Å; K114-L158 PolarHBondContact NZ-O 3.35Å |
| 115 | R | 94.4 | Very high | 94.1 | Very high | 37 Ų | 37 | 21.9 Ų | 21.9 | 14% | 0.14 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | 176.8 | -169.1 | -176.4 | -165 | 80.9 | 18.8 | 112.2 | D22 L111 Q112 I113 V118 T119 | D22-R115 IonicContact OD1-CZ 2.71Å; D22-R115 IonicContact OD1-NH1 3.96Å; D22-R115 PolarHBondContact OD1-NH1 3.25Å; L111-R115 WeakPolarHBondContact O-CB 3.27Å; L111-R115 PolarHBondContact O-N 2.86Å; Q112-R115 WeakPolarHBondContact O-CB 3.26Å; Q112-R115 PolarHBondContact O-N 2.89Å; I113-R115 VanDerWaalsContact C-N 3.33Å; I113-R115 PolarHBondContact O-N 2.85Å; R115-V118 PolarHBondContact O-N 3.41Å; R115-T119 HydrophobicContact CG-CG2 4.43Å; R115-T119 WeakPolarHBondContact O-CB 3.4Å; R115-T119 WeakPolarHBondContact O-CG2 3.5Å; R115-T119 PolarHBondContact O-N 3.03Å; R115-T119 PolarHBondContact O-OG1 2.89Å |
| 116 | D | 94.6 | Very high | 94 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.3 | -30.5 | -177.4 | -68.4 | -23.3 | 0 | 0 | 0 | 113.1 | Y93 Q112 I113 K114 T119 G120 T121 L122 R204 | Y93-D116 PolarHBondContact OH-OD2 2.67Å; Q112-D116 PolarHBondContact NE2-OD1 3.43Å; Q112-D116 VanDerWaalsContact NE2-OD1 3.15Å; Q112-D116 PolarHBondContact NE2-OD2 3.46Å; Q112-D116 WeakPolarHBondContact O-CB 3.27Å; Q112-D116 PolarHBondContact O-N 2.97Å; I113-D116 PolarHBondContact O-N 3.12Å; K114-D116 VanDerWaalsContact C-N 3.32Å; K114-D116 PolarHBondContact O-N 2.99Å; D116-T119 WeakPolarHBondContact CA-OG1 3.42Å; D116-T119 PolarHBondContact O-OG1 3.2Å; D116-G120 PolarHBondContact O-N 3.37Å; D116-T121 WeakPolarHBondContact CA-OG1 3.35Å; D116-T121 PolarHBondContact O-N 3.31Å; D116-T121 PolarHBondContact O-OG1 3.45Å; D116-T121 PolarHBondContact OD1-OG1 3.24Å; D116-L122 HydrophobicContact CB-CB 3.9Å; D116-L122 PolarHBondContact O-N 3.42Å; D116-L122 VanDerWaalsContact O-N 3.09Å; D116-R204 IonicContact OD1-CZ 2.66Å; D116-R204 VanDerWaalsContact OD1-CZ 3.32Å; D116-R204 IonicContact OD1-NH1 3.5Å; D116-R204 PolarHBondContact OD1-NH1 3.32Å; D116-R204 IonicContact OD1-NH2 3.29Å; D116-R204 PolarHBondContact OD1-NH2 3.4Å; D116-R204 IonicContact OD2-CZ 3.85Å; D116-R204 IonicContact OD2-NH1 2.74Å; D116-R204 IonicContact OD2-NH2 2.66Å; D116-R204 PolarHBondContact OD2-NH2 3.4Å |
| 117 | L | 94.3 | Very high | 94 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.9 | -37.9 | 169.6 | -71.4 | 168.3 | 0 | 0 | 0 | 112.9 | I113 K114 G120 L122 A129 L132 I136 H162 | I113-L117 HydrophobicContact CG2-CD1 4.21Å; I113-L117 WeakPolarHBondContact O-CG 3.19Å; I113-L117 PolarHBondContact O-N 2.99Å; K114-L117 PolarHBondContact O-N 3.2Å; L117-G120 PolarHBondContact O-N 2.95Å; L117-L122 HydrophobicContact CD2-CD2 4.08Å; L117-L122 HydrophobicContact CG-CD2 4.27Å; L117-A129 HydrophobicContact CD2-CB 4.43Å; L117-L132 HydrophobicContact CD1-CB 3.75Å; L117-L132 HydrophobicContact CD1-CD1 4.2Å; L117-L132 HydrophobicContact CD2-CD1 4.16Å; L117-I136 HydrophobicContact CD1-CD1 3.96Å; L117-H162 WeakPolarHBondContact O-CB 3.48Å; L117-H162 PolarHBondContact O-N 3.22Å |
| 118 | V | 92.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 29.2 Ų | 29.2 | 32% | 0.321 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -72.7 | -40.2 | 179.1 | 171.4 | 0 | 0 | 0 | 0 | 112 | K114 R115 G120 K159 H162 | K114-V118 VanDerWaalsContact O-CG2 3.26Å; K114-V118 WeakPolarHBondContact O-CG2 3.04Å; K114-V118 PolarHBondContact O-N 3.32Å; R115-V118 PolarHBondContact O-N 3.41Å; V118-G120 PolarHBondContact O-N 3.43Å; V118-K159 WeakPolarHBondContact CG2-O 3.48Å; V118-H162 WeakPolarHBondContact O-CA 3.48Å; V118-H162 WeakPolarHBondContact O-CB 3.38Å |
| 119 | T | 90.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.8 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | R115 D116 T121 M517 L521 | R115-T119 HydrophobicContact CG-CG2 4.43Å; R115-T119 WeakPolarHBondContact O-CB 3.4Å; R115-T119 WeakPolarHBondContact O-CG2 3.5Å; R115-T119 PolarHBondContact O-N 3.03Å; R115-T119 PolarHBondContact O-OG1 2.89Å; D116-T119 WeakPolarHBondContact CA-OG1 3.42Å; D116-T119 PolarHBondContact O-OG1 3.2Å; T119-T121 PolarHBondContact O-N 3.48Å; T119-T121 PolarHBondContact OG1-OG1 3.17Å; T119-M517 WeakPolarHBondContact O-CE 3.42Å; T119-L521 HydrophobicContact CG2-CD1 4.26Å |
| 120 | G | 89.4 | Confident | 94 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 18.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D116 L117 V118 L123 | D116-G120 PolarHBondContact O-N 3.37Å; L117-G120 PolarHBondContact O-N 2.95Å; V118-G120 PolarHBondContact O-N 3.43Å; G120-L123 WeakPolarHBondContact O-CD2 3.47Å |
| 121 | T | 90.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | trans | -87.1 | -25 | -178 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | D116 T119 L123 R204 | D116-T121 WeakPolarHBondContact CA-OG1 3.35Å; D116-T121 PolarHBondContact O-N 3.31Å; D116-T121 PolarHBondContact O-OG1 3.45Å; D116-T121 PolarHBondContact OD1-OG1 3.24Å; T119-T121 PolarHBondContact O-N 3.48Å; T119-T121 PolarHBondContact OG1-OG1 3.17Å; T121-L123 PolarHBondContact O-N 3.01Å; T121-R204 PolarHBondContact OG1-NH1 2.72Å | ||
| 122 | L | 94 | Very high | 94.1 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -85.7 | 92.2 | 167.3 | -178.7 | 59.7 | 0 | 0 | 0 | 109.9 | I113 D116 L117 C124 L132 I198 F200 | I113-L122 HydrophobicContact CD1-CD2 4.38Å; I113-L122 HydrophobicContact CG2-CD2 4.09Å; D116-L122 HydrophobicContact CB-CB 3.9Å; D116-L122 PolarHBondContact O-N 3.42Å; D116-L122 VanDerWaalsContact O-N 3.09Å; L117-L122 HydrophobicContact CD2-CD2 4.08Å; L117-L122 HydrophobicContact CG-CD2 4.27Å; L122-C124 PolarHBondContact O-N 3.25Å; L122-L132 HydrophobicContact CD2-CD1 3.92Å; L122-I198 HydrophobicContact CD1-CB 4.35Å; L122-I198 HydrophobicContact CD1-CG2 3.86Å; L122-I198 HydrophobicContact CD2-CD1 4.3Å; L122-F200 HydrophobicContact CD1-CB 4.25Å |
| 123 | L | 92.8 | Very high | 94.1 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | trans | -73.2 | 120.2 | 176.9 | -56.6 | -179.9 | 0 | 0 | 0 | 110.6 | G120 T121 I198 F200 L231 | G120-L123 WeakPolarHBondContact O-CD2 3.47Å; T121-L123 PolarHBondContact O-N 3.01Å; L123-I198 WeakPolarHBondContact O-CG2 3.41Å; L123-F200 HydrophobicContact CB-CB 4.18Å; L123-F200 HydrophobicContact CB-CD1 4.27Å; L123-F200 HydrophobicContact CB-CD2 3.78Å; L123-F200 HydrophobicContact CB-CE2 4.27Å; L123-F200 HydrophobicContact CB-CG 3.79Å; L123-F200 HydrophobicContact CD1-CD1 4.07Å; L123-F200 HydrophobicContact CD1-CE1 3.89Å; L123-F200 HydrophobicContact CD1-CE2 4.39Å; L123-F200 HydrophobicContact CD1-CG 4.4Å; L123-F200 HydrophobicContact CD1-CZ 4.07Å; L123-F200 HydrophobicContact CG-CD1 4.31Å; L123-F200 HydrophobicContact CG-CG 4.32Å; L123-L231 HydrophobicContact CD1-CD1 4.04Å; L123-L231 HydrophobicContact CD1-CD2 4.27Å | ||
| 124 | C | 93.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 30.3 Ų | 30.3 | 28% | 0.284 | 17% | 0.172 | S | C | . | . | trans | -153.4 | 171.8 | 179.5 | 63.9 | 0 | 0 | 0 | 0 | 111.4 | L122 T128 I198 | L122-C124 PolarHBondContact O-N 3.25Å; C124-T128 HydrophobicContact CB-CG2 4.18Å; C124-I198 HydrophobicContact CB-CD1 3.97Å; C124-I198 HydrophobicContact CB-CG2 3.82Å | ||
| 125 | S | 93.9 | Very high | 94.2 | Very high | 50 Ų | 50 | 30 Ų | 30 | 35% | 0.35 | 17% | 0.17 | S | C | . | . | trans | -66.5 | 154.5 | 177.4 | 88.2 | 0 | 0 | 0 | 0 | 111.5 | N127 T128 A129 | S125-N127 PolarHBondContact O-N 2.86Å; S125-T128 WeakPolarHBondContact O-CB 3.34Å; S125-T128 PolarHBondContact O-N 3.44Å; S125-T128 PolarHBondContact OG-N 2.88Å; S125-T128 VanDerWaalsContact OG-N 3.09Å; S125-T128 PolarHBondContact OG-OG1 3.46Å; S125-A129 PolarHBondContact O-N 3.46Å | ||
| 126 | E | 92.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 28.5 Ų | 28.5 | 38% | 0.379 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59 | -35.4 | -180 | -162.9 | -175.6 | -168.8 | 0 | 0 | 112.6 | A130 R168 R171 | E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.04Å; E126-R168 HydrophobicContact CG-CG 4.02Å; E126-R168 WeakPolarHBondContact OE1-CD 3.36Å; E126-R168 WeakPolarHBondContact OE1-CG 3.47Å; E126-R171 VanDerWaalsContact CD-NH2 3.32Å; E126-R171 IonicContact OE1-CZ 3.37Å; E126-R171 IonicContact OE1-NH1 2.74Å; E126-R171 PolarHBondContact OE1-NH1 3.07Å; E126-R171 IonicContact OE1-NH2 2.98Å; E126-R171 PolarHBondContact OE1-NH2 2.91Å; E126-R171 IonicContact OE2-CZ 3.48Å; E126-R171 VanDerWaalsContact OE2-CZ 3.3Å; E126-R171 IonicContact OE2-NH1 3.19Å; E126-R171 PolarHBondContact OE2-NH1 2.61Å; E126-R171 IonicContact OE2-NH2 3.36Å; E126-R171 PolarHBondContact OE2-NH2 3.47Å |
| 127 | N | 95.1 | Very high | 94.3 | Very high | 93 Ų | 93 | 28.1 Ų | 28.1 | 50% | 0.497 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69.1 | -41.7 | 174.2 | -70 | -19.8 | 0 | 0 | 0 | 111.9 | S125 A130 L131 | S125-N127 PolarHBondContact O-N 2.86Å; N127-A130 PolarHBondContact O-N 3.17Å; N127-L131 WeakPolarHBondContact O-CB 2.92Å; N127-L131 PolarHBondContact O-N 3.27Å |
| 128 | T | 95.8 | Very high | 94.4 | Very high | 40 Ų | 40 | 27.8 Ų | 27.8 | 25% | 0.245 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.1 | -46.8 | 0 | 0 | 0 | 0 | 111.2 | C124 S125 A130 L131 L132 I198 | C124-T128 HydrophobicContact CB-CG2 4.18Å; S125-T128 WeakPolarHBondContact O-CB 3.34Å; S125-T128 PolarHBondContact O-N 3.44Å; S125-T128 PolarHBondContact OG-N 2.88Å; S125-T128 VanDerWaalsContact OG-N 3.09Å; S125-T128 PolarHBondContact OG-OG1 3.46Å; T128-A130 VanDerWaalsContact C-N 3.34Å; T128-L131 PolarHBondContact O-N 2.79Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.61Å; T128-I198 HydrophobicContact CG2-CD1 3.57Å; T128-I198 HydrophobicContact CG2-CG1 4.03Å |
| 129 | A | 95.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L117 S125 A133 L161 | L117-A129 HydrophobicContact CD2-CB 4.43Å; S125-A129 PolarHBondContact O-N 3.46Å; A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 3.06Å; A129-A133 PolarHBondContact O-N 2.69Å; A129-L161 HydrophobicContact CB-CD2 4.02Å |
| 130 | A | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E126 N127 T128 S134 R171 V172 F175 | E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.04Å; N127-A130 PolarHBondContact O-N 3.17Å; T128-A130 VanDerWaalsContact C-N 3.34Å; A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 3.29Å; A130-R171 HydrophobicContact CB-CB 3.9Å; A130-V172 HydrophobicContact CB-CG2 3.99Å; A130-F175 HydrophobicContact CB-CD2 4Å; A130-F175 HydrophobicContact CB-CE2 4Å |
| 131 | L | 96.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 26.3 Ų | 26.3 | 22% | 0.215 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -50.2 | 175.5 | 179.3 | 60.6 | 0 | 0 | 0 | 111.6 | N127 T128 A133 S134 Y135 F175 T194 | N127-L131 WeakPolarHBondContact O-CB 2.92Å; N127-L131 PolarHBondContact O-N 3.27Å; T128-L131 PolarHBondContact O-N 2.79Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.29Å; L131-S134 PolarHBondContact O-N 2.96Å; L131-S134 VanDerWaalsContact O-N 3.08Å; L131-S134 PolarHBondContact O-OG 3.34Å; L131-Y135 HydrophobicContact CD1-CD2 4.48Å; L131-Y135 HydrophobicContact CD1-CE2 3.77Å; L131-Y135 HydrophobicContact CD2-CE2 4.46Å; L131-Y135 HydrophobicContact CG-CD2 4.43Å; L131-Y135 HydrophobicContact CG-CE2 3.81Å; L131-Y135 WeakPolarHBondContact O-CD2 3.36Å; L131-Y135 PolarHBondContact O-N 2.86Å; L131-F175 HydrophobicContact CB-CD2 4.41Å; L131-F175 HydrophobicContact CB-CE2 4.35Å; L131-F175 HydrophobicContact CD1-CD1 4.02Å; L131-F175 HydrophobicContact CD1-CE1 4.38Å; L131-F175 HydrophobicContact CD1-CG 4.26Å; L131-T194 HydrophobicContact CD2-CG2 4.1Å |
| 132 | L | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.4 | -44.9 | 175.6 | -70.8 | 178.1 | 0 | 0 | 0 | 111.9 | I113 L117 L122 T128 S134 Y135 I136 L191 T194 A195 I198 | I113-L132 HydrophobicContact CG2-CD1 4.39Å; L117-L132 HydrophobicContact CD1-CB 3.75Å; L117-L132 HydrophobicContact CD1-CD1 4.2Å; L117-L132 HydrophobicContact CD2-CD1 4.16Å; L122-L132 HydrophobicContact CD2-CD1 3.92Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.61Å; L132-S134 VanDerWaalsContact C-N 3.27Å; L132-S134 PolarHBondContact O-N 3.03Å; L132-Y135 PolarHBondContact O-N 2.89Å; L132-I136 WeakPolarHBondContact O-CG1 3.41Å; L132-I136 PolarHBondContact O-N 3.25Å; L132-L191 HydrophobicContact CD2-CG 4.24Å; L132-L191 WeakPolarHBondContact CD2-O 3.44Å; L132-T194 HydrophobicContact CD2-CG2 3.7Å; L132-T194 HydrophobicContact CG-CG2 4.3Å; L132-A195 HydrophobicContact CD2-CB 4.08Å; L132-I198 HydrophobicContact CD1-CD1 3.61Å |
| 133 | A | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -33.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A129 L131 I136 V137 L160 L161 V172 | A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 3.06Å; A129-A133 PolarHBondContact O-N 2.69Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.29Å; A133-I136 WeakPolarHBondContact O-CB 3.19Å; A133-I136 PolarHBondContact O-N 2.74Å; A133-V137 WeakPolarHBondContact O-CG2 3.35Å; A133-V137 PolarHBondContact O-N 3.16Å; A133-L160 HydrophobicContact CB-CB 4.07Å; A133-L161 HydrophobicContact CB-CD2 4.03Å; A133-L161 HydrophobicContact CB-CG 4.32Å; A133-V172 HydrophobicContact CB-CG1 4.24Å; A133-V172 HydrophobicContact CB-CG2 3.75Å |
| 134 | S | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -33.2 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | A130 L131 L132 V137 Q138 F175 H179 | A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 3.29Å; L131-S134 PolarHBondContact O-N 2.96Å; L131-S134 VanDerWaalsContact O-N 3.08Å; L131-S134 PolarHBondContact O-OG 3.34Å; L132-S134 VanDerWaalsContact C-N 3.27Å; L132-S134 PolarHBondContact O-N 3.03Å; S134-V137 PolarHBondContact O-N 3.34Å; S134-Q138 PolarHBondContact O-N 3.42Å; S134-F175 VanDerWaalsContact CB-CB 3.47Å; S134-F175 VanDerWaalsContact OG-CB 3.24Å; S134-F175 WeakPolarHBondContact OG-CB 3.45Å; S134-H179 PolarHBondContact OG-CD2 2.73Å; S134-H179 PolarHBondContact OG-NE2 3.3Å |
| 135 | Y | 97.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 13% | 0.125 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 170.8 | -66.6 | -55.4 | 0 | 0 | 0 | 111.9 | L131 L132 V137 Q138 A139 H179 L182 A190 L191 | L131-Y135 HydrophobicContact CD1-CD2 4.48Å; L131-Y135 HydrophobicContact CD1-CE2 3.77Å; L131-Y135 HydrophobicContact CD2-CE2 4.46Å; L131-Y135 HydrophobicContact CG-CD2 4.43Å; L131-Y135 HydrophobicContact CG-CE2 3.81Å; L131-Y135 WeakPolarHBondContact O-CD2 3.36Å; L131-Y135 PolarHBondContact O-N 2.86Å; L132-Y135 PolarHBondContact O-N 2.89Å; Y135-V137 VanDerWaalsContact C-N 3.3Å; Y135-V137 PolarHBondContact O-N 2.88Å; Y135-Q138 PolarHBondContact O-N 2.93Å; Y135-A139 WeakPolarHBondContact O-CB 3.43Å; Y135-A139 PolarHBondContact O-N 3.39Å; Y135-H179 AromaticContact CD1-CD2 3.74Å; Y135-H179 AromaticContact CD1-NE2 3.61Å; Y135-H179 AromaticContact CE1-CD2 3.92Å; Y135-H179 AromaticContact CE1-CE1 3.48Å; Y135-H179 VanDerWaalsContact CE1-CE1 3.48Å; Y135-H179 WeakPolarHBondContact CE1-CE1 3.49Å; Y135-H179 AromaticContact CE1-ND1 3.9Å; Y135-H179 AromaticContact CE1-NE2 3.48Å; Y135-H179 WeakPolarHBondContact CE1-NE2 3.39Å; Y135-H179 AromaticContact CZ-CE1 3.89Å; Y135-L182 HydrophobicContact CE1-CD1 4.22Å; Y135-A190 HydrophobicContact CD1-CB 4.16Å; Y135-A190 HydrophobicContact CE1-CB 3.79Å; Y135-A190 HydrophobicContact CE2-CB 4.33Å; Y135-L191 HydrophobicContact CD2-CB 4.28Å; Y135-L191 HydrophobicContact CG-CB 4.33Å |
| 136 | I | 95.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.2 | -45 | 172.6 | -63.1 | 168.6 | 0 | 0 | 0 | 110.2 | K114 L117 L132 A133 A139 E140 L160 L191 | K114-I136 HydrophobicContact CB-CD1 3.73Å; K114-I136 HydrophobicContact CD-CG2 3.86Å; K114-I136 HydrophobicContact CG-CD1 4.01Å; K114-I136 HydrophobicContact CG-CG2 4.3Å; L117-I136 HydrophobicContact CD1-CD1 3.96Å; L132-I136 WeakPolarHBondContact O-CG1 3.41Å; L132-I136 PolarHBondContact O-N 3.25Å; A133-I136 WeakPolarHBondContact O-CB 3.19Å; A133-I136 PolarHBondContact O-N 2.74Å; I136-A139 PolarHBondContact O-N 2.89Å; I136-E140 HydrophobicContact CG2-CG 4.29Å; I136-E140 WeakPolarHBondContact CG2-OE1 3.27Å; I136-E140 WeakPolarHBondContact O-CB 3.41Å; I136-E140 WeakPolarHBondContact O-CG 3.38Å; I136-E140 PolarHBondContact O-N 3.11Å; I136-L160 HydrophobicContact CB-CD2 4.17Å; I136-L160 HydrophobicContact CG2-CD2 3.66Å; I136-L191 HydrophobicContact CD1-CD1 4.24Å; I136-L191 HydrophobicContact CG1-CD1 3.4Å; I136-L191 VanDerWaalsContact CG1-CD1 3.4Å |
| 137 | V | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -51 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | A133 S134 Y135 A139 E140 I141 Y154 L155 L158 L160 V172 | A133-V137 WeakPolarHBondContact O-CG2 3.35Å; A133-V137 PolarHBondContact O-N 3.16Å; S134-V137 PolarHBondContact O-N 3.34Å; Y135-V137 VanDerWaalsContact C-N 3.3Å; Y135-V137 PolarHBondContact O-N 2.88Å; V137-A139 PolarHBondContact O-N 3.5Å; V137-E140 PolarHBondContact O-N 3.06Å; V137-E140 VanDerWaalsContact O-N 3.14Å; V137-I141 WeakPolarHBondContact O-CB 3.29Å; V137-I141 PolarHBondContact O-N 2.65Å; V137-Y154 HydrophobicContact CG1-CE2 3.77Å; V137-L155 HydrophobicContact CB-CD2 4.37Å; V137-L155 HydrophobicContact CG1-CD2 3.92Å; V137-L155 HydrophobicContact CG2-CD2 3.45Å; V137-L155 VanDerWaalsContact CG2-CD2 3.45Å; V137-L158 HydrophobicContact CG1-CD1 4.36Å; V137-L158 HydrophobicContact CG2-CD1 3.86Å; V137-L160 HydrophobicContact CG2-CD1 3.37Å; V137-L160 HydrophobicContact CG2-CD2 4.03Å; V137-L160 HydrophobicContact CG2-CG 4.35Å; V137-V172 HydrophobicContact CG2-CG1 4.05Å |
| 138 | Q | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.4 | -40.1 | 176.8 | -179.5 | 66.8 | 27.1 | 0 | 0 | 111.2 | S134 Y135 G142 D143 H179 L182 A187 | S134-Q138 PolarHBondContact O-N 3.42Å; Y135-Q138 PolarHBondContact O-N 2.93Å; Q138-G142 WeakPolarHBondContact O-CA 3.44Å; Q138-G142 PolarHBondContact O-N 3.42Å; Q138-D143 PolarHBondContact NE2-OD1 3.02Å; Q138-H179 HydrophobicContact CB-CB 4.24Å; Q138-H179 VanDerWaalsContact CD-O 3.29Å; Q138-H179 HydrophobicContact CG-CB 4.01Å; Q138-H179 PolarHBondContact NE2-O 3.07Å; Q138-H179 PolarHBondContact OE1-O 2.93Å; Q138-L182 HydrophobicContact CG-CB 4.1Å; Q138-L182 PolarHBondContact NE2-O 3.27Å; Q138-A187 HydrophobicContact CB-CB 4.3Å; Q138-A187 HydrophobicContact CG-CB 4.05Å |
| 139 | A | 94.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -80 | -24 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y135 I136 V137 P184 A187 R336 | Y135-A139 WeakPolarHBondContact O-CB 3.43Å; Y135-A139 PolarHBondContact O-N 3.39Å; I136-A139 PolarHBondContact O-N 2.89Å; V137-A139 PolarHBondContact O-N 3.5Å; A139-P184 HydrophobicContact CB-CB 4.2Å; A139-A187 HydrophobicContact CB-CB 3.92Å; A139-R336 VanDerWaalsContact O-CD 3.27Å; A139-R336 WeakPolarHBondContact O-CD 3.22Å; A139-R336 PolarHBondContact O-NH1 2.95Å |
| 140 | E | 92.2 | Very high | 91.9 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -92.9 | -28.7 | 179.6 | -75.2 | -178.3 | -176.4 | 0 | 0 | 114 | K114 I136 V137 | K114-E140 WeakPolarHBondContact CD-OE1 3.36Å; K114-E140 WeakPolarHBondContact CE-OE1 3.44Å; K114-E140 IonicContact NZ-OE1 2.75Å; K114-E140 PolarHBondContact NZ-OE1 2.81Å; K114-E140 IonicContact NZ-OE2 2.76Å; K114-E140 PolarHBondContact NZ-OE2 3.46Å; I136-E140 HydrophobicContact CG2-CG 4.29Å; I136-E140 WeakPolarHBondContact CG2-OE1 3.27Å; I136-E140 WeakPolarHBondContact O-CB 3.41Å; I136-E140 WeakPolarHBondContact O-CG 3.38Å; I136-E140 PolarHBondContact O-N 3.11Å; V137-E140 PolarHBondContact O-N 3.06Å; V137-E140 VanDerWaalsContact O-N 3.14Å |
| 141 | I | 91 | Very high | 91.3 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 16% | 0.159 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -113.7 | -32.8 | -175.9 | -71.9 | -173.3 | 0 | 0 | 0 | 112.8 | V137 Y149 Y154 L158 | V137-I141 WeakPolarHBondContact O-CB 3.29Å; V137-I141 PolarHBondContact O-N 2.65Å; I141-Y149 HydrophobicContact CG2-CE1 4.35Å; I141-Y149 HydrophobicContact CG2-CE2 4.01Å; I141-Y149 WeakPolarHBondContact CG2-OH 3.25Å; I141-Y154 HydrophobicContact CD1-CD2 3.79Å; I141-Y154 HydrophobicContact CD1-CE2 4.4Å; I141-L158 HydrophobicContact CD1-CD1 3.79Å; I141-L158 HydrophobicContact CD1-CD2 4.31Å; I141-L158 HydrophobicContact CD1-CG 4.43Å; I141-L158 HydrophobicContact CG1-CD1 4.41Å |
| 142 | G | 92 | Very high | 90.9 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 25% | 0.247 | 22% | 0.221 | C | C | . | . | trans | 85.5 | -170.1 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q138 H176 | Q138-G142 WeakPolarHBondContact O-CA 3.44Å; Q138-G142 PolarHBondContact O-N 3.42Å; G142-H176 PolarHBondContact O-NE2 2.9Å; G142-H176 VanDerWaalsContact O-NE2 3.14Å | ||
| 143 | D | 94.1 | Very high | 90.4 | Very high | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -53.7 | 150.3 | -168 | -66.1 | -34.1 | 0 | 0 | 0 | 115.9 | Q138 I145 V180 G181 | Q138-D143 PolarHBondContact NE2-OD1 3.02Å; D143-I145 PolarHBondContact O-N 3.26Å; D143-V180 HydrophobicContact CB-CG1 4.23Å; D143-V180 HydrophobicContact CB-CG2 4.46Å; D143-V180 WeakPolarHBondContact OD1-CA 3.27Å; D143-G181 PolarHBondContact OD1-N 2.88Å |
| 144 | F | 91.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | trans | -67.7 | 100.3 | 172.6 | -178.6 | -92.5 | 0 | 0 | 0 | 112.7 | Q146 Y149 R173 H176 K177 V180 | F144-Q146 HydrophobicContact CE1-CB 3.96Å; F144-Q146 VanDerWaalsContact CE1-OE1 3.3Å; F144-Y149 HydrophobicContact CD2-CD2 4.13Å; F144-Y149 HydrophobicContact CD2-CG 4.41Å; F144-Y149 VanDerWaalsContact CE2-CB 3.45Å; F144-Y149 HydrophobicContact CE2-CG 4.48Å; F144-R173 HydrophobicContact CE2-CG 3.98Å; F144-H176 AromaticContact CD2-ND1 3.6Å; F144-K177 HydrophobicContact CD1-CB 4.46Å; F144-K177 HydrophobicContact CD1-CG 3.65Å; F144-K177 HydrophobicContact CD2-CG 4.09Å; F144-K177 HydrophobicContact CE1-CD 4.25Å; F144-K177 HydrophobicContact CE1-CG 3.75Å; F144-K177 HydrophobicContact CE2-CG 4.16Å; F144-K177 HydrophobicContact CG-CG 3.84Å; F144-K177 HydrophobicContact CZ-CD 4.4Å; F144-K177 HydrophobicContact CZ-CG 4.01Å; F144-V180 HydrophobicContact CB-CG2 4.12Å | ||
| 145 | I | 91 | Very high | 89.8 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | trans | -85.1 | 115 | 167.2 | -56.7 | 172 | 0 | 0 | 0 | 109.9 | D143 E147 E148 Y149 | D143-I145 PolarHBondContact O-N 3.26Å; I145-E147 VanDerWaalsContact C-N 3.29Å; I145-E147 HydrophobicContact CG2-CB 4.11Å; I145-E147 PolarHBondContact O-N 3.47Å; I145-E148 HydrophobicContact CB-CB 4.39Å; I145-E148 HydrophobicContact CB-CG 4.41Å; I145-E148 HydrophobicContact CG2-CB 4.31Å; I145-E148 HydrophobicContact CG2-CG 3.95Å; I145-E148 PolarHBondContact O-N 3.39Å; I145-Y149 HydrophobicContact CB-CD2 4.24Å; I145-Y149 HydrophobicContact CB-CE2 4.12Å; I145-Y149 HydrophobicContact CG1-CE2 4.48Å; I145-Y149 WeakPolarHBondContact O-CB 3.34Å; I145-Y149 VanDerWaalsContact O-CD2 3.31Å; I145-Y149 WeakPolarHBondContact O-CD2 3.41Å; I145-Y149 PolarHBondContact O-N 2.91Å | ||
| 146 | Q | 86.9 | Confident | 89.2 | Confident | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.3 | -177.5 | 172.9 | 67.9 | -11.3 | 0 | 0 | 112.9 | F144 R150 | F144-Q146 HydrophobicContact CE1-CB 3.96Å; F144-Q146 VanDerWaalsContact CE1-OE1 3.3Å; Q146-R150 WeakPolarHBondContact O-CG 3.24Å |
| 147 | E | 83.4 | Confident | 88.6 | Confident | 126 Ų | 126 | 57.3 Ų | 57.3 | 59% | 0.589 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -37.4 | 178.3 | -72.7 | 62.2 | -142.7 | 0 | 0 | 112.4 | I145 R150 | I145-E147 VanDerWaalsContact C-N 3.29Å; I145-E147 HydrophobicContact CG2-CB 4.11Å; I145-E147 PolarHBondContact O-N 3.47Å; E147-R150 WeakPolarHBondContact O-CG 3.47Å; E147-R150 PolarHBondContact O-NE 2.91Å |
| 148 | E | 83.8 | Confident | 88.1 | Confident | 127 Ų | 127 | 58.2 Ų | 58.2 | 59% | 0.593 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -46.5 | -175.8 | -60.5 | -172 | 167.7 | 0 | 0 | 110.9 | I145 R150 | I145-E148 HydrophobicContact CB-CB 4.39Å; I145-E148 HydrophobicContact CB-CG 4.41Å; I145-E148 HydrophobicContact CG2-CB 4.31Å; I145-E148 HydrophobicContact CG2-CG 3.95Å; I145-E148 PolarHBondContact O-N 3.39Å; E148-R150 VanDerWaalsContact C-N 3.26Å; E148-R150 PolarHBondContact O-N 2.77Å; E148-R150 VanDerWaalsContact O-N 3.13Å |
| 149 | Y | 85.2 | Confident | 87.6 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 13% | 0.129 | 33% | 0.326 | C | S | . | . | trans | -92 | 40.6 | -173.3 | -52.5 | -46 | 0 | 0 | 0 | 113.2 | I141 F144 I145 T151 Y154 R173 | I141-Y149 HydrophobicContact CG2-CE1 4.35Å; I141-Y149 HydrophobicContact CG2-CE2 4.01Å; I141-Y149 WeakPolarHBondContact CG2-OH 3.25Å; F144-Y149 HydrophobicContact CD2-CD2 4.13Å; F144-Y149 HydrophobicContact CD2-CG 4.41Å; F144-Y149 VanDerWaalsContact CE2-CB 3.45Å; F144-Y149 HydrophobicContact CE2-CG 4.48Å; I145-Y149 HydrophobicContact CB-CD2 4.24Å; I145-Y149 HydrophobicContact CB-CE2 4.12Å; I145-Y149 HydrophobicContact CG1-CE2 4.48Å; I145-Y149 WeakPolarHBondContact O-CB 3.34Å; I145-Y149 VanDerWaalsContact O-CD2 3.31Å; I145-Y149 WeakPolarHBondContact O-CD2 3.41Å; I145-Y149 PolarHBondContact O-N 2.91Å; Y149-T151 PolarHBondContact O-N 3.02Å; Y149-Y154 AromaticContact CD1-CD1 3.68Å; Y149-Y154 HydrophobicContact CD1-CD1 3.68Å; Y149-Y154 AromaticContact CD1-CD2 3.65Å; Y149-Y154 HydrophobicContact CD1-CD2 3.65Å; Y149-Y154 HydrophobicContact CD1-CE1 4.18Å; Y149-Y154 HydrophobicContact CD1-CE2 4.12Å; Y149-Y154 AromaticContact CD1-CG 3.41Å; Y149-Y154 HydrophobicContact CD1-CG 3.41Å; Y149-Y154 VanDerWaalsContact CD1-CG 3.41Å; Y149-Y154 AromaticContact CE1-CD2 4Å; Y149-Y154 HydrophobicContact CE1-CD2 4Å; Y149-Y154 HydrophobicContact CE1-CG 4.03Å; Y149-Y154 HydrophobicContact CG-CD1 4.05Å; Y149-Y154 HydrophobicContact CG-CD2 4.21Å; Y149-Y154 HydrophobicContact CG-CE1 4.09Å; Y149-Y154 HydrophobicContact CG-CE2 4.21Å; Y149-Y154 HydrophobicContact CG-CG 4.13Å; Y149-R173 VanDerWaalsContact O-CZ 3.27Å; Y149-R173 PolarHBondContact O-NE 3.39Å; Y149-R173 PolarHBondContact O-NH2 3.47Å | ||
| 150 | R | 79.4 | Confident | 87.2 | Confident | 169 Ų | 169 | 65.1 Ų | 65.1 | 64% | 0.638 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -61.2 | -28.5 | 178.5 | -63.5 | -177.9 | -166.8 | -146.2 | -4.6 | 114 | Q146 E147 E148 R173 | Q146-R150 WeakPolarHBondContact O-CG 3.24Å; E147-R150 WeakPolarHBondContact O-CG 3.47Å; E147-R150 PolarHBondContact O-NE 2.91Å; E148-R150 VanDerWaalsContact C-N 3.26Å; E148-R150 PolarHBondContact O-N 2.77Å; E148-R150 VanDerWaalsContact O-N 3.13Å; R150-R173 VanDerWaalsContact C-NH2 3.32Å; R150-R173 PolarHBondContact O-NH2 3.32Å |
| 151 | T | 83.5 | Confident | 86.9 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -132.2 | 151.7 | -174.2 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | Y149 S153 Y154 | Y149-T151 PolarHBondContact O-N 3.02Å; T151-S153 PolarHBondContact O-N 3.37Å; T151-S153 PolarHBondContact O-OG 2.99Å; T151-Y154 VanDerWaalsContact O-CD1 3.31Å; T151-Y154 WeakPolarHBondContact O-CD1 3.48Å |
| 152 | I | 87.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 4.4 | 176.8 | 58.9 | 169.9 | 0 | 0 | 0 | 115.4 | Y154 L155 D166 L169 R170 R173 | I152-Y154 VanDerWaalsContact C-N 3.33Å; I152-Y154 PolarHBondContact O-N 3.39Å; I152-L155 PolarHBondContact O-N 2.83Å; I152-D166 HydrophobicContact CD1-CB 3.64Å; I152-D166 VanDerWaalsContact CD1-CG 3.45Å; I152-L169 HydrophobicContact CB-CB 4.14Å; I152-L169 HydrophobicContact CD1-CB 4.21Å; I152-L169 HydrophobicContact CG2-CB 4.33Å; I152-R170 HydrophobicContact CG2-CG 4.08Å; I152-R173 HydrophobicContact CG2-CB 4.45Å |
| 153 | S | 86.4 | Confident | 85.9 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | -178.4 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | T151 L155 K156 | T151-S153 PolarHBondContact O-N 3.37Å; T151-S153 PolarHBondContact O-OG 2.99Å; S153-L155 PolarHBondContact O-N 3.35Å; S153-K156 PolarHBondContact O-N 2.97Å; S153-K156 VanDerWaalsContact O-N 3.17Å |
| 154 | Y | 88.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65 | -25 | 179.8 | 78.5 | -80.7 | 0 | 0 | 0 | 113.3 | V137 I141 Y149 T151 I152 S157 R173 H176 | V137-Y154 HydrophobicContact CG1-CE2 3.77Å; I141-Y154 HydrophobicContact CD1-CD2 3.79Å; I141-Y154 HydrophobicContact CD1-CE2 4.4Å; Y149-Y154 AromaticContact CD1-CD1 3.68Å; Y149-Y154 HydrophobicContact CD1-CD1 3.68Å; Y149-Y154 AromaticContact CD1-CD2 3.65Å; Y149-Y154 HydrophobicContact CD1-CD2 3.65Å; Y149-Y154 HydrophobicContact CD1-CE1 4.18Å; Y149-Y154 HydrophobicContact CD1-CE2 4.12Å; Y149-Y154 AromaticContact CD1-CG 3.41Å; Y149-Y154 HydrophobicContact CD1-CG 3.41Å; Y149-Y154 VanDerWaalsContact CD1-CG 3.41Å; Y149-Y154 AromaticContact CE1-CD2 4Å; Y149-Y154 HydrophobicContact CE1-CD2 4Å; Y149-Y154 HydrophobicContact CE1-CG 4.03Å; Y149-Y154 HydrophobicContact CG-CD1 4.05Å; Y149-Y154 HydrophobicContact CG-CD2 4.21Å; Y149-Y154 HydrophobicContact CG-CE1 4.09Å; Y149-Y154 HydrophobicContact CG-CE2 4.21Å; Y149-Y154 HydrophobicContact CG-CG 4.13Å; T151-Y154 VanDerWaalsContact O-CD1 3.31Å; T151-Y154 WeakPolarHBondContact O-CD1 3.48Å; I152-Y154 VanDerWaalsContact C-N 3.33Å; I152-Y154 PolarHBondContact O-N 3.39Å; Y154-S157 PolarHBondContact O-OG 2.95Å; Y154-R173 HydrophobicContact CE1-CG 4.33Å; Y154-H176 AromaticContact CE2-ND1 3.91Å; Y154-H176 AromaticContact CZ-ND1 3.87Å; Y154-H176 PolarHBondContact OH-ND1 2.61Å; Y154-H176 VanDerWaalsContact OH-ND1 3.1Å |
| 155 | L | 89.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -79.6 | -27.7 | 176.7 | -60.2 | 173.7 | 0 | 0 | 0 | 112.6 | V137 I152 S153 S157 L158 L160 L169 V172 R173 | V137-L155 HydrophobicContact CB-CD2 4.37Å; V137-L155 HydrophobicContact CG1-CD2 3.92Å; V137-L155 HydrophobicContact CG2-CD2 3.45Å; V137-L155 VanDerWaalsContact CG2-CD2 3.45Å; I152-L155 PolarHBondContact O-N 2.83Å; S153-L155 PolarHBondContact O-N 3.35Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.08Å; L155-L158 HydrophobicContact CD2-CD1 4.46Å; L155-L158 PolarHBondContact O-N 3.43Å; L155-L160 HydrophobicContact CB-CD1 4.35Å; L155-L160 HydrophobicContact CD2-CD1 3.85Å; L155-L169 HydrophobicContact CB-CD2 4.07Å; L155-L169 HydrophobicContact CD1-CB 4.18Å; L155-L169 WeakPolarHBondContact CD1-O 3.36Å; L155-V172 HydrophobicContact CD1-CB 4.09Å; L155-V172 HydrophobicContact CD1-CG1 3.9Å; L155-V172 HydrophobicContact CD2-CG1 3.89Å; L155-R173 HydrophobicContact CD1-CB 3.99Å |
| 156 | K | 86 | Confident | 84.5 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.9 | -28.5 | -177.6 | -67.2 | -170.8 | 178.4 | -169.4 | 0 | 112.6 | S153 D166 L169 | S153-K156 PolarHBondContact O-N 2.97Å; S153-K156 VanDerWaalsContact O-N 3.17Å; K156-D166 WeakPolarHBondContact CE-OD1 3.49Å; K156-D166 IonicContact NZ-OD1 2.66Å; K156-D166 PolarHBondContact NZ-OD1 3.01Å; K156-D166 IonicContact NZ-OD2 3.11Å; K156-D166 PolarHBondContact NZ-OD2 2.95Å; K156-L169 HydrophobicContact CD-CD1 4.35Å; K156-L169 HydrophobicContact CG-CD1 3.53Å |
| 157 | S | 83.2 | Confident | 84.7 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -27.9 | 174.7 | 28.2 | 0 | 0 | 0 | 0 | 114.4 | Y154 L155 K159 | Y154-S157 PolarHBondContact O-OG 2.95Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 3.08Å; S157-K159 PolarHBondContact O-N 3.35Å |
| 158 | L | 84.1 | Confident | 85 | Confident | 19 Ų | 19 | 69 Ų | 69 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -82.6 | -11 | -167.3 | -65.4 | 179.4 | 0 | 0 | 0 | 115.1 | K114 V137 I141 L155 L160 | K114-L158 VanDerWaalsContact CE-O 3.32Å; K114-L158 WeakPolarHBondContact CE-O 3.45Å; K114-L158 PolarHBondContact NZ-O 3.35Å; V137-L158 HydrophobicContact CG1-CD1 4.36Å; V137-L158 HydrophobicContact CG2-CD1 3.86Å; I141-L158 HydrophobicContact CD1-CD1 3.79Å; I141-L158 HydrophobicContact CD1-CD2 4.31Å; I141-L158 HydrophobicContact CD1-CG 4.43Å; I141-L158 HydrophobicContact CG1-CD1 4.41Å; L155-L158 HydrophobicContact CD2-CD1 4.46Å; L155-L158 PolarHBondContact O-N 3.43Å; L158-L160 HydrophobicContact CB-CD1 4.16Å; L158-L160 HydrophobicContact CB-CD2 3.78Å; L158-L160 HydrophobicContact CB-CG 3.73Å; L158-L160 HydrophobicContact CD1-CD1 4.23Å; L158-L160 HydrophobicContact CD1-CD2 4.27Å |
| 159 | K | 85.6 | Confident | 85.4 | Confident | 146 Ų | 146 | 63.1 Ų | 63.1 | 64% | 0.635 | 32% | 0.315 | S | S | * | . | trans | 45.9 | 69.9 | -174.2 | -55.5 | 176.9 | -168.6 | 165.2 | 0 | 112 | V118 S157 | V118-K159 WeakPolarHBondContact CG2-O 3.48Å; S157-K159 PolarHBondContact O-N 3.35Å | ||
| 160 | L | 85.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | trans | -92.5 | -21.9 | -169.9 | -61.9 | 166.5 | 0 | 0 | 0 | 115.3 | A133 I136 V137 L155 L158 V172 | A133-L160 HydrophobicContact CB-CB 4.07Å; I136-L160 HydrophobicContact CB-CD2 4.17Å; I136-L160 HydrophobicContact CG2-CD2 3.66Å; V137-L160 HydrophobicContact CG2-CD1 3.37Å; V137-L160 HydrophobicContact CG2-CD2 4.03Å; V137-L160 HydrophobicContact CG2-CG 4.35Å; L155-L160 HydrophobicContact CB-CD1 4.35Å; L155-L160 HydrophobicContact CD2-CD1 3.85Å; L158-L160 HydrophobicContact CB-CD1 4.16Å; L158-L160 HydrophobicContact CB-CD2 3.78Å; L158-L160 HydrophobicContact CB-CG 3.73Å; L158-L160 HydrophobicContact CD1-CD1 4.23Å; L158-L160 HydrophobicContact CD1-CD2 4.27Å; L160-V172 HydrophobicContact CD1-CG1 4.09Å | ||
| 161 | L | 86.2 | Confident | 86.4 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -143.6 | 142.6 | -166.7 | -65.4 | 174.4 | 0 | 0 | 0 | 110.6 | A129 A133 E163 R168 V172 | A129-L161 HydrophobicContact CB-CD2 4.02Å; A133-L161 HydrophobicContact CB-CD2 4.03Å; A133-L161 HydrophobicContact CB-CG 4.32Å; L161-E163 PolarHBondContact O-N 3.03Å; L161-R168 HydrophobicContact CD1-CB 3.92Å; L161-V172 HydrophobicContact CD1-CG2 4.15Å |
| 162 | H | 80.7 | Confident | 86.9 | Confident | 56 Ų | 56 | 58 Ų | 58 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -54.1 | 121.9 | 161.1 | -178.1 | -77.4 | 0 | 0 | 0 | 109.3 | L117 V118 R168 | L117-H162 WeakPolarHBondContact O-CB 3.48Å; L117-H162 PolarHBondContact O-N 3.22Å; V118-H162 WeakPolarHBondContact O-CA 3.48Å; V118-H162 WeakPolarHBondContact O-CB 3.38Å; H162-R168 PolarHBondContact O-NH1 3.09Å; H162-R168 PolarHBondContact O-NH2 2.69Å |
| 163 | E | 80.2 | Confident | 87.2 | Confident | 144 Ų | 144 | 58.8 Ų | 58.8 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 52.9 | 79 | -176.8 | -67.6 | 176.7 | 144.1 | 0 | 0 | 114.5 | L161 N165 R168 | L161-E163 PolarHBondContact O-N 3.03Å; E163-N165 PolarHBondContact O-N 3.41Å; E163-R168 PolarHBondContact O-NH1 2.98Å |
| 164 | P | 76.8 | Confident | 87.6 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | trans | -74.1 | 91.5 | -177.3 | 30.8 | -35.2 | 0 | 0 | 0 | 112.3 | L169 | P164-L169 HydrophobicContact CB-CD1 4.46Å; P164-L169 HydrophobicContact CB-CD2 4.29Å | ||
| 165 | N | 83.8 | Confident | 87.9 | Confident | 99 Ų | 99 | 62 Ų | 62 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | trans | -75.4 | 143.5 | 166.9 | -173.2 | -2.4 | 0 | 0 | 0 | 110.6 | E163 E167 R168 L169 | E163-N165 PolarHBondContact O-N 3.41Å; N165-E167 PolarHBondContact O-N 3.14Å; N165-R168 HydrophobicContact CB-CG 4.48Å; N165-R168 WeakPolarHBondContact O-CB 3.44Å; N165-R168 PolarHBondContact O-N 3.33Å; N165-L169 PolarHBondContact O-N 2.78Å; N165-L169 VanDerWaalsContact O-N 3.08Å | ||
| 166 | D | 88.1 | Confident | 88.1 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.4 | -32.1 | -179.9 | -82.1 | 17.1 | 0 | 0 | 0 | 112.8 | I152 K156 L169 R170 | I152-D166 HydrophobicContact CD1-CB 3.64Å; I152-D166 VanDerWaalsContact CD1-CG 3.45Å; K156-D166 WeakPolarHBondContact CE-OD1 3.49Å; K156-D166 IonicContact NZ-OD1 2.66Å; K156-D166 PolarHBondContact NZ-OD1 3.01Å; K156-D166 IonicContact NZ-OD2 3.11Å; K156-D166 PolarHBondContact NZ-OD2 2.95Å; D166-L169 PolarHBondContact O-N 3.47Å; D166-R170 WeakPolarHBondContact O-CG 3.23Å; D166-R170 PolarHBondContact O-N 3.22Å |
| 167 | E | 89.5 | Confident | 88.6 | Confident | 75 Ų | 75 | 60 Ų | 60 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.6 | -37.6 | 174.6 | -172.1 | 52.8 | -142.2 | 0 | 0 | 112.7 | N165 L169 R170 R171 | N165-E167 PolarHBondContact O-N 3.14Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-R170 WeakPolarHBondContact O-CB 3.43Å; E167-R170 PolarHBondContact O-N 2.9Å; E167-R170 WeakPolarHBondContact OE2-CD 3.46Å; E167-R170 IonicContact OE2-CZ 2.83Å; E167-R170 IonicContact OE2-NE 3.53Å; E167-R170 IonicContact OE2-NH1 2.94Å; E167-R170 PolarHBondContact OE2-NH1 2.91Å; E167-R171 PolarHBondContact O-N 3.18Å; E167-R171 VanDerWaalsContact O-N 3.16Å |
| 168 | R | 89.7 | Confident | 89.1 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 18% | 0.181 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -40 | 173.7 | -70.7 | 171.3 | 73.8 | -160.9 | 3.3 | 110.8 | E126 L161 H162 E163 N165 R170 R171 V172 | E126-R168 HydrophobicContact CG-CG 4.02Å; E126-R168 WeakPolarHBondContact OE1-CD 3.36Å; E126-R168 WeakPolarHBondContact OE1-CG 3.47Å; L161-R168 HydrophobicContact CD1-CB 3.92Å; H162-R168 PolarHBondContact O-NH1 3.09Å; H162-R168 PolarHBondContact O-NH2 2.69Å; E163-R168 PolarHBondContact O-NH1 2.98Å; N165-R168 HydrophobicContact CB-CG 4.48Å; N165-R168 WeakPolarHBondContact O-CB 3.44Å; N165-R168 PolarHBondContact O-N 3.33Å; R168-R170 VanDerWaalsContact C-N 3.34Å; R168-R170 PolarHBondContact O-N 3.46Å; R168-R171 PolarHBondContact O-N 3.25Å; R168-V172 WeakPolarHBondContact O-CG2 3.25Å; R168-V172 PolarHBondContact O-N 3.48Å |
| 169 | L | 92.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -30.5 | 175.1 | -58.1 | -179 | 0 | 0 | 0 | 112.9 | I152 L155 K156 P164 N165 D166 E167 R173 | I152-L169 HydrophobicContact CB-CB 4.14Å; I152-L169 HydrophobicContact CD1-CB 4.21Å; I152-L169 HydrophobicContact CG2-CB 4.33Å; L155-L169 HydrophobicContact CB-CD2 4.07Å; L155-L169 HydrophobicContact CD1-CB 4.18Å; L155-L169 WeakPolarHBondContact CD1-O 3.36Å; K156-L169 HydrophobicContact CD-CD1 4.35Å; K156-L169 HydrophobicContact CG-CD1 3.53Å; P164-L169 HydrophobicContact CB-CD1 4.46Å; P164-L169 HydrophobicContact CB-CD2 4.29Å; N165-L169 PolarHBondContact O-N 2.78Å; N165-L169 VanDerWaalsContact O-N 3.08Å; D166-L169 PolarHBondContact O-N 3.47Å; E167-L169 VanDerWaalsContact C-N 3.33Å; L169-R173 WeakPolarHBondContact O-CB 3.12Å; L169-R173 PolarHBondContact O-N 3.4Å |
| 170 | R | 92.7 | Very high | 90 | Very high | 115 Ų | 115 | 57 Ų | 57 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -52.2 | 169.1 | -72.2 | 173.3 | -161.2 | 115.8 | 9.9 | 110.6 | I152 D166 E167 R168 V172 R173 E174 | I152-R170 HydrophobicContact CG2-CG 4.08Å; D166-R170 WeakPolarHBondContact O-CG 3.23Å; D166-R170 PolarHBondContact O-N 3.22Å; E167-R170 WeakPolarHBondContact O-CB 3.43Å; E167-R170 PolarHBondContact O-N 2.9Å; E167-R170 WeakPolarHBondContact OE2-CD 3.46Å; E167-R170 IonicContact OE2-CZ 2.83Å; E167-R170 IonicContact OE2-NE 3.53Å; E167-R170 IonicContact OE2-NH1 2.94Å; E167-R170 PolarHBondContact OE2-NH1 2.91Å; R168-R170 VanDerWaalsContact C-N 3.34Å; R168-R170 PolarHBondContact O-N 3.46Å; R170-V172 VanDerWaalsContact C-N 3.32Å; R170-V172 PolarHBondContact O-N 3.29Å; R170-R173 WeakPolarHBondContact O-CA 3.47Å; R170-R173 WeakPolarHBondContact O-CB 3.49Å; R170-R173 PolarHBondContact O-N 2.9Å; R170-E174 WeakPolarHBondContact O-CG 3.4Å; R170-E174 PolarHBondContact O-N 3.3Å |
| 171 | R | 93 | Very high | 90.3 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 25% | 0.249 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 179.2 | -58.3 | -167.6 | -154.4 | 98.7 | -26 | 112.8 | E126 A130 E167 R168 R173 E174 F175 | E126-R171 VanDerWaalsContact CD-NH2 3.32Å; E126-R171 IonicContact OE1-CZ 3.37Å; E126-R171 IonicContact OE1-NH1 2.74Å; E126-R171 PolarHBondContact OE1-NH1 3.07Å; E126-R171 IonicContact OE1-NH2 2.98Å; E126-R171 PolarHBondContact OE1-NH2 2.91Å; E126-R171 IonicContact OE2-CZ 3.48Å; E126-R171 VanDerWaalsContact OE2-CZ 3.3Å; E126-R171 IonicContact OE2-NH1 3.19Å; E126-R171 PolarHBondContact OE2-NH1 2.61Å; E126-R171 IonicContact OE2-NH2 3.36Å; E126-R171 PolarHBondContact OE2-NH2 3.47Å; A130-R171 HydrophobicContact CB-CB 3.9Å; E167-R171 PolarHBondContact O-N 3.18Å; E167-R171 VanDerWaalsContact O-N 3.16Å; R168-R171 PolarHBondContact O-N 3.25Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.87Å; R171-E174 PolarHBondContact O-N 3.05Å; R171-F175 VanDerWaalsContact O-CD2 3.27Å; R171-F175 WeakPolarHBondContact O-CD2 3.45Å; R171-F175 PolarHBondContact O-N 3Å; R171-F175 VanDerWaalsContact O-N 3.07Å |
| 172 | V | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -43 | 172.3 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | A130 A133 V137 L155 L160 L161 R168 R170 H176 | A130-V172 HydrophobicContact CB-CG2 3.99Å; A133-V172 HydrophobicContact CB-CG1 4.24Å; A133-V172 HydrophobicContact CB-CG2 3.75Å; V137-V172 HydrophobicContact CG2-CG1 4.05Å; L155-V172 HydrophobicContact CD1-CB 4.09Å; L155-V172 HydrophobicContact CD1-CG1 3.9Å; L155-V172 HydrophobicContact CD2-CG1 3.89Å; L160-V172 HydrophobicContact CD1-CG1 4.09Å; L161-V172 HydrophobicContact CD1-CG2 4.15Å; R168-V172 WeakPolarHBondContact O-CG2 3.25Å; R168-V172 PolarHBondContact O-N 3.48Å; R170-V172 VanDerWaalsContact C-N 3.32Å; R170-V172 PolarHBondContact O-N 3.29Å; V172-H176 WeakPolarHBondContact O-CB 3.32Å; V172-H176 PolarHBondContact O-N 2.99Å |
| 173 | R | 93.7 | Very high | 91.3 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.3 | -177.5 | -178.3 | 179.7 | -123.2 | 2.4 | 112.1 | F144 Y149 R150 I152 Y154 L155 L169 R170 R171 H176 K177 | F144-R173 HydrophobicContact CE2-CG 3.98Å; Y149-R173 VanDerWaalsContact O-CZ 3.27Å; Y149-R173 PolarHBondContact O-NE 3.39Å; Y149-R173 PolarHBondContact O-NH2 3.47Å; R150-R173 VanDerWaalsContact C-NH2 3.32Å; R150-R173 PolarHBondContact O-NH2 3.32Å; I152-R173 HydrophobicContact CG2-CB 4.45Å; Y154-R173 HydrophobicContact CE1-CG 4.33Å; L155-R173 HydrophobicContact CD1-CB 3.99Å; L169-R173 WeakPolarHBondContact O-CB 3.12Å; L169-R173 PolarHBondContact O-N 3.4Å; R170-R173 WeakPolarHBondContact O-CA 3.47Å; R170-R173 WeakPolarHBondContact O-CB 3.49Å; R170-R173 PolarHBondContact O-N 2.9Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.87Å; R173-H176 WeakPolarHBondContact O-CB 3.32Å; R173-H176 PolarHBondContact O-N 2.89Å; R173-K177 PolarHBondContact O-N 2.82Å |
| 174 | E | 94.1 | Very high | 92 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | -179.3 | -60.1 | -49.6 | 122.7 | 0 | 0 | 111.9 | R170 R171 K177 | R170-E174 WeakPolarHBondContact O-CG 3.4Å; R170-E174 PolarHBondContact O-N 3.3Å; R171-E174 PolarHBondContact O-N 3.05Å; E174-K177 WeakPolarHBondContact O-CB 3.42Å; E174-K177 PolarHBondContact O-N 3.23Å; E174-K177 WeakPolarHBondContact OE1-CE 3.31Å; E174-K177 IonicContact OE1-NZ 2.71Å; E174-K177 PolarHBondContact OE1-NZ 3.25Å; E174-K177 WeakPolarHBondContact OE2-CE 3.41Å; E174-K177 IonicContact OE2-NZ 3.5Å; E174-K177 PolarHBondContact OE2-NZ 2.92Å |
| 175 | F | 95.3 | Very high | 92.7 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68 | -34 | 169 | -71 | -62.1 | 0 | 0 | 0 | 113 | A130 L131 S134 R171 K177 S178 H179 | A130-F175 HydrophobicContact CB-CD2 4Å; A130-F175 HydrophobicContact CB-CE2 4Å; L131-F175 HydrophobicContact CB-CD2 4.41Å; L131-F175 HydrophobicContact CB-CE2 4.35Å; L131-F175 HydrophobicContact CD1-CD1 4.02Å; L131-F175 HydrophobicContact CD1-CE1 4.38Å; L131-F175 HydrophobicContact CD1-CG 4.26Å; S134-F175 VanDerWaalsContact CB-CB 3.47Å; S134-F175 VanDerWaalsContact OG-CB 3.24Å; S134-F175 WeakPolarHBondContact OG-CB 3.45Å; R171-F175 VanDerWaalsContact O-CD2 3.27Å; R171-F175 WeakPolarHBondContact O-CD2 3.45Å; R171-F175 PolarHBondContact O-N 3Å; R171-F175 VanDerWaalsContact O-N 3.07Å; F175-K177 PolarHBondContact O-N 2.98Å; F175-S178 PolarHBondContact O-N 3.5Å; F175-S178 PolarHBondContact O-OG 3.45Å; F175-H179 PolarHBondContact O-CD2 3.05Å; F175-H179 PolarHBondContact O-NE2 3.11Å |
| 176 | H | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -30.6 | 176 | -174.6 | -134.8 | 0 | 0 | 0 | 112.4 | G142 F144 Y154 V172 R173 S178 H179 | G142-H176 PolarHBondContact O-NE2 2.9Å; G142-H176 VanDerWaalsContact O-NE2 3.14Å; F144-H176 AromaticContact CD2-ND1 3.6Å; Y154-H176 AromaticContact CE2-ND1 3.91Å; Y154-H176 AromaticContact CZ-ND1 3.87Å; Y154-H176 PolarHBondContact OH-ND1 2.61Å; Y154-H176 VanDerWaalsContact OH-ND1 3.1Å; V172-H176 WeakPolarHBondContact O-CB 3.32Å; V172-H176 PolarHBondContact O-N 2.99Å; R173-H176 WeakPolarHBondContact O-CB 3.32Å; R173-H176 PolarHBondContact O-N 2.89Å; H176-S178 VanDerWaalsContact C-N 3.31Å; H176-S178 PolarHBondContact O-N 2.91Å; H176-H179 PolarHBondContact O-N 3.13Å |
| 177 | K | 94.5 | Very high | 93.6 | Very high | 73 Ų | 73 | 55 Ų | 55 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -27.6 | 173.6 | -64.3 | 173.4 | -168.7 | 171.1 | 0 | 113.9 | F144 R173 E174 F175 H179 | F144-K177 HydrophobicContact CD1-CB 4.46Å; F144-K177 HydrophobicContact CD1-CG 3.65Å; F144-K177 HydrophobicContact CD2-CG 4.09Å; F144-K177 HydrophobicContact CE1-CD 4.25Å; F144-K177 HydrophobicContact CE1-CG 3.75Å; F144-K177 HydrophobicContact CE2-CG 4.16Å; F144-K177 HydrophobicContact CG-CG 3.84Å; F144-K177 HydrophobicContact CZ-CD 4.4Å; F144-K177 HydrophobicContact CZ-CG 4.01Å; R173-K177 PolarHBondContact O-N 2.82Å; E174-K177 WeakPolarHBondContact O-CB 3.42Å; E174-K177 PolarHBondContact O-N 3.23Å; E174-K177 WeakPolarHBondContact OE1-CE 3.31Å; E174-K177 IonicContact OE1-NZ 2.71Å; E174-K177 PolarHBondContact OE1-NZ 3.25Å; E174-K177 WeakPolarHBondContact OE2-CE 3.41Å; E174-K177 IonicContact OE2-NZ 3.5Å; E174-K177 PolarHBondContact OE2-NZ 2.92Å; F175-K177 PolarHBondContact O-N 2.98Å; K177-H179 VanDerWaalsContact C-N 3.29Å |
| 178 | S | 94.2 | Very high | 93.9 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 58% | 0.58 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -4.7 | -179.6 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | F175 H176 | F175-S178 PolarHBondContact O-N 3.5Å; F175-S178 PolarHBondContact O-OG 3.45Å; H176-S178 VanDerWaalsContact C-N 3.31Å; H176-S178 PolarHBondContact O-N 2.91Å |
| 179 | H | 94.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 3.6 | -171.4 | -62.5 | -15.8 | 0 | 0 | 0 | 114.1 | S134 Y135 Q138 F175 H176 K177 G181 L182 | S134-H179 PolarHBondContact OG-CD2 2.73Å; S134-H179 PolarHBondContact OG-NE2 3.3Å; Y135-H179 AromaticContact CD1-CD2 3.74Å; Y135-H179 AromaticContact CD1-NE2 3.61Å; Y135-H179 AromaticContact CE1-CD2 3.92Å; Y135-H179 AromaticContact CE1-CE1 3.48Å; Y135-H179 VanDerWaalsContact CE1-CE1 3.48Å; Y135-H179 WeakPolarHBondContact CE1-CE1 3.49Å; Y135-H179 AromaticContact CE1-ND1 3.9Å; Y135-H179 AromaticContact CE1-NE2 3.48Å; Y135-H179 WeakPolarHBondContact CE1-NE2 3.39Å; Y135-H179 AromaticContact CZ-CE1 3.89Å; Q138-H179 HydrophobicContact CB-CB 4.24Å; Q138-H179 VanDerWaalsContact CD-O 3.29Å; Q138-H179 HydrophobicContact CG-CB 4.01Å; Q138-H179 PolarHBondContact NE2-O 3.07Å; Q138-H179 PolarHBondContact OE1-O 2.93Å; F175-H179 PolarHBondContact O-CD2 3.05Å; F175-H179 PolarHBondContact O-NE2 3.11Å; H176-H179 PolarHBondContact O-N 3.13Å; K177-H179 VanDerWaalsContact C-N 3.29Å; H179-G181 PolarHBondContact O-N 2.83Å; H179-L182 HydrophobicContact CB-CD1 4.01Å; H179-L182 WeakPolarHBondContact O-CB 3.26Å; H179-L182 PolarHBondContact O-N 2.87Å |
| 180 | V | 94.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 125.7 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | D143 F144 | D143-V180 HydrophobicContact CB-CG1 4.23Å; D143-V180 HydrophobicContact CB-CG2 4.46Å; D143-V180 WeakPolarHBondContact OD1-CA 3.27Å; F144-V180 HydrophobicContact CB-CG2 4.12Å |
| 181 | G | 93.2 | Very high | 94.5 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 58% | 0.577 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -12.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D143 H179 T183 | D143-G181 PolarHBondContact OD1-N 2.88Å; H179-G181 PolarHBondContact O-N 2.83Å; G181-T183 PolarHBondContact O-N 3.19Å |
| 182 | L | 94.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 29% | 0.293 | 26% | 0.257 | S | S | . | . | trans | -74 | 123.4 | 174.2 | -73.6 | 171.7 | 0 | 0 | 0 | 110.9 | Y135 Q138 H179 E186 | Y135-L182 HydrophobicContact CE1-CD1 4.22Å; Q138-L182 HydrophobicContact CG-CB 4.1Å; Q138-L182 PolarHBondContact NE2-O 3.27Å; H179-L182 HydrophobicContact CB-CD1 4.01Å; H179-L182 WeakPolarHBondContact O-CB 3.26Å; H179-L182 PolarHBondContact O-N 2.87Å; L182-E186 HydrophobicContact CD2-CB 4.05Å | ||
| 183 | T | 93.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 41% | 0.405 | 27% | 0.267 | S | S | . | . | trans | -68.4 | 157.9 | 172.4 | 68.1 | 0 | 0 | 0 | 0 | 111 | G181 T185 E186 A187 | G181-T183 PolarHBondContact O-N 3.19Å; T183-T185 PolarHBondContact O-N 3.33Å; T183-T185 VanDerWaalsContact O-N 3.11Å; T183-E186 VanDerWaalsContact CB-OE2 3.23Å; T183-E186 WeakPolarHBondContact CB-OE2 3.49Å; T183-E186 VanDerWaalsContact CG2-OE2 3.27Å; T183-E186 WeakPolarHBondContact CG2-OE2 3.22Å; T183-E186 PolarHBondContact N-OE2 3.43Å; T183-E186 PolarHBondContact O-N 2.94Å; T183-E186 WeakPolarHBondContact OG1-CG 3.18Å; T183-E186 PolarHBondContact OG1-N 2.93Å; T183-E186 PolarHBondContact OG1-OE2 3.24Å; T183-A187 WeakPolarHBondContact O-CB 3.47Å; T183-A187 PolarHBondContact O-N 3.46Å | ||
| 184 | P | 94 | Very high | 94.8 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56 | -30.7 | 177.7 | -28.2 | 36.3 | 0 | 0 | 0 | 114.1 | A139 D188 | A139-P184 HydrophobicContact CB-CB 4.2Å; P184-D188 WeakPolarHBondContact O-CB 3.32Å; P184-D188 PolarHBondContact O-N 3.03Å |
| 185 | T | 92.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.3 | -37.2 | 177.9 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | T183 F189 | T183-T185 PolarHBondContact O-N 3.33Å; T183-T185 VanDerWaalsContact O-N 3.11Å; T185-F189 PolarHBondContact O-N 3.47Å |
| 186 | E | 94.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 43.3 Ų | 43.3 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -78.2 | -37.2 | 176.6 | -66.9 | 156.5 | 145 | 0 | 0 | 111 | L182 T183 F189 A190 | L182-E186 HydrophobicContact CD2-CB 4.05Å; T183-E186 VanDerWaalsContact CB-OE2 3.23Å; T183-E186 WeakPolarHBondContact CB-OE2 3.49Å; T183-E186 VanDerWaalsContact CG2-OE2 3.27Å; T183-E186 WeakPolarHBondContact CG2-OE2 3.22Å; T183-E186 PolarHBondContact N-OE2 3.43Å; T183-E186 PolarHBondContact O-N 2.94Å; T183-E186 WeakPolarHBondContact OG1-CG 3.18Å; T183-E186 PolarHBondContact OG1-N 2.93Å; T183-E186 PolarHBondContact OG1-OE2 3.24Å; E186-F189 PolarHBondContact O-N 3.42Å; E186-A190 WeakPolarHBondContact O-CB 3.44Å; E186-A190 PolarHBondContact O-N 3.44Å |
| 187 | A | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q138 A139 T183 F189 L191 | Q138-A187 HydrophobicContact CB-CB 4.3Å; Q138-A187 HydrophobicContact CG-CB 4.05Å; A139-A187 HydrophobicContact CB-CB 3.92Å; T183-A187 WeakPolarHBondContact O-CB 3.47Å; T183-A187 PolarHBondContact O-N 3.46Å; A187-F189 VanDerWaalsContact C-N 3.35Å; A187-L191 WeakPolarHBondContact O-CB 3.5Å; A187-L191 PolarHBondContact O-N 3.29Å |
| 188 | D | 95.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.043 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 169.7 | -79.4 | -15.2 | 0 | 0 | 0 | 111.9 | A110 P184 L191 L192 R336 | A110-D188 HydrophobicContact CB-CB 4.33Å; A110-D188 VanDerWaalsContact CB-OD1 3.23Å; A110-D188 WeakPolarHBondContact CB-OD1 3.5Å; P184-D188 WeakPolarHBondContact O-CB 3.32Å; P184-D188 PolarHBondContact O-N 3.03Å; D188-L191 WeakPolarHBondContact O-CB 3.32Å; D188-L191 PolarHBondContact O-N 3.08Å; D188-L192 VanDerWaalsContact O-CG 3.29Å; D188-L192 WeakPolarHBondContact O-CG 3.1Å; D188-L192 PolarHBondContact O-N 2.92Å; D188-R336 IonicContact OD1-CZ 2.68Å; D188-R336 IonicContact OD1-NH2 2.73Å; D188-R336 PolarHBondContact OD1-NH2 2.81Å; D188-R336 IonicContact OD2-CZ 3.94Å; D188-R336 IonicContact OD2-NH2 2.62Å; D188-R336 PolarHBondContact OD2-NH2 3.09Å |
| 189 | F | 94.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | -179.9 | -175.6 | -95.9 | 0 | 0 | 0 | 112.1 | P97 N98 T185 E186 A187 L191 L192 D193 | P97-F189 HydrophobicContact CB-CE2 4.46Å; P97-F189 HydrophobicContact CG-CE2 4.36Å; N98-F189 WeakPolarHBondContact OD1-CZ 3.49Å; T185-F189 PolarHBondContact O-N 3.47Å; E186-F189 PolarHBondContact O-N 3.42Å; A187-F189 VanDerWaalsContact C-N 3.35Å; F189-L191 VanDerWaalsContact C-N 3.33Å; F189-L191 PolarHBondContact O-N 2.96Å; F189-L192 PolarHBondContact O-N 3.27Å; F189-D193 WeakPolarHBondContact O-CB 3.2Å; F189-D193 PolarHBondContact O-N 3.25Å |
| 190 | A | 96.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y135 E186 T194 | Y135-A190 HydrophobicContact CD1-CB 4.16Å; Y135-A190 HydrophobicContact CE1-CB 3.79Å; Y135-A190 HydrophobicContact CE2-CB 4.33Å; E186-A190 WeakPolarHBondContact O-CB 3.44Å; E186-A190 PolarHBondContact O-N 3.44Å; A190-T194 VanDerWaalsContact O-CB 3.25Å; A190-T194 WeakPolarHBondContact O-CB 3.24Å; A190-T194 PolarHBondContact O-N 2.6Å; A190-T194 PolarHBondContact O-OG1 2.84Å |
| 191 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 170.7 | 178.1 | 162.5 | 0 | 0 | 0 | 111.2 | A110 I113 L132 Y135 I136 A187 D188 F189 T194 A195 | A110-L191 HydrophobicContact CB-CD1 4.29Å; A110-L191 HydrophobicContact CB-CD2 4.27Å; I113-L191 HydrophobicContact CB-CD2 3.91Å; I113-L191 HydrophobicContact CG1-CD2 4.16Å; I113-L191 HydrophobicContact CG2-CD2 3.84Å; L132-L191 HydrophobicContact CD2-CG 4.24Å; L132-L191 WeakPolarHBondContact CD2-O 3.44Å; Y135-L191 HydrophobicContact CD2-CB 4.28Å; Y135-L191 HydrophobicContact CG-CB 4.33Å; I136-L191 HydrophobicContact CD1-CD1 4.24Å; I136-L191 HydrophobicContact CG1-CD1 3.4Å; I136-L191 VanDerWaalsContact CG1-CD1 3.4Å; A187-L191 WeakPolarHBondContact O-CB 3.5Å; A187-L191 PolarHBondContact O-N 3.29Å; D188-L191 WeakPolarHBondContact O-CB 3.32Å; D188-L191 PolarHBondContact O-N 3.08Å; F189-L191 VanDerWaalsContact C-N 3.33Å; F189-L191 PolarHBondContact O-N 2.96Å; L191-T194 PolarHBondContact O-N 2.88Å; L191-A195 WeakPolarHBondContact O-CB 3.21Å; L191-A195 PolarHBondContact O-N 3.13Å |
| 192 | L | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.6 | -38 | -178 | -66.3 | 175 | 0 | 0 | 0 | 112.6 | P97 R106 F109 I113 D188 F189 T194 A195 R196 | P97-L192 HydrophobicContact CB-CB 3.83Å; P97-L192 HydrophobicContact CB-CD1 4.3Å; P97-L192 HydrophobicContact CG-CB 4.21Å; R106-L192 HydrophobicContact CB-CD1 4.24Å; R106-L192 HydrophobicContact CG-CD1 4.2Å; F109-L192 HydrophobicContact CB-CD1 3.89Å; F109-L192 HydrophobicContact CB-CD2 3.84Å; I113-L192 HydrophobicContact CG1-CD2 4.11Å; D188-L192 VanDerWaalsContact O-CG 3.29Å; D188-L192 WeakPolarHBondContact O-CG 3.1Å; D188-L192 PolarHBondContact O-N 2.92Å; F189-L192 PolarHBondContact O-N 3.27Å; L192-T194 VanDerWaalsContact C-N 3.32Å; L192-A195 PolarHBondContact O-N 3.17Å; L192-R196 WeakPolarHBondContact O-CG 3.1Å; L192-R196 PolarHBondContact O-N 3.42Å |
| 193 | D | 95.9 | Very high | 95 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -33 | 172.9 | -178.3 | 58.7 | 0 | 0 | 0 | 112.4 | F189 R196 K197 | F189-D193 WeakPolarHBondContact O-CB 3.2Å; F189-D193 PolarHBondContact O-N 3.25Å; D193-R196 WeakPolarHBondContact O-CG 3.26Å; D193-R196 IonicContact OD1-CZ 3.61Å; D193-R196 IonicContact OD1-NE 2.67Å; D193-R196 PolarHBondContact OD1-NE 3.47Å; D193-R196 IonicContact OD1-NH2 3.52Å; D193-R196 PolarHBondContact OD1-NH2 2.68Å; D193-K197 VanDerWaalsContact O-CD 3.25Å; D193-K197 WeakPolarHBondContact O-CD 3.4Å; D193-K197 WeakPolarHBondContact O-CE 3.09Å; D193-K197 WeakPolarHBondContact O-CG 3.23Å; D193-K197 IonicContact OD1-NZ 3.42Å; D193-K197 WeakPolarHBondContact OD2-CE 3.22Å; D193-K197 IonicContact OD2-NZ 3.74Å; D193-K197 PolarHBondContact OD2-NZ 3.03Å |
| 194 | T | 96.4 | Very high | 95 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.8 | -43.6 | 170.7 | -58 | 0 | 0 | 0 | 0 | 111.2 | L131 L132 A190 L191 L192 K197 | L131-T194 HydrophobicContact CD2-CG2 4.1Å; L132-T194 HydrophobicContact CD2-CG2 3.7Å; L132-T194 HydrophobicContact CG-CG2 4.3Å; A190-T194 VanDerWaalsContact O-CB 3.25Å; A190-T194 WeakPolarHBondContact O-CB 3.24Å; A190-T194 PolarHBondContact O-N 2.6Å; A190-T194 PolarHBondContact O-OG1 2.84Å; L191-T194 PolarHBondContact O-N 2.88Å; L192-T194 VanDerWaalsContact C-N 3.32Å; T194-K197 PolarHBondContact O-N 2.94Å |
| 195 | A | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I113 L132 L191 L192 K197 I198 Y201 | I113-A195 HydrophobicContact CD1-CB 4.16Å; I113-A195 HydrophobicContact CG1-CB 4.26Å; I113-A195 HydrophobicContact CG2-CB 4.3Å; L132-A195 HydrophobicContact CD2-CB 4.08Å; L191-A195 WeakPolarHBondContact O-CB 3.21Å; L191-A195 PolarHBondContact O-N 3.13Å; L192-A195 PolarHBondContact O-N 3.17Å; A195-K197 PolarHBondContact O-N 3.42Å; A195-K197 VanDerWaalsContact O-N 3.1Å; A195-I198 WeakPolarHBondContact O-CB 3.35Å; A195-I198 PolarHBondContact O-N 2.89Å; A195-Y201 HydrophobicContact CB-CD2 4.09Å; A195-Y201 HydrophobicContact CB-CE2 4.29Å; A195-Y201 WeakPolarHBondContact O-CB 3.37Å |
| 196 | R | 95 | Very high | 95 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 34% | 0.343 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.2 | 179.8 | 70.4 | 175.5 | -177.8 | 125.5 | 0.4 | 114.3 | P95 L192 D193 I198 Y201 | P95-R196 VanDerWaalsContact O-CD 3.26Å; P95-R196 WeakPolarHBondContact O-CD 3.47Å; L192-R196 WeakPolarHBondContact O-CG 3.1Å; L192-R196 PolarHBondContact O-N 3.42Å; D193-R196 WeakPolarHBondContact O-CG 3.26Å; D193-R196 IonicContact OD1-CZ 3.61Å; D193-R196 IonicContact OD1-NE 2.67Å; D193-R196 PolarHBondContact OD1-NE 3.47Å; D193-R196 IonicContact OD1-NH2 3.52Å; D193-R196 PolarHBondContact OD1-NH2 2.68Å; R196-I198 VanDerWaalsContact C-N 3.29Å; R196-Y201 HydrophobicContact CB-CD1 4.38Å; R196-Y201 HydrophobicContact CB-CE1 4.17Å |
| 197 | K | 94.9 | Very high | 95 | Very high | 137 Ų | 137 | 34.5 Ų | 34.5 | 60% | 0.596 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.8 | 179.5 | -62.8 | 166.4 | -171 | 165.5 | 0 | 112.6 | D193 T194 A195 | D193-K197 VanDerWaalsContact O-CD 3.25Å; D193-K197 WeakPolarHBondContact O-CD 3.4Å; D193-K197 WeakPolarHBondContact O-CE 3.09Å; D193-K197 WeakPolarHBondContact O-CG 3.23Å; D193-K197 IonicContact OD1-NZ 3.42Å; D193-K197 WeakPolarHBondContact OD2-CE 3.22Å; D193-K197 IonicContact OD2-NZ 3.74Å; D193-K197 PolarHBondContact OD2-NZ 3.03Å; T194-K197 PolarHBondContact O-N 2.94Å; A195-K197 PolarHBondContact O-N 3.42Å; A195-K197 VanDerWaalsContact O-N 3.1Å |
| 198 | I | 94.7 | Very high | 95 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -91.2 | 131 | -178.3 | -57.2 | 173.5 | 0 | 0 | 0 | 109.9 | L122 L123 C124 T128 L132 A195 R196 F200 Y201 | L122-I198 HydrophobicContact CD1-CB 4.35Å; L122-I198 HydrophobicContact CD1-CG2 3.86Å; L122-I198 HydrophobicContact CD2-CD1 4.3Å; L123-I198 WeakPolarHBondContact O-CG2 3.41Å; C124-I198 HydrophobicContact CB-CD1 3.97Å; C124-I198 HydrophobicContact CB-CG2 3.82Å; T128-I198 HydrophobicContact CG2-CD1 3.57Å; T128-I198 HydrophobicContact CG2-CG1 4.03Å; L132-I198 HydrophobicContact CD1-CD1 3.61Å; A195-I198 WeakPolarHBondContact O-CB 3.35Å; A195-I198 PolarHBondContact O-N 2.89Å; R196-I198 VanDerWaalsContact C-N 3.29Å; I198-F200 PolarHBondContact O-N 3.26Å; I198-F200 VanDerWaalsContact O-N 3.09Å; I198-Y201 WeakPolarHBondContact O-CB 3.47Å; I198-Y201 PolarHBondContact O-N 2.93Å |
| 199 | E | 92.9 | Very high | 95 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 42% | 0.416 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.3 | -177.7 | 177.5 | 163.9 | -121.4 | 0 | 0 | 114.3 | V203 F228 K233 | E199-V203 VanDerWaalsContact O-CG2 3.31Å; E199-V203 WeakPolarHBondContact O-CG2 3.37Å; E199-F228 HydrophobicContact CG-CE1 4.28Å; E199-K233 WeakPolarHBondContact OE1-CB 3.34Å; E199-K233 WeakPolarHBondContact OE1-CD 3.46Å; E199-K233 WeakPolarHBondContact OE1-CE 3.44Å; E199-K233 IonicContact OE1-NZ 3.88Å; E199-K233 PolarHBondContact OE1-NZ 2.74Å |
| 200 | F | 94.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7.4 | 179.6 | -72.4 | -91 | 0 | 0 | 0 | 114.7 | L122 L123 I198 G202 V203 L205 F228 L231 | L122-F200 HydrophobicContact CD1-CB 4.25Å; L123-F200 HydrophobicContact CB-CB 4.18Å; L123-F200 HydrophobicContact CB-CD1 4.27Å; L123-F200 HydrophobicContact CB-CD2 3.78Å; L123-F200 HydrophobicContact CB-CE2 4.27Å; L123-F200 HydrophobicContact CB-CG 3.79Å; L123-F200 HydrophobicContact CD1-CD1 4.07Å; L123-F200 HydrophobicContact CD1-CE1 3.89Å; L123-F200 HydrophobicContact CD1-CE2 4.39Å; L123-F200 HydrophobicContact CD1-CG 4.4Å; L123-F200 HydrophobicContact CD1-CZ 4.07Å; L123-F200 HydrophobicContact CG-CD1 4.31Å; L123-F200 HydrophobicContact CG-CG 4.32Å; I198-F200 PolarHBondContact O-N 3.26Å; I198-F200 VanDerWaalsContact O-N 3.09Å; F200-G202 PolarHBondContact O-N 2.88Å; F200-G202 VanDerWaalsContact O-N 3.16Å; F200-V203 HydrophobicContact CB-CB 4.39Å; F200-V203 HydrophobicContact CD1-CB 4.07Å; F200-V203 HydrophobicContact CD1-CG1 3.84Å; F200-V203 HydrophobicContact CE1-CG1 4.24Å; F200-V203 WeakPolarHBondContact O-CB 3.44Å; F200-V203 PolarHBondContact O-N 2.91Å; F200-L205 HydrophobicContact CE1-CD1 4.35Å; F200-L205 HydrophobicContact CE1-CD2 4.38Å; F200-F228 HydrophobicContact CE1-CD1 4.35Å; F200-F228 AromaticContact CE1-CE1 3.92Å; F200-F228 HydrophobicContact CE1-CE1 3.92Å; F200-F228 HydrophobicContact CE1-CZ 4.23Å; F200-F228 HydrophobicContact CE2-CE1 4.3Å; F200-F228 HydrophobicContact CZ-CD1 4.01Å; F200-F228 AromaticContact CZ-CE1 3.64Å; F200-F228 HydrophobicContact CZ-CE1 3.64Å; F200-F228 HydrophobicContact CZ-CZ 4.37Å; F200-L231 HydrophobicContact CZ-CB 4.48Å; F200-L231 WeakPolarHBondContact CZ-O 3.48Å |
| 201 | Y | 95.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 41 Ų | 41 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 116.6 | 174.7 | 175.2 | -105.1 | 0 | 0 | 0 | 111.6 | Y93 T94 I113 A195 R196 I198 V203 | Y93-Y201 HydrophobicContact CD1-CD2 4.46Å; Y93-Y201 HydrophobicContact CD1-CE2 4.1Å; T94-Y201 WeakPolarHBondContact O-CE1 3.32Å; T94-Y201 PolarHBondContact O-OH 3.42Å; I113-Y201 HydrophobicContact CD1-CD2 3.97Å; I113-Y201 HydrophobicContact CD1-CE2 3.96Å; A195-Y201 HydrophobicContact CB-CD2 4.09Å; A195-Y201 HydrophobicContact CB-CE2 4.29Å; A195-Y201 WeakPolarHBondContact O-CB 3.37Å; R196-Y201 HydrophobicContact CB-CD1 4.38Å; R196-Y201 HydrophobicContact CB-CE1 4.17Å; I198-Y201 WeakPolarHBondContact O-CB 3.47Å; I198-Y201 PolarHBondContact O-N 2.93Å; Y201-V203 PolarHBondContact O-N 3.34Å |
| 202 | G | 93.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 4.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y93 F200 R204 | Y93-G202 VanDerWaalsContact CG-CA 3.45Å; F200-G202 PolarHBondContact O-N 2.88Å; F200-G202 VanDerWaalsContact O-N 3.16Å; G202-R204 PolarHBondContact O-N 2.8Å |
| 203 | V | 94.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | trans | -78.7 | 112.9 | -175.6 | 174 | 0 | 0 | 0 | 0 | 110.7 | E199 F200 Y201 L205 A219 T221 L226 F228 | E199-V203 VanDerWaalsContact O-CG2 3.31Å; E199-V203 WeakPolarHBondContact O-CG2 3.37Å; F200-V203 HydrophobicContact CB-CB 4.39Å; F200-V203 HydrophobicContact CD1-CB 4.07Å; F200-V203 HydrophobicContact CD1-CG1 3.84Å; F200-V203 HydrophobicContact CE1-CG1 4.24Å; F200-V203 WeakPolarHBondContact O-CB 3.44Å; F200-V203 PolarHBondContact O-N 2.91Å; Y201-V203 PolarHBondContact O-N 3.34Å; V203-L205 HydrophobicContact CG1-CD2 3.68Å; V203-L205 HydrophobicContact CG1-CG 4.22Å; V203-A219 HydrophobicContact CG1-CB 3.79Å; V203-T221 HydrophobicContact CG2-CG2 3.93Å; V203-L226 HydrophobicContact CG2-CD1 4.21Å; V203-F228 HydrophobicContact CG1-CE2 3.94Å; V203-F228 HydrophobicContact CG1-CZ 4.06Å; V203-F228 HydrophobicContact CG2-CZ 4.5Å | ||
| 204 | R | 93.1 | Very high | 93.7 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | trans | -108.1 | 107.1 | 169 | -53.6 | -56.2 | -177.5 | -178 | 0.5 | 109.2 | Y93 D116 T121 G202 H206 | Y93-R204 PolarHBondContact OH-NH2 2.75Å; D116-R204 IonicContact OD1-CZ 2.66Å; D116-R204 VanDerWaalsContact OD1-CZ 3.32Å; D116-R204 IonicContact OD1-NH1 3.5Å; D116-R204 PolarHBondContact OD1-NH1 3.32Å; D116-R204 IonicContact OD1-NH2 3.29Å; D116-R204 PolarHBondContact OD1-NH2 3.4Å; D116-R204 IonicContact OD2-CZ 3.85Å; D116-R204 IonicContact OD2-NH1 2.74Å; D116-R204 IonicContact OD2-NH2 2.66Å; D116-R204 PolarHBondContact OD2-NH2 3.4Å; T121-R204 PolarHBondContact OG1-NH1 2.72Å; G202-R204 PolarHBondContact O-N 2.8Å; R204-H206 PolarHBondContact O-CD2 3.44Å | ||
| 205 | L | 93.6 | Very high | 93.6 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | trans | -71.6 | 137.1 | -179.1 | -60.9 | 179.1 | 0 | 0 | 0 | 111.7 | F200 V203 N217 A219 F228 L231 | F200-L205 HydrophobicContact CE1-CD1 4.35Å; F200-L205 HydrophobicContact CE1-CD2 4.38Å; V203-L205 HydrophobicContact CG1-CD2 3.68Å; V203-L205 HydrophobicContact CG1-CG 4.22Å; L205-N217 HydrophobicContact CB-CB 4.2Å; L205-N217 HydrophobicContact CD1-CB 4.45Å; L205-N217 HydrophobicContact CD2-CB 4.01Å; L205-N217 HydrophobicContact CG-CB 4.45Å; L205-A219 HydrophobicContact CD2-CB 4.45Å; L205-F228 HydrophobicContact CD2-CD2 3.68Å; L205-F228 HydrophobicContact CD2-CE2 3.95Å; L205-F228 HydrophobicContact CD2-CG 4.19Å; L205-L231 HydrophobicContact CD1-CD2 3.59Å | ||
| 206 | H | 93.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.8 | 171.9 | -74.2 | -93.5 | 0 | 0 | 0 | 109.5 | R204 N217 L218 F268 F277 | R204-H206 PolarHBondContact O-CD2 3.44Å; H206-N217 CarbonylContact O-C 3.6Å; H206-N217 WeakPolarHBondContact O-CA 3.46Å; H206-L218 PolarHBondContact N-O 3.36Å; H206-L218 PolarHBondContact O-N 2.91Å; H206-F268 HydrophobicContact CB-CE1 4.11Å; H206-F277 HydrophobicContact CB-CD2 3.82Å; H206-F277 HydrophobicContact CB-CE2 4.08Å; H206-F277 AromaticContact CD2-CD2 3.79Å; H206-F277 AromaticContact CG-CD2 3.68Å |
| 207 | F | 94.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 133.7 | -178.3 | -173.7 | -103.1 | 0 | 0 | 0 | 111.3 | R209 A215 F268 | F207-R209 HydrophobicContact CE1-CG 4.3Å; F207-A215 HydrophobicContact CE2-CB 3.89Å; F207-A215 HydrophobicContact CZ-CB 3.91Å; F207-F268 WeakPolarHBondContact O-CD1 3.47Å |
| 208 | A | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L216 L218 F266 I267 F268 | A208-L216 PolarHBondContact N-O 3.09Å; A208-L216 PolarHBondContact O-N 3.3Å; A208-L218 HydrophobicContact CB-CD1 3.67Å; A208-L218 HydrophobicContact CB-CG 3.91Å; A208-F266 HydrophobicContact CB-CB 4.39Å; A208-I267 CarbonylContact C-O 3.57Å; A208-I267 WeakPolarHBondContact CA-O 3.07Å; A208-F268 HydrophobicContact CB-CE1 4.42Å; A208-F268 HydrophobicContact CB-CE2 4.4Å; A208-F268 HydrophobicContact CB-CZ 4.34Å |
| 209 | R | 95.4 | Very high | 93.8 | Very high | 73 Ų | 73 | 42.4 Ų | 42.4 | 28% | 0.275 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.1 | 175.4 | -49.4 | 172.6 | -159.9 | -107.4 | -2.8 | 109.1 | F207 L214 F266 I267 D269 | F207-R209 HydrophobicContact CE1-CG 4.3Å; R209-L214 CarbonylContact C-O 3.37Å; R209-L214 WeakPolarHBondContact CA-O 3.39Å; R209-F266 CarbonylContact O-C 3.52Å; R209-F266 WeakPolarHBondContact O-CA 3.48Å; R209-I267 HydrophobicContact CB-CB 4.42Å; R209-I267 PolarHBondContact N-O 3.47Å; R209-I267 PolarHBondContact O-N 2.73Å; R209-D269 IonicContact CZ-OD1 3.3Å; R209-D269 IonicContact NE-OD1 2.71Å; R209-D269 PolarHBondContact NE-OD1 2.73Å; R209-D269 VanDerWaalsContact NE-OD1 3.1Å; R209-D269 VanDerWaalsContact NH2-CG 3.29Å; R209-D269 IonicContact NH2-OD1 3.51Å; R209-D269 PolarHBondContact NH2-OD1 3.42Å; R209-D269 IonicContact NH2-OD2 2.73Å; R209-D269 PolarHBondContact NH2-OD2 3.04Å |
| 210 | D | 92.7 | Very high | 94 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 175.5 | 170.4 | -143.6 | -41.3 | 0 | 0 | 0 | 111 | E212 G213 L214 L216 | D210-E212 PolarHBondContact O-N 3.32Å; D210-G213 WeakPolarHBondContact O-CA 3.42Å; D210-G213 PolarHBondContact O-N 2.88Å; D210-L214 HydrophobicContact CB-CB 4.47Å; D210-L214 PolarHBondContact N-O 2.98Å; D210-L216 HydrophobicContact CB-CD1 3.83Å |
| 211 | H | 86.8 | Confident | 94 | Very high | 133 Ų | 133 | 38.4 Ų | 38.4 | 62% | 0.616 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.4 | 172.2 | 69.8 | -70.8 | 0 | 0 | 0 | 113.3 | G213 | H211-G213 PolarHBondContact O-N 3.5Š|
| 212 | E | 89.9 | Confident | 93.9 | Very high | 139 Ų | 139 | 40.2 Ų | 40.2 | 65% | 0.65 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -6.5 | 171.9 | -57.9 | -169.1 | 154.5 | 0 | 0 | 113.8 | D210 L214 | D210-E212 PolarHBondContact O-N 3.32Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 HydrophobicContact CB-CG 4.18Å; E212-L214 PolarHBondContact O-N 3.36Å; E212-L214 WeakPolarHBondContact OE2-CD1 3.21Å |
| 213 | G | 89.4 | Confident | 93.9 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | trans | 81.2 | 0 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D210 H211 A215 | D210-G213 WeakPolarHBondContact O-CA 3.42Å; D210-G213 PolarHBondContact O-N 2.88Å; H211-G213 PolarHBondContact O-N 3.5Å; G213-A215 PolarHBondContact O-N 3.01Å | ||
| 214 | L | 93.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | trans | -56.2 | 132.5 | 173.9 | -68.5 | 179 | 0 | 0 | 0 | 111.2 | R209 D210 E212 | R209-L214 CarbonylContact C-O 3.37Å; R209-L214 WeakPolarHBondContact CA-O 3.39Å; D210-L214 HydrophobicContact CB-CB 4.47Å; D210-L214 PolarHBondContact N-O 2.98Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 HydrophobicContact CB-CG 4.18Å; E212-L214 PolarHBondContact O-N 3.36Å; E212-L214 WeakPolarHBondContact OE2-CD1 3.21Å | ||
| 215 | A | 94.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 122.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F207 G213 | F207-A215 HydrophobicContact CE2-CB 3.89Å; F207-A215 HydrophobicContact CZ-CB 3.91Å; G213-A215 PolarHBondContact O-N 3.01Å |
| 216 | L | 96.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 162 | -176.4 | -62.6 | 174.3 | 0 | 0 | 0 | 110.3 | A208 D210 V227 Q229 F266 | A208-L216 PolarHBondContact N-O 3.09Å; A208-L216 PolarHBondContact O-N 3.3Å; D210-L216 HydrophobicContact CB-CD1 3.83Å; L216-V227 HydrophobicContact CB-CG1 4.48Å; L216-V227 HydrophobicContact CD1-CG1 3.94Å; L216-V227 HydrophobicContact CD2-CG1 4.27Å; L216-V227 HydrophobicContact CG-CG1 4.47Å; L216-Q229 HydrophobicContact CD2-CB 3.89Å; L216-Q229 HydrophobicContact CD2-CG 4.1Å; L216-F266 HydrophobicContact CD1-CD1 4.32Å; L216-F266 HydrophobicContact CD1-CE1 3.96Å |
| 217 | N | 95.7 | Very high | 94.4 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.2 | 166.5 | -63.7 | -85.8 | 0 | 0 | 0 | 109.3 | L205 H206 F228 | L205-N217 HydrophobicContact CB-CB 4.2Å; L205-N217 HydrophobicContact CD1-CB 4.45Å; L205-N217 HydrophobicContact CD2-CB 4.01Å; L205-N217 HydrophobicContact CG-CB 4.45Å; H206-N217 CarbonylContact O-C 3.6Å; H206-N217 WeakPolarHBondContact O-CA 3.46Å; N217-F228 HydrophobicContact CB-CB 4.31Å; N217-F228 PolarHBondContact N-O 2.86Å; N217-F228 PolarHBondContact O-N 3.27Å |
| 218 | L | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 145.9 | 176.3 | -58.6 | 178.1 | 0 | 0 | 0 | 110.1 | H206 A208 L226 V227 F266 F268 F277 | H206-L218 PolarHBondContact N-O 3.36Å; H206-L218 PolarHBondContact O-N 2.91Å; A208-L218 HydrophobicContact CB-CD1 3.67Å; A208-L218 HydrophobicContact CB-CG 3.91Å; L218-L226 WeakPolarHBondContact CA-O 3.18Å; L218-V227 HydrophobicContact CD2-CB 4.31Å; L218-V227 HydrophobicContact CD2-CG1 4.15Å; L218-V227 HydrophobicContact CD2-CG2 3.83Å; L218-F266 HydrophobicContact CD1-CB 3.75Å; L218-F266 HydrophobicContact CD1-CD1 4.22Å; L218-F266 HydrophobicContact CD1-CD2 4.01Å; L218-F266 HydrophobicContact CD1-CG 3.73Å; L218-F266 HydrophobicContact CD2-CD1 4.07Å; L218-F266 HydrophobicContact CD2-CD2 4.38Å; L218-F266 HydrophobicContact CD2-CE1 4.02Å; L218-F266 HydrophobicContact CD2-CE2 4.32Å; L218-F266 HydrophobicContact CD2-CG 4.25Å; L218-F266 HydrophobicContact CD2-CZ 4.14Å; L218-F268 HydrophobicContact CD1-CE2 4.09Å; L218-F268 HydrophobicContact CD1-CZ 3.84Å; L218-F277 HydrophobicContact CB-CE1 4.38Å; L218-F277 HydrophobicContact CB-CE2 3.74Å; L218-F277 HydrophobicContact CB-CZ 3.55Å; L218-F277 HydrophobicContact CD1-CE1 4.33Å; L218-F277 HydrophobicContact CD1-CZ 4.3Å |
| 219 | A | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 164.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | V203 L205 L225 L226 F228 | V203-A219 HydrophobicContact CG1-CB 3.79Å; L205-A219 HydrophobicContact CD2-CB 4.45Å; A219-L225 WeakPolarHBondContact O-CA 3.28Å; A219-L226 HydrophobicContact CB-CB 4.3Å; A219-L226 PolarHBondContact N-O 3.24Å; A219-L226 PolarHBondContact O-N 2.71Å; A219-F228 HydrophobicContact CB-CE2 4.13Å |
| 220 | V | 96.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.7 | 176.7 | -170.7 | 0 | 0 | 0 | 0 | 107.4 | L225 W239 F277 K280 H284 | V220-L225 HydrophobicContact CB-CD2 4.42Å; V220-L225 HydrophobicContact CG1-CD2 4.22Å; V220-L225 HydrophobicContact CG2-CD2 3.87Å; V220-W239 HydrophobicContact CG1-CH2 3.81Å; V220-W239 HydrophobicContact CG1-CZ2 3.7Å; V220-F277 HydrophobicContact CG2-CD2 4.32Å; V220-F277 HydrophobicContact CG2-CE1 4.15Å; V220-F277 HydrophobicContact CG2-CE2 3.69Å; V220-F277 HydrophobicContact CG2-CZ 3.57Å; V220-K280 HydrophobicContact CG2-CB 4.41Å; V220-H284 HydrophobicContact CG1-CB 3.53Å; V220-H284 VanDerWaalsContact CG1-CG 3.4Å |
| 221 | T | 95.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | trans | -140.4 | -179.4 | -179.2 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | V203 L223 G224 L226 W239 | V203-T221 HydrophobicContact CG2-CG2 3.93Å; T221-L223 PolarHBondContact O-N 3.36Å; T221-L223 PolarHBondContact OG1-N 2.95Å; T221-G224 PolarHBondContact N-O 3.09Å; T221-G224 PolarHBondContact O-N 2.85Å; T221-L226 HydrophobicContact CG2-CD1 3.68Å; T221-L226 HydrophobicContact CG2-CG 4.16Å; T221-W239 WeakPolarHBondContact O-CZ2 3.25Å; T221-W239 PolarHBondContact O-NE1 2.92Å | ||
| 222 | H | 93.5 | Very high | 94.6 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -61.5 | -27.4 | 172.7 | 61.9 | -100.9 | 0 | 0 | 0 | 112.7 | P95 W239 F288 | P95-H222 HydrophobicContact CG-CB 4.35Å; H222-W239 PolarHBondContact O-NE1 3.19Å; H222-F288 HydrophobicContact CB-CD1 3.89Å; H222-F288 HydrophobicContact CB-CD2 3.99Å; H222-F288 HydrophobicContact CB-CE1 3.72Å; H222-F288 HydrophobicContact CB-CE2 3.81Å; H222-F288 HydrophobicContact CB-CG 4.02Å; H222-F288 HydrophobicContact CB-CZ 3.67Å |
| 223 | L | 93.7 | Very high | 94.8 | Very high | 93 Ų | 93 | 41.8 Ų | 41.8 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -72.5 | -42.3 | 178 | -60.5 | 176.7 | 0 | 0 | 0 | 112.6 | T221 T236 S238 W239 | T221-L223 PolarHBondContact O-N 3.36Å; T221-L223 PolarHBondContact OG1-N 2.95Å; L223-T236 HydrophobicContact CB-CG2 4.42Å; L223-S238 WeakPolarHBondContact O-CA 3.43Å; L223-W239 PolarHBondContact O-N 3.34Å; L223-W239 VanDerWaalsContact O-N 3.14Å |
| 224 | G | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -151.8 | -167 | 0 | 0 | 0 | 0 | 0 | 113.9 | T221 F237 W239 | T221-G224 PolarHBondContact N-O 3.09Å; T221-G224 PolarHBondContact O-N 2.85Å; G224-F237 VanDerWaalsContact CA-O 3.26Å; G224-F237 WeakPolarHBondContact CA-O 3.2Å; G224-W239 VanDerWaalsContact CA-CE2 3.46Å |
| 225 | L | 96.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.1 | 166.1 | -56.3 | 173.3 | 0 | 0 | 0 | 109.1 | A219 V220 F237 W239 I242 L245 F252 V254 F277 S281 | A219-L225 WeakPolarHBondContact O-CA 3.28Å; V220-L225 HydrophobicContact CB-CD2 4.42Å; V220-L225 HydrophobicContact CG1-CD2 4.22Å; V220-L225 HydrophobicContact CG2-CD2 3.87Å; L225-F237 HydrophobicContact CB-CB 4.25Å; L225-F237 HydrophobicContact CB-CD2 4.26Å; L225-F237 PolarHBondContact N-O 2.84Å; L225-F237 PolarHBondContact O-N 2.97Å; L225-W239 HydrophobicContact CD2-CH2 3.67Å; L225-W239 HydrophobicContact CD2-CZ3 4.14Å; L225-W239 HydrophobicContact CG-CH2 4.04Å; L225-W239 HydrophobicContact CG-CZ3 4.07Å; L225-I242 HydrophobicContact CD1-CD1 3.83Å; L225-I242 HydrophobicContact CG-CD1 3.98Å; L225-L245 HydrophobicContact CD1-CD1 4.45Å; L225-L245 HydrophobicContact CD1-CD2 3.88Å; L225-F252 HydrophobicContact CD1-CE1 3.82Å; L225-F252 HydrophobicContact CD1-CZ 3.84Å; L225-V254 HydrophobicContact CD1-CG2 3.91Å; L225-F277 HydrophobicContact CD2-CE1 4.17Å; L225-F277 HydrophobicContact CD2-CZ 4.28Å; L225-S281 WeakPolarHBondContact CD2-OG 3.25Å |
| 226 | L | 96.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 144.1 | 177.9 | -51.3 | -174.2 | 0 | 0 | 0 | 110.2 | V203 L218 A219 T221 F228 K233 T236 | V203-L226 HydrophobicContact CG2-CD1 4.21Å; L218-L226 WeakPolarHBondContact CA-O 3.18Å; A219-L226 HydrophobicContact CB-CB 4.3Å; A219-L226 PolarHBondContact N-O 3.24Å; A219-L226 PolarHBondContact O-N 2.71Å; T221-L226 HydrophobicContact CG2-CD1 3.68Å; T221-L226 HydrophobicContact CG2-CG 4.16Å; L226-F228 HydrophobicContact CB-CD2 4.21Å; L226-F228 HydrophobicContact CB-CE2 3.59Å; L226-F228 HydrophobicContact CB-CZ 4.3Å; L226-F228 HydrophobicContact CD1-CE2 3.91Å; L226-F228 HydrophobicContact CD1-CZ 3.92Å; L226-F228 HydrophobicContact CG-CE2 4.42Å; L226-K233 HydrophobicContact CD2-CD 4.49Å; L226-T236 HydrophobicContact CD2-CG2 3.73Å |
| 227 | V | 96.8 | Very high | 95 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124.2 | 173.8 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | L216 L218 V234 N235 F237 F266 | L216-V227 HydrophobicContact CB-CG1 4.48Å; L216-V227 HydrophobicContact CD1-CG1 3.94Å; L216-V227 HydrophobicContact CD2-CG1 4.27Å; L216-V227 HydrophobicContact CG-CG1 4.47Å; L218-V227 HydrophobicContact CD2-CB 4.31Å; L218-V227 HydrophobicContact CD2-CG1 4.15Å; L218-V227 HydrophobicContact CD2-CG2 3.83Å; V227-V234 PolarHBondContact O-N 2.93Å; V227-N235 HydrophobicContact CB-CB 4Å; V227-N235 HydrophobicContact CG2-CB 4.04Å; V227-N235 PolarHBondContact N-O 2.89Å; V227-N235 PolarHBondContact O-N 3.01Å; V227-F237 HydrophobicContact CG2-CD2 4.16Å; V227-F237 HydrophobicContact CG2-CE2 3.54Å; V227-F237 HydrophobicContact CG2-CZ 4.37Å; V227-F266 HydrophobicContact CG2-CZ 4.02Å |
| 228 | F | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.7 | 177.4 | -63.4 | -98.5 | 0 | 0 | 0 | 111 | E199 F200 V203 L205 N217 A219 L226 I232 K233 | E199-F228 HydrophobicContact CG-CE1 4.28Å; F200-F228 HydrophobicContact CE1-CD1 4.35Å; F200-F228 AromaticContact CE1-CE1 3.92Å; F200-F228 HydrophobicContact CE1-CE1 3.92Å; F200-F228 HydrophobicContact CE1-CZ 4.23Å; F200-F228 HydrophobicContact CE2-CE1 4.3Å; F200-F228 HydrophobicContact CZ-CD1 4.01Å; F200-F228 AromaticContact CZ-CE1 3.64Å; F200-F228 HydrophobicContact CZ-CE1 3.64Å; F200-F228 HydrophobicContact CZ-CZ 4.37Å; V203-F228 HydrophobicContact CG1-CE2 3.94Å; V203-F228 HydrophobicContact CG1-CZ 4.06Å; V203-F228 HydrophobicContact CG2-CZ 4.5Å; L205-F228 HydrophobicContact CD2-CD2 3.68Å; L205-F228 HydrophobicContact CD2-CE2 3.95Å; L205-F228 HydrophobicContact CD2-CG 4.19Å; N217-F228 HydrophobicContact CB-CB 4.31Å; N217-F228 PolarHBondContact N-O 2.86Å; N217-F228 PolarHBondContact O-N 3.27Å; A219-F228 HydrophobicContact CB-CE2 4.13Å; L226-F228 HydrophobicContact CB-CD2 4.21Å; L226-F228 HydrophobicContact CB-CE2 3.59Å; L226-F228 HydrophobicContact CB-CZ 4.3Å; L226-F228 HydrophobicContact CD1-CE2 3.91Å; L226-F228 HydrophobicContact CD1-CZ 3.92Å; L226-F228 HydrophobicContact CG-CE2 4.42Å; F228-I232 CarbonylContact C-O 3.55Å; F228-I232 WeakPolarHBondContact CA-O 3.39Å; F228-K233 HydrophobicContact CD1-CB 3.87Å; F228-K233 HydrophobicContact CE1-CB 3.72Å; F228-K233 HydrophobicContact CE1-CG 4.23Å; F228-K233 HydrophobicContact CZ-CB 4.41Å; F228-K233 HydrophobicContact CZ-CG 4.45Å |
| 229 | Q | 95 | Very high | 94.8 | Very high | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.2 | 170.1 | -171 | -178.9 | 21 | 0 | 0 | 107.7 | L216 L231 I232 V234 | L216-Q229 HydrophobicContact CD2-CB 3.89Å; L216-Q229 HydrophobicContact CD2-CG 4.1Å; Q229-L231 PolarHBondContact O-N 3.38Å; Q229-L231 VanDerWaalsContact O-N 3.15Å; Q229-I232 PolarHBondContact N-O 3.44Å; Q229-I232 WeakPolarHBondContact O-CB 3.29Å; Q229-I232 PolarHBondContact O-N 3.36Å; Q229-V234 HydrophobicContact CB-CG2 3.56Å |
| 230 | N | 90.8 | Very high | 94.5 | Very high | 126 Ų | 126 | 47.8 Ų | 47.8 | 67% | 0.674 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.5 | -176.2 | -56.5 | -17.5 | 0 | 0 | 0 | 113.7 | I232 | N230-I232 PolarHBondContact O-N 3.15Š|
| 231 | L | 92 | Very high | 94.2 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 1 | -173.5 | -53 | 173.9 | 0 | 0 | 0 | 116.2 | L123 F200 L205 Q229 | L123-L231 HydrophobicContact CD1-CD1 4.04Å; L123-L231 HydrophobicContact CD1-CD2 4.27Å; F200-L231 HydrophobicContact CZ-CB 4.48Å; F200-L231 WeakPolarHBondContact CZ-O 3.48Å; L205-L231 HydrophobicContact CD1-CD2 3.59Å; Q229-L231 PolarHBondContact O-N 3.38Å; Q229-L231 VanDerWaalsContact O-N 3.15Å |
| 232 | I | 94 | Very high | 94 | Very high | 123 Ų | 123 | 52.8 Ų | 52.8 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131.9 | 171 | -57.1 | 173.8 | 0 | 0 | 0 | 109 | F228 Q229 N230 V234 | F228-I232 CarbonylContact C-O 3.55Å; F228-I232 WeakPolarHBondContact CA-O 3.39Å; Q229-I232 PolarHBondContact N-O 3.44Å; Q229-I232 WeakPolarHBondContact O-CB 3.29Å; Q229-I232 PolarHBondContact O-N 3.36Å; N230-I232 PolarHBondContact O-N 3.15Å; I232-V234 PolarHBondContact O-N 2.79Å |
| 233 | K | 94.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 115.6 | 176.6 | -171.3 | -175.9 | 70.5 | -127.4 | 0 | 110.6 | E199 L226 F228 | E199-K233 WeakPolarHBondContact OE1-CB 3.34Å; E199-K233 WeakPolarHBondContact OE1-CD 3.46Å; E199-K233 WeakPolarHBondContact OE1-CE 3.44Å; E199-K233 IonicContact OE1-NZ 3.88Å; E199-K233 PolarHBondContact OE1-NZ 2.74Å; L226-K233 HydrophobicContact CD2-CD 4.49Å; F228-K233 HydrophobicContact CD1-CB 3.87Å; F228-K233 HydrophobicContact CE1-CB 3.72Å; F228-K233 HydrophobicContact CE1-CG 4.23Å; F228-K233 HydrophobicContact CZ-CB 4.41Å; F228-K233 HydrophobicContact CZ-CG 4.45Å |
| 234 | V | 94.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 55 Ų | 55 | 53% | 0.527 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -34.7 | -179.1 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | V227 Q229 I232 | V227-V234 PolarHBondContact O-N 2.93Å; Q229-V234 HydrophobicContact CB-CG2 3.56Å; I232-V234 PolarHBondContact O-N 2.79Å |
| 235 | N | 94.4 | Very high | 93.6 | Very high | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 152.5 | -176.7 | -155 | -27.8 | 0 | 0 | 0 | 112.7 | V227 F237 | V227-N235 HydrophobicContact CB-CB 4Å; V227-N235 HydrophobicContact CG2-CB 4.04Å; V227-N235 PolarHBondContact N-O 2.89Å; V227-N235 PolarHBondContact O-N 3.01Å; N235-F237 HydrophobicContact CB-CZ 4.46Å; N235-F237 WeakPolarHBondContact ND2-CE1 3.21Å |
| 236 | T | 95.5 | Very high | 93.4 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 97.5 | 177 | -61.5 | 0 | 0 | 0 | 0 | 109.3 | L223 L226 S238 | L223-T236 HydrophobicContact CB-CG2 4.42Å; L226-T236 HydrophobicContact CD2-CG2 3.73Å; T236-S238 VanDerWaalsContact C-N 3.32Å; T236-S238 PolarHBondContact O-N 3.48Å |
| 237 | F | 94.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 85.1 | 171.1 | -54.1 | -64.4 | 0 | 0 | 0 | 109.5 | G224 L225 V227 N235 W239 I242 L256 I264 F266 | G224-F237 VanDerWaalsContact CA-O 3.26Å; G224-F237 WeakPolarHBondContact CA-O 3.2Å; L225-F237 HydrophobicContact CB-CB 4.25Å; L225-F237 HydrophobicContact CB-CD2 4.26Å; L225-F237 PolarHBondContact N-O 2.84Å; L225-F237 PolarHBondContact O-N 2.97Å; V227-F237 HydrophobicContact CG2-CD2 4.16Å; V227-F237 HydrophobicContact CG2-CE2 3.54Å; V227-F237 HydrophobicContact CG2-CZ 4.37Å; N235-F237 HydrophobicContact CB-CZ 4.46Å; N235-F237 WeakPolarHBondContact ND2-CE1 3.21Å; F237-W239 PolarHBondContact O-N 2.92Å; F237-I242 HydrophobicContact CB-CD1 4Å; F237-I242 HydrophobicContact CB-CG1 4.17Å; F237-I242 WeakPolarHBondContact O-CD1 3.09Å; F237-L256 HydrophobicContact CD1-CD1 4.37Å; F237-L256 HydrophobicContact CD1-CD2 4.14Å; F237-I264 HydrophobicContact CD1-CD1 4.22Å; F237-I264 HydrophobicContact CE1-CD1 3.31Å; F237-I264 HydrophobicContact CE2-CD1 4.5Å; F237-I264 HydrophobicContact CZ-CD1 3.49Å; F237-I264 VanDerWaalsContact CZ-CD1 3.49Å; F237-I264 HydrophobicContact CZ-CG2 4.25Å; F237-F266 AromaticContact CE2-CE2 3.99Å; F237-F266 HydrophobicContact CE2-CE2 3.99Å; F237-F266 AromaticContact CE2-CZ 3.89Å; F237-F266 HydrophobicContact CE2-CZ 3.89Å; F237-F266 HydrophobicContact CZ-CZ 4.38Å |
| 238 | S | 94.1 | Very high | 93 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49 | 139.8 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | L223 T236 A240 K241 I242 | L223-S238 WeakPolarHBondContact O-CA 3.43Å; T236-S238 VanDerWaalsContact C-N 3.32Å; T236-S238 PolarHBondContact O-N 3.48Å; S238-A240 PolarHBondContact O-N 2.98Å; S238-A240 PolarHBondContact OG-N 3.46Å; S238-K241 PolarHBondContact O-N 3.21Å; S238-I242 PolarHBondContact O-N 3.26Å |
| 239 | W | 93.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27.4 | 176.8 | -66.8 | 126.6 | 0 | 0 | 0 | 113.7 | V220 T221 H222 L223 G224 L225 F237 I242 L245 S281 H284 H285 R289 | V220-W239 HydrophobicContact CG1-CH2 3.81Å; V220-W239 HydrophobicContact CG1-CZ2 3.7Å; T221-W239 WeakPolarHBondContact O-CZ2 3.25Å; T221-W239 PolarHBondContact O-NE1 2.92Å; H222-W239 PolarHBondContact O-NE1 3.19Å; L223-W239 PolarHBondContact O-N 3.34Å; L223-W239 VanDerWaalsContact O-N 3.14Å; G224-W239 VanDerWaalsContact CA-CE2 3.46Å; L225-W239 HydrophobicContact CD2-CH2 3.67Å; L225-W239 HydrophobicContact CD2-CZ3 4.14Å; L225-W239 HydrophobicContact CG-CH2 4.04Å; L225-W239 HydrophobicContact CG-CZ3 4.07Å; F237-W239 PolarHBondContact O-N 2.92Å; W239-I242 HydrophobicContact CE3-CD1 3.85Å; W239-I242 HydrophobicContact CZ3-CD1 3.98Å; W239-L245 HydrophobicContact CZ3-CD1 4.15Å; W239-S281 WeakPolarHBondContact CH2-O 3.48Å; W239-H284 HydrophobicContact CH2-CB 4.29Å; W239-H284 HydrophobicContact CZ2-CB 3.66Å; W239-H285 HydrophobicContact CD2-CB 4.17Å; W239-H285 HydrophobicContact CE3-CB 3.73Å; W239-H285 AromaticContact CE3-CD2 3.91Å; W239-H285 HydrophobicContact CH2-CB 4.31Å; W239-H285 HydrophobicContact CZ3-CB 3.82Å; W239-R289 VanDerWaalsContact O-CZ 3.26Å; W239-R289 PolarHBondContact O-NH1 3.08Å |
| 240 | A | 90.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -30.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | S238 | S238-A240 PolarHBondContact O-N 2.98Å; S238-A240 PolarHBondContact OG-N 3.46Å |
| 241 | K | 90 | Very high | 93 | Very high | 129 Ų | 129 | 63.1 Ų | 63.1 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -22.6 | 178.9 | -66.1 | -174.9 | 178.5 | -178.3 | 0 | 112.4 | S238 L256 H257 | S238-K241 PolarHBondContact O-N 3.21Å; K241-L256 HydrophobicContact CB-CD2 4.37Å; K241-L256 CarbonylContact O-C 3.46Å; K241-L256 VanDerWaalsContact O-CA 3.27Å; K241-L256 WeakPolarHBondContact O-CA 3.49Å; K241-H257 PolarHBondContact O-N 3.19Å |
| 242 | I | 92 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.6 | -175.4 | -60.8 | 169.2 | 0 | 0 | 0 | 111.8 | L225 F237 S238 W239 L245 V254 L256 I1062 | L225-I242 HydrophobicContact CD1-CD1 3.83Å; L225-I242 HydrophobicContact CG-CD1 3.98Å; F237-I242 HydrophobicContact CB-CD1 4Å; F237-I242 HydrophobicContact CB-CG1 4.17Å; F237-I242 WeakPolarHBondContact O-CD1 3.09Å; S238-I242 PolarHBondContact O-N 3.26Å; W239-I242 HydrophobicContact CE3-CD1 3.85Å; W239-I242 HydrophobicContact CZ3-CD1 3.98Å; I242-L245 HydrophobicContact CG2-CD2 3.67Å; I242-L245 HydrophobicContact CG2-CG 3.84Å; I242-V254 HydrophobicContact CD1-CG1 4.49Å; I242-V254 HydrophobicContact CG1-CG1 4.12Å; I242-V254 HydrophobicContact CG2-CG1 4.33Å; I242-L256 HydrophobicContact CG1-CD2 4.08Å; I242-I1062 HydrophobicContact CG2-CD1 3.85Å; I242-I1062 WeakPolarHBondContact O-CG2 3.4Å |
| 243 | R | 89.4 | Confident | 93.2 | Very high | 125 Ų | 125 | 54.7 Ų | 54.7 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -33.5 | 177.9 | -175.8 | 176.9 | 175.6 | 167.9 | 1.6 | 113.8 | K255 L256 I1062 | R243-K255 WeakPolarHBondContact CA-O 3.22Å; R243-K255 WeakPolarHBondContact CB-O 3.48Å; R243-K255 PolarHBondContact N-O 3Å; R243-L256 WeakPolarHBondContact CB-O 3.48Å; R243-I1062 PolarHBondContact O-N 3.35Å; R243-I1062 VanDerWaalsContact O-O 3.05Å |
| 244 | K | 90.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 27% | 0.265 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 134.5 | 178.8 | -170.8 | -177.7 | -176.7 | 173.7 | 0 | 110.7 | K255 G1059 V1060 I1061 | K244-K255 HydrophobicContact CB-CB 4.15Å; K244-K255 PolarHBondContact N-O 2.87Å; K244-K255 PolarHBondContact O-N 3.44Å; K244-G1059 WeakPolarHBondContact CE-O 3.23Å; K244-V1060 VanDerWaalsContact CG-O 3.28Å; K244-V1060 WeakPolarHBondContact CG-O 3.48Å; K244-I1061 HydrophobicContact CD-CG1 4.05Å; K244-I1061 HydrophobicContact CG-CG1 4.19Å |
| 245 | L | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.1 | 168 | -66.1 | -176 | 0 | 0 | 0 | 110.7 | L225 W239 I242 F252 V254 W278 S281 I282 G1059 V1060 I1062 | L225-L245 HydrophobicContact CD1-CD1 4.45Å; L225-L245 HydrophobicContact CD1-CD2 3.88Å; W239-L245 HydrophobicContact CZ3-CD1 4.15Å; I242-L245 HydrophobicContact CG2-CD2 3.67Å; I242-L245 HydrophobicContact CG2-CG 3.84Å; L245-F252 HydrophobicContact CD1-CZ 4.41Å; L245-F252 HydrophobicContact CD2-CZ 3.92Å; L245-V254 HydrophobicContact CD2-CB 4.22Å; L245-V254 HydrophobicContact CD2-CG1 3.98Å; L245-V254 HydrophobicContact CD2-CG2 3.86Å; L245-W278 PolarHBondContact O-NE1 3.34Å; L245-W278 VanDerWaalsContact O-NE1 3.1Å; L245-S281 VanDerWaalsContact CD1-CB 3.48Å; L245-I282 HydrophobicContact CB-CD1 4.09Å; L245-I282 HydrophobicContact CD1-CD1 4.3Å; L245-G1059 CarbonylContact O-C 3.6Å; L245-G1059 WeakPolarHBondContact O-CA 3.26Å; L245-V1060 PolarHBondContact N-O 2.82Å; L245-V1060 PolarHBondContact O-N 2.86Å; L245-I1062 HydrophobicContact CD1-CD1 4.07Å; L245-I1062 HydrophobicContact CG-CD1 3.9Å |
| 246 | S | 92.6 | Very high | 93 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 160.3 | -176.2 | -7.1 | 0 | 0 | 0 | 0 | 111 | F252 L253 T1058 | S246-F252 WeakPolarHBondContact O-CD2 3.25Å; S246-L253 PolarHBondContact N-O 3.09Å; S246-L253 PolarHBondContact O-N 3.2Å; S246-L253 PolarHBondContact OG-O 2.86Å; S246-T1058 CarbonylContact C-O 3.53Å; S246-T1058 WeakPolarHBondContact CA-O 3.4Å; S246-T1058 VanDerWaalsContact CB-O 3.26Å; S246-T1058 WeakPolarHBondContact CB-O 3.28Å |
| 247 | F | 93 | Very high | 92.5 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.6 | 161.8 | 80.8 | -78.5 | 0 | 0 | 0 | 111.4 | R251 K275 W278 T1058 | F247-R251 CarbonylContact C-O 3.58Å; F247-R251 WeakPolarHBondContact CA-O 3.45Å; F247-R251 WeakPolarHBondContact CB-O 3.29Å; F247-K275 HydrophobicContact CD2-CB 4.21Å; F247-K275 HydrophobicContact CE1-CB 4.49Å; F247-K275 HydrophobicContact CE1-CG 4.26Å; F247-K275 HydrophobicContact CE2-CB 3.71Å; F247-K275 HydrophobicContact CE2-CD 4.22Å; F247-K275 HydrophobicContact CE2-CG 4.02Å; F247-K275 HydrophobicContact CZ-CB 3.88Å; F247-K275 HydrophobicContact CZ-CD 3.97Å; F247-K275 HydrophobicContact CZ-CG 3.67Å; F247-W278 HydrophobicContact CB-CB 4.32Å; F247-W278 HydrophobicContact CB-CG 4.34Å; F247-W278 HydrophobicContact CD1-CB 4.08Å; F247-W278 AromaticContact CD1-CD2 3.49Å; F247-W278 HydrophobicContact CD1-CD2 3.49Å; F247-W278 VanDerWaalsContact CD1-CD2 3.49Å; F247-W278 AromaticContact CD1-CE2 3.95Å; F247-W278 AromaticContact CD1-CE3 3.77Å; F247-W278 HydrophobicContact CD1-CE3 3.77Å; F247-W278 AromaticContact CD1-CG 3.63Å; F247-W278 HydrophobicContact CD1-CG 3.63Å; F247-W278 HydrophobicContact CD1-CZ3 4.43Å; F247-W278 AromaticContact CE1-CD2 3.83Å; F247-W278 HydrophobicContact CE1-CD2 3.83Å; F247-W278 AromaticContact CE1-CE3 3.6Å; F247-W278 HydrophobicContact CE1-CE3 3.6Å; F247-W278 HydrophobicContact CE1-CG 4.39Å; F247-W278 HydrophobicContact CE1-CH2 4.39Å; F247-W278 AromaticContact CE1-CZ3 3.91Å; F247-W278 HydrophobicContact CE1-CZ3 3.91Å; F247-W278 HydrophobicContact CG-CB 4.43Å; F247-W278 HydrophobicContact CG-CG 4.35Å; F247-T1058 WeakPolarHBondContact CD1-OG1 3.35Å; F247-T1058 WeakPolarHBondContact CE1-OG1 3.32Å; F247-T1058 WeakPolarHBondContact CZ-OG1 3.31Å; F247-T1058 PolarHBondContact N-O 3.2Å; F247-T1058 PolarHBondContact O-N 2.95Å; F247-T1058 PolarHBondContact O-OG1 2.94Å |
| 248 | K | 92.1 | Very high | 91.5 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 108.8 | 179.5 | -170.1 | 174.9 | -174.3 | 170.8 | 0 | 109.7 | K250 R251 L253 E1055 T1057 | K248-K250 PolarHBondContact O-N 3.36Å; K248-K250 VanDerWaalsContact O-N 3.16Å; K248-R251 PolarHBondContact N-O 2.7Å; K248-R251 WeakPolarHBondContact O-CB 3.43Å; K248-R251 PolarHBondContact O-N 3.01Å; K248-L253 HydrophobicContact CB-CD1 4.31Å; K248-E1055 WeakPolarHBondContact CE-OE2 3.46Å; K248-E1055 IonicContact NZ-OE2 2.7Å; K248-E1055 PolarHBondContact NZ-OE2 3.18Å; K248-T1057 HydrophobicContact CB-CG2 4.38Å; K248-T1057 HydrophobicContact CD-CG2 4.22Å; K248-T1057 WeakPolarHBondContact CD-OG1 3.42Å; K248-T1057 WeakPolarHBondContact CE-OG1 3.4Å; K248-T1057 PolarHBondContact NZ-OG1 3.3Å |
| 249 | R | 91.7 | Very high | 89.7 | Confident | 153 Ų | 153 | 59.4 Ų | 59.4 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -111.5 | -171.7 | -57.2 | 176.9 | 176.8 | 108.3 | -0 | 110.4 | R271 E1055 | R249-R271 WeakPolarHBondContact O-CG 3.41Å; R249-E1055 IonicContact NH1-OE1 3.28Å; R249-E1055 IonicContact NH2-OE1 2.71Å |
| 250 | K | 94.8 | Very high | 88.1 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -2.3 | 175.5 | -54.9 | -165.1 | -174.3 | -172.4 | 0 | 114.3 | K248 F268 D269 C274 | K248-K250 PolarHBondContact O-N 3.36Å; K248-K250 VanDerWaalsContact O-N 3.16Å; K250-F268 WeakPolarHBondContact CB-O 3.25Å; K250-F268 VanDerWaalsContact CD-O 3.27Å; K250-F268 WeakPolarHBondContact CD-O 3.4Å; K250-F268 PolarHBondContact O-N 3.35Å; K250-D269 WeakPolarHBondContact CD-O 3.35Å; K250-D269 VanDerWaalsContact CE-O 3.26Å; K250-D269 WeakPolarHBondContact CE-O 3.49Å; K250-D269 PolarHBondContact NZ-O 3.11Å; K250-C274 VanDerWaalsContact C-SG 3.54Å; K250-C274 PolarHBondContact O-SG 2.78Å; K250-C274 VanDerWaalsContact O-SG 3.4Å |
| 251 | R | 95.3 | Very high | 86.8 | Confident | 93 Ų | 93 | 71 Ų | 71 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.5 | -174.8 | -57.3 | -170.7 | -89.6 | -112.3 | 25.8 | 111.1 | F247 K248 E265 F266 | F247-R251 CarbonylContact C-O 3.58Å; F247-R251 WeakPolarHBondContact CA-O 3.45Å; F247-R251 WeakPolarHBondContact CB-O 3.29Å; K248-R251 PolarHBondContact N-O 2.7Å; K248-R251 WeakPolarHBondContact O-CB 3.43Å; K248-R251 PolarHBondContact O-N 3.01Å; R251-E265 HydrophobicContact CB-CG 4.26Å; R251-E265 WeakPolarHBondContact CD-OE1 3.48Å; R251-E265 VanDerWaalsContact CD-OE2 3.27Å; R251-E265 WeakPolarHBondContact CD-OE2 3.2Å; R251-E265 HydrophobicContact CG-CG 4.45Å; R251-E265 IonicContact NE-OE2 3.01Å; R251-F266 CarbonylContact C-O 3.21Å; R251-F266 WeakPolarHBondContact CA-O 3.13Å |
| 252 | F | 96.5 | Very high | 86 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.6 | 168.2 | 179.2 | -112.1 | 0 | 0 | 0 | 108.7 | L225 L245 S246 V254 E265 F266 F268 F277 W278 | L225-F252 HydrophobicContact CD1-CE1 3.82Å; L225-F252 HydrophobicContact CD1-CZ 3.84Å; L245-F252 HydrophobicContact CD1-CZ 4.41Å; L245-F252 HydrophobicContact CD2-CZ 3.92Å; S246-F252 WeakPolarHBondContact O-CD2 3.25Å; F252-V254 HydrophobicContact CD1-CG2 4.02Å; F252-V254 HydrophobicContact CE1-CG2 3.48Å; F252-V254 VanDerWaalsContact CE1-CG2 3.48Å; F252-V254 HydrophobicContact CZ-CG2 4.13Å; F252-E265 WeakPolarHBondContact O-CA 3.36Å; F252-F266 HydrophobicContact CD1-CD2 4.12Å; F252-F266 PolarHBondContact N-O 3.18Å; F252-F266 PolarHBondContact O-N 3.45Å; F252-F268 HydrophobicContact CB-CD2 4.14Å; F252-F268 HydrophobicContact CB-CE2 3.63Å; F252-F268 HydrophobicContact CG-CE2 4.26Å; F252-F277 HydrophobicContact CD1-CD1 4.2Å; F252-F277 HydrophobicContact CD1-CE1 4.12Å; F252-F277 HydrophobicContact CD2-CD1 4.26Å; F252-F277 AromaticContact CE1-CD1 3.99Å; F252-F277 HydrophobicContact CE1-CD1 3.99Å; F252-F277 AromaticContact CE1-CE1 3.63Å; F252-F277 HydrophobicContact CE1-CE1 3.63Å; F252-F277 HydrophobicContact CE2-CD1 4.04Å; F252-F277 HydrophobicContact CE2-CE1 4.38Å; F252-F277 HydrophobicContact CG-CD1 4.32Å; F252-F277 AromaticContact CZ-CD1 3.9Å; F252-F277 HydrophobicContact CZ-CD1 3.9Å; F252-F277 AromaticContact CZ-CE1 3.77Å; F252-F277 HydrophobicContact CZ-CE1 3.77Å; F252-W278 HydrophobicContact CD2-CB 4Å; F252-W278 HydrophobicContact CE2-CB 3.95Å; F252-W278 AromaticContact CE2-CD1 3.95Å; F252-W278 HydrophobicContact CE2-CG 4.37Å |
| 253 | L | 94.6 | Very high | 85.8 | Confident | 22 Ų | 22 | 73.8 Ų | 73.8 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 108.9 | -165.6 | -64.8 | 171.7 | 0 | 0 | 0 | 110.5 | S246 K248 T263 I264 E265 | S246-L253 PolarHBondContact N-O 3.09Å; S246-L253 PolarHBondContact O-N 3.2Å; S246-L253 PolarHBondContact OG-O 2.86Å; K248-L253 HydrophobicContact CB-CD1 4.31Å; L253-T263 HydrophobicContact CB-CG2 4.23Å; L253-T263 HydrophobicContact CD2-CG2 4.22Å; L253-I264 WeakPolarHBondContact CA-O 3.41Å; L253-E265 HydrophobicContact CD2-CB 3.8Å; L253-E265 HydrophobicContact CD2-CG 3.75Å; L253-E265 WeakPolarHBondContact CD2-OE2 3.44Å |
| 254 | V | 94.7 | Very high | 86 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.8 | 178.8 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | L225 I242 L245 F252 L256 I264 F266 | L225-V254 HydrophobicContact CD1-CG2 3.91Å; I242-V254 HydrophobicContact CD1-CG1 4.49Å; I242-V254 HydrophobicContact CG1-CG1 4.12Å; I242-V254 HydrophobicContact CG2-CG1 4.33Å; L245-V254 HydrophobicContact CD2-CB 4.22Å; L245-V254 HydrophobicContact CD2-CG1 3.98Å; L245-V254 HydrophobicContact CD2-CG2 3.86Å; F252-V254 HydrophobicContact CD1-CG2 4.02Å; F252-V254 HydrophobicContact CE1-CG2 3.48Å; F252-V254 VanDerWaalsContact CE1-CG2 3.48Å; F252-V254 HydrophobicContact CZ-CG2 4.13Å; V254-L256 HydrophobicContact CG1-CD2 3.99Å; V254-I264 HydrophobicContact CB-CB 4.39Å; V254-I264 PolarHBondContact N-O 3.01Å; V254-I264 PolarHBondContact O-N 3.31Å; V254-F266 HydrophobicContact CG2-CE2 4.46Å |
| 255 | K | 91.8 | Very high | 86.1 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 39% | 0.391 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.8 | 167.8 | -66.3 | -178.7 | 177.2 | -73.7 | 0 | 109.1 | R243 K244 T263 | R243-K255 WeakPolarHBondContact CA-O 3.22Å; R243-K255 WeakPolarHBondContact CB-O 3.48Å; R243-K255 PolarHBondContact N-O 3Å; K244-K255 HydrophobicContact CB-CB 4.15Å; K244-K255 PolarHBondContact N-O 2.87Å; K244-K255 PolarHBondContact O-N 3.44Å; K255-T263 HydrophobicContact CG-CG2 3.67Å; K255-T263 PolarHBondContact NZ-OG1 2.68Å |
| 256 | L | 91.3 | Very high | 86.2 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 172.6 | 174.4 | -57.6 | -178.3 | 0 | 0 | 0 | 111.3 | F237 K241 I242 R243 V254 I264 | F237-L256 HydrophobicContact CD1-CD1 4.37Å; F237-L256 HydrophobicContact CD1-CD2 4.14Å; K241-L256 HydrophobicContact CB-CD2 4.37Å; K241-L256 CarbonylContact O-C 3.46Å; K241-L256 VanDerWaalsContact O-CA 3.27Å; K241-L256 WeakPolarHBondContact O-CA 3.49Å; I242-L256 HydrophobicContact CG1-CD2 4.08Å; R243-L256 WeakPolarHBondContact CB-O 3.48Å; V254-L256 HydrophobicContact CG1-CD2 3.99Å; L256-I264 HydrophobicContact CD1-CD1 4.03Å; L256-I264 HydrophobicContact CG-CD1 4.46Å |
| 257 | H | 85.5 | Confident | 86.4 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -69 | 141.7 | 163.1 | -84.7 | -91.1 | 0 | 0 | 0 | 110.1 | K241 | K241-H257 PolarHBondContact O-N 3.19Š|
| 258 | P | 73 | Confident | 86.5 | Confident | 93 Ų | 93 | 72 Ų | 72 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 124.4 | -163.7 | 30.8 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 259 | E | 56.1 | Low | 86.5 | Confident | 158 Ų | 158 | 73.8 Ų | 73.8 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -141.2 | 47.3 | 158.7 | -152.6 | 161.2 | -126.4 | 0 | 0 | 108.9 | Y261 | E259-Y261 HydrophobicContact CB-CE2 4.36Š|
| 260 | N | 60.5 | Low | 86.4 | Confident | 171 Ų | 171 | 68 Ų | 68 | 91% | 0.914 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 84.2 | 4.9 | -174.4 | -50.2 | -29.5 | 0 | 0 | 0 | 118 | ||
| 261 | Y | 63.6 | Low | 86.3 | Confident | 137 Ų | 137 | 70.4 Ų | 70.4 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | trans | -75.5 | 138.5 | 179.3 | -63.4 | -71.4 | 0 | 0 | 0 | 115.2 | E259 | E259-Y261 HydrophobicContact CB-CE2 4.36Š| ||
| 262 | D | 74.1 | Confident | 86 | Confident | 143 Ų | 143 | 68.2 Ų | 68.2 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | trans | -74.9 | -179 | 173.5 | -117.4 | -43.1 | 0 | 0 | 0 | 113.3 | ||||
| 263 | T | 87.7 | Confident | 85.8 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 28% | 0.276 | 34% | 0.34 | S | S | . | . | trans | -87.1 | 113.4 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | L253 K255 E265 | L253-T263 HydrophobicContact CB-CG2 4.23Å; L253-T263 HydrophobicContact CD2-CG2 4.22Å; K255-T263 HydrophobicContact CG-CG2 3.67Å; K255-T263 PolarHBondContact NZ-OG1 2.68Å; T263-E265 PolarHBondContact O-N 3.21Å | ||
| 264 | I | 92.3 | Very high | 85.8 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 23% | 0.226 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.8 | -179.9 | -52.1 | 179 | 0 | 0 | 0 | 108.9 | F237 L253 V254 L256 F266 | F237-I264 HydrophobicContact CD1-CD1 4.22Å; F237-I264 HydrophobicContact CE1-CD1 3.31Å; F237-I264 HydrophobicContact CE2-CD1 4.5Å; F237-I264 HydrophobicContact CZ-CD1 3.49Å; F237-I264 VanDerWaalsContact CZ-CD1 3.49Å; F237-I264 HydrophobicContact CZ-CG2 4.25Å; L253-I264 WeakPolarHBondContact CA-O 3.41Å; V254-I264 HydrophobicContact CB-CB 4.39Å; V254-I264 PolarHBondContact N-O 3.01Å; V254-I264 PolarHBondContact O-N 3.31Å; L256-I264 HydrophobicContact CD1-CD1 4.03Å; L256-I264 HydrophobicContact CG-CD1 4.46Å; I264-F266 HydrophobicContact CG2-CD2 4.34Å; I264-F266 HydrophobicContact CG2-CE1 4.42Å; I264-F266 HydrophobicContact CG2-CE2 3.54Å; I264-F266 HydrophobicContact CG2-CZ 3.59Å |
| 265 | E | 93.9 | Very high | 85.7 | Confident | 55 Ų | 55 | 70.7 Ų | 70.7 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.1 | -174.1 | 179.5 | 170.8 | 129.8 | 0 | 0 | 111.3 | R251 F252 L253 T263 I267 | R251-E265 HydrophobicContact CB-CG 4.26Å; R251-E265 WeakPolarHBondContact CD-OE1 3.48Å; R251-E265 VanDerWaalsContact CD-OE2 3.27Å; R251-E265 WeakPolarHBondContact CD-OE2 3.2Å; R251-E265 HydrophobicContact CG-CG 4.45Å; R251-E265 IonicContact NE-OE2 3.01Å; F252-E265 WeakPolarHBondContact O-CA 3.36Å; L253-E265 HydrophobicContact CD2-CB 3.8Å; L253-E265 HydrophobicContact CD2-CG 3.75Å; L253-E265 WeakPolarHBondContact CD2-OE2 3.44Å; T263-E265 PolarHBondContact O-N 3.21Å; E265-I267 HydrophobicContact CG-CG1 4.5Å |
| 266 | F | 96 | Very high | 85.7 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 2% | 0.022 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.4 | 172.8 | -60.5 | -73.6 | 0 | 0 | 0 | 110.7 | A208 R209 L216 L218 V227 F237 R251 F252 V254 I264 | A208-F266 HydrophobicContact CB-CB 4.39Å; R209-F266 CarbonylContact O-C 3.52Å; R209-F266 WeakPolarHBondContact O-CA 3.48Å; L216-F266 HydrophobicContact CD1-CD1 4.32Å; L216-F266 HydrophobicContact CD1-CE1 3.96Å; L218-F266 HydrophobicContact CD1-CB 3.75Å; L218-F266 HydrophobicContact CD1-CD1 4.22Å; L218-F266 HydrophobicContact CD1-CD2 4.01Å; L218-F266 HydrophobicContact CD1-CG 3.73Å; L218-F266 HydrophobicContact CD2-CD1 4.07Å; L218-F266 HydrophobicContact CD2-CD2 4.38Å; L218-F266 HydrophobicContact CD2-CE1 4.02Å; L218-F266 HydrophobicContact CD2-CE2 4.32Å; L218-F266 HydrophobicContact CD2-CG 4.25Å; L218-F266 HydrophobicContact CD2-CZ 4.14Å; V227-F266 HydrophobicContact CG2-CZ 4.02Å; F237-F266 AromaticContact CE2-CE2 3.99Å; F237-F266 HydrophobicContact CE2-CE2 3.99Å; F237-F266 AromaticContact CE2-CZ 3.89Å; F237-F266 HydrophobicContact CE2-CZ 3.89Å; F237-F266 HydrophobicContact CZ-CZ 4.38Å; R251-F266 CarbonylContact C-O 3.21Å; R251-F266 WeakPolarHBondContact CA-O 3.13Å; F252-F266 HydrophobicContact CD1-CD2 4.12Å; F252-F266 PolarHBondContact N-O 3.18Å; F252-F266 PolarHBondContact O-N 3.45Å; V254-F266 HydrophobicContact CG2-CE2 4.46Å; I264-F266 HydrophobicContact CG2-CD2 4.34Å; I264-F266 HydrophobicContact CG2-CE1 4.42Å; I264-F266 HydrophobicContact CG2-CE2 3.54Å; I264-F266 HydrophobicContact CG2-CZ 3.59Å |
| 267 | I | 96.3 | Very high | 85.8 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.6 | -173.5 | -51.5 | 177.4 | 0 | 0 | 0 | 109.2 | A208 R209 E265 | A208-I267 CarbonylContact C-O 3.57Å; A208-I267 WeakPolarHBondContact CA-O 3.07Å; R209-I267 HydrophobicContact CB-CB 4.42Å; R209-I267 PolarHBondContact N-O 3.47Å; R209-I267 PolarHBondContact O-N 2.73Å; E265-I267 HydrophobicContact CG-CG1 4.5Å |
| 268 | F | 95.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | trans | -90.1 | 164.6 | 176.2 | -73.7 | -98.9 | 0 | 0 | 0 | 111.8 | H206 F207 A208 L218 K250 F252 E273 C274 F277 | H206-F268 HydrophobicContact CB-CE1 4.11Å; F207-F268 WeakPolarHBondContact O-CD1 3.47Å; A208-F268 HydrophobicContact CB-CE1 4.42Å; A208-F268 HydrophobicContact CB-CE2 4.4Å; A208-F268 HydrophobicContact CB-CZ 4.34Å; L218-F268 HydrophobicContact CD1-CE2 4.09Å; L218-F268 HydrophobicContact CD1-CZ 3.84Å; K250-F268 WeakPolarHBondContact CB-O 3.25Å; K250-F268 VanDerWaalsContact CD-O 3.27Å; K250-F268 WeakPolarHBondContact CD-O 3.4Å; K250-F268 PolarHBondContact O-N 3.35Å; F252-F268 HydrophobicContact CB-CD2 4.14Å; F252-F268 HydrophobicContact CB-CE2 3.63Å; F252-F268 HydrophobicContact CG-CE2 4.26Å; F268-E273 HydrophobicContact CD1-CG 3.75Å; F268-E273 HydrophobicContact CE1-CG 4.32Å; F268-C274 HydrophobicContact CB-CB 3.9Å; F268-C274 HydrophobicContact CD2-CB 3.85Å; F268-C274 HydrophobicContact CG-CB 3.92Å; F268-F277 HydrophobicContact CE1-CB 3.94Å; F268-F277 HydrophobicContact CE1-CD2 4.2Å; F268-F277 HydrophobicContact CE1-CG 4.04Å; F268-F277 HydrophobicContact CE2-CB 4.47Å; F268-F277 HydrophobicContact CE2-CD1 4.37Å; F268-F277 HydrophobicContact CE2-CG 4.43Å; F268-F277 HydrophobicContact CZ-CB 3.67Å; F268-F277 AromaticContact CZ-CD1 3.75Å; F268-F277 HydrophobicContact CZ-CD1 3.75Å; F268-F277 AromaticContact CZ-CD2 3.93Å; F268-F277 HydrophobicContact CZ-CD2 3.93Å; F268-F277 HydrophobicContact CZ-CE1 4.4Å; F268-F277 AromaticContact CZ-CG 3.49Å; F268-F277 HydrophobicContact CZ-CG 3.49Å; F268-F277 VanDerWaalsContact CZ-CG 3.49Å | ||
| 269 | D | 91.9 | Very high | 87.2 | Confident | 74 Ų | 74 | 60 Ų | 60 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -81.3 | -27 | 177.1 | -76.5 | -13.6 | 0 | 0 | 0 | 112.2 | R209 K250 | R209-D269 IonicContact CZ-OD1 3.3Å; R209-D269 IonicContact NE-OD1 2.71Å; R209-D269 PolarHBondContact NE-OD1 2.73Å; R209-D269 VanDerWaalsContact NE-OD1 3.1Å; R209-D269 VanDerWaalsContact NH2-CG 3.29Å; R209-D269 IonicContact NH2-OD1 3.51Å; R209-D269 PolarHBondContact NH2-OD1 3.42Å; R209-D269 IonicContact NH2-OD2 2.73Å; R209-D269 PolarHBondContact NH2-OD2 3.04Å; K250-D269 WeakPolarHBondContact CD-O 3.35Å; K250-D269 VanDerWaalsContact CE-O 3.26Å; K250-D269 WeakPolarHBondContact CE-O 3.49Å; K250-D269 PolarHBondContact NZ-O 3.11Å |
| 270 | S | 90.3 | Very high | 89 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | trans | -116.7 | 152.1 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 114.3 | D272 E273 C274 | S270-D272 VanDerWaalsContact C-N 3.34Å; S270-D272 PolarHBondContact OG-N 2.79Å; S270-E273 PolarHBondContact N-OE2 2.99Å; S270-C274 WeakPolarHBondContact O-CB 3.23Å; S270-C274 PolarHBondContact O-N 3.08Å | ||
| 271 | R | 91.7 | Very high | 90.7 | Very high | 150 Ų | 150 | 45.6 Ų | 45.6 | 57% | 0.566 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.3 | -43.5 | 168.9 | 176.5 | -164 | -178 | -170.3 | 2.6 | 110.6 | R249 C274 K275 | R249-R271 WeakPolarHBondContact O-CG 3.41Å; R271-C274 WeakPolarHBondContact O-CB 3.5Å; R271-C274 PolarHBondContact O-N 3.47Å; R271-K275 WeakPolarHBondContact O-CB 3.39Å; R271-K275 PolarHBondContact O-N 2.76Å |
| 272 | D | 89.4 | Confident | 92.1 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -84.6 | -25.2 | -170.1 | -77.3 | -86.7 | 0 | 0 | 0 | 111.5 | S270 K275 Q276 | S270-D272 VanDerWaalsContact C-N 3.34Å; S270-D272 PolarHBondContact OG-N 2.79Å; D272-K275 WeakPolarHBondContact OD1-CD 3.34Å; D272-K275 IonicContact OD1-NZ 3.99Å; D272-K275 PolarHBondContact OD1-NZ 2.66Å; D272-Q276 WeakPolarHBondContact O-CB 3.47Å; D272-Q276 VanDerWaalsContact O-CG 3.23Å; D272-Q276 WeakPolarHBondContact O-CG 3.44Å; D272-Q276 PolarHBondContact O-N 3.29Å |
| 273 | E | 92.2 | Very high | 93 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -53.5 | 160.6 | -176.4 | -175.1 | -146.9 | 0 | 0 | 111.7 | L64 F268 S270 K275 Q276 F277 | L64-E273 HydrophobicContact CD1-CB 4Å; F268-E273 HydrophobicContact CD1-CG 3.75Å; F268-E273 HydrophobicContact CE1-CG 4.32Å; S270-E273 PolarHBondContact N-OE2 2.99Å; E273-K275 PolarHBondContact O-N 2.78Å; E273-Q276 CarbonylContact O-C 3.45Å; E273-Q276 WeakPolarHBondContact O-CA 3.42Å; E273-Q276 WeakPolarHBondContact O-CB 3.39Å; E273-Q276 PolarHBondContact O-N 3.14Å; E273-F277 PolarHBondContact O-N 2.8Å |
| 274 | C | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.4 | -42.4 | 176 | -174 | 0 | 0 | 0 | 0 | 112.6 | K250 F268 S270 R271 W278 | K250-C274 VanDerWaalsContact C-SG 3.54Å; K250-C274 PolarHBondContact O-SG 2.78Å; K250-C274 VanDerWaalsContact O-SG 3.4Å; F268-C274 HydrophobicContact CB-CB 3.9Å; F268-C274 HydrophobicContact CD2-CB 3.85Å; F268-C274 HydrophobicContact CG-CB 3.92Å; S270-C274 WeakPolarHBondContact O-CB 3.23Å; S270-C274 PolarHBondContact O-N 3.08Å; R271-C274 WeakPolarHBondContact O-CB 3.5Å; R271-C274 PolarHBondContact O-N 3.47Å; C274-W278 WeakPolarHBondContact O-CB 3.49Å; C274-W278 PolarHBondContact O-N 3.14Å |
| 275 | K | 92 | Very high | 93.4 | Very high | 63 Ų | 63 | 30 Ų | 30 | 27% | 0.274 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -70.8 | -34.3 | 177.2 | 174.5 | 179.3 | 146.6 | -151.3 | 0 | 113.1 | F247 R271 D272 E273 K279 | F247-K275 HydrophobicContact CD2-CB 4.21Å; F247-K275 HydrophobicContact CE1-CB 4.49Å; F247-K275 HydrophobicContact CE1-CG 4.26Å; F247-K275 HydrophobicContact CE2-CB 3.71Å; F247-K275 HydrophobicContact CE2-CD 4.22Å; F247-K275 HydrophobicContact CE2-CG 4.02Å; F247-K275 HydrophobicContact CZ-CB 3.88Å; F247-K275 HydrophobicContact CZ-CD 3.97Å; F247-K275 HydrophobicContact CZ-CG 3.67Å; R271-K275 WeakPolarHBondContact O-CB 3.39Å; R271-K275 PolarHBondContact O-N 2.76Å; D272-K275 WeakPolarHBondContact OD1-CD 3.34Å; D272-K275 IonicContact OD1-NZ 3.99Å; D272-K275 PolarHBondContact OD1-NZ 2.66Å; E273-K275 PolarHBondContact O-N 2.78Å; K275-K279 PolarHBondContact O-N 3.4Å |
| 276 | Q | 91.2 | Very high | 93.4 | Very high | 31 Ų | 31 | 28.3 Ų | 28.3 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.4 | -44.5 | 171.4 | -79.5 | 179.7 | 62.4 | 0 | 0 | 111.4 | C66 D272 E273 K279 K280 | C66-Q276 VanDerWaalsContact SG-CD 3.53Å; C66-Q276 PolarHBondContact SG-OE1 2.88Å; D272-Q276 WeakPolarHBondContact O-CB 3.47Å; D272-Q276 VanDerWaalsContact O-CG 3.23Å; D272-Q276 WeakPolarHBondContact O-CG 3.44Å; D272-Q276 PolarHBondContact O-N 3.29Å; E273-Q276 CarbonylContact O-C 3.45Å; E273-Q276 WeakPolarHBondContact O-CA 3.42Å; E273-Q276 WeakPolarHBondContact O-CB 3.39Å; E273-Q276 PolarHBondContact O-N 3.14Å; Q276-K279 WeakPolarHBondContact O-CB 3.45Å; Q276-K279 PolarHBondContact O-N 2.81Å; Q276-K280 WeakPolarHBondContact O-CG 3.3Å; Q276-K280 PolarHBondContact O-N 3.23Å |
| 277 | F | 94.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -50 | 174.9 | -170.4 | -90.2 | 0 | 0 | 0 | 110.5 | H206 L218 V220 L225 F252 F268 E273 K279 K280 S281 | H206-F277 HydrophobicContact CB-CD2 3.82Å; H206-F277 HydrophobicContact CB-CE2 4.08Å; H206-F277 AromaticContact CD2-CD2 3.79Å; H206-F277 AromaticContact CG-CD2 3.68Å; L218-F277 HydrophobicContact CB-CE1 4.38Å; L218-F277 HydrophobicContact CB-CE2 3.74Å; L218-F277 HydrophobicContact CB-CZ 3.55Å; L218-F277 HydrophobicContact CD1-CE1 4.33Å; L218-F277 HydrophobicContact CD1-CZ 4.3Å; V220-F277 HydrophobicContact CG2-CD2 4.32Å; V220-F277 HydrophobicContact CG2-CE1 4.15Å; V220-F277 HydrophobicContact CG2-CE2 3.69Å; V220-F277 HydrophobicContact CG2-CZ 3.57Å; L225-F277 HydrophobicContact CD2-CE1 4.17Å; L225-F277 HydrophobicContact CD2-CZ 4.28Å; F252-F277 HydrophobicContact CD1-CD1 4.2Å; F252-F277 HydrophobicContact CD1-CE1 4.12Å; F252-F277 HydrophobicContact CD2-CD1 4.26Å; F252-F277 AromaticContact CE1-CD1 3.99Å; F252-F277 HydrophobicContact CE1-CD1 3.99Å; F252-F277 AromaticContact CE1-CE1 3.63Å; F252-F277 HydrophobicContact CE1-CE1 3.63Å; F252-F277 HydrophobicContact CE2-CD1 4.04Å; F252-F277 HydrophobicContact CE2-CE1 4.38Å; F252-F277 HydrophobicContact CG-CD1 4.32Å; F252-F277 AromaticContact CZ-CD1 3.9Å; F252-F277 HydrophobicContact CZ-CD1 3.9Å; F252-F277 AromaticContact CZ-CE1 3.77Å; F252-F277 HydrophobicContact CZ-CE1 3.77Å; F268-F277 HydrophobicContact CE1-CB 3.94Å; F268-F277 HydrophobicContact CE1-CD2 4.2Å; F268-F277 HydrophobicContact CE1-CG 4.04Å; F268-F277 HydrophobicContact CE2-CB 4.47Å; F268-F277 HydrophobicContact CE2-CD1 4.37Å; F268-F277 HydrophobicContact CE2-CG 4.43Å; F268-F277 HydrophobicContact CZ-CB 3.67Å; F268-F277 AromaticContact CZ-CD1 3.75Å; F268-F277 HydrophobicContact CZ-CD1 3.75Å; F268-F277 AromaticContact CZ-CD2 3.93Å; F268-F277 HydrophobicContact CZ-CD2 3.93Å; F268-F277 HydrophobicContact CZ-CE1 4.4Å; F268-F277 AromaticContact CZ-CG 3.49Å; F268-F277 HydrophobicContact CZ-CG 3.49Å; F268-F277 VanDerWaalsContact CZ-CG 3.49Å; E273-F277 PolarHBondContact O-N 2.8Å; F277-K279 VanDerWaalsContact C-N 3.3Å; F277-K279 PolarHBondContact O-N 3.21Å; F277-K280 PolarHBondContact O-N 3.23Å; F277-S281 PolarHBondContact O-N 2.88Å; F277-S281 PolarHBondContact O-OG 2.91Å |
| 278 | W | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57 | -38.8 | 175 | 174.1 | 84.5 | 0 | 0 | 0 | 113.3 | L245 F247 F252 C274 I282 S308 F310 V1060 | L245-W278 PolarHBondContact O-NE1 3.34Å; L245-W278 VanDerWaalsContact O-NE1 3.1Å; F247-W278 HydrophobicContact CB-CB 4.32Å; F247-W278 HydrophobicContact CB-CG 4.34Å; F247-W278 HydrophobicContact CD1-CB 4.08Å; F247-W278 AromaticContact CD1-CD2 3.49Å; F247-W278 HydrophobicContact CD1-CD2 3.49Å; F247-W278 VanDerWaalsContact CD1-CD2 3.49Å; F247-W278 AromaticContact CD1-CE2 3.95Å; F247-W278 AromaticContact CD1-CE3 3.77Å; F247-W278 HydrophobicContact CD1-CE3 3.77Å; F247-W278 AromaticContact CD1-CG 3.63Å; F247-W278 HydrophobicContact CD1-CG 3.63Å; F247-W278 HydrophobicContact CD1-CZ3 4.43Å; F247-W278 AromaticContact CE1-CD2 3.83Å; F247-W278 HydrophobicContact CE1-CD2 3.83Å; F247-W278 AromaticContact CE1-CE3 3.6Å; F247-W278 HydrophobicContact CE1-CE3 3.6Å; F247-W278 HydrophobicContact CE1-CG 4.39Å; F247-W278 HydrophobicContact CE1-CH2 4.39Å; F247-W278 AromaticContact CE1-CZ3 3.91Å; F247-W278 HydrophobicContact CE1-CZ3 3.91Å; F247-W278 HydrophobicContact CG-CB 4.43Å; F247-W278 HydrophobicContact CG-CG 4.35Å; F252-W278 HydrophobicContact CD2-CB 4Å; F252-W278 HydrophobicContact CE2-CB 3.95Å; F252-W278 AromaticContact CE2-CD1 3.95Å; F252-W278 HydrophobicContact CE2-CG 4.37Å; C274-W278 WeakPolarHBondContact O-CB 3.49Å; C274-W278 PolarHBondContact O-N 3.14Å; W278-I282 HydrophobicContact CZ2-CG1 4.42Å; W278-I282 WeakPolarHBondContact O-CG1 3.36Å; W278-I282 PolarHBondContact O-N 2.81Å; W278-I282 VanDerWaalsContact O-N 3.16Å; W278-S308 VanDerWaalsContact CH2-O 3.31Å; W278-S308 WeakPolarHBondContact CH2-O 3.4Å; W278-S308 WeakPolarHBondContact CZ3-OG 3.35Å; W278-F310 HydrophobicContact CH2-CB 3.74Å; W278-F310 HydrophobicContact CZ3-CB 3.6Å; W278-F310 HydrophobicContact CZ3-CG 4.49Å; W278-V1060 HydrophobicContact CZ2-CG2 4.04Å |
| 279 | K | 92.9 | Very high | 92.7 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 16% | 0.161 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.5 | -57.2 | 169.7 | -93 | -175.4 | 157.1 | -131.4 | 0 | 111 | D69 K275 Q276 F277 S281 I282 E283 F310 | D69-K279 IonicContact OD1-NZ 2.65Å; D69-K279 PolarHBondContact OD1-NZ 2.64Å; D69-K279 IonicContact OD2-NZ 3.32Å; D69-K279 PolarHBondContact OD2-NZ 2.92Å; K275-K279 PolarHBondContact O-N 3.4Å; Q276-K279 WeakPolarHBondContact O-CB 3.45Å; Q276-K279 PolarHBondContact O-N 2.81Å; F277-K279 VanDerWaalsContact C-N 3.3Å; F277-K279 PolarHBondContact O-N 3.21Å; K279-S281 PolarHBondContact O-N 3.42Å; K279-I282 PolarHBondContact O-N 3.09Å; K279-E283 WeakPolarHBondContact O-CG 3.49Å; K279-E283 PolarHBondContact O-N 2.77Å; K279-F310 HydrophobicContact CB-CE1 4.5Å; K279-F310 HydrophobicContact CD-CD2 4.32Å; K279-F310 HydrophobicContact CD-CE2 4.37Å; K279-F310 HydrophobicContact CG-CD1 4Å; K279-F310 HydrophobicContact CG-CD2 4.1Å; K279-F310 HydrophobicContact CG-CE1 4.25Å; K279-F310 HydrophobicContact CG-CE2 4.33Å; K279-F310 HydrophobicContact CG-CG 3.92Å; K279-F310 HydrophobicContact CG-CZ 4.4Å |
| 280 | K | 94 | Very high | 92.2 | Very high | 25 Ų | 25 | 27.8 Ų | 27.8 | 11% | 0.109 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52.9 | -41.7 | -179 | -69.8 | 177.9 | -176 | -177.9 | 0 | 111.3 | R65 V220 Q276 F277 E283 H284 | R65-K280 PolarHBondContact O-NZ 2.93Å; R65-K280 VanDerWaalsContact O-NZ 3.08Å; V220-K280 HydrophobicContact CG2-CB 4.41Å; Q276-K280 WeakPolarHBondContact O-CG 3.3Å; Q276-K280 PolarHBondContact O-N 3.23Å; F277-K280 PolarHBondContact O-N 3.23Å; K280-E283 PolarHBondContact O-N 2.91Å; K280-H284 PolarHBondContact O-N 3.03Å; K280-H284 PolarHBondContact O-ND1 3.42Å |
| 281 | S | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.6 | -46.8 | 0 | 0 | 0 | 0 | 113.8 | L225 W239 L245 F277 K279 H285 | L225-S281 WeakPolarHBondContact CD2-OG 3.25Å; W239-S281 WeakPolarHBondContact CH2-O 3.48Å; L245-S281 VanDerWaalsContact CD1-CB 3.48Å; F277-S281 PolarHBondContact O-N 2.88Å; F277-S281 PolarHBondContact O-OG 2.91Å; K279-S281 PolarHBondContact O-N 3.42Å; S281-H285 VanDerWaalsContact O-CB 3.23Å; S281-H285 WeakPolarHBondContact O-CB 3.24Å; S281-H285 PolarHBondContact O-N 3.41Å |
| 282 | I | 93.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.4 | -35.2 | 177.3 | -66.7 | -63.8 | 0 | 0 | 0 | 111.5 | L245 W278 K279 T286 F310 V1060 | L245-I282 HydrophobicContact CB-CD1 4.09Å; L245-I282 HydrophobicContact CD1-CD1 4.3Å; W278-I282 HydrophobicContact CZ2-CG1 4.42Å; W278-I282 WeakPolarHBondContact O-CG1 3.36Å; W278-I282 PolarHBondContact O-N 2.81Å; W278-I282 VanDerWaalsContact O-N 3.16Å; K279-I282 PolarHBondContact O-N 3.09Å; I282-T286 WeakPolarHBondContact O-CB 3.25Å; I282-T286 PolarHBondContact O-N 3.31Å; I282-T286 PolarHBondContact O-OG1 3.17Å; I282-F310 HydrophobicContact CB-CD1 4.18Å; I282-F310 HydrophobicContact CB-CE1 4.38Å; I282-F310 HydrophobicContact CG2-CD1 3.88Å; I282-F310 HydrophobicContact CG2-CE1 4.11Å; I282-V1060 HydrophobicContact CD1-CB 3.8Å; I282-V1060 HydrophobicContact CD1-CG1 4.06Å; I282-V1060 HydrophobicContact CD1-CG2 4.41Å |
| 283 | E | 93.7 | Very high | 89.5 | Confident | 15 Ų | 15 | 26.2 Ų | 26.2 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -53.6 | 174.4 | -65.5 | 178.7 | 124.7 | 0 | 0 | 111 | K91 F92 K279 K280 H285 T286 F287 F310 Y312 | K91-E283 WeakPolarHBondContact CE-OE1 2.96Å; K91-E283 WeakPolarHBondContact CE-OE2 3.43Å; K91-E283 IonicContact NZ-OE1 3.31Å; K91-E283 PolarHBondContact NZ-OE1 3.48Å; K91-E283 IonicContact NZ-OE2 3.03Å; F92-E283 HydrophobicContact CE1-CB 4.12Å; F92-E283 HydrophobicContact CZ-CB 4.07Å; K279-E283 WeakPolarHBondContact O-CG 3.49Å; K279-E283 PolarHBondContact O-N 2.77Å; K280-E283 PolarHBondContact O-N 2.91Å; E283-H285 PolarHBondContact O-N 2.72Å; E283-T286 PolarHBondContact O-N 3.34Å; E283-F287 WeakPolarHBondContact O-CB 3.3Å; E283-F287 PolarHBondContact O-N 3.35Å; E283-F310 HydrophobicContact CG-CE1 3.56Å; E283-F310 HydrophobicContact CG-CZ 3.62Å; E283-Y312 HydrophobicContact CB-CD2 4.34Å; E283-Y312 HydrophobicContact CG-CD2 4.27Å |
| 284 | H | 95 | Very high | 88.1 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 179.3 | -75.4 | 63.7 | 0 | 0 | 0 | 112.3 | K91 F92 V220 W239 K280 T286 F287 F288 | K91-H284 PolarHBondContact O-NE2 3.23Å; F92-H284 AromaticContact CD1-CE1 3.85Å; F92-H284 AromaticContact CD1-ND1 3.97Å; F92-H284 AromaticContact CD1-NE2 3.91Å; F92-H284 AromaticContact CE1-CE1 3.9Å; F92-H284 AromaticContact CE1-ND1 3.68Å; V220-H284 HydrophobicContact CG1-CB 3.53Å; V220-H284 VanDerWaalsContact CG1-CG 3.4Å; W239-H284 HydrophobicContact CH2-CB 4.29Å; W239-H284 HydrophobicContact CZ2-CB 3.66Å; K280-H284 PolarHBondContact O-N 3.03Å; K280-H284 PolarHBondContact O-ND1 3.42Å; H284-T286 VanDerWaalsContact C-N 3.32Å; H284-T286 PolarHBondContact O-N 3.43Å; H284-F287 PolarHBondContact O-N 3.22Å; H284-F288 HydrophobicContact CB-CD2 4.42Å; H284-F288 AromaticContact CD2-CE2 3.96Å; H284-F288 WeakPolarHBondContact O-CD2 3.3Å; H284-F288 PolarHBondContact O-N 2.72Å; H284-F288 VanDerWaalsContact O-N 3.08Å |
| 285 | H | 93.2 | Very high | 86.7 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 175 | 172.7 | -93.6 | 0 | 0 | 0 | 111.8 | W239 S281 E283 R289 I1062 | W239-H285 HydrophobicContact CD2-CB 4.17Å; W239-H285 HydrophobicContact CE3-CB 3.73Å; W239-H285 AromaticContact CE3-CD2 3.91Å; W239-H285 HydrophobicContact CH2-CB 4.31Å; W239-H285 HydrophobicContact CZ3-CB 3.82Å; S281-H285 VanDerWaalsContact O-CB 3.23Å; S281-H285 WeakPolarHBondContact O-CB 3.24Å; S281-H285 PolarHBondContact O-N 3.41Å; E283-H285 PolarHBondContact O-N 2.72Å; H285-R289 PolarHBondContact NE2-NH1 3.31Å; H285-R289 VanDerWaalsContact O-CB 3.3Å; H285-R289 WeakPolarHBondContact O-CB 3.29Å; H285-R289 PolarHBondContact O-N 3.09Å; H285-I1062 HydrophobicContact CB-CD1 4.25Å; H285-I1062 VanDerWaalsContact NE2-CG2 3.32Å; H285-I1062 WeakPolarHBondContact NE2-CG2 3.27Å |
| 286 | T | 92.7 | Very high | 84.8 | Confident | 19 Ų | 19 | 42 Ų | 42 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.5 | -44.7 | -179.6 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | I282 E283 H284 C290 P293 Y312 | I282-T286 WeakPolarHBondContact O-CB 3.25Å; I282-T286 PolarHBondContact O-N 3.31Å; I282-T286 PolarHBondContact O-OG1 3.17Å; E283-T286 PolarHBondContact O-N 3.34Å; H284-T286 VanDerWaalsContact C-N 3.32Å; H284-T286 PolarHBondContact O-N 3.43Å; T286-C290 HydrophobicContact CG2-CB 4.12Å; T286-C290 WeakPolarHBondContact O-CB 3.37Å; T286-C290 PolarHBondContact O-N 3.04Å; T286-C290 VanDerWaalsContact O-N 3.15Å; T286-P293 HydrophobicContact CG2-CB 4.26Å; T286-Y312 HydrophobicContact CG2-CD1 3.73Å; T286-Y312 HydrophobicContact CG2-CG 4.28Å |
| 287 | F | 93.6 | Very high | 83 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -51.8 | -176 | -175.1 | -99.2 | 0 | 0 | 0 | 113.1 | D52 Y53 F92 E283 H284 Y312 R315 E317 L320 | D52-F287 HydrophobicContact CB-CE2 4.1Å; Y53-F287 AromaticContact CD1-CE1 3.96Å; Y53-F287 HydrophobicContact CD1-CE1 3.96Å; Y53-F287 AromaticContact CD1-CZ 3.64Å; Y53-F287 HydrophobicContact CD1-CZ 3.64Å; Y53-F287 AromaticContact CE1-CE1 3.92Å; Y53-F287 HydrophobicContact CE1-CE1 3.92Å; Y53-F287 AromaticContact CE1-CZ 3.68Å; Y53-F287 HydrophobicContact CE1-CZ 3.68Å; F92-F287 HydrophobicContact CB-CD1 3.75Å; F92-F287 HydrophobicContact CB-CE1 3.64Å; F92-F287 HydrophobicContact CB-CG 4.41Å; F92-F287 HydrophobicContact CB-CZ 4.22Å; F92-F287 HydrophobicContact CD1-CB 4.21Å; F92-F287 HydrophobicContact CD1-CD1 4.12Å; F92-F287 HydrophobicContact CD1-CG 4.16Å; F92-F287 HydrophobicContact CD2-CB 4.21Å; F92-F287 AromaticContact CD2-CD1 3.75Å; F92-F287 HydrophobicContact CD2-CD1 3.75Å; F92-F287 AromaticContact CD2-CD2 3.52Å; F92-F287 HydrophobicContact CD2-CD2 3.52Å; F92-F287 AromaticContact CD2-CE1 3.94Å; F92-F287 HydrophobicContact CD2-CE1 3.94Å; F92-F287 AromaticContact CD2-CE2 3.73Å; F92-F287 HydrophobicContact CD2-CE2 3.73Å; F92-F287 AromaticContact CD2-CG 3.53Å; F92-F287 HydrophobicContact CD2-CG 3.53Å; F92-F287 AromaticContact CD2-CZ 3.93Å; F92-F287 HydrophobicContact CD2-CZ 3.93Å; F92-F287 HydrophobicContact CE1-CB 3.94Å; F92-F287 HydrophobicContact CE1-CG 4.27Å; F92-F287 HydrophobicContact CE2-CB 3.97Å; F92-F287 HydrophobicContact CE2-CD1 4.35Å; F92-F287 AromaticContact CE2-CD2 3.55Å; F92-F287 HydrophobicContact CE2-CD2 3.55Å; F92-F287 HydrophobicContact CE2-CE2 4.11Å; F92-F287 AromaticContact CE2-CG 3.69Å; F92-F287 HydrophobicContact CE2-CG 3.69Å; F92-F287 HydrophobicContact CG-CB 4.34Å; F92-F287 AromaticContact CG-CD1 3.61Å; F92-F287 HydrophobicContact CG-CD1 3.61Å; F92-F287 HydrophobicContact CG-CD2 4.25Å; F92-F287 AromaticContact CG-CE1 3.93Å; F92-F287 HydrophobicContact CG-CE1 3.93Å; F92-F287 AromaticContact CG-CG 3.79Å; F92-F287 HydrophobicContact CG-CG 3.79Å; F92-F287 HydrophobicContact CG-CZ 4.37Å; F92-F287 HydrophobicContact CZ-CB 3.81Å; F92-F287 HydrophobicContact CZ-CD2 4.27Å; F92-F287 HydrophobicContact CZ-CG 4.05Å; E283-F287 WeakPolarHBondContact O-CB 3.3Å; E283-F287 PolarHBondContact O-N 3.35Å; H284-F287 PolarHBondContact O-N 3.22Å; F287-Y312 HydrophobicContact CD2-CE1 4.41Å; F287-Y312 WeakPolarHBondContact CD2-OH 3.21Å; F287-R315 VanDerWaalsContact CD2-O 3.3Å; F287-R315 WeakPolarHBondContact CD2-O 3.4Å; F287-R315 WeakPolarHBondContact CE2-O 3.25Å; F287-E317 HydrophobicContact CD1-CB 4.23Å; F287-E317 HydrophobicContact CE1-CB 3.79Å; F287-E317 HydrophobicContact CE1-CG 4.06Å; F287-E317 HydrophobicContact CZ-CB 4Å; F287-E317 HydrophobicContact CZ-CG 4.29Å; F287-E317 PolarHBondContact O-N 3.4Å; F287-L320 HydrophobicContact CZ-CD2 4.43Å |
| 288 | F | 92.4 | Very high | 81 | Confident | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -88.2 | -7.9 | -173.2 | -69 | -68.8 | 0 | 0 | 0 | 114.8 | F92 H222 H284 E317 | F92-F288 HydrophobicContact CB-CE2 4.06Å; F92-F288 HydrophobicContact CB-CZ 3.78Å; F92-F288 HydrophobicContact CD1-CE2 4.07Å; F92-F288 HydrophobicContact CG-CE2 4.41Å; H222-F288 HydrophobicContact CB-CD1 3.89Å; H222-F288 HydrophobicContact CB-CD2 3.99Å; H222-F288 HydrophobicContact CB-CE1 3.72Å; H222-F288 HydrophobicContact CB-CE2 3.81Å; H222-F288 HydrophobicContact CB-CG 4.02Å; H222-F288 HydrophobicContact CB-CZ 3.67Å; H284-F288 HydrophobicContact CB-CD2 4.42Å; H284-F288 AromaticContact CD2-CE2 3.96Å; H284-F288 WeakPolarHBondContact O-CD2 3.3Å; H284-F288 PolarHBondContact O-N 2.72Å; H284-F288 VanDerWaalsContact O-N 3.08Å; F288-E317 WeakPolarHBondContact CD1-OE2 3.17Å |
| 289 | R | 87.4 | Confident | 78.9 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -135.8 | -20.5 | -171 | -170.3 | 169.4 | 175.7 | -114.2 | -11.6 | 116.7 | W239 H285 S1064 | W239-R289 VanDerWaalsContact O-CZ 3.26Å; W239-R289 PolarHBondContact O-NH1 3.08Å; H285-R289 PolarHBondContact NE2-NH1 3.31Å; H285-R289 VanDerWaalsContact O-CB 3.3Å; H285-R289 WeakPolarHBondContact O-CB 3.29Å; H285-R289 PolarHBondContact O-N 3.09Å; R289-S1064 VanDerWaalsContact NH2-CB 3.27Å; R289-S1064 PolarHBondContact NH2-OG 3.02Å |
| 290 | C | 81.8 | Confident | 76.7 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | trans | -85.7 | 135 | 169.8 | -73.8 | 0 | 0 | 0 | 0 | 109.5 | T286 T316 | T286-C290 HydrophobicContact CG2-CB 4.12Å; T286-C290 WeakPolarHBondContact O-CB 3.37Å; T286-C290 PolarHBondContact O-N 3.04Å; T286-C290 VanDerWaalsContact O-N 3.15Å; C290-T316 HydrophobicContact CB-CG2 4.16Å; C290-T316 WeakPolarHBondContact O-CB 3.47Å; C290-T316 WeakPolarHBondContact O-CG2 3.33Å | ||
| 291 | T | 77.5 | Confident | 74.5 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -72.5 | -55.7 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | T316 Q318 | T291-T316 PolarHBondContact O-OG1 2.75Å; T291-Q318 VanDerWaalsContact CG2-OE1 3.23Å |
| 292 | Y | 70.2 | Confident | 72.5 | Confident | 119 Ų | 119 | 82.6 Ų | 82.6 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -129.7 | 128 | 170.3 | -50.8 | -78.2 | 0 | 0 | 0 | 109.6 | Q318 E319 E322 | Y292-Q318 PolarHBondContact OH-NE2 3.29Å; Y292-E319 HydrophobicContact CD1-CG 3.56Å; Y292-E319 HydrophobicContact CE1-CG 4Å; Y292-E322 PolarHBondContact OH-OE1 2.93Å |
| 293 | P | 66.7 | Low | 70.5 | Confident | 23 Ų | 23 | 89 Ų | 89 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | trans | -71.5 | 145.7 | 177.2 | 29.7 | -29.8 | 0 | 0 | 0 | 109.9 | T286 R295 T316 E319 | T286-P293 HydrophobicContact CG2-CB 4.26Å; P293-R295 VanDerWaalsContact C-N 3.26Å; P293-R295 HydrophobicContact CG-CG 4.26Å; P293-R295 WeakPolarHBondContact O-CG 3.35Å; P293-R295 PolarHBondContact O-N 2.97Å; P293-T316 HydrophobicContact CG-CG2 4.34Å; P293-E319 VanDerWaalsContact CD-CD 3.49Å; P293-E319 WeakPolarHBondContact CD-OE1 3.17Å; P293-E319 VanDerWaalsContact CD-OE2 3.3Å; P293-E319 WeakPolarHBondContact CD-OE2 3.21Å | ||
| 294 | D | 63.5 | Low | 68.6 | Low | 86 Ų | 86 | 95.3 Ų | 95.3 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | trans | -72.4 | 80.9 | 177.4 | -174.4 | -0.9 | 0 | 0 | 0 | 111.9 | K296 L297 | D294-K296 PolarHBondContact O-N 3.2Å; D294-K296 WeakPolarHBondContact OD1-CA 3.43Å; D294-K296 VanDerWaalsContact OD1-CB 3.25Å; D294-K296 WeakPolarHBondContact OD1-CB 3.46Å; D294-K296 PolarHBondContact OD1-N 3.31Å; D294-L297 HydrophobicContact CB-CD1 4.29Å; D294-L297 PolarHBondContact O-N 3.16Å; D294-L297 PolarHBondContact OD1-N 3.38Å; D294-L297 VanDerWaalsContact OD2-CD1 3.22Å; D294-L297 WeakPolarHBondContact OD2-CD1 3.47Å; D294-L297 VanDerWaalsContact OD2-CG 3.28Å; D294-L297 WeakPolarHBondContact OD2-CG 3.26Å | ||
| 295 | R | 65.4 | Low | 66.5 | Low | 129 Ų | 129 | 98.5 Ų | 98.5 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -63.9 | -15.8 | 174 | -58.7 | 175.8 | -169.7 | -121.7 | 2.5 | 112.2 | P293 Q298 E319 | P293-R295 VanDerWaalsContact C-N 3.26Å; P293-R295 HydrophobicContact CG-CG 4.26Å; P293-R295 WeakPolarHBondContact O-CG 3.35Å; P293-R295 PolarHBondContact O-N 2.97Å; R295-Q298 VanDerWaalsContact O-CB 3.31Å; R295-Q298 WeakPolarHBondContact O-CB 3.47Å; R295-Q298 WeakPolarHBondContact O-CG 3.27Å; R295-Q298 PolarHBondContact O-N 2.66Å; R295-E319 IonicContact CZ-OE1 3.17Å; R295-E319 IonicContact CZ-OE2 3.98Å; R295-E319 IonicContact NE-OE1 3.32Å; R295-E319 PolarHBondContact NE-OE1 2.96Å; R295-E319 IonicContact NH2-OE1 3.47Å; R295-E319 PolarHBondContact NH2-OE1 3.06Å; R295-E319 IonicContact NH2-OE2 2.69Å; R295-E319 PolarHBondContact NH2-OE2 3.1Å |
| 296 | K | 52.6 | Low | 64.8 | Low | 190 Ų | 190 | 103.5 Ų | 103.5 | 83% | 0.826 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -76.2 | -28.4 | -178.6 | -57.3 | 174.1 | -178.1 | 170.2 | 0 | 111.7 | D294 Q298 | D294-K296 PolarHBondContact O-N 3.2Å; D294-K296 WeakPolarHBondContact OD1-CA 3.43Å; D294-K296 VanDerWaalsContact OD1-CB 3.25Å; D294-K296 WeakPolarHBondContact OD1-CB 3.46Å; D294-K296 PolarHBondContact OD1-N 3.31Å; K296-Q298 PolarHBondContact O-N 2.88Å |
| 297 | L | 53.4 | Low | 63.1 | Low | 64 Ų | 64 | 103.9 Ų | 103.9 | 34% | 0.335 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -66.5 | -18.4 | 173.9 | -79.4 | 169.6 | 0 | 0 | 0 | 114.4 | D294 R299 R300 | D294-L297 HydrophobicContact CB-CD1 4.29Å; D294-L297 PolarHBondContact O-N 3.16Å; D294-L297 PolarHBondContact OD1-N 3.38Å; D294-L297 VanDerWaalsContact OD2-CD1 3.22Å; D294-L297 WeakPolarHBondContact OD2-CD1 3.47Å; D294-L297 VanDerWaalsContact OD2-CG 3.28Å; D294-L297 WeakPolarHBondContact OD2-CG 3.26Å; L297-R299 PolarHBondContact O-N 2.78Å; L297-R300 PolarHBondContact O-N 2.71Å |
| 298 | Q | 52.6 | Low | 61.7 | Low | 96 Ų | 96 | 106.1 Ų | 106.1 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -55.9 | -24.5 | -179 | -66.9 | -74.9 | 4 | 0 | 0 | 114.1 | R295 K296 | R295-Q298 VanDerWaalsContact O-CB 3.31Å; R295-Q298 WeakPolarHBondContact O-CB 3.47Å; R295-Q298 WeakPolarHBondContact O-CG 3.27Å; R295-Q298 PolarHBondContact O-N 2.66Å; K296-Q298 PolarHBondContact O-N 2.88Å |
| 299 | R | 48.8 | Very low | 60.6 | Low | 237 Ų | 237 | 108.5 Ų | 108.5 | 89% | 0.894 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -95.4 | -2.2 | -174.3 | -65.5 | -166.3 | -175.6 | -174.4 | 3.9 | 115.9 | L297 S301 | L297-R299 PolarHBondContact O-N 2.78Å; R299-S301 PolarHBondContact O-N 2.75Å |
| 300 | R | 48.2 | Very low | 60.2 | Low | 211 Ų | 211 | 106.5 Ų | 106.5 | 80% | 0.796 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -72.6 | 132.6 | 178.4 | -74.3 | -164.6 | 171.8 | -158.6 | -2.2 | 110.7 | L297 | L297-R300 PolarHBondContact O-N 2.71Š|
| 301 | S | 46.4 | Very low | 60.2 | Low | 94 Ų | 94 | 110.9 Ų | 110.9 | 66% | 0.657 | 55% | 0.549 | S | S | * | . | trans | -59.1 | 147 | -166.6 | -170.3 | 0 | 0 | 0 | 0 | 113.4 | R299 L303 | R299-S301 PolarHBondContact O-N 2.75Å; S301-L303 PolarHBondContact O-N 3.36Å | ||
| 302 | R | 55 | Low | 60.6 | Low | 246 Ų | 246 | 109.4 Ų | 109.4 | 93% | 0.928 | 54% | 0.537 | S | S | * | . | trans | -74.5 | 28.1 | -174.7 | -56.4 | -178.5 | -174.4 | 166.3 | 1 | 114.1 | ||||
| 303 | L | 51.3 | Low | 61.1 | Low | 138 Ų | 138 | 106.3 Ų | 106.3 | 72% | 0.723 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -88.1 | 113.9 | -177.5 | -64.5 | 171 | 0 | 0 | 0 | 109.7 | S301 | S301-L303 PolarHBondContact O-N 3.36Š|
| 304 | T | 52 | Low | 62.1 | Low | 147 Ų | 147 | 106 Ų | 106 | 90% | 0.902 | 53% | 0.53 | S | S | * | . | trans | 58.9 | 49.1 | 169.7 | 58.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 305 | S | 50.9 | Low | 63.3 | Low | 83 Ų | 83 | 104.5 Ų | 104.5 | 58% | 0.58 | 52% | 0.518 | S | S | * | . | trans | -89.5 | 98.4 | 153.8 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | G307 | S305-G307 PolarHBondContact O-N 3.45Å; S305-G307 PolarHBondContact OG-O 3.12Å | ||
| 306 | S | 57.5 | Low | 64.7 | Low | 113 Ų | 113 | 98.4 Ų | 98.4 | 79% | 0.79 | 50% | 0.495 | S | S | * | . | trans | -75 | 22.4 | 177.6 | -170.2 | 0 | 0 | 0 | 0 | 113.9 | S1056 | S306-S1056 PolarHBondContact O-OG 2.97Š| ||
| 307 | G | 58.1 | Low | 66.5 | Low | 28 Ų | 28 | 90.7 Ų | 90.7 | 29% | 0.289 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -147.9 | 151.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S305 S309 | S305-G307 PolarHBondContact O-N 3.45Å; S305-G307 PolarHBondContact OG-O 3.12Å; G307-S309 PolarHBondContact O-N 3.45Å |
| 308 | S | 63.2 | Low | 68.3 | Low | 47 Ų | 47 | 90.8 Ų | 90.8 | 33% | 0.329 | 46% | 0.461 | S | S | . | . | trans | -51.9 | 95 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | W278 F310 | W278-S308 VanDerWaalsContact CH2-O 3.31Å; W278-S308 WeakPolarHBondContact CH2-O 3.4Å; W278-S308 WeakPolarHBondContact CZ3-OG 3.35Å; S308-F310 PolarHBondContact O-N 2.99Å | ||
| 309 | S | 69.7 | Low | 70.1 | Confident | 87 Ų | 87 | 87.4 Ų | 87.4 | 61% | 0.608 | 45% | 0.445 | S | S | * | . | trans | -92.1 | 67 | 174.9 | 60.4 | 0 | 0 | 0 | 0 | 110.5 | G307 | G307-S309 PolarHBondContact O-N 3.45Š| ||
| 310 | F | 79.8 | Confident | 72.2 | Confident | 21 Ų | 21 | 76.1 Ų | 76.1 | 9% | 0.092 | 40% | 0.402 | C | S | . | . | trans | -73.9 | 143.9 | 173.3 | 180 | -103.5 | 0 | 0 | 0 | 110.9 | W278 K279 I282 E283 S308 | W278-F310 HydrophobicContact CH2-CB 3.74Å; W278-F310 HydrophobicContact CZ3-CB 3.6Å; W278-F310 HydrophobicContact CZ3-CG 4.49Å; K279-F310 HydrophobicContact CB-CE1 4.5Å; K279-F310 HydrophobicContact CD-CD2 4.32Å; K279-F310 HydrophobicContact CD-CE2 4.37Å; K279-F310 HydrophobicContact CG-CD1 4Å; K279-F310 HydrophobicContact CG-CD2 4.1Å; K279-F310 HydrophobicContact CG-CE1 4.25Å; K279-F310 HydrophobicContact CG-CE2 4.33Å; K279-F310 HydrophobicContact CG-CG 3.92Å; K279-F310 HydrophobicContact CG-CZ 4.4Å; I282-F310 HydrophobicContact CB-CD1 4.18Å; I282-F310 HydrophobicContact CB-CE1 4.38Å; I282-F310 HydrophobicContact CG2-CD1 3.88Å; I282-F310 HydrophobicContact CG2-CE1 4.11Å; E283-F310 HydrophobicContact CG-CE1 3.56Å; E283-F310 HydrophobicContact CG-CZ 3.62Å; S308-F310 PolarHBondContact O-N 2.99Å | ||
| 311 | R | 81.1 | Confident | 74.1 | Confident | 116 Ų | 116 | 68.7 Ų | 68.7 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | trans | -144.3 | 140.3 | 173.7 | -63.6 | -176.5 | 179.1 | -80.8 | -2.7 | 107.9 | ||||
| 312 | Y | 85.2 | Confident | 76.2 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | trans | -65.8 | 147.5 | 168.4 | 179.6 | -112.3 | 0 | 0 | 0 | 110.4 | F92 E283 T286 F287 G314 R315 | F92-Y312 AromaticContact CE2-CE2 3.95Å; F92-Y312 HydrophobicContact CE2-CE2 3.95Å; F92-Y312 AromaticContact CZ-CE2 3.87Å; F92-Y312 HydrophobicContact CZ-CE2 3.87Å; E283-Y312 HydrophobicContact CB-CD2 4.34Å; E283-Y312 HydrophobicContact CG-CD2 4.27Å; T286-Y312 HydrophobicContact CG2-CD1 3.73Å; T286-Y312 HydrophobicContact CG2-CG 4.28Å; F287-Y312 HydrophobicContact CD2-CE1 4.41Å; F287-Y312 WeakPolarHBondContact CD2-OH 3.21Å; Y312-G314 VanDerWaalsContact CE1-C 3.45Å; Y312-G314 VanDerWaalsContact CE1-O 3.25Å; Y312-G314 WeakPolarHBondContact CE1-O 3.31Å; Y312-R315 VanDerWaalsContact CE1-O 3.25Å; Y312-R315 WeakPolarHBondContact CE1-O 3.4Å; Y312-R315 PolarHBondContact OH-O 3.09Å | ||
| 313 | L | 82.7 | Confident | 77.9 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.288 | 32% | 0.323 | S | S | . | . | trans | -119.7 | -24.3 | -174.8 | -67.1 | -167.3 | 0 | 0 | 0 | 114.9 | N71 | N71-L313 WeakPolarHBondContact ND2-CD1 3.22Š| ||
| 314 | G | 85.7 | Confident | 79.7 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -71.2 | -175.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | D52 Y312 | D52-G314 WeakPolarHBondContact OD1-CA 3.36Å; Y312-G314 VanDerWaalsContact CE1-C 3.45Å; Y312-G314 VanDerWaalsContact CE1-O 3.25Å; Y312-G314 WeakPolarHBondContact CE1-O 3.31Å |
| 315 | R | 90.5 | Very high | 81.4 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | trans | -71.9 | 146.7 | 169.2 | -69 | 170.4 | -73 | -148.5 | 6.1 | 110 | D52 F287 Y312 E319 L320 Y323 | D52-R315 PolarHBondContact OD1-N 3.39Å; D52-R315 IonicContact OD1-NE 3.1Å; D52-R315 IonicContact OD2-CZ 2.62Å; D52-R315 IonicContact OD2-NE 2.72Å; D52-R315 PolarHBondContact OD2-NE 2.88Å; D52-R315 IonicContact OD2-NH2 3.33Å; D52-R315 PolarHBondContact OD2-NH2 2.93Å; F287-R315 VanDerWaalsContact CD2-O 3.3Å; F287-R315 WeakPolarHBondContact CD2-O 3.4Å; F287-R315 WeakPolarHBondContact CE2-O 3.25Å; Y312-R315 VanDerWaalsContact CE1-O 3.25Å; Y312-R315 WeakPolarHBondContact CE1-O 3.4Å; Y312-R315 PolarHBondContact OH-O 3.09Å; R315-E319 WeakPolarHBondContact CA-OE2 3.45Å; R315-E319 HydrophobicContact CB-CB 3.82Å; R315-E319 HydrophobicContact CG-CB 4.09Å; R315-L320 HydrophobicContact CB-CB 4.34Å; R315-Y323 VanDerWaalsContact NH1-CZ 3.26Å | ||
| 316 | T | 93.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -72.3 | 167.1 | 164.4 | 56.7 | 0 | 0 | 0 | 0 | 110 | C290 T291 P293 Q318 E319 L320 | C290-T316 HydrophobicContact CB-CG2 4.16Å; C290-T316 WeakPolarHBondContact O-CB 3.47Å; C290-T316 WeakPolarHBondContact O-CG2 3.33Å; T291-T316 PolarHBondContact O-OG1 2.75Å; P293-T316 HydrophobicContact CG-CG2 4.34Å; T316-Q318 PolarHBondContact O-N 3.08Å; T316-E319 PolarHBondContact N-OE2 3.24Å; T316-E319 PolarHBondContact O-N 2.75Å; T316-E319 WeakPolarHBondContact OG1-CB 3.35Å; T316-E319 WeakPolarHBondContact OG1-CG 3.36Å; T316-E319 PolarHBondContact OG1-N 2.76Å; T316-E319 VanDerWaalsContact OG1-N 3.11Å; T316-L320 VanDerWaalsContact O-CB 3.3Å; T316-L320 WeakPolarHBondContact O-CB 3.44Å; T316-L320 PolarHBondContact O-N 3.19Å | ||
| 317 | E | 92 | Very high | 84.5 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 13% | 0.131 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.9 | -38.5 | 177.6 | -164.1 | 172.8 | -138.1 | 0 | 0 | 111.1 | Y53 T94 F287 F288 L320 Q321 | Y53-E317 HydrophobicContact CE1-CG 4.44Å; T94-E317 PolarHBondContact OG1-OE1 2.92Å; T94-E317 VanDerWaalsContact OG1-OE1 3.12Å; F287-E317 HydrophobicContact CD1-CB 4.23Å; F287-E317 HydrophobicContact CE1-CB 3.79Å; F287-E317 HydrophobicContact CE1-CG 4.06Å; F287-E317 HydrophobicContact CZ-CB 4Å; F287-E317 HydrophobicContact CZ-CG 4.29Å; F287-E317 PolarHBondContact O-N 3.4Å; F288-E317 WeakPolarHBondContact CD1-OE2 3.17Å; E317-L320 PolarHBondContact O-N 3.2Å; E317-Q321 VanDerWaalsContact O-CG 3.29Å; E317-Q321 WeakPolarHBondContact O-CG 3.26Å; E317-Q321 PolarHBondContact O-N 2.96Å |
| 318 | Q | 89.9 | Confident | 85.4 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.7 | -49.1 | 173.2 | -170.9 | -171 | -28.3 | 0 | 0 | 112.8 | T291 Y292 T316 L320 Q321 E322 | T291-Q318 VanDerWaalsContact CG2-OE1 3.23Å; Y292-Q318 PolarHBondContact OH-NE2 3.29Å; T316-Q318 PolarHBondContact O-N 3.08Å; Q318-L320 PolarHBondContact O-N 2.83Å; Q318-Q321 PolarHBondContact O-N 3.29Å; Q318-E322 HydrophobicContact CG-CG 4.47Å; Q318-E322 PolarHBondContact NE2-OE1 3.13Å; Q318-E322 WeakPolarHBondContact O-CG 3.35Å; Q318-E322 PolarHBondContact O-N 3.41Å |
| 319 | E | 91.3 | Very high | 85.4 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -27.7 | 176.2 | -79.1 | -178.2 | 142.3 | 0 | 0 | 112.1 | Y292 P293 R295 R315 T316 Y323 | Y292-E319 HydrophobicContact CD1-CG 3.56Å; Y292-E319 HydrophobicContact CE1-CG 4Å; P293-E319 VanDerWaalsContact CD-CD 3.49Å; P293-E319 WeakPolarHBondContact CD-OE1 3.17Å; P293-E319 VanDerWaalsContact CD-OE2 3.3Å; P293-E319 WeakPolarHBondContact CD-OE2 3.21Å; R295-E319 IonicContact CZ-OE1 3.17Å; R295-E319 IonicContact CZ-OE2 3.98Å; R295-E319 IonicContact NE-OE1 3.32Å; R295-E319 PolarHBondContact NE-OE1 2.96Å; R295-E319 IonicContact NH2-OE1 3.47Å; R295-E319 PolarHBondContact NH2-OE1 3.06Å; R295-E319 IonicContact NH2-OE2 2.69Å; R295-E319 PolarHBondContact NH2-OE2 3.1Å; R315-E319 WeakPolarHBondContact CA-OE2 3.45Å; R315-E319 HydrophobicContact CB-CB 3.82Å; R315-E319 HydrophobicContact CG-CB 4.09Å; T316-E319 PolarHBondContact N-OE2 3.24Å; T316-E319 PolarHBondContact O-N 2.75Å; T316-E319 WeakPolarHBondContact OG1-CB 3.35Å; T316-E319 WeakPolarHBondContact OG1-CG 3.36Å; T316-E319 PolarHBondContact OG1-N 2.76Å; T316-E319 VanDerWaalsContact OG1-N 3.11Å; E319-Y323 WeakPolarHBondContact O-CB 3.47Å; E319-Y323 PolarHBondContact O-N 3.27Å; E319-Y323 VanDerWaalsContact O-N 3.13Å |
| 320 | L | 92.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73 | -52.8 | 175 | -175.2 | 61.9 | 0 | 0 | 0 | 111.1 | D52 Y53 F287 R315 T316 E317 Q318 E322 Y323 V324 | D52-L320 HydrophobicContact CB-CD2 4.31Å; Y53-L320 HydrophobicContact CD2-CD2 3.77Å; Y53-L320 HydrophobicContact CE1-CD2 4.26Å; Y53-L320 HydrophobicContact CE2-CD2 3.48Å; Y53-L320 VanDerWaalsContact CE2-CD2 3.48Å; Y53-L320 HydrophobicContact CG-CD2 4.27Å; F287-L320 HydrophobicContact CZ-CD2 4.43Å; R315-L320 HydrophobicContact CB-CB 4.34Å; T316-L320 VanDerWaalsContact O-CB 3.3Å; T316-L320 WeakPolarHBondContact O-CB 3.44Å; T316-L320 PolarHBondContact O-N 3.19Å; E317-L320 PolarHBondContact O-N 3.2Å; Q318-L320 PolarHBondContact O-N 2.83Å; L320-E322 VanDerWaalsContact C-N 3.34Å; L320-E322 PolarHBondContact O-N 3.2Å; L320-Y323 CarbonylContact O-C 3.43Å; L320-Y323 WeakPolarHBondContact O-CA 3.44Å; L320-Y323 WeakPolarHBondContact O-CB 3.46Å; L320-Y323 PolarHBondContact O-N 2.9Å; L320-V324 HydrophobicContact CD1-CG2 4.35Å; L320-V324 HydrophobicContact CG-CG2 4.35Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.36Å; L320-V324 PolarHBondContact O-N 3.36Å |
| 321 | Q | 89.6 | Confident | 84.8 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.2 | -49.1 | 175.9 | -71.8 | 164.1 | 8.7 | 0 | 0 | 111.6 | E317 Q318 Y323 V324 Q325 | E317-Q321 VanDerWaalsContact O-CG 3.29Å; E317-Q321 WeakPolarHBondContact O-CG 3.26Å; E317-Q321 PolarHBondContact O-N 2.96Å; Q318-Q321 PolarHBondContact O-N 3.29Å; Q321-Y323 PolarHBondContact O-N 3.39Å; Q321-V324 PolarHBondContact O-N 3.49Å; Q321-Q325 VanDerWaalsContact O-CG 3.3Å; Q321-Q325 WeakPolarHBondContact O-CG 3.16Å; Q321-Q325 PolarHBondContact O-N 3.35Å |
| 322 | E | 89.8 | Confident | 84.5 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -25.8 | 176.2 | -63.1 | 179.4 | -159.4 | 0 | 0 | 112.9 | Y292 Q318 L320 R326 | Y292-E322 PolarHBondContact OH-OE1 2.93Å; Q318-E322 HydrophobicContact CG-CG 4.47Å; Q318-E322 PolarHBondContact NE2-OE1 3.13Å; Q318-E322 WeakPolarHBondContact O-CG 3.35Å; Q318-E322 PolarHBondContact O-N 3.41Å; L320-E322 VanDerWaalsContact C-N 3.34Å; L320-E322 PolarHBondContact O-N 3.2Å; E322-R326 VanDerWaalsContact C-NH1 3.3Å; E322-R326 VanDerWaalsContact O-CD 3.25Å; E322-R326 WeakPolarHBondContact O-CD 3.41Å; E322-R326 WeakPolarHBondContact O-CG 3.41Å; E322-R326 VanDerWaalsContact O-CZ 3.3Å; E322-R326 PolarHBondContact O-NE 2.72Å; E322-R326 PolarHBondContact O-NH1 2.89Å; E322-R326 IonicContact OE2-CZ 2.82Å; E322-R326 IonicContact OE2-NH1 3.32Å; E322-R326 PolarHBondContact OE2-NH1 2.98Å; E322-R326 IonicContact OE2-NH2 2.97Å; E322-R326 PolarHBondContact OE2-NH2 2.78Å |
| 323 | Y | 89.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 30% | 0.302 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -76.6 | -42.8 | 174.2 | 172.6 | -95.1 | 0 | 0 | 0 | 111.2 | L49 R315 E319 L320 Q321 R326 N327 | L49-Y323 HydrophobicContact CD1-CD1 4.05Å; L49-Y323 HydrophobicContact CD1-CE1 3.46Å; L49-Y323 VanDerWaalsContact CD1-CE1 3.46Å; L49-Y323 HydrophobicContact CG-CE1 4.5Å; R315-Y323 VanDerWaalsContact NH1-CZ 3.26Å; E319-Y323 WeakPolarHBondContact O-CB 3.47Å; E319-Y323 PolarHBondContact O-N 3.27Å; E319-Y323 VanDerWaalsContact O-N 3.13Å; L320-Y323 CarbonylContact O-C 3.43Å; L320-Y323 WeakPolarHBondContact O-CA 3.44Å; L320-Y323 WeakPolarHBondContact O-CB 3.46Å; L320-Y323 PolarHBondContact O-N 2.9Å; Q321-Y323 PolarHBondContact O-N 3.39Å; Y323-R326 PolarHBondContact O-N 3.38Å; Y323-N327 WeakPolarHBondContact CD2-ND2 3.42Å; Y323-N327 HydrophobicContact CE1-CB 4.5Å; Y323-N327 VanDerWaalsContact CE2-ND2 3.31Å; Y323-N327 WeakPolarHBondContact CE2-ND2 3.43Å; Y323-N327 WeakPolarHBondContact O-CB 3.44Å; Y323-N327 PolarHBondContact O-N 2.98Å; Y323-N327 PolarHBondContact O-ND2 2.97Å |
| 324 | V | 89.6 | Confident | 84.1 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.4 | -52.7 | 177 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | L49 E50 E101 L320 Q321 R326 N327 C328 | L49-V324 HydrophobicContact CD2-CB 4.24Å; L49-V324 HydrophobicContact CD2-CG1 3.82Å; L49-V324 HydrophobicContact CD2-CG2 4.21Å; L49-V324 HydrophobicContact CG-CG2 4.09Å; E50-V324 HydrophobicContact CG-CG2 3.73Å; E101-V324 HydrophobicContact CB-CG1 3.7Å; E101-V324 HydrophobicContact CG-CG1 3.63Å; L320-V324 HydrophobicContact CD1-CG2 4.35Å; L320-V324 HydrophobicContact CG-CG2 4.35Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.36Å; L320-V324 PolarHBondContact O-N 3.36Å; Q321-V324 PolarHBondContact O-N 3.49Å; V324-R326 PolarHBondContact O-N 2.98Å; V324-R326 VanDerWaalsContact O-N 3.14Å; V324-N327 CarbonylContact O-C 3.55Å; V324-N327 PolarHBondContact O-N 2.93Å; V324-C328 WeakPolarHBondContact O-CB 3.38Å; V324-C328 PolarHBondContact O-N 3.15Å |
| 325 | Q | 87.4 | Confident | 83.9 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -54.1 | -36 | 177.2 | -70.7 | 167.3 | 2.7 | 0 | 0 | 112.9 | Q321 | Q321-Q325 VanDerWaalsContact O-CG 3.3Å; Q321-Q325 WeakPolarHBondContact O-CG 3.16Å; Q321-Q325 PolarHBondContact O-N 3.35Å |
| 326 | R | 87 | Confident | 83.6 | Confident | 165 Ų | 165 | 78 Ų | 78 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10 | 178 | -66.3 | 172.4 | -164.7 | 122.5 | -5.6 | 114.6 | E322 Y323 V324 | E322-R326 VanDerWaalsContact C-NH1 3.3Å; E322-R326 VanDerWaalsContact O-CD 3.25Å; E322-R326 WeakPolarHBondContact O-CD 3.41Å; E322-R326 WeakPolarHBondContact O-CG 3.41Å; E322-R326 VanDerWaalsContact O-CZ 3.3Å; E322-R326 PolarHBondContact O-NE 2.72Å; E322-R326 PolarHBondContact O-NH1 2.89Å; E322-R326 IonicContact OE2-CZ 2.82Å; E322-R326 IonicContact OE2-NH1 3.32Å; E322-R326 PolarHBondContact OE2-NH1 2.98Å; E322-R326 IonicContact OE2-NH2 2.97Å; E322-R326 PolarHBondContact OE2-NH2 2.78Å; Y323-R326 PolarHBondContact O-N 3.38Å; V324-R326 PolarHBondContact O-N 2.98Å; V324-R326 VanDerWaalsContact O-N 3.14Å |
| 327 | N | 85.8 | Confident | 82.8 | Confident | 63 Ų | 63 | 82 Ų | 82 | 34% | 0.337 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 2.6 | -170.6 | -68.3 | -91.2 | 0 | 0 | 0 | 114.5 | L49 Y323 V324 | L49-N327 HydrophobicContact CD1-CB 3.73Å; Y323-N327 WeakPolarHBondContact CD2-ND2 3.42Å; Y323-N327 HydrophobicContact CE1-CB 4.5Å; Y323-N327 VanDerWaalsContact CE2-ND2 3.31Å; Y323-N327 WeakPolarHBondContact CE2-ND2 3.43Å; Y323-N327 WeakPolarHBondContact O-CB 3.44Å; Y323-N327 PolarHBondContact O-N 2.98Å; Y323-N327 PolarHBondContact O-ND2 2.97Å; V324-N327 CarbonylContact O-C 3.55Å; V324-N327 PolarHBondContact O-N 2.93Å |
| 328 | C | 77.2 | Confident | 81.4 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | trans | -70.9 | -41.3 | -177.4 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | V324 K330 R331 | V324-C328 WeakPolarHBondContact O-CB 3.38Å; V324-C328 PolarHBondContact O-N 3.15Å; C328-K330 PolarHBondContact O-N 3.23Å; C328-R331 PolarHBondContact O-N 2.7Å | ||
| 329 | E | 63.9 | Low | 79.8 | Confident | 177 Ų | 177 | 81.9 Ų | 81.9 | 83% | 0.827 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 5.5 | -167.7 | -54.2 | -178 | 141.7 | 0 | 0 | 117.8 | ||
| 330 | K | 63.6 | Low | 77.5 | Confident | 186 Ų | 186 | 82.3 Ų | 82.3 | 81% | 0.809 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.8 | 10.7 | -167.3 | -63 | 179.5 | -175.3 | 163.6 | 0 | 115.3 | C328 | C328-K330 PolarHBondContact O-N 3.23Š|
| 331 | R | 72.7 | Confident | 75.1 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 36% | 0.362 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 146.4 | 175.9 | -80.5 | -176.3 | 167.4 | 65.8 | -2.2 | 112.5 | R47 E102 C328 | R47-R331 PolarHBondContact O-NE 3.32Å; R47-R331 PolarHBondContact O-NH2 2.97Å; E102-R331 WeakPolarHBondContact OE1-CD 3.35Å; E102-R331 IonicContact OE1-NE 2.89Å; E102-R331 PolarHBondContact OE1-NE 3.4Å; C328-R331 PolarHBondContact O-N 2.7Å |
| 332 | P | 74.4 | Confident | 72.8 | Confident | 111 Ų | 111 | 93.8 Ų | 93.8 | 72% | 0.721 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 155 | 165.8 | 31.9 | -35 | 0 | 0 | 0 | 110.3 | ||
| 333 | P | 76.9 | Confident | 70.6 | Confident | 129 Ų | 129 | 96.5 Ų | 96.5 | 84% | 0.838 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 144.5 | 171.2 | 28.7 | -34.8 | 0 | 0 | 0 | 110.8 | ||
| 334 | F | 83.2 | Confident | 68.2 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 33% | 0.325 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 126.2 | 177.3 | 166.8 | -117.1 | 0 | 0 | 0 | 111.3 | A103 Y104 Y107 R336 | A103-F334 HydrophobicContact CB-CD1 4.49Å; Y104-F334 HydrophobicContact CD2-CD1 4.45Å; Y104-F334 AromaticContact CD2-CD2 3.65Å; Y104-F334 HydrophobicContact CD2-CD2 3.65Å; Y104-F334 HydrophobicContact CD2-CE1 4.22Å; Y104-F334 AromaticContact CD2-CE2 3.39Å; Y104-F334 HydrophobicContact CD2-CE2 3.39Å; Y104-F334 HydrophobicContact CD2-CG 4.19Å; Y104-F334 AromaticContact CD2-CZ 3.7Å; Y104-F334 HydrophobicContact CD2-CZ 3.7Å; Y104-F334 HydrophobicContact CE2-CD2 4.46Å; Y104-F334 AromaticContact CE2-CE2 3.91Å; Y104-F334 HydrophobicContact CE2-CE2 3.91Å; Y104-F334 HydrophobicContact CE2-CZ 4.3Å; Y104-F334 HydrophobicContact CG-CD2 4.17Å; Y104-F334 HydrophobicContact CG-CE2 4.34Å; Y104-F334 HydrophobicContact CG-CG 4.46Å; Y107-F334 AromaticContact CD1-CE1 3.81Å; Y107-F334 HydrophobicContact CD1-CE1 3.81Å; Y107-F334 HydrophobicContact CD1-CE2 4.28Å; Y107-F334 AromaticContact CD1-CZ 3.33Å; Y107-F334 HydrophobicContact CD1-CZ 3.33Å; Y107-F334 AromaticContact CE1-CZ 3.77Å; Y107-F334 HydrophobicContact CE1-CZ 3.77Å; Y107-F334 AromaticContact CG-CE1 3.77Å; Y107-F334 HydrophobicContact CG-CE1 3.77Å; Y107-F334 AromaticContact CG-CZ 3.77Å; Y107-F334 HydrophobicContact CG-CZ 3.77Å; F334-R336 HydrophobicContact CE1-CB 4.21Å; F334-R336 HydrophobicContact CZ-CB 4.21Å |
| 335 | E | 81.7 | Confident | 65.8 | Low | 139 Ų | 139 | 103 Ų | 103 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -99.5 | 124.3 | 166.9 | -173.5 | -175.1 | 143.8 | 0 | 0 | 109.6 | R341 | E335-R341 IonicContact OE1-CZ 2.68Å; E335-R341 IonicContact OE1-NH2 3.81Å; E335-R341 PolarHBondContact OE1-NH2 3.19Å |
| 336 | R | 84 | Confident | 63.4 | Low | 29 Ų | 29 | 101.6 Ų | 101.6 | 11% | 0.109 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 130.2 | 178.7 | 173.3 | -176.3 | -79.6 | -128.5 | -3 | 111.8 | Y107 A139 D188 F334 S338 | Y107-R336 HydrophobicContact CE2-CG 4.13Å; A139-R336 VanDerWaalsContact O-CD 3.27Å; A139-R336 WeakPolarHBondContact O-CD 3.22Å; A139-R336 PolarHBondContact O-NH1 2.95Å; D188-R336 IonicContact OD1-CZ 2.68Å; D188-R336 IonicContact OD1-NH2 2.73Å; D188-R336 PolarHBondContact OD1-NH2 2.81Å; D188-R336 IonicContact OD2-CZ 3.94Å; D188-R336 IonicContact OD2-NH2 2.62Å; D188-R336 PolarHBondContact OD2-NH2 3.09Å; F334-R336 HydrophobicContact CE1-CB 4.21Å; F334-R336 HydrophobicContact CZ-CB 4.21Å; R336-S338 PolarHBondContact O-N 3.18Å; R336-S338 PolarHBondContact O-OG 3.37Å |
| 337 | P | 77.3 | Confident | 61.2 | Low | 84 Ų | 84 | 103 Ų | 103 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | trans | -57 | 102.5 | 164.2 | -23.1 | 34.5 | 0 | 0 | 0 | 111.1 | A339 | P337-A339 PolarHBondContact O-N 2.82Š| ||
| 338 | S | 61 | Low | 58.8 | Low | 45 Ų | 45 | 105.4 Ų | 105.4 | 32% | 0.315 | 56% | 0.563 | S | S | . | * | trans | -88.1 | 105.8 | -170 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | R336 A340 R341 | R336-S338 PolarHBondContact O-N 3.18Å; R336-S338 PolarHBondContact O-OG 3.37Å; S338-A340 PolarHBondContact O-N 2.62Å; S338-A340 VanDerWaalsContact O-N 3.15Å; S338-R341 PolarHBondContact O-N 3.03Å | ||
| 339 | A | 57.6 | Low | 56.8 | Low | 46 Ų | 46 | 109 Ų | 109 | 38% | 0.38 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.1 | -30.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P337 R341 H342 | P337-A339 PolarHBondContact O-N 2.82Å; A339-R341 PolarHBondContact O-N 2.95Å; A339-H342 PolarHBondContact O-N 3.48Å |
| 340 | A | 42.8 | Very low | 55.4 | Low | 33 Ų | 33 | 105.3 Ų | 105.3 | 27% | 0.273 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -53.7 | -21.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S338 H342 T343 S344 | S338-A340 PolarHBondContact O-N 2.62Å; S338-A340 VanDerWaalsContact O-N 3.15Å; A340-H342 VanDerWaalsContact C-N 3.26Å; A340-H342 PolarHBondContact O-N 2.95Å; A340-T343 PolarHBondContact O-OG1 2.83Å; A340-S344 PolarHBondContact O-OG 3.22Å |
| 341 | R | 41.2 | Very low | 54.1 | Low | 145 Ų | 145 | 103 Ų | 103 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.3 | -23.9 | 175.5 | -61 | -174.5 | -165.1 | 177.2 | 8.8 | 113 | E335 S338 A339 | E335-R341 IonicContact OE1-CZ 2.68Å; E335-R341 IonicContact OE1-NH2 3.81Å; E335-R341 PolarHBondContact OE1-NH2 3.19Å; S338-R341 PolarHBondContact O-N 3.03Å; A339-R341 PolarHBondContact O-N 2.95Å |
| 342 | H | 40.8 | Very low | 52.3 | Low | 152 Ų | 152 | 103.2 Ų | 103.2 | 70% | 0.704 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -97 | -26.4 | -174.4 | -67.9 | -86.4 | 0 | 0 | 0 | 114.2 | A339 A340 | A339-H342 PolarHBondContact O-N 3.48Å; A340-H342 VanDerWaalsContact C-N 3.26Å; A340-H342 PolarHBondContact O-N 2.95Å |
| 343 | T | 43.7 | Very low | 50.8 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 56% | 0.558 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.2 | -21.5 | -179.1 | 49 | 0 | 0 | 0 | 0 | 113.6 | A340 | A340-T343 PolarHBondContact O-OG1 2.83Å |
| 344 | S | 40.7 | Very low | 48.9 | Very low | 81 Ų | 81 | 106.1 Ų | 106.1 | 57% | 0.566 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -92.8 | -27.4 | -179.6 | 50 | 0 | 0 | 0 | 0 | 113.9 | A340 S346 | A340-S344 PolarHBondContact O-OG 3.22Å; S344-S346 PolarHBondContact O-N 2.93Å |
| 345 | L | 39 | Very low | 46.5 | Very low | 136 Ų | 136 | 109.1 Ų | 109.1 | 71% | 0.712 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 6 | -170.1 | -150.2 | 69.7 | 0 | 0 | 0 | 115.2 | ||
| 346 | S | 37.6 | Very low | 44.5 | Very low | 95 Ų | 95 | 113.3 Ų | 113.3 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 18.1 | -175.2 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | S344 | S344-S346 PolarHBondContact O-N 2.93Š|
| 347 | K | 39.8 | Very low | 42.2 | Very low | 194 Ų | 194 | 122.9 Ų | 122.9 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -128.8 | 5.5 | 176.4 | -93.5 | -175.8 | 175.5 | 178.1 | 0 | 115.9 | ||
| 348 | T | 36 | Very low | 40.3 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -107 | 56.5 | -175.4 | 39.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 349 | T | 35.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -123 | 131.2 | 162.7 | -12.2 | 0 | 0 | 0 | 0 | 109 | ||
| 350 | A | 35.3 | Very low | 38.1 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 58.7 | 77.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 351 | L | 36 | Very low | 37.8 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | trans | -161.5 | 112.7 | 131 | -107 | 166.3 | 0 | 0 | 0 | 110.5 | Y353 | L351-Y353 HydrophobicContact CB-CE2 4.25Å; L351-Y353 HydrophobicContact CD1-CE2 4.49Å; L351-Y353 HydrophobicContact CD2-CE2 3.78Å; L351-Y353 HydrophobicContact CG-CE2 4.39Å | ||
| 352 | A | 34.2 | Very low | 37.6 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -97.2 | 110.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 353 | Y | 42.4 | Very low | 37.3 | Very low | 195 Ų | 195 | 137 Ų | 137 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -121 | 95.2 | 174.8 | -67.5 | -63.2 | 0 | 0 | 0 | 112.2 | L351 T355 | L351-Y353 HydrophobicContact CB-CE2 4.25Å; L351-Y353 HydrophobicContact CD1-CE2 4.49Å; L351-Y353 HydrophobicContact CD2-CE2 3.78Å; L351-Y353 HydrophobicContact CG-CE2 4.39Å; Y353-T355 PolarHBondContact O-N 2.97Å | ||
| 354 | S | 36.6 | Very low | 37 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 9.3 | 99.6 | 158.4 | 171.3 | 0 | 0 | 0 | 0 | 117.7 | R356 | S354-R356 PolarHBondContact O-N 2.99Š| ||
| 355 | T | 34.6 | Very low | 36.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -60.1 | 124.9 | 166.5 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | Y353 | Y353-T355 PolarHBondContact O-N 2.97Š| ||
| 356 | R | 39.5 | Very low | 36.5 | Very low | 228 Ų | 228 | 145.9 Ų | 145.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -130.8 | 96.5 | 159 | -78.4 | -162.4 | -178.1 | -154.3 | 3.1 | 112.1 | S354 | S354-R356 PolarHBondContact O-N 2.99Š| ||
| 357 | R | 34.3 | Very low | 36.3 | Very low | 229 Ų | 229 | 147.5 Ų | 147.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | 30.4 | 100.3 | 149.1 | -62.9 | -177.9 | 177.4 | -173.2 | -1.5 | 117.3 | ||||
| 358 | L | 37.8 | Very low | 36 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -118.4 | 107.5 | 132.2 | -72.7 | 176.5 | 0 | 0 | 0 | 107.3 | ||||
| 359 | N | 37.4 | Very low | 35.9 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -115.1 | 148.4 | 172.6 | -91.8 | 37.3 | 0 | 0 | 0 | 108 | ||||
| 360 | S | 35.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 82.4 | 135 | -171.2 | -32.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 361 | A | 35.2 | Very low | 35.7 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | cis | -120.4 | 122.2 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L363 | A361-L363 PolarHBondContact O-N 2.89Š| ||
| 362 | S | 37.6 | Very low | 35.5 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 113 | 174.5 | -50 | 0 | 0 | 0 | 0 | 109.9 | T364 | S362-T364 PolarHBondContact O-N 3.06Š| ||
| 363 | L | 35.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -76.6 | 67.6 | 173.8 | -71.4 | 177.8 | 0 | 0 | 0 | 111.5 | A361 L365 | A361-L363 PolarHBondContact O-N 2.89Å; L363-L365 PolarHBondContact O-N 3.3Å | ||
| 364 | T | 36.1 | Very low | 34.9 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | trans | -75.9 | 83.7 | 173.2 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | S362 R366 | S362-T364 PolarHBondContact O-N 3.06Å; T364-R366 PolarHBondContact O-N 3.01Å | ||
| 365 | L | 37 | Very low | 34.6 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 64.5 | 169.6 | -70.9 | 179.5 | 0 | 0 | 0 | 111.6 | L363 S367 | L363-L365 PolarHBondContact O-N 3.3Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.96Å | ||
| 366 | R | 33.4 | Very low | 34.5 | Very low | 219 Ų | 219 | 153 Ų | 153 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 83.3 | 166.2 | -86 | -177.4 | 146.2 | 165.6 | -5.7 | 109.8 | T364 S368 | T364-R366 PolarHBondContact O-N 3.01Å; R366-S368 PolarHBondContact O-N 3.02Å | ||
| 367 | S | 33.1 | Very low | 34.1 | Very low | 129 Ų | 129 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -79.2 | 73.3 | 170.3 | -161.3 | 0 | 0 | 0 | 0 | 110.6 | L365 | L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.96Å | ||
| 368 | S | 34.2 | Very low | 34 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -134.8 | 105.7 | 175.7 | 63.2 | 0 | 0 | 0 | 0 | 111 | R366 | R366-S368 PolarHBondContact O-N 3.02Š| ||
| 369 | S | 32.6 | Very low | 33.9 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -35.3 | 125.8 | 176 | -176.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 370 | A | 36 | Very low | 33.8 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -162.2 | 84.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R372 | A370-R372 PolarHBondContact O-N 3.16Š| ||
| 371 | D | 31.5 | Very low | 33.6 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -39.9 | 122.1 | 157.4 | 164.5 | 42.3 | 0 | 0 | 0 | 112.9 | ||||
| 372 | R | 31.9 | Very low | 33.5 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 178.3 | 133.8 | 120.8 | -98.5 | 162.6 | -162.6 | -125.8 | 0.1 | 118.5 | A370 | A370-R372 PolarHBondContact O-N 3.16Š| |||
| 373 | R | 32.4 | Very low | 33.3 | Very low | 207 Ų | 207 | 128.7 Ų | 128.7 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | 103.2 | 134.8 | 135.3 | -84.9 | 175.5 | -67.4 | -178.6 | 0 | 120.7 | ||||
| 374 | N | 30.8 | Very low | 33 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | 68.1 | 101.5 | 155.5 | -61.5 | 9.9 | 0 | 0 | 0 | 117.5 | ||||
| 375 | F | 29.2 | Very low | 32.8 | Very low | 195 Ų | 195 | 127.5 Ų | 127.5 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | S | Bend | -148.3 | 127.2 | 103.1 | -114.7 | -87.5 | 0 | 0 | 0 | 110.2 | |||
| 376 | M | 33.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 121.2 Ų | 121.2 | 80% | 0.798 | 70% | 0.697 | S | S | * | * | trans | 47 | 109.6 | 160.7 | -61.6 | 171.8 | 88.8 | 0 | 0 | 118.7 | ||||
| 377 | S | 31.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 113.9 Ų | 113.9 | 87% | 0.867 | 68% | 0.677 | S | S | * | * | 65.8 | 107.7 | 86 | -177.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 378 | G | 32.2 | Very low | 32.6 | Very low | 68 Ų | 68 | 112 Ų | 112 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | cis | 169.7 | -179.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 379 | T | 34.4 | Very low | 32.5 | Very low | 125 Ų | 125 | 111.1 Ų | 111.1 | 77% | 0.767 | 65% | 0.654 | S | S | * | * | trans | 81.1 | 87 | 159.6 | -46.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 380 | M | 35.7 | Very low | 32.8 | Very low | 111 Ų | 111 | 109.3 Ų | 109.3 | 55% | 0.547 | 65% | 0.647 | S | S | . | * | trans | 77.6 | 156.8 | 138.8 | -51.4 | -55.4 | -66.2 | 0 | 0 | 122.4 | T984 | M380-T984 WeakPolarHBondContact CE-O 3.11Š| ||
| 381 | G | 32.4 | Very low | 33 | Very low | 52 Ų | 52 | 113 Ų | 113 | 54% | 0.536 | 65% | 0.648 | S | S | . | * | trans | -82.7 | -151.8 | -162 | 0 | 0 | 0 | 0 | 0 | 119.6 | T981 S982 | G381-T981 VanDerWaalsContact C-C 3.46Å; G381-T981 CarbonylContact C-O 2.78Å; G381-T981 CarbonylContact O-C 3.55Å; G381-T981 VanDerWaalsContact O-C 3.28Å; G381-S982 VanDerWaalsContact O-CA 3.31Å; G381-S982 WeakPolarHBondContact O-CA 3.43Å; G381-S982 WeakPolarHBondContact O-CB 3.21Å; G381-S982 PolarHBondContact O-N 3.21Å | ||
| 382 | G | 32 | Very low | 33.4 | Very low | 46 Ų | 46 | 112.3 Ų | 112.3 | 47% | 0.474 | 65% | 0.65 | S | S | . | * | cis | 158.1 | 87.6 | 10.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | T981 | G382-T981 CarbonylContact C-O 3.58Å; G382-T981 WeakPolarHBondContact CA-O 3.49Å; G382-T981 VanDerWaalsContact N-C 3.25Å; G382-T981 PolarHBondContact N-O 2.94Å; G382-T981 PolarHBondContact O-N 2.9Å; G382-T981 VanDerWaalsContact O-O 3.1Å | ||
| 383 | S | 33.9 | Very low | 33.6 | Very low | 58 Ų | 58 | 107.2 Ų | 107.2 | 41% | 0.406 | 65% | 0.648 | S | S | . | * | trans | 79.5 | 137.3 | 150.2 | -145.9 | 0 | 0 | 0 | 0 | 126.9 | L979 | S383-L979 CarbonylContact C-O 3.57Š| ||
| 384 | F | 27.9 | Very low | 33.8 | Very low | 176 Ų | 176 | 104.3 Ų | 104.3 | 77% | 0.772 | 65% | 0.647 | S | S | * | * | trans | 116.2 | 123.8 | 139 | -63.7 | -59.1 | 0 | 0 | 0 | 125.9 | F978 L979 | F384-F978 CarbonylContact C-O 3.2Å; F384-F978 VanDerWaalsContact CA-O 3.26Å; F384-F978 WeakPolarHBondContact CA-O 3.21Å; F384-F978 PolarHBondContact N-O 3.14Å; F384-L979 VanDerWaalsContact N-C 3.32Å; F384-L979 PolarHBondContact N-O 3Å | ||
| 385 | A | 32.8 | Very low | 34.1 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 60% | 0.595 | 64% | 0.644 | S | S | * | * | trans | 59.9 | 156.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | F978 | A385-F978 CarbonylContact C-O 3.28Å; A385-F978 PolarHBondContact N-O 3.09Å; A385-F978 CarbonylContact O-C 3.43Å; A385-F978 VanDerWaalsContact O-CB 3.23Å; A385-F978 WeakPolarHBondContact O-CB 3.34Å; A385-F978 PolarHBondContact O-N 3.44Å; A385-F978 VanDerWaalsContact O-O 3.07Å | ||
| 386 | G | 33.4 | Very low | 34.2 | Very low | 36 Ų | 36 | 105.8 Ų | 105.8 | 37% | 0.371 | 64% | 0.641 | S | S | . | * | B | Isolated β-bridge | cis | 178.1 | 169.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 387 | T | 34.3 | Very low | 34.2 | Very low | 65 Ų | 65 | 101.6 Ų | 101.6 | 40% | 0.399 | 63% | 0.632 | S | S | . | * | cis | -145.8 | -150.4 | -15.1 | -32 | 0 | 0 | 0 | 0 | 110.8 | Q976 K977 | T387-Q976 WeakPolarHBondContact CA-O 3.38Å; T387-Q976 WeakPolarHBondContact O-CG 3.34Å; T387-K977 VanDerWaalsContact O-CD 3.25Å; T387-K977 WeakPolarHBondContact O-CD 3.3Å; T387-K977 VanDerWaalsContact O-CE 3.29Å; T387-K977 WeakPolarHBondContact O-CE 3.43Å; T387-K977 PolarHBondContact O-NZ 3.39Å | ||
| 388 | L | 31 | Very low | 34.4 | Very low | 89 Ų | 89 | 104.5 Ų | 104.5 | 47% | 0.466 | 63% | 0.632 | S | S | . | * | trans | -54.6 | 176.5 | -170.4 | -75 | 150 | 0 | 0 | 0 | 117.8 | K974 S975 Q976 | L388-K974 HydrophobicContact CD2-CB 4.02Å; L388-K974 HydrophobicContact CD2-CD 4.11Å; L388-K974 HydrophobicContact CD2-CG 3.69Å; L388-S975 WeakPolarHBondContact CD2-O 3.49Å; L388-S975 WeakPolarHBondContact CG-O 3.41Å; L388-Q976 HydrophobicContact CG-CB 4.45Å | ||
| 389 | A | 33.5 | Very low | 34.5 | Very low | 72 Ų | 72 | 105.7 Ų | 105.7 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | cis | -139.4 | -146.8 | 6.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 390 | A | 37.6 | Very low | 34.5 | Very low | 89 Ų | 89 | 108.9 Ų | 108.9 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | cis | -161.9 | -168.9 | 11.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 391 | Q | 41.2 | Very low | 34.4 | Very low | 175 Ų | 175 | 107.1 Ų | 107.1 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -157.4 | -173.6 | 179.7 | -85.1 | -67.8 | -6.1 | 0 | 0 | 109.1 | ||||
| 392 | P | 40 | Very low | 34.5 | Very low | 111 Ų | 111 | 110.5 Ų | 110.5 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | cis | -145.1 | 176 | 3.7 | 45.9 | -26.2 | 0 | 0 | 0 | 120.2 | ||||
| 393 | A | 35.5 | Very low | 34.5 | Very low | 81 Ų | 81 | 115 Ų | 115 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | trans | 76.6 | 136.7 | 132.6 | 0 | 0 | 0 | 0 | 0 | 128.8 | ||||
| 394 | L | 36.9 | Very low | 34.3 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | 97.1 | 134.6 | 132.8 | -80.2 | 164.3 | 0 | 0 | 0 | 126.8 | ||||
| 395 | K | 36.9 | Very low | 34.5 | Very low | 155 Ų | 155 | 115.5 Ų | 115.5 | 67% | 0.674 | 69% | 0.689 | S | S | * | * | trans | 79.6 | 143.6 | 146.6 | -74.2 | 163.4 | -176.9 | 167.9 | 0 | 120.4 | ||||
| 396 | R | 31.7 | Very low | 34.4 | Very low | 209 Ų | 209 | 116.3 Ų | 116.3 | 79% | 0.789 | 69% | 0.69 | S | S | * | * | cis | 171.1 | 136.7 | 4.6 | 157.2 | -173.5 | -81 | 176.1 | -10.9 | 111.7 | ||||
| 397 | A | 33.8 | Very low | 34.4 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | trans | 75 | 137.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 398 | Q | 35.8 | Very low | 34.4 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | 63.6 | 152.5 | 135.1 | -71.2 | 167.2 | -2.9 | 0 | 0 | 121.8 | ||||
| 399 | S | 33.3 | Very low | 34.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | cis | -176 | 169.5 | -25.2 | 54.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 400 | M | 34.2 | Very low | 34.5 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 94% | 0.941 | 74% | 0.735 | S | S | * | * | trans | 79 | 154 | 165.3 | -41 | -155.4 | 83.5 | 0 | 0 | 119.8 | ||||
| 401 | G | 33.3 | Very low | 34.2 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | 131.2 | 117.5 | 91.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 402 | V | 34.7 | Very low | 33.8 | Very low | 122.5 Ų | 122.5 | 129.4 Ų | 129.4 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | -116.9 | 157.3 | -85.7 | -141.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 403 | N | 32.7 | Very low | 33.4 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 34.9 | 134.5 | 154.8 | -55 | -14.5 | 0 | 0 | 0 | 120 | ||||
| 404 | A | 29.6 | Very low | 33.3 | Very low | 88.5 Ų | 88.5 | 136.9 Ų | 136.9 | 73% | 0.731 | 74% | 0.736 | S | S | * | * | 108.2 | 136.6 | 81.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 405 | I | 32 | Very low | 33 | Very low | 156.5 Ų | 156.5 | 135 Ų | 135 | 80% | 0.803 | 73% | 0.734 | S | S | * | * | trans | 81.3 | 119.4 | 151.2 | -57.7 | 167.5 | 0 | 0 | 0 | 119.4 | ||||
| 406 | S | 31.2 | Very low | 32.8 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | trans | 79.4 | 117.6 | 141.2 | -116.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 407 | R | 32.7 | Very low | 33 | Very low | 207.5 Ų | 207.5 | 129.2 Ų | 129.2 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | 84.3 | 139.2 | 121.8 | -93.9 | -174.2 | 169.6 | 89.2 | -0.6 | 123.1 | |||||
| 408 | D | 33.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | trans | 65.2 | 126.7 | 142.4 | -65.6 | -43.7 | 0 | 0 | 0 | 120.3 | ||||
| 409 | Q | 34.8 | Very low | 32.6 | Very low | 139.5 Ų | 139.5 | 131.2 Ų | 131.2 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | 130.3 | 151.2 | 56.6 | -86 | 177.8 | 54.9 | 0 | 0 | 112.6 | |||||
| 410 | Q | 32.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | 134.1 | 130.7 | 73.4 | -98.3 | 172.8 | 34.6 | 0 | 0 | 115.1 | |||||
| 411 | A | 31.3 | Very low | 32.3 | Very low | 96.5 Ų | 96.5 | 131.7 Ų | 131.7 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | 76.6 | 148.7 | 135 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 412 | A | 34.2 | Very low | 32.1 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | 138.5 | 125.6 | 79.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 413 | E | 30.5 | Very low | 32 | Very low | 145.5 Ų | 145.5 | 133.1 Ų | 133.1 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | 62.7 | 135.3 | 126.6 | -61.9 | -157.6 | 146.6 | 0 | 0 | 123.1 | |||||
| 414 | R | 32.8 | Very low | 32 | Very low | 204.5 Ų | 204.5 | 131.3 Ų | 131.3 | 77% | 0.772 | 73% | 0.727 | S | S | * | * | 134 | 142.8 | 69.5 | -89.2 | 173 | -152.6 | -142.2 | 7.2 | 116.3 | |||||
| 415 | S | 32.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | 77.1 | 111.6 | 145.3 | -161.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 416 | S | 31.2 | Very low | 32.1 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | 62.3 | 131.7 | 88.3 | -50.4 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 417 | T | 35.6 | Very low | 32.2 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | -154.6 | 165.8 | 70.3 | 33 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 418 | D | 29.3 | Very low | 32.3 | Very low | 125.5 Ų | 125.5 | 126.8 Ų | 126.8 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | -80.7 | 168.2 | -172.9 | -58.2 | -79.3 | 0 | 0 | 0 | 114 | R472 | D418-R472 VanDerWaalsContact CG-NH1 3.26Å; D418-R472 IonicContact OD1-NH1 3.46Å; D418-R472 PolarHBondContact OD1-NH1 3.36Å; D418-R472 IonicContact OD2-CZ 3.64Å; D418-R472 IonicContact OD2-NH1 3.8Å; D418-R472 PolarHBondContact OD2-NH1 3.48Å; D418-R472 IonicContact OD2-NH2 2.65Å | ||
| 419 | I | 32 | Very low | 32.2 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | -149.3 | 156.3 | 91.5 | -84 | 161.2 | 0 | 0 | 0 | 111.8 | |||||
| 420 | H | 29.6 | Very low | 32 | Very low | 158.5 Ų | 158.5 | 120.8 Ų | 120.8 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -131.8 | 156.7 | -164.1 | 169.3 | -97.3 | 0 | 0 | 0 | 113.9 | ||||
| 421 | L | 31.5 | Very low | 32.1 | Very low | 137.5 Ų | 137.5 | 122.2 Ų | 122.2 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | 58.5 | 141.2 | 163.4 | -95.6 | 89.7 | 0 | 0 | 0 | 119.8 | ||||
| 422 | A | 29.6 | Very low | 32.3 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | 95 | 145.6 | 87.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 423 | I | 32.2 | Very low | 32.3 | Very low | 147.5 Ų | 147.5 | 121.8 Ų | 121.8 | 76% | 0.756 | 69% | 0.693 | S | S | * | * | -61.5 | 134.7 | 86.6 | -56.2 | 171 | 0 | 0 | 0 | 114.4 | T425 | I423-T425 HydrophobicContact CG2-CG2 4.1Š| |||
| 424 | T | 32.4 | Very low | 32.6 | Very low | 102 Ų | 102 | 123 Ų | 123 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | trans | -151.9 | 140.1 | 157.8 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 425 | T | 33.9 | Very low | 32.6 | Very low | 100.5 Ų | 100.5 | 118.1 Ų | 118.1 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | trans | -110.6 | 173.1 | -178.7 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | I423 K1382 | I423-T425 HydrophobicContact CG2-CG2 4.1Å; T425-K1382 VanDerWaalsContact O-CE 3.27Å; T425-K1382 WeakPolarHBondContact O-CE 3.47Å | ||
| 426 | L | 31.1 | Very low | 32.7 | Very low | 144.5 Ų | 144.5 | 116.1 Ų | 116.1 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | trans | 130.3 | 142.8 | 161.7 | -78.8 | 169.1 | 0 | 0 | 0 | 113.2 | K1382 | L426-K1382 WeakPolarHBondContact O-CB 3.5Å; L426-K1382 WeakPolarHBondContact O-CD 3.49Å; L426-K1382 WeakPolarHBondContact O-CE 3.19Å; L426-K1382 WeakPolarHBondContact O-CG 3.36Å | ||
| 427 | A | 32.5 | Very low | 32.8 | Very low | 75 Ų | 75 | 116.2 Ų | 116.2 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | S | Bend | -141.3 | 157.4 | -88.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1384 | A427-T1384 VanDerWaalsContact C-OG1 3.24Å; A427-T1384 PolarHBondContact O-OG1 3.48Å | |
| 428 | T | 35.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 115.4 Ų | 115.4 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | 113.9 | 142.3 | 68.5 | -103.7 | 0 | 0 | 0 | 0 | 113.4 | T1384 | T428-T1384 PolarHBondContact N-OG1 2.91Š| |||
| 429 | S | 31.1 | Very low | 32.9 | Very low | 73.5 Ų | 73.5 | 115.6 Ų | 115.6 | 51% | 0.514 | 69% | 0.691 | S | S | . | * | -151.5 | -135.4 | 73.2 | -171.3 | 0 | 0 | 0 | 0 | 112.5 | Y431 R1387 | S429-Y431 WeakPolarHBondContact OG-CE1 3.41Å; S429-Y431 VanDerWaalsContact OG-CZ 3.22Å; S429-Y431 PolarHBondContact OG-OH 2.81Å; S429-R1387 PolarHBondContact O-NH1 3.38Å | |||
| 430 | G | 32.2 | Very low | 32.9 | Very low | 49 Ų | 49 | 114.5 Ų | 114.5 | 51% | 0.505 | 69% | 0.687 | S | S | . | * | trans | -133 | 157.3 | -157.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1387 | G430-R1387 WeakPolarHBondContact O-CB 2.97Š| ||
| 431 | Y | 34.2 | Very low | 33 | Very low | 191.5 Ų | 191.5 | 112.1 Ų | 112.1 | 75% | 0.751 | 69% | 0.687 | S | S | * | * | -145.6 | 146.4 | 84.9 | -69.2 | -82.3 | 0 | 0 | 0 | 110.4 | S429 S1388 | S429-Y431 WeakPolarHBondContact OG-CE1 3.41Å; S429-Y431 VanDerWaalsContact OG-CZ 3.22Å; S429-Y431 PolarHBondContact OG-OH 2.81Å; Y431-S1388 WeakPolarHBondContact O-CB 3.24Å; Y431-S1388 PolarHBondContact O-OG 2.93Å | |||
| 432 | A | 34.7 | Very low | 32.9 | Very low | 60 Ų | 60 | 109.2 Ų | 109.2 | 50% | 0.496 | 69% | 0.691 | S | S | . | * | 133.1 | 151.2 | 65.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1388 | A432-S1388 PolarHBondContact O-OG 3.01Š| |||
| 433 | T | 34.9 | Very low | 32.9 | Very low | 114.5 Ų | 114.5 | 117.1 Ų | 117.1 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | -121.4 | 160.7 | -96.2 | 35.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 434 | M | 35.5 | Very low | 32.8 | Very low | 171 Ų | 171 | 114.7 Ų | 114.7 | 84% | 0.842 | 70% | 0.699 | S | S | * | * | -130.4 | -162.1 | 78 | -125.5 | -12.2 | 129.8 | 0 | 0 | 111.7 | |||||
| 435 | S | 32.8 | Very low | 32.7 | Very low | 100.5 Ų | 100.5 | 114.9 Ų | 114.9 | 70% | 0.703 | 71% | 0.705 | S | S | * | * | trans | -126.6 | 154.2 | -168.8 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 436 | G | 34.7 | Very low | 32.6 | Very low | 63.5 Ų | 63.5 | 118.8 Ų | 118.8 | 66% | 0.655 | 72% | 0.716 | S | S | * | * | 177 | 101.4 | -95.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1393 | G436-E1393 WeakPolarHBondContact CA-OE1 3.45Å; G436-E1393 PolarHBondContact N-OE1 2.83Å | |||
| 437 | S | 32.6 | Very low | 33 | Very low | 102.5 Ų | 102.5 | 117.1 Ų | 117.1 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | trans | -9.7 | 140 | 163.6 | -171.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 438 | V | 34.9 | Very low | 33.2 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 76% | 0.758 | 72% | 0.72 | S | S | * | * | -173.6 | 139.2 | 122.8 | 143.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 439 | N | 33.5 | Very low | 33 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 137.1 | 120.3 | 167 | -9.9 | -54.6 | 0 | 0 | 0 | 117.9 | ||||
| 440 | D | 31.8 | Very low | 33.2 | Very low | 151.5 Ų | 151.5 | 124 Ų | 124 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | 131.8 | 157.6 | 126.8 | -132.4 | 5.2 | 0 | 0 | 0 | 115.5 | |||||
| 441 | S | 30.8 | Very low | 33.4 | Very low | 107.5 Ų | 107.5 | 127.9 Ų | 127.9 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | 110.8 | 128.5 | -111.2 | -2.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 442 | G | 30.2 | Very low | 33.4 | Very low | 76.5 Ų | 76.5 | 123.9 Ų | 123.9 | 79% | 0.789 | 72% | 0.717 | S | S | * | * | trans | 154.7 | -134.9 | 164 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 443 | R | 30.3 | Very low | 33.4 | Very low | 246 Ų | 246 | 125.7 Ų | 125.7 | 93% | 0.928 | 72% | 0.718 | S | S | * | * | trans | 64.9 | 127.4 | 159.6 | -125.4 | -174.2 | 179.1 | -154.1 | -0.2 | 118.3 | ||||
| 444 | S | 28.7 | Very low | 33.2 | Very low | 96.5 Ų | 96.5 | 127.6 Ų | 127.6 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | 116.2 | 140.3 | 59.6 | 178.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 445 | S | 31.8 | Very low | 33 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | 123.3 | 141.3 | 128.6 | 37.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 446 | H | 31.8 | Very low | 32.8 | Very low | 182.5 Ų | 182.5 | 127.4 Ų | 127.4 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | -11.4 | 171 | 112 | -78.5 | -71.1 | 0 | 0 | 0 | 112.7 | |||||
| 447 | P | 38.7 | Very low | 32.5 | Very low | 108.5 Ų | 108.5 | 132.5 Ų | 132.5 | 71% | 0.705 | 72% | 0.723 | S | S | * | * | cis | -112.4 | -160.8 | -30.3 | 41.6 | -31.9 | 0 | 0 | 0 | 110.9 | ||||
| 448 | K | 35.8 | Very low | 32.6 | Very low | 172.5 Ų | 172.5 | 132 Ų | 132 | 75% | 0.75 | 72% | 0.715 | S | S | * | * | -159.7 | 157.2 | 63.8 | -103.8 | -173.3 | 168.2 | -170.5 | 0 | 110.9 | I450 | K448-I450 HydrophobicContact CD-CD1 4.46Š| |||
| 449 | N | 32.5 | Very low | 32.5 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | -15.1 | 156.5 | 116.2 | -72 | 18.3 | 0 | 0 | 0 | 112.7 | E451 | N449-E451 PolarHBondContact ND2-OE1 2.99Š| |||
| 450 | I | 35.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 58% | 0.579 | 72% | 0.716 | S | S | * | * | -156.3 | 138.9 | 77 | -103.8 | 143.3 | 0 | 0 | 0 | 108.3 | K448 | K448-I450 HydrophobicContact CD-CD1 4.46Š| |||
| 451 | E | 35.7 | Very low | 32.3 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 62% | 0.617 | 71% | 0.709 | S | S | * | * | trans | -7 | -161.9 | 154.1 | -53 | 129.6 | 174.5 | 0 | 0 | 117 | N449 | N449-E451 PolarHBondContact ND2-OE1 2.99Š| ||
| 452 | D | 33.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 57% | 0.572 | 71% | 0.71 | S | S | * | * | -140.6 | 161.8 | -81.8 | -31.9 | -42.8 | 0 | 0 | 0 | 113.9 | |||||
| 453 | L | 34.1 | Very low | 32.5 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 51% | 0.513 | 70% | 0.703 | S | S | . | * | -165.4 | 139.9 | 62.4 | -94.8 | 149.8 | 0 | 0 | 0 | 111.4 | |||||
| 454 | E | 31.5 | Very low | 32.4 | Very low | 155.5 Ų | 155.5 | 128.4 Ų | 128.4 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | 50.8 | 142.5 | 137.2 | -70.2 | 172.2 | 169.4 | 0 | 0 | 123.8 | ||||
| 455 | E | 31 | Very low | 32.4 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | 139.8 | 148.8 | 64.8 | -102.3 | -170 | 150.8 | 0 | 0 | 118.3 | |||||
| 456 | S | 29.1 | Very low | 32.5 | Very low | 104.5 Ų | 104.5 | 132 Ų | 132 | 73% | 0.731 | 70% | 0.698 | S | S | * | * | trans | 70.9 | 142.7 | 147.7 | 80.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 457 | E | 29.1 | Very low | 32.3 | Very low | 171.5 Ų | 171.5 | 129.9 Ų | 129.9 | 80% | 0.801 | 69% | 0.693 | S | S | * | * | cis | -163.3 | 168.8 | -7.9 | -129.1 | -159.7 | 155.5 | 0 | 0 | 110.8 | ||||
| 458 | V | 33.2 | Very low | 31.9 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | trans | 60.8 | 124.2 | 143 | 166.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 459 | K | 34.5 | Very low | 31.5 | Very low | 169.5 Ų | 169.5 | 130.7 Ų | 130.7 | 74% | 0.737 | 70% | 0.703 | S | S | * | * | cis | -140.8 | 149.3 | 7.1 | -103 | 139.3 | -164 | 124.7 | 0 | 111.3 | ||||
| 460 | N | 28.8 | Very low | 31.4 | Very low | 138.5 Ų | 138.5 | 127.6 Ų | 127.6 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | 53.2 | 132.3 | 110.6 | -88.8 | 17.1 | 0 | 0 | 0 | 116.1 | |||||
| 461 | S | 31.7 | Very low | 31.2 | Very low | 93.5 Ų | 93.5 | 133.2 Ų | 133.2 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | cis | -164.9 | 152.8 | 24.6 | 26.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 462 | Q | 32.7 | Very low | 31 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | 118.1 | 154 | 68.6 | -106.2 | 170.5 | -61.2 | 0 | 0 | 115.8 | |||||
| 463 | S | 31.3 | Very low | 30.7 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | 107.1 | 133.8 | 73.1 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 464 | S | 28.8 | Very low | 30.5 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | cis | 121.7 | 144.5 | 32.9 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 465 | S | 29.6 | Very low | 30.5 | Very low | 102.5 Ų | 102.5 | 132.7 Ų | 132.7 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | 66.9 | 124.5 | 117.6 | 81.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 466 | Q | 32.7 | Very low | 30.4 | Very low | 176.5 Ų | 176.5 | 130.2 Ų | 130.2 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | -164.1 | 149.5 | 55.4 | -116.4 | 165.7 | -45.9 | 0 | 0 | 108.9 | |||||
| 467 | N | 27.4 | Very low | 30.5 | Very low | 138.5 Ų | 138.5 | 136.7 Ų | 136.7 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | -5.1 | 139.3 | 126.4 | -48.8 | 2.2 | 0 | 0 | 0 | 111.4 | |||||
| 468 | E | 30.4 | Very low | 30.5 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | -152 | 153.8 | 78.2 | -140.1 | 162.1 | 156.8 | 0 | 0 | 113.2 | |||||
| 469 | S | 28.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -84.2 | 124.2 | -178.6 | -7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 470 | G | 30 | Very low | 30 | Very low | 68.5 Ų | 68.5 | 132.7 Ų | 132.7 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | 143.1 | 139.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 471 | R | 31.4 | Very low | 30.1 | Very low | 230.5 Ų | 230.5 | 132.6 Ų | 132.6 | 87% | 0.87 | 73% | 0.733 | S | S | * | * | trans | 72.9 | 122.4 | 163.7 | -56.3 | 179.7 | -176.4 | -118.4 | -4.7 | 118.8 | ||||
| 472 | R | 30.6 | Very low | 30 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | 65.6 | 129 | 129.4 | -69.5 | -179.9 | 166.6 | -144.5 | 0.7 | 120.6 | D418 | D418-R472 VanDerWaalsContact CG-NH1 3.26Å; D418-R472 IonicContact OD1-NH1 3.46Å; D418-R472 PolarHBondContact OD1-NH1 3.36Å; D418-R472 IonicContact OD2-CZ 3.64Å; D418-R472 IonicContact OD2-NH1 3.8Å; D418-R472 PolarHBondContact OD2-NH1 3.48Å; D418-R472 IonicContact OD2-NH2 2.65Å | |||
| 473 | M | 27.7 | Very low | 30 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | cis | 110.9 | 128.1 | 49.8 | -85.8 | -162.5 | 3.4 | 0 | 0 | 112.6 | ||||
| 474 | T | 30.1 | Very low | 29.9 | Very low | 109.5 Ų | 109.5 | 133.3 Ų | 133.3 | 67% | 0.672 | 73% | 0.731 | S | S | * | * | trans | 59.1 | 133.1 | 143 | 59.1 | 0 | 0 | 0 | 0 | 120.7 | H1163 | T474-H1163 VanDerWaalsContact CB-CE1 3.47Å; T474-H1163 WeakPolarHBondContact CB-CE1 3.47Å; T474-H1163 PolarHBondContact O-CE1 3.07Å; T474-H1163 VanDerWaalsContact O-CE1 3.25Å; T474-H1163 PolarHBondContact OG1-CE1 2.82Å; T474-H1163 PolarHBondContact OG1-ND1 2.71Å | ||
| 475 | G | 31.5 | Very low | 30 | Very low | 58 Ų | 58 | 136.5 Ų | 136.5 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | trans | 150.7 | 109.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 476 | D | 30.1 | Very low | 30 | Very low | 108.5 Ų | 108.5 | 136.3 Ų | 136.3 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | 5.8 | 147 | 102.4 | -92.1 | -38.9 | 0 | 0 | 0 | 112.2 | H1162 H1163 | D476-H1162 HydrophobicContact CB-CB 4.02Å; D476-H1162 VanDerWaalsContact CG-CD2 3.5Å; D476-H1162 IonicContact OD1-CD2 3.85Å; D476-H1162 VanDerWaalsContact OD2-CB 3.27Å; D476-H1162 WeakPolarHBondContact OD2-CB 3.48Å; D476-H1162 IonicContact OD2-CD2 3.45Å; D476-H1162 PolarHBondContact OD2-CD2 3.32Å; D476-H1162 VanDerWaalsContact OD2-CD2 3.28Å; D476-H1162 IonicContact OD2-CG 3.62Å; D476-H1162 PolarHBondContact OD2-N 2.93Å; D476-H1163 PolarHBondContact N-NE2 2.97Å | |||
| 477 | W | 30.6 | Very low | 30 | Very low | 242 Ų | 242 | 134.5 Ų | 134.5 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | 147.7 | 113.3 | 176.9 | -62.4 | 102.9 | 0 | 0 | 0 | 112.2 | ||||
| 478 | S | 28.7 | Very low | 30.1 | Very low | 107.5 Ų | 107.5 | 137.1 Ų | 137.1 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | 170.3 | 133.3 | 88.5 | 72 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 479 | G | 30.1 | Very low | 30.2 | Very low | 67.5 Ų | 67.5 | 132 Ų | 132 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | trans | 125.6 | 124.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 480 | E | 27.4 | Very low | 30.3 | Very low | 172.5 Ų | 172.5 | 134.3 Ų | 134.3 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | cis | 126 | 131.9 | 44.1 | -95 | -172.9 | 127.2 | 0 | 0 | 111.2 | ||||
| 481 | N | 30.3 | Very low | 30.3 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | 138.5 | 142.7 | 104.8 | -71.4 | -59.2 | 0 | 0 | 0 | 117.3 | |||||
| 482 | Q | 28.8 | Very low | 30.2 | Very low | 168.5 Ų | 168.5 | 129.6 Ų | 129.6 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | -6.2 | 164.8 | 108.6 | -95.5 | -131.8 | 30.6 | 0 | 0 | 111.1 | |||||
| 483 | P | 33.6 | Very low | 30.1 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | -138.7 | -171 | 25.4 | 37 | -13.6 | 0 | 0 | 0 | 115.9 | ||||
| 484 | T | 29.9 | Very low | 30.3 | Very low | 100.5 Ų | 100.5 | 129.3 Ų | 129.3 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | 128.3 | 150.2 | 85.7 | 14.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 485 | Q | 30.4 | Very low | 30.3 | Very low | 166.5 Ų | 166.5 | 135.6 Ų | 135.6 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | 136.6 | 166.3 | 73.2 | -111 | 157.7 | 5.1 | 0 | 0 | 116.4 | |||||
| 486 | S | 29.8 | Very low | 30.3 | Very low | 97.5 Ų | 97.5 | 140.6 Ų | 140.6 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | -101.2 | 156.6 | 87.1 | 49.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 487 | D | 32.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -162.2 | 172.6 | 8.2 | -110.6 | -62.6 | 0 | 0 | 0 | 113 | ||||
| 488 | E | 29.6 | Very low | 30.4 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -15.4 | 140.2 | 164.9 | -64.4 | 177.8 | 150.1 | 0 | 0 | 116.1 | ||||
| 489 | G | 31.8 | Very low | 30.5 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | -176.4 | 145.1 | -89.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 490 | I | 32.1 | Very low | 30.5 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -0.1 | 116.3 | 179.2 | -60 | 169 | 0 | 0 | 0 | 114.2 | ||||
| 491 | S | 28.8 | Very low | 30.7 | Very low | 100.5 Ų | 100.5 | 135.4 Ų | 135.4 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | 62.5 | 129.4 | 107.2 | -170.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 492 | S | 29.9 | Very low | 30.8 | Very low | 100.5 Ų | 100.5 | 136.9 Ų | 136.9 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | -171.2 | 157.7 | 55 | -96.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 493 | R | 28.6 | Very low | 31.2 | Very low | 231 Ų | 231 | 132 Ų | 132 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | 0.3 | 140.4 | 165.1 | -109.5 | 179.4 | -120.2 | -165.5 | -0.6 | 117.8 | ||||
| 494 | A | 31.1 | Very low | 31.5 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | 125.6 | 137.8 | 109.7 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 495 | W | 30.1 | Very low | 31.8 | Very low | 242 Ų | 242 | 134.7 Ų | 134.7 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | 134 | 170.2 | 79.2 | -81.6 | 4.5 | 0 | 0 | 0 | 115.3 | |||||
| 496 | K | 32 | Very low | 32.2 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | 119 | 124.3 | -125.8 | -126.3 | -169.9 | 177.3 | -162.8 | 0 | 116.1 | E498 | K496-E498 WeakPolarHBondContact CE-OE2 3.42Å; K496-E498 IonicContact NZ-OE2 2.64Å; K496-E498 PolarHBondContact NZ-OE2 3.02Å | |||
| 497 | S | 32.5 | Very low | 32.7 | Very low | 119.5 Ų | 119.5 | 129.9 Ų | 129.9 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | 137.4 | 150.3 | 143.6 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 498 | E | 30.1 | Very low | 33 | Very low | 175.5 Ų | 175.5 | 126.9 Ų | 126.9 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | -122.4 | 154.3 | 99.3 | -70.8 | 170.8 | 104.7 | 0 | 0 | 111.8 | K496 | K496-E498 WeakPolarHBondContact CE-OE2 3.42Å; K496-E498 IonicContact NZ-OE2 2.64Å; K496-E498 PolarHBondContact NZ-OE2 3.02Å | |||
| 499 | A | 30.8 | Very low | 33.7 | Very low | 108.5 Ų | 108.5 | 120.3 Ų | 120.3 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | trans | -141 | 131.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 500 | G | 30.2 | Very low | 34.2 | Very low | 75 Ų | 75 | 122.3 Ų | 122.3 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 176.7 | 115.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L502 | G500-L502 PolarHBondContact O-N 3.46Š|
| 501 | S | 31.3 | Very low | 34.9 | Very low | 110.5 Ų | 110.5 | 119.4 Ų | 119.4 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | 20.1 | 98.2 | 169.2 | -174 | 0 | 0 | 0 | 0 | 117.7 | G503 | S501-G503 PolarHBondContact O-N 2.78Š| ||
| 502 | L | 33.7 | Very low | 36 | Very low | 168.5 Ų | 168.5 | 120.5 Ų | 120.5 | 88% | 0.882 | 69% | 0.686 | S | S | * | * | trans | -96.3 | 104.1 | 159.6 | -115.1 | 123.6 | 0 | 0 | 0 | 109.1 | G500 | G500-L502 PolarHBondContact O-N 3.46Š| ||
| 503 | G | 36 | Very low | 37.3 | Very low | 64 Ų | 64 | 120.6 Ų | 120.6 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | trans | -171.6 | 9.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S501 | S501-G503 PolarHBondContact O-N 2.78Š| ||
| 504 | Q | 40.6 | Very low | 38.5 | Very low | 136.5 Ų | 136.5 | 113.3 Ų | 113.3 | 64% | 0.638 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -113.9 | -9.2 | -175.9 | -64.1 | -172.7 | -5.6 | 0 | 0 | 115.4 | A506 V507 T508 | Q504-A506 VanDerWaalsContact C-N 3.32Å; Q504-A506 PolarHBondContact O-N 2.91Å; Q504-A506 VanDerWaalsContact O-N 3.12Å; Q504-V507 PolarHBondContact O-N 2.87Å; Q504-T508 PolarHBondContact O-OG1 3.41Å |
| 505 | N | 35.9 | Very low | 40.1 | Very low | 120.5 Ų | 120.5 | 113.1 Ų | 113.1 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71 | -23.7 | -164.1 | -67 | 11.8 | 0 | 0 | 0 | 115 | T508 S509 | N505-T508 WeakPolarHBondContact CA-OG1 3.22Å; N505-T508 PolarHBondContact O-OG1 2.91Å; N505-S509 VanDerWaalsContact O-CB 3.22Å; N505-S509 WeakPolarHBondContact O-CB 3.21Å; N505-S509 PolarHBondContact O-N 2.92Å; N505-S509 VanDerWaalsContact O-N 3.09Å; N505-S509 PolarHBondContact O-OG 3.29Å |
| 506 | A | 38.5 | Very low | 41.1 | Very low | 75 Ų | 75 | 110.4 Ų | 110.4 | 62% | 0.62 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.7 | -32.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q504 S509 L510 | Q504-A506 VanDerWaalsContact C-N 3.32Å; Q504-A506 PolarHBondContact O-N 2.91Å; Q504-A506 VanDerWaalsContact O-N 3.12Å; A506-S509 PolarHBondContact O-OG 2.76Å; A506-L510 PolarHBondContact O-N 3.11Å |
| 507 | V | 40 | Very low | 42.3 | Very low | 87.5 Ų | 87.5 | 106.5 Ų | 106.5 | 53% | 0.53 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -86.9 | -38.2 | -177.5 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | Q504 S509 L510 F511 | Q504-V507 PolarHBondContact O-N 2.87Å; V507-S509 PolarHBondContact O-N 3.22Å; V507-L510 PolarHBondContact O-N 3.14Å; V507-F511 PolarHBondContact O-N 2.88Å |
| 508 | T | 39.5 | Very low | 43.2 | Very low | 76 Ų | 76 | 102.8 Ų | 102.8 | 47% | 0.466 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.8 | -38.7 | 172.2 | -0.6 | 0 | 0 | 0 | 0 | 111.3 | Q504 N505 L510 F511 Q512 | Q504-T508 PolarHBondContact O-OG1 3.41Å; N505-T508 WeakPolarHBondContact CA-OG1 3.22Å; N505-T508 PolarHBondContact O-OG1 2.91Å; T508-L510 VanDerWaalsContact C-N 3.32Å; T508-L510 PolarHBondContact O-N 3.15Å; T508-F511 PolarHBondContact O-N 3.34Å; T508-Q512 WeakPolarHBondContact O-CB 3.37Å; T508-Q512 PolarHBondContact O-N 3.09Å |
| 509 | S | 43.7 | Very low | 44.6 | Very low | 55 Ų | 55 | 97.1 Ų | 97.1 | 39% | 0.385 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.3 | -34.8 | 174.4 | 5.4 | 0 | 0 | 0 | 0 | 113.3 | N505 A506 V507 L513 | N505-S509 VanDerWaalsContact O-CB 3.22Å; N505-S509 WeakPolarHBondContact O-CB 3.21Å; N505-S509 PolarHBondContact O-N 2.92Å; N505-S509 VanDerWaalsContact O-N 3.09Å; N505-S509 PolarHBondContact O-OG 3.29Å; A506-S509 PolarHBondContact O-OG 2.76Å; V507-S509 PolarHBondContact O-N 3.22Å; S509-L513 WeakPolarHBondContact O-CA 3.38Å; S509-L513 VanDerWaalsContact O-CB 3.3Å; S509-L513 WeakPolarHBondContact O-CB 3.3Å; S509-L513 WeakPolarHBondContact O-CD1 3.21Å; S509-L513 WeakPolarHBondContact O-CG 3.35Å; S509-L513 PolarHBondContact O-N 3.21Å |
| 510 | L | 43.3 | Very low | 45.9 | Very low | 114.5 Ų | 114.5 | 97.8 Ų | 97.8 | 60% | 0.599 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.4 | -43.1 | 176.5 | -85.4 | 169.1 | 0 | 0 | 0 | 112.6 | A506 V507 T508 Q512 L513 N514 | A506-L510 PolarHBondContact O-N 3.11Å; V507-L510 PolarHBondContact O-N 3.14Å; T508-L510 VanDerWaalsContact C-N 3.32Å; T508-L510 PolarHBondContact O-N 3.15Å; L510-Q512 VanDerWaalsContact C-N 3.35Å; L510-L513 PolarHBondContact O-N 3.14Å; L510-N514 WeakPolarHBondContact O-CB 3.4Å; L510-N514 PolarHBondContact O-N 3.2Å |
| 511 | F | 45.6 | Very low | 46.8 | Very low | 107.5 Ų | 107.5 | 97.7 Ų | 97.7 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 175.8 | -171.5 | -109.9 | 0 | 0 | 0 | 111.7 | V507 T508 L513 N514 L515 | V507-F511 PolarHBondContact O-N 2.88Å; T508-F511 PolarHBondContact O-N 3.34Å; F511-L513 PolarHBondContact O-N 2.6Å; F511-N514 PolarHBondContact O-N 3.36Å; F511-L515 HydrophobicContact CD1-CD1 3.88Å; F511-L515 HydrophobicContact CD1-CG 4.47Å; F511-L515 HydrophobicContact CE1-CD1 3.55Å; F511-L515 HydrophobicContact CE1-CG 4.31Å; F511-L515 HydrophobicContact CE2-CD1 4.42Å; F511-L515 HydrophobicContact CE2-CG 4.41Å; F511-L515 HydrophobicContact CZ-CD1 4.08Å; F511-L515 HydrophobicContact CZ-CG 4.19Å; F511-L515 WeakPolarHBondContact O-CB 3.3Å; F511-L515 WeakPolarHBondContact O-CG 3.22Å; F511-L515 PolarHBondContact O-N 3Å |
| 512 | Q | 52.7 | Low | 47.7 | Very low | 123.5 Ų | 123.5 | 95.9 Ų | 95.9 | 58% | 0.577 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.1 | -34.2 | 175 | -167.6 | 178.7 | 29.2 | 0 | 0 | 112.3 | T508 L510 R516 | T508-Q512 WeakPolarHBondContact O-CB 3.37Å; T508-Q512 PolarHBondContact O-N 3.09Å; L510-Q512 VanDerWaalsContact C-N 3.35Å; Q512-R516 WeakPolarHBondContact O-CB 3.29Å; Q512-R516 PolarHBondContact O-N 3.16Å |
| 513 | L | 56.8 | Low | 48.2 | Very low | 102.5 Ų | 102.5 | 90.8 Ų | 90.8 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 171.1 | -88.8 | 165.7 | 0 | 0 | 0 | 111.5 | S509 L510 F511 R516 M517 | S509-L513 WeakPolarHBondContact O-CA 3.38Å; S509-L513 VanDerWaalsContact O-CB 3.3Å; S509-L513 WeakPolarHBondContact O-CB 3.3Å; S509-L513 WeakPolarHBondContact O-CD1 3.21Å; S509-L513 WeakPolarHBondContact O-CG 3.35Å; S509-L513 PolarHBondContact O-N 3.21Å; L510-L513 PolarHBondContact O-N 3.14Å; F511-L513 PolarHBondContact O-N 2.6Å; L513-R516 CarbonylContact O-C 3.51Å; L513-R516 PolarHBondContact O-N 3.21Å; L513-M517 WeakPolarHBondContact O-CB 3.31Å; L513-M517 PolarHBondContact O-N 3.06Å |
| 514 | N | 54.8 | Low | 48.5 | Very low | 78 Ų | 78 | 95.5 Ų | 95.5 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 176.5 | -137.3 | 41.3 | 0 | 0 | 0 | 110.5 | L510 F511 R516 M517 D518 | L510-N514 WeakPolarHBondContact O-CB 3.4Å; L510-N514 PolarHBondContact O-N 3.2Å; F511-N514 PolarHBondContact O-N 3.36Å; N514-R516 VanDerWaalsContact C-N 3.3Å; N514-R516 PolarHBondContact O-N 3.21Å; N514-M517 WeakPolarHBondContact O-CB 3.26Å; N514-M517 PolarHBondContact O-N 3.15Å; N514-M517 VanDerWaalsContact O-N 3.09Å; N514-D518 PolarHBondContact ND2-OD2 3.11Å; N514-D518 VanDerWaalsContact O-CB 3.29Å; N514-D518 WeakPolarHBondContact O-CB 3.38Å; N514-D518 PolarHBondContact O-N 3.13Å; N514-D518 VanDerWaalsContact O-OD2 3.09Å |
| 515 | L | 64.4 | Low | 48.7 | Very low | 72.5 Ų | 72.5 | 93.4 Ų | 93.4 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -35.2 | 173.3 | -74.7 | 174.7 | 0 | 0 | 0 | 113.3 | G63 F511 A519 | G63-L515 WeakPolarHBondContact O-CD2 3.44Å; F511-L515 HydrophobicContact CD1-CD1 3.88Å; F511-L515 HydrophobicContact CD1-CG 4.47Å; F511-L515 HydrophobicContact CE1-CD1 3.55Å; F511-L515 HydrophobicContact CE1-CG 4.31Å; F511-L515 HydrophobicContact CE2-CD1 4.42Å; F511-L515 HydrophobicContact CE2-CG 4.41Å; F511-L515 HydrophobicContact CZ-CD1 4.08Å; F511-L515 HydrophobicContact CZ-CG 4.19Å; F511-L515 WeakPolarHBondContact O-CB 3.3Å; F511-L515 WeakPolarHBondContact O-CG 3.22Å; F511-L515 PolarHBondContact O-N 3Å; L515-A519 VanDerWaalsContact O-CB 3.25Å; L515-A519 WeakPolarHBondContact O-CB 3.26Å; L515-A519 PolarHBondContact O-N 3.11Å |
| 516 | R | 51.6 | Low | 48.9 | Very low | 185.5 Ų | 185.5 | 92.8 Ų | 92.8 | 70% | 0.7 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -74.5 | -34.1 | 175.9 | -133.2 | -179.3 | 175.8 | 174.6 | -1.2 | 112.7 | Q512 L513 N514 F520 | Q512-R516 WeakPolarHBondContact O-CB 3.29Å; Q512-R516 PolarHBondContact O-N 3.16Å; L513-R516 CarbonylContact O-C 3.51Å; L513-R516 PolarHBondContact O-N 3.21Å; N514-R516 VanDerWaalsContact C-N 3.3Å; N514-R516 PolarHBondContact O-N 3.21Å; R516-F520 WeakPolarHBondContact O-CB 3.24Å; R516-F520 PolarHBondContact O-N 3.12Å |
| 517 | M | 55.6 | Low | 48.8 | Very low | 80.5 Ų | 80.5 | 96 Ų | 96 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.4 | -48.8 | 172 | -135 | -131.4 | 4.6 | 0 | 0 | 110.4 | T119 L513 N514 A519 F520 L521 | T119-M517 WeakPolarHBondContact O-CE 3.42Å; L513-M517 WeakPolarHBondContact O-CB 3.31Å; L513-M517 PolarHBondContact O-N 3.06Å; N514-M517 WeakPolarHBondContact O-CB 3.26Å; N514-M517 PolarHBondContact O-N 3.15Å; N514-M517 VanDerWaalsContact O-N 3.09Å; M517-A519 VanDerWaalsContact C-N 3.35Å; M517-A519 PolarHBondContact O-N 3.46Å; M517-F520 CarbonylContact O-C 3.54Å; M517-F520 PolarHBondContact O-N 3.12Å; M517-F520 VanDerWaalsContact O-N 3.16Å; M517-L521 HydrophobicContact CE-CD1 4.02Å; M517-L521 HydrophobicContact CG-CD1 4.36Å; M517-L521 WeakPolarHBondContact O-CB 3.38Å; M517-L521 WeakPolarHBondContact O-CG 3.46Å; M517-L521 PolarHBondContact O-N 3.15Å |
| 518 | D | 51.3 | Low | 48.6 | Very low | 41.5 Ų | 41.5 | 97.5 Ų | 97.5 | 22% | 0.222 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176 | -68.6 | -34 | 0 | 0 | 0 | 111.1 | R65 N514 F520 L521 N522 | R65-D518 IonicContact CZ-OD1 3.49Å; R65-D518 VanDerWaalsContact CZ-OD1 3.32Å; R65-D518 IonicContact CZ-OD2 3.19Å; R65-D518 IonicContact NE-OD2 3.68Å; R65-D518 PolarHBondContact NE-OD2 2.88Å; R65-D518 IonicContact NH1-OD1 3.79Å; R65-D518 PolarHBondContact NH1-OD1 3Å; R65-D518 IonicContact NH1-OD2 2.75Å; R65-D518 PolarHBondContact NH1-OD2 2.87Å; R65-D518 VanDerWaalsContact NH1-OD2 3.11Å; R65-D518 IonicContact NH2-OD1 2.72Å; R65-D518 PolarHBondContact NH2-OD1 2.87Å; R65-D518 IonicContact NH2-OD2 2.75Å; R65-D518 PolarHBondContact NH2-OD2 3.32Å; N514-D518 PolarHBondContact ND2-OD2 3.11Å; N514-D518 VanDerWaalsContact O-CB 3.29Å; N514-D518 WeakPolarHBondContact O-CB 3.38Å; N514-D518 PolarHBondContact O-N 3.13Å; N514-D518 VanDerWaalsContact O-OD2 3.09Å; D518-F520 VanDerWaalsContact C-N 3.35Å; D518-L521 PolarHBondContact O-N 2.78Å; D518-N522 WeakPolarHBondContact O-CB 3.4Å; D518-N522 VanDerWaalsContact O-CG 3.23Å; D518-N522 PolarHBondContact O-N 3.09Å; D518-N522 PolarHBondContact O-ND2 3.4Å; D518-N522 PolarHBondContact O-OD1 3.47Å |
| 519 | A | 60.8 | Low | 48.4 | Very low | 56.5 Ų | 56.5 | 97.9 Ų | 97.9 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L515 M517 S523 | L515-A519 VanDerWaalsContact O-CB 3.25Å; L515-A519 WeakPolarHBondContact O-CB 3.26Å; L515-A519 PolarHBondContact O-N 3.11Å; M517-A519 VanDerWaalsContact C-N 3.35Å; M517-A519 PolarHBondContact O-N 3.46Å; A519-S523 WeakPolarHBondContact O-CA 3.49Å; A519-S523 WeakPolarHBondContact O-CB 3.25Å; A519-S523 PolarHBondContact O-N 3.05Å |
| 520 | F | 57.3 | Low | 47.9 | Very low | 122.5 Ų | 122.5 | 101.2 Ų | 101.2 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.6 | -33.1 | 176.4 | 177.4 | -98.8 | 0 | 0 | 0 | 112.6 | R516 M517 D518 R524 | R516-F520 WeakPolarHBondContact O-CB 3.24Å; R516-F520 PolarHBondContact O-N 3.12Å; M517-F520 CarbonylContact O-C 3.54Å; M517-F520 PolarHBondContact O-N 3.12Å; M517-F520 VanDerWaalsContact O-N 3.16Å; D518-F520 VanDerWaalsContact C-N 3.35Å; F520-R524 VanDerWaalsContact CZ-NH1 3.31Å; F520-R524 WeakPolarHBondContact O-CB 3.33Å; F520-R524 PolarHBondContact O-N 2.64Å |
| 521 | L | 50.3 | Low | 47.4 | Very low | 73 Ų | 73 | 99.3 Ų | 99.3 | 38% | 0.382 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.4 | -54.2 | 172.1 | -70 | 171.9 | 0 | 0 | 0 | 110 | T119 M517 D518 S523 R524 D525 | T119-L521 HydrophobicContact CG2-CD1 4.26Å; M517-L521 HydrophobicContact CE-CD1 4.02Å; M517-L521 HydrophobicContact CG-CD1 4.36Å; M517-L521 WeakPolarHBondContact O-CB 3.38Å; M517-L521 WeakPolarHBondContact O-CG 3.46Å; M517-L521 PolarHBondContact O-N 3.15Å; D518-L521 PolarHBondContact O-N 2.78Å; L521-S523 VanDerWaalsContact C-N 3.31Å; L521-S523 PolarHBondContact O-N 2.98Å; L521-R524 CarbonylContact O-C 3.37Å; L521-R524 WeakPolarHBondContact O-CA 3.23Å; L521-R524 WeakPolarHBondContact O-CB 3.36Å; L521-R524 PolarHBondContact O-N 3.04Å; L521-D525 PolarHBondContact O-N 2.98Å |
| 522 | N | 49.3 | Very low | 46.9 | Very low | 73 Ų | 73 | 99.7 Ų | 99.7 | 39% | 0.39 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | 177.2 | -66.1 | -12.2 | 0 | 0 | 0 | 112 | R87 D518 R524 D525 D526 | R87-N522 PolarHBondContact NH1-OD1 2.8Å; D518-N522 WeakPolarHBondContact O-CB 3.4Å; D518-N522 VanDerWaalsContact O-CG 3.23Å; D518-N522 PolarHBondContact O-N 3.09Å; D518-N522 PolarHBondContact O-ND2 3.4Å; D518-N522 PolarHBondContact O-OD1 3.47Å; N522-R524 VanDerWaalsContact C-N 3.27Å; N522-R524 PolarHBondContact O-N 2.84Å; N522-D525 WeakPolarHBondContact O-CB 3.12Å; N522-D525 PolarHBondContact O-N 3.12Å; N522-D525 VanDerWaalsContact O-N 3.11Å; N522-D526 VanDerWaalsContact O-CG 3.31Å; N522-D526 PolarHBondContact O-N 2.79Å |
| 523 | S | 45.2 | Very low | 46.1 | Very low | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -17.4 | 176.7 | 178.8 | 0 | 0 | 0 | 0 | 113.7 | A519 L521 H527 | A519-S523 WeakPolarHBondContact O-CA 3.49Å; A519-S523 WeakPolarHBondContact O-CB 3.25Å; A519-S523 PolarHBondContact O-N 3.05Å; L521-S523 VanDerWaalsContact C-N 3.31Å; L521-S523 PolarHBondContact O-N 2.98Å; S523-H527 WeakPolarHBondContact O-CB 3.31Å; S523-H527 PolarHBondContact O-CD2 3.34Å; S523-H527 PolarHBondContact O-N 2.87Å |
| 524 | R | 42.2 | Very low | 44.8 | Very low | 161 Ų | 161 | 105.2 Ų | 105.2 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -87.5 | -23 | 176.2 | -164.1 | 170.9 | -176 | 129 | 2.5 | 112.2 | F520 L521 N522 H527 I528 | F520-R524 VanDerWaalsContact CZ-NH1 3.31Å; F520-R524 WeakPolarHBondContact O-CB 3.33Å; F520-R524 PolarHBondContact O-N 2.64Å; L521-R524 CarbonylContact O-C 3.37Å; L521-R524 WeakPolarHBondContact O-CA 3.23Å; L521-R524 WeakPolarHBondContact O-CB 3.36Å; L521-R524 PolarHBondContact O-N 3.04Å; N522-R524 VanDerWaalsContact C-N 3.27Å; N522-R524 PolarHBondContact O-N 2.84Å; R524-H527 CarbonylContact O-C 3.52Å; R524-H527 PolarHBondContact O-N 2.94Å; R524-I528 HydrophobicContact CG-CD1 4.37Å; R524-I528 VanDerWaalsContact O-CG1 3.28Å; R524-I528 WeakPolarHBondContact O-CG1 3.3Å; R524-I528 PolarHBondContact O-N 3.28Å |
| 525 | D | 44 | Very low | 43.8 | Very low | 93.5 Ų | 93.5 | 108.8 Ų | 108.8 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -82.7 | -31.8 | 174.4 | -60.8 | -29.8 | 0 | 0 | 0 | 111.4 | L521 N522 H527 I528 S529 | L521-D525 PolarHBondContact O-N 2.98Å; N522-D525 WeakPolarHBondContact O-CB 3.12Å; N522-D525 PolarHBondContact O-N 3.12Å; N522-D525 VanDerWaalsContact O-N 3.11Å; D525-H527 VanDerWaalsContact C-N 3.31Å; D525-H527 PolarHBondContact O-N 2.86Å; D525-I528 PolarHBondContact O-N 3.23Å; D525-I528 VanDerWaalsContact O-N 3.14Å; D525-S529 PolarHBondContact O-N 3.45Å |
| 526 | D | 39.5 | Very low | 42.3 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 58% | 0.578 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.3 | -13.4 | 176.4 | -72.2 | -32.5 | 0 | 0 | 0 | 113.4 | N522 S529 L530 | N522-D526 VanDerWaalsContact O-CG 3.31Å; N522-D526 PolarHBondContact O-N 2.79Å; D526-S529 PolarHBondContact O-N 2.79Å; D526-L530 WeakPolarHBondContact O-CB 3.22Å; D526-L530 PolarHBondContact O-N 2.82Å |
| 527 | H | 37.1 | Very low | 41.5 | Very low | 141 Ų | 141 | 111.4 Ų | 111.4 | 65% | 0.653 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -94.2 | -0.3 | -177 | -93.7 | -60 | 0 | 0 | 0 | 115.4 | S523 R524 D525 S531 | S523-H527 WeakPolarHBondContact O-CB 3.31Å; S523-H527 PolarHBondContact O-CD2 3.34Å; S523-H527 PolarHBondContact O-N 2.87Å; R524-H527 CarbonylContact O-C 3.52Å; R524-H527 PolarHBondContact O-N 2.94Å; D525-H527 VanDerWaalsContact C-N 3.31Å; D525-H527 PolarHBondContact O-N 2.86Å; H527-S531 WeakPolarHBondContact O-CB 3.25Å; H527-S531 PolarHBondContact O-N 3.27Å; H527-S531 PolarHBondContact O-OG 3.37Å |
| 528 | I | 36.6 | Very low | 40.3 | Very low | 121 Ų | 121 | 116 Ų | 116 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -101.1 | 7.1 | 168.6 | -59 | 170.3 | 0 | 0 | 0 | 110.2 | R524 D525 L530 S531 D532 | R524-I528 HydrophobicContact CG-CD1 4.37Å; R524-I528 VanDerWaalsContact O-CG1 3.28Å; R524-I528 WeakPolarHBondContact O-CG1 3.3Å; R524-I528 PolarHBondContact O-N 3.28Å; D525-I528 PolarHBondContact O-N 3.23Å; D525-I528 VanDerWaalsContact O-N 3.14Å; I528-L530 VanDerWaalsContact C-N 3.31Å; I528-L530 PolarHBondContact O-N 3.02Å; I528-S531 WeakPolarHBondContact O-CA 3.28Å; I528-S531 PolarHBondContact O-N 3.42Å; I528-S531 PolarHBondContact O-OG 3.34Å; I528-S531 VanDerWaalsContact O-OG 3.13Å; I528-D532 PolarHBondContact O-N 3.4Å |
| 529 | S | 33.8 | Very low | 39.4 | Very low | 82.5 Ų | 82.5 | 118.6 Ų | 118.6 | 58% | 0.577 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -108.1 | -127.9 | 170.2 | -151.5 | 0 | 0 | 0 | 0 | 113.3 | D525 D526 | D525-S529 PolarHBondContact O-N 3.45Å; D526-S529 PolarHBondContact O-N 2.79Å |
| 530 | L | 32.7 | Very low | 38.1 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -7 | 59.8 | 178.5 | -77.3 | 127.3 | 0 | 0 | 0 | 114.8 | D526 I528 R534 | D526-L530 WeakPolarHBondContact O-CB 3.22Å; D526-L530 PolarHBondContact O-N 2.82Å; I528-L530 VanDerWaalsContact C-N 3.31Å; I528-L530 PolarHBondContact O-N 3.02Å; L530-R534 WeakPolarHBondContact O-CG 3.43Å; L530-R534 PolarHBondContact O-N 3.2Å |
| 531 | S | 33.5 | Very low | 37.1 | Very low | 74 Ų | 74 | 125.7 Ų | 125.7 | 52% | 0.517 | 63% | 0.626 | S | S | . | * | H | α-helix | -111.6 | -120.3 | 104 | 66.6 | 0 | 0 | 0 | 0 | 114 | H527 I528 Q533 R534 K535 | H527-S531 WeakPolarHBondContact O-CB 3.25Å; H527-S531 PolarHBondContact O-N 3.27Å; H527-S531 PolarHBondContact O-OG 3.37Å; I528-S531 WeakPolarHBondContact O-CA 3.28Å; I528-S531 PolarHBondContact O-N 3.42Å; I528-S531 PolarHBondContact O-OG 3.34Å; I528-S531 VanDerWaalsContact O-OG 3.13Å; S531-Q533 VanDerWaalsContact C-N 3.31Å; S531-R534 PolarHBondContact O-N 3.08Å; S531-K535 WeakPolarHBondContact O-CB 3.45Å; S531-K535 VanDerWaalsContact O-CG 3.3Å; S531-K535 WeakPolarHBondContact O-CG 3.34Å; S531-K535 PolarHBondContact O-N 3.39Å | |
| 532 | D | 35.2 | Very low | 36.3 | Very low | 115.5 Ų | 115.5 | 129 Ų | 129 | 62% | 0.618 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -88.6 | 52.7 | 175.3 | -133.2 | 6.7 | 0 | 0 | 0 | 111.1 | I528 | I528-D532 PolarHBondContact O-N 3.4Å |
| 533 | Q | 35.7 | Very low | 35.4 | Very low | 150.5 Ų | 150.5 | 129.4 Ų | 129.4 | 70% | 0.703 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -116.3 | 40.3 | 160.1 | -93.9 | 177.1 | 50.5 | 0 | 0 | 113.7 | S531 | S531-Q533 VanDerWaalsContact C-N 3.31Å |
| 534 | R | 30.8 | Very low | 34.9 | Very low | 191 Ų | 191 | 130 Ų | 130 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -19.1 | 54.7 | 150.8 | -68.2 | -178.1 | -170.3 | -177 | 2.1 | 116.5 | L530 S531 H536 | L530-R534 WeakPolarHBondContact O-CG 3.43Å; L530-R534 PolarHBondContact O-N 3.2Å; S531-R534 PolarHBondContact O-N 3.08Å; R534-H536 PolarHBondContact O-N 3.05Å |
| 535 | K | 32.3 | Very low | 34.4 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | -128.1 | 76.2 | 102.6 | -101.3 | 176.9 | 172.7 | -163.3 | 0 | 112.7 | S531 | S531-K535 WeakPolarHBondContact O-CB 3.45Å; S531-K535 VanDerWaalsContact O-CG 3.3Å; S531-K535 WeakPolarHBondContact O-CG 3.34Å; S531-K535 PolarHBondContact O-N 3.39Å | |
| 536 | H | 33.7 | Very low | 33.8 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -13.4 | 74.8 | 172 | -90.9 | -95.5 | 0 | 0 | 0 | 115.5 | R534 | R534-H536 PolarHBondContact O-N 3.05Š|
| 537 | E | 34.6 | Very low | 33.6 | Very low | 161.5 Ų | 161.5 | 131 Ų | 131 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | -126.9 | 60.8 | -91.2 | -91.9 | 171.1 | 174.6 | 0 | 0 | 111 | S539 | E537-S539 PolarHBondContact O-N 3.48Š| |
| 538 | E | 29.9 | Very low | 33.3 | Very low | 177.5 Ų | 177.5 | 130.2 Ų | 130.2 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -19.2 | 86.5 | 143.7 | -163.2 | 165.6 | -162.5 | 0 | 0 | 114.3 | ||
| 539 | S | 32.7 | Very low | 33.1 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | S | Bend | -163.8 | 100.9 | 109.2 | 46.2 | 0 | 0 | 0 | 0 | 115.8 | E537 | E537-S539 PolarHBondContact O-N 3.48Š| |
| 540 | K | 33.9 | Very low | 33 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | 127.2 | 131.5 | 151 | -88.6 | 168.1 | 175.5 | 179.8 | 0 | 116 | ||||
| 541 | D | 35.8 | Very low | 32.9 | Very low | 141.5 Ų | 141.5 | 136 Ų | 136 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | -170.1 | 138 | 56.3 | -99.2 | -17.2 | 0 | 0 | 0 | 107.3 | |||||
| 542 | T | 34 | Very low | 32.7 | Very low | 142.5 Ų | 142.5 | 136 Ų | 136 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | -159.8 | 141.3 | -97.9 | -6.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 543 | G | 31.1 | Very low | 32.6 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | 142.8 | 73.6 | 83 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 544 | G | 33.1 | Very low | 32.4 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | 174 | 115.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 545 | N | 32.6 | Very low | 32.3 | Very low | 151.5 Ų | 151.5 | 136.1 Ų | 136.1 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | 116.6 | 131.7 | 75.1 | -111.3 | 10.5 | 0 | 0 | 0 | 115.1 | |||||
| 546 | S | 31.4 | Very low | 32.2 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | 49.7 | 119.9 | 113.1 | 70.5 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 547 | D | 35.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | -165.9 | 170.4 | 85.7 | -128.8 | -4.9 | 0 | 0 | 0 | 109.2 | |||||
| 548 | N | 30.8 | Very low | 31.8 | Very low | 123.5 Ų | 123.5 | 134.4 Ų | 134.4 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | -131.2 | -178.3 | -82.2 | -105.9 | -61.4 | 0 | 0 | 0 | 111.7 | |||||
| 549 | I | 32.6 | Very low | 31.7 | Very low | 140.5 Ų | 140.5 | 130.6 Ų | 130.6 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | 71.5 | 107.9 | 159.2 | -63.3 | 160.4 | 0 | 0 | 0 | 115.9 | ||||
| 550 | Q | 29.8 | Very low | 31.4 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | cis | 116.8 | 132 | 36.7 | -91.4 | -172.2 | 24 | 0 | 0 | 112.3 | ||||
| 551 | L | 30.7 | Very low | 31.2 | Very low | 152.5 Ų | 152.5 | 130.3 Ų | 130.3 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 115.9 | 148.4 | 136 | -80.5 | 173.2 | 0 | 0 | 0 | 113.3 | ||||
| 552 | S | 30.3 | Very low | 30.8 | Very low | 73.5 Ų | 73.5 | 130.6 Ų | 130.6 | 51% | 0.514 | 74% | 0.74 | S | S | . | * | cis | 178.8 | 124.9 | -10.2 | 148.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 553 | K | 33.2 | Very low | 30.5 | Very low | 173.5 Ų | 173.5 | 132.2 Ų | 132.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 58.6 | 129.5 | 145.6 | -57.1 | 173.4 | -164.1 | 136 | 0 | 117.4 | ||||
| 554 | K | 31.4 | Very low | 30.3 | Very low | 189.5 Ų | 189.5 | 134.5 Ų | 134.5 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | -151.7 | 132.9 | 50.4 | -105.6 | 169.1 | -179.8 | -174.1 | 0 | 105.3 | |||||
| 555 | S | 29.4 | Very low | 30.1 | Very low | 96.5 Ų | 96.5 | 136 Ų | 136 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | 55.5 | 117.5 | 69.5 | -89.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 556 | T | 30.3 | Very low | 30 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | cis | 132.9 | 139 | 40.6 | -93.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 557 | Q | 29.9 | Very low | 30 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | 74.2 | 137.5 | 166.1 | -57.3 | 173 | 2.6 | 0 | 0 | 115.7 | V559 | Q557-V559 HydrophobicContact CB-CG2 3.93Å; Q557-V559 HydrophobicContact CG-CG2 4.09Å | ||
| 558 | I | 29.3 | Very low | 29.5 | Very low | 155.5 Ų | 155.5 | 140.3 Ų | 140.3 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | -143.8 | 115.8 | 72 | -79.6 | 164.7 | 0 | 0 | 0 | 106.7 | |||||
| 559 | V | 27.3 | Very low | 29.4 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | 61.1 | 101.6 | 77.3 | -170.3 | 0 | 0 | 0 | 0 | 114.5 | Q557 | Q557-V559 HydrophobicContact CB-CG2 3.93Å; Q557-V559 HydrophobicContact CG-CG2 4.09Å | |||
| 560 | D | 27.3 | Very low | 29.2 | Very low | 146.5 Ų | 146.5 | 137.5 Ų | 137.5 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | 51.8 | 113.4 | 117.2 | -55.5 | -36.7 | 0 | 0 | 0 | 117.9 | |||||
| 561 | T | 28.4 | Very low | 29.1 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 72% | 0.72 | S | S | * | * | trans | -164 | 126.7 | 134.2 | -37.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 562 | L | 28.8 | Very low | 28.9 | Very low | 146.5 Ų | 146.5 | 136.5 Ų | 136.5 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | -55.1 | 137.4 | 85.1 | -55.9 | 167.1 | 0 | 0 | 0 | 116 | |||||
| 563 | Q | 27.3 | Very low | 28.8 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | -127.4 | 133.1 | 88.7 | -117.5 | 166.7 | -27.7 | 0 | 0 | 111.5 | |||||
| 564 | D | 27.7 | Very low | 28.5 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -104.6 | 136 | 164.7 | -80.5 | -52.8 | 0 | 0 | 0 | 112.1 | ||||
| 565 | S | 28.9 | Very low | 28.4 | Very low | 104.5 Ų | 104.5 | 130.7 Ų | 130.7 | 73% | 0.731 | 72% | 0.722 | S | S | * | * | cis | -167.3 | 148.9 | 49.6 | -109.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 566 | S | 30.4 | Very low | 28.4 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | 20.9 | 150 | 114.8 | -162.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 567 | I | 29.7 | Very low | 28.3 | Very low | 157.5 Ų | 157.5 | 131.9 Ų | 131.9 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | 154.4 | 108.4 | 122.3 | -54.2 | -177.6 | 0 | 0 | 0 | 113.5 | |||||
| 568 | R | 27 | Very low | 28.2 | Very low | 212.5 Ų | 212.5 | 133.3 Ų | 133.3 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | 166.2 | 143.7 | 130.7 | -154.2 | 177 | -176.7 | -164 | 3.1 | 110 | Y570 | R568-Y570 HydrophobicContact CG-CE2 4.35Š| ||
| 569 | G | 27.6 | Very low | 28.2 | Very low | 52.5 Ų | 52.5 | 131.6 Ų | 131.6 | 54% | 0.541 | 73% | 0.729 | S | S | . | * | trans | 84.6 | 128.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 570 | Y | 27.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -145.1 | 143.1 | 24.5 | -72.2 | -86.4 | 0 | 0 | 0 | 109.2 | R568 A734 T735 | R568-Y570 HydrophobicContact CG-CE2 4.35Å; Y570-A734 VanDerWaalsContact CE1-O 3.22Å; Y570-A734 WeakPolarHBondContact CE1-O 2.88Å; Y570-T735 WeakPolarHBondContact CD1-O 3.27Å; Y570-T735 WeakPolarHBondContact CE1-OG1 3.38Å; Y570-T735 PolarHBondContact OH-OG1 3.49Å |
| 571 | L | 27.8 | Very low | 28.2 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | cis | 136.8 | 146.4 | 35.3 | -85.2 | 163.7 | 0 | 0 | 0 | 112.4 | ||||
| 572 | F | 27.7 | Very low | 28 | Very low | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | 22.9 | 128.3 | 162.6 | -61.5 | -78.6 | 0 | 0 | 0 | 116.8 | ||||
| 573 | S | 27.5 | Very low | 28 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | 90.4 | 155.9 | 65.7 | 143.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 574 | S | 26.4 | Very low | 28.1 | Very low | 92.5 Ų | 92.5 | 131.9 Ų | 131.9 | 65% | 0.647 | 74% | 0.737 | S | S | * | * | cis | -150.9 | 162.5 | 24.1 | -44.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 575 | S | 29.4 | Very low | 28.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -114.2 | 118.2 | 150.2 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 576 | P | 30.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | -103.8 | 132.4 | 153.5 | 34.1 | -29.1 | 0 | 0 | 0 | 110.9 | ||||
| 577 | S | 27.9 | Very low | 28.5 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -92.8 | 125.1 | 166 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 578 | F | 28 | Very low | 28.5 | Very low | 193.5 Ų | 193.5 | 133.2 Ų | 133.2 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | trans | 133.6 | 134.2 | 159.7 | -101 | -100 | 0 | 0 | 0 | 110.6 | ||||
| 579 | D | 28.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | cis | 140.7 | 157.3 | 42.5 | -150.6 | -6.7 | 0 | 0 | 0 | 113.3 | ||||
| 580 | Q | 26.9 | Very low | 28.5 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -4.7 | 144.3 | -175.5 | -75.6 | 153 | 62.3 | 0 | 0 | 120.6 | ||||
| 581 | G | 27.4 | Very low | 28.6 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 157.3 | 91.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 582 | S | 25.4 | Very low | 28.7 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | 34.5 | 131.1 | 123.3 | 59.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 583 | E | 29.3 | Very low | 29 | Very low | 173.5 Ų | 173.5 | 126.2 Ų | 126.2 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | 77.5 | 112.6 | 121.2 | -63.9 | -145.2 | 114.3 | 0 | 0 | 118.2 | |||||
| 584 | Q | 28.6 | Very low | 29 | Very low | 169 Ų | 169 | 125.7 Ų | 125.7 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | 139.3 | 128.2 | 127.5 | -92.8 | 176.9 | 16.7 | 0 | 0 | 117.7 | |||||
| 585 | L | 34.4 | Very low | 29.2 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | -71.1 | 164.2 | 160.9 | -85.7 | 86.5 | 0 | 0 | 0 | 111.5 | D587 | L585-D587 HydrophobicContact CB-CB 4.21Å; L585-D587 HydrophobicContact CD2-CB 4.28Å | ||
| 586 | P | 32 | Very low | 29.2 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | -134 | 169.8 | 66.9 | 36.8 | -20.2 | 0 | 0 | 0 | 112.8 | |||||
| 587 | D | 30.1 | Very low | 29.2 | Very low | 122.5 Ų | 122.5 | 129.9 Ų | 129.9 | 66% | 0.655 | 71% | 0.711 | S | S | * | * | cis | 141 | 178.1 | 23.2 | -153.5 | 12.8 | 0 | 0 | 0 | 116.3 | L585 K956 | L585-D587 HydrophobicContact CB-CB 4.21Å; L585-D587 HydrophobicContact CD2-CB 4.28Å; D587-K956 PolarHBondContact O-NZ 2.89Å | ||
| 588 | L | 27.9 | Very low | 29.4 | Very low | 132 Ų | 132 | 132 Ų | 132 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | trans | 4.5 | 110.2 | 174.7 | -63.8 | 173.6 | 0 | 0 | 0 | 119.6 | K956 | L588-K956 WeakPolarHBondContact O-CE 3.46Å; L588-K956 PolarHBondContact O-NZ 2.8Å | ||
| 589 | S | 28.4 | Very low | 29.4 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 57% | 0.566 | 70% | 0.698 | S | S | * | * | 83.1 | 161.3 | 116 | 63.8 | 0 | 0 | 0 | 0 | 123.2 | K956 S957 | S589-K956 VanDerWaalsContact N-CE 3.31Å; S589-S957 WeakPolarHBondContact CA-OG 3.4Å; S589-S957 WeakPolarHBondContact CB-OG 3.27Å | |||
| 590 | S | 27.9 | Very low | 29.4 | Very low | 79.5 Ų | 79.5 | 128.9 Ų | 128.9 | 56% | 0.556 | 70% | 0.697 | S | S | * | * | trans | 85.2 | 120.5 | 171.4 | -148.4 | 0 | 0 | 0 | 0 | 115.9 | V955 S957 N958 | S590-V955 WeakPolarHBondContact O-CG1 3.35Å; S590-S957 PolarHBondContact N-OG 2.84Å; S590-N958 PolarHBondContact N-OD1 2.93Å | ||
| 591 | L | 28.6 | Very low | 29.6 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | cis | 147 | 133.3 | 38.5 | -64.4 | 158.2 | 0 | 0 | 0 | 111.2 | ||||
| 592 | K | 29.6 | Very low | 29.5 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | cis | 132.2 | 179.6 | 34.1 | -125.5 | -170.5 | 175.3 | 171.9 | 0 | 114.6 | E959 | K592-E959 VanDerWaalsContact CE-OE1 3.26Å; K592-E959 WeakPolarHBondContact CE-OE1 3.2Å; K592-E959 WeakPolarHBondContact CE-OE2 3.45Å; K592-E959 IonicContact NZ-OE1 3.9Å; K592-E959 PolarHBondContact NZ-OE1 2.88Å; K592-E959 IonicContact NZ-OE2 2.88Å; K592-E959 PolarHBondContact NZ-OE2 3.31Å | ||
| 593 | P | 34.7 | Very low | 29.7 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | -116.7 | -170.7 | -145.7 | 45.1 | -33.6 | 0 | 0 | 0 | 116 | ||||
| 594 | S | 27.6 | Very low | 29.6 | Very low | 89.5 Ų | 89.5 | 130.5 Ų | 130.5 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | trans | 141.5 | 155.7 | 149.4 | -115.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 595 | E | 30.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | 132.9 | 153.9 | 79 | -102.1 | 143.3 | -122.6 | 0 | 0 | 116.7 | |||||
| 596 | H | 30.9 | Very low | 29.1 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | 134.8 | 149.5 | 84.3 | -98.6 | -10.6 | 0 | 0 | 0 | 116.3 | |||||
| 597 | Q | 30.4 | Very low | 28.8 | Very low | 132.5 Ų | 132.5 | 132.6 Ų | 132.6 | 62% | 0.619 | 69% | 0.688 | S | S | * | * | 132.6 | 143 | 71.4 | -88.9 | 172.2 | 36.6 | 0 | 0 | 115.1 | |||||
| 598 | Q | 30.3 | Very low | 28.6 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 72% | 0.715 | 68% | 0.684 | S | S | * | * | 128.9 | 146.5 | 74 | -91.6 | 171.3 | -3.4 | 0 | 0 | 115.1 | |||||
| 599 | N | 28.4 | Very low | 28.7 | Very low | 116.5 Ų | 116.5 | 132.9 Ų | 132.9 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | 132.9 | 153.3 | 72.1 | -94.7 | 26.9 | 0 | 0 | 0 | 115.6 | |||||
| 600 | E | 29.7 | Very low | 28.5 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | 126.7 | 153 | 63.9 | -94.4 | 170.8 | 147 | 0 | 0 | 116.9 | |||||
| 601 | Y | 29.1 | Very low | 28.6 | Very low | 197.333 Ų | 197.333 | 139 Ų | 139 | 77% | 0.774 | 70% | 0.704 | S | S | * | * | trans | -127.6 | 134.1 | 139.1 | -82.2 | -74.1 | 0 | 0 | 0 | 114.4 | ||||
| 602 | S | 27.2 | Very low | 28.5 | Very low | 111.667 Ų | 111.667 | 138.4 Ų | 138.4 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | trans | 56.8 | 149 | 133 | -64.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 603 | I | 28.5 | Very low | 28.4 | Very low | 156.333 Ų | 156.333 | 135.8 Ų | 135.8 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | trans | -104.6 | 143.8 | 162.4 | -68.1 | 162.8 | 0 | 0 | 0 | 112.4 | ||||
| 604 | S | 26.7 | Very low | 28.2 | Very low | 104.333 Ų | 104.333 | 137.8 Ų | 137.8 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | -144.7 | 136.6 | 160.7 | -60.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 605 | R | 27.1 | Very low | 28.1 | Very low | 232.333 Ų | 232.333 | 137.4 Ų | 137.4 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | trans | 96.8 | 130.1 | 133.2 | -83.7 | 178.4 | -176.3 | -154.1 | -0.4 | 119.1 | ||||
| 606 | S | 26.3 | Very low | 28 | Very low | 95.3333 Ų | 95.3333 | 135.8 Ų | 135.8 | 67% | 0.667 | 70% | 0.704 | S | S | * | * | trans | -147.1 | 132.3 | 136.7 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | N1216 | S606-N1216 WeakPolarHBondContact CA-ND2 3.38Å; S606-N1216 WeakPolarHBondContact CB-ND2 3.43Å | ||
| 607 | F | 26 | Very low | 27.9 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | trans | -74.4 | 149.8 | 164.5 | -73.2 | -102.7 | 0 | 0 | 0 | 114.1 | R1215 N1216 K1217 | F607-R1215 HydrophobicContact CB-CG 4.1Å; F607-R1215 VanDerWaalsContact O-CD 3.24Å; F607-R1215 WeakPolarHBondContact O-CD 3.33Å; F607-R1215 WeakPolarHBondContact O-CG 3.47Å; F607-R1215 PolarHBondContact O-NE 2.94Å; F607-N1216 HydrophobicContact CB-CB 3.71Å; F607-N1216 VanDerWaalsContact CB-CG 3.44Å; F607-N1216 HydrophobicContact CD1-CB 4.23Å; F607-N1216 WeakPolarHBondContact CD1-OD1 3.24Å; F607-N1216 HydrophobicContact CD2-CB 4.15Å; F607-N1216 WeakPolarHBondContact CD2-ND2 3.04Å; F607-N1216 WeakPolarHBondContact CD2-OD1 3.32Å; F607-N1216 WeakPolarHBondContact CE1-OD1 3.38Å; F607-N1216 VanDerWaalsContact CE2-CG 3.46Å; F607-N1216 WeakPolarHBondContact CE2-OD1 3.41Å; F607-N1216 HydrophobicContact CG-CB 3.76Å; F607-N1216 WeakPolarHBondContact CG-ND2 3.33Å; F607-N1216 WeakPolarHBondContact CG-OD1 3.34Å; F607-N1216 WeakPolarHBondContact CZ-OD1 3.34Å; F607-N1216 PolarHBondContact N-ND2 3.47Å; F607-K1217 HydrophobicContact CD1-CB 4.25Å; F607-K1217 HydrophobicContact CD1-CG 4.13Å; F607-K1217 VanDerWaalsContact CD1-N 3.33Å; F607-K1217 HydrophobicContact CE1-CB 3.34Å; F607-K1217 HydrophobicContact CE1-CD 3.99Å; F607-K1217 HydrophobicContact CE1-CG 3.53Å; F607-K1217 HydrophobicContact CZ-CB 3.79Å; F607-K1217 HydrophobicContact CZ-CG 4.45Å; F607-K1217 WeakPolarHBondContact CZ-O 3.33Å | ||
| 608 | N | 24.9 | Very low | 27.9 | Very low | 107.333 Ų | 107.333 | 134.2 Ų | 134.2 | 57% | 0.574 | 71% | 0.711 | S | S | * | * | -164.6 | 142.4 | 112.5 | -142.5 | -9.2 | 0 | 0 | 0 | 110 | R1214 R1215 | N608-R1214 VanDerWaalsContact ND2-C 3.27Å; N608-R1214 WeakPolarHBondContact ND2-CB 3.45Å; N608-R1214 WeakPolarHBondContact ND2-CD 3.35Å; N608-R1214 WeakPolarHBondContact ND2-CG 3.35Å; N608-R1215 HydrophobicContact CB-CG 4.06Å; N608-R1215 VanDerWaalsContact CG-CG 3.48Å; N608-R1215 WeakPolarHBondContact ND2-CA 3.29Å; N608-R1215 WeakPolarHBondContact ND2-CD 3.5Å; N608-R1215 WeakPolarHBondContact ND2-CG 2.87Å; N608-R1215 PolarHBondContact ND2-N 2.92Å; N608-R1215 PolarHBondContact ND2-NE 2.83Å; N608-R1215 VanDerWaalsContact ND2-NE 3.1Å; N608-R1215 PolarHBondContact OD1-N 3.4Å | |||
| 609 | L | 29.6 | Very low | 28 | Very low | 153.333 Ų | 153.333 | 133.1 Ų | 133.1 | 80% | 0.803 | 71% | 0.71 | S | S | * | * | trans | -124.2 | 134.6 | 167.4 | -114.2 | 132.2 | 0 | 0 | 0 | 112.7 | ||||
| 610 | N | 26.1 | Very low | 28.2 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | trans | -56.5 | 140.6 | 170.9 | -66.4 | -18.7 | 0 | 0 | 0 | 111.9 | R1214 | N610-R1214 PolarHBondContact ND2-NE 3.48Å; N610-R1214 VanDerWaalsContact ND2-NE 3.2Å; N610-R1214 PolarHBondContact ND2-NH2 2.94Å; N610-R1214 PolarHBondContact OD1-NE 3.44Å | ||
| 611 | H | 28.3 | Very low | 28.5 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | -70.1 | 133.9 | 123.8 | -84.4 | -86 | 0 | 0 | 0 | 113.4 | |||||
| 612 | T | 27.2 | Very low | 28.3 | Very low | 126.667 Ų | 126.667 | 129.5 Ų | 129.5 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | trans | -72.9 | 139.3 | 157.9 | 14.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 613 | S | 27.8 | Very low | 28.5 | Very low | 99.6667 Ų | 99.6667 | 134.8 Ų | 134.8 | 70% | 0.697 | 72% | 0.719 | S | S | * | * | trans | -175.7 | 149.5 | 132 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 614 | I | 29.4 | Very low | 28.3 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | trans | 115.2 | 121.6 | 153.9 | -61.5 | 171.4 | 0 | 0 | 0 | 112.9 | ||||
| 615 | S | 26.2 | Very low | 28.3 | Very low | 80.3333 Ų | 80.3333 | 134.8 Ų | 134.8 | 56% | 0.562 | 72% | 0.72 | S | S | * | * | 96.1 | 140.9 | 94.6 | 71.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 616 | D | 28.3 | Very low | 28.3 | Very low | 116.667 Ų | 116.667 | 128.6 Ų | 128.6 | 62% | 0.624 | 71% | 0.712 | S | S | * | * | 96.6 | 145.1 | 102.6 | -71.8 | -37.7 | 0 | 0 | 0 | 120.1 | |||||
| 617 | S | 28 | Very low | 28.3 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | trans | 71.3 | 125.8 | 143.4 | 67 | 0 | 0 | 0 | 0 | 118.1 | N619 | S617-N619 PolarHBondContact O-N 3.4Š| ||
| 618 | D | 31.5 | Very low | 28.4 | Very low | 145.333 Ų | 145.333 | 128.5 Ų | 128.5 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -161.3 | 124.4 | 131.3 | -92.3 | -17.2 | 0 | 0 | 0 | 116.7 | ||||
| 619 | N | 32.6 | Very low | 28.5 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | -47.4 | 131.4 | 165.1 | -73.8 | -50.4 | 0 | 0 | 0 | 115.7 | S617 P621 | S617-N619 PolarHBondContact O-N 3.4Å; N619-P621 WeakPolarHBondContact O-CD 3.45Å | ||
| 620 | H | 31.8 | Very low | 28.5 | Very low | 173.333 Ų | 173.333 | 130.2 Ų | 130.2 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | 53.8 | 146 | 125.7 | -79.6 | -59.1 | 0 | 0 | 0 | 114.6 | |||||
| 621 | P | 35.6 | Very low | 28.6 | Very low | 92.6667 Ų | 92.6667 | 131.7 Ų | 131.7 | 60% | 0.602 | 74% | 0.738 | S | S | * | * | cis | -105.5 | 179.4 | -48.9 | 34.3 | -23.5 | 0 | 0 | 0 | 110.4 | N619 W623 | N619-P621 WeakPolarHBondContact O-CD 3.45Å; P621-W623 VanDerWaalsContact O-CD1 3.27Å; P621-W623 PolarHBondContact O-N 3.14Å | ||
| 622 | S | 26.4 | Very low | 28.6 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -91.9 | 129.6 | 171.2 | 18.4 | 0 | 0 | 0 | 0 | 109.6 | S624 | S622-S624 PolarHBondContact O-N 3.08Š| ||
| 623 | W | 30.2 | Very low | 28.6 | Very low | 222.333 Ų | 222.333 | 130 Ų | 130 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | trans | -120.6 | 123.4 | 175.6 | -78.4 | 10.5 | 0 | 0 | 0 | 108.5 | P621 L625 | P621-W623 VanDerWaalsContact O-CD1 3.27Å; P621-W623 PolarHBondContact O-N 3.14Å; W623-L625 HydrophobicContact CE3-CD1 4.28Å; W623-L625 HydrophobicContact CZ3-CD1 4.39Å; W623-L625 PolarHBondContact O-N 3.41Å | ||
| 624 | S | 25.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -100.1 | 118.3 | 141.7 | 38.3 | 0 | 0 | 0 | 0 | 111.4 | S622 S626 | S622-S624 PolarHBondContact O-N 3.08Å; S624-S626 PolarHBondContact O-N 3.32Å | ||
| 625 | L | 27.1 | Very low | 28.6 | Very low | 158.333 Ų | 158.333 | 131 Ų | 131 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | -104.9 | 127.3 | 165.1 | -63.7 | 173 | 0 | 0 | 0 | 111.6 | W623 L627 | W623-L625 HydrophobicContact CE3-CD1 4.28Å; W623-L625 HydrophobicContact CZ3-CD1 4.39Å; W623-L625 PolarHBondContact O-N 3.41Å; L625-L627 PolarHBondContact O-N 3.24Å; L625-L627 VanDerWaalsContact O-N 3.14Å | ||
| 626 | S | 26.3 | Very low | 29 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -167 | 115.6 | 21.1 | -137.5 | 0 | 0 | 0 | 0 | 111.7 | S624 A628 | S624-S626 PolarHBondContact O-N 3.32Å; S626-A628 PolarHBondContact O-N 2.94Å; S626-A628 VanDerWaalsContact O-N 3.09Å | ||
| 627 | L | 26.4 | Very low | 29.1 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -161.3 | 128.5 | 152.6 | -132.5 | 80 | 0 | 0 | 0 | 111.9 | L625 S629 | L625-L627 PolarHBondContact O-N 3.24Å; L625-L627 VanDerWaalsContact O-N 3.14Å; L627-S629 PolarHBondContact O-N 2.95Å | ||
| 628 | A | 27.5 | Very low | 29 | Very low | 86.3333 Ų | 86.3333 | 135.3 Ų | 135.3 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 77.3 | 85.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S626 K630 | S626-A628 PolarHBondContact O-N 2.94Å; S626-A628 VanDerWaalsContact O-N 3.09Å; A628-K630 PolarHBondContact O-N 3.22Å | ||
| 629 | S | 27.8 | Very low | 29 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -68 | 104.2 | 146.5 | -20.8 | 0 | 0 | 0 | 0 | 112.2 | L627 I631 | L627-S629 PolarHBondContact O-N 2.95Å; S629-I631 PolarHBondContact O-N 3.05Å | ||
| 630 | K | 28.9 | Very low | 28.8 | Very low | 188.667 Ų | 188.667 | 137 Ų | 137 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | trans | -154.5 | 124.6 | 130.1 | -83.7 | 169.3 | -179.7 | -179.5 | 0 | 109.9 | A628 L632 | A628-K630 PolarHBondContact O-N 3.22Å; K630-L632 PolarHBondContact O-N 2.92Å | ||
| 631 | I | 27.8 | Very low | 28.7 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | -130.6 | 127 | 80.1 | -86.3 | 163.8 | 0 | 0 | 0 | 110.9 | S629 | S629-I631 PolarHBondContact O-N 3.05Š| |||
| 632 | L | 28.9 | Very low | 28.4 | Very low | 155.667 Ų | 155.667 | 137.2 Ų | 137.2 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | 38.3 | 114.7 | 161.7 | -117.8 | 96.4 | 0 | 0 | 0 | 115.5 | K630 S634 | K630-L632 PolarHBondContact O-N 2.92Å; L632-S634 PolarHBondContact O-N 3.06Å | ||
| 633 | S | 27.2 | Very low | 28.4 | Very low | 103.333 Ų | 103.333 | 140 Ų | 140 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | 32.3 | 115.8 | 129.9 | -156.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 634 | S | 29.2 | Very low | 28.5 | Very low | 105.667 Ų | 105.667 | 138.3 Ų | 138.3 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | trans | -162.9 | 131.6 | 143.3 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | L632 | L632-S634 PolarHBondContact O-N 3.06Š| ||
| 635 | Q | 29 | Very low | 28.7 | Very low | 166.333 Ų | 166.333 | 138.3 Ų | 138.3 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -55.3 | 152.9 | 160.9 | -75.1 | -82.7 | -9.6 | 0 | 0 | 112 | ||||
| 636 | P | 34.4 | Very low | 28.9 | Very low | 108.333 Ų | 108.333 | 139 Ų | 139 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | trans | -123.1 | 175.6 | 175.4 | 39.6 | -23.2 | 0 | 0 | 0 | 113.1 | ||||
| 637 | E | 28.8 | Very low | 29.4 | Very low | 169.667 Ų | 169.667 | 139.6 Ų | 139.6 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | 59.3 | 124.9 | 164.6 | -74.9 | -177.2 | 163 | 0 | 0 | 116.8 | ||||
| 638 | S | 26.8 | Very low | 30.2 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | 84.2 | 141.2 | 119.5 | 152.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 639 | I | 31.3 | Very low | 30.7 | Very low | 160.667 Ų | 160.667 | 139.3 Ų | 139.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 178.9 | 122.6 | 141.5 | -68.8 | 167.9 | 0 | 0 | 0 | 109.8 | ||||
| 640 | H | 28.6 | Very low | 30.9 | Very low | 150.667 Ų | 150.667 | 143.2 Ų | 143.2 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | -84.9 | 130.7 | 84.8 | -135.4 | -114.6 | 0 | 0 | 0 | 111.3 | F642 | H640-F642 AromaticContact CE1-CD2 3.54Å; H640-F642 VanDerWaalsContact CE1-CD2 3.4Å; H640-F642 WeakPolarHBondContact CE1-CD2 3.4Å; H640-F642 AromaticContact CE1-CE2 3.44Å; H640-F642 WeakPolarHBondContact CE1-CE2 3.41Å; H640-F642 AromaticContact ND1-CD2 3.62Å; H640-F642 VanDerWaalsContact ND1-CD2 3.34Å; H640-F642 WeakPolarHBondContact ND1-CD2 3.36Å; H640-F642 AromaticContact ND1-CE2 3.33Å; H640-F642 VanDerWaalsContact ND1-CE2 3.33Å; H640-F642 WeakPolarHBondContact ND1-CE2 3.4Å; H640-F642 AromaticContact NE2-CD2 3.88Å; H640-F642 AromaticContact NE2-CE2 3.61Å | |||
| 641 | C | 29.3 | Very low | 31.4 | Very low | 108.333 Ų | 108.333 | 140.1 Ų | 140.1 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | -144.2 | 130.2 | 128.1 | -118.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 642 | F | 29.1 | Very low | 31.6 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -28.8 | 136 | 160.1 | -76.8 | -93.1 | 0 | 0 | 0 | 111.8 | H640 | H640-F642 AromaticContact CE1-CD2 3.54Å; H640-F642 VanDerWaalsContact CE1-CD2 3.4Å; H640-F642 WeakPolarHBondContact CE1-CD2 3.4Å; H640-F642 AromaticContact CE1-CE2 3.44Å; H640-F642 WeakPolarHBondContact CE1-CE2 3.41Å; H640-F642 AromaticContact ND1-CD2 3.62Å; H640-F642 VanDerWaalsContact ND1-CD2 3.34Å; H640-F642 WeakPolarHBondContact ND1-CD2 3.36Å; H640-F642 AromaticContact ND1-CE2 3.33Å; H640-F642 VanDerWaalsContact ND1-CE2 3.33Å; H640-F642 WeakPolarHBondContact ND1-CE2 3.4Å; H640-F642 AromaticContact NE2-CD2 3.88Å; H640-F642 AromaticContact NE2-CE2 3.61Å | ||
| 643 | E | 26.7 | Very low | 31.8 | Very low | 165.667 Ų | 165.667 | 144.3 Ų | 144.3 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | cis | 168.2 | 127.5 | 47.3 | -176.7 | 168.6 | -165.8 | 0 | 0 | 109.9 | ||||
| 644 | F | 32.4 | Very low | 32 | Very low | 185 Ų | 185 | 145 Ų | 145 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -145.6 | 129.1 | 166.4 | -102.1 | -91.7 | 0 | 0 | 0 | 109.7 | Q646 | F644-Q646 HydrophobicContact CD1-CG 3.78Å; F644-Q646 HydrophobicContact CE1-CG 4.37Å | ||
| 645 | S | 29 | Very low | 32.1 | Very low | 102.667 Ų | 102.667 | 144.5 Ų | 144.5 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -137.8 | 125.2 | 135.4 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 646 | Q | 32.1 | Very low | 32.5 | Very low | 174.333 Ų | 174.333 | 145.2 Ų | 145.2 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | -151.4 | 141.1 | 168.4 | -86.7 | 179.4 | -9 | 0 | 0 | 114.1 | F644 P648 | F644-Q646 HydrophobicContact CD1-CG 3.78Å; F644-Q646 HydrophobicContact CE1-CG 4.37Å; Q646-P648 WeakPolarHBondContact O-CD 2.99Å | ||
| 647 | P | 36.2 | Very low | 32.2 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 147.6 | -165.6 | 33.4 | -28.7 | 0 | 0 | 0 | 112.6 | ||
| 648 | P | 43.3 | Very low | 32.3 | Very low | 122.333 Ų | 122.333 | 146.1 Ų | 146.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 148.7 | -179 | 31.5 | -33 | 0 | 0 | 0 | 114.5 | Q646 | Q646-P648 WeakPolarHBondContact O-CD 2.99Š|
| 649 | P | 37.4 | Very low | 32.5 | Very low | 121.333 Ų | 121.333 | 146.3 Ų | 146.3 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -101 | 156 | 176.5 | 21.6 | -12.1 | 0 | 0 | 0 | 114.1 | ||
| 650 | K | 33 | Very low | 32.5 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -105 | 146.4 | -172.2 | -79.1 | 174.5 | -179.8 | 176 | 0 | 111 | H652 F1027 | K650-H652 PolarHBondContact O-N 3.36Å; K650-F1027 HydrophobicContact CB-CZ 4.37Å |
| 651 | P | 39.5 | Very low | 32.5 | Very low | 122.333 Ų | 122.333 | 147.4 Ų | 147.4 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 134.5 | 178.2 | 26.3 | -20.8 | 0 | 0 | 0 | 113.1 | ||
| 652 | H | 31.3 | Very low | 32.7 | Very low | 175.333 Ų | 175.333 | 149.7 Ų | 149.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 143.2 | 159.9 | -90.8 | -52.9 | 0 | 0 | 0 | 110.3 | K650 | K650-H652 PolarHBondContact O-N 3.36Š|
| 653 | R | 32.9 | Very low | 32.7 | Very low | 224 Ų | 224 | 150 Ų | 150 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | -163.8 | 133.3 | 118.1 | -162.9 | 174.7 | -179.7 | 155.4 | -0.6 | 111.1 | |||||
| 654 | T | 32.4 | Very low | 33 | Very low | 116.333 Ų | 116.333 | 148.9 Ų | 148.9 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -7.9 | 130.6 | 168.5 | -3.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 655 | S | 30.8 | Very low | 32.7 | Very low | 95.6667 Ų | 95.6667 | 150.4 Ų | 150.4 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | -120.2 | 125.6 | 78.2 | 33.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 656 | Q | 37.6 | Very low | 32.8 | Very low | 182.333 Ų | 182.333 | 153.2 Ų | 153.2 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | -152.9 | 118.1 | 146.3 | -69.6 | -175.4 | -2.8 | 0 | 0 | 111.5 | ||||
| 657 | I | 28.8 | Very low | 32.5 | Very low | 144.667 Ų | 144.667 | 154 Ų | 154 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | 31.8 | 126.1 | 87 | -42.9 | 171.3 | 0 | 0 | 0 | 111.3 | T659 | I657-T659 HydrophobicContact CG2-CG2 4.46Š| |||
| 658 | L | 30.1 | Very low | 32 | Very low | 151.667 Ų | 151.667 | 153 Ų | 153 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 165.8 | 136.5 | 135.5 | -96.9 | 123 | 0 | 0 | 0 | 111.7 | ||||
| 659 | T | 30.7 | Very low | 31.2 | Very low | 107.333 Ų | 107.333 | 153.7 Ų | 153.7 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | 176.7 | 145.3 | 104.8 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | I657 | I657-T659 HydrophobicContact CG2-CG2 4.46Š| |||
| 660 | T | 31.8 | Very low | 30.7 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | -177.3 | 126.7 | 117.5 | 34.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 661 | R | 28.3 | Very low | 30.5 | Very low | 207.333 Ų | 207.333 | 152.4 Ų | 152.4 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | 97.2 | 112.2 | 85.6 | -155.3 | -176.2 | 173.7 | 140.2 | 5 | 112.2 | E663 | R661-E663 IonicContact CZ-OE1 2.87Å; R661-E663 VanDerWaalsContact CZ-OE1 3.31Å; R661-E663 IonicContact NE-OE1 3.63Å; R661-E663 PolarHBondContact NE-OE1 2.88Å; R661-E663 IonicContact NH2-OE1 3.86Å; R661-E663 PolarHBondContact NH2-OE1 2.8Å | |||
| 662 | E | 32.6 | Very low | 30 | Very low | 157.333 Ų | 157.333 | 155.3 Ų | 155.3 | 74% | 0.735 | 77% | 0.769 | S | S | * | * | -169.9 | 120.9 | 111 | -101.6 | 146.5 | -170.5 | 0 | 0 | 111.8 | |||||
| 663 | E | 30.6 | Very low | 29.9 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 52.4 | 110.6 | 94.3 | -66.4 | -174.6 | 174.6 | 0 | 0 | 112.4 | R661 | R661-E663 IonicContact CZ-OE1 2.87Å; R661-E663 VanDerWaalsContact CZ-OE1 3.31Å; R661-E663 IonicContact NE-OE1 3.63Å; R661-E663 PolarHBondContact NE-OE1 2.88Å; R661-E663 IonicContact NH2-OE1 3.86Å; R661-E663 PolarHBondContact NH2-OE1 2.8Å | |||
| 664 | D | 31.5 | Very low | 29.7 | Very low | 142.333 Ų | 142.333 | 153.3 Ų | 153.3 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -141.9 | 116.8 | 154.7 | -92 | -19.7 | 0 | 0 | 0 | 111.6 | ||||
| 665 | R | 26.2 | Very low | 29.6 | Very low | 218 Ų | 218 | 155.3 Ų | 155.3 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | 178.1 | 120.5 | 64.6 | -98.7 | -175.6 | 159.1 | 172.8 | -5.9 | 111.9 | |||||
| 666 | L | 31.8 | Very low | 29.5 | Very low | 161.333 Ų | 161.333 | 155.9 Ų | 155.9 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 157.9 | 106.9 | 149.3 | -73.4 | 171 | 0 | 0 | 0 | 109.8 | ||||
| 667 | R | 25.5 | Very low | 29.2 | Very low | 190 Ų | 190 | 155 Ų | 155 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | 38.1 | 127.2 | 89.8 | 176.5 | -146.6 | -152.9 | -176.1 | 0.2 | 111.9 | I1081 N1082 | R667-I1081 HydrophobicContact CG-CD1 4.35Å; R667-I1081 VanDerWaalsContact CZ-CG2 3.5Å; R667-N1082 VanDerWaalsContact NH1-CG 3.3Å; R667-N1082 PolarHBondContact NH1-ND2 3.24Å; R667-N1082 VanDerWaalsContact NH1-ND2 3.13Å; R667-N1082 PolarHBondContact NH1-OD1 3.29Å; R667-N1082 PolarHBondContact NH2-OD1 3.1Å | |||
| 668 | S | 25.5 | Very low | 29.1 | Very low | 93 Ų | 93 | 155 Ų | 155 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | 77.3 | 151.2 | 157.4 | 12.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 669 | T | 27.1 | Very low | 29.2 | Very low | 135.333 Ų | 135.333 | 155 Ų | 155 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | cis | -157.8 | 175.5 | 14 | 40.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 670 | S | 26.8 | Very low | 29.3 | Very low | 104 Ų | 104 | 154.8 Ų | 154.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -134.4 | 135.7 | 163.2 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 671 | E | 29 | Very low | 29.2 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | -136.4 | 138.5 | 120.6 | -76.7 | 171.1 | 164.1 | 0 | 0 | 110.9 | |||||
| 672 | F | 28.2 | Very low | 29.3 | Very low | 183.667 Ų | 183.667 | 151.2 Ų | 151.2 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -145.9 | 126.4 | 153.8 | -142 | -93.4 | 0 | 0 | 0 | 109.9 | R674 | F672-R674 HydrophobicContact CD1-CG 4.19Å; F672-R674 HydrophobicContact CE1-CG 3.71Å | ||
| 673 | E | 30.7 | Very low | 29.3 | Very low | 162.333 Ų | 162.333 | 146.4 Ų | 146.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -61.4 | 135.9 | 170.9 | -97.3 | 178.3 | 153.6 | 0 | 0 | 115.5 | ||||
| 674 | R | 27.7 | Very low | 29.2 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | -50.9 | 136.4 | 150.2 | -62 | 175.2 | -178.7 | 100.1 | -0.9 | 111 | F672 | F672-R674 HydrophobicContact CD1-CG 4.19Å; F672-R674 HydrophobicContact CE1-CG 3.71Å | ||
| 675 | N | 31.2 | Very low | 29.1 | Very low | 159.333 Ų | 159.333 | 147.4 Ų | 147.4 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | -158.9 | 109.5 | 125.1 | -84.6 | -22 | 0 | 0 | 0 | 109.5 | I677 | N675-I677 PolarHBondContact O-N 2.99Š| |||
| 676 | T | 27.4 | Very low | 29.4 | Very low | 107.667 Ų | 107.667 | 143.8 Ų | 143.8 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | trans | -53.8 | 107.7 | 137.6 | -54.9 | 0 | 0 | 0 | 0 | 111 | M678 | T676-M678 HydrophobicContact CG2-CG 4.35Š| ||
| 677 | I | 31.8 | Very low | 29.3 | Very low | 162.667 Ų | 162.667 | 143.7 Ų | 143.7 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | -134.5 | 109.5 | 148.6 | -55 | -179.6 | 0 | 0 | 0 | 104.5 | N675 | N675-I677 PolarHBondContact O-N 2.99Š| ||
| 678 | M | 26.7 | Very low | 29.5 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | 70 | 132.9 | 117.4 | -75.4 | -93.4 | -45.4 | 0 | 0 | 111.3 | T676 | T676-M678 HydrophobicContact CG2-CG 4.35Š| |||
| 679 | E | 31.3 | Very low | 29.7 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | trans | 44.3 | 163.4 | 146.2 | -135.9 | -132.2 | 157.2 | 0 | 0 | 112.5 | S681 | E679-S681 VanDerWaalsContact C-N 3.26Å; E679-S681 PolarHBondContact O-N 3.3Å | ||
| 680 | P | 32.7 | Very low | 29.9 | Very low | 104.333 Ų | 104.333 | 145.2 Ų | 145.2 | 68% | 0.677 | 75% | 0.748 | S | S | * | * | -89.4 | 150.4 | -99.1 | 35.3 | -28.6 | 0 | 0 | 0 | 112.1 | L682 | P680-L682 HydrophobicContact CG-CD1 4.13Å; P680-L682 PolarHBondContact O-N 2.9Å | |||
| 681 | S | 30.3 | Very low | 30 | Very low | 100.667 Ų | 100.667 | 146.2 Ų | 146.2 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | trans | -60.2 | 131 | 163.5 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | E679 G683 | E679-S681 VanDerWaalsContact C-N 3.26Å; E679-S681 PolarHBondContact O-N 3.3Å; S681-G683 VanDerWaalsContact C-N 3.25Å; S681-G683 WeakPolarHBondContact O-CA 3.48Å; S681-G683 PolarHBondContact O-N 3.07Å | ||
| 682 | L | 31 | Very low | 30 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -68.3 | 97.2 | 166.8 | -116.6 | 126.3 | 0 | 0 | 0 | 111.2 | P680 I685 | P680-L682 HydrophobicContact CG-CD1 4.13Å; P680-L682 PolarHBondContact O-N 2.9Å; L682-I685 HydrophobicContact CD2-CD1 4.08Å |
| 683 | G | 31.5 | Very low | 30.1 | Very low | 56.3333 Ų | 56.3333 | 144.5 Ų | 144.5 | 58% | 0.581 | 74% | 0.739 | S | S | * | * | trans | -115.7 | 130.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S681 | S681-G683 VanDerWaalsContact C-N 3.25Å; S681-G683 WeakPolarHBondContact O-CA 3.48Å; S681-G683 PolarHBondContact O-N 3.07Å | ||
| 684 | E | 28.5 | Very low | 30 | Very low | 186.667 Ų | 186.667 | 143.5 Ų | 143.5 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | 77.8 | 102.6 | 170.6 | -60.4 | -171.3 | 141.4 | 0 | 0 | 113.1 | I686 | E684-I686 PolarHBondContact O-N 3.19Š| ||
| 685 | I | 30.8 | Very low | 30 | Very low | 143.333 Ų | 143.333 | 141.4 Ų | 141.4 | 74% | 0.735 | 74% | 0.741 | S | S | * | * | trans | 113.4 | 117.5 | 153.6 | -68.6 | 161.2 | 0 | 0 | 0 | 106.2 | L682 Q687 | L682-I685 HydrophobicContact CD2-CD1 4.08Å; I685-Q687 PolarHBondContact O-N 2.94Å | ||
| 686 | I | 31.8 | Very low | 30 | Very low | 143.333 Ų | 143.333 | 140.6 Ų | 140.6 | 74% | 0.735 | 74% | 0.735 | S | S | * | * | -110.3 | 110.4 | 61.8 | -60.7 | 173.6 | 0 | 0 | 0 | 108.1 | E684 L688 | E684-I686 PolarHBondContact O-N 3.19Å; I686-L688 HydrophobicContact CG2-CB 3.88Å; I686-L688 HydrophobicContact CG2-CD1 4.42Å; I686-L688 HydrophobicContact CG2-CD2 3.87Å; I686-L688 HydrophobicContact CG2-CG 4.06Å; I686-L688 PolarHBondContact O-N 2.86Å | |||
| 687 | Q | 29.3 | Very low | 30.1 | Very low | 159.333 Ų | 159.333 | 142 Ų | 142 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | -57.8 | 103.7 | 136.9 | -167.5 | 74.9 | 20.4 | 0 | 0 | 108.5 | I685 H689 | I685-Q687 PolarHBondContact O-N 2.94Å; Q687-H689 HydrophobicContact CG-CB 4.37Å; Q687-H689 PolarHBondContact O-N 3.24Å | ||
| 688 | L | 30.1 | Very low | 30.2 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | -115.9 | 94.4 | 165.1 | -64.3 | 180 | 0 | 0 | 0 | 111.5 | I686 M690 | I686-L688 HydrophobicContact CG2-CB 3.88Å; I686-L688 HydrophobicContact CG2-CD1 4.42Å; I686-L688 HydrophobicContact CG2-CD2 3.87Å; I686-L688 HydrophobicContact CG2-CG 4.06Å; I686-L688 PolarHBondContact O-N 2.86Å; L688-M690 PolarHBondContact O-N 2.7Å | ||
| 689 | H | 30.9 | Very low | 30.2 | Very low | 153.667 Ų | 153.667 | 140.6 Ų | 140.6 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | -132 | 103.3 | 112.1 | -153.1 | -96.3 | 0 | 0 | 0 | 109.7 | Q687 D691 | Q687-H689 HydrophobicContact CG-CB 4.37Å; Q687-H689 PolarHBondContact O-N 3.24Å; H689-D691 IonicContact CE1-OD1 2.98Å; H689-D691 PolarHBondContact CE1-OD1 3.43Å; H689-D691 IonicContact CE1-OD2 3.55Å; H689-D691 VanDerWaalsContact ND1-CG 3.32Å; H689-D691 IonicContact ND1-OD1 3.87Å; H689-D691 PolarHBondContact ND1-OD1 3.13Å; H689-D691 IonicContact ND1-OD2 3.4Å; H689-D691 PolarHBondContact ND1-OD2 3.25Å; H689-D691 PolarHBondContact O-N 3.22Å | |||
| 690 | M | 30.1 | Very low | 30.1 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | -61.7 | 110.6 | 159.6 | -68.6 | -142.5 | 117.7 | 0 | 0 | 110.4 | L688 R692 | L688-M690 PolarHBondContact O-N 2.7Å; M690-R692 PolarHBondContact O-N 3.48Å | ||
| 691 | D | 29 | Very low | 29.9 | Very low | 126.333 Ų | 126.333 | 139.2 Ų | 139.2 | 68% | 0.676 | 75% | 0.745 | S | S | * | * | 165.7 | 103.6 | 127.4 | -141.7 | -5.4 | 0 | 0 | 0 | 110.9 | H689 S693 | H689-D691 IonicContact CE1-OD1 2.98Å; H689-D691 PolarHBondContact CE1-OD1 3.43Å; H689-D691 IonicContact CE1-OD2 3.55Å; H689-D691 VanDerWaalsContact ND1-CG 3.32Å; H689-D691 IonicContact ND1-OD1 3.87Å; H689-D691 PolarHBondContact ND1-OD1 3.13Å; H689-D691 IonicContact ND1-OD2 3.4Å; H689-D691 PolarHBondContact ND1-OD2 3.25Å; H689-D691 PolarHBondContact O-N 3.22Å; D691-S693 PolarHBondContact O-N 2.95Å; D691-S693 VanDerWaalsContact O-N 3.1Å; D691-S693 PolarHBondContact OD1-OG 2.94Å | |||
| 692 | R | 29.5 | Very low | 29.8 | Very low | 243.333 Ų | 243.333 | 139.2 Ų | 139.2 | 92% | 0.918 | 75% | 0.745 | S | S | * | * | trans | -146.8 | 77.8 | 144.3 | -120.1 | 178.4 | 167.8 | -178.6 | -5 | 112.3 | M690 N694 | M690-R692 PolarHBondContact O-N 3.48Å; R692-N694 PolarHBondContact O-N 3.3Å | ||
| 693 | S | 29.3 | Very low | 29.7 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | trans | -100.4 | 142 | 165.4 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | D691 | D691-S693 PolarHBondContact O-N 2.95Å; D691-S693 VanDerWaalsContact O-N 3.1Å; D691-S693 PolarHBondContact OD1-OG 2.94Å | ||
| 694 | N | 29.5 | Very low | 29.6 | Very low | 140.667 Ų | 140.667 | 139.2 Ų | 139.2 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 151.3 | 124.2 | 143.5 | -65.4 | -31 | 0 | 0 | 0 | 112.3 | R692 I696 | R692-N694 PolarHBondContact O-N 3.3Å; N694-I696 PolarHBondContact O-N 2.9Å | ||
| 695 | L | 28.1 | Very low | 29.7 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | -144.9 | 119.8 | 126.7 | -93.2 | 110 | 0 | 0 | 0 | 111.3 | |||||
| 696 | I | 31.4 | Very low | 29.5 | Very low | 141.333 Ų | 141.333 | 138.7 Ų | 138.7 | 73% | 0.725 | 75% | 0.748 | S | S | * | * | 99 | 132.5 | 117.1 | -62.8 | 168.6 | 0 | 0 | 0 | 112.6 | N694 | N694-I696 PolarHBondContact O-N 2.9Š| |||
| 697 | N | 27.7 | Very low | 29.4 | Very low | 138.667 Ų | 138.667 | 138.8 Ų | 138.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | -134.6 | 165.1 | -53.8 | -103.5 | -3.6 | 0 | 0 | 0 | 112.4 | |||||
| 698 | P | 34.6 | Very low | 29.3 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | trans | -90.7 | 170.7 | 179.3 | 37.4 | -35.2 | 0 | 0 | 0 | 113.2 | ||||
| 699 | I | 27.4 | Very low | 29.2 | Very low | 166.667 Ų | 166.667 | 138.5 Ų | 138.5 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -161.6 | 145.4 | 163.3 | -87.6 | 167.3 | 0 | 0 | 0 | 111.6 | ||||
| 700 | T | 28 | Very low | 29.4 | Very low | 117.333 Ų | 117.333 | 136.6 Ų | 136.6 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -129.4 | 158.4 | -142 | -24 | 0 | 0 | 0 | 0 | 111.3 | S702 | T700-S702 PolarHBondContact O-N 3.24Š| ||
| 701 | S | 28.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | 66.9 | 133.8 | 152.2 | -32.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 702 | S | 28.9 | Very low | 29.2 | Very low | 100.667 Ų | 100.667 | 135.5 Ų | 135.5 | 70% | 0.704 | 76% | 0.76 | S | S | * | * | trans | -177.5 | 128.2 | 138.7 | -28.9 | 0 | 0 | 0 | 0 | 117 | T700 | T700-S702 PolarHBondContact O-N 3.24Š| ||
| 703 | A | 28.8 | Very low | 29.2 | Very low | 92.6667 Ų | 92.6667 | 129.6 Ų | 129.6 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | 46.7 | 145.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 704 | T | 29.4 | Very low | 29.2 | Very low | 119.667 Ų | 119.667 | 134.2 Ų | 134.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | -168.4 | 131 | 108.9 | -31 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 705 | Q | 29.8 | Very low | 29 | Very low | 174.667 Ų | 174.667 | 134.5 Ų | 134.5 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | 65.8 | 151.5 | 152.3 | -70.6 | 179.2 | 30.9 | 0 | 0 | 116 | ||||
| 706 | L | 27.7 | Very low | 29 | Very low | 144.667 Ų | 144.667 | 134.5 Ų | 134.5 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | cis | -157.1 | 151.4 | -26.8 | -122.1 | 171.3 | 0 | 0 | 0 | 110.8 | ||||
| 707 | I | 29.3 | Very low | 28.7 | Very low | 146.333 Ų | 146.333 | 132.3 Ų | 132.3 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | trans | 66.1 | 142.4 | 151.1 | -65.9 | 163.4 | 0 | 0 | 0 | 118.7 | ||||
| 708 | E | 26.7 | Very low | 28.7 | Very low | 166.333 Ų | 166.333 | 132 Ų | 132 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -122.5 | 164.5 | -153.5 | -71.2 | 172.5 | 143.8 | 0 | 0 | 112.6 | ||||
| 709 | T | 29 | Very low | 28.5 | Very low | 128.333 Ų | 128.333 | 133.2 Ų | 133.2 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | -165 | 149.5 | 107.1 | 2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 710 | P | 33.7 | Very low | 28.6 | Very low | 113.333 Ų | 113.333 | 133 Ų | 133 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -112.5 | 164.6 | -175.4 | 36.4 | -24.7 | 0 | 0 | 0 | 114.5 | ||||
| 711 | V | 29.1 | Very low | 28.7 | Very low | 133.667 Ų | 133.667 | 133.1 Ų | 133.1 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -177.3 | 135.8 | 150 | 164.1 | 0 | 0 | 0 | 0 | 114.1 | V713 | V711-V713 HydrophobicContact CG1-CG2 4.21Š| ||
| 712 | T | 27.4 | Very low | 28.8 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -86.1 | 123.8 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 713 | V | 29.3 | Very low | 28.9 | Very low | 119.667 Ų | 119.667 | 136.6 Ų | 136.6 | 73% | 0.725 | 75% | 0.745 | S | S | * | * | trans | 22.9 | 124.4 | 142.1 | -175.5 | 0 | 0 | 0 | 0 | 118.5 | V711 | V711-V713 HydrophobicContact CG1-CG2 4.21Š| ||
| 714 | Q | 28.5 | Very low | 29 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -136.9 | 157.3 | 138.3 | -97.8 | 174 | 2 | 0 | 0 | 113.4 | ||||
| 715 | N | 26.5 | Very low | 29.1 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -117.7 | 163.6 | 176.4 | -93.6 | -15.9 | 0 | 0 | 0 | 112.5 | ||||
| 716 | I | 27.1 | Very low | 29.1 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | trans | 155.4 | 121.8 | 153.5 | -66 | 163.3 | 0 | 0 | 0 | 111.7 | ||||
| 717 | S | 26.3 | Very low | 29.1 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | 161.6 | 146.5 | 129.9 | 70.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 718 | N | 27.8 | Very low | 29 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | 39.2 | 154.4 | 153.6 | -65.4 | 14 | 0 | 0 | 0 | 115.5 | ||||
| 719 | D | 29.1 | Very low | 29.1 | Very low | 136.333 Ų | 136.333 | 133.8 Ų | 133.8 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | cis | -165.2 | 155.4 | 29.1 | -105.4 | -20.1 | 0 | 0 | 0 | 111.3 | ||||
| 720 | E | 29.9 | Very low | 29.1 | Very low | 161.333 Ų | 161.333 | 132.8 Ų | 132.8 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | -37.5 | 164.3 | 139.6 | -86.7 | -146.8 | 159.8 | 0 | 0 | 115.7 | ||||
| 721 | N | 29 | Very low | 28.9 | Very low | 120.333 Ų | 120.333 | 134.2 Ų | 134.2 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | 141.8 | 139.4 | 102.4 | -135 | -23.9 | 0 | 0 | 0 | 115.8 | |||||
| 722 | I | 30.8 | Very low | 28.9 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | trans | 69.7 | 135.4 | 141.9 | -65.6 | 173.1 | 0 | 0 | 0 | 119 | ||||
| 723 | K | 30.9 | Very low | 29 | Very low | 142.333 Ų | 142.333 | 135.3 Ų | 135.3 | 62% | 0.619 | 73% | 0.734 | S | S | * | * | cis | 160 | 154.3 | -11.4 | -118.6 | 178.4 | 166.2 | -103.2 | 0 | 112.4 | ||||
| 724 | D | 31.8 | Very low | 28.9 | Very low | 115.333 Ų | 115.333 | 133.1 Ų | 133.1 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | 88.1 | 152.4 | 107.6 | -78.8 | -15 | 0 | 0 | 0 | 117.4 | |||||
| 725 | D | 32.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | 94.5 | 110.3 | 118.8 | -93.1 | -17.3 | 0 | 0 | 0 | 117.1 | |||||
| 726 | N | 28.8 | Very low | 29.1 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | 100.4 | 130.8 | 96 | -88.5 | -48.1 | 0 | 0 | 0 | 118.8 | |||||
| 727 | T | 29.1 | Very low | 29.1 | Very low | 105.333 Ų | 105.333 | 130.8 Ų | 130.8 | 65% | 0.646 | 73% | 0.727 | S | S | * | * | 118.1 | 137.5 | 104 | -31 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 728 | Y | 27.2 | Very low | 29.3 | Very low | 223 Ų | 223 | 132 Ų | 132 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | trans | 72.6 | 115.6 | 149.5 | -75 | -78.2 | 0 | 0 | 0 | 120.1 | ||||
| 729 | G | 27.9 | Very low | 29.4 | Very low | 73.3333 Ų | 73.3333 | 137.2 Ų | 137.2 | 76% | 0.756 | 74% | 0.743 | S | S | * | * | trans | -177.2 | 125.4 | 133.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 730 | S | 29.5 | Very low | 29.4 | Very low | 107.667 Ų | 107.667 | 136.2 Ų | 136.2 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | -133.7 | 143.8 | 164.9 | -139.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 731 | N | 29.9 | Very low | 29.4 | Very low | 143.333 Ų | 143.333 | 136.7 Ų | 136.7 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -147.8 | 147.9 | 175.9 | -88.4 | -34.9 | 0 | 0 | 0 | 113.6 | ||||
| 732 | N | 28.1 | Very low | 29.6 | Very low | 139.333 Ų | 139.333 | 136.5 Ų | 136.5 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | -11.8 | 136.1 | 158.5 | -62.1 | -28.4 | 0 | 0 | 0 | 118.4 | ||||
| 733 | T | 29 | Very low | 29.6 | Very low | 139.667 Ų | 139.667 | 140.7 Ų | 140.7 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | 165.4 | 140.2 | 127.6 | -40.7 | 0 | 0 | 0 | 0 | 113.7 | T735 | T733-T735 PolarHBondContact O-N 2.91Š| |||
| 734 | A | 27.5 | Very low | 29.6 | Very low | 74.3333 Ų | 74.3333 | 141.7 Ų | 141.7 | 61% | 0.614 | 77% | 0.769 | S | S | * | * | trans | -114.3 | 144.7 | -145.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y570 | Y570-A734 VanDerWaalsContact CE1-O 3.22Å; Y570-A734 WeakPolarHBondContact CE1-O 2.88Å | ||
| 735 | T | 29.4 | Very low | 29.7 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 27.5 | 130 | 158.4 | 39.4 | 0 | 0 | 0 | 0 | 116.5 | Y570 T733 | Y570-T735 WeakPolarHBondContact CD1-O 3.27Å; Y570-T735 WeakPolarHBondContact CE1-OG1 3.38Å; Y570-T735 PolarHBondContact OH-OG1 3.49Å; T733-T735 PolarHBondContact O-N 2.91Å | ||
| 736 | N | 29.5 | Very low | 29.7 | Very low | 154.333 Ų | 154.333 | 138.5 Ų | 138.5 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -111.9 | 145.2 | 171.1 | -82.2 | -69 | 0 | 0 | 0 | 110.9 | P738 | N736-P738 WeakPolarHBondContact O-CD 3.42Š| ||
| 737 | L | 28.1 | Very low | 30 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -114.9 | 123.1 | 169.2 | -167.4 | 75.1 | 0 | 0 | 0 | 109.3 | R739 | L737-R739 PolarHBondContact O-N 3.04Š| ||
| 738 | P | 31 | Very low | 30.2 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -95 | 119 | 168.2 | 29.4 | -26.5 | 0 | 0 | 0 | 111.9 | N736 | N736-P738 WeakPolarHBondContact O-CD 3.42Š| ||
| 739 | R | 27.9 | Very low | 30.5 | Very low | 240.333 Ų | 240.333 | 135.8 Ų | 135.8 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -61.4 | 114.3 | 158.1 | -161.8 | 174 | -172.1 | 161.7 | 1.5 | 112.4 | L737 | L737-R739 PolarHBondContact O-N 3.04Š| ||
| 740 | S | 30.2 | Very low | 30.9 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.4 | 177.8 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 741 | Q | 30.7 | Very low | 31.2 | Very low | 172.667 Ų | 172.667 | 136.5 Ų | 136.5 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 151.5 | 164.6 | -74 | -151.5 | -11.7 | 0 | 0 | 109.9 | Y743 | Q741-Y743 PolarHBondContact O-N 2.95Š|
| 742 | P | 32.3 | Very low | 31.5 | Very low | 114.667 Ų | 114.667 | 135.2 Ų | 135.2 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 134.6 | 175.8 | 31.2 | -32.4 | 0 | 0 | 0 | 111.8 | E744 | P742-E744 PolarHBondContact O-N 3.14Å; P742-E744 VanDerWaalsContact O-N 3.09Å |
| 743 | Y | 30.5 | Very low | 32 | Very low | 231.333 Ų | 231.333 | 132.9 Ų | 132.9 | 91% | 0.907 | 73% | 0.734 | S | S | * | * | trans | -69 | 124.1 | 179.4 | -86.1 | -98.3 | 0 | 0 | 0 | 112.8 | Q741 A745 | Q741-Y743 PolarHBondContact O-N 2.95Å; Y743-A745 PolarHBondContact O-N 3.04Å; Y743-A745 VanDerWaalsContact O-N 3.07Å | ||
| 744 | E | 31.4 | Very low | 32.4 | Very low | 163.667 Ų | 163.667 | 135.6 Ų | 135.6 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | -84.1 | 97 | 169.8 | -174.2 | 160.4 | -133.5 | 0 | 0 | 109.8 | P742 T746 | P742-E744 PolarHBondContact O-N 3.14Å; P742-E744 VanDerWaalsContact O-N 3.09Å; E744-T746 VanDerWaalsContact C-N 3.29Å; E744-T746 PolarHBondContact O-N 3.15Å; E744-T746 VanDerWaalsContact O-N 3.11Å | ||
| 745 | A | 33.1 | Very low | 33.1 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | trans | -83.3 | 100.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y743 L747 | Y743-A745 PolarHBondContact O-N 3.04Å; Y743-A745 VanDerWaalsContact O-N 3.07Å; A745-L747 VanDerWaalsContact C-N 3.29Å; A745-L747 PolarHBondContact O-N 3.16Å | ||
| 746 | T | 33.3 | Very low | 33.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | trans | -76.9 | 99.7 | 171.8 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | E744 I748 | E744-T746 VanDerWaalsContact C-N 3.29Å; E744-T746 PolarHBondContact O-N 3.15Å; E744-T746 VanDerWaalsContact O-N 3.11Å; T746-I748 HydrophobicContact CG2-CG1 4.31Å; T746-I748 PolarHBondContact O-N 3.03Å | ||
| 747 | L | 34.4 | Very low | 33.4 | Very low | 135.667 Ų | 135.667 | 136 Ų | 136 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | trans | -76.3 | 112.2 | 173.2 | -68.5 | 173.1 | 0 | 0 | 0 | 109.8 | A745 L749 | A745-L747 VanDerWaalsContact C-N 3.29Å; A745-L747 PolarHBondContact O-N 3.16Å; L747-L749 VanDerWaalsContact C-N 3.34Å; L747-L749 PolarHBondContact O-N 3.07Å | ||
| 748 | I | 32.8 | Very low | 33.8 | Very low | 141.333 Ų | 141.333 | 137.3 Ų | 137.3 | 73% | 0.725 | 74% | 0.74 | S | S | * | * | trans | -87.1 | 106.8 | 175.7 | -58.1 | 174.1 | 0 | 0 | 0 | 108.5 | T746 | T746-I748 HydrophobicContact CG2-CG1 4.31Å; T746-I748 PolarHBondContact O-N 3.03Å | ||
| 749 | L | 35 | Very low | 34.1 | Very low | 132.667 Ų | 132.667 | 137 Ų | 137 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | -82.9 | 140 | 171.2 | -71.6 | 163.3 | 0 | 0 | 0 | 109.9 | L747 T751 | L747-L749 VanDerWaalsContact C-N 3.34Å; L747-L749 PolarHBondContact O-N 3.07Å; L749-T751 PolarHBondContact O-N 3.17Å | ||
| 750 | P | 36 | Very low | 34.4 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 61% | 0.61 | 72% | 0.718 | S | S | * | * | trans | -65.6 | 140.8 | 176.3 | -8 | 14.7 | 0 | 0 | 0 | 112.4 | V752 L757 I759 | P750-V752 PolarHBondContact O-N 3.43Å; P750-L757 HydrophobicContact CB-CD2 3.44Å; P750-L757 VanDerWaalsContact CB-CD2 3.44Å; P750-I759 HydrophobicContact CB-CD1 4.16Å; P750-I759 HydrophobicContact CB-CG1 3.8Å; P750-I759 HydrophobicContact CG-CD1 3.92Å; P750-I759 HydrophobicContact CG-CG1 4.08Å | ||
| 751 | T | 35.9 | Very low | 34.7 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | trans | -90.7 | 114.9 | 177.5 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | L749 T753 | L749-T751 PolarHBondContact O-N 3.17Å; T751-T753 HydrophobicContact CG2-CG2 4.08Å; T751-T753 PolarHBondContact O-N 2.98Å | ||
| 752 | V | 34.7 | Very low | 34.9 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | trans | -75.8 | 117.5 | 172.1 | -178 | 0 | 0 | 0 | 0 | 108.9 | P750 L757 | P750-V752 PolarHBondContact O-N 3.43Å; V752-L757 HydrophobicContact CB-CD2 4.1Å; V752-L757 HydrophobicContact CB-CG 4.25Å; V752-L757 HydrophobicContact CG1-CG 4.43Å; V752-L757 HydrophobicContact CG2-CD1 4.16Å; V752-L757 HydrophobicContact CG2-CD2 3.49Å; V752-L757 VanDerWaalsContact CG2-CD2 3.49Å; V752-L757 HydrophobicContact CG2-CG 3.75Å | ||
| 753 | T | 39.5 | Very low | 35 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | trans | -91.5 | 142 | 173.8 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | T751 L755 G756 | T751-T753 HydrophobicContact CG2-CG2 4.08Å; T751-T753 PolarHBondContact O-N 2.98Å; T753-L755 PolarHBondContact O-N 3.15Å; T753-L755 VanDerWaalsContact O-N 3.15Å; T753-G756 PolarHBondContact N-O 2.97Å; T753-G756 PolarHBondContact O-N 3.25Å; T753-G756 PolarHBondContact OG1-O 2.95Å | ||
| 754 | Q | 37.4 | Very low | 35.2 | Very low | 195.667 Ų | 195.667 | 130.1 Ų | 130.1 | 91% | 0.914 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -44.6 | 62.2 | 179.1 | -163.2 | 173.8 | 12.4 | 0 | 0 | 115 | ||
| 755 | L | 41.2 | Very low | 35.2 | Very low | 157.667 Ų | 157.667 | 130.2 Ų | 130.2 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | 102.3 | 160.2 | -82.2 | 177.6 | 0 | 0 | 0 | 110 | T753 L757 | T753-L755 PolarHBondContact O-N 3.15Å; T753-L755 VanDerWaalsContact O-N 3.15Å; L755-L757 PolarHBondContact O-N 3.07Å |
| 756 | G | 31.3 | Very low | 35 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | -96.2 | 123.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | T753 E758 | T753-G756 PolarHBondContact N-O 2.97Å; T753-G756 PolarHBondContact O-N 3.25Å; T753-G756 PolarHBondContact OG1-O 2.95Å; G756-E758 PolarHBondContact O-N 3.1Å | ||
| 757 | L | 35.4 | Very low | 34.7 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | -116.5 | 103.9 | 169 | -78 | 169.6 | 0 | 0 | 0 | 109.7 | P750 V752 L755 I759 | P750-L757 HydrophobicContact CB-CD2 3.44Å; P750-L757 VanDerWaalsContact CB-CD2 3.44Å; V752-L757 HydrophobicContact CB-CD2 4.1Å; V752-L757 HydrophobicContact CB-CG 4.25Å; V752-L757 HydrophobicContact CG1-CG 4.43Å; V752-L757 HydrophobicContact CG2-CD1 4.16Å; V752-L757 HydrophobicContact CG2-CD2 3.49Å; V752-L757 VanDerWaalsContact CG2-CD2 3.49Å; V752-L757 HydrophobicContact CG2-CG 3.75Å; L755-L757 PolarHBondContact O-N 3.07Å; L757-I759 VanDerWaalsContact C-N 3.34Å; L757-I759 PolarHBondContact O-N 3.36Å; L757-I759 VanDerWaalsContact O-N 3.08Å | ||
| 758 | E | 36.2 | Very low | 34.4 | Very low | 181.667 Ų | 181.667 | 135.4 Ų | 135.4 | 85% | 0.849 | 72% | 0.721 | S | S | * | * | trans | -80.3 | 104 | 164 | -71.9 | -172.3 | 160.1 | 0 | 0 | 108.5 | G756 N760 | G756-E758 PolarHBondContact O-N 3.1Å; E758-N760 PolarHBondContact O-N 3.2Å | ||
| 759 | I | 37.2 | Very low | 34.2 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 59% | 0.59 | 72% | 0.724 | S | S | * | * | trans | -80.3 | 95.2 | 171.9 | -50.6 | 176.2 | 0 | 0 | 0 | 106.9 | P750 L757 L761 | P750-I759 HydrophobicContact CB-CD1 4.16Å; P750-I759 HydrophobicContact CB-CG1 3.8Å; P750-I759 HydrophobicContact CG-CD1 3.92Å; P750-I759 HydrophobicContact CG-CG1 4.08Å; L757-I759 VanDerWaalsContact C-N 3.34Å; L757-I759 PolarHBondContact O-N 3.36Å; L757-I759 VanDerWaalsContact O-N 3.08Å; I759-L761 VanDerWaalsContact C-N 3.28Å; I759-L761 HydrophobicContact CG2-CD1 4.47Å; I759-L761 HydrophobicContact CG2-CD2 4.29Å; I759-L761 HydrophobicContact CG2-CG 4.05Å; I759-L761 PolarHBondContact O-N 3.02Å | ||
| 760 | N | 34.2 | Very low | 33.8 | Very low | 119.667 Ų | 119.667 | 136.9 Ų | 136.9 | 64% | 0.64 | 73% | 0.73 | S | S | * | * | trans | -74.8 | 98.4 | 179.9 | -166.6 | -6.4 | 0 | 0 | 0 | 109.9 | E758 D762 | E758-N760 PolarHBondContact O-N 3.2Å; N760-D762 PolarHBondContact ND2-OD2 3.12Å; N760-D762 PolarHBondContact O-N 3.09Å; N760-D762 VanDerWaalsContact O-N 3.11Å; N760-D762 WeakPolarHBondContact OD1-CB 3.32Å; N760-D762 PolarHBondContact OD1-N 2.88Å | ||
| 761 | L | 37 | Very low | 33.4 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -85.3 | 32.7 | -179.5 | -70.3 | 170.7 | 0 | 0 | 0 | 112.3 | I759 K763 | I759-L761 VanDerWaalsContact C-N 3.28Å; I759-L761 HydrophobicContact CG2-CD1 4.47Å; I759-L761 HydrophobicContact CG2-CD2 4.29Å; I759-L761 HydrophobicContact CG2-CG 4.05Å; I759-L761 PolarHBondContact O-N 3.02Å; L761-K763 VanDerWaalsContact C-N 3.31Å; L761-K763 PolarHBondContact O-N 3.26Å | ||
| 762 | D | 33.5 | Very low | 32.9 | Very low | 124.667 Ų | 124.667 | 138 Ų | 138 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | trans | -85.9 | 63.7 | 176.8 | -76.3 | -29.8 | 0 | 0 | 0 | 111.3 | N760 | N760-D762 PolarHBondContact ND2-OD2 3.12Å; N760-D762 PolarHBondContact O-N 3.09Å; N760-D762 VanDerWaalsContact O-N 3.11Å; N760-D762 WeakPolarHBondContact OD1-CB 3.32Å; N760-D762 PolarHBondContact OD1-N 2.88Å | ||
| 763 | K | 35.1 | Very low | 32.6 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -167.8 | 114.5 | 156.1 | -91 | 167.2 | -175.4 | -176.4 | 0 | 112.9 | L761 L765 S766 | L761-K763 VanDerWaalsContact C-N 3.31Å; L761-K763 PolarHBondContact O-N 3.26Å; K763-L765 PolarHBondContact O-N 3.29Å; K763-S766 PolarHBondContact O-OG 2.75Å |
| 764 | E | 34.5 | Very low | 32 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -44.1 | 56.4 | 174.8 | -59.4 | -86.9 | 158.1 | 0 | 0 | 114.1 | S766 | E764-S766 PolarHBondContact O-N 3.04Š| ||
| 765 | L | 31.1 | Very low | 31.4 | Very low | 165.667 Ų | 165.667 | 137.9 Ų | 137.9 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | -112.9 | 42.2 | 160.6 | -76.1 | 176.7 | 0 | 0 | 0 | 111.4 | K763 F767 | K763-L765 PolarHBondContact O-N 3.29Å; L765-F767 VanDerWaalsContact C-N 3.28Å; L765-F767 HydrophobicContact CB-CD2 4.15Å; L765-F767 HydrophobicContact CD2-CD2 3.86Å; L765-F767 HydrophobicContact CD2-CE2 3.44Å; L765-F767 VanDerWaalsContact CD2-CE2 3.44Å; L765-F767 PolarHBondContact O-N 2.98Å; L765-F767 VanDerWaalsContact O-N 3.08Å | ||
| 766 | S | 28.9 | Very low | 30.7 | Very low | 80.6667 Ų | 80.6667 | 136.3 Ų | 136.3 | 56% | 0.564 | 75% | 0.746 | S | S | * | * | trans | -85 | 88.2 | 162.2 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | K763 E764 | K763-S766 PolarHBondContact O-OG 2.75Å; E764-S766 PolarHBondContact O-N 3.04Å | ||
| 767 | F | 27.6 | Very low | 30.5 | Very low | 170.667 Ų | 170.667 | 142 Ų | 142 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -130.5 | 43.5 | 176.5 | -64.4 | -68.2 | 0 | 0 | 0 | 114.8 | L765 | L765-F767 VanDerWaalsContact C-N 3.28Å; L765-F767 HydrophobicContact CB-CD2 4.15Å; L765-F767 HydrophobicContact CD2-CD2 3.86Å; L765-F767 HydrophobicContact CD2-CE2 3.44Å; L765-F767 VanDerWaalsContact CD2-CE2 3.44Å; L765-F767 PolarHBondContact O-N 2.98Å; L765-F767 VanDerWaalsContact O-N 3.08Å | ||
| 768 | L | 28.3 | Very low | 30.2 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -120.1 | 75.4 | 148.9 | -78.4 | 179 | 0 | 0 | 0 | 110.2 | T770 | L768-T770 PolarHBondContact O-N 3.47Š| ||
| 769 | H | 27.3 | Very low | 29.8 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -100 | 114.9 | 158.7 | -108.8 | -92.8 | 0 | 0 | 0 | 108.8 | ||||
| 770 | T | 28 | Very low | 29.4 | Very low | 133.667 Ų | 133.667 | 141.3 Ų | 141.3 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | trans | -100.4 | 115.2 | 162.4 | 44.8 | 0 | 0 | 0 | 0 | 109.4 | L768 S772 | L768-T770 PolarHBondContact O-N 3.47Å; T770-S772 VanDerWaalsContact C-N 3.29Å; T770-S772 PolarHBondContact O-N 2.87Å | ||
| 771 | S | 26.9 | Very low | 29.1 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -74 | 102.9 | 176.2 | 41.8 | 0 | 0 | 0 | 0 | 110.4 | I773 | S771-I773 PolarHBondContact O-N 2.89Š| ||
| 772 | S | 25.4 | Very low | 28.8 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -75.3 | 109.1 | 159.9 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | T770 L774 | T770-S772 VanDerWaalsContact C-N 3.29Å; T770-S772 PolarHBondContact O-N 2.87Å; S772-L774 PolarHBondContact O-N 3.45Å | ||
| 773 | I | 28.8 | Very low | 28.5 | Very low | 143.333 Ų | 143.333 | 141.5 Ų | 141.5 | 74% | 0.735 | 78% | 0.775 | S | S | * | * | trans | -88.8 | 106.4 | 174.7 | -63 | 174.3 | 0 | 0 | 0 | 108.7 | S771 S775 | S771-I773 PolarHBondContact O-N 2.89Å; I773-S775 PolarHBondContact O-N 2.98Å | ||
| 774 | L | 26.7 | Very low | 28.2 | Very low | 145.667 Ų | 145.667 | 138.5 Ų | 138.5 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 13.7 | 100.6 | 145.9 | -160 | 71.4 | 0 | 0 | 0 | 115 | S772 | S772-L774 PolarHBondContact O-N 3.45Š| ||
| 775 | S | 25.6 | Very low | 27.8 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -81.6 | 124.7 | 159.6 | -37.6 | 0 | 0 | 0 | 0 | 111 | I773 E777 | I773-S775 PolarHBondContact O-N 2.98Å; S775-E777 PolarHBondContact O-N 2.95Å | ||
| 776 | T | 26.5 | Very low | 27.7 | Very low | 124.667 Ų | 124.667 | 137.9 Ų | 137.9 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -97.4 | 120.8 | 164.6 | 20.3 | 0 | 0 | 0 | 0 | 109.3 | T778 | T776-T778 HydrophobicContact CG2-CG2 4.44Š| ||
| 777 | E | 27.2 | Very low | 27.5 | Very low | 183.667 Ų | 183.667 | 138.8 Ų | 138.8 | 86% | 0.858 | 78% | 0.78 | S | S | * | * | trans | -114.6 | 120.6 | 161.8 | -94.4 | -176.7 | 141.5 | 0 | 0 | 109.7 | S775 | S775-E777 PolarHBondContact O-N 2.95Š| ||
| 778 | T | 28.4 | Very low | 27.6 | Very low | 123.333 Ų | 123.333 | 136.5 Ų | 136.5 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -116.5 | 128 | 156.3 | 29.6 | 0 | 0 | 0 | 0 | 109.2 | T776 | T776-T778 HydrophobicContact CG2-CG2 4.44Š| ||
| 779 | N | 27.8 | Very low | 27.5 | Very low | 142.333 Ų | 142.333 | 133.4 Ų | 133.4 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -141.6 | 143.3 | 153.4 | -77.8 | -45.6 | 0 | 0 | 0 | 111.1 | ||||
| 780 | N | 29 | Very low | 27.4 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 117.3 | 121.6 | 160.1 | -66.4 | -32.6 | 0 | 0 | 0 | 112 | ||||
| 781 | V | 27.9 | Very low | 27.4 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | 165.2 | 115.6 | 53 | 162 | 0 | 0 | 0 | 0 | 109 | |||||
| 782 | T | 29.8 | Very low | 27.6 | Very low | 126.333 Ų | 126.333 | 134.2 Ų | 134.2 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | 92.7 | 136.7 | 133.4 | 1.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 783 | D | 26.6 | Very low | 28.2 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -100.4 | 163 | 176.6 | -87.5 | -50.2 | 0 | 0 | 0 | 116.7 | ||||
| 784 | S | 29.2 | Very low | 28.2 | Very low | 113.333 Ų | 113.333 | 132.3 Ų | 132.3 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | 116.8 | 130.4 | 158.1 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 785 | K | 26.1 | Very low | 28.4 | Very low | 191.667 Ų | 191.667 | 132.1 Ų | 132.1 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | 80.6 | 126 | 97 | -92.6 | 178.2 | -178.9 | 175.2 | 0 | 112.4 | |||||
| 786 | T | 28.7 | Very low | 28.5 | Very low | 126.333 Ų | 126.333 | 134.7 Ų | 134.7 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | -176.9 | 126.6 | 113.7 | 20 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 787 | S | 26.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | 69.1 | 132.5 | 87.1 | 73.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 788 | V | 27.8 | Very low | 28.9 | Very low | 122.667 Ų | 122.667 | 131 Ų | 131 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 106.4 | 112.9 | 131.4 | 175.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 789 | T | 26.4 | Very low | 28.8 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | trans | 67.3 | 126.9 | 141.8 | 51.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 790 | D | 25.8 | Very low | 28.9 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | 81.8 | 141.3 | 124.9 | -58.7 | -15.4 | 0 | 0 | 0 | 122.5 | |||||
| 791 | I | 28.6 | Very low | 28.8 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | 157.3 | 129.4 | 109.5 | -85.6 | 172.2 | 0 | 0 | 0 | 110.5 | |||||
| 792 | V | 30.9 | Very low | 28.8 | Very low | 130.667 Ų | 130.667 | 132.1 Ų | 132.1 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | 179.2 | 159.7 | 162.6 | -158.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 793 | P | 37.1 | Very low | 28.8 | Very low | 107.333 Ų | 107.333 | 133.2 Ų | 133.2 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | trans | -126.9 | -174.4 | 176.8 | 28.8 | -9.8 | 0 | 0 | 0 | 113 | ||||
| 794 | T | 28.9 | Very low | 28.9 | Very low | 116.333 Ų | 116.333 | 132.2 Ų | 132.2 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | trans | 99.9 | 125.4 | 138 | -29.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 795 | I | 30.7 | Very low | 28.9 | Very low | 141.333 Ų | 141.333 | 133.5 Ų | 133.5 | 73% | 0.725 | 73% | 0.733 | S | S | * | * | 179.4 | 120.6 | 66.7 | -69.7 | 171.6 | 0 | 0 | 0 | 111.5 | |||||
| 796 | E | 29.6 | Very low | 28.9 | Very low | 165.333 Ų | 165.333 | 130.5 Ų | 130.5 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | 87.4 | 152.8 | 122 | -64.2 | 176.3 | -165.7 | 0 | 0 | 115.8 | |||||
| 797 | T | 29.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | 164.6 | 143 | 14.6 | -91.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 798 | T | 31 | Very low | 29 | Very low | 121.333 Ų | 121.333 | 130 Ų | 130 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | trans | 92.8 | 130.9 | 136.1 | 50.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 799 | S | 26.2 | Very low | 28.9 | Very low | 89.3333 Ų | 89.3333 | 129.7 Ų | 129.7 | 63% | 0.625 | 73% | 0.731 | S | S | * | * | 64.6 | 145.5 | 75 | 64.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 800 | F | 29.9 | Very low | 28.8 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | 100 | 140 | 134 | -77.3 | -76.3 | 0 | 0 | 0 | 115 | ||||
| 801 | T | 27.4 | Very low | 28.8 | Very low | 124.5 Ų | 124.5 | 131.3 Ų | 131.3 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | -179.1 | 143.6 | 85.9 | 36.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 802 | H | 28.5 | Very low | 28.6 | Very low | 155.75 Ų | 155.75 | 131.4 Ų | 131.4 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | 77.8 | 127.7 | 91 | -154.7 | -76.1 | 0 | 0 | 0 | 113.8 | |||||
| 803 | E | 29 | Very low | 28.3 | Very low | 150.25 Ų | 150.25 | 129.8 Ų | 129.8 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | 157.3 | 147.9 | 121 | -93.1 | -170.4 | -151.8 | 0 | 0 | 114.1 | |||||
| 804 | N | 29 | Very low | 27.8 | Very low | 122.75 Ų | 122.75 | 132.5 Ų | 132.5 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | 90.5 | 128.1 | 141.8 | -66.2 | -44.1 | 0 | 0 | 0 | 118.1 | ||||
| 805 | N | 28.5 | Very low | 27.8 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | 98.4 | 109 | 136.3 | -69.8 | -21.9 | 0 | 0 | 0 | 119.2 | ||||
| 806 | T | 27.5 | Very low | 27.9 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | 54.7 | 130.2 | 108.9 | -24.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 807 | A | 26.9 | Very low | 27.7 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 89.7 | 102.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 808 | T | 29 | Very low | 27.6 | Very low | 128.75 Ų | 128.75 | 134.1 Ų | 134.1 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | 95.7 | 110.6 | 127.5 | -43.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 809 | T | 25.7 | Very low | 27.3 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 128.1 | 123.7 | 69.5 | -6 | 0 | 0 | 0 | 0 | 113.6 | T811 | T809-T811 PolarHBondContact O-N 3.15Š| |||
| 810 | M | 25.2 | Very low | 27.3 | Very low | 163.25 Ų | 163.25 | 136.4 Ų | 136.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 79.1 | 118.8 | 117 | -85.4 | -163.8 | -86.5 | 0 | 0 | 114.3 | L812 E891 | M810-L812 PolarHBondContact O-N 2.82Å; M810-E891 HydrophobicContact CE-CG 3.82Å | |||
| 811 | T | 26.6 | Very low | 27.1 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | -46.8 | 136.1 | 138.3 | 44.7 | 0 | 0 | 0 | 0 | 113.5 | T809 E891 | T809-T811 PolarHBondContact O-N 3.15Å; T811-E891 PolarHBondContact OG1-OE1 3.5Å | ||
| 812 | L | 23.7 | Very low | 27 | Very low | 153.5 Ų | 153.5 | 136.6 Ų | 136.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | 173.4 | 120 | 103.4 | -93.1 | 172.3 | 0 | 0 | 0 | 111 | M810 M814 | M810-L812 PolarHBondContact O-N 2.82Å; L812-M814 PolarHBondContact O-N 3.47Å | |||
| 813 | S | 23.8 | Very low | 27 | Very low | 96.5 Ų | 96.5 | 137.4 Ų | 137.4 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | 57.7 | 114.1 | 144.7 | 71.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 814 | M | 26.4 | Very low | 26.8 | Very low | 164.25 Ų | 164.25 | 136.2 Ų | 136.2 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | -162 | 126.1 | 107.5 | -72.7 | -77.4 | 123.4 | 0 | 0 | 114.6 | L812 | L812-M814 PolarHBondContact O-N 3.47Š| |||
| 815 | L | 30.5 | Very low | 26.8 | Very low | 153.75 Ų | 153.75 | 137.3 Ų | 137.3 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -102.2 | 139.9 | 156.6 | -87.3 | 117.6 | 0 | 0 | 0 | 111.4 | N817 | L815-N817 PolarHBondContact O-N 3.19Å; L815-N817 VanDerWaalsContact O-N 3.1Å | ||
| 816 | P | 32 | Very low | 26.6 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | -124.1 | 162.1 | 123.4 | 37.8 | -25 | 0 | 0 | 0 | 113.5 | L818 | P816-L818 PolarHBondContact O-N 2.95Š| |||
| 817 | N | 25.3 | Very low | 26.6 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 42.6 | 106.7 | 140.2 | -75.4 | -29 | 0 | 0 | 0 | 114.8 | L815 S819 | L815-N817 PolarHBondContact O-N 3.19Å; L815-N817 VanDerWaalsContact O-N 3.1Å; N817-S819 PolarHBondContact O-N 3.35Å | ||
| 818 | L | 26.5 | Very low | 26.5 | Very low | 160.25 Ų | 160.25 | 135.8 Ų | 135.8 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -140.6 | 110.2 | 131.7 | -88.3 | 171.9 | 0 | 0 | 0 | 110.7 | P816 I820 | P816-L818 PolarHBondContact O-N 2.95Å; L818-I820 PolarHBondContact O-N 3.38Å | ||
| 819 | S | 25.7 | Very low | 26.5 | Very low | 109.5 Ų | 109.5 | 137.3 Ų | 137.3 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -67.9 | 110.8 | 175.5 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | N817 R821 | N817-S819 PolarHBondContact O-N 3.35Å; S819-R821 VanDerWaalsContact C-N 3.32Å; S819-R821 PolarHBondContact O-N 3.17Å | ||
| 820 | I | 26.5 | Very low | 26.5 | Very low | 150.75 Ų | 150.75 | 137.1 Ų | 137.1 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -117.9 | 91.4 | 146.2 | -60.5 | 174.3 | 0 | 0 | 0 | 109.3 | L818 | L818-I820 PolarHBondContact O-N 3.38Š| ||
| 821 | R | 26.1 | Very low | 26.8 | Very low | 214.25 Ų | 214.25 | 136.1 Ų | 136.1 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 59.9 | 116.7 | 132.7 | -164.1 | 179 | -174.9 | 157.6 | 0.8 | 113.8 | S819 Q823 | S819-R821 VanDerWaalsContact C-N 3.32Å; S819-R821 PolarHBondContact O-N 3.17Å; R821-Q823 HydrophobicContact CG-CG 4.35Å; R821-Q823 PolarHBondContact O-N 3.14Å | ||
| 822 | S | 24.3 | Very low | 26.9 | Very low | 106.75 Ų | 106.75 | 135.3 Ų | 135.3 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -68.3 | 139.2 | 148.5 | -39.8 | 0 | 0 | 0 | 0 | 111.4 | T824 | S822-T824 PolarHBondContact O-N 3.12Š| ||
| 823 | Q | 28.3 | Very low | 27.3 | Very low | 171.25 Ų | 171.25 | 132.8 Ų | 132.8 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -118.2 | 136.6 | 150 | -86.8 | -171.3 | 38.7 | 0 | 0 | 109.8 | R821 I825 | R821-Q823 HydrophobicContact CG-CG 4.35Å; R821-Q823 PolarHBondContact O-N 3.14Å; Q823-I825 VanDerWaalsContact C-N 3.27Å; Q823-I825 HydrophobicContact CB-CG1 4.05Å; Q823-I825 PolarHBondContact O-N 3.3Å; Q823-I825 VanDerWaalsContact O-N 3.09Å | ||
| 824 | T | 25.7 | Very low | 27.5 | Very low | 124.75 Ų | 124.75 | 137.4 Ų | 137.4 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -83.3 | 123.5 | 175.7 | 25.8 | 0 | 0 | 0 | 0 | 109.8 | S822 S826 | S822-T824 PolarHBondContact O-N 3.12Å; T824-S826 VanDerWaalsContact C-N 3.34Å; T824-S826 PolarHBondContact O-N 3.43Å; T824-S826 VanDerWaalsContact O-N 3.1Å | ||
| 825 | I | 28.3 | Very low | 27.5 | Very low | 147.75 Ų | 147.75 | 135.3 Ų | 135.3 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | -118.1 | 122.9 | 147.5 | -72.6 | 173.2 | 0 | 0 | 0 | 108.3 | Q823 S827 | Q823-I825 VanDerWaalsContact C-N 3.27Å; Q823-I825 HydrophobicContact CB-CG1 4.05Å; Q823-I825 PolarHBondContact O-N 3.3Å; Q823-I825 VanDerWaalsContact O-N 3.09Å; I825-S827 VanDerWaalsContact C-N 3.28Å; I825-S827 PolarHBondContact O-N 3.2Å; I825-S827 PolarHBondContact O-OG 3.38Å | ||
| 826 | S | 25.1 | Very low | 27.3 | Very low | 108.75 Ų | 108.75 | 133.8 Ų | 133.8 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -56.3 | 108.7 | 168.6 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | T824 S828 | T824-S826 VanDerWaalsContact C-N 3.34Å; T824-S826 PolarHBondContact O-N 3.43Å; T824-S826 VanDerWaalsContact O-N 3.1Å; S826-S828 PolarHBondContact O-N 3.47Å; S826-S828 VanDerWaalsContact O-N 3.09Å | ||
| 827 | S | 26.8 | Very low | 27 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -128.1 | 119.1 | 158.5 | 10.4 | 0 | 0 | 0 | 0 | 110.4 | I825 I829 | I825-S827 VanDerWaalsContact C-N 3.28Å; I825-S827 PolarHBondContact O-N 3.2Å; I825-S827 PolarHBondContact O-OG 3.38Å; S827-I829 PolarHBondContact O-N 3.22Å | ||
| 828 | S | 25.5 | Very low | 27 | Very low | 105.75 Ų | 105.75 | 134.7 Ų | 134.7 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -60.3 | 116.1 | 172.2 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | S826 T830 | S826-S828 PolarHBondContact O-N 3.47Å; S826-S828 VanDerWaalsContact O-N 3.09Å; S828-T830 PolarHBondContact O-N 3.21Å; S828-T830 VanDerWaalsContact O-N 3.11Å | ||
| 829 | I | 28 | Very low | 26.9 | Very low | 160.75 Ų | 160.75 | 132.4 Ų | 132.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -87.4 | 108.5 | 166.2 | -75.8 | 176.9 | 0 | 0 | 0 | 108 | S827 I831 | S827-I829 PolarHBondContact O-N 3.22Å; I829-I831 HydrophobicContact CG2-CD1 3.8Å; I829-I831 HydrophobicContact CG2-CG1 3.99Å; I829-I831 PolarHBondContact O-N 3.15Å | ||
| 830 | T | 26.2 | Very low | 26.9 | Very low | 112.25 Ų | 112.25 | 133.8 Ų | 133.8 | 69% | 0.689 | 75% | 0.75 | S | S | * | * | trans | -97.5 | 122.4 | 173.4 | -63.5 | 0 | 0 | 0 | 0 | 108.3 | S828 P832 | S828-T830 PolarHBondContact O-N 3.21Å; S828-T830 VanDerWaalsContact O-N 3.11Å; T830-P832 VanDerWaalsContact O-CD 3.24Å; T830-P832 WeakPolarHBondContact O-CD 3.43Å | ||
| 831 | I | 31.5 | Very low | 26.9 | Very low | 141.5 Ų | 141.5 | 135.4 Ų | 135.4 | 73% | 0.726 | 76% | 0.756 | S | S | * | * | trans | -49.5 | 120.1 | 169.3 | -62.3 | 165.5 | 0 | 0 | 0 | 110.4 | I829 F834 | I829-I831 HydrophobicContact CG2-CD1 3.8Å; I829-I831 HydrophobicContact CG2-CG1 3.99Å; I829-I831 PolarHBondContact O-N 3.15Å; I831-F834 HydrophobicContact CG2-CE2 4.02Å | ||
| 832 | P | 29.7 | Very low | 26.9 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | -97.1 | 153.1 | 148.9 | 25.4 | -17.3 | 0 | 0 | 0 | 112.6 | T830 F834 | T830-P832 VanDerWaalsContact O-CD 3.24Å; T830-P832 WeakPolarHBondContact O-CD 3.43Å; P832-F834 WeakPolarHBondContact O-CD2 3.24Å; P832-F834 PolarHBondContact O-N 3.03Å | ||
| 833 | P | 30.5 | Very low | 27.1 | Very low | 102.75 Ų | 102.75 | 129.9 Ų | 129.9 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | -79.5 | 141.6 | 175.5 | 32.8 | -33.7 | 0 | 0 | 0 | 111.5 | T835 | P833-T835 VanDerWaalsContact C-N 3.3Å; P833-T835 PolarHBondContact O-N 2.82Å | ||
| 834 | F | 28 | Very low | 27 | Very low | 193 Ų | 193 | 126.3 Ų | 126.3 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -65.7 | 96.3 | 165.6 | -72.4 | -78.8 | 0 | 0 | 0 | 112.6 | I831 P832 T836 | I831-F834 HydrophobicContact CG2-CE2 4.02Å; P832-F834 WeakPolarHBondContact O-CD2 3.24Å; P832-F834 PolarHBondContact O-N 3.03Å; F834-T836 VanDerWaalsContact C-N 3.31Å; F834-T836 PolarHBondContact O-N 3.08Å | ||
| 835 | T | 27.8 | Very low | 27.1 | Very low | 120.25 Ų | 120.25 | 127.7 Ų | 127.7 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -117.6 | 113.2 | 152.8 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | P833 S837 | P833-T835 VanDerWaalsContact C-N 3.3Å; P833-T835 PolarHBondContact O-N 2.82Å; T835-S837 PolarHBondContact O-N 3.13Å; T835-S837 VanDerWaalsContact O-N 3.07Å | ||
| 836 | T | 25.2 | Very low | 27 | Very low | 120.5 Ų | 120.5 | 124.3 Ų | 124.3 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | -74.6 | 111.2 | 172.5 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | F834 F838 | F834-T836 VanDerWaalsContact C-N 3.31Å; F834-T836 PolarHBondContact O-N 3.08Å; T836-F838 WeakPolarHBondContact O-CD2 3.31Å; T836-F838 PolarHBondContact O-N 3.16Å; T836-F838 VanDerWaalsContact O-N 3.16Å | ||
| 837 | S | 26.9 | Very low | 27.1 | Very low | 101.25 Ų | 101.25 | 124.5 Ų | 124.5 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -106.3 | 117.7 | 157.9 | 29.2 | 0 | 0 | 0 | 0 | 110.6 | T835 S839 | T835-S837 PolarHBondContact O-N 3.13Å; T835-S837 VanDerWaalsContact O-N 3.07Å; S837-S839 PolarHBondContact O-N 2.99Å; S837-S839 VanDerWaalsContact O-N 3.09Å | ||
| 838 | F | 24.9 | Very low | 27.1 | Very low | 169.75 Ų | 169.75 | 124.8 Ų | 124.8 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | trans | -13.2 | 102.8 | 145.1 | -77 | -89.4 | 0 | 0 | 0 | 114 | T836 L840 | T836-F838 WeakPolarHBondContact O-CD2 3.31Å; T836-F838 PolarHBondContact O-N 3.16Å; T836-F838 VanDerWaalsContact O-N 3.16Å; F838-L840 PolarHBondContact O-N 3.08Å; F838-L840 VanDerWaalsContact O-N 3.12Å | ||
| 839 | S | 25 | Very low | 27.2 | Very low | 112.5 Ų | 112.5 | 125.5 Ų | 125.5 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | trans | -78 | 110.1 | 144.1 | -85.2 | 0 | 0 | 0 | 0 | 112 | S837 M841 | S837-S839 PolarHBondContact O-N 2.99Å; S837-S839 VanDerWaalsContact O-N 3.09Å; S839-M841 PolarHBondContact O-N 3.31Å | ||
| 840 | L | 25.2 | Very low | 27.1 | Very low | 138.25 Ų | 138.25 | 123.9 Ų | 123.9 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | trans | -9 | 112.7 | 148.9 | -111.6 | 116.4 | 0 | 0 | 0 | 111.5 | F838 T842 | F838-L840 PolarHBondContact O-N 3.08Å; F838-L840 VanDerWaalsContact O-N 3.12Å; L840-T842 HydrophobicContact CD2-CG2 3.84Å; L840-T842 HydrophobicContact CG-CG2 3.96Å; L840-T842 PolarHBondContact O-N 3.27Å; L840-T842 VanDerWaalsContact O-N 3.11Å | ||
| 841 | M | 26.6 | Very low | 27.2 | Very low | 184.5 Ų | 184.5 | 122.6 Ų | 122.6 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -97.7 | 126.4 | 141.7 | -88 | -170.6 | 121.7 | 0 | 0 | 111 | S839 | S839-M841 PolarHBondContact O-N 3.31Š| ||
| 842 | T | 26.5 | Very low | 27.1 | Very low | 103.75 Ų | 103.75 | 122.3 Ų | 122.3 | 64% | 0.637 | 73% | 0.729 | S | S | * | * | trans | -129.9 | 120.3 | 175.2 | 52.5 | 0 | 0 | 0 | 0 | 111 | L840 | L840-T842 HydrophobicContact CD2-CG2 3.84Å; L840-T842 HydrophobicContact CG-CG2 3.96Å; L840-T842 PolarHBondContact O-N 3.27Å; L840-T842 VanDerWaalsContact O-N 3.11Å | ||
| 843 | S | 27.8 | Very low | 27 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -133 | 123.3 | 160.9 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | L845 | S843-L845 PolarHBondContact O-N 2.96Š| ||
| 844 | S | 26 | Very low | 26.8 | Very low | 95.25 Ų | 95.25 | 122.5 Ų | 122.5 | 67% | 0.666 | 74% | 0.741 | S | S | * | * | 137.8 | 114.5 | 79.4 | 43.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 845 | L | 27.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | 134.8 | 121.1 | 127.4 | -151.1 | 62.8 | 0 | 0 | 0 | 113.9 | S843 | S843-L845 PolarHBondContact O-N 2.96Š| |||
| 846 | S | 25.7 | Very low | 26.8 | Very low | 77.25 Ų | 77.25 | 117.8 Ų | 117.8 | 54% | 0.54 | 74% | 0.736 | S | S | . | * | 119.2 | 123.2 | 110.4 | -9 | 0 | 0 | 0 | 0 | 112 | |||||
| 847 | T | 28.3 | Very low | 27 | Very low | 113.25 Ų | 113.25 | 122.5 Ų | 122.5 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | trans | 130.4 | 106.7 | 137.4 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 848 | T | 25.9 | Very low | 27.4 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | 71.6 | 139.2 | 87.5 | 25.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 849 | T | 28.4 | Very low | 27.5 | Very low | 119.25 Ų | 119.25 | 123.4 Ų | 123.4 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | 171.5 | 127.9 | 86.2 | -41.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 850 | T | 26 | Very low | 27.6 | Very low | 128.25 Ų | 128.25 | 122.9 Ų | 122.9 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | 96.7 | 134.7 | 121.6 | 22.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 851 | A | 28 | Very low | 27.8 | Very low | 85.25 Ų | 85.25 | 122.6 Ų | 122.6 | 71% | 0.705 | 75% | 0.748 | S | S | * | * | 127.5 | 149.3 | 88.9 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 852 | T | 28.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | trans | -0.9 | 134 | 145 | 55 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 853 | A | 28.5 | Very low | 27.9 | Very low | 95.25 Ų | 95.25 | 119.2 Ų | 119.2 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | -164.9 | 140.4 | 96.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 854 | S | 25.3 | Very low | 28 | Very low | 110.5 Ų | 110.5 | 120 Ų | 120 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 161.5 | 154 | 172.5 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 855 | V | 29.7 | Very low | 28.1 | Very low | 135.25 Ų | 135.25 | 125.2 Ų | 125.2 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | -170.7 | 135.2 | 96.9 | 167.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 856 | A | 26.7 | Very low | 28.2 | Very low | 79.75 Ų | 79.75 | 121.2 Ų | 121.2 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | 48.9 | 151 | 65.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 857 | Y | 30.5 | Very low | 28.2 | Very low | 217.25 Ų | 217.25 | 122.9 Ų | 122.9 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -16.7 | 162.5 | 158.9 | -69.2 | -83.6 | 0 | 0 | 0 | 115.9 | E859 | Y857-E859 HydrophobicContact CD1-CB 3.89Š| ||
| 858 | P | 33.5 | Very low | 28.4 | Very low | 121.5 Ų | 121.5 | 126.3 Ų | 126.3 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | -124.6 | 156.4 | 55.2 | 34.4 | -22.8 | 0 | 0 | 0 | 115.7 | |||||
| 859 | E | 27.7 | Very low | 28.4 | Very low | 170.25 Ų | 170.25 | 125.5 Ų | 125.5 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | 37.6 | 123.5 | 129.1 | -170.3 | 172.9 | -152.8 | 0 | 0 | 117.4 | Y857 | Y857-E859 HydrophobicContact CD1-CB 3.89Š| |||
| 860 | S | 28.1 | Very low | 28.3 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 158.6 | 120.8 | 149.5 | -100.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 861 | T | 28.5 | Very low | 28.4 | Very low | 131.25 Ų | 131.25 | 127.7 Ų | 127.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | 136.7 | 138.9 | 75 | 37.8 | 0 | 0 | 0 | 0 | 112.7 | T863 | T861-T863 PolarHBondContact O-N 3.17Š| |||
| 862 | A | 28.3 | Very low | 28.5 | Very low | 86.5 Ų | 86.5 | 129.7 Ų | 129.7 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | 78.6 | 125.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 863 | T | 27.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | 128.5 | 137 | 104.5 | 37.1 | 0 | 0 | 0 | 0 | 115.2 | T861 | T861-T863 PolarHBondContact O-N 3.17Š| |||
| 864 | T | 29.7 | Very low | 28.7 | Very low | 118.75 Ų | 118.75 | 128.9 Ų | 128.9 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | 162.4 | 113 | 137.1 | -64.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 865 | K | 28 | Very low | 28.8 | Very low | 204 Ų | 204 | 130.8 Ų | 130.8 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | 55.6 | 139.8 | 144 | -64.6 | 170.9 | -175 | 179 | 0 | 118.8 | ||||
| 866 | G | 29 | Very low | 28.8 | Very low | 70.5 Ų | 70.5 | 130.9 Ų | 130.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 133.2 | 91.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 867 | S | 26.3 | Very low | 29 | Very low | 112.75 Ų | 112.75 | 134.5 Ų | 134.5 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | 71.8 | 97.6 | 71.7 | -52.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 868 | Q | 31.4 | Very low | 28.9 | Very low | 184.5 Ų | 184.5 | 128.9 Ų | 128.9 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | trans | 170.3 | 125.8 | 156.5 | -79.1 | 169.8 | 79.7 | 0 | 0 | 108.7 | ||||
| 869 | S | 26.1 | Very low | 29.1 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | 85.6 | 132.7 | 51 | 96.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 870 | L | 26.9 | Very low | 29.2 | Very low | 149.5 Ų | 149.5 | 126.3 Ų | 126.3 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 136.3 | 141.8 | 139.3 | -119.3 | 117.6 | 0 | 0 | 0 | 113.3 | ||||
| 871 | L | 27.8 | Very low | 29.4 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 39.6 | 139.1 | 144.1 | -72.2 | 162.9 | 0 | 0 | 0 | 116 | ||||
| 872 | V | 31.3 | Very low | 29.4 | Very low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | 170.6 | 146.3 | 85.4 | 134.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 873 | S | 28.4 | Very low | 29.5 | Very low | 89.5 Ų | 89.5 | 131 Ų | 131 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | trans | -96.4 | 160.1 | 155.8 | -46.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 874 | D | 30.8 | Very low | 29.5 | Very low | 123.25 Ų | 123.25 | 131.5 Ų | 131.5 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | 146.2 | 124.6 | 110.5 | -84.4 | -25.2 | 0 | 0 | 0 | 114.7 | |||||
| 875 | Q | 28.6 | Very low | 29.4 | Very low | 150.75 Ų | 150.75 | 135.3 Ų | 135.3 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | 75.5 | 134.6 | 114.3 | -70.2 | -177.8 | 63.7 | 0 | 0 | 118.1 | |||||
| 876 | L | 29.3 | Very low | 29.5 | Very low | 137.25 Ų | 137.25 | 130.9 Ų | 130.9 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | 95.8 | 128.6 | 107.1 | -74.9 | 174.7 | 0 | 0 | 0 | 113.4 | |||||
| 877 | L | 30.9 | Very low | 29.5 | Very low | 154.75 Ų | 154.75 | 136.8 Ų | 136.8 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | 130.3 | 128.5 | 110.8 | -75.6 | 152 | 0 | 0 | 0 | 115.2 | |||||
| 878 | S | 28.2 | Very low | 29.7 | Very low | 99.5 Ų | 99.5 | 138.4 Ų | 138.4 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | -11.2 | 158.9 | 121.1 | -130.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 879 | P | 38.1 | Very low | 29.8 | Very low | 108.5 Ų | 108.5 | 134.8 Ų | 134.8 | 71% | 0.705 | 73% | 0.729 | S | S | * | * | cis | -124.9 | 157.7 | -4.3 | 30.3 | -12.3 | 0 | 0 | 0 | 113.1 | H881 | P879-H881 PolarHBondContact O-N 3.15Š| ||
| 880 | D | 30.6 | Very low | 30 | Very low | 129.75 Ų | 129.75 | 137.6 Ų | 137.6 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | trans | -158.2 | 126.4 | 148.5 | -78.7 | -39.4 | 0 | 0 | 0 | 115.2 | ||||
| 881 | H | 31.5 | Very low | 30.3 | Very low | 163.5 Ų | 163.5 | 138 Ų | 138 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | 80.8 | 104.6 | 151.5 | -60 | -43.5 | 0 | 0 | 0 | 116.1 | P879 I883 | P879-H881 PolarHBondContact O-N 3.15Å; H881-I883 PolarHBondContact O-N 3.16Å | ||
| 882 | S | 28.3 | Very low | 30.4 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | 65.7 | 120.4 | 90.3 | -0.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 883 | I | 31.2 | Very low | 30.3 | Very low | 149.75 Ų | 149.75 | 136.1 Ų | 136.1 | 77% | 0.768 | 72% | 0.719 | S | S | * | * | -175.9 | 124.8 | 122.1 | -88.8 | 163.9 | 0 | 0 | 0 | 110.5 | H881 | H881-I883 PolarHBondContact O-N 3.16Š| |||
| 884 | L | 27.5 | Very low | 30.3 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | 60.9 | 119.9 | 137.8 | -82.2 | 138.1 | 0 | 0 | 0 | 117.7 | ||||
| 885 | Y | 27.8 | Very low | 30.1 | Very low | 199.5 Ų | 199.5 | 139.4 Ų | 139.4 | 78% | 0.782 | 73% | 0.729 | S | S | * | * | 64.9 | 138 | 99.8 | -79.5 | -101.6 | 0 | 0 | 0 | 116.4 | |||||
| 886 | D | 29 | Very low | 30 | Very low | 110.5 Ų | 110.5 | 138.9 Ų | 138.9 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | 139.5 | 130.1 | 87.1 | -97.8 | -9.1 | 0 | 0 | 0 | 116.5 | |||||
| 887 | F | 29.1 | Very low | 30.1 | Very low | 194.75 Ų | 194.75 | 138.1 Ų | 138.1 | 85% | 0.854 | 73% | 0.731 | S | S | * | * | trans | 121.4 | 99 | 142.1 | -74.4 | -65.7 | 0 | 0 | 0 | 116.9 | ||||
| 888 | L | 31.4 | Very low | 30 | Very low | 146.25 Ų | 146.25 | 138 Ų | 138 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | -56 | 155.3 | 148.3 | -77.1 | 165.8 | 0 | 0 | 0 | 112 | Q890 | L888-Q890 PolarHBondContact O-N 3.16Š| ||
| 889 | P | 32.5 | Very low | 30 | Very low | 109.75 Ų | 109.75 | 139.9 Ų | 139.9 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | cis | -115.7 | 155.6 | 36.8 | 31.7 | -15 | 0 | 0 | 0 | 112.1 | E891 | P889-E891 HydrophobicContact CG-CG 4.49Å; P889-E891 PolarHBondContact O-N 3.48Å | ||
| 890 | Q | 30.2 | Very low | 29.6 | Very low | 155.5 Ų | 155.5 | 141.7 Ų | 141.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -99.7 | 136.1 | 135.9 | -166.6 | 167 | -20.4 | 0 | 0 | 111.1 | L888 D892 | L888-Q890 PolarHBondContact O-N 3.16Å; Q890-D892 PolarHBondContact NE2-OD2 3.05Å; Q890-D892 PolarHBondContact O-N 3.19Å | ||
| 891 | E | 33.2 | Very low | 29.6 | Very low | 158.25 Ų | 158.25 | 142.6 Ų | 142.6 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | -77.2 | 106.9 | 170.6 | -60.3 | 154.1 | 141.2 | 0 | 0 | 110.8 | M810 T811 P889 T893 | M810-E891 HydrophobicContact CE-CG 3.82Å; T811-E891 PolarHBondContact OG1-OE1 3.5Å; P889-E891 HydrophobicContact CG-CG 4.49Å; P889-E891 PolarHBondContact O-N 3.48Å; E891-T893 VanDerWaalsContact C-N 3.26Å; E891-T893 PolarHBondContact O-N 3.41Å | ||
| 892 | D | 30.5 | Very low | 29.4 | Very low | 125.5 Ų | 125.5 | 139.9 Ų | 139.9 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -114.5 | 138.1 | 156.1 | -106.7 | -31.7 | 0 | 0 | 0 | 112.3 | Q890 F894 | Q890-D892 PolarHBondContact NE2-OD2 3.05Å; Q890-D892 PolarHBondContact O-N 3.19Å; D892-F894 HydrophobicContact CB-CD2 4.38Å; D892-F894 HydrophobicContact CB-CE2 4.12Å; D892-F894 PolarHBondContact O-N 3.2Å | ||
| 893 | T | 28.6 | Very low | 29.5 | Very low | 106.5 Ų | 106.5 | 141.6 Ų | 141.6 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | trans | -14.4 | 121.9 | 167.8 | -37.5 | 0 | 0 | 0 | 0 | 114.5 | E891 S895 | E891-T893 VanDerWaalsContact C-N 3.26Å; E891-T893 PolarHBondContact O-N 3.41Å; T893-S895 PolarHBondContact O-N 3.26Å | ||
| 894 | F | 29.4 | Very low | 29.3 | Very low | 183.5 Ų | 183.5 | 141.8 Ų | 141.8 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | -113.2 | 105.2 | 128.9 | -81.5 | -72 | 0 | 0 | 0 | 111.9 | D892 I896 | D892-F894 HydrophobicContact CB-CD2 4.38Å; D892-F894 HydrophobicContact CB-CE2 4.12Å; D892-F894 PolarHBondContact O-N 3.2Å; F894-I896 HydrophobicContact CB-CD1 3.89Å; F894-I896 HydrophobicContact CB-CG1 4.14Å; F894-I896 HydrophobicContact CD1-CD1 3.39Å; F894-I896 HydrophobicContact CD1-CG1 3.66Å; F894-I896 HydrophobicContact CE1-CD1 4.14Å; F894-I896 HydrophobicContact CG-CD1 3.81Å; F894-I896 HydrophobicContact CG-CG1 4.19Å; F894-I896 PolarHBondContact O-N 3.25Å; F894-I896 VanDerWaalsContact O-N 3.13Å | |||
| 895 | S | 25.5 | Very low | 29.3 | Very low | 98.25 Ų | 98.25 | 146.3 Ų | 146.3 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -90.5 | 107.1 | 163.8 | 1.5 | 0 | 0 | 0 | 0 | 110.3 | T893 T897 | T893-S895 PolarHBondContact O-N 3.26Å; S895-T897 VanDerWaalsContact C-N 3.32Å; S895-T897 PolarHBondContact O-N 3.26Å | ||
| 896 | I | 27.4 | Very low | 29.3 | Very low | 140.25 Ų | 140.25 | 141.7 Ų | 141.7 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | trans | -94.6 | 106.2 | 162.9 | -63.8 | 170.7 | 0 | 0 | 0 | 109.2 | F894 L898 | F894-I896 HydrophobicContact CB-CD1 3.89Å; F894-I896 HydrophobicContact CB-CG1 4.14Å; F894-I896 HydrophobicContact CD1-CD1 3.39Å; F894-I896 HydrophobicContact CD1-CG1 3.66Å; F894-I896 HydrophobicContact CE1-CD1 4.14Å; F894-I896 HydrophobicContact CG-CD1 3.81Å; F894-I896 HydrophobicContact CG-CG1 4.19Å; F894-I896 PolarHBondContact O-N 3.25Å; F894-I896 VanDerWaalsContact O-N 3.13Å; I896-L898 VanDerWaalsContact C-N 3.31Å; I896-L898 HydrophobicContact CG2-CB 3.58Å; I896-L898 HydrophobicContact CG2-CD1 3.96Å; I896-L898 HydrophobicContact CG2-CD2 4.41Å; I896-L898 HydrophobicContact CG2-CG 3.94Å; I896-L898 PolarHBondContact O-N 3.03Å | ||
| 897 | T | 30.6 | Very low | 29.4 | Very low | 120.75 Ų | 120.75 | 141.7 Ų | 141.7 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -86 | 133.2 | 166.9 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | S895 N899 | S895-T897 VanDerWaalsContact C-N 3.32Å; S895-T897 PolarHBondContact O-N 3.26Å; T897-N899 VanDerWaalsContact C-N 3.34Å; T897-N899 PolarHBondContact O-N 2.84Å | ||
| 898 | L | 28.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -54.8 | 112.9 | 173.5 | -84.3 | 171.3 | 0 | 0 | 0 | 111.3 | I896 | I896-L898 VanDerWaalsContact C-N 3.31Å; I896-L898 HydrophobicContact CG2-CB 3.58Å; I896-L898 HydrophobicContact CG2-CD1 3.96Å; I896-L898 HydrophobicContact CG2-CD2 4.41Å; I896-L898 HydrophobicContact CG2-CG 3.94Å; I896-L898 PolarHBondContact O-N 3.03Å | ||
| 899 | N | 29.2 | Very low | 29.3 | Very low | 139.75 Ų | 139.75 | 138.9 Ų | 138.9 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | trans | -136.2 | 121.1 | 132.9 | -93.3 | -27.7 | 0 | 0 | 0 | 108 | T897 | T897-N899 VanDerWaalsContact C-N 3.34Å; T897-N899 PolarHBondContact O-N 2.84Å | ||
| 900 | D | 28.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | 122.2 | 121.3 | 129.1 | -93.2 | -15.7 | 0 | 0 | 0 | 113 | |||||
| 901 | I | 30.9 | Very low | 29.2 | Very low | 147.75 Ų | 147.75 | 137.7 Ų | 137.7 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | trans | 149.1 | 96.1 | 142.1 | -58.3 | 171.2 | 0 | 0 | 0 | 111.9 | I903 | I901-I903 HydrophobicContact CG2-CB 4.28Å; I901-I903 HydrophobicContact CG2-CD1 4.01Å; I901-I903 HydrophobicContact CG2-CG1 3.86Å; I901-I903 PolarHBondContact O-N 2.97Å | ||
| 902 | S | 27.6 | Very low | 29 | Very low | 106.5 Ų | 106.5 | 140.5 Ų | 140.5 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -74.2 | 127.1 | 155.8 | 36.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 903 | I | 29.4 | Very low | 28.9 | Very low | 140.75 Ų | 140.75 | 138.5 Ų | 138.5 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -152.4 | 104.6 | 157.7 | -67.9 | 167.5 | 0 | 0 | 0 | 111.4 | I901 R905 | I901-I903 HydrophobicContact CG2-CB 4.28Å; I901-I903 HydrophobicContact CG2-CD1 4.01Å; I901-I903 HydrophobicContact CG2-CG1 3.86Å; I901-I903 PolarHBondContact O-N 2.97Å; I903-R905 PolarHBondContact O-N 3.48Å | ||
| 904 | L | 28.8 | Very low | 29 | Very low | 154.25 Ų | 154.25 | 138.7 Ų | 138.7 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | 37.3 | 113.1 | 137.9 | -64.1 | 174 | 0 | 0 | 0 | 116.5 | S906 | L904-S906 PolarHBondContact O-N 2.88Š| ||
| 905 | R | 27.1 | Very low | 29.1 | Very low | 234.5 Ų | 234.5 | 136.1 Ų | 136.1 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -76.6 | 125.7 | 145.8 | -82.2 | -169.6 | -158.4 | 175.3 | -0.7 | 109.9 | I903 | I903-R905 PolarHBondContact O-N 3.48Š| ||
| 906 | S | 27.6 | Very low | 29.3 | Very low | 102.75 Ų | 102.75 | 138.1 Ų | 138.1 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | 135.9 | 106.1 | 127.4 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | L904 | L904-S906 PolarHBondContact O-N 2.88Š| |||
| 907 | S | 30 | Very low | 29.4 | Very low | 110.5 Ų | 110.5 | 142.3 Ų | 142.3 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | 128.3 | 108 | 95.8 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 908 | E | 29.3 | Very low | 29.3 | Very low | 168.75 Ų | 168.75 | 144.5 Ų | 144.5 | 79% | 0.789 | 77% | 0.765 | S | S | * | * | -145.2 | 119.4 | 127.8 | -118.8 | -178.8 | 145.3 | 0 | 0 | 109.3 | |||||
| 909 | T | 29.2 | Very low | 29.3 | Very low | 113.75 Ų | 113.75 | 144.1 Ų | 144.1 | 70% | 0.698 | 76% | 0.763 | S | S | * | * | 76.2 | 130.6 | 129 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 910 | T | 30.6 | Very low | 29.4 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | -173.2 | 139.9 | 113.2 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 911 | D | 30 | Very low | 29.4 | Very low | 124.25 Ų | 124.25 | 145.1 Ų | 145.1 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 48.9 | 138.1 | 160.2 | -91.4 | -7.9 | 0 | 0 | 0 | 117.6 | ||||
| 912 | R | 29.2 | Very low | 29.3 | Very low | 215.5 Ų | 215.5 | 142.8 Ų | 142.8 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | 178 | 130.4 | 37.9 | -138.4 | 171.3 | -148.8 | 144.5 | 3.7 | 113 | ||||
| 913 | A | 30 | Very low | 29.4 | Very low | 85.25 Ų | 85.25 | 145.3 Ų | 145.3 | 71% | 0.705 | 76% | 0.763 | S | S | * | * | trans | 59.4 | 112.9 | 143.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 914 | S | 29.3 | Very low | 29.5 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | 79.1 | 122 | 113.8 | -103.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 915 | T | 32.2 | Very low | 29.5 | Very low | 128.5 Ų | 128.5 | 144 Ų | 144 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | -161.5 | 120.4 | 69.8 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 916 | D | 28.4 | Very low | 29.6 | Very low | 139.75 Ų | 139.75 | 137.2 Ų | 137.2 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | 76.3 | 116.6 | 82.9 | -167 | 18.8 | 0 | 0 | 0 | 114.3 | |||||
| 917 | R | 30.4 | Very low | 29.8 | Very low | 230 Ų | 230 | 139.2 Ų | 139.2 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | trans | -147.8 | 125.6 | 150.5 | -98.6 | 168.6 | -179.5 | -165.9 | -2.2 | 113.2 | ||||
| 918 | Q | 27.8 | Very low | 29.7 | Very low | 165.5 Ų | 165.5 | 144.6 Ų | 144.6 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -4.9 | 131.6 | 151.9 | -75 | 172.7 | -13.3 | 0 | 0 | 116.5 | ||||
| 919 | L | 29.2 | Very low | 29.9 | Very low | 144.5 Ų | 144.5 | 142.3 Ų | 142.3 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | 55.1 | 133.1 | 120.7 | -87.8 | 148.1 | 0 | 0 | 0 | 117.5 | K921 | L919-K921 HydrophobicContact CD2-CB 4.34Å; L919-K921 HydrophobicContact CD2-CD 3.93Å; L919-K921 HydrophobicContact CD2-CG 3.66Å | |||
| 920 | P | 30.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | -115.2 | 163.9 | 70.4 | 36.9 | -25.9 | 0 | 0 | 0 | 114 | |||||
| 921 | K | 28.8 | Very low | 30.3 | Very low | 187.25 Ų | 187.25 | 144.5 Ų | 144.5 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | -88.6 | 148.8 | 153 | -65 | 175.4 | -179.8 | 178.1 | 0 | 110.1 | L919 | L919-K921 HydrophobicContact CD2-CB 4.34Å; L919-K921 HydrophobicContact CD2-CD 3.93Å; L919-K921 HydrophobicContact CD2-CG 3.66Å | ||
| 922 | S | 29 | Very low | 30.7 | Very low | 100.25 Ų | 100.25 | 141.8 Ų | 141.8 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -165.4 | 141.6 | 146.6 | 67.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 923 | E | 29.9 | Very low | 31.1 | Very low | 158.5 Ų | 158.5 | 136.1 Ų | 136.1 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | -127.5 | 134.8 | 60.6 | -98.4 | 157.8 | 167.6 | 0 | 0 | 110.5 | |||||
| 924 | V | 31.2 | Very low | 31.5 | Very low | 120.25 Ų | 120.25 | 139.4 Ų | 139.4 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | 120.8 | 115.2 | 70.9 | 161.3 | 0 | 0 | 0 | 0 | 108.7 | S926 | V924-S926 PolarHBondContact O-N 3.03Š| |||
| 925 | E | 29.7 | Very low | 31.9 | Very low | 147.25 Ų | 147.25 | 138.3 Ų | 138.3 | 69% | 0.688 | 71% | 0.705 | S | S | * | * | -151.4 | 137.4 | 110.4 | -158.8 | 69.5 | -137.8 | 0 | 0 | 112.4 | N927 | E925-N927 VanDerWaalsContact CD-ND2 3.28Å; E925-N927 WeakPolarHBondContact CG-ND2 3.38Å; E925-N927 PolarHBondContact O-N 2.96Å; E925-N927 VanDerWaalsContact O-N 3.14Å; E925-N927 PolarHBondContact OE1-ND2 2.79Å | |||
| 926 | S | 29.9 | Very low | 32.4 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | 44.5 | 111.1 | 144 | -58.2 | 0 | 0 | 0 | 0 | 115.8 | V924 R928 | V924-S926 PolarHBondContact O-N 3.03Å; S926-R928 PolarHBondContact O-N 3.14Å | ||
| 927 | N | 31.5 | Very low | 33 | Very low | 145.5 Ų | 145.5 | 136.8 Ų | 136.8 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | trans | -162.1 | 96.4 | 138.1 | -86.9 | -41.4 | 0 | 0 | 0 | 113.1 | E925 V929 | E925-N927 VanDerWaalsContact CD-ND2 3.28Å; E925-N927 WeakPolarHBondContact CG-ND2 3.38Å; E925-N927 PolarHBondContact O-N 2.96Å; E925-N927 VanDerWaalsContact O-N 3.14Å; E925-N927 PolarHBondContact OE1-ND2 2.79Å; N927-V929 VanDerWaalsContact C-N 3.32Å; N927-V929 PolarHBondContact O-N 2.91Å; N927-V929 VanDerWaalsContact O-N 3.15Å | ||
| 928 | R | 28.2 | Very low | 33.5 | Very low | 224.25 Ų | 224.25 | 133.3 Ų | 133.3 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | -75.7 | 93.4 | 168.3 | -123.8 | 175 | 173.1 | 174.2 | -2 | 110 | S926 Q930 | S926-R928 PolarHBondContact O-N 3.14Å; R928-Q930 PolarHBondContact O-N 3.45Å | ||
| 929 | V | 32.6 | Very low | 33.7 | Very low | 119.5 Ų | 119.5 | 128.4 Ų | 128.4 | 72% | 0.724 | 68% | 0.679 | S | S | * | * | trans | -81.1 | 119.5 | 147.2 | 172.3 | 0 | 0 | 0 | 0 | 108.1 | N927 D933 | N927-V929 VanDerWaalsContact C-N 3.32Å; N927-V929 PolarHBondContact O-N 2.91Å; N927-V929 VanDerWaalsContact O-N 3.15Å; V929-D933 HydrophobicContact CG1-CB 4.22Å | ||
| 930 | Q | 36.3 | Very low | 33.8 | Very low | 133.75 Ų | 133.75 | 127.9 Ų | 127.9 | 63% | 0.625 | 68% | 0.676 | S | S | * | * | trans | -63.6 | 147.6 | 174.2 | -58.2 | -172.8 | 20.3 | 0 | 0 | 112.4 | R928 T932 D933 F934 | R928-Q930 PolarHBondContact O-N 3.45Å; Q930-T932 VanDerWaalsContact C-N 3.33Å; Q930-T932 HydrophobicContact CB-CG2 4.22Å; Q930-T932 WeakPolarHBondContact CB-OG1 3.39Å; Q930-T932 PolarHBondContact O-N 3.17Å; Q930-T932 PolarHBondContact OE1-OG1 2.88Å; Q930-D933 WeakPolarHBondContact CB-OD2 3.35Å; Q930-D933 PolarHBondContact N-OD2 3.38Å; Q930-D933 PolarHBondContact O-N 3.45Å; Q930-F934 PolarHBondContact O-N 3.47Å | ||
| 931 | L | 32.3 | Very low | 33.8 | Very low | 144.5 Ų | 144.5 | 126.2 Ų | 126.2 | 76% | 0.757 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.1 | 2.9 | -177.9 | -161.5 | 87.4 | 0 | 0 | 0 | 111.9 | D933 F934 L935 | L931-D933 PolarHBondContact O-N 3.41Å; L931-F934 WeakPolarHBondContact O-CB 3.41Å; L931-F934 PolarHBondContact O-N 3.22Å; L931-L935 HydrophobicContact CG-CD1 4.28Å; L931-L935 WeakPolarHBondContact O-CB 3.24Å; L931-L935 WeakPolarHBondContact O-CD1 3.28Å; L931-L935 WeakPolarHBondContact O-CG 3.4Å; L931-L935 PolarHBondContact O-N 3.18Å; L931-L935 VanDerWaalsContact O-N 3.08Å |
| 932 | T | 37.6 | Very low | 34 | Very low | 67.75 Ų | 67.75 | 122.7 Ų | 122.7 | 42% | 0.416 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -83.7 | -41.8 | -177.9 | 5.8 | 0 | 0 | 0 | 0 | 113.3 | Q930 F934 L935 Q936 T941 | Q930-T932 VanDerWaalsContact C-N 3.33Å; Q930-T932 HydrophobicContact CB-CG2 4.22Å; Q930-T932 WeakPolarHBondContact CB-OG1 3.39Å; Q930-T932 PolarHBondContact O-N 3.17Å; Q930-T932 PolarHBondContact OE1-OG1 2.88Å; T932-F934 VanDerWaalsContact C-N 3.3Å; T932-F934 PolarHBondContact O-N 3.21Å; T932-L935 PolarHBondContact O-N 3.26Å; T932-Q936 WeakPolarHBondContact O-CB 3.45Å; T932-Q936 WeakPolarHBondContact O-CG 3.4Å; T932-Q936 PolarHBondContact O-N 3.21Å; T932-T941 HydrophobicContact CG2-CG2 4.14Å |
| 933 | D | 38.4 | Very low | 34 | Very low | 94.75 Ų | 94.75 | 123.4 Ų | 123.4 | 51% | 0.507 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -78.2 | -24.5 | -173 | -60.8 | -29.8 | 0 | 0 | 0 | 112.8 | V929 Q930 L931 L935 Q936 T937 | V929-D933 HydrophobicContact CG1-CB 4.22Å; Q930-D933 WeakPolarHBondContact CB-OD2 3.35Å; Q930-D933 PolarHBondContact N-OD2 3.38Å; Q930-D933 PolarHBondContact O-N 3.45Å; L931-D933 PolarHBondContact O-N 3.41Å; D933-L935 PolarHBondContact O-N 3.49Å; D933-Q936 WeakPolarHBondContact O-CB 3.46Å; D933-Q936 PolarHBondContact O-N 2.9Å; D933-Q936 VanDerWaalsContact O-N 3.17Å; D933-Q936 WeakPolarHBondContact OD1-CG 3.41Å; D933-Q936 PolarHBondContact OD1-NE2 2.89Å; D933-T937 PolarHBondContact O-N 3.18Å; D933-T937 VanDerWaalsContact O-N 3.16Å; D933-T937 PolarHBondContact O-OG1 3.08Å; D933-T937 VanDerWaalsContact O-OG1 3.07Å |
| 934 | F | 38.1 | Very low | 34 | Very low | 155 Ų | 155 | 123.2 Ų | 123.2 | 68% | 0.68 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74 | -26.2 | 173.7 | -151.1 | -93.2 | 0 | 0 | 0 | 112.3 | Q930 L931 T932 Q936 T937 F938 | Q930-F934 PolarHBondContact O-N 3.47Å; L931-F934 WeakPolarHBondContact O-CB 3.41Å; L931-F934 PolarHBondContact O-N 3.22Å; T932-F934 VanDerWaalsContact C-N 3.3Å; T932-F934 PolarHBondContact O-N 3.21Å; F934-Q936 VanDerWaalsContact C-N 3.33Å; F934-Q936 PolarHBondContact O-N 3.36Å; F934-T937 WeakPolarHBondContact O-CB 3.28Å; F934-T937 PolarHBondContact O-N 3.36Å; F934-F938 HydrophobicContact CD1-CD2 4.44Å; F934-F938 HydrophobicContact CD1-CE2 4.26Å; F934-F938 HydrophobicContact CE1-CD2 4.28Å; F934-F938 AromaticContact CE1-CE2 3.74Å; F934-F938 HydrophobicContact CE1-CE2 3.74Å; F934-F938 HydrophobicContact CE2-CE2 4.18Å; F934-F938 AromaticContact CZ-CE2 3.71Å; F934-F938 HydrophobicContact CZ-CE2 3.87Å; F934-F938 WeakPolarHBondContact O-CD2 3.32Å |
| 935 | L | 38.5 | Very low | 34 | Very low | 86.75 Ų | 86.75 | 125.1 Ų | 125.1 | 45% | 0.454 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -85.5 | -13.7 | 176.3 | -67.2 | 173.1 | 0 | 0 | 0 | 112.8 | L931 T932 D933 T937 F938 G939 L940 T941 | L931-L935 HydrophobicContact CG-CD1 4.28Å; L931-L935 WeakPolarHBondContact O-CB 3.24Å; L931-L935 WeakPolarHBondContact O-CD1 3.28Å; L931-L935 WeakPolarHBondContact O-CG 3.4Å; L931-L935 PolarHBondContact O-N 3.18Å; L931-L935 VanDerWaalsContact O-N 3.08Å; T932-L935 PolarHBondContact O-N 3.26Å; D933-L935 PolarHBondContact O-N 3.49Å; L935-T937 VanDerWaalsContact C-N 3.32Å; L935-T937 PolarHBondContact O-N 3.45Å; L935-F938 CarbonylContact O-C 3.4Å; L935-F938 PolarHBondContact O-N 3.08Å; L935-G939 PolarHBondContact O-N 3.15Å; L935-L940 HydrophobicContact CD2-CD1 4.25Å; L935-L940 PolarHBondContact O-N 3.13Å; L935-L940 VanDerWaalsContact O-N 3.11Å; L935-T941 HydrophobicContact CB-CG2 3.86Å |
| 936 | Q | 42.2 | Very low | 34.1 | Very low | 118.5 Ų | 118.5 | 125.9 Ų | 125.9 | 55% | 0.554 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81.8 | -21.8 | 178.6 | -141.9 | 179.9 | 22 | 0 | 0 | 113.1 | T932 D933 F934 F938 G939 L940 T941 | T932-Q936 WeakPolarHBondContact O-CB 3.45Å; T932-Q936 WeakPolarHBondContact O-CG 3.4Å; T932-Q936 PolarHBondContact O-N 3.21Å; D933-Q936 WeakPolarHBondContact O-CB 3.46Å; D933-Q936 PolarHBondContact O-N 2.9Å; D933-Q936 VanDerWaalsContact O-N 3.17Å; D933-Q936 WeakPolarHBondContact OD1-CG 3.41Å; D933-Q936 PolarHBondContact OD1-NE2 2.89Å; F934-Q936 VanDerWaalsContact C-N 3.33Å; F934-Q936 PolarHBondContact O-N 3.36Å; Q936-F938 VanDerWaalsContact C-N 3.27Å; Q936-F938 PolarHBondContact O-N 3.2Å; Q936-G939 PolarHBondContact O-N 3.2Å; Q936-L940 HydrophobicContact CB-CD2 3.7Å; Q936-L940 HydrophobicContact CG-CD2 3.96Å; Q936-L940 VanDerWaalsContact OE1-CA 3.25Å; Q936-T941 HydrophobicContact CB-CG2 4.35Å; Q936-T941 HydrophobicContact CG-CG2 4.15Å; Q936-T941 PolarHBondContact OE1-OG1 2.9Å |
| 937 | T | 41.6 | Very low | 34.1 | Very low | 118.75 Ų | 118.75 | 126.7 Ų | 126.7 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -75.1 | -19.7 | 170.7 | -48.5 | 0 | 0 | 0 | 0 | 112.7 | D933 F934 L935 | D933-T937 PolarHBondContact O-N 3.18Å; D933-T937 VanDerWaalsContact O-N 3.16Å; D933-T937 PolarHBondContact O-OG1 3.08Å; D933-T937 VanDerWaalsContact O-OG1 3.07Å; F934-T937 WeakPolarHBondContact O-CB 3.28Å; F934-T937 PolarHBondContact O-N 3.36Å; L935-T937 VanDerWaalsContact C-N 3.32Å; L935-T937 PolarHBondContact O-N 3.45Å |
| 938 | F | 39.1 | Very low | 34 | Very low | 154.75 Ų | 154.75 | 126.4 Ų | 126.4 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 11.9 | -179 | -74.3 | -77 | 0 | 0 | 0 | 114.7 | F934 L935 Q936 L940 | F934-F938 HydrophobicContact CD1-CD2 4.44Å; F934-F938 HydrophobicContact CD1-CE2 4.26Å; F934-F938 HydrophobicContact CE1-CD2 4.28Å; F934-F938 AromaticContact CE1-CE2 3.74Å; F934-F938 HydrophobicContact CE1-CE2 3.74Å; F934-F938 HydrophobicContact CE2-CE2 4.18Å; F934-F938 AromaticContact CZ-CE2 3.71Å; F934-F938 HydrophobicContact CZ-CE2 3.87Å; F934-F938 WeakPolarHBondContact O-CD2 3.32Å; L935-F938 CarbonylContact O-C 3.4Å; L935-F938 PolarHBondContact O-N 3.08Å; Q936-F938 VanDerWaalsContact C-N 3.27Å; Q936-F938 PolarHBondContact O-N 3.2Å; F938-L940 VanDerWaalsContact C-N 3.29Å; F938-L940 HydrophobicContact CB-CD1 4.27Å; F938-L940 HydrophobicContact CB-CG 4.14Å; F938-L940 PolarHBondContact O-N 3.44Å |
| 939 | G | 32.2 | Very low | 34 | Very low | 64 Ų | 64 | 122.1 Ų | 122.1 | 66% | 0.66 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.4 | 2.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | L935 Q936 T941 | L935-G939 PolarHBondContact O-N 3.15Å; Q936-G939 PolarHBondContact O-N 3.2Å; G939-T941 VanDerWaalsContact C-N 3.32Å; G939-T941 PolarHBondContact O-N 3.19Å |
| 940 | L | 32.5 | Very low | 33.8 | Very low | 134.25 Ų | 134.25 | 123.5 Ų | 123.5 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | trans | -107 | 70.1 | -177 | -59.8 | 177.8 | 0 | 0 | 0 | 114.5 | L935 Q936 F938 | L935-L940 HydrophobicContact CD2-CD1 4.25Å; L935-L940 PolarHBondContact O-N 3.13Å; L935-L940 VanDerWaalsContact O-N 3.11Å; Q936-L940 HydrophobicContact CB-CD2 3.7Å; Q936-L940 HydrophobicContact CG-CD2 3.96Å; Q936-L940 VanDerWaalsContact OE1-CA 3.25Å; F938-L940 VanDerWaalsContact C-N 3.29Å; F938-L940 HydrophobicContact CB-CD1 4.27Å; F938-L940 HydrophobicContact CB-CG 4.14Å; F938-L940 PolarHBondContact O-N 3.44Å | ||
| 941 | T | 31.5 | Very low | 33.4 | Very low | 84.5 Ų | 84.5 | 122.5 Ų | 122.5 | 52% | 0.518 | 68% | 0.68 | S | S | . | * | trans | -131.9 | 122.7 | 176.6 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | T932 L935 Q936 G939 S943 | T932-T941 HydrophobicContact CG2-CG2 4.14Å; L935-T941 HydrophobicContact CB-CG2 3.86Å; Q936-T941 HydrophobicContact CB-CG2 4.35Å; Q936-T941 HydrophobicContact CG-CG2 4.15Å; Q936-T941 PolarHBondContact OE1-OG1 2.9Å; G939-T941 VanDerWaalsContact C-N 3.32Å; G939-T941 PolarHBondContact O-N 3.19Å; T941-S943 PolarHBondContact O-N 3.31Å | ||
| 942 | S | 31.4 | Very low | 33.3 | Very low | 113.75 Ų | 113.75 | 124.1 Ų | 124.1 | 80% | 0.795 | 68% | 0.68 | S | S | * | * | trans | -81.1 | 135.2 | 179.6 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | L944 | S942-L944 PolarHBondContact O-N 3.45Š| ||
| 943 | S | 30.2 | Very low | 32.8 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -94.1 | 126.5 | 161.6 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | T941 | T941-S943 PolarHBondContact O-N 3.31Š| ||
| 944 | L | 30.2 | Very low | 32.3 | Very low | 153.75 Ų | 153.75 | 127.8 Ų | 127.8 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | trans | -120.4 | 136.3 | 156.8 | -104.4 | 83 | 0 | 0 | 0 | 111.7 | S942 E946 | S942-L944 PolarHBondContact O-N 3.45Å; L944-E946 VanDerWaalsContact C-N 3.29Å; L944-E946 PolarHBondContact O-N 2.95Å | ||
| 945 | N | 30 | Very low | 31.9 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | -133.6 | 108.7 | 147.4 | -82.8 | -21.4 | 0 | 0 | 0 | 110.4 | ||||
| 946 | E | 31.7 | Very low | 31.5 | Very low | 164.25 Ų | 164.25 | 129.3 Ų | 129.3 | 77% | 0.768 | 72% | 0.715 | S | S | * | * | trans | -137.2 | 145.2 | 141.5 | -120 | -159.1 | -162.1 | 0 | 0 | 109.5 | L944 I948 | L944-E946 VanDerWaalsContact C-N 3.29Å; L944-E946 PolarHBondContact O-N 2.95Å; E946-I948 HydrophobicContact CG-CD1 4.48Å; E946-I948 PolarHBondContact O-N 3.17Å; E946-I948 VanDerWaalsContact O-N 3.09Å; E946-I948 WeakPolarHBondContact OE2-CG1 3.32Å; E946-I948 PolarHBondContact OE2-N 3.15Å | ||
| 947 | P | 29.6 | Very low | 30.9 | Very low | 108.25 Ų | 108.25 | 127.9 Ų | 127.9 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -108.4 | 140.1 | 175.8 | 35.6 | -25.4 | 0 | 0 | 0 | 113.3 | D949 | P947-D949 PolarHBondContact O-N 2.77Š| ||
| 948 | I | 28.8 | Very low | 30.4 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | trans | -2.7 | 120.2 | 151.5 | -61.2 | 172.8 | 0 | 0 | 0 | 114.1 | E946 L950 | E946-I948 HydrophobicContact CG-CD1 4.48Å; E946-I948 PolarHBondContact O-N 3.17Å; E946-I948 VanDerWaalsContact O-N 3.09Å; E946-I948 WeakPolarHBondContact OE2-CG1 3.32Å; E946-I948 PolarHBondContact OE2-N 3.15Å; I948-L950 VanDerWaalsContact C-N 3.26Å; I948-L950 HydrophobicContact CG2-CD2 3.89Å; I948-L950 HydrophobicContact CG2-CG 4Å; I948-L950 PolarHBondContact O-N 3.39Å | ||
| 949 | D | 29.2 | Very low | 30.1 | Very low | 133.25 Ų | 133.25 | 127.2 Ų | 127.2 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | 11.5 | 110.1 | 157.2 | -88.5 | -23 | 0 | 0 | 0 | 116.5 | P947 V951 | P947-D949 PolarHBondContact O-N 2.77Å; D949-V951 PolarHBondContact O-N 2.87Å | ||
| 950 | L | 28.3 | Very low | 30.1 | Very low | 148.5 Ų | 148.5 | 130.5 Ų | 130.5 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | trans | 57.9 | 105.8 | 131.1 | -75.2 | 170.5 | 0 | 0 | 0 | 116.5 | I948 K952 | I948-L950 VanDerWaalsContact C-N 3.26Å; I948-L950 HydrophobicContact CG2-CD2 3.89Å; I948-L950 HydrophobicContact CG2-CG 4Å; I948-L950 PolarHBondContact O-N 3.39Å; L950-K952 PolarHBondContact O-N 2.83Å | ||
| 951 | V | 28.5 | Very low | 30.2 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | -113.5 | 109.1 | 133.3 | 168 | 0 | 0 | 0 | 0 | 113.1 | D949 | D949-V951 PolarHBondContact O-N 2.87Š| ||
| 952 | K | 28.8 | Very low | 30.3 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | trans | 165.8 | 149.8 | 148.5 | -84.8 | 162.9 | -167.1 | 153.1 | 0 | 113 | L950 | L950-K952 PolarHBondContact O-N 2.83Š| ||
| 953 | S | 28.8 | Very low | 30.2 | Very low | 86.5 Ų | 86.5 | 138.7 Ų | 138.7 | 61% | 0.605 | 73% | 0.731 | S | S | * | * | 135.3 | 119.2 | -110 | 136.8 | 0 | 0 | 0 | 0 | 112.3 | S975 Q976 | S953-S975 WeakPolarHBondContact O-CA 3.45Å; S953-S975 WeakPolarHBondContact O-CB 3.4Å; S953-Q976 WeakPolarHBondContact OG-CA 3.4Å; S953-Q976 PolarHBondContact OG-N 2.97Å | |||
| 954 | L | 26.5 | Very low | 30.2 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | 80 | 122.9 | 86.3 | -140.8 | 71.9 | 0 | 0 | 0 | 113.4 | S975 Q976 | L954-S975 CarbonylContact O-C 3.54Å; L954-Q976 PolarHBondContact O-N 3.07Å | |||
| 955 | V | 29.1 | Very low | 30.3 | Very low | 103.75 Ų | 103.75 | 134.3 Ų | 134.3 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | trans | 99 | 115.2 | 146.4 | 178.8 | 0 | 0 | 0 | 0 | 113.8 | S590 | S590-V955 WeakPolarHBondContact O-CG1 3.35Š| ||
| 956 | K | 31.4 | Very low | 30.3 | Very low | 169.5 Ų | 169.5 | 134 Ų | 134 | 74% | 0.737 | 72% | 0.721 | S | S | * | * | 99.8 | 134 | 122.7 | -84.5 | 168.4 | 176.3 | -178.7 | 0 | 114.5 | D587 L588 S589 | D587-K956 PolarHBondContact O-NZ 2.89Å; L588-K956 WeakPolarHBondContact O-CE 3.46Å; L588-K956 PolarHBondContact O-NZ 2.8Å; S589-K956 VanDerWaalsContact N-CE 3.31Å | |||
| 957 | S | 29.4 | Very low | 30.1 | Very low | 88.5 Ų | 88.5 | 134.7 Ų | 134.7 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | cis | -157.3 | 164.8 | 17.3 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | S589 S590 | S589-S957 WeakPolarHBondContact CA-OG 3.4Å; S589-S957 WeakPolarHBondContact CB-OG 3.27Å; S590-S957 PolarHBondContact N-OG 2.84Å | ||
| 958 | N | 30.3 | Very low | 30.3 | Very low | 118.25 Ų | 118.25 | 136.6 Ų | 136.6 | 63% | 0.632 | 73% | 0.726 | S | S | * | * | trans | 91.2 | 128.1 | 139.8 | -118.1 | 41.4 | 0 | 0 | 0 | 115.1 | S590 | S590-N958 PolarHBondContact N-OD1 2.93Š| ||
| 959 | E | 33.7 | Very low | 30.4 | Very low | 140.75 Ų | 140.75 | 136.7 Ų | 136.7 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | 126.3 | 144.7 | 65.5 | -1.6 | -161.7 | 146.2 | 0 | 0 | 115.4 | K592 | K592-E959 VanDerWaalsContact CE-OE1 3.26Å; K592-E959 WeakPolarHBondContact CE-OE1 3.2Å; K592-E959 WeakPolarHBondContact CE-OE2 3.45Å; K592-E959 IonicContact NZ-OE1 3.9Å; K592-E959 PolarHBondContact NZ-OE1 2.88Å; K592-E959 IonicContact NZ-OE2 2.88Å; K592-E959 PolarHBondContact NZ-OE2 3.31Å | |||
| 960 | N | 32.3 | Very low | 30.5 | Very low | 133.25 Ų | 133.25 | 137.2 Ų | 137.2 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | -155.5 | 161.7 | 61 | -87.2 | -1.9 | 0 | 0 | 0 | 112.3 | |||||
| 961 | E | 34.2 | Very low | 30.7 | Very low | 170.5 Ų | 170.5 | 137.7 Ų | 137.7 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | 72.4 | 134 | 132.8 | -77.8 | -178.4 | -135.4 | 0 | 0 | 118.2 | ||||
| 962 | T | 32.9 | Very low | 30.9 | Very low | 106.5 Ų | 106.5 | 135.8 Ų | 135.8 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | cis | 174.5 | 148.7 | 14.6 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 963 | Y | 29.3 | Very low | 31 | Very low | 227.75 Ų | 227.75 | 132.4 Ų | 132.4 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | 42.5 | 139.3 | 162.4 | -76.3 | -76.7 | 0 | 0 | 0 | 117.5 | ||||
| 964 | G | 32.1 | Very low | 31.2 | Very low | 70.25 Ų | 70.25 | 137.1 Ų | 137.1 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | 155.8 | 113.5 | 76 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 965 | S | 31 | Very low | 31.4 | Very low | 105.5 Ų | 105.5 | 133.9 Ų | 133.9 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -96.4 | 147.4 | -169.2 | 3.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 966 | L | 29.8 | Very low | 31.5 | Very low | 153.75 Ų | 153.75 | 135.3 Ų | 135.3 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | 173.9 | 134.7 | 78.5 | -76.9 | 178.7 | 0 | 0 | 0 | 110.5 | |||||
| 967 | F | 29 | Very low | 31.4 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | -90.4 | 158 | 156.6 | -88.9 | -86.1 | 0 | 0 | 0 | 114.6 | ||||
| 968 | L | 32 | Very low | 31.4 | Very low | 148.5 Ų | 148.5 | 138.4 Ų | 138.4 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | trans | -147.9 | 147.1 | 160.8 | -106.7 | 121.8 | 0 | 0 | 0 | 111.4 | ||||
| 969 | D | 31.4 | Very low | 31.3 | Very low | 140.75 Ų | 140.75 | 139 Ų | 139 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | 32.5 | 128.2 | 154.6 | -45.3 | -40.4 | 0 | 0 | 0 | 116.2 | ||||
| 970 | D | 32.6 | Very low | 31 | Very low | 145.5 Ų | 145.5 | 138.5 Ų | 138.5 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | 171.6 | 154.5 | 102.2 | -149.6 | 20.9 | 0 | 0 | 0 | 115.3 | |||||
| 971 | L | 31 | Very low | 30.9 | Very low | 157.5 Ų | 157.5 | 138.1 Ų | 138.1 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -89.2 | 118 | -178.2 | -105.8 | 94 | 0 | 0 | 0 | 118.5 | S973 | L971-S973 PolarHBondContact O-N 3.46Š| ||
| 972 | G | 32.9 | Very low | 30.6 | Very low | 74.75 Ų | 74.75 | 134.4 Ų | 134.4 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | trans | 137.3 | 124.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 973 | S | 31.5 | Very low | 30.3 | Very low | 105.25 Ų | 105.25 | 134.4 Ų | 134.4 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -126.4 | 130.8 | 175.5 | -66 | 0 | 0 | 0 | 0 | 116.2 | L971 | L971-S973 PolarHBondContact O-N 3.46Š| ||
| 974 | K | 32.8 | Very low | 30.2 | Very low | 185.5 Ų | 185.5 | 129 Ų | 129 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | 127.8 | 145.4 | 143 | -84.9 | 150.6 | -172.9 | 168.7 | 0 | 115.3 | L388 | L388-K974 HydrophobicContact CD2-CB 4.02Å; L388-K974 HydrophobicContact CD2-CD 4.11Å; L388-K974 HydrophobicContact CD2-CG 3.69Å | ||
| 975 | S | 30.6 | Very low | 30 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | 141.8 | 157.2 | 116.8 | 65.4 | 0 | 0 | 0 | 0 | 112 | L388 S953 L954 | L388-S975 WeakPolarHBondContact CD2-O 3.49Å; L388-S975 WeakPolarHBondContact CG-O 3.41Å; S953-S975 WeakPolarHBondContact O-CA 3.45Å; S953-S975 WeakPolarHBondContact O-CB 3.4Å; L954-S975 CarbonylContact O-C 3.54Å | |||
| 976 | Q | 31.1 | Very low | 29.8 | Very low | 133.5 Ų | 133.5 | 134.9 Ų | 134.9 | 62% | 0.624 | 73% | 0.734 | S | S | * | * | cis | 176 | 154.7 | 27.9 | -170.1 | 94.6 | -0.2 | 0 | 0 | 111.5 | T387 L388 S953 L954 F978 | T387-Q976 WeakPolarHBondContact CA-O 3.38Å; T387-Q976 WeakPolarHBondContact O-CG 3.34Å; L388-Q976 HydrophobicContact CG-CB 4.45Å; S953-Q976 WeakPolarHBondContact OG-CA 3.4Å; S953-Q976 PolarHBondContact OG-N 2.97Å; L954-Q976 PolarHBondContact O-N 3.07Å; Q976-F978 HydrophobicContact CG-CD2 4.15Å; Q976-F978 HydrophobicContact CG-CE2 4.42Å; Q976-F978 PolarHBondContact O-N 3.36Å | ||
| 977 | K | 29.8 | Very low | 29.8 | Very low | 157 Ų | 157 | 132 Ų | 132 | 68% | 0.683 | 73% | 0.732 | S | S | * | * | trans | 82.6 | 145.5 | 164.1 | -74.6 | 178.5 | -170.6 | 174.7 | 0 | 115.7 | T387 | T387-K977 VanDerWaalsContact O-CD 3.25Å; T387-K977 WeakPolarHBondContact O-CD 3.3Å; T387-K977 VanDerWaalsContact O-CE 3.29Å; T387-K977 WeakPolarHBondContact O-CE 3.43Å; T387-K977 PolarHBondContact O-NZ 3.39Å | ||
| 978 | F | 29.2 | Very low | 29.6 | Very low | 164.75 Ų | 164.75 | 129.1 Ų | 129.1 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | -160.5 | 160.5 | 61.9 | -125.4 | -75.2 | 0 | 0 | 0 | 110.7 | F384 A385 Q976 | F384-F978 CarbonylContact C-O 3.2Å; F384-F978 VanDerWaalsContact CA-O 3.26Å; F384-F978 WeakPolarHBondContact CA-O 3.21Å; F384-F978 PolarHBondContact N-O 3.14Å; A385-F978 CarbonylContact C-O 3.28Å; A385-F978 PolarHBondContact N-O 3.09Å; A385-F978 CarbonylContact O-C 3.43Å; A385-F978 VanDerWaalsContact O-CB 3.23Å; A385-F978 WeakPolarHBondContact O-CB 3.34Å; A385-F978 PolarHBondContact O-N 3.44Å; A385-F978 VanDerWaalsContact O-O 3.07Å; Q976-F978 HydrophobicContact CG-CD2 4.15Å; Q976-F978 HydrophobicContact CG-CE2 4.42Å; Q976-F978 PolarHBondContact O-N 3.36Å | |||
| 979 | L | 27.6 | Very low | 29.4 | Very low | 132.5 Ų | 132.5 | 127.8 Ų | 127.8 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | trans | 29.1 | 132.4 | 169.9 | -137.6 | 75.8 | 0 | 0 | 0 | 117.5 | S383 F384 | S383-L979 CarbonylContact C-O 3.57Å; F384-L979 VanDerWaalsContact N-C 3.32Å; F384-L979 PolarHBondContact N-O 3Å | ||
| 980 | D | 28.8 | Very low | 29.2 | Very low | 129.5 Ų | 129.5 | 126.6 Ų | 126.6 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | 152.9 | 144.3 | 122 | -73.3 | -35 | 0 | 0 | 0 | 118.5 | |||||
| 981 | T | 29.7 | Very low | 29 | Very low | 125.25 Ų | 125.25 | 126.9 Ų | 126.9 | 77% | 0.768 | 73% | 0.729 | S | S | * | * | trans | -105.3 | 157.4 | 169.6 | 27.9 | 0 | 0 | 0 | 0 | 118.7 | G381 G382 | G381-T981 VanDerWaalsContact C-C 3.46Å; G381-T981 CarbonylContact C-O 2.78Å; G381-T981 CarbonylContact O-C 3.55Å; G381-T981 VanDerWaalsContact O-C 3.28Å; G382-T981 CarbonylContact C-O 3.58Å; G382-T981 WeakPolarHBondContact CA-O 3.49Å; G382-T981 VanDerWaalsContact N-C 3.25Å; G382-T981 PolarHBondContact N-O 2.94Å; G382-T981 PolarHBondContact O-N 2.9Å; G382-T981 VanDerWaalsContact O-O 3.1Å | ||
| 982 | S | 26.6 | Very low | 28.7 | Very low | 92 Ų | 92 | 123.5 Ų | 123.5 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | trans | -145.2 | 160 | 177.9 | 130.5 | 0 | 0 | 0 | 0 | 113.7 | G381 | G381-S982 VanDerWaalsContact O-CA 3.31Å; G381-S982 WeakPolarHBondContact O-CA 3.43Å; G381-S982 WeakPolarHBondContact O-CB 3.21Å; G381-S982 PolarHBondContact O-N 3.21Å | ||
| 983 | T | 27.9 | Very low | 28.4 | Very low | 106.5 Ų | 106.5 | 125.6 Ų | 125.6 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | trans | 65.7 | 129.4 | 141.9 | -48.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 984 | T | 27.3 | Very low | 28.3 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | 35.1 | 152.1 | 133.1 | 36.6 | 0 | 0 | 0 | 0 | 117.6 | M380 | M380-T984 WeakPolarHBondContact CE-O 3.11Š| ||
| 985 | Q | 27.6 | Very low | 28 | Very low | 174 Ų | 174 | 121 Ų | 121 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | -161.2 | 151.6 | 54.4 | -132.9 | 170 | 58.8 | 0 | 0 | 112.7 | A987 | Q985-A987 PolarHBondContact O-N 3.49Š| |||
| 986 | T | 25.9 | Very low | 27.8 | Very low | 126.75 Ų | 126.75 | 122.6 Ų | 122.6 | 78% | 0.778 | 72% | 0.719 | S | S | * | * | trans | 4.2 | 121.4 | 152.1 | -50.5 | 0 | 0 | 0 | 0 | 117.2 | V988 | T986-V988 HydrophobicContact CG2-CG2 3.95Š| ||
| 987 | A | 30 | Very low | 27.6 | Very low | 91.75 Ų | 91.75 | 121.7 Ų | 121.7 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | -151.8 | 123 | 129.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q985 | Q985-A987 PolarHBondContact O-N 3.49Š| |||
| 988 | V | 25.8 | Very low | 27.5 | Very low | 118.75 Ų | 118.75 | 120.3 Ų | 120.3 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | 70.8 | 97.3 | 60 | -175 | 0 | 0 | 0 | 0 | 115 | T986 T990 | T986-V988 HydrophobicContact CG2-CG2 3.95Å; V988-T990 PolarHBondContact O-N 3.03Å; V988-T990 PolarHBondContact O-OG1 2.64Å | |||
| 989 | C | 27.4 | Very low | 27.4 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -166.3 | 110.5 | 139.9 | -128.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 990 | T | 26.2 | Very low | 27.5 | Very low | 114.75 Ų | 114.75 | 117.4 Ų | 117.4 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | 52.6 | 143.1 | 96 | -35.1 | 0 | 0 | 0 | 0 | 113.9 | V988 | V988-T990 PolarHBondContact O-N 3.03Å; V988-T990 PolarHBondContact O-OG1 2.64Å | |||
| 991 | I | 28.7 | Very low | 27.4 | Very low | 151.25 Ų | 151.25 | 116.4 Ų | 116.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 106.2 | 133.6 | 147.5 | -47 | 166.8 | 0 | 0 | 0 | 115.1 | L1023 | I991-L1023 HydrophobicContact CG2-CD2 4.24Š| ||
| 992 | S | 26 | Very low | 27.8 | Very low | 87.25 Ų | 87.25 | 116.2 Ų | 116.2 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | -116.8 | 161.7 | 114.5 | -80.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 993 | T | 26.8 | Very low | 28 | Very low | 118.75 Ų | 118.75 | 116.3 Ų | 116.3 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | 64.5 | 145.9 | 129.3 | 15 | 0 | 0 | 0 | 0 | 117.1 | D1021 S1022 | T993-D1021 HydrophobicContact CG2-CB 4.47Å; T993-S1022 PolarHBondContact OG1-O 3.21Å | |||
| 994 | A | 27.6 | Very low | 28 | Very low | 84 Ų | 84 | 121.2 Ų | 121.2 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | cis | 136.9 | 141.4 | 46.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 995 | S | 26.8 | Very low | 28.1 | Very low | 109.5 Ų | 109.5 | 120.3 Ų | 120.3 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | 56.5 | 147.2 | 126.2 | -37.6 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 996 | T | 27.4 | Very low | 28.2 | Very low | 122.5 Ų | 122.5 | 121.3 Ų | 121.3 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | -160.9 | 143.9 | 98.8 | -19.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 997 | T | 26.9 | Very low | 28.4 | Very low | 114.25 Ų | 114.25 | 120.2 Ų | 120.2 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 9.4 | 146.3 | 133.7 | 51.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 998 | T | 28 | Very low | 28.5 | Very low | 126.75 Ų | 126.75 | 123.1 Ų | 123.1 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | 118.1 | 138.8 | 118.4 | 46 | 0 | 0 | 0 | 0 | 117 | |||||
| 999 | S | 26.8 | Very low | 28.7 | Very low | 100.5 Ų | 100.5 | 123.1 Ų | 123.1 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | 104.2 | 137.4 | 91.8 | 59.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 1000 | T | 29.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 124.4 | 136.8 | 141.2 | -13.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1001 | S | 27.7 | Very low | 28.8 | Very low | 108.8 Ų | 108.8 | 122.6 Ų | 122.6 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -26.7 | 170 | 160.1 | 67.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1002 | P | 38.1 | Very low | 28.8 | Very low | 121.4 Ų | 121.4 | 121.4 Ų | 121.4 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | trans | -124.7 | 175.9 | -135.6 | 42.3 | -30.5 | 0 | 0 | 0 | 116.9 | ||||
| 1003 | A | 29.5 | Very low | 28.8 | Very low | 94.6 Ų | 94.6 | 124.8 Ų | 124.8 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | 157.4 | 139.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1004 | K | 28.3 | Very low | 28.8 | Very low | 208.6 Ų | 208.6 | 124.1 Ų | 124.1 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | 32 | 126.6 | 163.6 | -83.1 | 168 | 179.1 | 173.1 | 0 | 118.3 | ||||
| 1005 | A | 30 | Very low | 28.8 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | -170.5 | 140.7 | 124.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1006 | K | 29.1 | Very low | 28.9 | Very low | 194.4 Ų | 194.4 | 130 Ų | 130 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | 81.2 | 127.4 | 116.2 | -87.4 | -163.6 | 180 | 179.6 | 0 | 116.9 | |||||
| 1007 | S | 30.4 | Very low | 28.9 | Very low | 105.4 Ų | 105.4 | 128.5 Ų | 128.5 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | 146.2 | 142 | 123.9 | 98.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1008 | H | 31.3 | Very low | 29 | Very low | 152.2 Ų | 152.2 | 132 Ų | 132 | 71% | 0.705 | 77% | 0.765 | S | S | * | * | 65.2 | 125.6 | 117.8 | -87.3 | -84 | 0 | 0 | 0 | 117.2 | T1010 | H1008-T1010 PolarHBondContact ND1-OG1 3.38Š| |||
| 1009 | V | 30 | Very low | 29 | Very low | 119.2 Ų | 119.2 | 131.5 Ų | 131.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | -63.9 | 131.7 | 97.7 | 170.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1010 | T | 28.9 | Very low | 29.2 | Very low | 110.6 Ų | 110.6 | 134.4 Ų | 134.4 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | 108.3 | 137.2 | 104.7 | -27.3 | 0 | 0 | 0 | 0 | 114.4 | H1008 | H1008-T1010 PolarHBondContact ND1-OG1 3.38Š| |||
| 1011 | T | 28.1 | Very low | 29.1 | Very low | 112.8 Ų | 112.8 | 134.2 Ų | 134.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | -83 | 145.3 | 112.1 | 12.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1012 | T | 27.7 | Very low | 29.1 | Very low | 126.8 Ų | 126.8 | 134.1 Ų | 134.1 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | 146.9 | 142 | 123.2 | 38.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1013 | L | 26 | Very low | 28.6 | Very low | 157.8 Ų | 157.8 | 134.8 Ų | 134.8 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | 39.8 | 138.6 | 147.4 | -84.7 | 138.1 | 0 | 0 | 0 | 114.6 | ||||
| 1014 | S | 27.4 | Very low | 28.6 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | 177.2 | 130.3 | 121.6 | -39.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1015 | E | 27.6 | Very low | 28.6 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | 65.2 | 137.6 | 108.7 | -123.1 | -176.8 | 160.9 | 0 | 0 | 118 | |||||
| 1016 | I | 28.1 | Very low | 28.5 | Very low | 148.8 Ų | 148.8 | 136.7 Ų | 136.7 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | 79.7 | 120.2 | 149 | -69.5 | 160.9 | 0 | 0 | 0 | 114.1 | ||||
| 1017 | S | 27.3 | Very low | 28.5 | Very low | 90.8 Ų | 90.8 | 136.8 Ų | 136.8 | 64% | 0.635 | 74% | 0.74 | S | S | * | * | -176.7 | 133.7 | 51.7 | -81.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1018 | K | 29.2 | Very low | 28.3 | Very low | 187.8 Ų | 187.8 | 138.4 Ų | 138.4 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 101.2 | 122.7 | 138.6 | -72.4 | 158.3 | -173 | 176.2 | 0 | 116.2 | ||||
| 1019 | T | 28.3 | Very low | 28.2 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | -175.5 | 142.2 | 94 | 35.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1020 | H | 30 | Very low | 28 | Very low | 160.6 Ų | 160.6 | 136.4 Ų | 136.4 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | 83.4 | 122.1 | 129.9 | -86.2 | -73.8 | 0 | 0 | 0 | 117.2 | |||||
| 1021 | D | 27.9 | Very low | 28 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | 53.7 | 117.6 | 129.1 | -56.8 | -29.8 | 0 | 0 | 0 | 119.7 | T993 | T993-D1021 HydrophobicContact CG2-CB 4.47Š| |||
| 1022 | S | 28.4 | Very low | 28 | Very low | 106.8 Ų | 106.8 | 136.4 Ų | 136.4 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | 68.1 | 134.4 | 128.2 | 165 | 0 | 0 | 0 | 0 | 115.5 | T993 F1024 | T993-S1022 PolarHBondContact OG1-O 3.21Å; S1022-F1024 PolarHBondContact O-N 2.96Å | |||
| 1023 | L | 27.9 | Very low | 28 | Very low | 135.8 Ų | 135.8 | 141.1 Ų | 141.1 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -146.7 | 118.7 | 168 | -77.8 | 171.7 | 0 | 0 | 0 | 111.4 | I991 | I991-L1023 HydrophobicContact CG2-CD2 4.24Š| ||
| 1024 | F | 28.9 | Very low | 28 | Very low | 196.4 Ų | 196.4 | 142.8 Ų | 142.8 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | 106 | 121.9 | 153.2 | -75.5 | -88.9 | 0 | 0 | 0 | 114.9 | S1022 | S1022-F1024 PolarHBondContact O-N 2.96Š| ||
| 1025 | S | 28.3 | Very low | 27.9 | Very low | 84.4 Ų | 84.4 | 143.1 Ų | 143.1 | 59% | 0.59 | 75% | 0.753 | S | S | * | * | 108.9 | 138 | 79.1 | -162.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1026 | H | 27.7 | Very low | 28 | Very low | 157.6 Ų | 157.6 | 141.7 Ų | 141.7 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | 58.1 | 126.9 | 150.3 | -56.6 | -74.2 | 0 | 0 | 0 | 117.5 | ||||
| 1027 | F | 28.8 | Very low | 27.9 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | -132.2 | 124.2 | 108.1 | -105.8 | -88.2 | 0 | 0 | 0 | 109.6 | K650 A1029 | K650-F1027 HydrophobicContact CB-CZ 4.37Å; F1027-A1029 HydrophobicContact CD1-CB 4.06Å | |||
| 1028 | N | 27.3 | Very low | 27.9 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -100.3 | 121.3 | 155 | -156.2 | 5.1 | 0 | 0 | 0 | 112.5 | ||||
| 1029 | A | 29.1 | Very low | 27.9 | Very low | 89.8 Ų | 89.8 | 137.5 Ų | 137.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -148.3 | 111.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1027 | F1027-A1029 HydrophobicContact CD1-CB 4.06Š| ||
| 1030 | N | 25.8 | Very low | 27.9 | Very low | 139.6 Ų | 139.6 | 137.1 Ų | 137.1 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -51.6 | 132.4 | 169.1 | -94.1 | -25.6 | 0 | 0 | 0 | 115.7 | S1032 | N1030-S1032 PolarHBondContact O-N 2.84Š| ||
| 1031 | V | 28 | Very low | 27.9 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 38.2 | 123 | 141.4 | 179.1 | 0 | 0 | 0 | 0 | 114.1 | R1033 | V1031-R1033 PolarHBondContact O-N 3.16Å; V1031-R1033 VanDerWaalsContact O-N 3.1Å | ||
| 1032 | S | 27.8 | Very low | 27.9 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | -123.7 | 139.4 | 119.9 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | N1030 | N1030-S1032 PolarHBondContact O-N 2.84Š| |||
| 1033 | R | 27.4 | Very low | 28 | Very low | 225.6 Ų | 225.6 | 139.7 Ų | 139.7 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 104.2 | 146.7 | -67.4 | -179.2 | -168.7 | 177.3 | 1.9 | 112.5 | V1031 S1035 | V1031-R1033 PolarHBondContact O-N 3.16Å; V1031-R1033 VanDerWaalsContact O-N 3.1Å; R1033-S1035 PolarHBondContact O-N 3.41Å | ||
| 1034 | F | 27.2 | Very low | 28 | Very low | 193.6 Ų | 193.6 | 137.5 Ų | 137.5 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | trans | -69.9 | 134.4 | 136.4 | -84 | -77.1 | 0 | 0 | 0 | 113.6 | V1036 | F1034-V1036 VanDerWaalsContact C-N 3.26Å; F1034-V1036 PolarHBondContact O-N 3.35Å; F1034-V1036 VanDerWaalsContact O-N 3.09Å | ||
| 1035 | S | 25.8 | Very low | 28 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -114.9 | 135 | 162.2 | -73.6 | 0 | 0 | 0 | 0 | 112.5 | R1033 | R1033-S1035 PolarHBondContact O-N 3.41Š| ||
| 1036 | V | 29.2 | Very low | 28.1 | Very low | 138.2 Ų | 138.2 | 135.1 Ų | 135.1 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -179.8 | 135.8 | 147.5 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | F1034 A1038 | F1034-V1036 VanDerWaalsContact C-N 3.26Å; F1034-V1036 PolarHBondContact O-N 3.35Å; F1034-V1036 VanDerWaalsContact O-N 3.09Å; V1036-A1038 PolarHBondContact O-N 3.49Å | ||
| 1037 | G | 25.7 | Very low | 28.4 | Very low | 70.2 Ų | 70.2 | 133.8 Ų | 133.8 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | 163.2 | 122.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1038 | A | 28 | Very low | 28.5 | Very low | 103.8 Ų | 103.8 | 130.5 Ų | 130.5 | 86% | 0.858 | 75% | 0.748 | S | S | * | * | trans | -95.4 | 136.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1036 | V1036-A1038 PolarHBondContact O-N 3.49Š| ||
| 1039 | E | 28 | Very low | 28.6 | Very low | 165.4 Ų | 165.4 | 134.6 Ų | 134.6 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -101.2 | 152.2 | 165.7 | -97.7 | -135.5 | 130.5 | 0 | 0 | 112.6 | I1041 | E1039-I1041 PolarHBondContact O-N 3.12Å; E1039-I1041 WeakPolarHBondContact OE1-CA 3.25Å; E1039-I1041 WeakPolarHBondContact OE1-CG1 3.14Å; E1039-I1041 PolarHBondContact OE1-N 3.16Å | ||
| 1040 | P | 29.7 | Very low | 28.6 | Very low | 110.8 Ų | 110.8 | 135.2 Ų | 135.2 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -107.3 | 121.6 | 151.6 | 25.2 | -12.2 | 0 | 0 | 0 | 114.1 | H1042 | P1040-H1042 PolarHBondContact O-N 3.36Š| ||
| 1041 | I | 29 | Very low | 28.7 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -84.9 | 117.3 | 156.8 | -59.8 | 179.9 | 0 | 0 | 0 | 114.1 | E1039 I1043 | E1039-I1041 PolarHBondContact O-N 3.12Å; E1039-I1041 WeakPolarHBondContact OE1-CA 3.25Å; E1039-I1041 WeakPolarHBondContact OE1-CG1 3.14Å; E1039-I1041 PolarHBondContact OE1-N 3.16Å; I1041-I1043 HydrophobicContact CG2-CG1 4.23Å; I1041-I1043 PolarHBondContact O-N 2.99Å; I1041-I1043 VanDerWaalsContact O-N 3.14Å | ||
| 1042 | H | 28.6 | Very low | 28.5 | Very low | 161.2 Ų | 161.2 | 133.1 Ų | 133.1 | 75% | 0.746 | 75% | 0.754 | S | S | * | * | trans | -27 | 143.5 | 161.7 | -87 | -125.3 | 0 | 0 | 0 | 118.2 | P1040 N1082 | P1040-H1042 PolarHBondContact O-N 3.36Å; H1042-N1082 PolarHBondContact CD2-ND2 3.46Å; H1042-N1082 VanDerWaalsContact CD2-ND2 3.31Å; H1042-N1082 PolarHBondContact CE1-OD1 3.48Å; H1042-N1082 PolarHBondContact ND1-ND2 2.96Å; H1042-N1082 PolarHBondContact ND1-OD1 3.37Å | ||
| 1043 | I | 29.3 | Very low | 28.5 | Very low | 147.8 Ų | 147.8 | 133.8 Ų | 133.8 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | -89.1 | 108.9 | 149.7 | -54.9 | 170 | 0 | 0 | 0 | 112.1 | I1041 S1045 C1080 | I1041-I1043 HydrophobicContact CG2-CG1 4.23Å; I1041-I1043 PolarHBondContact O-N 2.99Å; I1041-I1043 VanDerWaalsContact O-N 3.14Å; I1043-S1045 PolarHBondContact O-N 2.89Å; I1043-C1080 HydrophobicContact CG2-CB 4.35Å; I1043-C1080 WeakPolarHBondContact CG2-SG 3.41Å | ||
| 1044 | A | 27.6 | Very low | 28.6 | Very low | 88.4 Ų | 88.4 | 128.3 Ų | 128.3 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | trans | -50.4 | 126.7 | 134.3 | 0 | 0 | 0 | 0 | 0 | 114 | L1046 | A1044-L1046 PolarHBondContact O-N 2.91Š| ||
| 1045 | S | 29.4 | Very low | 28.9 | Very low | 98.8 Ų | 98.8 | 126.9 Ų | 126.9 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | 57.3 | 126.6 | 107.7 | 43.8 | 0 | 0 | 0 | 0 | 115 | I1043 D1047 | I1043-S1045 PolarHBondContact O-N 2.89Å; S1045-D1047 PolarHBondContact O-N 3.19Å | |||
| 1046 | L | 31.4 | Very low | 29.2 | Very low | 132.4 Ų | 132.4 | 126.2 Ų | 126.2 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | 147.8 | 116.8 | 125.2 | -152.7 | 61.5 | 0 | 0 | 0 | 111.9 | A1044 Q1048 | A1044-L1046 PolarHBondContact O-N 2.91Å; L1046-Q1048 HydrophobicContact CD1-CB 4.07Å; L1046-Q1048 HydrophobicContact CD1-CG 4.1Å; L1046-Q1048 HydrophobicContact CG-CB 4.21Å; L1046-Q1048 HydrophobicContact CG-CG 4.39Å; L1046-Q1048 PolarHBondContact O-N 3.34Å | |||
| 1047 | D | 33.2 | Very low | 29.4 | Very low | 130.4 Ų | 130.4 | 124.7 Ų | 124.7 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | trans | -91.1 | 125.9 | 151.4 | -125.7 | -3.2 | 0 | 0 | 0 | 112.1 | S1045 W1049 | S1045-D1047 PolarHBondContact O-N 3.19Å; D1047-W1049 PolarHBondContact O-N 3.49Å; D1047-W1049 PolarHBondContact OD1-NE1 3.35Å; D1047-W1049 PolarHBondContact OD2-NE1 2.92Å | ||
| 1048 | Q | 30.7 | Very low | 30 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | -150 | 103.2 | 163.1 | -101 | -161 | 30.2 | 0 | 0 | 113.3 | L1046 S1050 E1155 H1156 | L1046-Q1048 HydrophobicContact CD1-CB 4.07Å; L1046-Q1048 HydrophobicContact CD1-CG 4.1Å; L1046-Q1048 HydrophobicContact CG-CB 4.21Å; L1046-Q1048 HydrophobicContact CG-CG 4.39Å; L1046-Q1048 PolarHBondContact O-N 3.34Å; Q1048-S1050 VanDerWaalsContact C-N 3.33Å; Q1048-S1050 WeakPolarHBondContact O-CB 3.5Å; Q1048-S1050 PolarHBondContact O-N 2.99Å; Q1048-S1050 PolarHBondContact O-OG 2.93Å; Q1048-E1155 HydrophobicContact CG-CG 4.38Å; Q1048-E1155 PolarHBondContact NE2-OE1 3.45Å; Q1048-H1156 VanDerWaalsContact CB-ND1 3.28Å; Q1048-H1156 WeakPolarHBondContact CB-ND1 3.48Å; Q1048-H1156 HydrophobicContact CG-CB 4.41Å; Q1048-H1156 VanDerWaalsContact CG-ND1 3.31Å; Q1048-H1156 WeakPolarHBondContact CG-ND1 3.33Å; Q1048-H1156 VanDerWaalsContact NE2-CG 3.34Å; Q1048-H1156 PolarHBondContact NE2-ND1 3.29Å | ||
| 1049 | W | 30.8 | Very low | 30.3 | Very low | 225 Ų | 225 | 123.9 Ų | 123.9 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | trans | -93.3 | 103.2 | 164.4 | -71.6 | 30.7 | 0 | 0 | 0 | 110.8 | D1047 S1051 | D1047-W1049 PolarHBondContact O-N 3.49Å; D1047-W1049 PolarHBondContact OD1-NE1 3.35Å; D1047-W1049 PolarHBondContact OD2-NE1 2.92Å; W1049-S1051 PolarHBondContact O-N 3.47Å | ||
| 1050 | S | 28 | Very low | 30.9 | Very low | 101.8 Ų | 101.8 | 121.7 Ų | 121.7 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | -116.9 | 109 | 142.7 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | Q1048 S1052 | Q1048-S1050 VanDerWaalsContact C-N 3.33Å; Q1048-S1050 WeakPolarHBondContact O-CB 3.5Å; Q1048-S1050 PolarHBondContact O-N 2.99Å; Q1048-S1050 PolarHBondContact O-OG 2.93Å; S1050-S1052 PolarHBondContact O-N 2.81Å | ||
| 1051 | S | 27.3 | Very low | 31.3 | Very low | 111.8 Ų | 111.8 | 122.5 Ų | 122.5 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | trans | -103 | 114.5 | 165.9 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | W1049 | W1049-S1051 PolarHBondContact O-N 3.47Š| ||
| 1052 | S | 24.7 | Very low | 31.8 | Very low | 112.8 Ų | 112.8 | 121.4 Ų | 121.4 | 79% | 0.789 | 71% | 0.708 | S | S | * | * | trans | 78.4 | 100.5 | 145.2 | -103 | 0 | 0 | 0 | 0 | 113.8 | S1050 S1054 | S1050-S1052 PolarHBondContact O-N 2.81Å; S1052-S1054 PolarHBondContact O-N 3.48Å | ||
| 1053 | S | 28.2 | Very low | 32.1 | Very low | 109.8 Ų | 109.8 | 123.2 Ų | 123.2 | 77% | 0.768 | 71% | 0.708 | S | S | * | * | trans | -146.3 | 107.1 | 153.5 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | E1055 | S1053-E1055 PolarHBondContact O-N 2.95Š| ||
| 1054 | S | 29.5 | Very low | 32.2 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -72.6 | 86.4 | 158.2 | 14.7 | 0 | 0 | 0 | 0 | 114.5 | S1052 S1056 | S1052-S1054 PolarHBondContact O-N 3.48Å; S1054-S1056 PolarHBondContact O-N 3.06Å | ||
| 1055 | E | 33.6 | Very low | 32.4 | Very low | 165.2 Ų | 165.2 | 122.2 Ų | 122.2 | 77% | 0.772 | 70% | 0.7 | S | S | * | * | trans | -116.7 | 109 | 151.9 | -119.4 | 151 | 154.3 | 0 | 0 | 108.4 | K248 R249 S1053 T1057 | K248-E1055 WeakPolarHBondContact CE-OE2 3.46Å; K248-E1055 IonicContact NZ-OE2 2.7Å; K248-E1055 PolarHBondContact NZ-OE2 3.18Å; R249-E1055 IonicContact NH1-OE1 3.28Å; R249-E1055 IonicContact NH2-OE1 2.71Å; S1053-E1055 PolarHBondContact O-N 2.95Å; E1055-T1057 PolarHBondContact O-N 2.8Å; E1055-T1057 PolarHBondContact O-OG1 2.94Å | ||
| 1056 | S | 32 | Very low | 32.5 | Very low | 94.4 Ų | 94.4 | 125.2 Ų | 125.2 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | trans | -68.2 | 120.8 | 139.1 | -167.7 | 0 | 0 | 0 | 0 | 111.7 | S306 S1054 T1058 | S306-S1056 PolarHBondContact O-OG 2.97Å; S1054-S1056 PolarHBondContact O-N 3.06Å; S1056-T1058 PolarHBondContact O-N 2.87Å | ||
| 1057 | T | 33.8 | Very low | 32.7 | Very low | 107.2 Ų | 107.2 | 125.4 Ų | 125.4 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | trans | -113.2 | 127.1 | 157.4 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | K248 E1055 | K248-T1057 HydrophobicContact CB-CG2 4.38Å; K248-T1057 HydrophobicContact CD-CG2 4.22Å; K248-T1057 WeakPolarHBondContact CD-OG1 3.42Å; K248-T1057 WeakPolarHBondContact CE-OG1 3.4Å; K248-T1057 PolarHBondContact NZ-OG1 3.3Å; E1055-T1057 PolarHBondContact O-N 2.8Å; E1055-T1057 PolarHBondContact O-OG1 2.94Å | ||
| 1058 | T | 38.3 | Very low | 32.6 | Very low | 100.4 Ų | 100.4 | 124.2 Ų | 124.2 | 62% | 0.616 | 71% | 0.707 | S | S | * | * | trans | 74.4 | 112.6 | 169.4 | 41.8 | 0 | 0 | 0 | 0 | 115.2 | S246 F247 S1056 | S246-T1058 CarbonylContact C-O 3.53Å; S246-T1058 WeakPolarHBondContact CA-O 3.4Å; S246-T1058 VanDerWaalsContact CB-O 3.26Å; S246-T1058 WeakPolarHBondContact CB-O 3.28Å; F247-T1058 WeakPolarHBondContact CD1-OG1 3.35Å; F247-T1058 WeakPolarHBondContact CE1-OG1 3.32Å; F247-T1058 WeakPolarHBondContact CZ-OG1 3.31Å; F247-T1058 PolarHBondContact N-O 3.2Å; F247-T1058 PolarHBondContact O-N 2.95Å; F247-T1058 PolarHBondContact O-OG1 2.94Å; S1056-T1058 PolarHBondContact O-N 2.87Å | ||
| 1059 | G | 33.9 | Very low | 32.6 | Very low | 56.8 Ų | 56.8 | 124.7 Ų | 124.7 | 59% | 0.586 | 71% | 0.714 | S | S | * | * | trans | -144.4 | 121.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K244 L245 I1061 | K244-G1059 WeakPolarHBondContact CE-O 3.23Å; L245-G1059 CarbonylContact O-C 3.6Å; L245-G1059 WeakPolarHBondContact O-CA 3.26Å; G1059-I1061 VanDerWaalsContact C-N 3.3Å; G1059-I1061 PolarHBondContact O-N 3.33Å | ||
| 1060 | V | 38.9 | Very low | 32.4 | Very low | 119.2 Ų | 119.2 | 120 Ų | 120 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -91.8 | 112.7 | 173 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | K244 L245 W278 I282 I1062 | K244-V1060 VanDerWaalsContact CG-O 3.28Å; K244-V1060 WeakPolarHBondContact CG-O 3.48Å; L245-V1060 PolarHBondContact N-O 2.82Å; L245-V1060 PolarHBondContact O-N 2.86Å; W278-V1060 HydrophobicContact CZ2-CG2 4.04Å; I282-V1060 HydrophobicContact CD1-CB 3.8Å; I282-V1060 HydrophobicContact CD1-CG1 4.06Å; I282-V1060 HydrophobicContact CD1-CG2 4.41Å; V1060-I1062 PolarHBondContact O-N 3.08Å | ||
| 1061 | I | 39.6 | Very low | 32.3 | Very low | 128.6 Ų | 128.6 | 120.3 Ų | 120.3 | 66% | 0.659 | 71% | 0.712 | S | S | * | * | trans | -93.4 | 120.7 | 150.3 | -64.6 | 172.6 | 0 | 0 | 0 | 109.1 | K244 G1059 R1063 | K244-I1061 HydrophobicContact CD-CG1 4.05Å; K244-I1061 HydrophobicContact CG-CG1 4.19Å; G1059-I1061 VanDerWaalsContact C-N 3.3Å; G1059-I1061 PolarHBondContact O-N 3.33Å; I1061-R1063 HydrophobicContact CB-CG 4.31Å; I1061-R1063 HydrophobicContact CG2-CG 3.53Å; I1061-R1063 PolarHBondContact O-N 2.99Å | ||
| 1062 | I | 38.8 | Very low | 32.3 | Very low | 121.6 Ų | 121.6 | 119.1 Ų | 119.1 | 62% | 0.624 | 71% | 0.709 | S | S | * | * | trans | -32.5 | 114 | 169.7 | -52.1 | 172.3 | 0 | 0 | 0 | 111.5 | I242 R243 L245 H285 V1060 | I242-I1062 HydrophobicContact CG2-CD1 3.85Å; I242-I1062 WeakPolarHBondContact O-CG2 3.4Å; R243-I1062 PolarHBondContact O-N 3.35Å; R243-I1062 VanDerWaalsContact O-O 3.05Å; L245-I1062 HydrophobicContact CD1-CD1 4.07Å; L245-I1062 HydrophobicContact CG-CD1 3.9Å; H285-I1062 HydrophobicContact CB-CD1 4.25Å; H285-I1062 VanDerWaalsContact NE2-CG2 3.32Å; H285-I1062 WeakPolarHBondContact NE2-CG2 3.27Å; V1060-I1062 PolarHBondContact O-N 3.08Å | ||
| 1063 | R | 34.5 | Very low | 32.4 | Very low | 198.2 Ų | 198.2 | 119.5 Ų | 119.5 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | trans | -94.9 | 134.7 | 147.3 | -64.2 | -173.3 | -177 | 139.9 | 0.2 | 112.9 | I1061 D1065 | I1061-R1063 HydrophobicContact CB-CG 4.31Å; I1061-R1063 HydrophobicContact CG2-CG 3.53Å; I1061-R1063 PolarHBondContact O-N 2.99Å; R1063-D1065 HydrophobicContact CB-CB 4.4Å; R1063-D1065 WeakPolarHBondContact CB-OD1 3.49Å; R1063-D1065 WeakPolarHBondContact CB-OD2 3.32Å; R1063-D1065 WeakPolarHBondContact CD-OD1 3.47Å; R1063-D1065 PolarHBondContact O-N 2.94Å; R1063-D1065 VanDerWaalsContact O-N 3.15Å | ||
| 1064 | S | 33.1 | Very low | 32.3 | Very low | 95.8 Ų | 95.8 | 119.4 Ų | 119.4 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | -70.1 | 106.5 | 156.9 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | R289 L1066 | R289-S1064 VanDerWaalsContact NH2-CB 3.27Å; R289-S1064 PolarHBondContact NH2-OG 3.02Å; S1064-L1066 PolarHBondContact O-N 3.05Å; S1064-L1066 VanDerWaalsContact O-N 3.16Å | ||
| 1065 | D | 31.6 | Very low | 32.3 | Very low | 120.4 Ų | 120.4 | 121.4 Ų | 121.4 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | trans | -75.2 | 118.7 | 166.1 | -72.6 | -38.7 | 0 | 0 | 0 | 112.4 | R1063 I1067 | R1063-D1065 HydrophobicContact CB-CB 4.4Å; R1063-D1065 WeakPolarHBondContact CB-OD1 3.49Å; R1063-D1065 WeakPolarHBondContact CB-OD2 3.32Å; R1063-D1065 WeakPolarHBondContact CD-OD1 3.47Å; R1063-D1065 PolarHBondContact O-N 2.94Å; R1063-D1065 VanDerWaalsContact O-N 3.15Å; D1065-I1067 PolarHBondContact O-N 3.23Å | ||
| 1066 | L | 31.3 | Very low | 32.1 | Very low | 160.8 Ų | 160.8 | 121.8 Ų | 121.8 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | trans | -99.8 | 113.6 | 167.4 | -81.2 | 154 | 0 | 0 | 0 | 112 | S1064 | S1064-L1066 PolarHBondContact O-N 3.05Å; S1064-L1066 VanDerWaalsContact O-N 3.16Å | ||
| 1067 | I | 34.3 | Very low | 32 | Very low | 138.2 Ų | 138.2 | 122.1 Ų | 122.1 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | trans | -49.6 | 136.1 | 158 | -42.9 | 170.8 | 0 | 0 | 0 | 110.8 | D1065 N1069 | D1065-I1067 PolarHBondContact O-N 3.23Å; I1067-N1069 PolarHBondContact O-N 3.44Å | ||
| 1068 | P | 32.3 | Very low | 31.8 | Very low | 103.8 Ų | 103.8 | 123.3 Ų | 123.3 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | -106.2 | 136.8 | 166.8 | 29.4 | -18.3 | 0 | 0 | 0 | 112.1 | T1070 | P1068-T1070 VanDerWaalsContact C-N 3.28Å; P1068-T1070 PolarHBondContact O-N 3.33Å | ||
| 1069 | N | 29.3 | Very low | 31.5 | Very low | 137.6 Ų | 137.6 | 123.2 Ų | 123.2 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | 180 | 127.6 | 143.7 | -70.4 | -26 | 0 | 0 | 0 | 114.9 | I1067 S1071 | I1067-N1069 PolarHBondContact O-N 3.44Å; N1069-S1071 PolarHBondContact O-N 3.37Å | ||
| 1070 | T | 27.9 | Very low | 31.2 | Very low | 125.6 Ų | 125.6 | 125.6 Ų | 125.6 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | trans | 12.4 | 135.2 | 157.1 | 57.5 | 0 | 0 | 0 | 0 | 116.3 | P1068 | P1068-T1070 VanDerWaalsContact C-N 3.28Å; P1068-T1070 PolarHBondContact O-N 3.33Å | ||
| 1071 | S | 25.2 | Very low | 30.6 | Very low | 107.2 Ų | 107.2 | 126.3 Ų | 126.3 | 75% | 0.75 | 72% | 0.718 | S | S | * | * | trans | -37 | 135.2 | 149 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | N1069 T1073 | N1069-S1071 PolarHBondContact O-N 3.37Å; S1071-T1073 VanDerWaalsContact C-N 3.28Å; S1071-T1073 PolarHBondContact O-N 3.4Å; S1071-T1073 VanDerWaalsContact O-N 3.11Å | ||
| 1072 | A | 27.7 | Very low | 30 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | -152.5 | 141 | 103.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1074 | A1072-C1074 VanDerWaalsContact C-N 3.33Å; A1072-C1074 PolarHBondContact O-N 2.93Å | |||
| 1073 | T | 26.9 | Very low | 29.4 | Very low | 120.2 Ų | 120.2 | 125.1 Ų | 125.1 | 74% | 0.737 | 72% | 0.721 | S | S | * | * | trans | 23.5 | 105.9 | 143.6 | -25.6 | 0 | 0 | 0 | 0 | 115 | S1071 H1075 | S1071-T1073 VanDerWaalsContact C-N 3.28Å; S1071-T1073 PolarHBondContact O-N 3.4Å; S1071-T1073 VanDerWaalsContact O-N 3.11Å; T1073-H1075 PolarHBondContact O-N 3.46Å | ||
| 1074 | C | 27 | Very low | 29.2 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | 166.7 | 125.2 | 130.1 | -81.1 | 0 | 0 | 0 | 0 | 116.1 | A1072 H1076 | A1072-C1074 VanDerWaalsContact C-N 3.33Å; A1072-C1074 PolarHBondContact O-N 2.93Å; C1074-H1076 PolarHBondContact O-N 2.8Å | ||
| 1075 | H | 27.6 | Very low | 29 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 70% | 0.704 | 73% | 0.729 | S | S | * | * | trans | -2.8 | 120.1 | 158.2 | -59.3 | -66.4 | 0 | 0 | 0 | 114.1 | T1073 | T1073-H1075 PolarHBondContact O-N 3.46Š| ||
| 1076 | H | 31.2 | Very low | 29 | Very low | 172.4 Ų | 172.4 | 125.1 Ų | 125.1 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | 144.4 | 130.2 | 104.4 | -68.8 | -52.5 | 0 | 0 | 0 | 114.2 | C1074 | C1074-H1076 PolarHBondContact O-N 2.8Š| |||
| 1077 | S | 28 | Very low | 28.7 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 72.1 | 118.8 | 118.5 | 34.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1078 | V | 31.5 | Very low | 28.5 | Very low | 132.6 Ų | 132.6 | 125.4 Ų | 125.4 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | -165.4 | 143.2 | 101.6 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1079 | P | 30.7 | Very low | 28.3 | Very low | 98.6 Ų | 98.6 | 128.4 Ų | 128.4 | 64% | 0.64 | 74% | 0.738 | S | S | * | * | -114.7 | 162.5 | -70.7 | 26.5 | -9.2 | 0 | 0 | 0 | 113.7 | I1081 | P1079-I1081 HydrophobicContact CB-CD1 4.31Å; P1079-I1081 HydrophobicContact CG-CD1 4.31Å; P1079-I1081 HydrophobicContact CG-CG1 4.23Å; P1079-I1081 WeakPolarHBondContact O-CD1 3.49Å; P1079-I1081 PolarHBondContact O-N 3.45Å | |||
| 1080 | C | 27 | Very low | 28.2 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | trans | -112.1 | 121.6 | 150 | -56 | 0 | 0 | 0 | 0 | 114.2 | I1043 N1082 | I1043-C1080 HydrophobicContact CG2-CB 4.35Å; I1043-C1080 WeakPolarHBondContact CG2-SG 3.41Å; C1080-N1082 PolarHBondContact O-N 3.37Å | ||
| 1081 | I | 26.8 | Very low | 28.2 | Very low | 133.4 Ų | 133.4 | 128.4 Ų | 128.4 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | -128.4 | 126.5 | 120.5 | -49.1 | 173.3 | 0 | 0 | 0 | 110.7 | R667 P1079 S1083 | R667-I1081 HydrophobicContact CG-CD1 4.35Å; R667-I1081 VanDerWaalsContact CZ-CG2 3.5Å; P1079-I1081 HydrophobicContact CB-CD1 4.31Å; P1079-I1081 HydrophobicContact CG-CD1 4.31Å; P1079-I1081 HydrophobicContact CG-CG1 4.23Å; P1079-I1081 WeakPolarHBondContact O-CD1 3.49Å; P1079-I1081 PolarHBondContact O-N 3.45Å; I1081-S1083 PolarHBondContact O-N 3.49Å; I1081-S1083 VanDerWaalsContact O-N 3.15Å | |||
| 1082 | N | 27.1 | Very low | 28.5 | Very low | 135.6 Ų | 135.6 | 130.5 Ų | 130.5 | 73% | 0.725 | 74% | 0.738 | S | S | * | * | trans | -63.5 | 109.1 | 158.6 | -83.2 | -1.4 | 0 | 0 | 0 | 114.6 | R667 H1042 C1080 | R667-N1082 VanDerWaalsContact NH1-CG 3.3Å; R667-N1082 PolarHBondContact NH1-ND2 3.24Å; R667-N1082 VanDerWaalsContact NH1-ND2 3.13Å; R667-N1082 PolarHBondContact NH1-OD1 3.29Å; R667-N1082 PolarHBondContact NH2-OD1 3.1Å; H1042-N1082 PolarHBondContact CD2-ND2 3.46Å; H1042-N1082 VanDerWaalsContact CD2-ND2 3.31Å; H1042-N1082 PolarHBondContact CE1-OD1 3.48Å; H1042-N1082 PolarHBondContact ND1-ND2 2.96Å; H1042-N1082 PolarHBondContact ND1-OD1 3.37Å; C1080-N1082 PolarHBondContact O-N 3.37Å | ||
| 1083 | S | 26.7 | Very low | 28.6 | Very low | 88.8 Ų | 88.8 | 131.8 Ų | 131.8 | 62% | 0.621 | 74% | 0.737 | S | S | * | * | trans | 161.4 | 148.3 | 161.1 | 111.5 | 0 | 0 | 0 | 0 | 113.3 | I1081 | I1081-S1083 PolarHBondContact O-N 3.49Å; I1081-S1083 VanDerWaalsContact O-N 3.15Å | ||
| 1084 | I | 29.4 | Very low | 28.6 | Very low | 151.6 Ų | 151.6 | 131.7 Ų | 131.7 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | 74.1 | 98.4 | 149.8 | -55.5 | 167.9 | 0 | 0 | 0 | 115.5 | ||||
| 1085 | N | 29.4 | Very low | 29 | Very low | 148.8 Ų | 148.8 | 131.6 Ų | 131.6 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -26.9 | 152.8 | 154.9 | -84 | -37.4 | 0 | 0 | 0 | 112.7 | ||||
| 1086 | P | 31 | Very low | 29.1 | Very low | 115.4 Ų | 115.4 | 131.6 Ų | 131.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | -117.2 | 161 | 109.8 | 33.9 | -26 | 0 | 0 | 0 | 114.1 | |||||
| 1087 | M | 25.9 | Very low | 29 | Very low | 166.2 Ų | 166.2 | 127.8 Ų | 127.8 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | trans | -94.9 | 145.6 | 155.4 | -83.2 | 167.1 | 57.5 | 0 | 0 | 111.5 | ||||
| 1088 | L | 30 | Very low | 29.2 | Very low | 138.6 Ų | 138.6 | 127.9 Ų | 127.9 | 73% | 0.726 | 74% | 0.743 | S | S | * | * | trans | 174.6 | 135.6 | 147.7 | -72.2 | 165.8 | 0 | 0 | 0 | 111.3 | ||||
| 1089 | Q | 28.5 | Very low | 29.3 | Very low | 165.8 Ų | 165.8 | 130.7 Ų | 130.7 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | -171.9 | 141.4 | 121.6 | -108.9 | 179.2 | -1.1 | 0 | 0 | 110.2 | |||||
| 1090 | H | 27.6 | Very low | 29.3 | Very low | 161.2 Ų | 161.2 | 130.7 Ų | 130.7 | 75% | 0.746 | 75% | 0.746 | S | S | * | * | trans | 19 | 114.1 | 177.6 | -56 | -84.7 | 0 | 0 | 0 | 115.6 | ||||
| 1091 | S | 27.2 | Very low | 29.5 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | 145.5 | 132.2 | 106.4 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | T1093 | S1091-T1093 VanDerWaalsContact C-N 3.26Å; S1091-T1093 PolarHBondContact O-N 3.35Å | |||
| 1092 | L | 31.5 | Very low | 29.9 | Very low | 151.6 Ų | 151.6 | 131.6 Ų | 131.6 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | 82.3 | 108.9 | 118.6 | -70.5 | 166.9 | 0 | 0 | 0 | 115.2 | |||||
| 1093 | T | 29.9 | Very low | 30 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 74.7 | 107.1 | 129.1 | 27.4 | 0 | 0 | 0 | 0 | 118.9 | S1091 | S1091-T1093 VanDerWaalsContact C-N 3.26Å; S1091-T1093 PolarHBondContact O-N 3.35Å | |||
| 1094 | C | 26.6 | Very low | 30.3 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | 60.3 | 162 | 127.8 | -60.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1095 | P | 35.3 | Very low | 30.3 | Very low | 106.2 Ų | 106.2 | 135.5 Ų | 135.5 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | -136.3 | 176.2 | -129.5 | 40.8 | -24 | 0 | 0 | 0 | 116.2 | |||||
| 1096 | N | 30.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | 94.7 | 114.1 | 150.2 | -70 | -25.9 | 0 | 0 | 0 | 119.2 | ||||
| 1097 | A | 29.4 | Very low | 30.1 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | 83.7 | 120.7 | 120.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1098 | S | 31.1 | Very low | 30.2 | Very low | 104.2 Ų | 104.2 | 132.4 Ų | 132.4 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | trans | -168.9 | 133.9 | 130.1 | -42.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1099 | K | 33.5 | Very low | 30.2 | Very low | 191.2 Ų | 191.2 | 135.7 Ų | 135.7 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | 108.3 | 138.7 | 137.8 | -78.7 | 164.2 | -177.5 | 177 | 0 | 116.3 | ||||
| 1100 | S | 30.4 | Very low | 30.2 | Very low | 97.4 Ų | 97.4 | 135.1 Ų | 135.1 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | 106.3 | 130.7 | 70.4 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1101 | I | 32 | Very low | 30.2 | Very low | 153.6 Ų | 153.6 | 135.4 Ų | 135.4 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | cis | 109.1 | 138.7 | 49.5 | -74.5 | 167.1 | 0 | 0 | 0 | 111.4 | ||||
| 1102 | P | 35.7 | Very low | 30.6 | Very low | 105.6 Ų | 105.6 | 135.7 Ų | 135.7 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | -116.4 | 176.9 | 141.2 | 36.3 | -24.7 | 0 | 0 | 0 | 114.8 | ||||
| 1103 | F | 29.9 | Very low | 30.4 | Very low | 170.8 Ų | 170.8 | 132.9 Ų | 132.9 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | trans | 141 | 143.7 | 140.4 | -102 | -123.9 | 0 | 0 | 0 | 113.7 | ||||
| 1104 | E | 31.2 | Very low | 30.5 | Very low | 144.2 Ų | 144.2 | 136.3 Ų | 136.3 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | cis | -171.9 | 143 | 21.1 | -107.7 | 179.4 | 171.8 | 0 | 0 | 110.8 | ||||
| 1105 | Q | 29.7 | Very low | 30.7 | Very low | 143.8 Ų | 143.8 | 133.7 Ų | 133.7 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | cis | 96.8 | 141.3 | 43 | -126 | 176 | 42.8 | 0 | 0 | 115.5 | ||||
| 1106 | I | 29.9 | Very low | 30.5 | Very low | 134.4 Ų | 134.4 | 135.8 Ų | 135.8 | 69% | 0.689 | 74% | 0.737 | S | S | * | * | trans | 68.5 | 110.3 | 135.8 | -64.1 | 169.1 | 0 | 0 | 0 | 117.2 | ||||
| 1107 | T | 27 | Very low | 30.4 | Very low | 107.2 Ų | 107.2 | 134.1 Ų | 134.1 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | 33.1 | 138.5 | 104.5 | -25.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1108 | N | 28.7 | Very low | 30.4 | Very low | 123.4 Ų | 123.4 | 140.8 Ų | 140.8 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | 131.9 | 130.2 | 127.4 | -78.8 | -24.6 | 0 | 0 | 0 | 117.9 | |||||
| 1109 | Y | 28.6 | Very low | 30.3 | Very low | 208.4 Ų | 208.4 | 140.7 Ų | 140.7 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | trans | 89.6 | 133.2 | 137.1 | -70 | -64.7 | 0 | 0 | 0 | 115.7 | ||||
| 1110 | L | 28.8 | Very low | 30.2 | Very low | 152.6 Ų | 152.6 | 136.3 Ų | 136.3 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | cis | 112.3 | 141.9 | 48.4 | -149.5 | 66.2 | 0 | 0 | 0 | 114.7 | ||||
| 1111 | H | 28.6 | Very low | 30.1 | Very low | 167.4 Ų | 167.4 | 137.9 Ų | 137.9 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | -8.7 | 162.5 | 153.8 | -111.8 | -113 | 0 | 0 | 0 | 113.2 | ||||
| 1112 | P | 34 | Very low | 30.1 | Very low | 108.4 Ų | 108.4 | 140.8 Ų | 140.8 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | cis | -127.3 | -179.5 | -4.8 | 40 | -25.2 | 0 | 0 | 0 | 114.5 | ||||
| 1113 | S | 28.8 | Very low | 29.8 | Very low | 92.8 Ų | 92.8 | 144.1 Ų | 144.1 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | trans | 58.4 | 135.9 | 148.3 | -150.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1114 | E | 30.3 | Very low | 30 | Very low | 187.2 Ų | 187.2 | 141.2 Ų | 141.2 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | 123 | 149 | 115.4 | -76.2 | 169.8 | 172.3 | 0 | 0 | 112.4 | |||||
| 1115 | G | 32.3 | Very low | 30 | Very low | 65.4 Ų | 65.4 | 141.4 Ų | 141.4 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | 125.5 | 84.1 | 121.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1116 | D | 30.1 | Very low | 30 | Very low | 149.4 Ų | 149.4 | 141.7 Ų | 141.7 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | 44.1 | 139.3 | 151.4 | -117.5 | 5.3 | 0 | 0 | 0 | 117.4 | ||||
| 1117 | V | 28.5 | Very low | 30.3 | Very low | 115.8 Ų | 115.8 | 143.5 Ų | 143.5 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | 67.8 | 108.3 | 98.7 | 169.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 1118 | R | 29.5 | Very low | 30.4 | Very low | 234.6 Ų | 234.6 | 146.2 Ų | 146.2 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | 164 | 133.6 | 138.9 | -115.6 | 174.3 | 177.2 | 152.2 | -0 | 118.8 | ||||
| 1119 | S | 28.1 | Very low | 30.7 | Very low | 101.2 Ų | 101.2 | 145.9 Ų | 145.9 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | trans | -6.2 | 130.8 | 149 | -56.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1120 | S | 31.4 | Very low | 30.8 | Very low | 99.4 Ų | 99.4 | 142.7 Ų | 142.7 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | 156.5 | 146 | 107.5 | 77.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1121 | N | 29.1 | Very low | 31 | Very low | 130.8 Ų | 130.8 | 141.3 Ų | 141.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 72 | 153.1 | 132.9 | -74.5 | -38.7 | 0 | 0 | 0 | 116.3 | ||||
| 1122 | Y | 31.3 | Very low | 31.2 | Very low | 213.2 Ų | 213.2 | 136.9 Ų | 136.9 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | 106.5 | 121.9 | 131.4 | -82.1 | -77.9 | 0 | 0 | 0 | 118.9 | ||||
| 1123 | K | 30.2 | Very low | 31.2 | Very low | 176.4 Ų | 176.4 | 142.2 Ų | 142.2 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | trans | 17 | 160.7 | 139.5 | -101 | -168.4 | 174.9 | -172.7 | 0 | 117.5 | E1125 | K1123-E1125 HydrophobicContact CD-CG 3.94Å; K1123-E1125 WeakPolarHBondContact CE-OE1 3.42Å; K1123-E1125 HydrophobicContact CG-CG 4.05Å; K1123-E1125 IonicContact NZ-OE1 3.22Å; K1123-E1125 PolarHBondContact NZ-OE1 3.22Å | ||
| 1124 | P | 34.4 | Very low | 31.3 | Very low | 109.2 Ų | 109.2 | 141 Ų | 141 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | cis | -126.5 | 171.7 | 23.6 | 34 | -14.7 | 0 | 0 | 0 | 115.5 | ||||
| 1125 | E | 30.1 | Very low | 31.4 | Very low | 148.6 Ų | 148.6 | 139.5 Ų | 139.5 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | 111.3 | 148.9 | 109 | -96.1 | 173.4 | -149 | 0 | 0 | 118.3 | K1123 | K1123-E1125 HydrophobicContact CD-CG 3.94Å; K1123-E1125 WeakPolarHBondContact CE-OE1 3.42Å; K1123-E1125 HydrophobicContact CG-CG 4.05Å; K1123-E1125 IonicContact NZ-OE1 3.22Å; K1123-E1125 PolarHBondContact NZ-OE1 3.22Å | |||
| 1126 | H | 31.3 | Very low | 31.3 | Very low | 150.8 Ų | 150.8 | 142.2 Ų | 142.2 | 70% | 0.698 | 76% | 0.762 | S | S | * | * | trans | 160.4 | 143.1 | 142.6 | -90 | -55.1 | 0 | 0 | 0 | 115.5 | ||||
| 1127 | K | 34.4 | Very low | 31.3 | Very low | 171.6 Ų | 171.6 | 139.3 Ų | 139.3 | 75% | 0.746 | 75% | 0.753 | S | S | * | * | 156.5 | 128.6 | 77.8 | -89.4 | 174.5 | 179.9 | 169.4 | 0 | 114.8 | |||||
| 1128 | Q | 30.2 | Very low | 31.6 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | 80.6 | 134.2 | 99 | -143 | -179.6 | -10.1 | 0 | 0 | 117.4 | |||||
| 1129 | V | 33.8 | Very low | 31.6 | Very low | 115.8 Ų | 115.8 | 135.3 Ų | 135.3 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | 124.9 | 110.7 | 126.8 | 175.4 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1130 | N | 31.9 | Very low | 31.7 | Very low | 141.2 Ų | 141.2 | 137.6 Ų | 137.6 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 28.9 | 127.4 | 145.2 | -56.4 | -13.2 | 0 | 0 | 0 | 121.8 | ||||
| 1131 | S | 32.8 | Very low | 31.8 | Very low | 124.6 Ų | 124.6 | 139.2 Ų | 139.2 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | 88.2 | 143.3 | 127 | 25.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1132 | G | 33.6 | Very low | 32.2 | Very low | 75.2 Ų | 75.2 | 138.7 Ų | 138.7 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 157.6 | 114.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1133 | K | 32.8 | Very low | 32.2 | Very low | 219.8 Ų | 219.8 | 132.9 Ų | 132.9 | 96% | 0.956 | 76% | 0.756 | S | S | * | * | trans | -24.5 | 140.9 | 159.5 | -61.5 | 172.1 | 178.9 | 176.3 | 0 | 113.5 | ||||
| 1134 | G | 31.4 | Very low | 32.3 | Very low | 67.6 Ų | 67.6 | 134.2 Ų | 134.2 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | 163.5 | 103.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1135 | I | 33.3 | Very low | 32.3 | Very low | 155.2 Ų | 155.2 | 133.7 Ų | 133.7 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 57 | 121.1 | 137.9 | 2.5 | 172.5 | 0 | 0 | 0 | 119 | ||||
| 1136 | T | 30.1 | Very low | 32.4 | Very low | 122.2 Ų | 122.2 | 135.2 Ų | 135.2 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | 60.9 | 132.4 | 141.4 | 55.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1137 | S | 29.9 | Very low | 32.6 | Very low | 87.8 Ų | 87.8 | 135.4 Ų | 135.4 | 61% | 0.614 | 77% | 0.766 | S | S | * | * | trans | 63.6 | 150.6 | 131.9 | 60.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1138 | H | 33.7 | Very low | 32.5 | Very low | 174.4 Ų | 174.4 | 136.3 Ų | 136.3 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | 156.2 | 141 | 132.4 | -78.1 | -64.2 | 0 | 0 | 0 | 114.2 | ||||
| 1139 | S | 29.3 | Very low | 32.6 | Very low | 92.6 Ų | 92.6 | 136.7 Ų | 136.7 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | trans | -15.4 | 145.2 | -173.8 | 59.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1140 | N | 31.1 | Very low | 32.6 | Very low | 149.8 Ų | 149.8 | 137.7 Ų | 137.7 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | 104 | 123.7 | 139.4 | -71.7 | -40.4 | 0 | 0 | 0 | 116.4 | ||||
| 1141 | V | 33.4 | Very low | 32.7 | Very low | 133.4 Ų | 133.4 | 137.7 Ų | 137.7 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | -79.1 | 138.8 | 123.6 | 178.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1142 | P | 36.5 | Very low | 32.6 | Very low | 118.8 Ų | 118.8 | 138.8 Ų | 138.8 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | -114.5 | 158.5 | 163.2 | 27.1 | -12.9 | 0 | 0 | 0 | 115 | ||||
| 1143 | A | 32.3 | Very low | 32.5 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | -102 | 153.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1145 | A1143-S1145 PolarHBondContact O-N 3.4Š| ||
| 1144 | K | 32.4 | Very low | 32.4 | Very low | 204.6 Ų | 204.6 | 136 Ų | 136 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | trans | 179.4 | 127.7 | 156.7 | -72.4 | 166.6 | -174.6 | 172.2 | 0 | 115.4 | ||||
| 1145 | S | 33.5 | Very low | 32.3 | Very low | 98.8 Ų | 98.8 | 139.9 Ų | 139.9 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | -126.9 | 140.1 | 151.9 | 73.3 | 0 | 0 | 0 | 0 | 114.5 | A1143 | A1143-S1145 PolarHBondContact O-N 3.4Š| ||
| 1146 | K | 33.8 | Very low | 32.2 | Very low | 180.4 Ų | 180.4 | 139.8 Ų | 139.8 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | 175.8 | 141.3 | 104.5 | -80.3 | 176.4 | -179.7 | 178.6 | 0 | 113.4 | |||||
| 1147 | H | 35 | Very low | 32.2 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 22.8 | 149.8 | 143.8 | -70.3 | -90.9 | 0 | 0 | 0 | 117.7 | ||||
| 1148 | Y | 31.1 | Very low | 32.1 | Very low | 191.2 Ų | 191.2 | 141.3 Ų | 141.3 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | -151.4 | 145.1 | 60.2 | -116 | -115.5 | 0 | 0 | 0 | 113.4 | |||||
| 1149 | K | 33.9 | Very low | 31.9 | Very low | 171.4 Ų | 171.4 | 137.5 Ų | 137.5 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | trans | 169.5 | 151 | 150.2 | -79 | -170.3 | -179 | -175.3 | 0 | 113.5 | ||||
| 1150 | H | 33.1 | Very low | 32 | Very low | 138.4 Ų | 138.4 | 142.2 Ų | 142.2 | 64% | 0.641 | 74% | 0.742 | S | S | * | * | cis | -156.2 | 148.2 | 8.2 | -169.3 | 30.9 | 0 | 0 | 0 | 110 | Q1152 | H1150-Q1152 PolarHBondContact CE1-OE1 3.03Å; H1150-Q1152 PolarHBondContact ND1-OE1 3.45Å | ||
| 1151 | L | 33.3 | Very low | 32 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -122 | 164.2 | 166.6 | -59.2 | 134.3 | 0 | 0 | 0 | 113.1 | ||||
| 1152 | Q | 32.2 | Very low | 32 | Very low | 146.8 Ų | 146.8 | 139.3 Ų | 139.3 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | cis | -156 | 148.6 | -28.9 | -139.8 | 165.1 | -25.2 | 0 | 0 | 112.9 | H1150 | H1150-Q1152 PolarHBondContact CE1-OE1 3.03Å; H1150-Q1152 PolarHBondContact ND1-OE1 3.45Å | ||
| 1153 | S | 30.7 | Very low | 31.8 | Very low | 90.2 Ų | 90.2 | 141.1 Ų | 141.1 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | trans | -141 | 136 | 170 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1154 | H | 31.1 | Very low | 31.7 | Very low | 147.4 Ų | 147.4 | 144.7 Ų | 144.7 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | 149.3 | 123.8 | 119 | -129.7 | -71.3 | 0 | 0 | 0 | 112.9 | H1156 | H1154-H1156 AromaticContact CE1-CD2 3.66Å; H1154-H1156 PolarHBondContact CE1-CD2 2.78Å; H1154-H1156 VanDerWaalsContact CE1-CD2 3.49Å; H1154-H1156 AromaticContact CE1-NE2 3.66Å; H1154-H1156 PolarHBondContact CE1-NE2 3.05Å; H1154-H1156 AromaticContact ND1-CD2 3.45Å; H1154-H1156 PolarHBondContact ND1-CD2 3.02Å; H1154-H1156 AromaticContact ND1-NE2 3.6Å; H1154-H1156 AromaticContact NE2-CD2 3.5Å; H1154-H1156 PolarHBondContact NE2-CD2 2.77Å; H1154-H1156 AromaticContact NE2-NE2 3.82Å | |||
| 1155 | E | 27.9 | Very low | 31.6 | Very low | 148.6 Ų | 148.6 | 139.8 Ų | 139.8 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | trans | -92.7 | 141.1 | 148.9 | -86.6 | 174.2 | 141.8 | 0 | 0 | 110.2 | Q1048 | Q1048-E1155 HydrophobicContact CG-CG 4.38Å; Q1048-E1155 PolarHBondContact NE2-OE1 3.45Å | ||
| 1156 | H | 31.5 | Very low | 31.5 | Very low | 153.4 Ų | 153.4 | 140.6 Ų | 140.6 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | trans | -152.3 | 148 | 143.1 | -104.6 | -47 | 0 | 0 | 0 | 110 | Q1048 H1154 | Q1048-H1156 VanDerWaalsContact CB-ND1 3.28Å; Q1048-H1156 WeakPolarHBondContact CB-ND1 3.48Å; Q1048-H1156 HydrophobicContact CG-CB 4.41Å; Q1048-H1156 VanDerWaalsContact CG-ND1 3.31Å; Q1048-H1156 WeakPolarHBondContact CG-ND1 3.33Å; Q1048-H1156 VanDerWaalsContact NE2-CG 3.34Å; Q1048-H1156 PolarHBondContact NE2-ND1 3.29Å; H1154-H1156 AromaticContact CE1-CD2 3.66Å; H1154-H1156 PolarHBondContact CE1-CD2 2.78Å; H1154-H1156 VanDerWaalsContact CE1-CD2 3.49Å; H1154-H1156 AromaticContact CE1-NE2 3.66Å; H1154-H1156 PolarHBondContact CE1-NE2 3.05Å; H1154-H1156 AromaticContact ND1-CD2 3.45Å; H1154-H1156 PolarHBondContact ND1-CD2 3.02Å; H1154-H1156 AromaticContact ND1-NE2 3.6Å; H1154-H1156 AromaticContact NE2-CD2 3.5Å; H1154-H1156 PolarHBondContact NE2-CD2 2.77Å; H1154-H1156 AromaticContact NE2-NE2 3.82Å | ||
| 1157 | V | 30 | Very low | 31.4 | Very low | 130.4 Ų | 130.4 | 137.3 Ų | 137.3 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -128.6 | 149.8 | 166.1 | -179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1158 | C | 27.5 | Very low | 31.4 | Very low | 111.2 Ų | 111.2 | 137.1 Ų | 137.1 | 75% | 0.751 | 73% | 0.734 | S | S | * | * | trans | 174.2 | 131.5 | 163.1 | -85.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1159 | S | 30.2 | Very low | 31.5 | Very low | 93.4 Ų | 93.4 | 133.7 Ų | 133.7 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | 145.1 | 140.5 | 129.2 | 44.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1160 | H | 32.4 | Very low | 31.4 | Very low | 192.2 Ų | 192.2 | 131.4 Ų | 131.4 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | 84.7 | 141.5 | 157.9 | -60.4 | -32.7 | 0 | 0 | 0 | 118.2 | ||||
| 1161 | G | 30.3 | Very low | 31.4 | Very low | 63.8 Ų | 63.8 | 128 Ų | 128 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | trans | 132.1 | 91.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H1163 | G1161-H1163 VanDerWaalsContact C-N 3.28Å; G1161-H1163 PolarHBondContact O-N 3.03Å | ||
| 1162 | H | 33 | Very low | 31.4 | Very low | 157.6 Ų | 157.6 | 129 Ų | 129 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | -40.5 | 144.6 | 144.8 | -72.7 | -93.2 | 0 | 0 | 0 | 115.1 | D476 | D476-H1162 HydrophobicContact CB-CB 4.02Å; D476-H1162 VanDerWaalsContact CG-CD2 3.5Å; D476-H1162 IonicContact OD1-CD2 3.85Å; D476-H1162 VanDerWaalsContact OD2-CB 3.27Å; D476-H1162 WeakPolarHBondContact OD2-CB 3.48Å; D476-H1162 IonicContact OD2-CD2 3.45Å; D476-H1162 PolarHBondContact OD2-CD2 3.32Å; D476-H1162 VanDerWaalsContact OD2-CD2 3.28Å; D476-H1162 IonicContact OD2-CG 3.62Å; D476-H1162 PolarHBondContact OD2-N 2.93Å | ||
| 1163 | H | 32.5 | Very low | 31.4 | Very low | 158.2 Ų | 158.2 | 129.6 Ų | 129.6 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | 110.4 | 111.8 | 157.3 | -51.3 | -71.8 | 0 | 0 | 0 | 115.7 | T474 D476 G1161 | T474-H1163 VanDerWaalsContact CB-CE1 3.47Å; T474-H1163 WeakPolarHBondContact CB-CE1 3.47Å; T474-H1163 PolarHBondContact O-CE1 3.07Å; T474-H1163 VanDerWaalsContact O-CE1 3.25Å; T474-H1163 PolarHBondContact OG1-CE1 2.82Å; T474-H1163 PolarHBondContact OG1-ND1 2.71Å; D476-H1163 PolarHBondContact N-NE2 2.97Å; G1161-H1163 VanDerWaalsContact C-N 3.28Å; G1161-H1163 PolarHBondContact O-N 3.03Å | ||
| 1164 | L | 30.7 | Very low | 31.6 | Very low | 166.4 Ų | 166.4 | 132.6 Ų | 132.6 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | trans | -134.5 | 157 | 136.7 | -81.8 | 171.8 | 0 | 0 | 0 | 112 | S1166 | L1164-S1166 PolarHBondContact O-N 2.86Š| ||
| 1165 | S | 29.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -178.9 | 151.6 | 178.1 | -8.6 | 0 | 0 | 0 | 0 | 116 | S1167 | S1165-S1167 VanDerWaalsContact C-N 3.35Å; S1165-S1167 PolarHBondContact O-N 3.42Å | ||
| 1166 | S | 31.5 | Very low | 31.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 64.1 | 132.4 | 166.6 | 51.6 | 0 | 0 | 0 | 0 | 116 | L1164 I1168 | L1164-S1166 PolarHBondContact O-N 2.86Å; S1166-I1168 PolarHBondContact O-N 3.3Å | ||
| 1167 | S | 32.1 | Very low | 31.9 | Very low | 109.8 Ų | 109.8 | 131.6 Ų | 131.6 | 77% | 0.768 | 77% | 0.765 | S | S | * | * | -133.2 | 147.4 | 57.2 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | S1165 | S1165-S1167 VanDerWaalsContact C-N 3.35Å; S1165-S1167 PolarHBondContact O-N 3.42Å | |||
| 1168 | I | 34.7 | Very low | 31.9 | Very low | 150.6 Ų | 150.6 | 133.7 Ų | 133.7 | 77% | 0.772 | 77% | 0.767 | S | S | * | * | trans | -82.6 | 140.4 | 171.1 | -59.1 | 166 | 0 | 0 | 0 | 111.5 | S1166 S1170 | S1166-I1168 PolarHBondContact O-N 3.3Å; I1168-S1170 PolarHBondContact O-N 3.16Å | ||
| 1169 | P | 33.3 | Very low | 32.1 | Very low | 119.4 Ų | 119.4 | 136.7 Ų | 136.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -94.6 | 137.8 | 161.9 | 3.8 | 10.7 | 0 | 0 | 0 | 113.6 | G1171 | P1169-G1171 PolarHBondContact O-N 3.18Š| ||
| 1170 | S | 31.4 | Very low | 31.9 | Very low | 124.2 Ų | 124.2 | 137.4 Ų | 137.4 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -91.3 | 134.8 | 174.9 | -46.2 | 0 | 0 | 0 | 0 | 114.4 | I1168 | I1168-S1170 PolarHBondContact O-N 3.16Š| ||
| 1171 | G | 32.9 | Very low | 31.8 | Very low | 66.8 Ų | 66.8 | 135.1 Ų | 135.1 | 69% | 0.689 | 77% | 0.767 | S | S | * | * | trans | 150.1 | 71.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1169 H1173 | P1169-G1171 PolarHBondContact O-N 3.18Å; G1171-H1173 PolarHBondContact O-N 3.36Å | ||
| 1172 | I | 33.9 | Very low | 31.7 | Very low | 160.8 Ų | 160.8 | 139.4 Ų | 139.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -86.7 | 120.4 | 140.9 | -53 | 172.6 | 0 | 0 | 0 | 110.5 | L1174 | I1172-L1174 HydrophobicContact CG2-CD2 4Å; I1172-L1174 HydrophobicContact CG2-CG 4.23Å; I1172-L1174 PolarHBondContact O-N 2.97Å; I1172-L1174 VanDerWaalsContact O-N 3.11Å | ||
| 1173 | H | 32 | Very low | 31.4 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | -110.7 | 128.5 | 171.7 | -123.6 | -91.3 | 0 | 0 | 0 | 111.6 | G1171 T1175 | G1171-H1173 PolarHBondContact O-N 3.36Å; H1173-T1175 PolarHBondContact O-N 2.72Å | ||
| 1174 | L | 34.9 | Very low | 31.2 | Very low | 151.8 Ų | 151.8 | 135 Ų | 135 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | -114.9 | 123.6 | 157.9 | -70 | 176.6 | 0 | 0 | 0 | 111.2 | I1172 E1176 | I1172-L1174 HydrophobicContact CG2-CD2 4Å; I1172-L1174 HydrophobicContact CG2-CG 4.23Å; I1172-L1174 PolarHBondContact O-N 2.97Å; I1172-L1174 VanDerWaalsContact O-N 3.11Å; L1174-E1176 PolarHBondContact O-N 3.36Å; L1174-E1176 VanDerWaalsContact O-N 3.13Å | ||
| 1175 | T | 30.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 63% | 0.632 | 77% | 0.765 | S | S | * | * | trans | -138.4 | 121.6 | 162.7 | 22.8 | 0 | 0 | 0 | 0 | 109 | H1173 | H1173-T1175 PolarHBondContact O-N 2.72Š| ||
| 1176 | E | 33.6 | Very low | 31.1 | Very low | 174.8 Ų | 174.8 | 135.3 Ų | 135.3 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | 141.4 | 120.8 | 164.5 | -87.6 | 165.3 | -150 | 0 | 0 | 113.2 | L1174 | L1174-E1176 PolarHBondContact O-N 3.36Å; L1174-E1176 VanDerWaalsContact O-N 3.13Å | ||
| 1177 | L | 31.8 | Very low | 31 | Very low | 151.6 Ų | 151.6 | 137.4 Ų | 137.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 110.9 | 119.1 | 136 | -120.9 | 114.3 | 0 | 0 | 0 | 112.2 | E1179 | L1177-E1179 PolarHBondContact O-N 3.47Š| ||
| 1178 | E | 31.6 | Very low | 30.9 | Very low | 174.4 Ų | 174.4 | 137.9 Ų | 137.9 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | -75.3 | 144.2 | 145.6 | -68.6 | 167.6 | 147.9 | 0 | 0 | 113.4 | S1180 | E1178-S1180 PolarHBondContact O-N 3.34Å; E1178-S1180 VanDerWaalsContact O-N 3.12Å | ||
| 1179 | E | 30.6 | Very low | 30.7 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 1.8 | 121.4 | 135.2 | -64.2 | -176.8 | 158.2 | 0 | 0 | 116.8 | L1177 I1181 | L1177-E1179 PolarHBondContact O-N 3.47Å; E1179-I1181 HydrophobicContact CB-CD1 4.33Å; E1179-I1181 HydrophobicContact CB-CG1 4.28Å; E1179-I1181 PolarHBondContact O-N 3.46Å | ||
| 1180 | S | 27.2 | Very low | 30.6 | Very low | 108.4 Ų | 108.4 | 138.9 Ų | 138.9 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -96.1 | 121.7 | 145.2 | 80.1 | 0 | 0 | 0 | 0 | 113.6 | E1178 L1182 | E1178-S1180 PolarHBondContact O-N 3.34Å; E1178-S1180 VanDerWaalsContact O-N 3.12Å; S1180-L1182 PolarHBondContact O-N 3.4Å | ||
| 1181 | I | 29.8 | Very low | 30.5 | Very low | 144.2 Ų | 144.2 | 141 Ų | 141 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | 171.3 | 130.3 | 139.1 | -67.1 | 167.2 | 0 | 0 | 0 | 112.5 | E1179 S1183 | E1179-I1181 HydrophobicContact CB-CD1 4.33Å; E1179-I1181 HydrophobicContact CB-CG1 4.28Å; E1179-I1181 PolarHBondContact O-N 3.46Å; I1181-S1183 PolarHBondContact O-N 3.41Å | ||
| 1182 | L | 27.6 | Very low | 30.2 | Very low | 154.2 Ų | 154.2 | 145.5 Ų | 145.5 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -35.2 | 139.2 | 163.7 | -89.5 | 67.6 | 0 | 0 | 0 | 115.8 | S1180 T1184 | S1180-L1182 PolarHBondContact O-N 3.4Å; L1182-T1184 PolarHBondContact O-N 3.22Å | ||
| 1183 | S | 27.4 | Very low | 30.4 | Very low | 96.8 Ų | 96.8 | 142.9 Ų | 142.9 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | 158.6 | 132.8 | 104.2 | -102.5 | 0 | 0 | 0 | 0 | 114.7 | I1181 S1185 | I1181-S1183 PolarHBondContact O-N 3.41Å; S1183-S1185 PolarHBondContact O-N 3.42Å | |||
| 1184 | T | 28.3 | Very low | 30.4 | Very low | 127.8 Ų | 127.8 | 141 Ų | 141 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 44.1 | 120.4 | 137.4 | -40.9 | 0 | 0 | 0 | 0 | 115.7 | L1182 | L1182-T1184 PolarHBondContact O-N 3.22Š| ||
| 1185 | S | 27.4 | Very low | 30.3 | Very low | 96.6 Ų | 96.6 | 141.5 Ų | 141.5 | 68% | 0.676 | 76% | 0.755 | S | S | * | * | trans | 156.4 | 137.7 | 139.2 | 176.8 | 0 | 0 | 0 | 0 | 115.2 | S1183 H1187 | S1183-S1185 PolarHBondContact O-N 3.42Å; S1185-H1187 PolarHBondContact O-N 2.9Å | ||
| 1186 | Q | 30.7 | Very low | 30.5 | Very low | 176.4 Ų | 176.4 | 142.8 Ų | 142.8 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | 160.3 | 130.7 | 144.6 | -95.6 | 162.8 | 23.9 | 0 | 0 | 114.9 | V1188 | Q1186-V1188 PolarHBondContact O-N 3.4Š| ||
| 1187 | H | 28.9 | Very low | 30.4 | Very low | 160.2 Ų | 160.2 | 140.1 Ų | 140.1 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | 70 | 119 | 130 | -156.6 | 78.6 | 0 | 0 | 0 | 115.4 | S1185 | S1185-H1187 PolarHBondContact O-N 2.9Š| |||
| 1188 | V | 30.1 | Very low | 30.6 | Very low | 119.2 Ų | 119.2 | 141 Ų | 141 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -152.2 | 116.3 | 160.3 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | Q1186 | Q1186-V1188 PolarHBondContact O-N 3.4Š| ||
| 1189 | H | 31 | Very low | 30.6 | Very low | 155.6 Ų | 155.6 | 142.5 Ų | 142.5 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | 178.5 | 128.5 | 149.1 | -117.2 | -96.6 | 0 | 0 | 0 | 117.6 | ||||
| 1190 | N | 30 | Very low | 30.8 | Very low | 136.2 Ų | 136.2 | 140.4 Ų | 140.4 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | trans | -105.1 | 139 | 151 | -68.2 | -32.2 | 0 | 0 | 0 | 115.1 | ||||
| 1191 | M | 29.2 | Very low | 31.2 | Very low | 168.8 Ų | 168.8 | 143.2 Ų | 143.2 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | 143.3 | 129.3 | 141.1 | -80.5 | 167.5 | 68.8 | 0 | 0 | 115.5 | ||||
| 1192 | M | 28.4 | Very low | 31.4 | Very low | 161.6 Ų | 161.6 | 139.8 Ų | 139.8 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 175.4 | 141.5 | 135.7 | -93.8 | -78.5 | -110.7 | 0 | 0 | 114.1 | T1194 | M1192-T1194 HydrophobicContact SD-CG2 4.33Š| ||
| 1193 | P | 36.7 | Very low | 31.7 | Very low | 104.6 Ų | 104.6 | 141.5 Ų | 141.5 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | trans | -108.9 | 168 | 179.7 | 36.8 | -26.6 | 0 | 0 | 0 | 112.8 | ||||
| 1194 | T | 32.2 | Very low | 32.1 | Very low | 122.2 Ų | 122.2 | 145.2 Ų | 145.2 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | 125.4 | 136.3 | 165.2 | 34.2 | 0 | 0 | 0 | 0 | 114.1 | M1192 | M1192-T1194 HydrophobicContact SD-CG2 4.33Š| ||
| 1195 | E | 32.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | 87.9 | 142.4 | 152.3 | -82.7 | -153.5 | -163.5 | 0 | 0 | 116 | ||||
| 1196 | N | 34.4 | Very low | 32.8 | Very low | 130.8 Ų | 130.8 | 146.1 Ų | 146.1 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | 152.9 | 130.6 | 94.1 | -84.8 | -23.2 | 0 | 0 | 0 | 116.6 | K1198 | N1196-K1198 PolarHBondContact O-N 3.24Š| |||
| 1197 | V | 33.2 | Very low | 32.9 | Very low | 117.8 Ų | 117.8 | 141.3 Ų | 141.3 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | trans | 31.9 | 126.7 | 149.4 | 174 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1198 | K | 35.8 | Very low | 33.3 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 145.1 | 128.6 | 145.2 | -89.6 | 164.5 | -165.1 | 162.5 | 0 | 113.2 | N1196 | N1196-K1198 PolarHBondContact O-N 3.24Š| ||
| 1199 | R | 31 | Very low | 33.4 | Very low | 205.6 Ų | 205.6 | 145.8 Ų | 145.8 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | 96.3 | 124.1 | 88.4 | -153.6 | -166.8 | -81.5 | -172.7 | -4.6 | 115.7 | |||||
| 1200 | I | 34.1 | Very low | 33.5 | Very low | 128.8 Ų | 128.8 | 148 Ų | 148 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 109.8 | 128.1 | 130.5 | -66.5 | 167.4 | 0 | 0 | 0 | 116.6 | ||||
| 1201 | H | 36.3 | Very low | 33.7 | Very low | 168.8 Ų | 168.8 | 149 Ų | 149 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | 97.4 | 137.6 | 146.6 | -64 | -66.2 | 0 | 0 | 0 | 116.9 | ||||
| 1202 | G | 33.5 | Very low | 33.8 | Very low | 72.8 Ų | 72.8 | 149 Ų | 149 | 75% | 0.751 | 76% | 0.761 | S | S | * | * | 127.8 | 106.2 | 121.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1203 | K | 34.6 | Very low | 34 | Very low | 188.8 Ų | 188.8 | 146.9 Ų | 146.9 | 82% | 0.821 | 76% | 0.757 | S | S | * | * | 175.6 | 150.3 | 50.3 | -74 | -152.8 | 177.7 | -173.3 | 0 | 112.2 | |||||
| 1204 | H | 35.8 | Very low | 33.8 | Very low | 174.6 Ų | 174.6 | 150.9 Ų | 150.9 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | 82.2 | 137.8 | 157.7 | -74.7 | -76.6 | 0 | 0 | 0 | 114.1 | ||||
| 1205 | S | 34.9 | Very low | 33.7 | Very low | 86.6 Ų | 86.6 | 155.1 Ų | 155.1 | 61% | 0.606 | 76% | 0.761 | S | S | * | * | cis | 162.4 | 133.3 | 30.9 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1206 | D | 34.5 | Very low | 33.6 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | 97.5 | 133.5 | 129.9 | -64 | -46.8 | 0 | 0 | 0 | 116.7 | K1208 | D1206-K1208 PolarHBondContact O-N 2.9Š| |||
| 1207 | G | 34.4 | Very low | 33.7 | Very low | 74.4 Ų | 74.4 | 156.5 Ų | 156.5 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -166.3 | 55.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1208 | K | 36.9 | Very low | 33.5 | Very low | 194.8 Ų | 194.8 | 158.4 Ų | 158.4 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | 50.5 | 114.4 | 164.8 | -64.5 | 177.1 | -177.6 | 171.8 | 0 | 117.2 | D1206 | D1206-K1208 PolarHBondContact O-N 2.9Š| ||
| 1209 | K | 32.7 | Very low | 33.4 | Very low | 180.6 Ų | 180.6 | 156.8 Ų | 156.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 60.1 | 113.8 | 130.8 | -63.9 | -171 | 173.4 | -161.6 | 0 | 117.1 | E1211 | K1209-E1211 WeakPolarHBondContact CB-OE1 3.05Å; K1209-E1211 WeakPolarHBondContact CD-OE1 3.41Å; K1209-E1211 WeakPolarHBondContact CG-OE1 3.38Å; K1209-E1211 IonicContact NZ-OE1 3.62Å; K1209-E1211 IonicContact NZ-OE2 2.78Å; K1209-E1211 PolarHBondContact NZ-OE2 2.96Å | ||
| 1210 | F | 32.8 | Very low | 33.4 | Very low | 201 Ų | 201 | 154.1 Ų | 154.1 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | -152.8 | 123 | 114.2 | -97 | -87.1 | 0 | 0 | 0 | 109.3 | |||||
| 1211 | E | 33.5 | Very low | 33.2 | Very low | 156.4 Ų | 156.4 | 155.3 Ų | 155.3 | 73% | 0.731 | 76% | 0.763 | S | S | * | * | trans | -163.4 | 146.7 | 133.3 | -147.3 | 141 | -148.6 | 0 | 0 | 109.8 | K1209 | K1209-E1211 WeakPolarHBondContact CB-OE1 3.05Å; K1209-E1211 WeakPolarHBondContact CD-OE1 3.41Å; K1209-E1211 WeakPolarHBondContact CG-OE1 3.38Å; K1209-E1211 IonicContact NZ-OE1 3.62Å; K1209-E1211 IonicContact NZ-OE2 2.78Å; K1209-E1211 PolarHBondContact NZ-OE2 2.96Å | ||
| 1212 | Q | 31.2 | Very low | 33 | Very low | 170.2 Ų | 170.2 | 153.6 Ų | 153.6 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | trans | 112.9 | 136 | 167.5 | -147.9 | 178.1 | 33.4 | 0 | 0 | 116.2 | ||||
| 1213 | V | 33.4 | Very low | 32.8 | Very low | 116.8 Ų | 116.8 | 155.7 Ų | 155.7 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | 110.8 | 137.4 | 154.5 | 165.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1214 | R | 31.6 | Very low | 32.7 | Very low | 189.8 Ų | 189.8 | 153.7 Ų | 153.7 | 72% | 0.716 | 74% | 0.742 | S | S | * | * | trans | 80.3 | 127.3 | 168.1 | -82.4 | 175.5 | -164.1 | 167 | -1.2 | 116.1 | N608 N610 | N608-R1214 VanDerWaalsContact ND2-C 3.27Å; N608-R1214 WeakPolarHBondContact ND2-CB 3.45Å; N608-R1214 WeakPolarHBondContact ND2-CD 3.35Å; N608-R1214 WeakPolarHBondContact ND2-CG 3.35Å; N610-R1214 PolarHBondContact ND2-NE 3.48Å; N610-R1214 VanDerWaalsContact ND2-NE 3.2Å; N610-R1214 PolarHBondContact ND2-NH2 2.94Å; N610-R1214 PolarHBondContact OD1-NE 3.44Å | ||
| 1215 | R | 31 | Very low | 32.5 | Very low | 209.8 Ų | 209.8 | 152 Ų | 152 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | trans | 128.1 | 127.1 | 141.1 | -69.1 | 169.6 | -174.9 | 127 | -0.6 | 112.7 | F607 N608 | F607-R1215 HydrophobicContact CB-CG 4.1Å; F607-R1215 VanDerWaalsContact O-CD 3.24Å; F607-R1215 WeakPolarHBondContact O-CD 3.33Å; F607-R1215 WeakPolarHBondContact O-CG 3.47Å; F607-R1215 PolarHBondContact O-NE 2.94Å; N608-R1215 HydrophobicContact CB-CG 4.06Å; N608-R1215 VanDerWaalsContact CG-CG 3.48Å; N608-R1215 WeakPolarHBondContact ND2-CA 3.29Å; N608-R1215 WeakPolarHBondContact ND2-CD 3.5Å; N608-R1215 WeakPolarHBondContact ND2-CG 2.87Å; N608-R1215 PolarHBondContact ND2-N 2.92Å; N608-R1215 PolarHBondContact ND2-NE 2.83Å; N608-R1215 VanDerWaalsContact ND2-NE 3.1Å; N608-R1215 PolarHBondContact OD1-N 3.4Å | ||
| 1216 | N | 30.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | 163.7 | 109.8 | 110.9 | -137.7 | -4.3 | 0 | 0 | 0 | 111.4 | S606 F607 | S606-N1216 WeakPolarHBondContact CA-ND2 3.38Å; S606-N1216 WeakPolarHBondContact CB-ND2 3.43Å; F607-N1216 HydrophobicContact CB-CB 3.71Å; F607-N1216 VanDerWaalsContact CB-CG 3.44Å; F607-N1216 HydrophobicContact CD1-CB 4.23Å; F607-N1216 WeakPolarHBondContact CD1-OD1 3.24Å; F607-N1216 HydrophobicContact CD2-CB 4.15Å; F607-N1216 WeakPolarHBondContact CD2-ND2 3.04Å; F607-N1216 WeakPolarHBondContact CD2-OD1 3.32Å; F607-N1216 WeakPolarHBondContact CE1-OD1 3.38Å; F607-N1216 VanDerWaalsContact CE2-CG 3.46Å; F607-N1216 WeakPolarHBondContact CE2-OD1 3.41Å; F607-N1216 HydrophobicContact CG-CB 3.76Å; F607-N1216 WeakPolarHBondContact CG-ND2 3.33Å; F607-N1216 WeakPolarHBondContact CG-OD1 3.34Å; F607-N1216 WeakPolarHBondContact CZ-OD1 3.34Å; F607-N1216 PolarHBondContact N-ND2 3.47Å | |||
| 1217 | K | 35.2 | Very low | 32.1 | Very low | 179.6 Ų | 179.6 | 152.8 Ų | 152.8 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | -107.4 | 127.9 | 171.3 | -64.1 | -174.3 | 177.7 | -173.2 | 0 | 110.6 | F607 L1219 | F607-K1217 HydrophobicContact CD1-CB 4.25Å; F607-K1217 HydrophobicContact CD1-CG 4.13Å; F607-K1217 VanDerWaalsContact CD1-N 3.33Å; F607-K1217 HydrophobicContact CE1-CB 3.34Å; F607-K1217 HydrophobicContact CE1-CD 3.99Å; F607-K1217 HydrophobicContact CE1-CG 3.53Å; F607-K1217 HydrophobicContact CZ-CB 3.79Å; F607-K1217 HydrophobicContact CZ-CG 4.45Å; F607-K1217 WeakPolarHBondContact CZ-O 3.33Å; K1217-L1219 HydrophobicContact CB-CB 3.95Å; K1217-L1219 HydrophobicContact CB-CD1 4.22Å; K1217-L1219 HydrophobicContact CB-CG 4.03Å; K1217-L1219 HydrophobicContact CD-CD1 3.87Å; K1217-L1219 HydrophobicContact CD-CG 3.93Å; K1217-L1219 PolarHBondContact O-N 3.17Å | ||
| 1218 | H | 29.9 | Very low | 31.9 | Very low | 158.4 Ų | 158.4 | 156.8 Ų | 156.8 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | 175.8 | 107.6 | 109.7 | -136.8 | -23.6 | 0 | 0 | 0 | 110.5 | H1220 | H1218-H1220 AromaticContact CE1-CD2 3.54Å; H1218-H1220 PolarHBondContact CE1-CD2 3.21Å; H1218-H1220 AromaticContact CE1-CE1 3.64Å; H1218-H1220 AromaticContact CE1-CG 3.78Å; H1218-H1220 AromaticContact CE1-ND1 4Å; H1218-H1220 AromaticContact CE1-NE2 3.26Å; H1218-H1220 PolarHBondContact CE1-NE2 3.23Å; H1218-H1220 AromaticContact ND1-CD2 3.52Å; H1218-H1220 PolarHBondContact ND1-CD2 3.42Å; H1218-H1220 AromaticContact ND1-NE2 3.7Å; H1218-H1220 PolarHBondContact ND1-NE2 3.39Å; H1218-H1220 AromaticContact NE2-NE2 3.6Å; H1218-H1220 PolarHBondContact O-N 3.35Å | |||
| 1219 | L | 32.1 | Very low | 31.6 | Very low | 136.6 Ų | 136.6 | 155.4 Ų | 155.4 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | -132.2 | 127.2 | 128.5 | -112.6 | 156.1 | 0 | 0 | 0 | 110 | K1217 H1221 | K1217-L1219 HydrophobicContact CB-CB 3.95Å; K1217-L1219 HydrophobicContact CB-CD1 4.22Å; K1217-L1219 HydrophobicContact CB-CG 4.03Å; K1217-L1219 HydrophobicContact CD-CD1 3.87Å; K1217-L1219 HydrophobicContact CD-CG 3.93Å; K1217-L1219 PolarHBondContact O-N 3.17Å; L1219-H1221 PolarHBondContact O-N 3.13Å | |||
| 1220 | H | 31.3 | Very low | 31.4 | Very low | 149 Ų | 149 | 152 Ų | 152 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | trans | -43 | 132.1 | 165.5 | -72.8 | -91.6 | 0 | 0 | 0 | 111.7 | H1218 | H1218-H1220 AromaticContact CE1-CD2 3.54Å; H1218-H1220 PolarHBondContact CE1-CD2 3.21Å; H1218-H1220 AromaticContact CE1-CE1 3.64Å; H1218-H1220 AromaticContact CE1-CG 3.78Å; H1218-H1220 AromaticContact CE1-ND1 4Å; H1218-H1220 AromaticContact CE1-NE2 3.26Å; H1218-H1220 PolarHBondContact CE1-NE2 3.23Å; H1218-H1220 AromaticContact ND1-CD2 3.52Å; H1218-H1220 PolarHBondContact ND1-CD2 3.42Å; H1218-H1220 AromaticContact ND1-NE2 3.7Å; H1218-H1220 PolarHBondContact ND1-NE2 3.39Å; H1218-H1220 AromaticContact NE2-NE2 3.6Å; H1218-H1220 PolarHBondContact O-N 3.35Å | ||
| 1221 | H | 31.6 | Very low | 31.3 | Very low | 154.4 Ų | 154.4 | 148 Ų | 148 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | trans | -134.6 | 131 | 144.1 | -124 | 60.3 | 0 | 0 | 0 | 112 | L1219 | L1219-H1221 PolarHBondContact O-N 3.13Š| ||
| 1222 | L | 31.9 | Very low | 31.1 | Very low | 133.4 Ų | 133.4 | 143.8 Ų | 143.8 | 70% | 0.698 | 72% | 0.719 | S | S | * | * | -143 | 153.2 | 108.6 | -90.7 | 174.5 | 0 | 0 | 0 | 112.7 | |||||
| 1223 | H | 29.5 | Very low | 31 | Very low | 116.2 Ų | 116.2 | 142.7 Ų | 142.7 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | cis | -176.3 | 143.2 | 11.1 | -149.6 | 40.2 | 0 | 0 | 0 | 111.5 | Q1225 E1570 N1571 | H1223-Q1225 PolarHBondContact NE2-OE1 3.42Å; H1223-E1570 VanDerWaalsContact CD2-CD 3.44Å; H1223-E1570 IonicContact CD2-OE1 3.61Å; H1223-E1570 PolarHBondContact CD2-OE1 2.8Å; H1223-E1570 IonicContact CD2-OE2 2.65Å; H1223-E1570 IonicContact CG-OE1 3.51Å; H1223-E1570 IonicContact NE2-OE1 3.77Å; H1223-E1570 IonicContact NE2-OE2 3.74Å; H1223-N1571 HydrophobicContact CB-CB 3.63Å; H1223-N1571 VanDerWaalsContact CB-CG 3.48Å; H1223-N1571 WeakPolarHBondContact CB-ND2 3.39Å | ||
| 1224 | E | 32.1 | Very low | 31.1 | Very low | 147.8 Ų | 147.8 | 144.4 Ų | 144.4 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | trans | 61.3 | 145.8 | 145 | -104.2 | 174.3 | 163.1 | 0 | 0 | 115.3 | ||||
| 1225 | Q | 30 | Very low | 31.1 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | -122.3 | 156.1 | -87.5 | -143.2 | 175 | -21.4 | 0 | 0 | 111.6 | H1223 N1227 | H1223-Q1225 PolarHBondContact NE2-OE1 3.42Å; Q1225-N1227 PolarHBondContact NE2-ND2 3.25Å | |||
| 1226 | M | 30.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 70% | 0.704 | 73% | 0.728 | S | S | * | * | trans | -101.7 | 143.6 | 161.3 | -111.4 | -178.5 | -58.8 | 0 | 0 | 113.6 | Q1228 | M1226-Q1228 PolarHBondContact O-N 2.79Š| ||
| 1227 | N | 30.9 | Very low | 31.3 | Very low | 116.4 Ų | 116.4 | 139 Ų | 139 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | -102.1 | 142 | 126.9 | -79.7 | -19.6 | 0 | 0 | 0 | 113.8 | Q1225 | Q1225-N1227 PolarHBondContact NE2-ND2 3.25Š| |||
| 1228 | Q | 31.6 | Very low | 31.2 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | -174.8 | 149.1 | 112.5 | -89.1 | 175.6 | 8.7 | 0 | 0 | 114.4 | M1226 | M1226-Q1228 PolarHBondContact O-N 2.79Š| |||
| 1229 | E | 29.8 | Very low | 31.6 | Very low | 166.6 Ų | 166.6 | 134.6 Ų | 134.6 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -99.7 | 153.9 | 154.2 | -73 | 152.9 | 144.2 | 0 | 0 | 114.4 | ||||
| 1230 | S | 29.5 | Very low | 32 | Very low | 108.6 Ų | 108.6 | 134.1 Ų | 134.1 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | 128.1 | 139.8 | 145.4 | 152.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1231 | S | 30 | Very low | 32.5 | Very low | 117.8 Ų | 117.8 | 132 Ų | 132 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | 57.2 | 99.8 | 124 | 69.4 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1232 | G | 29.4 | Very low | 32.9 | Very low | 67.8 Ų | 67.8 | 131.1 Ų | 131.1 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | 166.7 | 94.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1234 | G1232-N1234 PolarHBondContact O-N 3.21Š| ||
| 1233 | N | 29.7 | Very low | 33.4 | Very low | 146.2 Ų | 146.2 | 132.4 Ų | 132.4 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | trans | -107.1 | 110.3 | 159.4 | -96 | -26.5 | 0 | 0 | 0 | 113.4 | N1235 | N1233-N1235 PolarHBondContact O-N 3.12Š| ||
| 1234 | N | 34 | Very low | 34 | Very low | 153.2 Ų | 153.2 | 131.3 Ų | 131.3 | 82% | 0.819 | 72% | 0.716 | S | S | * | * | trans | -97.3 | 98.2 | 160.3 | -71.9 | -32 | 0 | 0 | 0 | 110.3 | G1232 L1236 | G1232-N1234 PolarHBondContact O-N 3.21Å; N1234-L1236 VanDerWaalsContact C-N 3.35Å; N1234-L1236 PolarHBondContact O-N 2.9Å | ||
| 1235 | N | 31.4 | Very low | 34.3 | Very low | 136.8 Ų | 136.8 | 126.5 Ų | 126.5 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | -129.5 | 73.4 | 158.5 | -90.9 | -25.3 | 0 | 0 | 0 | 112.9 | N1233 V1237 | N1233-N1235 PolarHBondContact O-N 3.12Å; N1235-V1237 PolarHBondContact O-N 3.4Å | ||
| 1236 | L | 32.4 | Very low | 34.7 | Very low | 164.8 Ų | 164.8 | 122.9 Ų | 122.9 | 86% | 0.863 | 70% | 0.696 | S | S | * | * | trans | -93.6 | 91.2 | 159.5 | -81.7 | 161.9 | 0 | 0 | 0 | 110.5 | N1234 S1238 | N1234-L1236 VanDerWaalsContact C-N 3.35Å; N1234-L1236 PolarHBondContact O-N 2.9Å; L1236-S1238 PolarHBondContact O-N 3.03Å | ||
| 1237 | V | 34.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | -68.7 | 125.7 | 158.6 | 175.7 | 0 | 0 | 0 | 0 | 107 | N1235 L1239 D1241 | N1235-V1237 PolarHBondContact O-N 3.4Å; V1237-L1239 PolarHBondContact O-N 3.28Å; V1237-D1241 HydrophobicContact CG1-CB 3.66Å | ||
| 1238 | S | 33 | Very low | 35.8 | Very low | 81.2 Ų | 81.2 | 123.6 Ų | 123.6 | 57% | 0.568 | 70% | 0.697 | S | S | * | * | trans | -66.8 | 142.1 | -171.8 | -100.6 | 0 | 0 | 0 | 0 | 111.7 | L1236 N1240 D1241 | L1236-S1238 PolarHBondContact O-N 3.03Å; S1238-N1240 PolarHBondContact O-N 3.09Å; S1238-N1240 VanDerWaalsContact O-N 3.15Å; S1238-N1240 PolarHBondContact OG-OD1 2.93Å; S1238-D1241 PolarHBondContact N-OD2 3.07Å; S1238-D1241 WeakPolarHBondContact O-CB 3.36Å; S1238-D1241 PolarHBondContact O-N 3.15Å | ||
| 1239 | L | 38.5 | Very low | 36.3 | Very low | 163.8 Ų | 163.8 | 122.4 Ų | 122.4 | 86% | 0.858 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 24.5 | 178.4 | -98 | 161.2 | 0 | 0 | 0 | 113.2 | V1237 D1241 L1242 E1243 | V1237-L1239 PolarHBondContact O-N 3.28Å; L1239-D1241 PolarHBondContact O-N 3.23Å; L1239-L1242 HydrophobicContact CD2-CB 4.41Å; L1239-L1242 HydrophobicContact CD2-CD2 4.28Å; L1239-L1242 WeakPolarHBondContact O-CB 3.38Å; L1239-L1242 PolarHBondContact O-N 2.84Å; L1239-L1242 VanDerWaalsContact O-N 3.1Å; L1239-E1243 PolarHBondContact O-N 2.98Å |
| 1240 | N | 39.5 | Very low | 37 | Very low | 126 Ų | 126 | 122 Ų | 122 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -19.4 | 178.4 | -85.3 | 40.6 | 0 | 0 | 0 | 113.5 | S1238 L1242 E1243 N1244 | S1238-N1240 PolarHBondContact O-N 3.09Å; S1238-N1240 VanDerWaalsContact O-N 3.15Å; S1238-N1240 PolarHBondContact OG-OD1 2.93Å; N1240-L1242 VanDerWaalsContact C-N 3.31Å; N1240-L1242 PolarHBondContact O-N 3.14Å; N1240-L1242 VanDerWaalsContact O-N 3.09Å; N1240-E1243 PolarHBondContact O-N 2.85Å; N1240-N1244 WeakPolarHBondContact O-CB 3.43Å; N1240-N1244 PolarHBondContact O-N 2.85Å; N1240-N1244 PolarHBondContact O-ND2 3.16Å |
| 1241 | D | 41.4 | Very low | 37.5 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 56% | 0.556 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 4.3 | -178.2 | -68.6 | -25.8 | 0 | 0 | 0 | 113.6 | V1237 S1238 L1239 E1243 N1244 A1245 | V1237-D1241 HydrophobicContact CG1-CB 3.66Å; S1238-D1241 PolarHBondContact N-OD2 3.07Å; S1238-D1241 WeakPolarHBondContact O-CB 3.36Å; S1238-D1241 PolarHBondContact O-N 3.15Å; L1239-D1241 PolarHBondContact O-N 3.23Å; D1241-E1243 PolarHBondContact O-N 3.15Å; D1241-N1244 HydrophobicContact CB-CB 4.47Å; D1241-N1244 WeakPolarHBondContact O-CB 3.45Å; D1241-N1244 PolarHBondContact O-N 2.91Å; D1241-N1244 VanDerWaalsContact O-N 3.13Å; D1241-N1244 PolarHBondContact OD1-ND2 2.98Å; D1241-N1244 PolarHBondContact OD2-ND2 3.07Å; D1241-N1244 VanDerWaalsContact OD2-ND2 3.08Å; D1241-A1245 VanDerWaalsContact O-CB 3.28Å; D1241-A1245 WeakPolarHBondContact O-CB 3.28Å; D1241-A1245 PolarHBondContact O-N 3.06Å |
| 1242 | L | 42 | Very low | 37.9 | Very low | 136.4 Ų | 136.4 | 123.8 Ų | 123.8 | 71% | 0.714 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -27.4 | 177.8 | -165.3 | 66.4 | 0 | 0 | 0 | 112.4 | L1239 N1240 N1244 A1245 A1246 | L1239-L1242 HydrophobicContact CD2-CB 4.41Å; L1239-L1242 HydrophobicContact CD2-CD2 4.28Å; L1239-L1242 WeakPolarHBondContact O-CB 3.38Å; L1239-L1242 PolarHBondContact O-N 2.84Å; L1239-L1242 VanDerWaalsContact O-N 3.1Å; N1240-L1242 VanDerWaalsContact C-N 3.31Å; N1240-L1242 PolarHBondContact O-N 3.14Å; N1240-L1242 VanDerWaalsContact O-N 3.09Å; L1242-N1244 VanDerWaalsContact C-N 3.32Å; L1242-N1244 PolarHBondContact O-N 3.36Å; L1242-A1245 HydrophobicContact CD1-CB 4.39Å; L1242-A1245 WeakPolarHBondContact O-CB 3.33Å; L1242-A1245 PolarHBondContact O-N 3.36Å; L1242-A1246 PolarHBondContact O-N 3.07Å; L1242-A1246 VanDerWaalsContact O-N 3.09Å |
| 1243 | E | 41.2 | Very low | 38.5 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.3 | -37.8 | 175.1 | -160.5 | 159.5 | -149.1 | 0 | 0 | 111.3 | L1239 N1240 D1241 A1245 A1246 E1247 | L1239-E1243 PolarHBondContact O-N 2.98Å; N1240-E1243 PolarHBondContact O-N 2.85Å; D1241-E1243 PolarHBondContact O-N 3.15Å; E1243-A1245 VanDerWaalsContact C-N 3.28Å; E1243-A1245 PolarHBondContact O-N 3.06Å; E1243-A1246 WeakPolarHBondContact O-CB 3.4Å; E1243-A1246 PolarHBondContact O-N 3.21Å; E1243-A1246 VanDerWaalsContact O-N 3.11Å; E1243-E1247 PolarHBondContact O-N 3.21Å |
| 1244 | N | 41.7 | Very low | 38.8 | Very low | 93.2 Ų | 93.2 | 128.5 Ų | 128.5 | 50% | 0.498 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -66.8 | -25.1 | 172.4 | -76.4 | 1.9 | 0 | 0 | 0 | 113.1 | N1240 D1241 L1242 A1246 E1247 I1248 | N1240-N1244 WeakPolarHBondContact O-CB 3.43Å; N1240-N1244 PolarHBondContact O-N 2.85Å; N1240-N1244 PolarHBondContact O-ND2 3.16Å; D1241-N1244 HydrophobicContact CB-CB 4.47Å; D1241-N1244 WeakPolarHBondContact O-CB 3.45Å; D1241-N1244 PolarHBondContact O-N 2.91Å; D1241-N1244 VanDerWaalsContact O-N 3.13Å; D1241-N1244 PolarHBondContact OD1-ND2 2.98Å; D1241-N1244 PolarHBondContact OD2-ND2 3.07Å; D1241-N1244 VanDerWaalsContact OD2-ND2 3.08Å; L1242-N1244 VanDerWaalsContact C-N 3.32Å; L1242-N1244 PolarHBondContact O-N 3.36Å; N1244-A1246 VanDerWaalsContact C-N 3.28Å; N1244-A1246 PolarHBondContact O-N 3.01Å; N1244-E1247 PolarHBondContact O-N 3.24Å; N1244-I1248 WeakPolarHBondContact O-CD1 3.39Å; N1244-I1248 VanDerWaalsContact O-CG1 3.28Å; N1244-I1248 WeakPolarHBondContact O-CG1 3.26Å; N1244-I1248 PolarHBondContact O-N 3.04Å; N1244-I1248 VanDerWaalsContact O-N 3.1Å |
| 1245 | A | 38.7 | Very low | 39.1 | Very low | 46.4 Ų | 46.4 | 127 Ų | 127 | 38% | 0.383 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.5 | -22.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1241 L1242 E1243 L1249 | D1241-A1245 VanDerWaalsContact O-CB 3.28Å; D1241-A1245 WeakPolarHBondContact O-CB 3.28Å; D1241-A1245 PolarHBondContact O-N 3.06Å; L1242-A1245 HydrophobicContact CD1-CB 4.39Å; L1242-A1245 WeakPolarHBondContact O-CB 3.33Å; L1242-A1245 PolarHBondContact O-N 3.36Å; E1243-A1245 VanDerWaalsContact C-N 3.28Å; E1243-A1245 PolarHBondContact O-N 3.06Å; A1245-L1249 WeakPolarHBondContact O-CG 3.41Å; A1245-L1249 PolarHBondContact O-N 3.05Å |
| 1246 | A | 38.7 | Very low | 39.8 | Very low | 64.2 Ų | 64.2 | 125.6 Ų | 125.6 | 53% | 0.531 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -74.6 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1242 E1243 N1244 I1248 L1249 E1250 | L1242-A1246 PolarHBondContact O-N 3.07Å; L1242-A1246 VanDerWaalsContact O-N 3.09Å; E1243-A1246 WeakPolarHBondContact O-CB 3.4Å; E1243-A1246 PolarHBondContact O-N 3.21Å; E1243-A1246 VanDerWaalsContact O-N 3.11Å; N1244-A1246 VanDerWaalsContact C-N 3.28Å; N1244-A1246 PolarHBondContact O-N 3.01Å; A1246-I1248 VanDerWaalsContact C-N 3.26Å; A1246-I1248 PolarHBondContact O-N 2.94Å; A1246-I1248 VanDerWaalsContact O-N 3.15Å; A1246-L1249 PolarHBondContact O-N 3.22Å; A1246-L1249 VanDerWaalsContact O-N 3.13Å; A1246-E1250 PolarHBondContact O-N 3.04Å |
| 1247 | E | 41.6 | Very low | 40.4 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.2 | -33.4 | 176 | -85.5 | -169.1 | 150.9 | 0 | 0 | 112.2 | E1243 N1244 L1249 E1250 E1251 | E1243-E1247 PolarHBondContact O-N 3.21Å; N1244-E1247 PolarHBondContact O-N 3.24Å; E1247-L1249 PolarHBondContact O-N 3.06Å; E1247-L1249 VanDerWaalsContact O-N 3.09Å; E1247-E1250 WeakPolarHBondContact O-CB 3.3Å; E1247-E1250 PolarHBondContact O-N 3.17Å; E1247-E1250 VanDerWaalsContact O-N 3.09Å; E1247-E1251 PolarHBondContact O-N 3.09Å |
| 1248 | I | 42.6 | Very low | 40.8 | Very low | 132.8 Ų | 132.8 | 128.9 Ų | 128.9 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -16.2 | 179.1 | -50.4 | 170.5 | 0 | 0 | 0 | 112.3 | N1244 A1246 | N1244-I1248 WeakPolarHBondContact O-CD1 3.39Å; N1244-I1248 VanDerWaalsContact O-CG1 3.28Å; N1244-I1248 WeakPolarHBondContact O-CG1 3.26Å; N1244-I1248 PolarHBondContact O-N 3.04Å; N1244-I1248 VanDerWaalsContact O-N 3.1Å; A1246-I1248 VanDerWaalsContact C-N 3.26Å; A1246-I1248 PolarHBondContact O-N 2.94Å; A1246-I1248 VanDerWaalsContact O-N 3.15Å |
| 1249 | L | 42 | Very low | 41.7 | Very low | 132.6 Ų | 132.6 | 134.4 Ų | 134.4 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -93.1 | -8.1 | 173.7 | -66.9 | 176.1 | 0 | 0 | 0 | 113.5 | A1245 A1246 E1247 E1251 V1252 | A1245-L1249 WeakPolarHBondContact O-CG 3.41Å; A1245-L1249 PolarHBondContact O-N 3.05Å; A1246-L1249 PolarHBondContact O-N 3.22Å; A1246-L1249 VanDerWaalsContact O-N 3.13Å; E1247-L1249 PolarHBondContact O-N 3.06Å; E1247-L1249 VanDerWaalsContact O-N 3.09Å; L1249-E1251 VanDerWaalsContact C-N 3.33Å; L1249-E1251 PolarHBondContact O-N 2.93Å; L1249-V1252 WeakPolarHBondContact O-CG2 3.47Å; L1249-V1252 PolarHBondContact O-N 3.39Å |
| 1250 | E | 44.9 | Very low | 42.5 | Very low | 159.2 Ų | 159.2 | 130.6 Ų | 130.6 | 74% | 0.744 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -21.3 | 175.1 | -161 | 172.1 | -169.4 | 0 | 0 | 112.4 | A1246 E1247 V1252 | A1246-E1250 PolarHBondContact O-N 3.04Å; E1247-E1250 WeakPolarHBondContact O-CB 3.3Å; E1247-E1250 PolarHBondContact O-N 3.17Å; E1247-E1250 VanDerWaalsContact O-N 3.09Å; E1250-V1252 VanDerWaalsContact C-N 3.27Å; E1250-V1252 PolarHBondContact O-N 3.07Å; E1250-V1252 VanDerWaalsContact O-N 3.13Å |
| 1251 | E | 40.3 | Very low | 43 | Very low | 167.8 Ų | 167.8 | 136 Ų | 136 | 78% | 0.784 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 26.5 | 175.6 | -129.8 | -169.4 | -179.2 | 0 | 0 | 113.9 | E1247 L1249 P1253 | E1247-E1251 PolarHBondContact O-N 3.09Å; L1249-E1251 VanDerWaalsContact C-N 3.33Å; L1249-E1251 PolarHBondContact O-N 2.93Å; E1251-P1253 VanDerWaalsContact O-CD 3.28Å; E1251-P1253 WeakPolarHBondContact O-CD 3.3Å; E1251-P1253 VanDerWaalsContact O-N 3.11Å |
| 1252 | V | 39.1 | Very low | 43.7 | Very low | 96.4 Ų | 96.4 | 136.6 Ų | 136.6 | 58% | 0.584 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -70 | 113.6 | 163.8 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | L1249 E1250 Y1254 | L1249-V1252 WeakPolarHBondContact O-CG2 3.47Å; L1249-V1252 PolarHBondContact O-N 3.39Å; E1250-V1252 VanDerWaalsContact C-N 3.27Å; E1250-V1252 PolarHBondContact O-N 3.07Å; E1250-V1252 VanDerWaalsContact O-N 3.13Å; V1252-Y1254 PolarHBondContact O-N 2.88Å; V1252-Y1254 VanDerWaalsContact O-N 3.07Å |
| 1253 | P | 40.7 | Very low | 44.6 | Very low | 105.2 Ų | 105.2 | 133.2 Ų | 133.2 | 68% | 0.683 | 68% | 0.675 | S | S | * | * | trans | -67.2 | 108.4 | -175.4 | 18.6 | -22.6 | 0 | 0 | 0 | 109.2 | E1251 V1255 | E1251-P1253 VanDerWaalsContact O-CD 3.28Å; E1251-P1253 WeakPolarHBondContact O-CD 3.3Å; E1251-P1253 VanDerWaalsContact O-N 3.11Å; P1253-V1255 VanDerWaalsContact C-N 3.33Å; P1253-V1255 PolarHBondContact O-N 3.15Å | ||
| 1254 | Y | 35.5 | Very low | 46.1 | Very low | 206.8 Ų | 206.8 | 129.5 Ų | 129.5 | 81% | 0.811 | 66% | 0.66 | S | S | * | * | trans | -50.4 | 102.9 | 173.5 | -86 | -89.5 | 0 | 0 | 0 | 109.5 | V1252 V1256 | V1252-Y1254 PolarHBondContact O-N 2.88Å; V1252-Y1254 VanDerWaalsContact O-N 3.07Å; Y1254-V1256 PolarHBondContact O-N 3.32Å | ||
| 1255 | V | 41.7 | Very low | 47.7 | Very low | 123.2 Ų | 123.2 | 130.1 Ų | 130.1 | 75% | 0.747 | 67% | 0.667 | S | S | * | * | trans | -72.8 | 79.7 | 171 | -176 | 0 | 0 | 0 | 0 | 106.8 | P1253 L1257 | P1253-V1255 VanDerWaalsContact C-N 3.33Å; P1253-V1255 PolarHBondContact O-N 3.15Å; V1255-L1257 VanDerWaalsContact C-N 3.33Å; V1255-L1257 HydrophobicContact CG1-CD2 4.34Å; V1255-L1257 HydrophobicContact CG1-CG 4.35Å; V1255-L1257 PolarHBondContact O-N 3.02Å | ||
| 1256 | V | 45.3 | Very low | 49.8 | Very low | 106.8 Ų | 106.8 | 135.7 Ų | 135.7 | 65% | 0.647 | 68% | 0.683 | S | S | * | * | trans | -63.4 | 94.3 | 170.1 | 179.9 | 0 | 0 | 0 | 0 | 106.4 | Y1254 R1258 | Y1254-V1256 PolarHBondContact O-N 3.32Å; V1256-R1258 VanDerWaalsContact C-N 3.28Å; V1256-R1258 HydrophobicContact CG1-CG 4.34Å; V1256-R1258 PolarHBondContact O-N 3.21Å | ||
| 1257 | L | 45.6 | Very low | 51.8 | Low | 144.8 Ų | 144.8 | 138.6 Ų | 138.6 | 76% | 0.758 | 69% | 0.685 | S | S | * | * | trans | -59.1 | 87.3 | 167.6 | -76 | 169.6 | 0 | 0 | 0 | 107.5 | V1255 R1259 Y1268 | V1255-L1257 VanDerWaalsContact C-N 3.33Å; V1255-L1257 HydrophobicContact CG1-CD2 4.34Å; V1255-L1257 HydrophobicContact CG1-CG 4.35Å; V1255-L1257 PolarHBondContact O-N 3.02Å; L1257-R1259 VanDerWaalsContact C-N 3.27Å; L1257-R1259 PolarHBondContact O-N 3.21Å; L1257-Y1268 PolarHBondContact O-OH 3.17Å | ||
| 1258 | R | 43.7 | Very low | 53.8 | Low | 215.2 Ų | 215.2 | 136.9 Ų | 136.9 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | trans | -62.1 | 108.4 | 176.3 | -74.2 | -175.7 | 172.7 | 151 | 0.2 | 107.1 | V1256 P1260 | V1256-R1258 VanDerWaalsContact C-N 3.28Å; V1256-R1258 HydrophobicContact CG1-CG 4.34Å; V1256-R1258 PolarHBondContact O-N 3.21Å; R1258-P1260 WeakPolarHBondContact O-CD 3.22Å; R1258-P1260 VanDerWaalsContact O-N 3.08Å | ||
| 1259 | R | 51 | Low | 55.9 | Low | 196.4 Ų | 196.4 | 135.8 Ų | 135.8 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | trans | -37.5 | 120.4 | 175.1 | -97.7 | -176.8 | 172.2 | 164.2 | -2.4 | 109.2 | L1257 R1261 V1263 D1264 V1265 Y1268 | L1257-R1259 VanDerWaalsContact C-N 3.27Å; L1257-R1259 PolarHBondContact O-N 3.21Å; R1259-R1261 PolarHBondContact O-N 3.32Å; R1259-R1261 VanDerWaalsContact O-N 3.17Å; R1259-V1263 VanDerWaalsContact CZ-O 3.24Å; R1259-V1263 PolarHBondContact NE-O 3.1Å; R1259-V1263 PolarHBondContact NH2-O 2.65Å; R1259-D1264 PolarHBondContact NE-O 3.4Å; R1259-D1264 VanDerWaalsContact NH2-C 3.3Å; R1259-V1265 VanDerWaalsContact NH2-N 3.1Å; R1259-Y1268 HydrophobicContact CB-CD1 3.82Å; R1259-Y1268 HydrophobicContact CB-CD2 3.9Å; R1259-Y1268 HydrophobicContact CB-CE1 3.8Å; R1259-Y1268 HydrophobicContact CB-CE2 3.89Å; R1259-Y1268 HydrophobicContact CB-CG 3.86Å; R1259-Y1268 HydrophobicContact CG-CD1 3.94Å; R1259-Y1268 HydrophobicContact CG-CD2 3.71Å; R1259-Y1268 HydrophobicContact CG-CE1 4.42Å; R1259-Y1268 HydrophobicContact CG-CE2 4.22Å; R1259-Y1268 HydrophobicContact CG-CG 3.55Å | ||
| 1260 | P | 54.7 | Low | 58.2 | Low | 85 Ų | 85 | 135 Ų | 135 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | trans | -55.3 | 121.5 | -176.8 | -16.8 | 21.8 | 0 | 0 | 0 | 109.3 | R1258 S1262 V1263 | R1258-P1260 WeakPolarHBondContact O-CD 3.22Å; R1258-P1260 VanDerWaalsContact O-N 3.08Å; P1260-S1262 PolarHBondContact O-N 2.97Å; P1260-V1263 HydrophobicContact CB-CB 3.96Å; P1260-V1263 HydrophobicContact CB-CG2 3.73Å; P1260-V1263 HydrophobicContact CG-CG2 4.29Å; P1260-V1263 PolarHBondContact O-N 3.13Å; P1260-V1263 VanDerWaalsContact O-N 3.14Å | ||
| 1261 | R | 51.5 | Low | 60.3 | Low | 238.2 Ų | 238.2 | 132.3 Ų | 132.3 | 90% | 0.899 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 76.1 | -171.7 | -69.6 | -170.6 | 162.1 | -178.4 | 0.9 | 110.8 | R1259 V1263 | R1259-R1261 PolarHBondContact O-N 3.32Å; R1259-R1261 VanDerWaalsContact O-N 3.17Å; R1261-V1263 PolarHBondContact O-N 2.95Å |
| 1262 | S | 56.1 | Low | 62.7 | Low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.9 | 42.4 | -178.8 | 54.6 | 0 | 0 | 0 | 0 | 113 | P1260 D1264 | P1260-S1262 PolarHBondContact O-N 2.97Å; S1262-D1264 PolarHBondContact O-N 3.31Å |
| 1263 | V | 60.3 | Low | 65.1 | Low | 64.6 Ų | 64.6 | 127.2 Ų | 127.2 | 39% | 0.392 | 62% | 0.62 | S | S | . | * | trans | -75.4 | 134.5 | 166.7 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | R1259 P1260 R1261 V1265 Q1267 | R1259-V1263 VanDerWaalsContact CZ-O 3.24Å; R1259-V1263 PolarHBondContact NE-O 3.1Å; R1259-V1263 PolarHBondContact NH2-O 2.65Å; P1260-V1263 HydrophobicContact CB-CB 3.96Å; P1260-V1263 HydrophobicContact CB-CG2 3.73Å; P1260-V1263 HydrophobicContact CG-CG2 4.29Å; P1260-V1263 PolarHBondContact O-N 3.13Å; P1260-V1263 VanDerWaalsContact O-N 3.14Å; R1261-V1263 PolarHBondContact O-N 2.95Å; V1263-V1265 PolarHBondContact O-N 3.06Å; V1263-Q1267 HydrophobicContact CG1-CB 3.85Å; V1263-Q1267 HydrophobicContact CG1-CG 4.16Å | ||
| 1264 | D | 72.3 | Confident | 67.5 | Low | 83 Ų | 83 | 127 Ų | 127 | 44% | 0.444 | 61% | 0.61 | S | S | . | * | trans | -58.4 | 135.2 | 175.6 | -177.2 | -1.7 | 0 | 0 | 0 | 109.3 | R1259 S1262 K1266 Q1267 Y1268 | R1259-D1264 PolarHBondContact NE-O 3.4Å; R1259-D1264 VanDerWaalsContact NH2-C 3.3Å; S1262-D1264 PolarHBondContact O-N 3.31Å; D1264-K1266 VanDerWaalsContact C-N 3.32Å; D1264-K1266 PolarHBondContact O-N 3.13Å; D1264-K1266 VanDerWaalsContact O-N 3.11Å; D1264-K1266 WeakPolarHBondContact OD1-CB 3.06Å; D1264-K1266 PolarHBondContact OD1-N 3.08Å; D1264-K1266 VanDerWaalsContact OD2-CB 3.3Å; D1264-K1266 WeakPolarHBondContact OD2-CB 3.25Å; D1264-K1266 PolarHBondContact OD2-N 3.03Å; D1264-Q1267 HydrophobicContact CB-CB 4.22Å; D1264-Q1267 HydrophobicContact CB-CG 4.13Å; D1264-Q1267 WeakPolarHBondContact O-CA 3.34Å; D1264-Q1267 WeakPolarHBondContact O-CB 3.42Å; D1264-Q1267 PolarHBondContact O-N 3.2Å; D1264-Y1268 WeakPolarHBondContact O-CB 3.42Å; D1264-Y1268 PolarHBondContact O-N 3.27Å | ||
| 1265 | V | 76.1 | Confident | 70.2 | Confident | 106.2 Ų | 106.2 | 121.9 Ų | 121.9 | 64% | 0.644 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -54.1 | -35.2 | 177.2 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | R1259 V1263 Y1268 Q1269 | R1259-V1265 VanDerWaalsContact NH2-N 3.1Å; V1263-V1265 PolarHBondContact O-N 3.06Å; V1265-Y1268 PolarHBondContact O-N 3Å; V1265-Q1269 VanDerWaalsContact O-CB 3.29Å; V1265-Q1269 WeakPolarHBondContact O-CB 3.26Å; V1265-Q1269 PolarHBondContact O-N 3.19Å |
| 1266 | K | 82.3 | Confident | 72.4 | Confident | 163.2 Ų | 163.2 | 124.6 Ų | 124.6 | 71% | 0.71 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.5 | -39.4 | 176.3 | -61.1 | -177.8 | 177.5 | -174.9 | 0 | 113 | D1264 Q1269 L1270 | D1264-K1266 VanDerWaalsContact C-N 3.32Å; D1264-K1266 PolarHBondContact O-N 3.13Å; D1264-K1266 VanDerWaalsContact O-N 3.11Å; D1264-K1266 WeakPolarHBondContact OD1-CB 3.06Å; D1264-K1266 PolarHBondContact OD1-N 3.08Å; D1264-K1266 VanDerWaalsContact OD2-CB 3.3Å; D1264-K1266 WeakPolarHBondContact OD2-CB 3.25Å; D1264-K1266 PolarHBondContact OD2-N 3.03Å; K1266-Q1269 PolarHBondContact O-N 3.18Å; K1266-L1270 VanDerWaalsContact O-CB 3.27Å; K1266-L1270 WeakPolarHBondContact O-CB 3.36Å; K1266-L1270 PolarHBondContact O-N 3.18Å |
| 1267 | Q | 79.8 | Confident | 74.5 | Confident | 126 Ų | 126 | 124.7 Ų | 124.7 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.6 | -39.8 | 175.5 | -88.5 | -178.3 | -41.3 | 0 | 0 | 111.5 | V1263 D1264 Q1269 L1270 H1271 | V1263-Q1267 HydrophobicContact CG1-CB 3.85Å; V1263-Q1267 HydrophobicContact CG1-CG 4.16Å; D1264-Q1267 HydrophobicContact CB-CB 4.22Å; D1264-Q1267 HydrophobicContact CB-CG 4.13Å; D1264-Q1267 WeakPolarHBondContact O-CA 3.34Å; D1264-Q1267 WeakPolarHBondContact O-CB 3.42Å; D1264-Q1267 PolarHBondContact O-N 3.2Å; Q1267-Q1269 VanDerWaalsContact C-N 3.34Å; Q1267-L1270 PolarHBondContact O-N 3.46Å; Q1267-H1271 VanDerWaalsContact O-CB 3.32Å; Q1267-H1271 WeakPolarHBondContact O-CB 3.32Å; Q1267-H1271 PolarHBondContact O-N 3.11Å |
| 1268 | Y | 84.7 | Confident | 76.5 | Confident | 103.2 Ų | 103.2 | 122.8 Ų | 122.8 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.8 | -41.2 | 174.9 | -172.9 | -104.7 | 0 | 0 | 0 | 111.9 | L1257 R1259 D1264 V1265 L1270 H1271 L1272 | L1257-Y1268 PolarHBondContact O-OH 3.17Å; R1259-Y1268 HydrophobicContact CB-CD1 3.82Å; R1259-Y1268 HydrophobicContact CB-CD2 3.9Å; R1259-Y1268 HydrophobicContact CB-CE1 3.8Å; R1259-Y1268 HydrophobicContact CB-CE2 3.89Å; R1259-Y1268 HydrophobicContact CB-CG 3.86Å; R1259-Y1268 HydrophobicContact CG-CD1 3.94Å; R1259-Y1268 HydrophobicContact CG-CD2 3.71Å; R1259-Y1268 HydrophobicContact CG-CE1 4.42Å; R1259-Y1268 HydrophobicContact CG-CE2 4.22Å; R1259-Y1268 HydrophobicContact CG-CG 3.55Å; D1264-Y1268 WeakPolarHBondContact O-CB 3.42Å; D1264-Y1268 PolarHBondContact O-N 3.27Å; V1265-Y1268 PolarHBondContact O-N 3Å; Y1268-L1270 PolarHBondContact O-N 2.98Å; Y1268-H1271 WeakPolarHBondContact O-CB 3.38Å; Y1268-H1271 PolarHBondContact O-N 3.35Å; Y1268-L1272 HydrophobicContact CD1-CD1 4.23Å; Y1268-L1272 HydrophobicContact CD2-CD1 4.36Å; Y1268-L1272 HydrophobicContact CE1-CD1 3.82Å; Y1268-L1272 HydrophobicContact CE1-CD2 4.43Å; Y1268-L1272 HydrophobicContact CE2-CD1 3.85Å; Y1268-L1272 HydrophobicContact CG-CD1 4.37Å; Y1268-L1272 VanDerWaalsContact CZ-CD1 3.45Å; Y1268-L1272 WeakPolarHBondContact O-CB 3.14Å; Y1268-L1272 PolarHBondContact O-N 3.08Å |
| 1269 | Q | 87.3 | Confident | 78.2 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.2 | -44.8 | 175.8 | -168.9 | 79.5 | 37 | 0 | 0 | 111.8 | V1265 K1266 Q1267 H1271 L1272 E1273 | V1265-Q1269 VanDerWaalsContact O-CB 3.29Å; V1265-Q1269 WeakPolarHBondContact O-CB 3.26Å; V1265-Q1269 PolarHBondContact O-N 3.19Å; K1266-Q1269 PolarHBondContact O-N 3.18Å; Q1267-Q1269 VanDerWaalsContact C-N 3.34Å; Q1269-H1271 VanDerWaalsContact C-N 3.3Å; Q1269-H1271 PolarHBondContact O-N 3.28Å; Q1269-L1272 PolarHBondContact O-N 3.19Å; Q1269-E1273 WeakPolarHBondContact O-CB 3.41Å; Q1269-E1273 PolarHBondContact O-N 3.1Å |
| 1270 | L | 89.8 | Confident | 79.4 | Confident | 115.6 Ų | 115.6 | 108.9 Ų | 108.9 | 61% | 0.605 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -38.2 | 176.5 | -172.8 | 85.6 | 0 | 0 | 0 | 112 | K1266 Q1267 Y1268 L1272 E1273 H1274 | K1266-L1270 VanDerWaalsContact O-CB 3.27Å; K1266-L1270 WeakPolarHBondContact O-CB 3.36Å; K1266-L1270 PolarHBondContact O-N 3.18Å; Q1267-L1270 PolarHBondContact O-N 3.46Å; Y1268-L1270 PolarHBondContact O-N 2.98Å; L1270-L1272 VanDerWaalsContact C-N 3.33Å; L1270-L1272 PolarHBondContact O-N 3.45Å; L1270-E1273 PolarHBondContact O-N 3.36Å; L1270-H1274 WeakPolarHBondContact O-CB 3.41Å; L1270-H1274 PolarHBondContact O-N 3.29Å |
| 1271 | H | 89.4 | Confident | 80.2 | Confident | 102.4 Ų | 102.4 | 109.3 Ų | 109.3 | 47% | 0.474 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.4 | 177.6 | 67.7 | 0 | 0 | 0 | 112 | Q1267 Y1268 Q1269 E1273 H1274 Q1275 | Q1267-H1271 VanDerWaalsContact O-CB 3.32Å; Q1267-H1271 WeakPolarHBondContact O-CB 3.32Å; Q1267-H1271 PolarHBondContact O-N 3.11Å; Y1268-H1271 WeakPolarHBondContact O-CB 3.38Å; Y1268-H1271 PolarHBondContact O-N 3.35Å; Q1269-H1271 VanDerWaalsContact C-N 3.3Å; Q1269-H1271 PolarHBondContact O-N 3.28Å; H1271-E1273 VanDerWaalsContact C-N 3.33Å; H1271-E1273 PolarHBondContact O-N 3.15Å; H1271-H1274 PolarHBondContact O-N 3.04Å; H1271-Q1275 WeakPolarHBondContact O-CB 3.38Å; H1271-Q1275 VanDerWaalsContact O-CG 3.3Å; H1271-Q1275 WeakPolarHBondContact O-CG 3.38Å; H1271-Q1275 PolarHBondContact O-N 3.15Å |
| 1272 | L | 90.5 | Very high | 81.3 | Confident | 53 Ų | 53 | 103.9 Ų | 103.9 | 28% | 0.277 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 175.5 | -133.6 | 73.1 | 0 | 0 | 0 | 112.2 | Y1268 Q1269 L1270 Q1275 R1276 | Y1268-L1272 HydrophobicContact CD1-CD1 4.23Å; Y1268-L1272 HydrophobicContact CD2-CD1 4.36Å; Y1268-L1272 HydrophobicContact CE1-CD1 3.82Å; Y1268-L1272 HydrophobicContact CE1-CD2 4.43Å; Y1268-L1272 HydrophobicContact CE2-CD1 3.85Å; Y1268-L1272 HydrophobicContact CG-CD1 4.37Å; Y1268-L1272 VanDerWaalsContact CZ-CD1 3.45Å; Y1268-L1272 WeakPolarHBondContact O-CB 3.14Å; Y1268-L1272 PolarHBondContact O-N 3.08Å; Q1269-L1272 PolarHBondContact O-N 3.19Å; L1270-L1272 VanDerWaalsContact C-N 3.33Å; L1270-L1272 PolarHBondContact O-N 3.45Å; L1272-Q1275 PolarHBondContact O-N 3.22Å; L1272-R1276 WeakPolarHBondContact O-CB 3.21Å; L1272-R1276 VanDerWaalsContact O-CG 3.32Å; L1272-R1276 WeakPolarHBondContact O-CG 3.3Å; L1272-R1276 PolarHBondContact O-N 3.07Å; L1272-R1276 VanDerWaalsContact O-N 3.13Å |
| 1273 | E | 88.8 | Confident | 82 | Confident | 103.6 Ų | 103.6 | 101.4 Ų | 101.4 | 48% | 0.484 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 175 | -170.2 | 176.6 | 179 | 0 | 0 | 111.4 | Q1269 L1270 H1271 Q1275 R1276 Q1277 | Q1269-E1273 WeakPolarHBondContact O-CB 3.41Å; Q1269-E1273 PolarHBondContact O-N 3.1Å; L1270-E1273 PolarHBondContact O-N 3.36Å; H1271-E1273 VanDerWaalsContact C-N 3.33Å; H1271-E1273 PolarHBondContact O-N 3.15Å; E1273-Q1275 VanDerWaalsContact C-N 3.29Å; E1273-Q1275 PolarHBondContact O-N 3.19Å; E1273-R1276 WeakPolarHBondContact O-CB 3.37Å; E1273-R1276 PolarHBondContact O-N 3.09Å; E1273-R1276 VanDerWaalsContact O-N 3.16Å; E1273-Q1277 WeakPolarHBondContact O-CB 3.08Å; E1273-Q1277 WeakPolarHBondContact O-CG 3.32Å; E1273-Q1277 PolarHBondContact O-N 3.21Å; E1273-Q1277 PolarHBondContact OE1-NE2 2.88Å |
| 1274 | H | 91 | Very high | 82.3 | Confident | 102.2 Ų | 102.2 | 100.7 Ų | 100.7 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 174.8 | -173.6 | -115.6 | 0 | 0 | 0 | 112.1 | L1270 H1271 R1276 Q1277 Q1278 | L1270-H1274 WeakPolarHBondContact O-CB 3.41Å; L1270-H1274 PolarHBondContact O-N 3.29Å; H1271-H1274 PolarHBondContact O-N 3.04Å; H1274-R1276 VanDerWaalsContact C-N 3.32Å; H1274-R1276 PolarHBondContact O-N 3.3Å; H1274-Q1277 PolarHBondContact O-N 3.1Å; H1274-Q1278 VanDerWaalsContact CE1-CD 3.44Å; H1274-Q1278 PolarHBondContact CE1-NE2 3.14Å; H1274-Q1278 VanDerWaalsContact CE1-NE2 3.35Å; H1274-Q1278 PolarHBondContact CE1-OE1 3.02Å; H1274-Q1278 PolarHBondContact ND1-OE1 3.18Å; H1274-Q1278 VanDerWaalsContact O-CB 3.32Å; H1274-Q1278 WeakPolarHBondContact O-CB 3.31Å; H1274-Q1278 WeakPolarHBondContact O-CG 3.42Å; H1274-Q1278 PolarHBondContact O-N 3.21Å |
| 1275 | Q | 91.6 | Very high | 81.8 | Confident | 100.2 Ų | 100.2 | 100.2 Ų | 100.2 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 174.6 | -90.7 | -152.9 | -40.1 | 0 | 0 | 112.4 | H1271 L1272 E1273 Q1277 Q1278 A1279 | H1271-Q1275 WeakPolarHBondContact O-CB 3.38Å; H1271-Q1275 VanDerWaalsContact O-CG 3.3Å; H1271-Q1275 WeakPolarHBondContact O-CG 3.38Å; H1271-Q1275 PolarHBondContact O-N 3.15Å; L1272-Q1275 PolarHBondContact O-N 3.22Å; E1273-Q1275 VanDerWaalsContact C-N 3.29Å; E1273-Q1275 PolarHBondContact O-N 3.19Å; Q1275-Q1277 VanDerWaalsContact C-N 3.32Å; Q1275-Q1277 PolarHBondContact O-N 2.96Å; Q1275-Q1278 PolarHBondContact O-N 3.24Å; Q1275-A1279 VanDerWaalsContact O-CB 3.25Å; Q1275-A1279 WeakPolarHBondContact O-CB 3.37Å; Q1275-A1279 PolarHBondContact O-N 3.32Å |
| 1276 | R | 88.1 | Confident | 81 | Confident | 178.6 Ų | 178.6 | 99.3 Ų | 99.3 | 67% | 0.674 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 173.4 | -76.6 | 174.2 | 164.4 | -176.4 | -3.5 | 112.2 | L1272 E1273 H1274 A1279 A1280 | L1272-R1276 WeakPolarHBondContact O-CB 3.21Å; L1272-R1276 VanDerWaalsContact O-CG 3.32Å; L1272-R1276 WeakPolarHBondContact O-CG 3.3Å; L1272-R1276 PolarHBondContact O-N 3.07Å; L1272-R1276 VanDerWaalsContact O-N 3.13Å; E1273-R1276 WeakPolarHBondContact O-CB 3.37Å; E1273-R1276 PolarHBondContact O-N 3.09Å; E1273-R1276 VanDerWaalsContact O-N 3.16Å; H1274-R1276 VanDerWaalsContact C-N 3.32Å; H1274-R1276 PolarHBondContact O-N 3.3Å; R1276-A1279 PolarHBondContact O-N 3.25Å; R1276-A1280 VanDerWaalsContact O-CB 3.29Å; R1276-A1280 WeakPolarHBondContact O-CB 3.41Å; R1276-A1280 PolarHBondContact O-N 3.19Å |
| 1277 | Q | 90.1 | Very high | 79.2 | Confident | 109.6 Ų | 109.6 | 94 Ų | 94 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 175.2 | -85.1 | 170.4 | 7 | 0 | 0 | 111.4 | E1273 H1274 Q1275 A1279 A1280 V1281 | E1273-Q1277 WeakPolarHBondContact O-CB 3.08Å; E1273-Q1277 WeakPolarHBondContact O-CG 3.32Å; E1273-Q1277 PolarHBondContact O-N 3.21Å; E1273-Q1277 PolarHBondContact OE1-NE2 2.88Å; H1274-Q1277 PolarHBondContact O-N 3.1Å; Q1275-Q1277 VanDerWaalsContact C-N 3.32Å; Q1275-Q1277 PolarHBondContact O-N 2.96Å; Q1277-A1279 VanDerWaalsContact C-N 3.34Å; Q1277-A1279 PolarHBondContact O-N 3.11Å; Q1277-A1280 PolarHBondContact O-N 3.34Å; Q1277-V1281 WeakPolarHBondContact O-CB 3.29Å; Q1277-V1281 VanDerWaalsContact O-CG2 3.27Å; Q1277-V1281 WeakPolarHBondContact O-CG2 3.23Å; Q1277-V1281 PolarHBondContact O-N 3.26Å |
| 1278 | Q | 87.3 | Confident | 77.1 | Confident | 105 Ų | 105 | 91.1 Ų | 91.1 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 175 | -108.5 | -179.3 | -25.1 | 0 | 0 | 112.2 | H1274 Q1275 V1281 L1282 | H1274-Q1278 VanDerWaalsContact CE1-CD 3.44Å; H1274-Q1278 PolarHBondContact CE1-NE2 3.14Å; H1274-Q1278 VanDerWaalsContact CE1-NE2 3.35Å; H1274-Q1278 PolarHBondContact CE1-OE1 3.02Å; H1274-Q1278 PolarHBondContact ND1-OE1 3.18Å; H1274-Q1278 VanDerWaalsContact O-CB 3.32Å; H1274-Q1278 WeakPolarHBondContact O-CB 3.31Å; H1274-Q1278 WeakPolarHBondContact O-CG 3.42Å; H1274-Q1278 PolarHBondContact O-N 3.21Å; Q1275-Q1278 PolarHBondContact O-N 3.24Å; Q1278-V1281 PolarHBondContact O-N 2.97Å; Q1278-L1282 HydrophobicContact CG-CD1 4.37Å; Q1278-L1282 WeakPolarHBondContact O-CB 3.4Å; Q1278-L1282 WeakPolarHBondContact O-CG 3.45Å; Q1278-L1282 PolarHBondContact O-N 3.13Å |
| 1279 | A | 79.4 | Confident | 74.7 | Confident | 58.4 Ų | 58.4 | 95.4 Ų | 95.4 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1275 R1276 Q1277 V1281 L1282 A1283 | Q1275-A1279 VanDerWaalsContact O-CB 3.25Å; Q1275-A1279 WeakPolarHBondContact O-CB 3.37Å; Q1275-A1279 PolarHBondContact O-N 3.32Å; R1276-A1279 PolarHBondContact O-N 3.25Å; Q1277-A1279 VanDerWaalsContact C-N 3.34Å; Q1277-A1279 PolarHBondContact O-N 3.11Å; A1279-V1281 PolarHBondContact O-N 2.98Å; A1279-L1282 PolarHBondContact O-N 3.16Å; A1279-A1283 VanDerWaalsContact O-CB 3.31Å; A1279-A1283 WeakPolarHBondContact O-CB 3.41Å; A1279-A1283 PolarHBondContact O-N 3.11Å |
| 1280 | A | 77.3 | Confident | 72.5 | Confident | 60 Ų | 60 | 94.9 Ų | 94.9 | 50% | 0.496 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1276 Q1277 A1283 A1284 | R1276-A1280 VanDerWaalsContact O-CB 3.29Å; R1276-A1280 WeakPolarHBondContact O-CB 3.41Å; R1276-A1280 PolarHBondContact O-N 3.19Å; Q1277-A1280 PolarHBondContact O-N 3.34Å; A1280-A1283 PolarHBondContact O-N 3.16Å; A1280-A1284 VanDerWaalsContact O-CB 3.28Å; A1280-A1284 WeakPolarHBondContact O-CB 3.37Å; A1280-A1284 PolarHBondContact O-N 3.06Å |
| 1281 | V | 71.5 | Confident | 69.9 | Low | 95.2 Ų | 95.2 | 96.8 Ų | 96.8 | 58% | 0.577 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 173.9 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | Q1277 Q1278 A1279 A1283 A1284 A1285 | Q1277-V1281 WeakPolarHBondContact O-CB 3.29Å; Q1277-V1281 VanDerWaalsContact O-CG2 3.27Å; Q1277-V1281 WeakPolarHBondContact O-CG2 3.23Å; Q1277-V1281 PolarHBondContact O-N 3.26Å; Q1278-V1281 PolarHBondContact O-N 2.97Å; A1279-V1281 PolarHBondContact O-N 2.98Å; V1281-A1283 VanDerWaalsContact C-N 3.34Å; V1281-A1283 PolarHBondContact O-N 3.25Å; V1281-A1284 PolarHBondContact O-N 3.13Å; V1281-A1285 VanDerWaalsContact O-CB 3.24Å; V1281-A1285 WeakPolarHBondContact O-CB 3.31Å; V1281-A1285 PolarHBondContact O-N 3.1Å |
| 1282 | L | 74 | Confident | 67.4 | Low | 123.8 Ų | 123.8 | 99.5 Ų | 99.5 | 65% | 0.648 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.7 | -42.3 | 175.4 | -94.2 | 152.3 | 0 | 0 | 0 | 112.2 | Q1278 A1279 A1284 A1285 A1286 | Q1278-L1282 HydrophobicContact CG-CD1 4.37Å; Q1278-L1282 WeakPolarHBondContact O-CB 3.4Å; Q1278-L1282 WeakPolarHBondContact O-CG 3.45Å; Q1278-L1282 PolarHBondContact O-N 3.13Å; A1279-L1282 PolarHBondContact O-N 3.16Å; L1282-A1284 VanDerWaalsContact C-N 3.34Å; L1282-A1284 PolarHBondContact O-N 3.17Å; L1282-A1285 PolarHBondContact O-N 3.04Å; L1282-A1286 WeakPolarHBondContact O-CB 3.26Å; L1282-A1286 PolarHBondContact O-N 3.14Å |
| 1283 | A | 70.4 | Confident | 64.8 | Low | 66.4 Ų | 66.4 | 104.3 Ų | 104.3 | 55% | 0.549 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.8 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1279 A1280 V1281 A1285 A1286 G1287 | A1279-A1283 VanDerWaalsContact O-CB 3.31Å; A1279-A1283 WeakPolarHBondContact O-CB 3.41Å; A1279-A1283 PolarHBondContact O-N 3.11Å; A1280-A1283 PolarHBondContact O-N 3.16Å; V1281-A1283 VanDerWaalsContact C-N 3.34Å; V1281-A1283 PolarHBondContact O-N 3.25Å; A1283-A1285 VanDerWaalsContact C-N 3.34Å; A1283-A1286 PolarHBondContact O-N 3.14Å; A1283-G1287 WeakPolarHBondContact O-CA 3.47Å; A1283-G1287 PolarHBondContact O-N 3.11Å |
| 1284 | A | 65.8 | Low | 62.2 | Low | 49.6 Ų | 49.6 | 109.2 Ų | 109.2 | 41% | 0.41 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -71.3 | -33.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1280 V1281 L1282 G1287 F1291 | A1280-A1284 VanDerWaalsContact O-CB 3.28Å; A1280-A1284 WeakPolarHBondContact O-CB 3.37Å; A1280-A1284 PolarHBondContact O-N 3.06Å; V1281-A1284 PolarHBondContact O-N 3.13Å; L1282-A1284 VanDerWaalsContact C-N 3.34Å; L1282-A1284 PolarHBondContact O-N 3.17Å; A1284-G1287 PolarHBondContact O-N 3.13Å; A1284-F1291 HydrophobicContact CB-CE2 3.58Å; A1284-F1291 HydrophobicContact CB-CZ 3.55Å; A1284-F1291 VanDerWaalsContact CB-CZ 3.48Å |
| 1285 | A | 61.7 | Low | 59.3 | Low | 71.6 Ų | 71.6 | 112.6 Ų | 112.6 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.5 | -36.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1281 L1282 A1283 G1287 G1288 | V1281-A1285 VanDerWaalsContact O-CB 3.24Å; V1281-A1285 WeakPolarHBondContact O-CB 3.31Å; V1281-A1285 PolarHBondContact O-N 3.1Å; L1282-A1285 PolarHBondContact O-N 3.04Å; A1283-A1285 VanDerWaalsContact C-N 3.34Å; A1285-G1287 VanDerWaalsContact C-N 3.27Å; A1285-G1287 PolarHBondContact O-N 3.07Å; A1285-G1288 PolarHBondContact O-N 3.06Å |
| 1286 | A | 59.4 | Low | 56.6 | Low | 88.6 Ų | 88.6 | 113.7 Ų | 113.7 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.9 | -19.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1282 A1283 G1288 | L1282-A1286 WeakPolarHBondContact O-CB 3.26Å; L1282-A1286 PolarHBondContact O-N 3.14Å; A1283-A1286 PolarHBondContact O-N 3.14Å; A1286-G1288 VanDerWaalsContact C-N 3.28Å; A1286-G1288 PolarHBondContact O-N 3.34Å; A1286-G1288 VanDerWaalsContact O-N 3.13Å |
| 1287 | G | 45.2 | Very low | 53.9 | Low | 50 Ų | 50 | 111.1 Ų | 111.1 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | 36.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1283 A1284 A1285 Y1289 | A1283-G1287 WeakPolarHBondContact O-CA 3.47Å; A1283-G1287 PolarHBondContact O-N 3.11Å; A1284-G1287 PolarHBondContact O-N 3.13Å; A1285-G1287 VanDerWaalsContact C-N 3.27Å; A1285-G1287 PolarHBondContact O-N 3.07Å; G1287-Y1289 VanDerWaalsContact C-N 3.25Å; G1287-Y1289 WeakPolarHBondContact O-CD2 3.35Å; G1287-Y1289 PolarHBondContact O-N 3Å; G1287-Y1289 VanDerWaalsContact O-N 3.14Å |
| 1288 | G | 36.6 | Very low | 51 | Low | 65.4 Ų | 65.4 | 109.4 Ų | 109.4 | 67% | 0.674 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.4 | 13.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1285 A1286 P1290 | A1285-G1288 PolarHBondContact O-N 3.06Å; A1286-G1288 VanDerWaalsContact C-N 3.28Å; A1286-G1288 PolarHBondContact O-N 3.34Å; A1286-G1288 VanDerWaalsContact O-N 3.13Å; G1288-P1290 WeakPolarHBondContact O-CD 3.4Å |
| 1289 | Y | 34.3 | Very low | 48.4 | Very low | 194.4 Ų | 194.4 | 108.9 Ų | 108.9 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | trans | -80.9 | 123.4 | -178.9 | -91.5 | -94.4 | 0 | 0 | 0 | 111.8 | G1287 F1291 | G1287-Y1289 VanDerWaalsContact C-N 3.25Å; G1287-Y1289 WeakPolarHBondContact O-CD2 3.35Å; G1287-Y1289 PolarHBondContact O-N 3Å; G1287-Y1289 VanDerWaalsContact O-N 3.14Å; Y1289-F1291 PolarHBondContact O-N 3.11Å; Y1289-F1291 VanDerWaalsContact O-N 3.11Å | ||
| 1290 | P | 40 | Very low | 46.1 | Very low | 99.8 Ų | 99.8 | 114.8 Ų | 114.8 | 65% | 0.648 | 69% | 0.686 | S | S | * | * | trans | -75.4 | 107.9 | 172.2 | 29.9 | -31.4 | 0 | 0 | 0 | 109.6 | G1288 H1292 | G1288-P1290 WeakPolarHBondContact O-CD 3.4Å; P1290-H1292 VanDerWaalsContact C-N 3.32Å; P1290-H1292 PolarHBondContact O-CD2 2.93Å; P1290-H1292 VanDerWaalsContact O-CD2 3.32Å; P1290-H1292 PolarHBondContact O-N 3.17Å; P1290-H1292 VanDerWaalsContact O-N 3.07Å | ||
| 1291 | F | 35.8 | Very low | 43.8 | Very low | 155.6 Ų | 155.6 | 122.2 Ų | 122.2 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | -67.9 | 95.4 | 168.4 | -87 | -97.8 | 0 | 0 | 0 | 109.7 | A1284 Y1289 L1293 | A1284-F1291 HydrophobicContact CB-CE2 3.58Å; A1284-F1291 HydrophobicContact CB-CZ 3.55Å; A1284-F1291 VanDerWaalsContact CB-CZ 3.48Å; Y1289-F1291 PolarHBondContact O-N 3.11Å; Y1289-F1291 VanDerWaalsContact O-N 3.11Å; F1291-L1293 VanDerWaalsContact C-N 3.25Å; F1291-L1293 HydrophobicContact CD1-CD1 4.4Å; F1291-L1293 PolarHBondContact O-N 2.99Å; F1291-L1293 VanDerWaalsContact O-N 3.14Å | ||
| 1292 | H | 37.2 | Very low | 42.1 | Very low | 157.8 Ų | 157.8 | 122.9 Ų | 122.9 | 73% | 0.731 | 71% | 0.709 | S | S | * | * | trans | -71.6 | 98.3 | 162.7 | -82.7 | -81.9 | 0 | 0 | 0 | 108.9 | P1290 Y1294 | P1290-H1292 VanDerWaalsContact C-N 3.32Å; P1290-H1292 PolarHBondContact O-CD2 2.93Å; P1290-H1292 VanDerWaalsContact O-CD2 3.32Å; P1290-H1292 PolarHBondContact O-N 3.17Å; P1290-H1292 VanDerWaalsContact O-N 3.07Å; H1292-Y1294 VanDerWaalsContact C-N 3.33Å; H1292-Y1294 PolarHBondContact O-N 3.26Å; H1292-Y1294 VanDerWaalsContact O-N 3.09Å | ||
| 1293 | L | 35.7 | Very low | 40 | Very low | 155.4 Ų | 155.4 | 126.1 Ų | 126.1 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | trans | -69.6 | 99.4 | 168.9 | -90.9 | 160.9 | 0 | 0 | 0 | 109.2 | F1291 Q1295 | F1291-L1293 VanDerWaalsContact C-N 3.25Å; F1291-L1293 HydrophobicContact CD1-CD1 4.4Å; F1291-L1293 PolarHBondContact O-N 2.99Å; F1291-L1293 VanDerWaalsContact O-N 3.14Å; L1293-Q1295 VanDerWaalsContact C-N 3.29Å; L1293-Q1295 PolarHBondContact O-N 3.25Å | ||
| 1294 | Y | 33.4 | Very low | 38.3 | Very low | 205.2 Ų | 205.2 | 128.4 Ų | 128.4 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -54 | 98.8 | 162.7 | -87.9 | -87 | 0 | 0 | 0 | 112 | H1292 T1296 | H1292-Y1294 VanDerWaalsContact C-N 3.33Å; H1292-Y1294 PolarHBondContact O-N 3.26Å; H1292-Y1294 VanDerWaalsContact O-N 3.09Å; Y1294-T1296 PolarHBondContact O-N 3.03Å; Y1294-T1296 PolarHBondContact O-OG1 3Å | ||
| 1295 | Q | 30.7 | Very low | 36.7 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -60.5 | 104.9 | 163 | -164.5 | -179.1 | 9.3 | 0 | 0 | 110.6 | L1293 P1297 | L1293-Q1295 VanDerWaalsContact C-N 3.29Å; L1293-Q1295 PolarHBondContact O-N 3.25Å; Q1295-P1297 VanDerWaalsContact C-CD 3.4Å; Q1295-P1297 WeakPolarHBondContact O-CD 3.41Å | ||
| 1296 | T | 34 | Very low | 35.4 | Very low | 122.2 Ų | 122.2 | 138.5 Ų | 138.5 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | -114.6 | 122.2 | 163.3 | -7.3 | 0 | 0 | 0 | 0 | 110.3 | Y1294 G1298 | Y1294-T1296 PolarHBondContact O-N 3.03Å; Y1294-T1296 PolarHBondContact O-OG1 3Å; T1296-G1298 PolarHBondContact O-N 3.1Å | ||
| 1297 | P | 32.5 | Very low | 34.2 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -76.7 | 141.5 | 178.1 | -5.9 | 19.7 | 0 | 0 | 0 | 111.6 | Q1295 A1299 | Q1295-P1297 VanDerWaalsContact C-CD 3.4Å; Q1295-P1297 WeakPolarHBondContact O-CD 3.41Å; P1297-A1299 PolarHBondContact O-N 3.21Å | ||
| 1298 | G | 28.5 | Very low | 33.7 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -109.3 | 135.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1296 H1300 | T1296-G1298 PolarHBondContact O-N 3.1Å; G1298-H1300 PolarHBondContact O-N 3.19Å | ||
| 1299 | A | 32.4 | Very low | 33.7 | Very low | 93.8 Ų | 93.8 | 149.3 Ų | 149.3 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | 82.8 | 121.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1297 Y1301 | P1297-A1299 PolarHBondContact O-N 3.21Å; A1299-Y1301 PolarHBondContact O-N 3.47Å | ||
| 1300 | H | 32 | Very low | 33.5 | Very low | 181.8 Ų | 181.8 | 143.2 Ų | 143.2 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -21.4 | 128.3 | 165 | -83.2 | -100.5 | 0 | 0 | 0 | 114.9 | G1298 P1302 | G1298-H1300 PolarHBondContact O-N 3.19Å; H1300-P1302 WeakPolarHBondContact O-CD 3.49Å | ||
| 1301 | Y | 28.5 | Very low | 33.4 | Very low | 216.2 Ų | 216.2 | 144.1 Ų | 144.1 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -72.4 | 136.9 | 148.8 | -88.7 | -86.5 | 0 | 0 | 0 | 111.7 | A1299 | A1299-Y1301 PolarHBondContact O-N 3.47Š| ||
| 1302 | P | 35.8 | Very low | 33.4 | Very low | 109.2 Ų | 109.2 | 144.8 Ų | 144.8 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -119.2 | 153.5 | 153.6 | 30.1 | -15.9 | 0 | 0 | 0 | 114.2 | H1300 T1304 | H1300-P1302 WeakPolarHBondContact O-CD 3.49Å; P1302-T1304 PolarHBondContact O-N 3.25Å | ||
| 1303 | F | 30.3 | Very low | 33.2 | Very low | 190.6 Ų | 190.6 | 145.3 Ų | 145.3 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -53.8 | 114.8 | 167.3 | -108 | -93 | 0 | 0 | 0 | 113.2 | ||||
| 1304 | T | 33.6 | Very low | 33.1 | Very low | 114.4 Ų | 114.4 | 142.6 Ų | 142.6 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | 176.6 | 126.5 | 145.8 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | P1302 R1306 | P1302-T1304 PolarHBondContact O-N 3.25Å; T1304-R1306 VanDerWaalsContact C-N 3.25Å; T1304-R1306 PolarHBondContact O-N 3.45Å | ||
| 1305 | S | 32.8 | Very low | 33.1 | Very low | 101.8 Ų | 101.8 | 142.9 Ų | 142.9 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | -50.7 | 111.5 | 159.3 | 17.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1306 | R | 33.6 | Very low | 33.3 | Very low | 232 Ų | 232 | 137.8 Ų | 137.8 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | 177.7 | 124.6 | 132.9 | -69.7 | 177.8 | -176.8 | -124.7 | 0.1 | 113.9 | T1304 | T1304-R1306 VanDerWaalsContact C-N 3.25Å; T1304-R1306 PolarHBondContact O-N 3.45Å | ||
| 1307 | L | 34.3 | Very low | 33.4 | Very low | 153.6 Ų | 153.6 | 140.2 Ų | 140.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -49 | 152.5 | 162 | -72 | 143.7 | 0 | 0 | 0 | 113.9 | I1309 | L1307-I1309 HydrophobicContact CB-CB 4.06Å; L1307-I1309 HydrophobicContact CB-CD1 4.1Å; L1307-I1309 HydrophobicContact CB-CG1 3.84Å; L1307-I1309 HydrophobicContact CD1-CD1 3.93Å; L1307-I1309 HydrophobicContact CD2-CD1 4.1Å; L1307-I1309 HydrophobicContact CD2-CG1 4.27Å; L1307-I1309 HydrophobicContact CG-CD1 4.26Å; L1307-I1309 HydrophobicContact CG-CG1 4.46Å; L1307-I1309 PolarHBondContact O-N 3.03Å; L1307-I1309 VanDerWaalsContact O-N 3.09Å | ||
| 1308 | P | 35.1 | Very low | 33.4 | Very low | 121.8 Ų | 121.8 | 144.3 Ų | 144.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -100.4 | 135.6 | 149.5 | 28.3 | -20.3 | 0 | 0 | 0 | 113.1 | G1310 | P1308-G1310 PolarHBondContact O-N 3.03Š| ||
| 1309 | I | 36.4 | Very low | 33.7 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -50 | 130.9 | 170.8 | -68.4 | 162.7 | 0 | 0 | 0 | 111.2 | L1307 | L1307-I1309 HydrophobicContact CB-CB 4.06Å; L1307-I1309 HydrophobicContact CB-CD1 4.1Å; L1307-I1309 HydrophobicContact CB-CG1 3.84Å; L1307-I1309 HydrophobicContact CD1-CD1 3.93Å; L1307-I1309 HydrophobicContact CD2-CD1 4.1Å; L1307-I1309 HydrophobicContact CD2-CG1 4.27Å; L1307-I1309 HydrophobicContact CG-CD1 4.26Å; L1307-I1309 HydrophobicContact CG-CG1 4.46Å; L1307-I1309 PolarHBondContact O-N 3.03Å; L1307-I1309 VanDerWaalsContact O-N 3.09Å | ||
| 1310 | G | 31.4 | Very low | 33.9 | Very low | 66.8 Ų | 66.8 | 150.5 Ų | 150.5 | 69% | 0.689 | 79% | 0.788 | S | S | * | * | trans | -76.1 | 124.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1308 Q1312 | P1308-G1310 PolarHBondContact O-N 3.03Å; G1310-Q1312 PolarHBondContact O-N 3.24Å | ||
| 1311 | S | 37.4 | Very low | 34 | Very low | 118.2 Ų | 118.2 | 146.9 Ų | 146.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -113.2 | 116.6 | 170 | 55 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1312 | Q | 34.9 | Very low | 34.5 | Very low | 169.8 Ų | 169.8 | 141.8 Ų | 141.8 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | -132.4 | 121.4 | -177.9 | -105.3 | -155 | 1.7 | 0 | 0 | 107.7 | G1310 S1314 | G1310-Q1312 PolarHBondContact O-N 3.24Å; Q1312-S1314 VanDerWaalsContact C-N 3.33Å; Q1312-S1314 PolarHBondContact O-N 2.88Å; Q1312-S1314 VanDerWaalsContact O-N 3.11Å; Q1312-S1314 PolarHBondContact OE1-OG 3.26Å | ||
| 1313 | L | 34.7 | Very low | 34.5 | Very low | 167.8 Ų | 167.8 | 141.6 Ų | 141.6 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -121.1 | 120.2 | 163.1 | -71.7 | 176.1 | 0 | 0 | 0 | 108.6 | Y1315 | L1313-Y1315 PolarHBondContact O-N 3.19Š| ||
| 1314 | S | 33.4 | Very low | 34.6 | Very low | 100.4 Ų | 100.4 | 141.7 Ų | 141.7 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -81 | 133 | 157.5 | -78.8 | 0 | 0 | 0 | 0 | 111.8 | Q1312 G1316 | Q1312-S1314 VanDerWaalsContact C-N 3.33Å; Q1312-S1314 PolarHBondContact O-N 2.88Å; Q1312-S1314 VanDerWaalsContact O-N 3.11Å; Q1312-S1314 PolarHBondContact OE1-OG 3.26Å; S1314-G1316 PolarHBondContact O-N 2.98Å | ||
| 1315 | Y | 31.8 | Very low | 34.6 | Very low | 210.8 Ų | 210.8 | 144.7 Ų | 144.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -103.4 | 132.5 | 147 | -99.7 | -86 | 0 | 0 | 0 | 111.7 | L1313 H1317 Y1318 | L1313-Y1315 PolarHBondContact O-N 3.19Å; Y1315-H1317 VanDerWaalsContact C-N 3.33Å; Y1315-H1317 PolarHBondContact O-N 2.92Å; Y1315-H1317 VanDerWaalsContact O-N 3.08Å; Y1315-Y1318 HydrophobicContact CE1-CE2 4.33Å | ||
| 1316 | G | 35.4 | Very low | 34.4 | Very low | 67.4 Ų | 67.4 | 142.9 Ų | 142.9 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | -138.6 | 104.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1314 Y1318 | S1314-G1316 PolarHBondContact O-N 2.98Å; G1316-Y1318 PolarHBondContact O-N 3.36Å | ||
| 1317 | H | 35.5 | Very low | 34.4 | Very low | 173.4 Ų | 173.4 | 141.6 Ų | 141.6 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | trans | -35.9 | 125.3 | 170.8 | -72.8 | -125.1 | 0 | 0 | 0 | 114.4 | Y1315 V1319 | Y1315-H1317 VanDerWaalsContact C-N 3.33Å; Y1315-H1317 PolarHBondContact O-N 2.92Å; Y1315-H1317 VanDerWaalsContact O-N 3.08Å; H1317-V1319 PolarHBondContact O-N 3.3Å | ||
| 1318 | Y | 32.6 | Very low | 34.3 | Very low | 210.2 Ų | 210.2 | 144.5 Ų | 144.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -6.5 | 117.6 | 131 | -93.7 | -92.8 | 0 | 0 | 0 | 113.6 | Y1315 G1316 Q1320 | Y1315-Y1318 HydrophobicContact CE1-CE2 4.33Å; G1316-Y1318 PolarHBondContact O-N 3.36Å; Y1318-Q1320 PolarHBondContact O-N 3.06Å | ||
| 1319 | V | 36.6 | Very low | 34 | Very low | 136.8 Ų | 136.8 | 143.9 Ų | 143.9 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -96.5 | 118.4 | 151.9 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | H1317 P1321 | H1317-V1319 PolarHBondContact O-N 3.3Å; V1319-P1321 VanDerWaalsContact O-CD 3.29Å; V1319-P1321 WeakPolarHBondContact O-CD 3.35Å | ||
| 1320 | Q | 34.8 | Very low | 33.9 | Very low | 161.4 Ų | 161.4 | 143.6 Ų | 143.6 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -97.4 | 127.5 | 173.8 | -169.4 | -178.8 | 7 | 0 | 0 | 110.9 | Y1318 P1322 | Y1318-Q1320 PolarHBondContact O-N 3.06Å; Q1320-P1322 VanDerWaalsContact O-N 3.09Å | ||
| 1321 | P | 34.9 | Very low | 34 | Very low | 106.2 Ų | 106.2 | 148.2 Ų | 148.2 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 147.2 | 169.3 | -0.7 | 13.9 | 0 | 0 | 0 | 111.3 | V1319 P1323 | V1319-P1321 VanDerWaalsContact O-CD 3.29Å; V1319-P1321 WeakPolarHBondContact O-CD 3.35Å; P1321-P1323 VanDerWaalsContact O-CD 3.23Å; P1321-P1323 WeakPolarHBondContact O-CD 3.32Å; P1321-P1323 VanDerWaalsContact O-N 3.08Å |
| 1322 | P | 38.5 | Very low | 33.6 | Very low | 108.8 Ų | 108.8 | 147.8 Ų | 147.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 139.1 | -161.8 | 4.8 | 3.9 | 0 | 0 | 0 | 113.3 | Q1320 F1324 | Q1320-P1322 VanDerWaalsContact O-N 3.09Å; P1322-F1324 HydrophobicContact CB-CD2 4.1Å; P1322-F1324 HydrophobicContact CB-CE2 4.11Å; P1322-F1324 HydrophobicContact CG-CD2 4.45Å; P1322-F1324 PolarHBondContact O-N 2.87Å; P1322-F1324 VanDerWaalsContact O-N 3.08Å |
| 1323 | P | 35.4 | Very low | 33.4 | Very low | 106.2 Ų | 106.2 | 145.8 Ų | 145.8 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 109.4 | 176.3 | 25.3 | -23.5 | 0 | 0 | 0 | 111.3 | P1321 H1325 | P1321-P1323 VanDerWaalsContact O-CD 3.23Å; P1321-P1323 WeakPolarHBondContact O-CD 3.32Å; P1321-P1323 VanDerWaalsContact O-N 3.08Å; P1323-H1325 PolarHBondContact O-N 2.97Å; P1323-H1325 VanDerWaalsContact O-N 3.1Å |
| 1324 | F | 32.8 | Very low | 33.5 | Very low | 192.8 Ų | 192.8 | 145.1 Ų | 145.1 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -89.4 | 111.5 | 168.6 | -91.3 | -90.3 | 0 | 0 | 0 | 114.2 | P1322 | P1322-F1324 HydrophobicContact CB-CD2 4.1Å; P1322-F1324 HydrophobicContact CB-CE2 4.11Å; P1322-F1324 HydrophobicContact CG-CD2 4.45Å; P1322-F1324 PolarHBondContact O-N 2.87Å; P1322-F1324 VanDerWaalsContact O-N 3.08Å | ||
| 1325 | H | 34.1 | Very low | 33.4 | Very low | 176.8 Ų | 176.8 | 146.3 Ų | 146.3 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | trans | -65.2 | 133.1 | 167.4 | -90.1 | -82.5 | 0 | 0 | 0 | 114.8 | P1323 | P1323-H1325 PolarHBondContact O-N 2.97Å; P1323-H1325 VanDerWaalsContact O-N 3.1Å | ||
| 1326 | G | 29.4 | Very low | 33.6 | Very low | 62.8 Ų | 62.8 | 144.6 Ų | 144.6 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | trans | -102.5 | 160.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1328 | G1326-R1328 PolarHBondContact O-N 3.45Š| ||
| 1327 | F | 33.8 | Very low | 33.5 | Very low | 205.4 Ų | 205.4 | 148.9 Ų | 148.9 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | trans | -158.7 | 134.6 | 143.8 | -69.5 | -85.9 | 0 | 0 | 0 | 111.2 | ||||
| 1328 | R | 31.5 | Very low | 33.4 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | -149 | 123.7 | 55.5 | -164.3 | -174.2 | -150.2 | -148.8 | 3.4 | 112.6 | G1326 L1330 E1331 | G1326-R1328 PolarHBondContact O-N 3.45Å; R1328-L1330 HydrophobicContact CG-CB 4.13Å; R1328-E1331 IonicContact CZ-OE1 2.78Å; R1328-E1331 IonicContact CZ-OE2 2.71Å; R1328-E1331 IonicContact NH1-OE1 3.06Å; R1328-E1331 PolarHBondContact NH1-OE1 3Å; R1328-E1331 IonicContact NH1-OE2 3.88Å; R1328-E1331 PolarHBondContact NH1-OE2 3.49Å; R1328-E1331 IonicContact NH2-OE1 3.66Å | |||
| 1329 | S | 29.3 | Very low | 33.4 | Very low | 109.4 Ų | 109.4 | 144.3 Ų | 144.3 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | -107.5 | 128.8 | 153.6 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1330 | L | 34 | Very low | 33.2 | Very low | 150.2 Ų | 150.2 | 141.8 Ų | 141.8 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | -126.2 | 122.1 | 128.9 | -130.9 | 95.9 | 0 | 0 | 0 | 109.5 | R1328 | R1328-L1330 HydrophobicContact CG-CB 4.13Š| |||
| 1331 | E | 32.5 | Very low | 33.3 | Very low | 162.4 Ų | 162.4 | 139.1 Ų | 139.1 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -111.1 | 129.7 | 151.5 | -89.9 | 136.3 | -165.4 | 0 | 0 | 113.8 | R1328 | R1328-E1331 IonicContact CZ-OE1 2.78Å; R1328-E1331 IonicContact CZ-OE2 2.71Å; R1328-E1331 IonicContact NH1-OE1 3.06Å; R1328-E1331 PolarHBondContact NH1-OE1 3Å; R1328-E1331 IonicContact NH1-OE2 3.88Å; R1328-E1331 PolarHBondContact NH1-OE2 3.49Å; R1328-E1331 IonicContact NH2-OE1 3.66Å | ||
| 1332 | C | 29.5 | Very low | 33.2 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 100.5 | 121.4 | 131 | -142.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1333 | N | 31.5 | Very low | 32.8 | Very low | 127.6 Ų | 127.6 | 141 Ų | 141 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | 116.9 | 133 | 93.3 | -106.9 | -34.5 | 0 | 0 | 0 | 116.5 | |||||
| 1334 | Q | 35.8 | Very low | 32.6 | Very low | 154.4 Ų | 154.4 | 145.6 Ų | 145.6 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | 60.3 | 112 | 143.5 | -63.7 | 179.1 | 35.6 | 0 | 0 | 119 | ||||
| 1335 | N | 32.2 | Very low | 32.6 | Very low | 124.8 Ų | 124.8 | 140 Ų | 140 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | 85.8 | 130.9 | 126.8 | -63.9 | -14.6 | 0 | 0 | 0 | 119.1 | |||||
| 1336 | H | 36 | Very low | 32.5 | Very low | 175.4 Ų | 175.4 | 137.1 Ų | 137.1 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | 82.8 | 125.5 | 144.7 | -59.9 | -59.2 | 0 | 0 | 0 | 116.4 | ||||
| 1337 | H | 32.4 | Very low | 32.7 | Very low | 158.8 Ų | 158.8 | 141.5 Ų | 141.5 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | 130.7 | 144 | 78.6 | -164 | -83.1 | 0 | 0 | 0 | 114.1 | |||||
| 1338 | L | 33 | Very low | 32.7 | Very low | 141.2 Ų | 141.2 | 141.7 Ų | 141.7 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | -27.3 | 149 | 171.4 | -61.2 | 160 | 0 | 0 | 0 | 114.3 | ||||
| 1339 | D | 34.2 | Very low | 32.8 | Very low | 145.2 Ų | 145.2 | 139.1 Ų | 139.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | 162.7 | 122.8 | 142.6 | -87.5 | -26.5 | 0 | 0 | 0 | 115 | ||||
| 1340 | A | 32.4 | Very low | 32.9 | Very low | 83.6 Ų | 83.6 | 138.1 Ų | 138.1 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | -133.5 | 153.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1341 | P | 36.4 | Very low | 32.9 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | -140.2 | 162.6 | -127.9 | 33.9 | -13.8 | 0 | 0 | 0 | 115.3 | Y1658 | P1341-Y1658 HydrophobicContact CB-CE1 4.14Å; P1341-Y1658 VanDerWaalsContact CB-OH 3.3Å; P1341-Y1658 WeakPolarHBondContact CB-OH 3.27Å | |||
| 1342 | I | 32.2 | Very low | 33.1 | Very low | 147.4 Ų | 147.4 | 139 Ų | 139 | 76% | 0.756 | 74% | 0.741 | S | S | * | * | trans | 49 | 132.9 | 150.3 | -50.7 | 165.7 | 0 | 0 | 0 | 118.2 | F1344 | I1342-F1344 HydrophobicContact CG2-CD2 4.15Å; I1342-F1344 HydrophobicContact CG2-CE2 4.3Å | ||
| 1343 | T | 30.2 | Very low | 33.2 | Very low | 107.6 Ų | 107.6 | 139.3 Ų | 139.3 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | 109.3 | 140.6 | 157.2 | -32.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1344 | F | 31.4 | Very low | 33.4 | Very low | 202.8 Ų | 202.8 | 136.3 Ų | 136.3 | 89% | 0.889 | 74% | 0.744 | S | S | * | * | trans | 90.8 | 143.7 | 146.6 | -76.5 | -79.3 | 0 | 0 | 0 | 116.1 | I1342 | I1342-F1344 HydrophobicContact CG2-CD2 4.15Å; I1342-F1344 HydrophobicContact CG2-CE2 4.3Å | ||
| 1345 | G | 32.4 | Very low | 33.4 | Very low | 75.4 Ų | 75.4 | 137.9 Ų | 137.9 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | -172.7 | 118.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1346 | S | 31.9 | Very low | 33.5 | Very low | 116.2 Ų | 116.2 | 140.4 Ų | 140.4 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -115.8 | 137.1 | 162.8 | -173.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1347 | H | 34.2 | Very low | 33.4 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -171.2 | 116 | 150.8 | -142.5 | -106.5 | 0 | 0 | 0 | 113.9 | Q1349 | H1347-Q1349 PolarHBondContact CE1-NE2 3.32Š| ||
| 1348 | R | 33.8 | Very low | 33.5 | Very low | 211 Ų | 211 | 133.4 Ų | 133.4 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -167.4 | 131.4 | 136.4 | -77.4 | -165.7 | -171.8 | -155.7 | 4 | 113.2 | ||||
| 1349 | Q | 33.7 | Very low | 33.6 | Very low | 159.2 Ų | 159.2 | 134.6 Ų | 134.6 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | 75.8 | 136 | 117.4 | -67.3 | -122.7 | -10.4 | 0 | 0 | 114.1 | H1347 | H1347-Q1349 PolarHBondContact CE1-NE2 3.32Š| |||
| 1350 | S | 32.1 | Very low | 33.7 | Very low | 87.6 Ų | 87.6 | 136 Ų | 136 | 61% | 0.613 | 75% | 0.751 | S | S | * | * | cis | -169.6 | 164.2 | -9.6 | 102.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1351 | E | 33.1 | Very low | 33.5 | Very low | 160.6 Ų | 160.6 | 141.1 Ų | 141.1 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | 66 | 141.3 | 148.9 | -65.4 | 174.5 | 165.3 | 0 | 0 | 119.9 | S1353 | E1351-S1353 PolarHBondContact O-N 3.27Š| ||
| 1352 | Q | 36.2 | Very low | 33.5 | Very low | 171.8 Ų | 171.8 | 141.6 Ų | 141.6 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | cis | -154.4 | 135.1 | -7.4 | -101.6 | 179 | 28.4 | 0 | 0 | 113.6 | ||||
| 1353 | S | 32.9 | Very low | 33.4 | Very low | 115.2 Ų | 115.2 | 139.6 Ų | 139.6 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 56.1 | 129.8 | 147.6 | -175 | 0 | 0 | 0 | 0 | 118.7 | E1351 | E1351-S1353 PolarHBondContact O-N 3.27Š| ||
| 1354 | G | 35.4 | Very low | 33.6 | Very low | 65.2 Ų | 65.2 | 139 Ų | 139 | 67% | 0.672 | 76% | 0.761 | S | S | * | * | 126.8 | 155.8 | 58.5 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 1355 | K | 36.1 | Very low | 33.7 | Very low | 188.2 Ų | 188.2 | 137.7 Ų | 137.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 87.4 | 129.8 | 172.9 | -69.1 | 178.6 | -177.8 | 176.5 | 0 | 116.5 | ||||
| 1356 | Q | 33.1 | Very low | 33.6 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | 127.9 | 144.7 | 107.7 | -84.3 | 171.5 | -40.4 | 0 | 0 | 115.5 | |||||
| 1357 | A | 35 | Very low | 33.7 | Very low | 92.8 Ų | 92.8 | 142.7 Ų | 142.7 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 108.5 | 145.9 | 141.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1359 | A1357-H1359 PolarHBondContact O-N 3.47Š| ||
| 1358 | S | 33.7 | Very low | 33.6 | Very low | 94.6 Ų | 94.6 | 143.6 Ų | 143.6 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -164 | 161.7 | -42.6 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1359 | H | 35.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 117.4 | 152.7 | 157.4 | -79.2 | -69.6 | 0 | 0 | 0 | 114.8 | A1357 | A1357-H1359 PolarHBondContact O-N 3.47Š| ||
| 1360 | K | 35.4 | Very low | 33.5 | Very low | 173.2 Ų | 173.2 | 136.2 Ų | 136.2 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | -163.2 | 127.1 | -52.5 | -94.7 | 177.6 | -175.2 | 177.4 | 0 | 113 | |||||
| 1361 | F | 29.6 | Very low | 33.6 | Very low | 192.2 Ų | 192.2 | 140.2 Ų | 140.2 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | 12.3 | 155.1 | 143.9 | -69.6 | -80.1 | 0 | 0 | 0 | 115.7 | ||||
| 1362 | P | 34.8 | Very low | 33.6 | Very low | 115.6 Ų | 115.6 | 142.6 Ų | 142.6 | 75% | 0.751 | 76% | 0.762 | S | S | * | * | -123.4 | 158.9 | 55.1 | 32 | -15.6 | 0 | 0 | 0 | 114.4 | S1364 | P1362-S1364 PolarHBondContact O-N 3.44Š| |||
| 1363 | S | 31.8 | Very low | 33.4 | Very low | 104.6 Ų | 104.6 | 140.9 Ų | 140.9 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | 77.2 | 133.2 | 100.1 | -172.8 | 0 | 0 | 0 | 0 | 115.5 | H1365 | S1363-H1365 PolarHBondContact O-N 3.08Š| |||
| 1364 | S | 33.1 | Very low | 33.4 | Very low | 95.8 Ų | 95.8 | 140.8 Ų | 140.8 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | 145 | 126.3 | 160.6 | -28 | 0 | 0 | 0 | 0 | 114.2 | P1362 | P1362-S1364 PolarHBondContact O-N 3.44Š| ||
| 1365 | H | 34.2 | Very low | 33.2 | Very low | 175.4 Ų | 175.4 | 145.1 Ų | 145.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | 102.6 | 119.4 | 118.2 | -74.4 | -52.4 | 0 | 0 | 0 | 115.8 | S1363 | S1363-H1365 PolarHBondContact O-N 3.08Š| |||
| 1366 | S | 31 | Very low | 33.1 | Very low | 104.8 Ų | 104.8 | 141 Ų | 141 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | 65 | 138.9 | 116.7 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1367 | K | 33.9 | Very low | 32.9 | Very low | 190.2 Ų | 190.2 | 138.1 Ų | 138.1 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | 163 | 134 | 52.5 | -104.9 | -178.1 | -178.5 | -176.2 | 0 | 110.4 | V1369 | K1367-V1369 PolarHBondContact O-N 3.33Š| |||
| 1368 | Q | 31 | Very low | 32.9 | Very low | 172.6 Ų | 172.6 | 142.4 Ų | 142.4 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -69.8 | 144.9 | 161.2 | -91.6 | 161.4 | -42.4 | 0 | 0 | 109.3 | ||||
| 1369 | V | 33.2 | Very low | 32.9 | Very low | 123.2 Ų | 123.2 | 148.5 Ų | 148.5 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | -147.4 | 128.6 | 76.1 | 165.2 | 0 | 0 | 0 | 0 | 108.6 | K1367 K1371 | K1367-V1369 PolarHBondContact O-N 3.33Å; V1369-K1371 HydrophobicContact CG1-CB 3.88Å; V1369-K1371 HydrophobicContact CG1-CD 4.14Å; V1369-K1371 HydrophobicContact CG1-CG 3.91Å | |||
| 1370 | S | 33.1 | Very low | 32.9 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | 50.1 | 120.9 | 87.6 | 103.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1371 | K | 33.9 | Very low | 32.8 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 64 | 125.6 | 146 | -75.4 | 175.9 | -179.8 | 179 | 0 | 114.8 | V1369 D2170 | V1369-K1371 HydrophobicContact CG1-CB 3.88Å; V1369-K1371 HydrophobicContact CG1-CD 4.14Å; V1369-K1371 HydrophobicContact CG1-CG 3.91Å; K1371-D2170 IonicContact NZ-OD1 2.74Å; K1371-D2170 PolarHBondContact NZ-OD1 3.24Å; K1371-D2170 IonicContact NZ-OD2 2.77Å; K1371-D2170 PolarHBondContact NZ-OD2 2.9Å | ||
| 1372 | R | 32.8 | Very low | 33.1 | Very low | 210.8 Ų | 210.8 | 144.4 Ų | 144.4 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | 94.1 | 115.9 | 97.8 | -100.8 | -177.7 | -157.5 | 159.7 | 0.9 | 114.4 | |||||
| 1373 | D | 31.9 | Very low | 33 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | -79.3 | 134.8 | 126.6 | -48.4 | -59 | 0 | 0 | 0 | 113.4 | D1375 | D1373-D1375 VanDerWaalsContact C-N 3.29Å; D1373-D1375 PolarHBondContact O-N 3.21Å | |||
| 1374 | S | 32.8 | Very low | 33.1 | Very low | 113.4 Ų | 113.4 | 149 Ų | 149 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | 140.4 | 97.9 | 132.8 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | S1376 | S1374-S1376 VanDerWaalsContact C-N 3.26Å; S1374-S1376 PolarHBondContact O-N 2.85Å | ||
| 1375 | D | 32.4 | Very low | 33.1 | Very low | 156.4 Ų | 156.4 | 152.2 Ų | 152.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -60.4 | 124.6 | 160.1 | -87.3 | -50.5 | 0 | 0 | 0 | 112.6 | D1373 | D1373-D1375 VanDerWaalsContact C-N 3.29Å; D1373-D1375 PolarHBondContact O-N 3.21Å | ||
| 1376 | S | 33.5 | Very low | 33 | Very low | 102.4 Ų | 102.4 | 148.9 Ų | 148.9 | 72% | 0.716 | 76% | 0.763 | S | S | * | * | trans | -159.3 | 125.3 | 142.7 | 70.2 | 0 | 0 | 0 | 0 | 111.1 | S1374 K1378 | S1374-S1376 VanDerWaalsContact C-N 3.26Å; S1374-S1376 PolarHBondContact O-N 2.85Å; S1376-K1378 PolarHBondContact O-N 3.32Å | ||
| 1377 | C | 28.5 | Very low | 33.2 | Very low | 114.8 Ų | 114.8 | 154.5 Ų | 154.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -46.7 | 111.3 | 174.7 | -67.4 | 0 | 0 | 0 | 0 | 114.6 | R1379 | C1377-R1379 VanDerWaalsContact C-N 3.28Å; C1377-R1379 PolarHBondContact O-N 3.28Å; C1377-R1379 VanDerWaalsContact O-N 3.1Å | ||
| 1378 | K | 35.1 | Very low | 33 | Very low | 182.6 Ų | 182.6 | 150.6 Ų | 150.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -112.4 | 109.6 | 149.2 | -88.7 | 172.4 | -177 | 170.8 | 0 | 113.5 | S1376 H1380 | S1376-K1378 PolarHBondContact O-N 3.32Å; K1378-H1380 PolarHBondContact O-N 3.07Å | ||
| 1379 | R | 33.4 | Very low | 33.2 | Very low | 224 Ų | 224 | 151.9 Ų | 151.9 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -51.9 | 117.6 | 148 | -73.5 | 167.1 | -177.3 | -167.5 | 0.4 | 112.3 | C1377 S1381 | C1377-R1379 VanDerWaalsContact C-N 3.28Å; C1377-R1379 PolarHBondContact O-N 3.28Å; C1377-R1379 VanDerWaalsContact O-N 3.1Å; R1379-S1381 PolarHBondContact O-N 3.34Å | ||
| 1380 | H | 36.2 | Very low | 33.2 | Very low | 161.2 Ų | 161.2 | 153.4 Ų | 153.4 | 75% | 0.746 | 76% | 0.759 | S | S | * | * | trans | 60.9 | 89.5 | 136.6 | -60.6 | -60.6 | 0 | 0 | 0 | 114.9 | K1378 K1382 | K1378-H1380 PolarHBondContact O-N 3.07Å; H1380-K1382 PolarHBondContact O-N 3.25Å | ||
| 1381 | S | 31.8 | Very low | 33.2 | Very low | 109.8 Ų | 109.8 | 155.4 Ų | 155.4 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | trans | -42.1 | 109.2 | 140 | -173 | 0 | 0 | 0 | 0 | 112.6 | R1379 R1383 | R1379-S1381 PolarHBondContact O-N 3.34Å; S1381-R1383 PolarHBondContact O-N 3.49Å | ||
| 1382 | K | 37.5 | Very low | 33.3 | Very low | 175.2 Ų | 175.2 | 153.2 Ų | 153.2 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -134.1 | 99.1 | 165.4 | -75.1 | -174.7 | 174 | -177.7 | 0 | 110.1 | T425 L426 H1380 T1384 | T425-K1382 VanDerWaalsContact O-CE 3.27Å; T425-K1382 WeakPolarHBondContact O-CE 3.47Å; L426-K1382 WeakPolarHBondContact O-CB 3.5Å; L426-K1382 WeakPolarHBondContact O-CD 3.49Å; L426-K1382 WeakPolarHBondContact O-CE 3.19Å; L426-K1382 WeakPolarHBondContact O-CG 3.36Å; H1380-K1382 PolarHBondContact O-N 3.25Å; K1382-T1384 PolarHBondContact O-N 3.31Å; K1382-T1384 VanDerWaalsContact O-N 3.16Å | ||
| 1383 | R | 31.9 | Very low | 33.3 | Very low | 205.4 Ų | 205.4 | 149.6 Ų | 149.6 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | 3.3 | 102.4 | 118.4 | -170.5 | -172 | 165.4 | 174.6 | 2.3 | 111.2 | S1381 H1385 | S1381-R1383 PolarHBondContact O-N 3.49Å; R1383-H1385 PolarHBondContact NE-NE2 3.25Å; R1383-H1385 VanDerWaalsContact NE-NE2 3.17Å; R1383-H1385 PolarHBondContact NH2-CE1 2.91Å; R1383-H1385 PolarHBondContact NH2-NE2 3.3Å; R1383-H1385 PolarHBondContact O-CD2 3.03Å; R1383-H1385 PolarHBondContact O-N 3.09Å; R1383-H1385 VanDerWaalsContact O-N 3.12Å | |||
| 1384 | T | 34.9 | Very low | 33.3 | Very low | 110.4 Ų | 110.4 | 147.7 Ų | 147.7 | 68% | 0.677 | 75% | 0.746 | S | S | * | * | trans | -124.9 | 120.4 | 143.7 | 38.8 | 0 | 0 | 0 | 0 | 109.7 | A427 T428 K1382 | A427-T1384 VanDerWaalsContact C-OG1 3.24Å; A427-T1384 PolarHBondContact O-OG1 3.48Å; T428-T1384 PolarHBondContact N-OG1 2.91Å; K1382-T1384 PolarHBondContact O-N 3.31Å; K1382-T1384 VanDerWaalsContact O-N 3.16Å | ||
| 1385 | H | 32.6 | Very low | 33.2 | Very low | 162.8 Ų | 162.8 | 151.3 Ų | 151.3 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -73.6 | 122.8 | 149.7 | -77.8 | -78.5 | 0 | 0 | 0 | 109.9 | R1383 R1387 | R1383-H1385 PolarHBondContact NE-NE2 3.25Å; R1383-H1385 VanDerWaalsContact NE-NE2 3.17Å; R1383-H1385 PolarHBondContact NH2-CE1 2.91Å; R1383-H1385 PolarHBondContact NH2-NE2 3.3Å; R1383-H1385 PolarHBondContact O-CD2 3.03Å; R1383-H1385 PolarHBondContact O-N 3.09Å; R1383-H1385 VanDerWaalsContact O-N 3.12Å; H1385-R1387 PolarHBondContact O-N 3.06Å; H1385-R1387 VanDerWaalsContact O-N 3.16Å | ||
| 1386 | S | 32 | Very low | 33.2 | Very low | 107.2 Ų | 107.2 | 147.9 Ų | 147.9 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | trans | -111.8 | 121.7 | 166.8 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | S1388 | S1386-S1388 PolarHBondContact O-N 3.42Å; S1386-S1388 VanDerWaalsContact O-N 3.1Å | ||
| 1387 | R | 34 | Very low | 33.1 | Very low | 222 Ų | 222 | 152.5 Ų | 152.5 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -66 | 127.7 | 148.1 | -88.8 | 167.1 | 165.5 | 179.4 | -5 | 111.7 | S429 G430 H1385 R1389 | S429-R1387 PolarHBondContact O-NH1 3.38Å; G430-R1387 WeakPolarHBondContact O-CB 2.97Å; H1385-R1387 PolarHBondContact O-N 3.06Å; H1385-R1387 VanDerWaalsContact O-N 3.16Å; R1387-R1389 PolarHBondContact O-N 3.35Å | ||
| 1388 | S | 31.3 | Very low | 33.2 | Very low | 109.2 Ų | 109.2 | 153.2 Ų | 153.2 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -116.2 | 140.1 | 146.2 | 71.7 | 0 | 0 | 0 | 0 | 111.6 | Y431 A432 S1386 | Y431-S1388 WeakPolarHBondContact O-CB 3.24Å; Y431-S1388 PolarHBondContact O-OG 2.93Å; A432-S1388 PolarHBondContact O-OG 3.01Å; S1386-S1388 PolarHBondContact O-N 3.42Å; S1386-S1388 VanDerWaalsContact O-N 3.1Å | ||
| 1389 | R | 34.3 | Very low | 33 | Very low | 199.4 Ų | 199.4 | 151.4 Ų | 151.4 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -130.6 | 142.3 | 168.4 | -154.7 | -179.4 | 174 | -173.5 | 1.5 | 110.3 | R1387 E1391 | R1387-R1389 PolarHBondContact O-N 3.35Å; R1389-E1391 IonicContact NH1-OE1 3.53Å; R1389-E1391 WeakPolarHBondContact O-CG 3.39Å; R1389-E1391 PolarHBondContact O-N 3.4Å | ||
| 1390 | K | 34.5 | Very low | 32.9 | Very low | 155.2 Ų | 155.2 | 148 Ų | 148 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | 165.3 | 132.4 | 110.2 | -152.6 | 168.4 | -179 | -156 | 0 | 112.6 | K1735 | K1390-K1735 WeakPolarHBondContact O-CE 3.32Å; K1390-K1735 PolarHBondContact O-NZ 3.46Å | |||
| 1391 | E | 33.2 | Very low | 32.9 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | trans | -58.9 | 166.5 | 144.1 | -58.9 | 163.4 | -166.7 | 0 | 0 | 113.5 | R1389 | R1389-E1391 IonicContact NH1-OE1 3.53Å; R1389-E1391 WeakPolarHBondContact O-CG 3.39Å; R1389-E1391 PolarHBondContact O-N 3.4Å | ||
| 1392 | T | 34.6 | Very low | 32.9 | Very low | 125.2 Ų | 125.2 | 146.4 Ų | 146.4 | 77% | 0.768 | 73% | 0.728 | S | S | * | * | trans | -149.9 | 136.3 | 168.7 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1393 | E | 32.1 | Very low | 32.9 | Very low | 136.2 Ų | 136.2 | 146.6 Ų | 146.6 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -44.8 | 158.9 | 163.7 | -97.9 | -115 | 169.1 | 0 | 0 | 114.3 | G436 F1395 K1730 K1731 | G436-E1393 WeakPolarHBondContact CA-OE1 3.45Å; G436-E1393 PolarHBondContact N-OE1 2.83Å; E1393-F1395 PolarHBondContact OE2-N 3.17Å; E1393-K1730 VanDerWaalsContact OE2-CD 3.3Å; E1393-K1730 WeakPolarHBondContact OE2-CD 3.38Å; E1393-K1730 WeakPolarHBondContact OE2-CE 3.44Å; E1393-K1730 IonicContact OE2-NZ 3.05Å; E1393-K1731 HydrophobicContact CG-CB 4.49Å; E1393-K1731 VanDerWaalsContact OE1-CB 3.31Å; E1393-K1731 WeakPolarHBondContact OE1-CB 3.46Å; E1393-K1731 WeakPolarHBondContact OE1-CD 3.32Å | ||
| 1394 | P | 33.5 | Very low | 33 | Very low | 94.8 Ų | 94.8 | 144.8 Ų | 144.8 | 62% | 0.616 | 73% | 0.726 | S | S | * | * | trans | -116.8 | 155.8 | 166.4 | 35.3 | -22.9 | 0 | 0 | 0 | 114.1 | ||||
| 1395 | F | 30.6 | Very low | 32.8 | Very low | 189.8 Ų | 189.8 | 147.6 Ų | 147.6 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -150.9 | 138 | 158.8 | -75.6 | -76.7 | 0 | 0 | 0 | 112.3 | E1393 | E1393-F1395 PolarHBondContact OE2-N 3.17Š| ||
| 1396 | A | 31.7 | Very low | 32.8 | Very low | 83.4 Ų | 83.4 | 143.7 Ų | 143.7 | 69% | 0.689 | 72% | 0.72 | S | S | * | * | trans | -145.7 | 141.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1397 | F | 31.1 | Very low | 32.8 | Very low | 200.2 Ų | 200.2 | 145.3 Ų | 145.3 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | trans | -134.2 | 163.7 | 141.9 | -127.4 | -98.6 | 0 | 0 | 0 | 110.3 | ||||
| 1398 | D | 31.4 | Very low | 32.8 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | trans | -111 | 145.6 | 170.5 | -119.9 | -32 | 0 | 0 | 0 | 110.8 | K1400 | D1398-K1400 PolarHBondContact OD1-N 3.31Å; D1398-K1400 VanDerWaalsContact OD1-N 3.09Å; D1398-K1400 IonicContact OD1-NZ 3.66Å | ||
| 1399 | E | 31.5 | Very low | 32.7 | Very low | 145.8 Ų | 145.8 | 145.7 Ų | 145.7 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | 160.8 | 139.2 | 107.3 | -99.8 | -150.1 | 138.4 | 0 | 0 | 115.4 | |||||
| 1400 | K | 31.4 | Very low | 32.7 | Very low | 150.8 Ų | 150.8 | 140.1 Ų | 140.1 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | trans | 35.3 | 133.1 | 155 | -60.2 | 167.4 | -170.4 | 142.4 | 0 | 119 | D1398 | D1398-K1400 PolarHBondContact OD1-N 3.31Å; D1398-K1400 VanDerWaalsContact OD1-N 3.09Å; D1398-K1400 IonicContact OD1-NZ 3.66Å | ||
| 1401 | S | 34.7 | Very low | 32.7 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | 144.2 | 130.4 | 109 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1402 | D | 32.5 | Very low | 32.8 | Very low | 126.8 Ų | 126.8 | 138 Ų | 138 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | 98.5 | 131.8 | 50 | -111.5 | -15.7 | 0 | 0 | 0 | 114 | |||||
| 1403 | K | 37.9 | Very low | 32.7 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 78% | 0.778 | 72% | 0.717 | S | S | * | * | 141.5 | 147.2 | 129 | -92 | 136.4 | -168.6 | 167.3 | 0 | 114.1 | |||||
| 1404 | K | 33.9 | Very low | 32.7 | Very low | 167.2 Ų | 167.2 | 140.1 Ų | 140.1 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 115 | 143.8 | 138.4 | -77.9 | -172.5 | 177 | -178.7 | 0 | 113.7 | ||||
| 1405 | F | 30.8 | Very low | 32.7 | Very low | 168.8 Ų | 168.8 | 143 Ų | 143 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | 112.3 | 153.1 | 67.1 | -101.2 | -79.5 | 0 | 0 | 0 | 113.8 | H2377 D2378 R2379 E2380 | F1405-H2377 PolarHBondContact O-ND1 2.96Å; F1405-D2378 PolarHBondContact O-N 3.33Å; F1405-R2379 PolarHBondContact O-N 3.2Å; F1405-E2380 WeakPolarHBondContact CB-OE1 3.43Å; F1405-E2380 WeakPolarHBondContact CD2-OE1 2.56Å; F1405-E2380 WeakPolarHBondContact CG-OE1 3.37Å | |||
| 1406 | S | 31.9 | Very low | 32.7 | Very low | 81.2 Ų | 81.2 | 139.7 Ų | 139.7 | 57% | 0.568 | 73% | 0.728 | S | S | * | * | -170.3 | 149.8 | 112.7 | 64.1 | 0 | 0 | 0 | 0 | 114.7 | R2379 | S1406-R2379 VanDerWaalsContact O-CD 3.22Å; S1406-R2379 WeakPolarHBondContact O-CD 3.38Å; S1406-R2379 WeakPolarHBondContact O-CG 3.01Å; S1406-R2379 PolarHBondContact O-NE 2.87Å | |||
| 1407 | H | 32.1 | Very low | 32.7 | Very low | 140.4 Ų | 140.4 | 139.2 Ų | 139.2 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | trans | 170 | 159.8 | 138.1 | -99.9 | -95.2 | 0 | 0 | 0 | 114.1 | D1409 D2378 | H1407-D1409 IonicContact CE1-OD2 3.56Å; H1407-D1409 PolarHBondContact CE1-OD2 2.87Å; H1407-D1409 IonicContact CG-OD2 2.79Å; H1407-D1409 IonicContact ND1-OD2 2.65Å; H1407-D1409 PolarHBondContact ND1-OD2 2.82Å; H1407-D2378 IonicContact CD2-OD2 3.81Å; H1407-D2378 VanDerWaalsContact N-CG 3.3Å; H1407-D2378 PolarHBondContact N-OD2 3.39Å | ||
| 1408 | Y | 32.7 | Very low | 32.8 | Very low | 203.2 Ų | 203.2 | 135.2 Ų | 135.2 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | 111.5 | 143.1 | 108.4 | -74.4 | -80 | 0 | 0 | 0 | 113.7 | |||||
| 1409 | D | 30.9 | Very low | 32.9 | Very low | 137.6 Ų | 137.6 | 135.1 Ų | 135.1 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | cis | -147.9 | -176.7 | -2.7 | -123.9 | -25.2 | 0 | 0 | 0 | 113.2 | H1407 | H1407-D1409 IonicContact CE1-OD2 3.56Å; H1407-D1409 PolarHBondContact CE1-OD2 2.87Å; H1407-D1409 IonicContact CG-OD2 2.79Å; H1407-D1409 IonicContact ND1-OD2 2.65Å; H1407-D1409 PolarHBondContact ND1-OD2 2.82Å | ||
| 1410 | A | 33 | Very low | 33 | Very low | 80.6 Ų | 80.6 | 135.6 Ų | 135.6 | 67% | 0.666 | 72% | 0.722 | S | S | * | * | trans | 100.2 | 144.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1411 | T | 35.3 | Very low | 33.3 | Very low | 132.8 Ų | 132.8 | 133.8 Ų | 133.8 | 82% | 0.815 | 73% | 0.725 | S | S | * | * | trans | 162 | 141.9 | 159.3 | 48.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1412 | T | 34 | Very low | 33.4 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | 148.5 | 134.8 | 140.2 | -61.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1413 | N | 33.5 | Very low | 33.4 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | 108 | 148.7 | 152.6 | -67.2 | -41.1 | 0 | 0 | 0 | 117.8 | ||||
| 1414 | H | 33.2 | Very low | 33.2 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | 102.8 | 131.6 | 143.6 | -67.4 | -83.4 | 0 | 0 | 0 | 113.6 | ||||
| 1415 | I | 32.8 | Very low | 33.1 | Very low | 155.4 Ų | 155.4 | 131.9 Ų | 131.9 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | -174 | 148 | 68.6 | -99.2 | 156.9 | 0 | 0 | 0 | 110.3 | |||||
| 1416 | T | 30.1 | Very low | 33.1 | Very low | 121.8 Ų | 121.8 | 129.1 Ų | 129.1 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | trans | -80.9 | 158.7 | 168.9 | -23.3 | 0 | 0 | 0 | 0 | 115.3 | T1418 | T1416-T1418 PolarHBondContact O-N 2.9Š| ||
| 1417 | A | 32.4 | Very low | 33.2 | Very low | 73.4 Ų | 73.4 | 129.2 Ų | 129.2 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | 105.9 | 147.1 | 114.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | S2353 H2354 | A1417-S2353 WeakPolarHBondContact O-CA 3.17Å; A1417-S2353 WeakPolarHBondContact O-CB 3.33Å; A1417-S2353 PolarHBondContact O-OG 2.77Å; A1417-H2354 VanDerWaalsContact CB-N 3.34Å | |||
| 1418 | T | 33.1 | Very low | 33.1 | Very low | 114.8 Ų | 114.8 | 132 Ų | 132 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | -113.7 | 146.5 | 103.3 | -17.2 | 0 | 0 | 0 | 0 | 115.1 | T1416 S2353 H2354 | T1416-T1418 PolarHBondContact O-N 2.9Å; T1418-S2353 PolarHBondContact O-N 2.95Å; T1418-S2353 PolarHBondContact O-OG 3.42Å; T1418-S2353 VanDerWaalsContact OG1-CA 3.28Å; T1418-S2353 WeakPolarHBondContact OG1-CA 3.19Å; T1418-H2354 PolarHBondContact OG1-N 2.93Å | |||
| 1419 | N | 33 | Very low | 33.3 | Very low | 128.2 Ų | 128.2 | 126.8 Ų | 126.8 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | trans | 163.8 | 134.1 | 141.2 | -82.4 | -27.7 | 0 | 0 | 0 | 117.6 | S2352 | N1419-S2352 PolarHBondContact ND2-O 3.34Š| ||
| 1420 | L | 33.5 | Very low | 33.5 | Very low | 156.6 Ų | 156.6 | 128.1 Ų | 128.1 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | trans | 91.9 | 160.3 | 141.2 | -74.2 | 162 | 0 | 0 | 0 | 115.3 | ||||
| 1421 | P | 37.7 | Very low | 33.7 | Very low | 111.6 Ų | 111.6 | 131.8 Ų | 131.8 | 73% | 0.725 | 74% | 0.742 | S | S | * | * | trans | -126.1 | -159.5 | 143.6 | 35.5 | -17.2 | 0 | 0 | 0 | 114.2 | ||||
| 1422 | P | 37.3 | Very low | 33.7 | Very low | 111.4 Ų | 111.4 | 136.4 Ų | 136.4 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | -115 | 176.6 | -160.3 | 38.8 | -26.9 | 0 | 0 | 0 | 114.1 | ||||
| 1423 | Q | 32.1 | Very low | 33.9 | Very low | 177.6 Ų | 177.6 | 138.7 Ų | 138.7 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | trans | -168.4 | 141.6 | 148.5 | -71.2 | -173.2 | 7.8 | 0 | 0 | 113.9 | ||||
| 1424 | T | 33.1 | Very low | 34.1 | Very low | 124.2 Ų | 124.2 | 139.6 Ų | 139.6 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | -128.3 | 172.8 | 99.9 | 20.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1425 | T | 33.3 | Very low | 34.2 | Very low | 131.4 Ų | 131.4 | 139.3 Ų | 139.3 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | cis | -163.8 | 148.9 | 3.3 | -36.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1426 | S | 29.8 | Very low | 34.7 | Very low | 110.6 Ų | 110.6 | 139.6 Ų | 139.6 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -130.1 | 155.1 | 168.8 | 131.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1427 | A | 33.3 | Very low | 34.9 | Very low | 84.4 Ų | 84.4 | 139.1 Ų | 139.1 | 70% | 0.698 | 75% | 0.749 | S | S | * | * | trans | -160 | 124.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1428 | Y | 31.4 | Very low | 35.2 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | -177.4 | 153.5 | 125.6 | -96.4 | -102.5 | 0 | 0 | 0 | 114.9 | V1580 V1582 P1587 | Y1428-V1580 PolarHBondContact OH-O 2.88Å; Y1428-V1582 HydrophobicContact CE1-CB 3.87Å; Y1428-V1582 HydrophobicContact CE1-CG1 4.49Å; Y1428-V1582 HydrophobicContact CE1-CG2 3.77Å; Y1428-P1587 HydrophobicContact CD1-CB 4.16Å; Y1428-P1587 HydrophobicContact CD1-CG 4.27Å; Y1428-P1587 HydrophobicContact CD2-CB 4.33Å; Y1428-P1587 HydrophobicContact CD2-CG 3.78Å; Y1428-P1587 HydrophobicContact CE1-CB 3.64Å; Y1428-P1587 HydrophobicContact CE1-CG 4.14Å; Y1428-P1587 HydrophobicContact CE2-CB 3.83Å; Y1428-P1587 HydrophobicContact CE2-CG 3.63Å; Y1428-P1587 HydrophobicContact CG-CG 4.13Å; Y1428-P1587 VanDerWaalsContact CZ-CB 3.47Å | |||
| 1429 | P | 36.5 | Very low | 35.3 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | -125.9 | 165 | 122.1 | 36.7 | -22.3 | 0 | 0 | 0 | 115.1 | A1584 V1585 | P1429-A1584 VanDerWaalsContact CG-CA 3.46Å; P1429-A1584 HydrophobicContact CG-CB 3.82Å; P1429-V1585 HydrophobicContact CB-CB 4.4Å; P1429-V1585 VanDerWaalsContact CB-O 3.24Å; P1429-V1585 WeakPolarHBondContact CB-O 3.39Å; P1429-V1585 VanDerWaalsContact CG-N 3.32Å | |||
| 1430 | H | 35.6 | Very low | 35.3 | Very low | 163.6 Ų | 163.6 | 151.4 Ų | 151.4 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -142.4 | 129.7 | 150 | -88.3 | -77.9 | 0 | 0 | 0 | 116.3 | ||||
| 1431 | H | 36.3 | Very low | 35.2 | Very low | 159.8 Ų | 159.8 | 155.3 Ų | 155.3 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -104.5 | 119.8 | 151 | -82.8 | -45.2 | 0 | 0 | 0 | 116.4 | ||||
| 1432 | R | 36.7 | Very low | 34.9 | Very low | 228 Ų | 228 | 154.4 Ų | 154.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | 31.2 | 123.5 | 128.7 | -74.4 | -176.1 | 177.6 | 165.4 | 0.2 | 114.7 | |||||
| 1433 | H | 37.4 | Very low | 34.7 | Very low | 162.6 Ų | 162.6 | 157.6 Ų | 157.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -114.3 | 145.8 | 173.7 | -124 | -72.8 | 0 | 0 | 0 | 110.6 | D1435 | H1433-D1435 PolarHBondContact O-N 3.22Š| ||
| 1434 | H | 37.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -112.3 | 119.9 | 173.2 | -72.2 | -88.4 | 0 | 0 | 0 | 113.4 | H1436 | H1434-H1436 HydrophobicContact CB-CB 4.42Å; H1434-H1436 AromaticContact CD2-NE2 3.95Å; H1434-H1436 AromaticContact CE1-CE1 3.95Å; H1434-H1436 AromaticContact CE1-NE2 3.65Å; H1434-H1436 AromaticContact CG-CD2 3.8Å; H1434-H1436 AromaticContact CG-CE1 3.83Å; H1434-H1436 AromaticContact CG-NE2 3.52Å; H1434-H1436 AromaticContact ND1-CE1 3.35Å; H1434-H1436 PolarHBondContact ND1-CE1 2.8Å; H1434-H1436 AromaticContact ND1-NE2 3.32Å; H1434-H1436 PolarHBondContact ND1-NE2 3.12Å | ||
| 1435 | D | 35.7 | Very low | 34.9 | Very low | 157.2 Ų | 157.2 | 157.6 Ų | 157.6 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -101.8 | 93.9 | 156.9 | -82.8 | -38.5 | 0 | 0 | 0 | 111.4 | H1433 | H1433-D1435 PolarHBondContact O-N 3.22Š| ||
| 1436 | H | 42.3 | Very low | 34.9 | Very low | 163.4 Ų | 163.4 | 156.3 Ų | 156.3 | 76% | 0.756 | 78% | 0.782 | S | S | * | * | trans | -120.2 | 103.4 | 168.4 | -77.6 | -41.7 | 0 | 0 | 0 | 110 | H1434 | H1434-H1436 HydrophobicContact CB-CB 4.42Å; H1434-H1436 AromaticContact CD2-NE2 3.95Å; H1434-H1436 AromaticContact CE1-CE1 3.95Å; H1434-H1436 AromaticContact CE1-NE2 3.65Å; H1434-H1436 AromaticContact CG-CD2 3.8Å; H1434-H1436 AromaticContact CG-CE1 3.83Å; H1434-H1436 AromaticContact CG-NE2 3.52Å; H1434-H1436 AromaticContact ND1-CE1 3.35Å; H1434-H1436 PolarHBondContact ND1-CE1 2.8Å; H1434-H1436 AromaticContact ND1-NE2 3.32Å; H1434-H1436 PolarHBondContact ND1-NE2 3.12Å | ||
| 1437 | C | 35.6 | Very low | 35 | Very low | 111.2 Ų | 111.2 | 156.7 Ų | 156.7 | 75% | 0.751 | 79% | 0.785 | S | S | * | * | 179.7 | 111.7 | 123.5 | -83.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1438 | L | 37.8 | Very low | 35 | Very low | 163.2 Ų | 163.2 | 156.2 Ų | 156.2 | 85% | 0.854 | 79% | 0.788 | S | S | * | * | -156.9 | 135.6 | 123.3 | -82.4 | 174 | 0 | 0 | 0 | 110.2 | |||||
| 1439 | H | 35.6 | Very low | 35.1 | Very low | 185.2 Ų | 185.2 | 156 Ų | 156 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -138.8 | 145 | 168.7 | -96.2 | 22.6 | 0 | 0 | 0 | 113 | ||||
| 1440 | R | 32.5 | Very low | 35.1 | Very low | 225.2 Ų | 225.2 | 157.7 Ų | 157.7 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 47.3 | 93.6 | 169.3 | -66.2 | -176.4 | 175 | -177.1 | -1.5 | 117.9 | S1442 | R1440-S1442 PolarHBondContact O-N 2.7Š| ||
| 1441 | R | 32.6 | Very low | 35 | Very low | 238.2 Ų | 238.2 | 157.3 Ų | 157.3 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | -122.6 | 101.2 | 124.3 | -85.8 | -175.4 | 168.5 | 156.9 | -2.1 | 111.4 | |||||
| 1442 | S | 30.2 | Very low | 34.9 | Very low | 94.2 Ų | 94.2 | 153.2 Ų | 153.2 | 66% | 0.659 | 81% | 0.805 | S | S | * | * | trans | -156.3 | 119.3 | 140.8 | 50.3 | 0 | 0 | 0 | 0 | 108 | R1440 V1444 | R1440-S1442 PolarHBondContact O-N 2.7Å; S1442-V1444 PolarHBondContact O-N 3.13Å | ||
| 1443 | E | 32.8 | Very low | 34.8 | Very low | 178.6 Ų | 178.6 | 149.1 Ų | 149.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -88.2 | 115.5 | 146.6 | -67.3 | 166.3 | -168.5 | 0 | 0 | 112.3 | L1445 | E1443-L1445 PolarHBondContact O-N 3Š| ||
| 1444 | V | 33.7 | Very low | 34.7 | Very low | 129.6 Ų | 129.6 | 147.2 Ų | 147.2 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -108.9 | 120.4 | 144.3 | 162.9 | 0 | 0 | 0 | 0 | 109.4 | S1442 S1446 | S1442-V1444 PolarHBondContact O-N 3.13Å; V1444-S1446 PolarHBondContact O-N 3.04Å | ||
| 1445 | L | 36 | Very low | 34.5 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -133 | 127.2 | 156.8 | -82.9 | 167.5 | 0 | 0 | 0 | 111.3 | E1443 | E1443-L1445 PolarHBondContact O-N 3Š| ||
| 1446 | S | 33.9 | Very low | 34.5 | Very low | 105.2 Ų | 105.2 | 141.9 Ų | 141.9 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -152.8 | 135.3 | 168.6 | -170.5 | 0 | 0 | 0 | 0 | 112.2 | V1444 G1448 | V1444-S1446 PolarHBondContact O-N 3.04Å; S1446-G1448 PolarHBondContact O-N 2.99Å | ||
| 1447 | S | 32 | Very low | 34.2 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -30.5 | 130.9 | 166.8 | 60 | 0 | 0 | 0 | 0 | 115.2 | K1449 | S1447-K1449 PolarHBondContact O-N 2.86Š| ||
| 1448 | G | 33.6 | Very low | 34.1 | Very low | 73.4 Ų | 73.4 | 148.5 Ų | 148.5 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | 156.7 | 101 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1446 | S1446-G1448 PolarHBondContact O-N 2.99Š| ||
| 1449 | K | 32.2 | Very low | 34 | Very low | 194.2 Ų | 194.2 | 146.8 Ų | 146.8 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | -1.9 | 123.8 | 112 | -76.1 | 179.5 | 177.5 | 176.8 | 0 | 114 | S1447 | S1447-K1449 PolarHBondContact O-N 2.86Š| |||
| 1450 | T | 37.1 | Very low | 33.8 | Very low | 131.4 Ų | 131.4 | 147.2 Ų | 147.2 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -145.5 | 148.7 | 131.3 | 44.9 | 0 | 0 | 0 | 0 | 110.4 | G1452 | T1450-G1452 PolarHBondContact O-N 3.47Š| ||
| 1451 | N | 33.9 | Very low | 33.9 | Very low | 154.6 Ų | 154.6 | 141.8 Ų | 141.8 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -123 | 134.5 | 165.2 | -61.5 | -20.9 | 0 | 0 | 0 | 111.8 | V1453 | N1451-V1453 HydrophobicContact CB-CG2 4.47Å; N1451-V1453 PolarHBondContact O-N 3.09Å | ||
| 1452 | G | 32.9 | Very low | 34 | Very low | 74.6 Ų | 74.6 | 135.5 Ų | 135.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 148.2 | 102.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111 | T1450 | T1450-G1452 PolarHBondContact O-N 3.47Š| ||
| 1453 | V | 36.2 | Very low | 34 | Very low | 141.6 Ų | 141.6 | 136.7 Ų | 136.7 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | trans | -143.6 | 120.9 | 132.8 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | N1451 G1455 | N1451-V1453 HydrophobicContact CB-CG2 4.47Å; N1451-V1453 PolarHBondContact O-N 3.09Å; V1453-G1455 PolarHBondContact O-N 3.1Å | ||
| 1454 | S | 33.7 | Very low | 34 | Very low | 122.8 Ų | 122.8 | 136 Ų | 136 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -64.9 | 133.2 | 152.5 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1455 | G | 34.1 | Very low | 33.9 | Very low | 67 Ų | 67 | 134.3 Ų | 134.3 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -165.9 | 105.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1453 R1457 | V1453-G1455 PolarHBondContact O-N 3.1Å; G1455-R1457 PolarHBondContact O-N 3.1Å | ||
| 1456 | D | 35.6 | Very low | 33.6 | Very low | 137.4 Ų | 137.4 | 131.4 Ų | 131.4 | 74% | 0.735 | 79% | 0.793 | S | S | * | * | trans | -22.8 | 136.2 | 170.1 | -88 | -28.3 | 0 | 0 | 0 | 117.8 | ||||
| 1457 | R | 36.8 | Very low | 33.5 | Very low | 218 Ų | 218 | 132.6 Ų | 132.6 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | trans | 178.9 | 117.8 | 153.4 | -78.5 | 178.9 | -145.6 | 178 | 7.7 | 115 | G1455 V1459 | G1455-R1457 PolarHBondContact O-N 3.1Å; R1457-V1459 PolarHBondContact O-N 3.29Å | ||
| 1458 | K | 32.3 | Very low | 33.5 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -114.4 | 162.4 | 133.1 | -120 | 177.2 | 177.9 | 179.5 | 0 | 112.3 | ||||
| 1459 | V | 35.4 | Very low | 33.4 | Very low | 127.4 Ų | 127.4 | 135.5 Ų | 135.5 | 77% | 0.772 | 79% | 0.794 | S | S | * | * | trans | -168.1 | 125.1 | 150 | -169.2 | 0 | 0 | 0 | 0 | 113.6 | R1457 | R1457-V1459 PolarHBondContact O-N 3.29Š| ||
| 1460 | K | 33.1 | Very low | 33.4 | Very low | 192.6 Ų | 192.6 | 131.9 Ų | 131.9 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | 174.6 | 136.7 | 130 | -78.8 | 176.9 | -179.9 | -178.5 | 0 | 115.8 | |||||
| 1461 | S | 33.7 | Very low | 33 | Very low | 112.4 Ų | 112.4 | 132.9 Ų | 132.9 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -132.3 | 141.8 | 140.2 | 20.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1462 | S | 34.1 | Very low | 32.8 | Very low | 105.6 Ų | 105.6 | 130.3 Ų | 130.3 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 151.9 | 138 | 114.4 | 112.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1463 | T | 31.7 | Very low | 32.6 | Very low | 120.2 Ų | 120.2 | 132.8 Ų | 132.8 | 74% | 0.737 | 78% | 0.782 | S | S | * | * | 115.1 | 132.7 | 81.6 | -55.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1464 | L | 31.8 | Very low | 32.3 | Very low | 162.8 Ų | 162.8 | 130.1 Ų | 130.1 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | 52.2 | 132.7 | 163 | -67.2 | 161.6 | 0 | 0 | 0 | 117 | ||||
| 1465 | A | 31.3 | Very low | 32.1 | Very low | 94.4 Ų | 94.4 | 130.1 Ų | 130.1 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | -143.9 | 167.9 | 89.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1466 | S | 30.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -155 | 139.1 | 163.1 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | V1468 | S1466-V1468 PolarHBondContact O-N 2.9Š| ||
| 1467 | T | 30.8 | Very low | 31.7 | Very low | 131.8 Ų | 131.8 | 132.6 Ų | 132.6 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | trans | -112.1 | 138.1 | 156.2 | 31 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1468 | V | 33.1 | Very low | 31.2 | Very low | 127.6 Ų | 127.6 | 127.4 Ų | 127.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -149.1 | 114.8 | 157.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | S1466 T1470 | S1466-V1468 PolarHBondContact O-N 2.9Å; V1468-T1470 PolarHBondContact O-N 3.19Å | ||
| 1469 | T | 31 | Very low | 31.1 | Very low | 124.2 Ų | 124.2 | 122.5 Ų | 122.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -29.5 | 130.4 | 137.5 | -44.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1470 | T | 32.1 | Very low | 31 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -145 | 130.4 | 152.8 | -46.8 | 0 | 0 | 0 | 0 | 111.4 | V1468 | V1468-T1470 PolarHBondContact O-N 3.19Š| ||
| 1471 | I | 28.9 | Very low | 31 | Very low | 152.2 Ų | 152.2 | 122 Ų | 122 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 177.7 | 142.7 | 134.5 | -57.2 | 170.4 | 0 | 0 | 0 | 111.9 | ||||
| 1472 | S | 29.3 | Very low | 31 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 109.4 | 126.2 | 155.8 | -66.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1473 | T | 28.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | 97.6 | 138.1 | 84.3 | 31.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1474 | A | 29 | Very low | 31 | Very low | 83.8 Ų | 83.8 | 129.2 Ų | 129.2 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | 65.7 | 143.1 | 123.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1475 | T | 30.2 | Very low | 31.1 | Very low | 124.4 Ų | 124.4 | 126.9 Ų | 126.9 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | 156.2 | 151 | 120.6 | 30.8 | 0 | 0 | 0 | 0 | 112.3 | V1477 | T1475-V1477 HydrophobicContact CG2-CG2 4.41Š| |||
| 1476 | N | 29.7 | Very low | 31.4 | Very low | 142.2 Ų | 142.2 | 130.3 Ų | 130.3 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | trans | 97.2 | 155.3 | 138.7 | -118.1 | -28.2 | 0 | 0 | 0 | 114.9 | Q2330 | N1476-Q2330 VanDerWaalsContact N-NE2 3.16Å; N1476-Q2330 PolarHBondContact O-NE2 3.29Å; N1476-Q2330 VanDerWaalsContact O-NE2 3.07Å | ||
| 1477 | V | 31.4 | Very low | 31.8 | Very low | 114.6 Ų | 114.6 | 129.6 Ų | 129.6 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | 175.9 | 147.6 | -176.2 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | T1475 E2329 | T1475-V1477 HydrophobicContact CG2-CG2 4.41Å; V1477-E2329 VanDerWaalsContact CG2-CD 3.44Å; V1477-E2329 HydrophobicContact CG2-CG 3.69Å | ||
| 1478 | S | 26.5 | Very low | 31.9 | Very low | 107.6 Ų | 107.6 | 130 Ų | 130 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 111.9 | 154 | 142 | -167.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1479 | S | 31.6 | Very low | 32.3 | Very low | 94.6 Ų | 94.6 | 130.7 Ų | 130.7 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | trans | 171 | 147.4 | 158.5 | 40.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1480 | K | 32.2 | Very low | 32.5 | Very low | 184.6 Ų | 184.6 | 132.4 Ų | 132.4 | 80% | 0.803 | 72% | 0.719 | S | S | * | * | 87.3 | 137.6 | 116 | -87.9 | -178.1 | 171.7 | -172.5 | 0 | 116.6 | |||||
| 1481 | D | 32.4 | Very low | 32.6 | Very low | 124.8 Ų | 124.8 | 134.3 Ų | 134.3 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | 106 | 136.6 | 124.5 | -74.6 | -27.3 | 0 | 0 | 0 | 115 | |||||
| 1482 | Q | 34.3 | Very low | 32.9 | Very low | 145.8 Ų | 145.8 | 133.1 Ų | 133.1 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | cis | 163.9 | 149.5 | 21.9 | -112.6 | 176.1 | 70 | 0 | 0 | 109 | ||||
| 1483 | K | 33.1 | Very low | 33.3 | Very low | 148.2 Ų | 148.2 | 136.5 Ų | 136.5 | 64% | 0.644 | 72% | 0.719 | S | S | * | * | 119.3 | 145.5 | 67.9 | -116.1 | 168.8 | -173 | 161.4 | 0 | 112.8 | |||||
| 1484 | Y | 33.7 | Very low | 33.6 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | trans | 87.3 | 132.9 | 144.3 | -69.2 | -58.1 | 0 | 0 | 0 | 112.1 | ||||
| 1485 | D | 33.4 | Very low | 33.8 | Very low | 114.6 Ų | 114.6 | 139.6 Ų | 139.6 | 61% | 0.613 | 72% | 0.718 | S | S | * | * | cis | -173.6 | 150.2 | 17.9 | -119.4 | -6.3 | 0 | 0 | 0 | 110.8 | ||||
| 1486 | K | 37.1 | Very low | 34 | Very low | 167.2 Ų | 167.2 | 137.1 Ų | 137.1 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | 147.1 | 153.6 | 87 | -116.5 | 158.5 | -167.2 | 107.7 | 0 | 115.2 | |||||
| 1487 | S | 38.5 | Very low | 34.2 | Very low | 92.8 Ų | 92.8 | 141.4 Ų | 141.4 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | trans | 52 | 138.2 | 145.7 | 62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1488 | N | 34.4 | Very low | 34.2 | Very low | 141.8 Ų | 141.8 | 139.3 Ų | 139.3 | 76% | 0.758 | 72% | 0.717 | S | S | * | * | 119.2 | 123.8 | 64.7 | -84.3 | 5.8 | 0 | 0 | 0 | 114 | |||||
| 1489 | I | 40.2 | Very low | 34.6 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | 113.8 | 130.2 | 120.1 | -66.5 | 176.2 | 0 | 0 | 0 | 110.8 | H1491 | I1489-H1491 HydrophobicContact CG2-CB 4.5Š| |||
| 1490 | E | 35 | Very low | 34.7 | Very low | 160 Ų | 160 | 148 Ų | 148 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | cis | -129.1 | 156.5 | -3.4 | -128.2 | 151.2 | -161.4 | 0 | 0 | 108.6 | ||||
| 1491 | H | 34.5 | Very low | 34.7 | Very low | 157.8 Ų | 157.8 | 145.1 Ų | 145.1 | 73% | 0.731 | 72% | 0.724 | S | S | * | * | -130.3 | 162.2 | 82.9 | -80.5 | -76.2 | 0 | 0 | 0 | 111.6 | I1489 | I1489-H1491 HydrophobicContact CG2-CB 4.5Š| |||
| 1492 | D | 35.1 | Very low | 34.8 | Very low | 127.2 Ų | 127.2 | 146.1 Ų | 146.1 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | cis | -157.3 | 156.7 | 27.6 | -127.4 | -9.7 | 0 | 0 | 0 | 114.7 | D1494 | D1492-D1494 VanDerWaalsContact C-N 3.34Å; D1492-D1494 PolarHBondContact O-N 3.5Å | ||
| 1493 | E | 37.5 | Very low | 34.7 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 1.2 | 118.2 | 151.6 | -81.4 | -178.8 | 170 | 0 | 0 | 115.8 | L1495 | E1493-L1495 PolarHBondContact O-N 3.49Š| ||
| 1494 | D | 36 | Very low | 34.6 | Very low | 135.8 Ų | 135.8 | 144.3 Ų | 144.3 | 73% | 0.726 | 73% | 0.734 | S | S | * | * | 174.7 | 140.3 | 100.8 | -113.7 | -7.4 | 0 | 0 | 0 | 116.1 | D1492 | D1492-D1494 VanDerWaalsContact C-N 3.34Å; D1492-D1494 PolarHBondContact O-N 3.5Å | |||
| 1495 | L | 33.5 | Very low | 34.4 | Very low | 140.2 Ų | 140.2 | 139.7 Ų | 139.7 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | 2.2 | 125.3 | 144.7 | -84.5 | 163.1 | 0 | 0 | 0 | 116.4 | E1493 R1497 | E1493-L1495 PolarHBondContact O-N 3.49Å; L1495-R1497 PolarHBondContact O-NH2 3.01Å | ||
| 1496 | A | 34.2 | Very low | 34.3 | Very low | 70.6 Ų | 70.6 | 140.4 Ų | 140.4 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | trans | 112.8 | 142 | 140 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1498 | A1496-G1498 PolarHBondContact O-N 3.44Š| ||
| 1497 | R | 33.4 | Very low | 33.9 | Very low | 233.8 Ų | 233.8 | 139.8 Ų | 139.8 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | trans | 63.9 | 130.4 | 174.4 | -65.2 | 157.9 | -76.6 | -138.7 | -4.4 | 110.5 | L1495 | L1495-R1497 PolarHBondContact O-NH2 3.01Š| ||
| 1498 | G | 32.4 | Very low | 33.5 | Very low | 70.8 Ų | 70.8 | 140.6 Ų | 140.6 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | cis | 146.8 | 138.6 | 30.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1496 | A1496-G1498 PolarHBondContact O-N 3.44Š| ||
| 1499 | R | 34.2 | Very low | 33.4 | Very low | 227.8 Ų | 227.8 | 139.4 Ų | 139.4 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | 90.1 | 139.4 | 166 | -66.9 | -169.9 | 171.1 | -168.3 | 0.9 | 112.6 | ||||
| 1500 | E | 34.4 | Very low | 33 | Very low | 156.4 Ų | 156.4 | 135.4 Ų | 135.4 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | 72.5 | 123.9 | 125.7 | -73.4 | 160.4 | 157.4 | 0 | 0 | 112.8 | |||||
| 1501 | T | 30.9 | Very low | 32.8 | Very low | 123.6 Ų | 123.6 | 133.6 Ų | 133.6 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | 174.9 | 122.2 | 94.3 | -64.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1502 | I | 34.2 | Very low | 32.7 | Very low | 146.4 Ų | 146.4 | 131.8 Ų | 131.8 | 75% | 0.751 | 74% | 0.744 | S | S | * | * | trans | -147.9 | 128.2 | 156.2 | -59.3 | 169.1 | 0 | 0 | 0 | 113.2 | ||||
| 1503 | I | 32.5 | Very low | 32.4 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -80.5 | 142.5 | 158.5 | -51.8 | 172.8 | 0 | 0 | 0 | 111.9 | S1505 | I1503-S1505 VanDerWaalsContact CG2-N 3.29Š| ||
| 1504 | P | 32.2 | Very low | 32.2 | Very low | 109.4 Ų | 109.4 | 128.6 Ų | 128.6 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | trans | -122.1 | 163 | -177.6 | 29.1 | -14.5 | 0 | 0 | 0 | 114.6 | ||||
| 1505 | S | 28.3 | Very low | 31.8 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | 82.7 | 145 | 136.2 | 66.7 | 0 | 0 | 0 | 0 | 116.7 | I1503 | I1503-S1505 VanDerWaalsContact CG2-N 3.29Š| ||
| 1506 | V | 32.4 | Very low | 31.7 | Very low | 129.8 Ų | 129.8 | 127.4 Ų | 127.4 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | trans | 119.1 | 117.4 | 156.5 | 173.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1507 | L | 29.1 | Very low | 31.5 | Very low | 154.4 Ų | 154.4 | 129.2 Ų | 129.2 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | 81.1 | 136 | 109.8 | -90.9 | 171.3 | 0 | 0 | 0 | 117.5 | |||||
| 1508 | S | 29.9 | Very low | 31.5 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 73.3 | 148.3 | 154.9 | -95.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1509 | S | 31.1 | Very low | 31.6 | Very low | 116.8 Ų | 116.8 | 126 Ų | 126 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | -172.9 | 137.1 | 97.2 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1510 | G | 32.9 | Very low | 31.4 | Very low | 59.2 Ų | 59.2 | 118.3 Ų | 118.3 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | trans | -170.4 | 136.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1512 | G1510-V1512 PolarHBondContact O-N 3.42Š| ||
| 1511 | V | 30.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | 47.2 | 107.5 | 115.1 | -159.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1512 | V | 32.3 | Very low | 31.4 | Very low | 120.6 Ų | 120.6 | 118.3 Ų | 118.3 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | trans | -144 | 129.4 | 132.1 | 159.9 | 0 | 0 | 0 | 0 | 110.7 | G1510 | G1510-V1512 PolarHBondContact O-N 3.42Š| ||
| 1513 | T | 29 | Very low | 31.3 | Very low | 112.6 Ų | 112.6 | 119.8 Ų | 119.8 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 6.4 | 140.7 | 149.4 | 31.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1514 | T | 32 | Very low | 31.3 | Very low | 119.2 Ų | 119.2 | 121.2 Ų | 121.2 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | -162.8 | 144.1 | 91.3 | 8.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1515 | T | 28.7 | Very low | 31.2 | Very low | 121.8 Ų | 121.8 | 124.7 Ų | 124.7 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | 16 | 134.1 | 144.7 | 52.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1516 | T | 31.9 | Very low | 31.3 | Very low | 128.8 Ų | 128.8 | 124.7 Ų | 124.7 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | -173.7 | 140.9 | 99 | -40.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1517 | S | 29.8 | Very low | 31.3 | Very low | 108.4 Ų | 108.4 | 127.5 Ų | 127.5 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -27.3 | 137.8 | 167 | 38.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1518 | A | 33.4 | Very low | 31.4 | Very low | 91.6 Ų | 91.6 | 127.4 Ų | 127.4 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | 174.7 | 127.2 | 128.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1519 | T | 33.6 | Very low | 31.8 | Very low | 144.6 Ų | 144.6 | 127.6 Ų | 127.6 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | 20.5 | 140.9 | 141.3 | 25.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1520 | G | 31 | Very low | 31.9 | Very low | 66.2 Ų | 66.2 | 129.9 Ų | 129.9 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | 121.1 | 119.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1521 | L | 32.4 | Very low | 31.8 | Very low | 160.2 Ų | 160.2 | 133.7 Ų | 133.7 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | 80.4 | 131.5 | 116.6 | -71.8 | 166 | 0 | 0 | 0 | 116.1 | |||||
| 1522 | T | 32.5 | Very low | 32 | Very low | 119.6 Ų | 119.6 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | 114.2 | 145.9 | 86.5 | 35.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1523 | K | 32.3 | Very low | 32 | Very low | 178.2 Ų | 178.2 | 136.9 Ų | 136.9 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -132.2 | 146.2 | 148.7 | -75.6 | 168.7 | 178.3 | 178.6 | 0 | 113.8 | ||||
| 1524 | Q | 31.1 | Very low | 32.3 | Very low | 176.2 Ų | 176.2 | 138.7 Ų | 138.7 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | -176.9 | 160.4 | 115.8 | -112.5 | 174.4 | -33.6 | 0 | 0 | 114.3 | |||||
| 1525 | K | 29.8 | Very low | 32.4 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | -177.5 | 132.4 | -124.6 | 175.5 | -174.9 | 173.2 | -173.2 | 0 | 112.6 | |||||
| 1526 | S | 31.1 | Very low | 32.7 | Very low | 98.4 Ų | 98.4 | 140.4 Ų | 140.4 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | trans | 103.1 | 142.4 | 149.5 | 64.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1527 | Q | 33.1 | Very low | 32.8 | Very low | 186.8 Ų | 186.8 | 139.2 Ų | 139.2 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | 160.7 | 157.6 | 95.9 | -105.7 | 169.4 | -9.8 | 0 | 0 | 114.7 | |||||
| 1528 | L | 30.8 | Very low | 32.9 | Very low | 153.4 Ų | 153.4 | 139.1 Ų | 139.1 | 80% | 0.803 | 77% | 0.765 | S | S | * | * | trans | -138.8 | 146.8 | 167.2 | -138.4 | 115.9 | 0 | 0 | 0 | 113.5 | E1530 | L1528-E1530 HydrophobicContact CD2-CB 4.04Å; L1528-E1530 HydrophobicContact CD2-CG 3.76Å | ||
| 1529 | P | 38.4 | Very low | 33.2 | Very low | 112.2 Ų | 112.2 | 139.3 Ų | 139.3 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | -121.3 | 171.8 | 174.9 | 33.2 | -17.1 | 0 | 0 | 0 | 114.9 | ||||
| 1530 | E | 33.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | 100.6 | 142.2 | 132.5 | -123.3 | -177 | 134 | 0 | 0 | 118.4 | L1528 | L1528-E1530 HydrophobicContact CD2-CB 4.04Å; L1528-E1530 HydrophobicContact CD2-CG 3.76Å | ||
| 1531 | L | 31.4 | Very low | 33.3 | Very low | 139.4 Ų | 139.4 | 142.7 Ų | 142.7 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | trans | -79.9 | 145.5 | 168.8 | -88.4 | 150.9 | 0 | 0 | 0 | 114.3 | ||||
| 1532 | Q | 34.2 | Very low | 33.4 | Very low | 152.2 Ų | 152.2 | 141 Ų | 141 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | -165 | 142.9 | 73.9 | -113.2 | 162.7 | 33.3 | 0 | 0 | 110.4 | |||||
| 1533 | Q | 32.7 | Very low | 33.5 | Very low | 157.6 Ų | 157.6 | 142.6 Ų | 142.6 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | 73.7 | 131.3 | 98.9 | -127.2 | -177.3 | 56.7 | 0 | 0 | 118.1 | |||||
| 1534 | L | 35.5 | Very low | 33.7 | Very low | 150 Ų | 150 | 143 Ų | 143 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | -179.3 | 139.1 | 102.9 | -94.7 | 147.9 | 0 | 0 | 0 | 112.4 | |||||
| 1535 | Q | 33.8 | Very low | 33.8 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | trans | -84.6 | 166.9 | 144 | -98.3 | -155.7 | -6.8 | 0 | 0 | 111.5 | ||||
| 1536 | P | 35.7 | Very low | 34 | Very low | 104.6 Ų | 104.6 | 140.7 Ų | 140.7 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | cis | -151.4 | -176.2 | 37.4 | 38.9 | -16.3 | 0 | 0 | 0 | 117.1 | ||||
| 1537 | S | 33.1 | Very low | 34.3 | Very low | 104.2 Ų | 104.2 | 140.5 Ų | 140.5 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | trans | 72.5 | 125.8 | 146.7 | 69.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1538 | S | 32.7 | Very low | 34.3 | Very low | 104.8 Ų | 104.8 | 137.3 Ų | 137.3 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 77 | 154.1 | 104.4 | -162.2 | 0 | 0 | 0 | 0 | 115.6 | K1952 | S1538-K1952 WeakPolarHBondContact OG-CD 3.48Å; S1538-K1952 VanDerWaalsContact OG-CE 3.26Å; S1538-K1952 WeakPolarHBondContact OG-CE 3.2Å; S1538-K1952 PolarHBondContact OG-NZ 3.45Å | |||
| 1539 | P | 38.9 | Very low | 34.5 | Very low | 97.6 Ų | 97.6 | 137.8 Ų | 137.8 | 63% | 0.634 | 73% | 0.732 | S | S | * | * | cis | -136.1 | -179.1 | 20.7 | 32.7 | -11.6 | 0 | 0 | 0 | 115.1 | K1952 | P1539-K1952 WeakPolarHBondContact O-CD 3.48Å; P1539-K1952 PolarHBondContact O-NZ 2.85Å | ||
| 1540 | M | 32.1 | Very low | 34.1 | Very low | 143.4 Ų | 143.4 | 137 Ų | 137 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 116.7 | 143.9 | 137.2 | -79 | -175.1 | 70.2 | 0 | 0 | 119.4 | K1952 E1953 | M1540-K1952 WeakPolarHBondContact O-CB 3.36Å; M1540-E1953 VanDerWaalsContact C-CB 3.4Å; M1540-E1953 WeakPolarHBondContact CA-OE1 3.18Å; M1540-E1953 VanDerWaalsContact CB-OE1 3.23Å; M1540-E1953 WeakPolarHBondContact CB-OE1 3.44Å; M1540-E1953 WeakPolarHBondContact CE-OE1 3.46Å; M1540-E1953 HydrophobicContact CG-CG 4.41Å; M1540-E1953 VanDerWaalsContact CG-OE1 3.23Å; M1540-E1953 WeakPolarHBondContact CG-OE1 3.43Å | ||
| 1541 | Q | 34.7 | Very low | 34 | Very low | 137.6 Ų | 137.6 | 136.4 Ų | 136.4 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | 69.7 | 151.4 | 166.3 | -89.9 | -173.7 | 6.1 | 0 | 0 | 117 | K1952 E1953 | Q1541-K1952 WeakPolarHBondContact CA-O 3.44Å; Q1541-E1953 WeakPolarHBondContact CA-OE1 3.44Å; Q1541-E1953 HydrophobicContact CB-CB 4.1Å; Q1541-E1953 HydrophobicContact CB-CG 4.34Å; Q1541-E1953 WeakPolarHBondContact CB-OE1 3.45Å; Q1541-E1953 HydrophobicContact CG-CB 3.81Å; Q1541-E1953 HydrophobicContact CG-CG 3.91Å; Q1541-E1953 VanDerWaalsContact CG-OE1 3.27Å; Q1541-E1953 WeakPolarHBondContact CG-OE1 3.16Å; Q1541-E1953 PolarHBondContact N-OE1 2.77Å; Q1541-E1953 VanDerWaalsContact NE2-CD 3.29Å; Q1541-E1953 PolarHBondContact NE2-OE2 3.38Å | ||
| 1542 | E | 33.8 | Very low | 34 | Very low | 125.2 Ų | 125.2 | 137.2 Ų | 137.2 | 59% | 0.585 | 73% | 0.73 | S | S | * | * | 170.4 | 154.5 | 54.5 | -104.9 | -164.7 | 159.7 | 0 | 0 | 114.3 | |||||
| 1543 | K | 36.1 | Very low | 34 | Very low | 151.8 Ų | 151.8 | 136.1 Ų | 136.1 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | 74.6 | 132.2 | 135.9 | -80.5 | 166.9 | -175.1 | 146.6 | 0 | 120 | ||||
| 1544 | K | 35.3 | Very low | 34 | Very low | 187.2 Ų | 187.2 | 135 Ų | 135 | 81% | 0.814 | 73% | 0.732 | S | S | * | * | trans | 76.1 | 137.3 | 133.6 | -81 | -178.7 | 175.2 | 178.9 | 0 | 117.6 | ||||
| 1545 | T | 33.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | cis | -172 | 130.8 | 21.6 | -14.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1546 | K | 34.8 | Very low | 33.9 | Very low | 196.8 Ų | 196.8 | 131.9 Ų | 131.9 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | 66.1 | 121.2 | 117.7 | -130.9 | 178.2 | -176.1 | -178.3 | 0 | 116.1 | |||||
| 1547 | A | 35.4 | Very low | 33.8 | Very low | 92.8 Ų | 92.8 | 135.2 Ų | 135.2 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | -167.1 | 145.1 | 120.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1548 | T | 33.3 | Very low | 33.7 | Very low | 120.6 Ų | 120.6 | 139 Ų | 139 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | cis | -172.3 | 121.7 | -16.2 | -74.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1549 | L | 35.2 | Very low | 33.6 | Very low | 163.8 Ų | 163.8 | 141.1 Ų | 141.1 | 86% | 0.858 | 74% | 0.735 | S | S | * | * | trans | 120.9 | 129.8 | 161.2 | -78.8 | 144.9 | 0 | 0 | 0 | 110.7 | ||||
| 1550 | S | 29.6 | Very low | 33.3 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | 110.9 | 127.9 | 53 | -162.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1551 | M | 32 | Very low | 33.2 | Very low | 151.8 Ų | 151.8 | 146.7 Ų | 146.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | -149.2 | 144.2 | 111.5 | -85.2 | -111.8 | 73.6 | 0 | 0 | 108.8 | I1554 | M1551-I1554 HydrophobicContact CE-CD1 3.88Š| |||
| 1552 | M | 32.7 | Very low | 33 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | -177.2 | 137.7 | 128 | -76.2 | -174.7 | 178.7 | 0 | 0 | 113.8 | I1554 | M1552-I1554 HydrophobicContact CG-CD1 4.17Š| |||
| 1553 | T | 32.2 | Very low | 32.8 | Very low | 128.8 Ų | 128.8 | 146.4 Ų | 146.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | 106.8 | 140.1 | 129.4 | -13.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1554 | I | 33.8 | Very low | 32.6 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | 90.2 | 124.7 | 132.5 | -56.4 | 169.5 | 0 | 0 | 0 | 113.6 | M1551 M1552 | M1551-I1554 HydrophobicContact CE-CD1 3.88Å; M1552-I1554 HydrophobicContact CG-CD1 4.17Å | ||
| 1555 | E | 34.2 | Very low | 32.8 | Very low | 168.8 Ų | 168.8 | 141.3 Ų | 141.3 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | 66.6 | 148.6 | 109 | -102.6 | -172.3 | 172.2 | 0 | 0 | 116.8 | K1558 | E1555-K1558 IonicContact OE1-NZ 3.29Å; E1555-K1558 PolarHBondContact OE1-NZ 2.95Å; E1555-K1558 IonicContact OE2-NZ 2.66Å; E1555-K1558 PolarHBondContact OE2-NZ 3.4Å | |||
| 1556 | S | 31.9 | Very low | 32.7 | Very low | 89.8 Ų | 89.8 | 143.4 Ų | 143.4 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | trans | 106.8 | 109.8 | 173.1 | -75.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1557 | Q | 34 | Very low | 32.7 | Very low | 172.8 Ų | 172.8 | 137.3 Ų | 137.3 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | 59.8 | 116.9 | 127 | -60.1 | 176.6 | 24.1 | 0 | 0 | 117.7 | |||||
| 1558 | K | 32.2 | Very low | 32.7 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 149.7 | 119.3 | 126.7 | -109.5 | 165.4 | -163.2 | 164.7 | 0 | 115.1 | E1555 K1560 | E1555-K1558 IonicContact OE1-NZ 3.29Å; E1555-K1558 PolarHBondContact OE1-NZ 2.95Å; E1555-K1558 IonicContact OE2-NZ 2.66Å; E1555-K1558 PolarHBondContact OE2-NZ 3.4Å; K1558-K1560 PolarHBondContact O-N 3.25Å | |||
| 1559 | L | 30.5 | Very low | 32.8 | Very low | 148.8 Ų | 148.8 | 145 Ų | 145 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | 139.7 | 123.5 | 139.2 | -131.9 | 83 | 0 | 0 | 0 | 110.7 | ||||
| 1560 | K | 32.6 | Very low | 32.9 | Very low | 188.2 Ų | 188.2 | 144.6 Ų | 144.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | 88.3 | 122.6 | 77.2 | -115.3 | 176 | -176.1 | -176.6 | 0 | 114.6 | K1558 | K1558-K1560 PolarHBondContact O-N 3.25Š| |||
| 1561 | Q | 28.5 | Very low | 33.2 | Very low | 170.6 Ų | 170.6 | 147 Ų | 147 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 88.4 | 138.8 | 152.2 | -75.8 | 179.6 | -20.2 | 0 | 0 | 115.3 | ||||
| 1562 | I | 31.3 | Very low | 33.4 | Very low | 149.8 Ų | 149.8 | 143 Ų | 143 | 77% | 0.768 | 77% | 0.765 | S | S | * | * | 116.6 | 126.5 | 124.9 | -71.8 | 159.2 | 0 | 0 | 0 | 111.8 | |||||
| 1563 | S | 30 | Very low | 33.4 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 88.4 | 132.1 | 104.3 | 14.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1564 | S | 31.3 | Very low | 33.6 | Very low | 110.4 Ų | 110.4 | 143.7 Ų | 143.7 | 77% | 0.772 | 77% | 0.77 | S | S | * | * | trans | -54.6 | 164.9 | 166.7 | -47.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1565 | P | 39.3 | Very low | 33.7 | Very low | 121.4 Ų | 121.4 | 146.1 Ų | 146.1 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | -121.1 | 160.1 | 69.9 | 33.1 | -17.5 | 0 | 0 | 0 | 113.7 | |||||
| 1566 | D | 31 | Very low | 33.9 | Very low | 160.2 Ų | 160.2 | 144.5 Ų | 144.5 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | 47.9 | 131.7 | 80.5 | -127.6 | -9.9 | 0 | 0 | 0 | 117.6 | |||||
| 1567 | G | 35.9 | Very low | 34.4 | Very low | 67 Ų | 67 | 145.6 Ų | 145.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 154 | 104.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1568 | R | 35.7 | Very low | 34.3 | Very low | 209.8 Ų | 209.8 | 147.6 Ų | 147.6 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | 32.3 | 123.6 | 159.5 | -74.3 | -179.2 | 175.6 | -96.3 | -2.1 | 115.4 | E1570 | R1568-E1570 IonicContact CZ-OE2 2.75Å; R1568-E1570 IonicContact NH1-OE2 2.69Å; R1568-E1570 PolarHBondContact NH1-OE2 3.12Å; R1568-E1570 IonicContact NH2-OE2 3.19Å; R1568-E1570 PolarHBondContact NH2-OE2 2.67Å; R1568-E1570 VanDerWaalsContact NH2-OE2 3.16Å | ||
| 1569 | E | 35.6 | Very low | 34.8 | Very low | 165.8 Ų | 165.8 | 144.1 Ų | 144.1 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | 73.3 | 125.5 | 105.8 | -74.4 | 171.7 | 168.3 | 0 | 0 | 115.8 | |||||
| 1570 | E | 36.3 | Very low | 34.9 | Very low | 155.8 Ų | 155.8 | 142.7 Ų | 142.7 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | 166.1 | 128.9 | 144.4 | -140.9 | 180 | 176.1 | 0 | 0 | 111.7 | H1223 R1568 | H1223-E1570 VanDerWaalsContact CD2-CD 3.44Å; H1223-E1570 IonicContact CD2-OE1 3.61Å; H1223-E1570 PolarHBondContact CD2-OE1 2.8Å; H1223-E1570 IonicContact CD2-OE2 2.65Å; H1223-E1570 IonicContact CG-OE1 3.51Å; H1223-E1570 IonicContact NE2-OE1 3.77Å; H1223-E1570 IonicContact NE2-OE2 3.74Å; R1568-E1570 IonicContact CZ-OE2 2.75Å; R1568-E1570 IonicContact NH1-OE2 2.69Å; R1568-E1570 PolarHBondContact NH1-OE2 3.12Å; R1568-E1570 IonicContact NH2-OE2 3.19Å; R1568-E1570 PolarHBondContact NH2-OE2 2.67Å; R1568-E1570 VanDerWaalsContact NH2-OE2 3.16Å | ||
| 1571 | N | 36 | Very low | 35 | Very low | 146.2 Ų | 146.2 | 139.3 Ų | 139.3 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | 134.9 | 129.4 | 156 | -77.2 | -45.4 | 0 | 0 | 0 | 112.6 | H1223 | H1223-N1571 HydrophobicContact CB-CB 3.63Å; H1223-N1571 VanDerWaalsContact CB-CG 3.48Å; H1223-N1571 WeakPolarHBondContact CB-ND2 3.39Å | ||
| 1572 | G | 37.5 | Very low | 35.2 | Very low | 68.2 Ų | 68.2 | 136.5 Ų | 136.5 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | 124.5 | 119 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1574 | G1572-S1574 PolarHBondContact O-N 2.85Å; G1572-S1574 PolarHBondContact O-OG 3.35Å | ||
| 1573 | E | 32.6 | Very low | 35.4 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | cis | -115.5 | 145.5 | -15.9 | -62.5 | -176.7 | 146.1 | 0 | 0 | 110.3 | ||||
| 1574 | S | 36.2 | Very low | 35.7 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -129.1 | 121.2 | 167.3 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | G1572 I1576 | G1572-S1574 PolarHBondContact O-N 2.85Å; G1572-S1574 PolarHBondContact O-OG 3.35Å; S1574-I1576 PolarHBondContact O-N 2.92Å | ||
| 1575 | E | 35.2 | Very low | 35.8 | Very low | 182.8 Ų | 182.8 | 134.6 Ų | 134.6 | 85% | 0.854 | 77% | 0.767 | S | S | * | * | trans | -66.6 | 130.8 | 165.4 | -170.3 | 177.2 | -169.1 | 0 | 0 | 114 | ||||
| 1576 | I | 37.7 | Very low | 35.7 | Very low | 135.2 Ų | 135.2 | 137.7 Ų | 137.7 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | trans | -112.5 | 123.9 | 170.7 | -60.3 | 176.2 | 0 | 0 | 0 | 112.5 | S1574 Y1578 | S1574-I1576 PolarHBondContact O-N 2.92Å; I1576-Y1578 HydrophobicContact CD1-CE2 4.25Å; I1576-Y1578 HydrophobicContact CG2-CD2 4.05Å; I1576-Y1578 HydrophobicContact CG2-CE2 4.32Å; I1576-Y1578 PolarHBondContact O-N 3.03Å | ||
| 1577 | P | 43.3 | Very low | 36 | Very low | 114.2 Ų | 114.2 | 135.2 Ų | 135.2 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -92.4 | 136.1 | 170.7 | 30.3 | -28.5 | 0 | 0 | 0 | 113.4 | ||||
| 1578 | Y | 31 | Very low | 35.9 | Very low | 214.6 Ų | 214.6 | 138.4 Ų | 138.4 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -70.5 | 144.4 | 175.3 | -98.6 | -100.5 | 0 | 0 | 0 | 112.8 | I1576 V1580 | I1576-Y1578 HydrophobicContact CD1-CE2 4.25Å; I1576-Y1578 HydrophobicContact CG2-CD2 4.05Å; I1576-Y1578 HydrophobicContact CG2-CE2 4.32Å; I1576-Y1578 PolarHBondContact O-N 3.03Å; Y1578-V1580 PolarHBondContact O-N 3.23Å | ||
| 1579 | P | 43.4 | Very low | 36.3 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -88 | 116.2 | 176 | 31.5 | -31.4 | 0 | 0 | 0 | 112.7 | S1581 | P1579-S1581 PolarHBondContact O-N 3.11Å; P1579-S1581 PolarHBondContact O-OG 3.31Å | ||
| 1580 | V | 32.3 | Very low | 36.3 | Very low | 117.6 Ų | 117.6 | 135.5 Ų | 135.5 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -76.1 | 123.6 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | Y1428 Y1578 V1582 | Y1428-V1580 PolarHBondContact OH-O 2.88Å; Y1578-V1580 PolarHBondContact O-N 3.23Å; V1580-V1582 HydrophobicContact CB-CG2 4.34Å; V1580-V1582 HydrophobicContact CG1-CG2 3.78Å; V1580-V1582 PolarHBondContact O-N 3.22Å | ||
| 1581 | S | 35.5 | Very low | 36.4 | Very low | 118.4 Ų | 118.4 | 135.9 Ų | 135.9 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -103 | 89.6 | 176.8 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | P1579 S1583 | P1579-S1581 PolarHBondContact O-N 3.11Å; P1579-S1581 PolarHBondContact O-OG 3.31Å; S1581-S1583 PolarHBondContact O-N 3.12Å | ||
| 1582 | V | 33.3 | Very low | 36.3 | Very low | 110.4 Ų | 110.4 | 137.6 Ų | 137.6 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -94.9 | 121.4 | 178.3 | -152.7 | 0 | 0 | 0 | 0 | 109.6 | Y1428 V1580 A1584 | Y1428-V1582 HydrophobicContact CE1-CB 3.87Å; Y1428-V1582 HydrophobicContact CE1-CG1 4.49Å; Y1428-V1582 HydrophobicContact CE1-CG2 3.77Å; V1580-V1582 HydrophobicContact CB-CG2 4.34Å; V1580-V1582 HydrophobicContact CG1-CG2 3.78Å; V1580-V1582 PolarHBondContact O-N 3.22Å; V1582-A1584 HydrophobicContact CG1-CB 4.37Å; V1582-A1584 PolarHBondContact O-N 3.27Å; V1582-A1584 VanDerWaalsContact O-N 3.12Å | ||
| 1583 | S | 35.5 | Very low | 36.2 | Very low | 117.4 Ų | 117.4 | 138.5 Ų | 138.5 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -123.9 | 85.2 | 173.4 | -88.9 | 0 | 0 | 0 | 0 | 112.1 | S1581 V1585 | S1581-S1583 PolarHBondContact O-N 3.12Å; S1583-V1585 PolarHBondContact O-N 3.29Å | ||
| 1584 | A | 34.4 | Very low | 36.2 | Very low | 86.8 Ų | 86.8 | 135.2 Ų | 135.2 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | -81.6 | 90.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1429 V1582 K1586 | P1429-A1584 VanDerWaalsContact CG-CA 3.46Å; P1429-A1584 HydrophobicContact CG-CB 3.82Å; V1582-A1584 HydrophobicContact CG1-CB 4.37Å; V1582-A1584 PolarHBondContact O-N 3.27Å; V1582-A1584 VanDerWaalsContact O-N 3.12Å; A1584-K1586 PolarHBondContact O-N 2.89Å; A1584-K1586 VanDerWaalsContact O-N 3.14Å | ||
| 1585 | V | 34.2 | Very low | 36.1 | Very low | 123.6 Ų | 123.6 | 135.3 Ų | 135.3 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -87.3 | 126.3 | 160 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | P1429 S1583 | P1429-V1585 HydrophobicContact CB-CB 4.4Å; P1429-V1585 VanDerWaalsContact CB-O 3.24Å; P1429-V1585 WeakPolarHBondContact CB-O 3.39Å; P1429-V1585 VanDerWaalsContact CG-N 3.32Å; S1583-V1585 PolarHBondContact O-N 3.29Å | ||
| 1586 | K | 36.6 | Very low | 36 | Very low | 187.4 Ų | 187.4 | 135.4 Ų | 135.4 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -79.8 | 154.9 | 179.5 | -80 | 170.8 | -178.4 | 173.4 | 0 | 113 | A1584 V1588 | A1584-K1586 PolarHBondContact O-N 2.89Å; A1584-K1586 VanDerWaalsContact O-N 3.14Å; K1586-V1588 PolarHBondContact O-N 3.38Å | ||
| 1587 | P | 37.8 | Very low | 35.9 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -85 | 150.7 | -175.6 | 33.9 | -32.5 | 0 | 0 | 0 | 113 | Y1428 P1589 | Y1428-P1587 HydrophobicContact CD1-CB 4.16Å; Y1428-P1587 HydrophobicContact CD1-CG 4.27Å; Y1428-P1587 HydrophobicContact CD2-CB 4.33Å; Y1428-P1587 HydrophobicContact CD2-CG 3.78Å; Y1428-P1587 HydrophobicContact CE1-CB 3.64Å; Y1428-P1587 HydrophobicContact CE1-CG 4.14Å; Y1428-P1587 HydrophobicContact CE2-CB 3.83Å; Y1428-P1587 HydrophobicContact CE2-CG 3.63Å; Y1428-P1587 HydrophobicContact CG-CG 4.13Å; Y1428-P1587 VanDerWaalsContact CZ-CB 3.47Å; P1587-P1589 WeakPolarHBondContact O-CD 3.45Å | ||
| 1588 | V | 34.7 | Very low | 35.5 | Very low | 133.4 Ų | 133.4 | 135.3 Ų | 135.3 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -108.9 | 141 | 169 | -177.8 | 0 | 0 | 0 | 0 | 111 | K1586 K1590 | K1586-V1588 PolarHBondContact O-N 3.38Å; V1588-K1590 HydrophobicContact CG1-CG 4.11Å; V1588-K1590 PolarHBondContact O-N 2.92Å | ||
| 1589 | P | 42.9 | Very low | 35.6 | Very low | 115.2 Ų | 115.2 | 130.1 Ų | 130.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -95.4 | 151.4 | -164.9 | 6.5 | 6.7 | 0 | 0 | 0 | 113.8 | P1587 L1591 | P1587-P1589 WeakPolarHBondContact O-CD 3.45Å; P1589-L1591 PolarHBondContact O-N 2.9Å | ||
| 1590 | K | 35 | Very low | 35.2 | Very low | 198.6 Ų | 198.6 | 134 Ų | 134 | 86% | 0.863 | 78% | 0.778 | S | S | * | * | trans | -78.3 | 122.5 | 173.2 | -63.9 | 176.9 | 179.3 | 176.4 | 0 | 111.2 | V1588 K1592 | V1588-K1590 HydrophobicContact CG1-CG 4.11Å; V1588-K1590 PolarHBondContact O-N 2.92Å; K1590-K1592 PolarHBondContact O-N 3.14Å | ||
| 1591 | L | 39.2 | Very low | 35.3 | Very low | 164.8 Ų | 164.8 | 140 Ų | 140 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | trans | -117.3 | 139.6 | 160.5 | -76.3 | -179.5 | 0 | 0 | 0 | 110.6 | P1589 L1987 | P1589-L1591 PolarHBondContact O-N 2.9Å; L1591-L1987 VanDerWaalsContact O-CD2 3.27Å; L1591-L1987 WeakPolarHBondContact O-CD2 3.45Å | ||
| 1592 | K | 33.4 | Very low | 35.3 | Very low | 181.2 Ų | 181.2 | 142.7 Ų | 142.7 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | -103.3 | 149.9 | -177 | -79.6 | 177.7 | 177.5 | 176.7 | 0 | 109.9 | K1590 T1985 D1986 L1987 | K1590-K1592 PolarHBondContact O-N 3.14Å; K1592-T1985 WeakPolarHBondContact CE-O 3.2Å; K1592-T1985 PolarHBondContact NZ-O 3.15Å; K1592-T1985 PolarHBondContact NZ-OG1 3.5Å; K1592-D1986 WeakPolarHBondContact CE-O 3.43Å; K1592-D1986 WeakPolarHBondContact CG-O 3.35Å; K1592-L1987 HydrophobicContact CB-CD1 4.37Å; K1592-L1987 HydrophobicContact CG-CD1 4.14Å | ||
| 1593 | A | 35.8 | Very low | 35.5 | Very low | 87.4 Ų | 87.4 | 143.7 Ų | 143.7 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -158.4 | 136.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1987 | A1593-L1987 HydrophobicContact CB-CD1 3.47Å; A1593-L1987 VanDerWaalsContact CB-CD1 3.47Å | ||
| 1594 | T | 32 | Very low | 35.4 | Very low | 122.2 Ų | 122.2 | 146 Ų | 146 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | cis | -157.1 | 136.9 | 46.3 | 38.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1595 | S | 35.4 | Very low | 35.4 | Very low | 110.8 Ų | 110.8 | 149.5 Ų | 149.5 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -151.4 | 146.5 | 142.8 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1596 | K | 33.5 | Very low | 35.5 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -103.8 | 150.9 | 148.8 | -59.8 | 170.8 | -179.1 | 174.7 | 0 | 111.3 | ||||
| 1597 | S | 34.7 | Very low | 35.4 | Very low | 113.6 Ų | 113.6 | 148.6 Ų | 148.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -153.8 | 141 | 147 | 98.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1598 | T | 34.8 | Very low | 35.4 | Very low | 134.6 Ų | 134.6 | 151.4 Ų | 151.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 144.8 | 164.2 | 44.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1599 | S | 33.6 | Very low | 35.4 | Very low | 105.4 Ų | 105.4 | 153.1 Ų | 153.1 | 74% | 0.737 | 79% | 0.789 | S | S | * | * | -175.1 | 126.2 | 106.6 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1600 | K | 34.1 | Very low | 35.1 | Very low | 193.2 Ų | 193.2 | 153.2 Ų | 153.2 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 46 | 115.8 | 135.8 | -67.2 | 179.3 | -179.9 | -179.8 | 0 | 117.3 | ||||
| 1601 | R | 35.8 | Very low | 35.1 | Very low | 241.8 Ų | 241.8 | 151.4 Ų | 151.4 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | 179 | 150.3 | 125.8 | -94.2 | 175.5 | -179.7 | -165.3 | -1.4 | 111.3 | |||||
| 1602 | Q | 34.8 | Very low | 35.2 | Very low | 175.6 Ų | 175.6 | 148.7 Ų | 148.7 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | -172.5 | 138.7 | -57.3 | -174.4 | 178.4 | 0.6 | 0 | 0 | 109.1 | |||||
| 1603 | T | 36.6 | Very low | 35.5 | Very low | 131.4 Ų | 131.4 | 145.3 Ų | 145.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 109.4 | 148.3 | 175 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1604 | H | 33.2 | Very low | 35.6 | Very low | 166.2 Ų | 166.2 | 146.2 Ų | 146.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | -131.1 | 151.6 | -71.2 | -170.3 | -106.1 | 0 | 0 | 0 | 110 | |||||
| 1605 | E | 36 | Very low | 35.6 | Very low | 159.4 Ų | 159.4 | 149.6 Ų | 149.6 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -28.3 | 155.5 | 167.6 | -66.2 | 179.3 | 157.9 | 0 | 0 | 114.4 | ||||
| 1606 | H | 35 | Very low | 35.6 | Very low | 163.6 Ų | 163.6 | 155.2 Ų | 155.2 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | cis | -138.7 | 154.3 | -28 | -153.9 | -103.1 | 0 | 0 | 0 | 111.4 | Q1608 | H1606-Q1608 PolarHBondContact O-N 3.4Å; H1606-Q1608 VanDerWaalsContact O-N 3.13Å | ||
| 1607 | L | 35.3 | Very low | 35.6 | Very low | 129.2 Ų | 129.2 | 153.1 Ų | 153.1 | 68% | 0.676 | 77% | 0.773 | S | S | * | * | trans | -38.6 | 134.4 | 171.7 | -63.7 | 147.3 | 0 | 0 | 0 | 115.2 | H1609 | L1607-H1609 PolarHBondContact O-N 2.95Š| ||
| 1608 | Q | 38.2 | Very low | 35.5 | Very low | 166.8 Ų | 166.8 | 158 Ų | 158 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -162 | 132.2 | 142.7 | -99.9 | 170 | -6.6 | 0 | 0 | 113 | H1606 | H1606-Q1608 PolarHBondContact O-N 3.4Å; H1606-Q1608 VanDerWaalsContact O-N 3.13Å | ||
| 1609 | H | 33.1 | Very low | 35.4 | Very low | 169.2 Ų | 169.2 | 158.4 Ų | 158.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -93.6 | 162.9 | 179.7 | -64.1 | -66.8 | 0 | 0 | 0 | 113 | L1607 I1611 | L1607-H1609 PolarHBondContact O-N 2.95Å; H1609-I1611 PolarHBondContact O-N 2.81Å | ||
| 1610 | P | 36.8 | Very low | 35.4 | Very low | 117.2 Ų | 117.2 | 161.7 Ų | 161.7 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -100.4 | 152.9 | 160.9 | 14.6 | -2.1 | 0 | 0 | 0 | 114.4 | P1612 | P1610-P1612 WeakPolarHBondContact O-CD 3.21Š| ||
| 1611 | I | 35 | Very low | 35.2 | Very low | 160 Ų | 160 | 158.6 Ų | 158.6 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | trans | -40.1 | 127 | 159.6 | -73.9 | 164.6 | 0 | 0 | 0 | 112.7 | H1609 | H1609-I1611 PolarHBondContact O-N 2.81Š| ||
| 1612 | P | 41.5 | Very low | 35.2 | Very low | 109.2 Ų | 109.2 | 156 Ų | 156 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | -102 | 174.6 | 179 | 37.9 | -30.3 | 0 | 0 | 0 | 113.1 | P1610 | P1610-P1612 WeakPolarHBondContact O-CD 3.21Š| ||
| 1613 | P | 39.6 | Very low | 35.3 | Very low | 108.8 Ų | 108.8 | 152.2 Ų | 152.2 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -99.7 | 174.4 | -179 | 26.8 | -14.9 | 0 | 0 | 0 | 113.4 | Y1615 | P1613-Y1615 PolarHBondContact O-N 2.56Š| ||
| 1614 | P | 38.6 | Very low | 35.1 | Very low | 107.8 Ų | 107.8 | 154.1 Ų | 154.1 | 70% | 0.7 | 76% | 0.76 | S | S | * | * | trans | -106.6 | 143.6 | 139.5 | 33.6 | -29.5 | 0 | 0 | 0 | 113.7 | W1616 D2033 | P1614-W1616 PolarHBondContact O-N 2.83Å; P1614-D2033 WeakPolarHBondContact CB-OD1 3.4Å; P1614-D2033 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 1615 | Y | 32.4 | Very low | 35 | Very low | 192.6 Ų | 192.6 | 157.3 Ų | 157.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -103.4 | 127.6 | 179.9 | -132.4 | -101.9 | 0 | 0 | 0 | 112.4 | P1613 H1617 | P1613-Y1615 PolarHBondContact O-N 2.56Å; Y1615-H1617 AromaticContact CD1-CE1 3.87Å; Y1615-H1617 AromaticContact CD1-ND1 3.79Å; Y1615-H1617 AromaticContact CE1-CE1 3.55Å; Y1615-H1617 WeakPolarHBondContact CE1-CE1 3.41Å; Y1615-H1617 AromaticContact CE1-ND1 3.52Å; Y1615-H1617 AromaticContact CZ-CE1 3.58Å; Y1615-H1617 PolarHBondContact O-N 2.84Å; Y1615-H1617 PolarHBondContact O-ND1 3.17Å | ||
| 1616 | W | 34.8 | Very low | 34.9 | Very low | 228 Ų | 228 | 156.2 Ų | 156.2 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -95.9 | 133.3 | 160.7 | -71.4 | 73.8 | 0 | 0 | 0 | 111.3 | P1614 Y1618 | P1614-W1616 PolarHBondContact O-N 2.83Å; W1616-Y1618 PolarHBondContact O-N 3.41Å | ||
| 1617 | H | 33.5 | Very low | 34.8 | Very low | 142.4 Ų | 142.4 | 157.2 Ų | 157.2 | 66% | 0.659 | 77% | 0.765 | S | S | * | * | trans | -60.7 | 132.6 | 171.3 | -77.1 | 58.6 | 0 | 0 | 0 | 114.6 | Y1615 H1619 | Y1615-H1617 AromaticContact CD1-CE1 3.87Å; Y1615-H1617 AromaticContact CD1-ND1 3.79Å; Y1615-H1617 AromaticContact CE1-CE1 3.55Å; Y1615-H1617 WeakPolarHBondContact CE1-CE1 3.41Å; Y1615-H1617 AromaticContact CE1-ND1 3.52Å; Y1615-H1617 AromaticContact CZ-CE1 3.58Å; Y1615-H1617 PolarHBondContact O-N 2.84Å; Y1615-H1617 PolarHBondContact O-ND1 3.17Å; H1617-H1619 PolarHBondContact O-N 3.25Å; H1617-H1619 VanDerWaalsContact O-N 3.11Å | ||
| 1618 | Y | 31.8 | Very low | 34.6 | Very low | 214.8 Ų | 214.8 | 160.4 Ų | 160.4 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -135.3 | 134.6 | 136.9 | -98.3 | -86.5 | 0 | 0 | 0 | 114.2 | W1616 H1620 | W1616-Y1618 PolarHBondContact O-N 3.41Å; Y1618-H1620 PolarHBondContact O-N 2.9Å | ||
| 1619 | H | 33.3 | Very low | 34.4 | Very low | 144.4 Ų | 144.4 | 160.4 Ų | 160.4 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -85.8 | 143.1 | 175.4 | -95.8 | -86.7 | 0 | 0 | 0 | 114 | H1617 | H1617-H1619 PolarHBondContact O-N 3.25Å; H1617-H1619 VanDerWaalsContact O-N 3.11Å | ||
| 1620 | H | 33.3 | Very low | 34.4 | Very low | 174.4 Ų | 174.4 | 159.9 Ų | 159.9 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -116 | 132.1 | 157.7 | -108.7 | -79.5 | 0 | 0 | 0 | 112.4 | Y1618 R2044 | Y1618-H1620 PolarHBondContact O-N 2.9Å; H1620-R2044 PolarHBondContact ND1-NH1 3.39Å | ||
| 1621 | N | 31.1 | Very low | 34.2 | Very low | 127.2 Ų | 127.2 | 161.9 Ų | 161.9 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | -121.2 | 116.2 | 161.8 | -80.3 | -26 | 0 | 0 | 0 | 113 | R2044 | N1621-R2044 PolarHBondContact OD1-NH1 3.13Š| ||
| 1622 | E | 36.2 | Very low | 34.1 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | -176.6 | 131.5 | 128.1 | -81 | -166.6 | 175.9 | 0 | 0 | 113.3 | Q1624 | E1622-Q1624 PolarHBondContact O-N 3.47Š| |||
| 1623 | A | 35.5 | Very low | 33.9 | Very low | 96.4 Ų | 96.4 | 162.8 Ų | 162.8 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | 159.8 | 119.6 | 114.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1625 | A1623-R1625 PolarHBondContact O-N 2.92Š| |||
| 1624 | Q | 33.2 | Very low | 33.5 | Very low | 172 Ų | 172 | 161.9 Ų | 161.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -49 | 123.9 | 173.5 | -99.9 | -178 | 9.9 | 0 | 0 | 115.5 | E1622 Q1626 | E1622-Q1624 PolarHBondContact O-N 3.47Å; Q1624-Q1626 PolarHBondContact O-N 2.75Å | ||
| 1625 | R | 30.2 | Very low | 33.2 | Very low | 233.6 Ų | 233.6 | 163 Ų | 163 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | -130 | 130.1 | 129.2 | -84.3 | -164.6 | 175.2 | -157.5 | -0.2 | 113.9 | A1623 | A1623-R1625 PolarHBondContact O-N 2.92Š| |||
| 1626 | Q | 35.2 | Very low | 33.1 | Very low | 135.8 Ų | 135.8 | 158.3 Ų | 158.3 | 64% | 0.635 | 78% | 0.777 | S | S | * | * | trans | -87.2 | 143.6 | 154.3 | -72.2 | -171.7 | -5.3 | 0 | 0 | 112.4 | Q1624 Y1628 | Q1624-Q1626 PolarHBondContact O-N 2.75Å; Q1626-Y1628 HydrophobicContact CB-CD2 3.8Å; Q1626-Y1628 HydrophobicContact CB-CE2 4.37Å; Q1626-Y1628 HydrophobicContact CG-CD2 4.24Å; Q1626-Y1628 HydrophobicContact CG-CE2 4.31Å; Q1626-Y1628 PolarHBondContact O-N 3.28Å | ||
| 1627 | Q | 32.6 | Very low | 32.9 | Very low | 185.2 Ų | 185.2 | 152.4 Ų | 152.4 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | -110.2 | 124.8 | 162 | -77.4 | 175.5 | -59.3 | 0 | 0 | 111 | ||||
| 1628 | Y | 31.1 | Very low | 33 | Very low | 194.8 Ų | 194.8 | 153.8 Ų | 153.8 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -113.5 | 146.4 | 166.9 | -82.8 | -102 | 0 | 0 | 0 | 110.2 | Q1626 Q1630 | Q1626-Y1628 HydrophobicContact CB-CD2 3.8Å; Q1626-Y1628 HydrophobicContact CB-CE2 4.37Å; Q1626-Y1628 HydrophobicContact CG-CD2 4.24Å; Q1626-Y1628 HydrophobicContact CG-CE2 4.31Å; Q1626-Y1628 PolarHBondContact O-N 3.28Å; Y1628-Q1630 VanDerWaalsContact C-N 3.3Å; Y1628-Q1630 PolarHBondContact O-N 3.15Å | ||
| 1629 | H | 33.2 | Very low | 33.1 | Very low | 168.6 Ų | 168.6 | 151.2 Ų | 151.2 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -103.1 | 144.1 | 173.5 | -71.5 | -70 | 0 | 0 | 0 | 112.3 | H1631 | H1629-H1631 PolarHBondContact O-CD2 3.36Å; H1629-H1631 PolarHBondContact O-N 2.97Å | ||
| 1630 | Q | 34.5 | Very low | 33 | Very low | 157.8 Ų | 157.8 | 147.5 Ų | 147.5 | 74% | 0.737 | 78% | 0.783 | S | S | * | * | trans | -115 | 135.3 | 166.3 | -82.4 | 167.7 | -17.9 | 0 | 0 | 112.3 | Y1628 H1632 | Y1628-Q1630 VanDerWaalsContact C-N 3.3Å; Y1628-Q1630 PolarHBondContact O-N 3.15Å; Q1630-H1632 PolarHBondContact O-N 3.3Å; Q1630-H1632 VanDerWaalsContact O-N 3.09Å | ||
| 1631 | H | 32.8 | Very low | 33 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 128 | 163.2 | -66.7 | -66.5 | 0 | 0 | 0 | 114.7 | H1629 P1633 T1645 T1646 | H1629-H1631 PolarHBondContact O-CD2 3.36Å; H1629-H1631 PolarHBondContact O-N 2.97Å; H1631-P1633 VanDerWaalsContact O-CD 3.3Å; H1631-P1633 WeakPolarHBondContact O-CD 3.41Å; H1631-T1645 HydrophobicContact CB-CG2 3.8Å; H1631-T1645 VanDerWaalsContact CE1-C 3.47Å; H1631-T1645 PolarHBondContact CE1-O 3.11Å; H1631-T1645 VanDerWaalsContact ND1-C 3.33Å; H1631-T1645 PolarHBondContact ND1-O 2.83Å; H1631-T1646 WeakPolarHBondContact CA-OG1 3.43Å; H1631-T1646 HydrophobicContact CB-CG2 4.5Å; H1631-T1646 PolarHBondContact N-OG1 2.05Å; H1631-T1646 PolarHBondContact ND1-OG1 3.14Å | ||
| 1632 | H | 32.8 | Very low | 33.2 | Very low | 177.6 Ų | 177.6 | 149.6 Ų | 149.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -103.6 | 128.2 | 150.5 | -111 | -68.4 | 0 | 0 | 0 | 112.5 | Q1630 A1634 | Q1630-H1632 PolarHBondContact O-N 3.3Å; Q1630-H1632 VanDerWaalsContact O-N 3.09Å; H1632-A1634 PolarHBondContact O-N 3.16Å | ||
| 1633 | P | 36.5 | Very low | 33 | Very low | 110.6 Ų | 110.6 | 147.1 Ų | 147.1 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | -98.2 | 128.2 | -173.8 | 36.3 | -32.2 | 0 | 0 | 0 | 112.9 | H1631 | H1631-P1633 VanDerWaalsContact O-CD 3.3Å; H1631-P1633 WeakPolarHBondContact O-CD 3.41Å | ||
| 1634 | A | 31.8 | Very low | 32.9 | Very low | 88.8 Ų | 88.8 | 146.7 Ų | 146.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -135.4 | 178.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | H1632 | H1632-A1634 PolarHBondContact O-N 3.16Š| ||
| 1635 | C | 31.7 | Very low | 32.9 | Very low | 131.8 Ų | 131.8 | 144 Ų | 144 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | 43.2 | 50.3 | 162.1 | -60.7 | 0 | 0 | 0 | 0 | 115.4 | S1637 | C1635-S1637 PolarHBondContact O-N 2.72Š| ||
| 1636 | A | 31.2 | Very low | 33 | Very low | 92.2 Ų | 92.2 | 137.8 Ų | 137.8 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -125.7 | 98.6 | 161 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1637 | S | 29.6 | Very low | 32.9 | Very low | 104.8 Ų | 104.8 | 142.9 Ų | 142.9 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -131.3 | 138.6 | 173.1 | -71.5 | 0 | 0 | 0 | 0 | 112.1 | C1635 | C1635-S1637 PolarHBondContact O-N 2.72Š| ||
| 1638 | L | 34.7 | Very low | 32.9 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | 114.5 | 106.8 | 164.3 | -80.1 | 164.3 | 0 | 0 | 0 | 112.9 | G1640 | L1638-G1640 PolarHBondContact O-N 3.48Š| ||
| 1639 | I | 34.2 | Very low | 33 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | trans | -37.7 | 114.5 | 151.4 | -61.2 | 167.8 | 0 | 0 | 0 | 111.8 | ||||
| 1640 | G | 32 | Very low | 33.1 | Very low | 66.4 Ų | 66.4 | 135 Ų | 135 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -153.3 | 118.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1638 | L1638-G1640 PolarHBondContact O-N 3.48Š| ||
| 1641 | K | 33 | Very low | 33.2 | Very low | 179.2 Ų | 179.2 | 133.5 Ų | 133.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -69.1 | 123.3 | 171.9 | -57.2 | -178.5 | -178.8 | -175.6 | 0 | 111.5 | ||||
| 1642 | H | 35 | Very low | 33.2 | Very low | 166.8 Ų | 166.8 | 133.6 Ų | 133.6 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | -153.4 | 132.2 | 124.8 | -116 | -82.1 | 0 | 0 | 0 | 111.7 | |||||
| 1643 | D | 32.4 | Very low | 33.2 | Very low | 134.4 Ų | 134.4 | 130.5 Ų | 130.5 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -84.6 | 145.1 | 164.8 | -63.8 | -66.1 | 0 | 0 | 0 | 112.7 | ||||
| 1644 | A | 34.1 | Very low | 33 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | 156 | 114.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1645 | T | 31.9 | Very low | 33 | Very low | 116.2 Ų | 116.2 | 134.5 Ų | 134.5 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | 98.7 | 137 | 129.9 | -44.9 | 0 | 0 | 0 | 0 | 114.7 | H1631 | H1631-T1645 HydrophobicContact CB-CG2 3.8Å; H1631-T1645 VanDerWaalsContact CE1-C 3.47Å; H1631-T1645 PolarHBondContact CE1-O 3.11Å; H1631-T1645 VanDerWaalsContact ND1-C 3.33Å; H1631-T1645 PolarHBondContact ND1-O 2.83Å | |||
| 1646 | T | 32.7 | Very low | 32.9 | Very low | 103.6 Ų | 103.6 | 133.4 Ų | 133.4 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | 152 | 141.1 | 109.2 | 37.1 | 0 | 0 | 0 | 0 | 115 | H1631 | H1631-T1646 WeakPolarHBondContact CA-OG1 3.43Å; H1631-T1646 HydrophobicContact CB-CG2 4.5Å; H1631-T1646 PolarHBondContact N-OG1 2.05Å; H1631-T1646 PolarHBondContact ND1-OG1 3.14Å | |||
| 1647 | R | 33.6 | Very low | 33 | Very low | 241.4 Ų | 241.4 | 136.3 Ų | 136.3 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | 70.4 | 110.3 | 121.4 | -79.3 | -179.7 | -177.2 | -168.5 | 0.3 | 118.7 | |||||
| 1648 | S | 32.3 | Very low | 32.9 | Very low | 96.6 Ų | 96.6 | 141.4 Ų | 141.4 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | -155.4 | 152.7 | 90.6 | -151.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1649 | T | 34.2 | Very low | 32.7 | Very low | 120.6 Ų | 120.6 | 136.3 Ų | 136.3 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | 174.2 | 151.4 | 132.3 | 25.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1650 | K | 35.1 | Very low | 32.5 | Very low | 166.4 Ų | 166.4 | 133.4 Ų | 133.4 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | cis | 110.7 | 138 | 46 | -119.9 | -164.2 | 156 | -122.6 | 0 | 113.2 | ||||
| 1651 | D | 35 | Very low | 32.4 | Very low | 125.2 Ų | 125.2 | 137.8 Ų | 137.8 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | -168.6 | 160.3 | 60.9 | -96.7 | -35.4 | 0 | 0 | 0 | 112.1 | |||||
| 1652 | Q | 34 | Very low | 32.2 | Very low | 163.8 Ų | 163.8 | 138.3 Ų | 138.3 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -122.2 | 163.2 | 141.6 | -101.4 | -145.5 | -12.2 | 0 | 0 | 113.9 | ||||
| 1653 | P | 33.2 | Very low | 32.2 | Very low | 111.8 Ų | 111.8 | 137.9 Ų | 137.9 | 73% | 0.726 | 74% | 0.742 | S | S | * | * | cis | -116.8 | 166.3 | -26 | 31.3 | -16.6 | 0 | 0 | 0 | 115.9 | ||||
| 1654 | Q | 31.3 | Very low | 32 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | -82.3 | 142.9 | 165.2 | -72.8 | -172.4 | -34.3 | 0 | 0 | 113.4 | T1656 | Q1654-T1656 PolarHBondContact NE2-OG1 3.06Š| ||
| 1655 | P | 32.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | -115 | 155 | 115.5 | 17.7 | -4.1 | 0 | 0 | 0 | 111.9 | I1657 | P1655-I1657 PolarHBondContact O-N 2.89Å; P1655-I1657 VanDerWaalsContact O-N 3.17Å | |||
| 1656 | T | 29 | Very low | 32.1 | Very low | 109.4 Ų | 109.4 | 138.8 Ų | 138.8 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -117.8 | 132.3 | 162.1 | -60 | 0 | 0 | 0 | 0 | 109.2 | Q1654 | Q1654-T1656 PolarHBondContact NE2-OG1 3.06Š| ||
| 1657 | I | 32.3 | Very low | 31.8 | Very low | 153.6 Ų | 153.6 | 143.5 Ų | 143.5 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | -149.7 | 132.5 | 152.8 | -59.8 | 175.8 | 0 | 0 | 0 | 110.4 | P1655 G1659 | P1655-I1657 PolarHBondContact O-N 2.89Å; P1655-I1657 VanDerWaalsContact O-N 3.17Å; I1657-G1659 PolarHBondContact O-N 2.87Å | ||
| 1658 | Y | 29.2 | Very low | 31.9 | Very low | 211.8 Ų | 211.8 | 137.3 Ų | 137.3 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -87 | 133 | 179.3 | -93.1 | -112.4 | 0 | 0 | 0 | 113 | P1341 S1660 | P1341-Y1658 HydrophobicContact CB-CE1 4.14Å; P1341-Y1658 VanDerWaalsContact CB-OH 3.3Å; P1341-Y1658 WeakPolarHBondContact CB-OH 3.27Å; Y1658-S1660 PolarHBondContact O-N 3Å | ||
| 1659 | G | 29.5 | Very low | 31.9 | Very low | 63.2 Ų | 63.2 | 140.1 Ų | 140.1 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | trans | 161.2 | 111.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1657 E1661 | I1657-G1659 PolarHBondContact O-N 2.87Å; G1659-E1661 PolarHBondContact O-N 2.94Å | ||
| 1660 | S | 29.9 | Very low | 31.7 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -100.7 | 99.7 | 174.1 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | Y1658 F1662 | Y1658-S1660 PolarHBondContact O-N 3Å; S1660-F1662 VanDerWaalsContact C-N 3.28Å; S1660-F1662 PolarHBondContact O-N 3.11Å | ||
| 1661 | E | 30.3 | Very low | 31.5 | Very low | 158.2 Ų | 158.2 | 141.7 Ų | 141.7 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | -6.2 | 125.6 | 147.7 | 12.1 | -136.9 | 178.7 | 0 | 0 | 114.7 | G1659 | G1659-E1661 PolarHBondContact O-N 2.94Š| ||
| 1662 | F | 29.3 | Very low | 31.3 | Very low | 189.4 Ų | 189.4 | 141.6 Ų | 141.6 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | 89.8 | 130.6 | 145.7 | -74.8 | -82.7 | 0 | 0 | 0 | 114.1 | S1660 | S1660-F1662 VanDerWaalsContact C-N 3.28Å; S1660-F1662 PolarHBondContact O-N 3.11Å | ||
| 1663 | L | 33.9 | Very low | 31.2 | Very low | 159.8 Ų | 159.8 | 142 Ų | 142 | 84% | 0.837 | 75% | 0.754 | S | S | * | * | trans | -139.1 | 127.6 | 153.2 | -78.1 | 167.6 | 0 | 0 | 0 | 112.5 | T1665 | L1663-T1665 PolarHBondContact O-N 2.81Š| ||
| 1664 | A | 29 | Very low | 31 | Very low | 91 Ų | 91 | 143 Ų | 143 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -33.7 | 123.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1665 | T | 32 | Very low | 31.1 | Very low | 123.6 Ų | 123.6 | 142.5 Ų | 142.5 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -144.9 | 128.2 | 142.8 | 39.4 | 0 | 0 | 0 | 0 | 115 | L1663 | L1663-T1665 PolarHBondContact O-N 2.81Š| ||
| 1666 | N | 34.9 | Very low | 31.1 | Very low | 141.4 Ų | 141.4 | 145.8 Ų | 145.8 | 76% | 0.756 | 76% | 0.762 | S | S | * | * | trans | 34 | 108.8 | 160 | -80.7 | -46.7 | 0 | 0 | 0 | 118.3 | ||||
| 1667 | Y | 28.3 | Very low | 31.4 | Very low | 202.8 Ų | 202.8 | 146.6 Ų | 146.6 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | trans | -17.5 | 144.1 | 142.6 | -85.6 | -88.4 | 0 | 0 | 0 | 116.1 | H1669 | Y1667-H1669 HydrophobicContact CD1-CB 4.36Å; Y1667-H1669 HydrophobicContact CE1-CB 4.33Å | ||
| 1668 | P | 35.4 | Very low | 31.3 | Very low | 110.6 Ų | 110.6 | 144.8 Ų | 144.8 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | -135.1 | 153.7 | 79.5 | 37.6 | -24.7 | 0 | 0 | 0 | 116.5 | I1670 | P1668-I1670 HydrophobicContact CB-CD1 3.93Å; P1668-I1670 HydrophobicContact CB-CG1 4.29Å; P1668-I1670 HydrophobicContact CG-CD1 4.15Å; P1668-I1670 HydrophobicContact CG-CG1 4.02Å | |||
| 1669 | H | 30.9 | Very low | 31.4 | Very low | 155.8 Ų | 155.8 | 138.4 Ų | 138.4 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -70.8 | 149.7 | 163.5 | -92.5 | -86.3 | 0 | 0 | 0 | 111.4 | Y1667 | Y1667-H1669 HydrophobicContact CD1-CB 4.36Å; Y1667-H1669 HydrophobicContact CE1-CB 4.33Å | ||
| 1670 | I | 30.7 | Very low | 31.7 | Very low | 137.6 Ų | 137.6 | 141.3 Ų | 141.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -163 | 110.4 | 159.8 | -59.4 | 147.9 | 0 | 0 | 0 | 112.7 | P1668 T1672 | P1668-I1670 HydrophobicContact CB-CD1 3.93Å; P1668-I1670 HydrophobicContact CB-CG1 4.29Å; P1668-I1670 HydrophobicContact CG-CD1 4.15Å; P1668-I1670 HydrophobicContact CG-CG1 4.02Å; I1670-T1672 HydrophobicContact CG2-CG2 3.95Å; I1670-T1672 PolarHBondContact O-N 3.32Å | ||
| 1671 | F | 30.5 | Very low | 31.8 | Very low | 183.6 Ų | 183.6 | 139.7 Ų | 139.7 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -82.7 | 131.2 | 152.8 | -84.3 | -96 | 0 | 0 | 0 | 111.2 | K1673 | F1671-K1673 PolarHBondContact O-N 3.05Š| ||
| 1672 | T | 30.3 | Very low | 31.9 | Very low | 122.4 Ų | 122.4 | 142.1 Ų | 142.1 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | trans | -104.5 | 103.1 | 166.1 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | I1670 V1674 | I1670-T1672 HydrophobicContact CG2-CG2 3.95Å; I1670-T1672 PolarHBondContact O-N 3.32Å; T1672-V1674 PolarHBondContact O-N 3.01Å; T1672-V1674 VanDerWaalsContact O-N 3.09Å | ||
| 1673 | K | 32 | Very low | 32 | Very low | 171.8 Ų | 171.8 | 138.6 Ų | 138.6 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -49.6 | 112.1 | 125.6 | -74.2 | -176.5 | -173.7 | 170.6 | 0 | 112.8 | F1671 L1675 | F1671-K1673 PolarHBondContact O-N 3.05Å; K1673-L1675 HydrophobicContact CB-CG 4.26Å; K1673-L1675 PolarHBondContact O-N 2.81Å | |||
| 1674 | V | 30.6 | Very low | 32 | Very low | 133.2 Ų | 133.2 | 138.3 Ų | 138.3 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -32.3 | 100.7 | 147.5 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | T1672 K1676 | T1672-V1674 PolarHBondContact O-N 3.01Å; T1672-V1674 VanDerWaalsContact O-N 3.09Å; V1674-K1676 VanDerWaalsContact C-N 3.34Å; V1674-K1676 PolarHBondContact O-N 2.9Å | ||
| 1675 | L | 33.5 | Very low | 32.3 | Very low | 154.2 Ų | 154.2 | 139.9 Ų | 139.9 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -90.8 | 122 | 150.8 | -91.1 | 164.7 | 0 | 0 | 0 | 111.4 | K1673 P1677 | K1673-L1675 HydrophobicContact CB-CG 4.26Å; K1673-L1675 PolarHBondContact O-N 2.81Å; L1675-P1677 HydrophobicContact CD2-CG 4.32Å; L1675-P1677 VanDerWaalsContact O-CD 3.31Å; L1675-P1677 WeakPolarHBondContact O-CD 3.45Å | ||
| 1676 | K | 31.4 | Very low | 32.2 | Very low | 187.6 Ų | 187.6 | 143.5 Ų | 143.5 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -98.8 | 124.4 | 166.8 | -69.4 | -179.2 | -179.6 | 176.4 | 0 | 109.9 | V1674 S1678 | V1674-K1676 VanDerWaalsContact C-N 3.34Å; V1674-K1676 PolarHBondContact O-N 2.9Å; K1676-S1678 VanDerWaalsContact C-N 3.26Å; K1676-S1678 PolarHBondContact O-N 3.16Å; K1676-S1678 VanDerWaalsContact O-N 3.14Å | ||
| 1677 | P | 35.2 | Very low | 32.1 | Very low | 125.4 Ų | 125.4 | 143.4 Ų | 143.4 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -75.9 | 117.6 | 159.6 | 14.9 | -8.3 | 0 | 0 | 0 | 109 | L1675 G1679 | L1675-P1677 HydrophobicContact CD2-CG 4.32Å; L1675-P1677 VanDerWaalsContact O-CD 3.31Å; L1675-P1677 WeakPolarHBondContact O-CD 3.45Å; P1677-G1679 PolarHBondContact O-N 2.96Å; P1677-G1679 VanDerWaalsContact O-N 3.16Å | ||
| 1678 | S | 31.5 | Very low | 32.4 | Very low | 115.8 Ų | 115.8 | 138.9 Ų | 138.9 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -83.7 | 107.5 | 165.4 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | K1676 S1680 | K1676-S1678 VanDerWaalsContact C-N 3.26Å; K1676-S1678 PolarHBondContact O-N 3.16Å; K1676-S1678 VanDerWaalsContact O-N 3.14Å; S1678-S1680 PolarHBondContact O-N 3.21Å | ||
| 1679 | G | 31.4 | Very low | 32.2 | Very low | 78.2 Ų | 78.2 | 138.8 Ų | 138.8 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -55 | 138.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1677 | P1677-G1679 PolarHBondContact O-N 2.96Å; P1677-G1679 VanDerWaalsContact O-N 3.16Å | ||
| 1680 | S | 34.7 | Very low | 32.4 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -151.7 | 140.4 | 155.2 | 65.5 | 0 | 0 | 0 | 0 | 112 | S1678 | S1678-S1680 PolarHBondContact O-N 3.21Š| ||
| 1681 | G | 31.6 | Very low | 32.5 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 141.8 | 126.4 | 24.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1682 | K | 32.2 | Very low | 32.8 | Very low | 207.6 Ų | 207.6 | 140.6 Ų | 140.6 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | 76.3 | 126.3 | 134.4 | -59.1 | -178.2 | 179 | 179.1 | 0 | 116.1 | ||||
| 1683 | S | 32.5 | Very low | 32.9 | Very low | 115.2 Ų | 115.2 | 143.4 Ų | 143.4 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | 127 | 120.5 | 140.1 | 35.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1684 | E | 33.9 | Very low | 33 | Very low | 155.2 Ų | 155.2 | 141 Ų | 141 | 73% | 0.725 | 79% | 0.794 | S | S | * | * | trans | -60.8 | 143.3 | 158.4 | -118.9 | -171.1 | 135.6 | 0 | 0 | 113.7 | R1686 | E1684-R1686 WeakPolarHBondContact OE1-CB 3.25Å; E1684-R1686 WeakPolarHBondContact OE1-CD 3.46Å; E1684-R1686 IonicContact OE1-CZ 3.76Å; E1684-R1686 IonicContact OE1-NH1 2.75Å; E1684-R1686 PolarHBondContact OE1-NH1 2.64Å | ||
| 1685 | P | 35.2 | Very low | 33.2 | Very low | 124.2 Ų | 124.2 | 140.4 Ų | 140.4 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | -119.4 | 111.3 | 120.5 | 30.5 | -18.6 | 0 | 0 | 0 | 113.2 | V1687 | P1685-V1687 PolarHBondContact O-N 3.08Š| |||
| 1686 | R | 30 | Very low | 33.3 | Very low | 199.2 Ų | 199.2 | 138.1 Ų | 138.1 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -34.6 | 118.6 | 147.3 | -170.1 | -169.6 | -171.4 | 121.4 | -6 | 113.7 | E1684 T1688 | E1684-R1686 WeakPolarHBondContact OE1-CB 3.25Å; E1684-R1686 WeakPolarHBondContact OE1-CD 3.46Å; E1684-R1686 IonicContact OE1-CZ 3.76Å; E1684-R1686 IonicContact OE1-NH1 2.75Å; E1684-R1686 PolarHBondContact OE1-NH1 2.64Å; R1686-T1688 HydrophobicContact CG-CG2 4.15Å; R1686-T1688 PolarHBondContact O-N 3.05Å | ||
| 1687 | V | 33.4 | Very low | 33.5 | Very low | 138.4 Ų | 138.4 | 137.9 Ų | 137.9 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -116.4 | 135.8 | 147.9 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | P1685 | P1685-V1687 PolarHBondContact O-N 3.08Š| ||
| 1688 | T | 33.4 | Very low | 33.7 | Very low | 108.6 Ų | 108.6 | 137.3 Ų | 137.3 | 67% | 0.666 | 78% | 0.783 | S | S | * | * | trans | -113 | 144.2 | 177.8 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | R1686 T1690 | R1686-T1688 HydrophobicContact CG-CG2 4.15Å; R1686-T1688 PolarHBondContact O-N 3.05Å; T1688-T1690 VanDerWaalsContact C-N 3.32Å; T1688-T1690 PolarHBondContact O-N 3.16Å; T1688-T1690 WeakPolarHBondContact OG1-CG2 3.12Å | ||
| 1689 | S | 32.3 | Very low | 33.8 | Very low | 109.8 Ų | 109.8 | 137.4 Ų | 137.4 | 77% | 0.768 | 78% | 0.783 | S | S | * | * | trans | 40.3 | 139.5 | 155.9 | -162.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1690 | T | 34 | Very low | 33.9 | Very low | 118.4 Ų | 118.4 | 136.5 Ų | 136.5 | 73% | 0.726 | 77% | 0.774 | S | S | * | * | trans | 179.5 | 147.3 | 155.5 | 54.7 | 0 | 0 | 0 | 0 | 114 | T1688 K1692 | T1688-T1690 VanDerWaalsContact C-N 3.32Å; T1688-T1690 PolarHBondContact O-N 3.16Å; T1688-T1690 WeakPolarHBondContact OG1-CG2 3.12Å; T1690-K1692 PolarHBondContact O-N 3.23Å | ||
| 1691 | K | 33.3 | Very low | 33.9 | Very low | 196.8 Ų | 196.8 | 138.6 Ų | 138.6 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -99.4 | 149.7 | 136.3 | -66.9 | 176.9 | 178.1 | 173.3 | 0 | 112.3 | ||||
| 1692 | K | 36.3 | Very low | 34.1 | Very low | 199.6 Ų | 199.6 | 140.6 Ų | 140.6 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -112.5 | 139 | 147.4 | -69.3 | 178.7 | 179.1 | 177.9 | 0 | 112.4 | T1690 | T1690-K1692 PolarHBondContact O-N 3.23Š| ||
| 1693 | K | 32 | Very low | 34.3 | Very low | 179.2 Ų | 179.2 | 134.1 Ų | 134.1 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -173.4 | 125.8 | 48.6 | -176.4 | -173.1 | 174.8 | -174 | 0 | 109.7 | T1695 S1696 | K1693-T1695 HydrophobicContact CG-CG2 4.04Å; K1693-S1696 VanDerWaalsContact CE-OG 3.23Å; K1693-S1696 WeakPolarHBondContact CE-OG 3.26Å | ||
| 1694 | V | 35.4 | Very low | 34.4 | Very low | 122.6 Ų | 122.6 | 135.3 Ų | 135.3 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -165.1 | 130.6 | 154.7 | 172.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1695 | T | 33.6 | Very low | 34.5 | Very low | 121.4 Ų | 121.4 | 134.9 Ų | 134.9 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | -129.9 | 160.9 | 64.1 | 33.2 | 0 | 0 | 0 | 0 | 114.9 | K1693 | K1693-T1695 HydrophobicContact CG-CG2 4.04Š| |||
| 1696 | S | 35.5 | Very low | 34.6 | Very low | 104.8 Ų | 104.8 | 136.7 Ų | 136.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -163.8 | 153.2 | 149.4 | 46.2 | 0 | 0 | 0 | 0 | 113.2 | K1693 | K1693-S1696 VanDerWaalsContact CE-OG 3.23Å; K1693-S1696 WeakPolarHBondContact CE-OG 3.26Å | ||
| 1697 | K | 36.4 | Very low | 34.8 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -142.9 | 162 | 143.6 | -92 | -169.2 | 174.1 | -171.7 | 0 | 111.1 | ||||
| 1698 | P | 38.5 | Very low | 35 | Very low | 113.2 Ų | 113.2 | 135.3 Ų | 135.3 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | -119.4 | 179.3 | -116.4 | 38 | -28.8 | 0 | 0 | 0 | 114.7 | |||||
| 1699 | S | 34.5 | Very low | 34.9 | Very low | 117.2 Ų | 117.2 | 134.5 Ų | 134.5 | 82% | 0.82 | 77% | 0.769 | S | S | * | * | trans | -177.1 | 153.2 | 166.7 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1700 | G | 34 | Very low | 35 | Very low | 59.6 Ų | 59.6 | 135.6 Ų | 135.6 | 61% | 0.614 | 77% | 0.77 | S | S | * | * | cis | 115 | 137.5 | 2.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1701 | L | 34.5 | Very low | 35 | Very low | 167.4 Ų | 167.4 | 136.4 Ų | 136.4 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | 79.9 | 160.5 | 153.2 | -61.7 | 179.7 | 0 | 0 | 0 | 114.3 | ||||
| 1702 | S | 35.9 | Very low | 35.1 | Very low | 109.8 Ų | 109.8 | 136.6 Ų | 136.6 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | cis | -154.5 | 154.9 | -47.9 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1703 | G | 34.7 | Very low | 35 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | 117.9 | 144.1 | 126 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1704 | D | 36.4 | Very low | 35.1 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | cis | 179.2 | 157.1 | 10.9 | -161.9 | 20.3 | 0 | 0 | 0 | 111.2 | ||||
| 1705 | Q | 35.6 | Very low | 35.1 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | trans | 56.7 | 151.2 | 162.6 | -54.5 | -169 | 55.3 | 0 | 0 | 120.4 | ||||
| 1706 | M | 37.2 | Very low | 35.2 | Very low | 163.6 Ų | 163.6 | 135 Ų | 135 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | 160.2 | 133.4 | 104.5 | -82 | -76.7 | 172.6 | 0 | 0 | 115.3 | |||||
| 1707 | K | 33.9 | Very low | 35.2 | Very low | 193.4 Ų | 193.4 | 135.4 Ų | 135.4 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | -100.5 | 166 | 151.2 | -85.9 | -174.7 | 177.9 | 180 | 0 | 110.2 | ||||
| 1708 | P | 38.4 | Very low | 35.3 | Very low | 114.2 Ų | 114.2 | 132.9 Ų | 132.9 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | cis | -133.5 | -175.6 | 41 | 38.2 | -20.2 | 0 | 0 | 0 | 114.8 | ||||
| 1709 | A | 31.2 | Very low | 35.2 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 101.4 | 162.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1710 | V | 33.7 | Very low | 35.2 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | 171.4 | 129.7 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1711 | M | 33.7 | Very low | 35.3 | Very low | 136.6 Ų | 136.6 | 139.2 Ų | 139.2 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | 51.8 | 132.2 | 83.5 | -88.5 | -153.3 | 72.3 | 0 | 0 | 114.3 | D1713 | M1711-D1713 HydrophobicContact CE-CB 3.99Å; M1711-D1713 VanDerWaalsContact CE-OD2 3.22Å; M1711-D1713 WeakPolarHBondContact CE-OD2 3.33Å | |||
| 1712 | Y | 36.3 | Very low | 35.5 | Very low | 200 Ų | 200 | 138 Ų | 138 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | -166 | 149.3 | 110.9 | -84.9 | -83.8 | 0 | 0 | 0 | 111.6 | F1714 | Y1712-F1714 HydrophobicContact CD1-CD2 4.25Å; Y1712-F1714 AromaticContact CD1-CE2 3.97Å; Y1712-F1714 HydrophobicContact CD1-CE2 3.97Å; Y1712-F1714 HydrophobicContact CE1-CE2 4.36Å | |||
| 1713 | D | 32.7 | Very low | 35.5 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | trans | 176.6 | 142.2 | 163.5 | -132.2 | -25.6 | 0 | 0 | 0 | 112 | M1711 | M1711-D1713 HydrophobicContact CE-CB 3.99Å; M1711-D1713 VanDerWaalsContact CE-OD2 3.22Å; M1711-D1713 WeakPolarHBondContact CE-OD2 3.33Å | ||
| 1714 | F | 35.6 | Very low | 35.6 | Very low | 192.6 Ų | 192.6 | 142.2 Ų | 142.2 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | 166.1 | 131.2 | 163.8 | -82.2 | -70.9 | 0 | 0 | 0 | 111.7 | Y1712 | Y1712-F1714 HydrophobicContact CD1-CD2 4.25Å; Y1712-F1714 AromaticContact CD1-CE2 3.97Å; Y1712-F1714 HydrophobicContact CD1-CE2 3.97Å; Y1712-F1714 HydrophobicContact CE1-CE2 4.36Å | ||
| 1715 | T | 35.3 | Very low | 35.5 | Very low | 102.4 Ų | 102.4 | 143.1 Ų | 143.1 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | trans | -123.3 | 145.7 | -138.3 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | N1717 | T1715-N1717 WeakPolarHBondContact CG2-OD1 3.41Š| ||
| 1716 | E | 35.5 | Very low | 35.5 | Very low | 170.6 Ų | 170.6 | 140.5 Ų | 140.5 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -149.1 | 125.6 | 146.9 | -116.8 | 173.1 | 155.4 | 0 | 0 | 114.4 | ||||
| 1717 | N | 35.3 | Very low | 35.4 | Very low | 114 Ų | 114 | 141 Ų | 141 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | 113 | 136.2 | 103.3 | -86.3 | -40.7 | 0 | 0 | 0 | 117 | T1715 | T1715-N1717 WeakPolarHBondContact CG2-OD1 3.41Š| |||
| 1718 | N | 37.7 | Very low | 35.4 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | 66.5 | 125.5 | 146.6 | -61.4 | -37.4 | 0 | 0 | 0 | 120.3 | ||||
| 1719 | K | 36.5 | Very low | 35.1 | Very low | 172.4 Ų | 172.4 | 140.3 Ų | 140.3 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | 79.2 | 148.6 | 107.6 | -79.7 | 177 | 169.8 | -136 | 0 | 113.6 | |||||
| 1720 | E | 35.5 | Very low | 35.3 | Very low | 153.8 Ų | 153.8 | 144.6 Ų | 144.6 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | cis | -168.5 | 153.8 | 23.6 | -167.7 | 152.9 | 169.8 | 0 | 0 | 113.4 | ||||
| 1721 | S | 36.7 | Very low | 35.3 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | 53.3 | 157.2 | 163.2 | 61.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1722 | D | 37 | Very low | 35.2 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | 110 | 161.2 | 121 | -96.5 | -58.9 | 0 | 0 | 0 | 116.2 | K1724 | D1722-K1724 IonicContact OD1-NZ 2.68Å; D1722-K1724 PolarHBondContact OD1-NZ 2.86Å | |||
| 1723 | E | 36.7 | Very low | 34.9 | Very low | 134.8 Ų | 134.8 | 142.1 Ų | 142.1 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | cis | 167.4 | 155.3 | 33.9 | -121 | -165.8 | 156.1 | 0 | 0 | 115.7 | N2200 | E1723-N2200 PolarHBondContact OE1-ND2 3.44Š| ||
| 1724 | K | 35.8 | Very low | 34.9 | Very low | 135.2 Ų | 135.2 | 141.2 Ų | 141.2 | 59% | 0.588 | 73% | 0.731 | S | S | * | * | trans | 51.5 | 139.1 | 151.2 | -77.9 | 160.3 | -174.6 | 135.2 | 0 | 116.6 | D1722 D2198 N2200 | D1722-K1724 IonicContact OD1-NZ 2.68Å; D1722-K1724 PolarHBondContact OD1-NZ 2.86Å; K1724-D2198 WeakPolarHBondContact CE-OD1 3.11Å; K1724-D2198 WeakPolarHBondContact CE-OD2 3.47Å; K1724-D2198 IonicContact NZ-OD1 2.69Å; K1724-D2198 PolarHBondContact NZ-OD1 3.48Å; K1724-D2198 IonicContact NZ-OD2 3.75Å; K1724-D2198 PolarHBondContact NZ-OD2 2.99Å; K1724-N2200 WeakPolarHBondContact CE-ND2 3.06Å; K1724-N2200 PolarHBondContact NZ-ND2 3.48Å; K1724-N2200 VanDerWaalsContact NZ-ND2 3.14Å | ||
| 1725 | I | 35 | Very low | 34.8 | Very low | 159.4 Ų | 159.4 | 139.1 Ų | 139.1 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | 77.3 | 122.5 | 111.8 | -63.9 | 158.6 | 0 | 0 | 0 | 113.8 | |||||
| 1726 | S | 34.9 | Very low | 34.7 | Very low | 91.4 Ų | 91.4 | 139.3 Ų | 139.3 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | cis | 178.6 | 127.1 | 44.5 | -177.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1727 | K | 35.2 | Very low | 34.4 | Very low | 174.8 Ų | 174.8 | 142.1 Ų | 142.1 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | 79.3 | 110.6 | 129.3 | -74.6 | 171.8 | -169.4 | 157.5 | 0 | 118.6 | |||||
| 1728 | Q | 34.7 | Very low | 34.4 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | trans | 58.6 | 139.7 | 140.1 | -65.8 | 179.5 | -9.1 | 0 | 0 | 117 | ||||
| 1729 | T | 32.8 | Very low | 34.2 | Very low | 115.2 Ų | 115.2 | 141.4 Ų | 141.4 | 71% | 0.707 | 73% | 0.733 | S | S | * | * | cis | -153.7 | 146.7 | 44.6 | -38.9 | 0 | 0 | 0 | 0 | 112.1 | K1731 | T1729-K1731 PolarHBondContact O-N 3.16Š| ||
| 1730 | K | 35.4 | Very low | 34.2 | Very low | 181.6 Ų | 181.6 | 139.7 Ų | 139.7 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | 61.5 | 127.6 | 154.7 | -73.8 | 166 | -176.6 | 176.5 | 0 | 117.8 | E1393 | E1393-K1730 VanDerWaalsContact OE2-CD 3.3Å; E1393-K1730 WeakPolarHBondContact OE2-CD 3.38Å; E1393-K1730 WeakPolarHBondContact OE2-CE 3.44Å; E1393-K1730 IonicContact OE2-NZ 3.05Å | ||
| 1731 | K | 33.5 | Very low | 34.2 | Very low | 196.6 Ų | 196.6 | 142.8 Ų | 142.8 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | trans | -114.5 | 138.2 | 145.3 | -80 | 176.7 | 179.5 | 177.5 | 0 | 114.5 | E1393 T1729 S1733 | E1393-K1731 HydrophobicContact CG-CB 4.49Å; E1393-K1731 VanDerWaalsContact OE1-CB 3.31Å; E1393-K1731 WeakPolarHBondContact OE1-CB 3.46Å; E1393-K1731 WeakPolarHBondContact OE1-CD 3.32Å; T1729-K1731 PolarHBondContact O-N 3.16Å; K1731-S1733 PolarHBondContact O-N 3.24Å | ||
| 1732 | S | 31 | Very low | 34.2 | Very low | 114.2 Ų | 114.2 | 147 Ų | 147 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -122.7 | 144.5 | 148.9 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1733 | S | 29.7 | Very low | 34.3 | Very low | 105.6 Ų | 105.6 | 151.4 Ų | 151.4 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -100.1 | 129 | 172.4 | -168.2 | 0 | 0 | 0 | 0 | 113 | K1731 K1735 | K1731-S1733 PolarHBondContact O-N 3.24Å; S1733-K1735 PolarHBondContact O-N 3.12Å | ||
| 1734 | S | 33.4 | Very low | 34.4 | Very low | 103.8 Ų | 103.8 | 147.6 Ų | 147.6 | 73% | 0.726 | 74% | 0.743 | S | S | * | * | trans | -171.6 | 129.3 | 133.3 | 56.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1735 | K | 33.8 | Very low | 34.8 | Very low | 149 Ų | 149 | 149 Ų | 149 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | trans | 57.1 | 130.5 | 163.8 | -102 | -167.2 | 173.6 | 147.4 | 0 | 115.3 | K1390 S1733 | K1390-K1735 WeakPolarHBondContact O-CE 3.32Å; K1390-K1735 PolarHBondContact O-NZ 3.46Å; S1733-K1735 PolarHBondContact O-N 3.12Å | ||
| 1736 | P | 32.4 | Very low | 35.4 | Very low | 106.2 Ų | 106.2 | 147.1 Ų | 147.1 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | trans | -90.3 | 162.6 | 160.3 | 33.4 | -28.1 | 0 | 0 | 0 | 112.7 | S1738 | P1736-S1738 PolarHBondContact O-N 3.47Å; P1736-S1738 VanDerWaalsContact O-N 3.13Å | ||
| 1737 | Y | 30.1 | Very low | 36.9 | Very low | 229.6 Ų | 229.6 | 146.2 Ų | 146.2 | 90% | 0.9 | 73% | 0.734 | S | S | * | * | trans | -108.7 | 133.6 | 163.8 | -109.5 | -107.8 | 0 | 0 | 0 | 113.5 | ||||
| 1738 | S | 35 | Very low | 38.4 | Very low | 87.4 Ų | 87.4 | 141.2 Ų | 141.2 | 61% | 0.611 | 72% | 0.719 | S | S | * | * | trans | -112.4 | 124.5 | 167.9 | 56 | 0 | 0 | 0 | 0 | 114.1 | P1736 E1740 | P1736-S1738 PolarHBondContact O-N 3.47Å; P1736-S1738 VanDerWaalsContact O-N 3.13Å; S1738-E1740 VanDerWaalsContact C-N 3.33Å; S1738-E1740 PolarHBondContact O-N 3.34Å | ||
| 1739 | D | 32.9 | Very low | 40.2 | Very low | 144.6 Ų | 144.6 | 135.9 Ų | 135.9 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | trans | -99.6 | 94.7 | 157.6 | -168.7 | 16 | 0 | 0 | 0 | 110.9 | R1741 | D1739-R1741 VanDerWaalsContact C-N 3.3Å; D1739-R1741 PolarHBondContact O-N 3.11Å; D1739-R1741 IonicContact OD2-CZ 2.83Å; D1739-R1741 IonicContact OD2-NE 2.72Å; D1739-R1741 PolarHBondContact OD2-NE 2.6Å; D1739-R1741 IonicContact OD2-NH2 3.2Å; D1739-R1741 PolarHBondContact OD2-NH2 2.86Å | ||
| 1740 | E | 36.9 | Very low | 42.1 | Very low | 137.4 Ų | 137.4 | 135.6 Ų | 135.6 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | trans | -143.1 | 92.1 | 163.3 | -107.5 | -143.1 | 132.4 | 0 | 0 | 111.6 | S1738 F1742 R1743 | S1738-E1740 VanDerWaalsContact C-N 3.33Å; S1738-E1740 PolarHBondContact O-N 3.34Å; E1740-F1742 HydrophobicContact CB-CD2 4.26Å; E1740-F1742 PolarHBondContact O-N 3.34Å; E1740-F1742 WeakPolarHBondContact OE1-CD2 3.49Å; E1740-F1742 VanDerWaalsContact OE1-CE2 3.23Å; E1740-F1742 WeakPolarHBondContact OE1-CE2 3.24Å; E1740-F1742 VanDerWaalsContact OE1-CG 3.31Å; E1740-F1742 WeakPolarHBondContact OE1-CG 3.16Å; E1740-F1742 PolarHBondContact OE1-N 3.03Å; E1740-F1742 WeakPolarHBondContact OE2-CE2 3.29Å; E1740-R1743 HydrophobicContact CG-CB 3.73Å; E1740-R1743 HydrophobicContact CG-CG 4.16Å; E1740-R1743 WeakPolarHBondContact OE1-CB 3.42Å; E1740-R1743 WeakPolarHBondContact OE1-CD 3.18Å; E1740-R1743 IonicContact OE1-NH1 2.72Å | ||
| 1741 | R | 35.1 | Very low | 44.2 | Very low | 218.2 Ų | 218.2 | 130.8 Ų | 130.8 | 82% | 0.823 | 67% | 0.673 | S | S | * | * | trans | -141.8 | 56.1 | 160.8 | -104.7 | 178.7 | -109.8 | -165.8 | 1.9 | 113.6 | D1739 R1743 | D1739-R1741 VanDerWaalsContact C-N 3.3Å; D1739-R1741 PolarHBondContact O-N 3.11Å; D1739-R1741 IonicContact OD2-CZ 2.83Å; D1739-R1741 IonicContact OD2-NE 2.72Å; D1739-R1741 PolarHBondContact OD2-NE 2.6Å; D1739-R1741 IonicContact OD2-NH2 3.2Å; D1739-R1741 PolarHBondContact OD2-NH2 2.86Å; R1741-R1743 VanDerWaalsContact C-N 3.29Å; R1741-R1743 PolarHBondContact O-N 3.13Å | ||
| 1742 | F | 36.2 | Very low | 46.4 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 81% | 0.811 | 64% | 0.644 | S | S | * | * | trans | -77 | 92.1 | 159.5 | -85.9 | -85.9 | 0 | 0 | 0 | 112.7 | E1740 G1744 | E1740-F1742 HydrophobicContact CB-CD2 4.26Å; E1740-F1742 PolarHBondContact O-N 3.34Å; E1740-F1742 WeakPolarHBondContact OE1-CD2 3.49Å; E1740-F1742 VanDerWaalsContact OE1-CE2 3.23Å; E1740-F1742 WeakPolarHBondContact OE1-CE2 3.24Å; E1740-F1742 VanDerWaalsContact OE1-CG 3.31Å; E1740-F1742 WeakPolarHBondContact OE1-CG 3.16Å; E1740-F1742 PolarHBondContact OE1-N 3.03Å; E1740-F1742 WeakPolarHBondContact OE2-CE2 3.29Å; F1742-G1744 PolarHBondContact O-N 3.45Å | ||
| 1743 | R | 39.5 | Very low | 48.7 | Very low | 232.2 Ų | 232.2 | 122.4 Ų | 122.4 | 88% | 0.876 | 62% | 0.623 | S | S | * | * | trans | -121.1 | 83.3 | 150.7 | -83.4 | -178.5 | -171.9 | -105.9 | 2.8 | 109 | E1740 R1741 | E1740-R1743 HydrophobicContact CG-CB 3.73Å; E1740-R1743 HydrophobicContact CG-CG 4.16Å; E1740-R1743 WeakPolarHBondContact OE1-CB 3.42Å; E1740-R1743 WeakPolarHBondContact OE1-CD 3.18Å; E1740-R1743 IonicContact OE1-NH1 2.72Å; R1741-R1743 VanDerWaalsContact C-N 3.29Å; R1741-R1743 PolarHBondContact O-N 3.13Å | ||
| 1744 | G | 39.4 | Very low | 51.3 | Low | 55.6 Ų | 55.6 | 124 Ų | 124 | 57% | 0.573 | 62% | 0.617 | S | S | * | * | trans | -113.7 | 148.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | F1742 M1746 | F1742-G1744 PolarHBondContact O-N 3.45Å; G1744-M1746 PolarHBondContact O-N 2.97Å; G1744-M1746 VanDerWaalsContact O-N 3.16Å | ||
| 1745 | D | 43.4 | Very low | 53.9 | Low | 165.2 Ų | 165.2 | 123.3 Ų | 123.3 | 88% | 0.883 | 61% | 0.605 | S | S | * | * | trans | -57.6 | 115.1 | -174.6 | -65.3 | -68.3 | 0 | 0 | 0 | 111.8 | ||||
| 1746 | M | 48.7 | Very low | 56.4 | Low | 117.8 Ų | 117.8 | 116.9 Ų | 116.9 | 58% | 0.58 | 58% | 0.576 | S | S | * | * | trans | -96.2 | 125.4 | 163.5 | -69.8 | -95.2 | 74.7 | 0 | 0 | 107.3 | G1744 E1750 | G1744-M1746 PolarHBondContact O-N 2.97Å; G1744-M1746 VanDerWaalsContact O-N 3.16Å; M1746-E1750 WeakPolarHBondContact CA-OE2 3.37Å; M1746-E1750 HydrophobicContact CE-CG 4.13Å; M1746-E1750 VanDerWaalsContact CE-OE1 3.3Å; M1746-E1750 WeakPolarHBondContact CE-OE1 3.37Å; M1746-E1750 WeakPolarHBondContact CE-OE2 3.37Å | ||
| 1747 | D | 66.1 | Low | 58.9 | Low | 73.8 Ų | 73.8 | 116.4 Ų | 116.4 | 40% | 0.395 | 57% | 0.565 | S | S | . | * | trans | -60.4 | 134.7 | 175.3 | -174.5 | -15.4 | 0 | 0 | 0 | 109.1 | N1749 E1750 T1751 | D1747-N1749 HydrophobicContact CB-CB 4.45Å; D1747-N1749 VanDerWaalsContact CG-CB 3.45Å; D1747-N1749 VanDerWaalsContact CG-ND2 3.33Å; D1747-N1749 PolarHBondContact O-N 3.11Å; D1747-N1749 VanDerWaalsContact O-N 3.15Å; D1747-N1749 VanDerWaalsContact OD1-CB 3.3Å; D1747-N1749 WeakPolarHBondContact OD1-CB 3.39Å; D1747-N1749 PolarHBondContact OD1-N 3.14Å; D1747-N1749 PolarHBondContact OD1-ND2 3.2Å; D1747-N1749 VanDerWaalsContact OD2-CB 3.31Å; D1747-N1749 WeakPolarHBondContact OD2-CB 3.31Å; D1747-N1749 PolarHBondContact OD2-ND2 2.68Å; D1747-E1750 HydrophobicContact CB-CB 4.05Å; D1747-E1750 HydrophobicContact CB-CG 3.91Å; D1747-E1750 WeakPolarHBondContact CB-OE2 3.47Å; D1747-E1750 PolarHBondContact N-OE2 2.98Å; D1747-E1750 PolarHBondContact O-N 3.28Å; D1747-E1750 VanDerWaalsContact O-N 3.09Å; D1747-T1751 WeakPolarHBondContact O-CB 3.4Å; D1747-T1751 PolarHBondContact O-N 3.02Å; D1747-T1751 PolarHBondContact O-OG1 3.24Å; D1747-T1751 VanDerWaalsContact O-OG1 3.09Å | ||
| 1748 | P | 66.2 | Low | 61.6 | Low | 68.2 Ų | 68.2 | 109.4 Ų | 109.4 | 44% | 0.443 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -47.7 | -33 | 165.1 | -30.3 | 36.3 | 0 | 0 | 0 | 113.5 | F1752 Y1772 | P1748-F1752 VanDerWaalsContact O-CB 3.28Å; P1748-F1752 WeakPolarHBondContact O-CB 3.36Å; P1748-F1752 PolarHBondContact O-N 3.04Å; P1748-Y1772 HydrophobicContact CB-CD1 4.27Å; P1748-Y1772 HydrophobicContact CB-CE1 4.12Å |
| 1749 | N | 71.8 | Confident | 64.1 | Low | 67.6 Ų | 67.6 | 108.2 Ų | 108.2 | 36% | 0.361 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.3 | -43 | 173.9 | -72.4 | -40.2 | 0 | 0 | 0 | 112.6 | D1747 T1751 F1752 E1753 | D1747-N1749 HydrophobicContact CB-CB 4.45Å; D1747-N1749 VanDerWaalsContact CG-CB 3.45Å; D1747-N1749 VanDerWaalsContact CG-ND2 3.33Å; D1747-N1749 PolarHBondContact O-N 3.11Å; D1747-N1749 VanDerWaalsContact O-N 3.15Å; D1747-N1749 VanDerWaalsContact OD1-CB 3.3Å; D1747-N1749 WeakPolarHBondContact OD1-CB 3.39Å; D1747-N1749 PolarHBondContact OD1-N 3.14Å; D1747-N1749 PolarHBondContact OD1-ND2 3.2Å; D1747-N1749 VanDerWaalsContact OD2-CB 3.31Å; D1747-N1749 WeakPolarHBondContact OD2-CB 3.31Å; D1747-N1749 PolarHBondContact OD2-ND2 2.68Å; N1749-T1751 VanDerWaalsContact C-N 3.29Å; N1749-T1751 PolarHBondContact O-N 3.08Å; N1749-F1752 CarbonylContact O-C 3.58Å; N1749-F1752 PolarHBondContact O-N 3.23Å; N1749-F1752 VanDerWaalsContact O-N 3.07Å; N1749-E1753 WeakPolarHBondContact O-CB 3.24Å; N1749-E1753 WeakPolarHBondContact O-CG 3.41Å; N1749-E1753 PolarHBondContact O-N 2.86Å |
| 1750 | E | 74.2 | Confident | 66.5 | Low | 108.4 Ų | 108.4 | 105 Ų | 105 | 51% | 0.507 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 175 | -111 | 174.3 | 154 | 0 | 0 | 111.1 | M1746 D1747 F1752 E1753 K1754 | M1746-E1750 WeakPolarHBondContact CA-OE2 3.37Å; M1746-E1750 HydrophobicContact CE-CG 4.13Å; M1746-E1750 VanDerWaalsContact CE-OE1 3.3Å; M1746-E1750 WeakPolarHBondContact CE-OE1 3.37Å; M1746-E1750 WeakPolarHBondContact CE-OE2 3.37Å; D1747-E1750 HydrophobicContact CB-CB 4.05Å; D1747-E1750 HydrophobicContact CB-CG 3.91Å; D1747-E1750 WeakPolarHBondContact CB-OE2 3.47Å; D1747-E1750 PolarHBondContact N-OE2 2.98Å; D1747-E1750 PolarHBondContact O-N 3.28Å; D1747-E1750 VanDerWaalsContact O-N 3.09Å; E1750-F1752 VanDerWaalsContact C-N 3.33Å; E1750-F1752 PolarHBondContact O-N 2.92Å; E1750-E1753 PolarHBondContact O-N 3.26Å; E1750-K1754 VanDerWaalsContact O-CB 3.3Å; E1750-K1754 WeakPolarHBondContact O-CB 3.34Å; E1750-K1754 PolarHBondContact O-N 2.92Å |
| 1751 | T | 78.3 | Confident | 68.7 | Low | 80.8 Ų | 80.8 | 102.9 Ų | 102.9 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.3 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | D1747 N1749 L1755 | D1747-T1751 WeakPolarHBondContact O-CB 3.4Å; D1747-T1751 PolarHBondContact O-N 3.02Å; D1747-T1751 PolarHBondContact O-OG1 3.24Å; D1747-T1751 VanDerWaalsContact O-OG1 3.09Å; N1749-T1751 VanDerWaalsContact C-N 3.29Å; N1749-T1751 PolarHBondContact O-N 3.08Å; T1751-L1755 WeakPolarHBondContact O-CB 3.4Å; T1751-L1755 PolarHBondContact O-N 2.96Å; T1751-L1755 VanDerWaalsContact O-N 3.09Å |
| 1752 | F | 79.4 | Confident | 71 | Confident | 58.8 Ų | 58.8 | 95.6 Ų | 95.6 | 26% | 0.258 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.4 | -42.4 | 178.9 | -170.3 | -115.3 | 0 | 0 | 0 | 112.8 | P1748 N1749 E1750 K1754 L1755 R1756 Y1772 | P1748-F1752 VanDerWaalsContact O-CB 3.28Å; P1748-F1752 WeakPolarHBondContact O-CB 3.36Å; P1748-F1752 PolarHBondContact O-N 3.04Å; N1749-F1752 CarbonylContact O-C 3.58Å; N1749-F1752 PolarHBondContact O-N 3.23Å; N1749-F1752 VanDerWaalsContact O-N 3.07Å; E1750-F1752 VanDerWaalsContact C-N 3.33Å; E1750-F1752 PolarHBondContact O-N 2.92Å; F1752-K1754 VanDerWaalsContact C-N 3.3Å; F1752-K1754 PolarHBondContact O-N 3.23Å; F1752-L1755 CarbonylContact O-C 3.59Å; F1752-L1755 WeakPolarHBondContact O-CB 3.35Å; F1752-L1755 PolarHBondContact O-N 2.94Å; F1752-L1755 VanDerWaalsContact O-N 3.13Å; F1752-R1756 HydrophobicContact CD1-CG 4.27Å; F1752-R1756 VanDerWaalsContact CD1-NH2 3.28Å; F1752-R1756 HydrophobicContact CE1-CG 4.26Å; F1752-R1756 VanDerWaalsContact CE1-CZ 3.44Å; F1752-R1756 VanDerWaalsContact CE1-NH1 3.3Å; F1752-R1756 VanDerWaalsContact CE1-NH2 3.29Å; F1752-R1756 VanDerWaalsContact O-CG 3.29Å; F1752-R1756 WeakPolarHBondContact O-CG 3.3Å; F1752-R1756 PolarHBondContact O-N 3.02Å; F1752-Y1772 HydrophobicContact CB-CD1 4.05Å; F1752-Y1772 HydrophobicContact CB-CD2 4.39Å; F1752-Y1772 HydrophobicContact CB-CE1 4.18Å; F1752-Y1772 HydrophobicContact CB-CG 4.19Å; F1752-Y1772 HydrophobicContact CD1-CD1 4.45Å; F1752-Y1772 AromaticContact CD1-CD2 3.83Å; F1752-Y1772 HydrophobicContact CD1-CD2 3.88Å; F1752-Y1772 HydrophobicContact CD1-CE2 4.48Å; F1752-Y1772 AromaticContact CD1-CG 3.84Å; F1752-Y1772 HydrophobicContact CD1-CG 3.99Å; F1752-Y1772 AromaticContact CD2-CD2 3.66Å; F1752-Y1772 HydrophobicContact CD2-CD2 3.77Å; F1752-Y1772 AromaticContact CD2-CE2 3.74Å; F1752-Y1772 HydrophobicContact CD2-CE2 3.95Å; F1752-Y1772 HydrophobicContact CD2-CG 4.32Å; F1752-Y1772 AromaticContact CE1-CD2 3.8Å; F1752-Y1772 HydrophobicContact CE1-CD2 3.96Å; F1752-Y1772 HydrophobicContact CE1-CG 4.27Å; F1752-Y1772 AromaticContact CE2-CD2 3.77Å; F1752-Y1772 HydrophobicContact CE2-CD2 3.9Å; F1752-Y1772 AromaticContact CE2-CE2 3.76Å; F1752-Y1772 HydrophobicContact CE2-CE2 4.08Å; F1752-Y1772 HydrophobicContact CG-CD1 4.27Å; F1752-Y1772 AromaticContact CG-CD2 3.77Å; F1752-Y1772 HydrophobicContact CG-CD2 3.77Å; F1752-Y1772 HydrophobicContact CG-CE1 4.46Å; F1752-Y1772 AromaticContact CG-CE2 3.97Å; F1752-Y1772 HydrophobicContact CG-CE2 4.15Å; F1752-Y1772 AromaticContact CG-CG 3.7Å; F1752-Y1772 HydrophobicContact CG-CG 4Å; F1752-Y1772 AromaticContact CZ-CD2 3.87Å; F1752-Y1772 HydrophobicContact CZ-CD2 3.98Å; F1752-Y1772 HydrophobicContact CZ-CE2 4.26Å |
| 1753 | E | 80.7 | Confident | 72.9 | Confident | 75.2 Ų | 75.2 | 90.1 Ų | 90.1 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 173.4 | -75.5 | -52.6 | 138.3 | 0 | 0 | 111.9 | N1749 E1750 L1755 R1756 E1757 R1760 | N1749-E1753 WeakPolarHBondContact O-CB 3.24Å; N1749-E1753 WeakPolarHBondContact O-CG 3.41Å; N1749-E1753 PolarHBondContact O-N 2.86Å; E1750-E1753 PolarHBondContact O-N 3.26Å; E1753-L1755 VanDerWaalsContact C-N 3.34Å; E1753-L1755 PolarHBondContact O-N 3.31Å; E1753-R1756 VanDerWaalsContact CD-CD 3.45Å; E1753-R1756 CarbonylContact O-C 3.53Å; E1753-R1756 WeakPolarHBondContact O-CB 3.24Å; E1753-R1756 PolarHBondContact O-N 3.1Å; E1753-R1756 VanDerWaalsContact O-N 3.13Å; E1753-R1756 WeakPolarHBondContact OE1-CD 3.36Å; E1753-R1756 IonicContact OE1-CZ 3.16Å; E1753-R1756 IonicContact OE1-NE 3.36Å; E1753-R1756 IonicContact OE1-NH1 2.87Å; E1753-R1756 PolarHBondContact OE1-NH1 3.14Å; E1753-R1756 IonicContact OE1-NH2 3.27Å; E1753-R1756 PolarHBondContact OE1-NH2 2.92Å; E1753-R1756 VanDerWaalsContact OE2-CD 3.25Å; E1753-R1756 WeakPolarHBondContact OE2-CD 3.39Å; E1753-R1756 IonicContact OE2-CZ 3.63Å; E1753-R1756 IonicContact OE2-NH1 2.7Å; E1753-R1756 PolarHBondContact OE2-NH1 2.9Å; E1753-R1756 IonicContact OE2-NH2 2.74Å; E1753-E1757 WeakPolarHBondContact O-CB 3.4Å; E1753-E1757 PolarHBondContact O-N 3.1Å; E1753-R1760 IonicContact OE2-CZ 2.74Å; E1753-R1760 IonicContact OE2-NH1 3.38Å; E1753-R1760 IonicContact OE2-NH2 2.67Å; E1753-R1760 PolarHBondContact OE2-NH2 3.38Å; E1753-R1760 VanDerWaalsContact OE2-NH2 3.12Å |
| 1754 | K | 84.5 | Confident | 74.9 | Confident | 139 Ų | 139 | 85 Ų | 85 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 171.1 | -173 | 172.8 | -178.8 | 176.9 | 0 | 112 | E1750 F1752 R1756 E1757 D1758 | E1750-K1754 VanDerWaalsContact O-CB 3.3Å; E1750-K1754 WeakPolarHBondContact O-CB 3.34Å; E1750-K1754 PolarHBondContact O-N 2.92Å; F1752-K1754 VanDerWaalsContact C-N 3.3Å; F1752-K1754 PolarHBondContact O-N 3.23Å; K1754-R1756 VanDerWaalsContact C-N 3.31Å; K1754-R1756 PolarHBondContact O-N 3.1Å; K1754-E1757 WeakPolarHBondContact O-CB 3.37Å; K1754-E1757 PolarHBondContact O-N 3.03Å; K1754-E1757 VanDerWaalsContact O-N 3.12Å; K1754-D1758 WeakPolarHBondContact O-CB 3.36Å; K1754-D1758 VanDerWaalsContact O-CG 3.24Å; K1754-D1758 PolarHBondContact O-N 3.13Å |
| 1755 | L | 86.9 | Confident | 77 | Confident | 90 Ų | 90 | 88.8 Ų | 88.8 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 173.5 | -179.7 | 63 | 0 | 0 | 0 | 112.1 | T1751 F1752 E1753 E1757 L1759 | T1751-L1755 WeakPolarHBondContact O-CB 3.4Å; T1751-L1755 PolarHBondContact O-N 2.96Å; T1751-L1755 VanDerWaalsContact O-N 3.09Å; F1752-L1755 CarbonylContact O-C 3.59Å; F1752-L1755 WeakPolarHBondContact O-CB 3.35Å; F1752-L1755 PolarHBondContact O-N 2.94Å; F1752-L1755 VanDerWaalsContact O-N 3.13Å; E1753-L1755 VanDerWaalsContact C-N 3.34Å; E1753-L1755 PolarHBondContact O-N 3.31Å; L1755-E1757 VanDerWaalsContact C-N 3.33Å; L1755-L1759 HydrophobicContact CD1-CD1 4.4Å; L1755-L1759 HydrophobicContact CD1-CG 4.42Å; L1755-L1759 HydrophobicContact CG-CD1 4.21Å; L1755-L1759 WeakPolarHBondContact O-CB 3.42Å; L1755-L1759 WeakPolarHBondContact O-CD1 3.28Å; L1755-L1759 VanDerWaalsContact O-CG 3.25Å; L1755-L1759 WeakPolarHBondContact O-CG 3.3Å; L1755-L1759 PolarHBondContact O-N 3.27Å; L1755-L1759 VanDerWaalsContact O-N 3.09Å |
| 1756 | R | 87.5 | Confident | 78.8 | Confident | 13.4 Ų | 13.4 | 82.9 Ų | 82.9 | 5% | 0.051 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 172.8 | -67.3 | 178 | 145 | 140.9 | 7.5 | 111.6 | F1752 E1753 K1754 L1759 R1760 V1766 D1767 R1770 | F1752-R1756 HydrophobicContact CD1-CG 4.27Å; F1752-R1756 VanDerWaalsContact CD1-NH2 3.28Å; F1752-R1756 HydrophobicContact CE1-CG 4.26Å; F1752-R1756 VanDerWaalsContact CE1-CZ 3.44Å; F1752-R1756 VanDerWaalsContact CE1-NH1 3.3Å; F1752-R1756 VanDerWaalsContact CE1-NH2 3.29Å; F1752-R1756 VanDerWaalsContact O-CG 3.29Å; F1752-R1756 WeakPolarHBondContact O-CG 3.3Å; F1752-R1756 PolarHBondContact O-N 3.02Å; E1753-R1756 VanDerWaalsContact CD-CD 3.45Å; E1753-R1756 CarbonylContact O-C 3.53Å; E1753-R1756 WeakPolarHBondContact O-CB 3.24Å; E1753-R1756 PolarHBondContact O-N 3.1Å; E1753-R1756 VanDerWaalsContact O-N 3.13Å; E1753-R1756 WeakPolarHBondContact OE1-CD 3.36Å; E1753-R1756 IonicContact OE1-CZ 3.16Å; E1753-R1756 IonicContact OE1-NE 3.36Å; E1753-R1756 IonicContact OE1-NH1 2.87Å; E1753-R1756 PolarHBondContact OE1-NH1 3.14Å; E1753-R1756 IonicContact OE1-NH2 3.27Å; E1753-R1756 PolarHBondContact OE1-NH2 2.92Å; E1753-R1756 VanDerWaalsContact OE2-CD 3.25Å; E1753-R1756 WeakPolarHBondContact OE2-CD 3.39Å; E1753-R1756 IonicContact OE2-CZ 3.63Å; E1753-R1756 IonicContact OE2-NH1 2.7Å; E1753-R1756 PolarHBondContact OE2-NH1 2.9Å; E1753-R1756 IonicContact OE2-NH2 2.74Å; K1754-R1756 VanDerWaalsContact C-N 3.31Å; K1754-R1756 PolarHBondContact O-N 3.1Å; R1756-L1759 PolarHBondContact O-N 3.34Å; R1756-R1760 VanDerWaalsContact O-CB 3.29Å; R1756-R1760 WeakPolarHBondContact O-CB 3.39Å; R1756-R1760 VanDerWaalsContact O-CG 3.25Å; R1756-R1760 WeakPolarHBondContact O-CG 3.3Å; R1756-R1760 PolarHBondContact O-N 3.17Å; R1756-R1760 PolarHBondContact O-NE 3.12Å; R1756-V1766 HydrophobicContact CB-CG1 4.13Å; R1756-V1766 HydrophobicContact CG-CG1 3.84Å; R1756-D1767 WeakPolarHBondContact CD-O 3.26Å; R1756-D1767 VanDerWaalsContact CZ-O 3.26Å; R1756-D1767 PolarHBondContact NE-O 3.07Å; R1756-D1767 VanDerWaalsContact NE-O 3.16Å; R1756-D1767 PolarHBondContact NH2-O 3.18Å; R1756-R1770 VanDerWaalsContact CZ-O 3.3Å; R1756-R1770 PolarHBondContact NH1-O 3.02Å; R1756-R1770 PolarHBondContact NH2-O 3.18Å |
| 1757 | E | 83.6 | Confident | 80.2 | Confident | 95.8 Ų | 95.8 | 80.9 Ų | 80.9 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 177.2 | -165.5 | 63.8 | -148.5 | 0 | 0 | 112.1 | E1753 K1754 L1755 L1759 R1760 S1761 | E1753-E1757 WeakPolarHBondContact O-CB 3.4Å; E1753-E1757 PolarHBondContact O-N 3.1Å; K1754-E1757 WeakPolarHBondContact O-CB 3.37Å; K1754-E1757 PolarHBondContact O-N 3.03Å; K1754-E1757 VanDerWaalsContact O-N 3.12Å; L1755-E1757 VanDerWaalsContact C-N 3.33Å; E1757-L1759 VanDerWaalsContact C-N 3.3Å; E1757-L1759 PolarHBondContact O-N 3.06Å; E1757-R1760 PolarHBondContact O-N 3.13Å; E1757-R1760 IonicContact OE1-CZ 3.21Å; E1757-R1760 IonicContact OE1-NH1 3.13Å; E1757-R1760 PolarHBondContact OE1-NH1 2.95Å; E1757-R1760 IonicContact OE1-NH2 2.67Å; E1757-R1760 WeakPolarHBondContact OE2-CD 3.28Å; E1757-R1760 IonicContact OE2-CZ 2.87Å; E1757-R1760 VanDerWaalsContact OE2-CZ 3.27Å; E1757-R1760 IonicContact OE2-NE 3.12Å; E1757-R1760 IonicContact OE2-NH1 2.86Å; E1757-R1760 PolarHBondContact OE2-NH1 3.01Å; E1757-R1760 IonicContact OE2-NH2 2.75Å; E1757-R1760 PolarHBondContact OE2-NH2 3.24Å; E1757-S1761 VanDerWaalsContact O-CB 3.26Å; E1757-S1761 WeakPolarHBondContact O-CB 3.41Å; E1757-S1761 PolarHBondContact O-N 3.07Å; E1757-S1761 PolarHBondContact O-OG 3.24Å |
| 1758 | D | 87.8 | Confident | 80.4 | Confident | 82.6 Ų | 82.6 | 81.3 Ų | 81.3 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 173.4 | -73.5 | -16.1 | 0 | 0 | 0 | 111 | K1754 S1761 A1762 R1902 | K1754-D1758 WeakPolarHBondContact O-CB 3.36Å; K1754-D1758 VanDerWaalsContact O-CG 3.24Å; K1754-D1758 PolarHBondContact O-N 3.13Å; D1758-S1761 PolarHBondContact O-N 3.3Å; D1758-A1762 WeakPolarHBondContact O-CB 3.41Å; D1758-A1762 PolarHBondContact O-N 2.97Å; D1758-A1762 VanDerWaalsContact O-N 3.16Å; D1758-R1902 IonicContact OD2-CZ 2.86Å; D1758-R1902 IonicContact OD2-NH1 3.66Å; D1758-R1902 PolarHBondContact OD2-NH1 3.45Å; D1758-R1902 IonicContact OD2-NH2 2.58Å; D1758-R1902 PolarHBondContact OD2-NH2 2.94Å |
| 1759 | L | 87.4 | Confident | 80.4 | Confident | 62 Ų | 62 | 84.1 Ų | 84.1 | 33% | 0.325 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.7 | -41.8 | 176.3 | -75.5 | 169.5 | 0 | 0 | 0 | 113.1 | L1755 R1756 E1757 S1761 A1762 G1763 F1764 V1766 | L1755-L1759 HydrophobicContact CD1-CD1 4.4Å; L1755-L1759 HydrophobicContact CD1-CG 4.42Å; L1755-L1759 HydrophobicContact CG-CD1 4.21Å; L1755-L1759 WeakPolarHBondContact O-CB 3.42Å; L1755-L1759 WeakPolarHBondContact O-CD1 3.28Å; L1755-L1759 VanDerWaalsContact O-CG 3.25Å; L1755-L1759 WeakPolarHBondContact O-CG 3.3Å; L1755-L1759 PolarHBondContact O-N 3.27Å; L1755-L1759 VanDerWaalsContact O-N 3.09Å; R1756-L1759 PolarHBondContact O-N 3.34Å; E1757-L1759 VanDerWaalsContact C-N 3.3Å; E1757-L1759 PolarHBondContact O-N 3.06Å; L1759-S1761 VanDerWaalsContact C-N 3.3Å; L1759-S1761 PolarHBondContact O-N 3.27Å; L1759-A1762 CarbonylContact O-C 3.52Å; L1759-A1762 WeakPolarHBondContact O-CA 3.38Å; L1759-A1762 PolarHBondContact O-N 3.27Å; L1759-A1762 VanDerWaalsContact O-N 3.12Å; L1759-G1763 PolarHBondContact O-N 3.28Å; L1759-F1764 HydrophobicContact CB-CB 4.35Å; L1759-F1764 HydrophobicContact CD2-CB 4.47Å; L1759-F1764 HydrophobicContact CD2-CD2 3.89Å; L1759-F1764 HydrophobicContact CD2-CE2 4.38Å; L1759-F1764 HydrophobicContact CD2-CG 4.3Å; L1759-F1764 WeakPolarHBondContact O-CB 3.41Å; L1759-F1764 PolarHBondContact O-N 3.24Å; L1759-V1766 HydrophobicContact CB-CG2 3.66Å; L1759-V1766 HydrophobicContact CD1-CG2 4.2Å; L1759-V1766 HydrophobicContact CG-CG2 4.5Å |
| 1760 | R | 83.7 | Confident | 79.9 | Confident | 78.6 Ų | 78.6 | 89.4 Ų | 89.4 | 30% | 0.297 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 172 | -72.2 | 172.4 | -126.7 | 122.7 | -0.1 | 110.6 | E1753 R1756 E1757 A1762 G1763 V1766 | E1753-R1760 IonicContact OE2-CZ 2.74Å; E1753-R1760 IonicContact OE2-NH1 3.38Å; E1753-R1760 IonicContact OE2-NH2 2.67Å; E1753-R1760 PolarHBondContact OE2-NH2 3.38Å; E1753-R1760 VanDerWaalsContact OE2-NH2 3.12Å; R1756-R1760 VanDerWaalsContact O-CB 3.29Å; R1756-R1760 WeakPolarHBondContact O-CB 3.39Å; R1756-R1760 VanDerWaalsContact O-CG 3.25Å; R1756-R1760 WeakPolarHBondContact O-CG 3.3Å; R1756-R1760 PolarHBondContact O-N 3.17Å; R1756-R1760 PolarHBondContact O-NE 3.12Å; E1757-R1760 PolarHBondContact O-N 3.13Å; E1757-R1760 IonicContact OE1-CZ 3.21Å; E1757-R1760 IonicContact OE1-NH1 3.13Å; E1757-R1760 PolarHBondContact OE1-NH1 2.95Å; E1757-R1760 IonicContact OE1-NH2 2.67Å; E1757-R1760 WeakPolarHBondContact OE2-CD 3.28Å; E1757-R1760 IonicContact OE2-CZ 2.87Å; E1757-R1760 VanDerWaalsContact OE2-CZ 3.27Å; E1757-R1760 IonicContact OE2-NE 3.12Å; E1757-R1760 IonicContact OE2-NH1 2.86Å; E1757-R1760 PolarHBondContact OE2-NH1 3.01Å; E1757-R1760 IonicContact OE2-NH2 2.75Å; E1757-R1760 PolarHBondContact OE2-NH2 3.24Å; R1760-A1762 VanDerWaalsContact C-N 3.27Å; R1760-A1762 PolarHBondContact O-N 2.94Å; R1760-G1763 PolarHBondContact O-N 2.99Å; R1760-G1763 VanDerWaalsContact O-N 3.12Å; R1760-V1766 HydrophobicContact CG-CB 4.28Å; R1760-V1766 HydrophobicContact CG-CG2 4.28Å |
| 1761 | S | 82.9 | Confident | 79.1 | Confident | 92.6 Ų | 92.6 | 88.7 Ų | 88.7 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -28 | 175.7 | -60 | 0 | 0 | 0 | 0 | 113.2 | E1757 D1758 L1759 G1763 | E1757-S1761 VanDerWaalsContact O-CB 3.26Å; E1757-S1761 WeakPolarHBondContact O-CB 3.41Å; E1757-S1761 PolarHBondContact O-N 3.07Å; E1757-S1761 PolarHBondContact O-OG 3.24Å; D1758-S1761 PolarHBondContact O-N 3.3Å; L1759-S1761 VanDerWaalsContact C-N 3.3Å; L1759-S1761 PolarHBondContact O-N 3.27Å; S1761-G1763 VanDerWaalsContact C-N 3.31Å; S1761-G1763 PolarHBondContact O-N 3.5Å |
| 1762 | A | 83.7 | Confident | 77.7 | Confident | 65.6 Ų | 65.6 | 89.9 Ų | 89.9 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 8.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1758 L1759 R1760 F1764 | D1758-A1762 WeakPolarHBondContact O-CB 3.41Å; D1758-A1762 PolarHBondContact O-N 2.97Å; D1758-A1762 VanDerWaalsContact O-N 3.16Å; L1759-A1762 CarbonylContact O-C 3.52Å; L1759-A1762 WeakPolarHBondContact O-CA 3.38Å; L1759-A1762 PolarHBondContact O-N 3.27Å; L1759-A1762 VanDerWaalsContact O-N 3.12Å; R1760-A1762 VanDerWaalsContact C-N 3.27Å; R1760-A1762 PolarHBondContact O-N 2.94Å; A1762-F1764 HydrophobicContact CB-CD2 3.91Å; A1762-F1764 HydrophobicContact CB-CE2 4.04Å; A1762-F1764 WeakPolarHBondContact O-CD2 3.27Å; A1762-F1764 PolarHBondContact O-N 3.32Å |
| 1763 | G | 75.3 | Confident | 76.3 | Confident | 68 Ų | 68 | 93.7 Ų | 93.7 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 6.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1759 R1760 S1761 | L1759-G1763 PolarHBondContact O-N 3.28Å; R1760-G1763 PolarHBondContact O-N 2.99Å; R1760-G1763 VanDerWaalsContact O-N 3.12Å; S1761-G1763 VanDerWaalsContact C-N 3.31Å; S1761-G1763 PolarHBondContact O-N 3.5Å |
| 1764 | F | 81 | Confident | 74.4 | Confident | 127 Ų | 127 | 92.8 Ų | 92.8 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | trans | -83.3 | 134.5 | 176.3 | -64.1 | -87.6 | 0 | 0 | 0 | 111.4 | L1759 A1762 V1766 | L1759-F1764 HydrophobicContact CB-CB 4.35Å; L1759-F1764 HydrophobicContact CD2-CB 4.47Å; L1759-F1764 HydrophobicContact CD2-CD2 3.89Å; L1759-F1764 HydrophobicContact CD2-CE2 4.38Å; L1759-F1764 HydrophobicContact CD2-CG 4.3Å; L1759-F1764 WeakPolarHBondContact O-CB 3.41Å; L1759-F1764 PolarHBondContact O-N 3.24Å; A1762-F1764 HydrophobicContact CB-CD2 3.91Å; A1762-F1764 HydrophobicContact CB-CE2 4.04Å; A1762-F1764 WeakPolarHBondContact O-CD2 3.27Å; A1762-F1764 PolarHBondContact O-N 3.32Å; F1764-V1766 HydrophobicContact CB-CG2 4.31Å; F1764-V1766 PolarHBondContact O-N 3.02Å | ||
| 1765 | T | 84.4 | Confident | 72.1 | Confident | 134 Ų | 134 | 92.6 Ų | 92.6 | 82% | 0.822 | 51% | 0.514 | S | S | * | . | trans | -73.9 | 111.8 | 170.2 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1766 | V | 81.2 | Confident | 69.7 | Low | 42 Ų | 42 | 93.8 Ų | 93.8 | 26% | 0.255 | 53% | 0.525 | S | S | . | . | trans | -120.8 | 124 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | R1756 L1759 R1760 F1764 T1768 | R1756-V1766 HydrophobicContact CB-CG1 4.13Å; R1756-V1766 HydrophobicContact CG-CG1 3.84Å; L1759-V1766 HydrophobicContact CB-CG2 3.66Å; L1759-V1766 HydrophobicContact CD1-CG2 4.2Å; L1759-V1766 HydrophobicContact CG-CG2 4.5Å; R1760-V1766 HydrophobicContact CG-CB 4.28Å; R1760-V1766 HydrophobicContact CG-CG2 4.28Å; F1764-V1766 HydrophobicContact CB-CG2 4.31Å; F1764-V1766 PolarHBondContact O-N 3.02Å; V1766-T1768 PolarHBondContact O-N 3.3Å; V1766-T1768 VanDerWaalsContact O-N 3.16Å | ||
| 1767 | D | 78.5 | Confident | 67 | Low | 74.6 Ų | 74.6 | 103.2 Ų | 103.2 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | trans | -56.5 | 122.1 | 175.5 | 178.5 | 11.5 | 0 | 0 | 0 | 111 | R1756 N1769 R1770 | R1756-D1767 WeakPolarHBondContact CD-O 3.26Å; R1756-D1767 VanDerWaalsContact CZ-O 3.26Å; R1756-D1767 PolarHBondContact NE-O 3.07Å; R1756-D1767 VanDerWaalsContact NE-O 3.16Å; R1756-D1767 PolarHBondContact NH2-O 3.18Å; D1767-N1769 WeakPolarHBondContact OD1-CA 3.31Å; D1767-N1769 WeakPolarHBondContact OD1-CB 3.39Å; D1767-N1769 PolarHBondContact OD1-N 2.99Å; D1767-N1769 PolarHBondContact OD1-ND2 3.22Å; D1767-R1770 PolarHBondContact OD1-N 2.88Å; D1767-R1770 VanDerWaalsContact OD2-CB 3.3Å; D1767-R1770 WeakPolarHBondContact OD2-CB 3.32Å | ||
| 1768 | T | 70.4 | Confident | 64.7 | Low | 83.2 Ų | 83.2 | 103.9 Ų | 103.9 | 51% | 0.51 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -84.4 | -17.6 | 177.6 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | V1766 R1770 | V1766-T1768 PolarHBondContact O-N 3.3Å; V1766-T1768 VanDerWaalsContact O-N 3.16Å; T1768-R1770 PolarHBondContact O-N 3.24Å |
| 1769 | N | 64.3 | Low | 62.2 | Low | 126.4 Ų | 126.4 | 109.2 Ų | 109.2 | 68% | 0.676 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -95.5 | -9.7 | -163.8 | -55.9 | -53.9 | 0 | 0 | 0 | 113.1 | D1767 P1771 | D1767-N1769 WeakPolarHBondContact OD1-CA 3.31Å; D1767-N1769 WeakPolarHBondContact OD1-CB 3.39Å; D1767-N1769 PolarHBondContact OD1-N 2.99Å; D1767-N1769 PolarHBondContact OD1-ND2 3.22Å; N1769-P1771 VanDerWaalsContact O-CD 3.25Å; N1769-P1771 WeakPolarHBondContact O-CD 3.31Å |
| 1770 | R | 62.5 | Low | 59.7 | Low | 179.2 Ų | 179.2 | 113.5 Ų | 113.5 | 68% | 0.676 | 62% | 0.624 | S | S | * | * | trans | -92.9 | 110.6 | -179 | -161.6 | 171.2 | -164.7 | -142.2 | 2.4 | 111.4 | R1756 D1767 T1768 | R1756-R1770 VanDerWaalsContact CZ-O 3.3Å; R1756-R1770 PolarHBondContact NH1-O 3.02Å; R1756-R1770 PolarHBondContact NH2-O 3.18Å; D1767-R1770 PolarHBondContact OD1-N 2.88Å; D1767-R1770 VanDerWaalsContact OD2-CB 3.3Å; D1767-R1770 WeakPolarHBondContact OD2-CB 3.32Å; T1768-R1770 PolarHBondContact O-N 3.24Å | ||
| 1771 | P | 56.4 | Low | 57.3 | Low | 94 Ų | 94 | 117.1 Ų | 117.1 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | trans | -66.7 | 152 | 176.8 | 27.7 | -34.7 | 0 | 0 | 0 | 111.6 | N1769 L1773 | N1769-P1771 VanDerWaalsContact O-CD 3.25Å; N1769-P1771 WeakPolarHBondContact O-CD 3.31Å; P1771-L1773 PolarHBondContact O-N 2.98Å; P1771-L1773 VanDerWaalsContact O-N 3.09Å | ||
| 1772 | Y | 49.7 | Very low | 55 | Low | 105 Ų | 105 | 121.9 Ų | 121.9 | 41% | 0.412 | 66% | 0.658 | S | S | . | * | trans | -76.2 | 105.1 | 176.5 | -173.7 | -115.1 | 0 | 0 | 0 | 110.6 | P1748 F1752 S1774 | P1748-Y1772 HydrophobicContact CB-CD1 4.27Å; P1748-Y1772 HydrophobicContact CB-CE1 4.12Å; F1752-Y1772 HydrophobicContact CB-CD1 4.05Å; F1752-Y1772 HydrophobicContact CB-CD2 4.39Å; F1752-Y1772 HydrophobicContact CB-CE1 4.18Å; F1752-Y1772 HydrophobicContact CB-CG 4.19Å; F1752-Y1772 HydrophobicContact CD1-CD1 4.45Å; F1752-Y1772 AromaticContact CD1-CD2 3.83Å; F1752-Y1772 HydrophobicContact CD1-CD2 3.88Å; F1752-Y1772 HydrophobicContact CD1-CE2 4.48Å; F1752-Y1772 AromaticContact CD1-CG 3.84Å; F1752-Y1772 HydrophobicContact CD1-CG 3.99Å; F1752-Y1772 AromaticContact CD2-CD2 3.66Å; F1752-Y1772 HydrophobicContact CD2-CD2 3.77Å; F1752-Y1772 AromaticContact CD2-CE2 3.74Å; F1752-Y1772 HydrophobicContact CD2-CE2 3.95Å; F1752-Y1772 HydrophobicContact CD2-CG 4.32Å; F1752-Y1772 AromaticContact CE1-CD2 3.8Å; F1752-Y1772 HydrophobicContact CE1-CD2 3.96Å; F1752-Y1772 HydrophobicContact CE1-CG 4.27Å; F1752-Y1772 AromaticContact CE2-CD2 3.77Å; F1752-Y1772 HydrophobicContact CE2-CD2 3.9Å; F1752-Y1772 AromaticContact CE2-CE2 3.76Å; F1752-Y1772 HydrophobicContact CE2-CE2 4.08Å; F1752-Y1772 HydrophobicContact CG-CD1 4.27Å; F1752-Y1772 AromaticContact CG-CD2 3.77Å; F1752-Y1772 HydrophobicContact CG-CD2 3.77Å; F1752-Y1772 HydrophobicContact CG-CE1 4.46Å; F1752-Y1772 AromaticContact CG-CE2 3.97Å; F1752-Y1772 HydrophobicContact CG-CE2 4.15Å; F1752-Y1772 AromaticContact CG-CG 3.7Å; F1752-Y1772 HydrophobicContact CG-CG 4Å; F1752-Y1772 AromaticContact CZ-CD2 3.87Å; F1752-Y1772 HydrophobicContact CZ-CD2 3.98Å; F1752-Y1772 HydrophobicContact CZ-CE2 4.26Å; Y1772-S1774 VanDerWaalsContact C-N 3.34Å; Y1772-S1774 PolarHBondContact O-N 3.09Å; Y1772-S1774 VanDerWaalsContact O-N 3.11Å; Y1772-S1774 PolarHBondContact O-OG 2.91Å | ||
| 1773 | L | 49.2 | Very low | 52.6 | Low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | -77.2 | 78.6 | 172.5 | -78.2 | 133.5 | 0 | 0 | 0 | 110.4 | P1771 T1775 | P1771-L1773 PolarHBondContact O-N 2.98Å; P1771-L1773 VanDerWaalsContact O-N 3.09Å; L1773-T1775 VanDerWaalsContact C-N 3.28Å; L1773-T1775 PolarHBondContact O-N 3.13Å; L1773-T1775 PolarHBondContact O-OG1 3.25Å | ||
| 1774 | S | 41.4 | Very low | 50.6 | Low | 55 Ų | 55 | 129.1 Ų | 129.1 | 39% | 0.385 | 67% | 0.672 | S | S | . | * | trans | -65.1 | 96.1 | 171.8 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | Y1772 T1776 | Y1772-S1774 VanDerWaalsContact C-N 3.34Å; Y1772-S1774 PolarHBondContact O-N 3.09Å; Y1772-S1774 VanDerWaalsContact O-N 3.11Å; Y1772-S1774 PolarHBondContact O-OG 2.91Å; S1774-T1776 PolarHBondContact O-N 3.14Å | ||
| 1775 | T | 35.3 | Very low | 48.3 | Very low | 134.8 Ų | 134.8 | 128.6 Ų | 128.6 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | trans | -82.8 | 37 | -179.1 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | L1773 K1777 | L1773-T1775 VanDerWaalsContact C-N 3.28Å; L1773-T1775 PolarHBondContact O-N 3.13Å; L1773-T1775 PolarHBondContact O-OG1 3.25Å; T1775-K1777 PolarHBondContact O-N 3.31Å | ||
| 1776 | T | 37.4 | Very low | 45.8 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | -102.1 | 103.9 | 178.4 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | S1774 S1778 | S1774-T1776 PolarHBondContact O-N 3.14Å; T1776-S1778 VanDerWaalsContact C-N 3.32Å; T1776-S1778 PolarHBondContact O-N 3.24Å | ||
| 1777 | K | 31.4 | Very low | 43.4 | Very low | 211.6 Ų | 211.6 | 130.6 Ų | 130.6 | 92% | 0.92 | 70% | 0.7 | S | S | * | * | trans | -70.4 | 103.8 | -176.9 | -63.7 | -176.3 | 179 | -178.1 | 0 | 112.6 | T1775 K1779 | T1775-K1777 PolarHBondContact O-N 3.31Å; K1777-K1779 PolarHBondContact O-N 2.96Å | ||
| 1778 | S | 34.7 | Very low | 41.2 | Very low | 109.8 Ų | 109.8 | 137.6 Ų | 137.6 | 77% | 0.768 | 72% | 0.722 | S | S | * | * | trans | -117.7 | 113.5 | 157.7 | -174.5 | 0 | 0 | 0 | 0 | 112.9 | T1776 N1780 | T1776-S1778 VanDerWaalsContact C-N 3.32Å; T1776-S1778 PolarHBondContact O-N 3.24Å; S1778-N1780 PolarHBondContact O-N 3.33Å | ||
| 1779 | K | 34.7 | Very low | 39.4 | Very low | 195.6 Ų | 195.6 | 140 Ų | 140 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -43.8 | 105.3 | 159.9 | -72.5 | -178.2 | 176.4 | -179.2 | 0 | 113.5 | K1777 | K1777-K1779 PolarHBondContact O-N 2.96Š| ||
| 1780 | N | 36.5 | Very low | 38 | Very low | 150.8 Ų | 150.8 | 142.4 Ų | 142.4 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -158.2 | 127.1 | 132.8 | -110.4 | -26 | 0 | 0 | 0 | 112.2 | S1778 K1782 | S1778-N1780 PolarHBondContact O-N 3.33Å; N1780-K1782 PolarHBondContact O-N 2.96Å | ||
| 1781 | N | 32 | Very low | 36.6 | Very low | 154.4 Ų | 154.4 | 141 Ų | 141 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -84.3 | 110.9 | -174.6 | -117.4 | 7.5 | 0 | 0 | 0 | 112.8 | ||||
| 1782 | K | 35.7 | Very low | 35.7 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | -152.6 | 115.2 | 141.3 | -93.5 | 176.3 | -178.4 | 178.4 | 0 | 110 | N1780 P1784 | N1780-K1782 PolarHBondContact O-N 2.96Å; K1782-P1784 WeakPolarHBondContact O-CD 3.41Å | ||
| 1783 | Q | 33 | Very low | 34.9 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -85.4 | 145.9 | 172 | -136.1 | -170.2 | -18 | 0 | 0 | 110 | T1785 | Q1783-T1785 VanDerWaalsContact C-N 3.3Å; Q1783-T1785 WeakPolarHBondContact CB-OG1 3.36Å; Q1783-T1785 PolarHBondContact O-N 3.44Å; Q1783-T1785 PolarHBondContact OE1-OG1 3.01Å | ||
| 1784 | P | 33.4 | Very low | 34.3 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -89.7 | 154.7 | 157.1 | 18.7 | -4.8 | 0 | 0 | 0 | 110.3 | K1782 D1786 | K1782-P1784 WeakPolarHBondContact O-CD 3.41Å; P1784-D1786 PolarHBondContact O-N 2.97Å | ||
| 1785 | T | 31.2 | Very low | 34 | Very low | 116.8 Ų | 116.8 | 150.5 Ų | 150.5 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -110 | 128.9 | 167.8 | -42.7 | 0 | 0 | 0 | 0 | 110.4 | Q1783 | Q1783-T1785 VanDerWaalsContact C-N 3.3Å; Q1783-T1785 WeakPolarHBondContact CB-OG1 3.36Å; Q1783-T1785 PolarHBondContact O-N 3.44Å; Q1783-T1785 PolarHBondContact OE1-OG1 3.01Å | ||
| 1786 | D | 32.9 | Very low | 33.8 | Very low | 151.8 Ų | 151.8 | 147.4 Ų | 147.4 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -25.3 | 136.4 | 169.7 | -76.6 | -44.5 | 0 | 0 | 0 | 116.2 | P1784 | P1784-D1786 PolarHBondContact O-N 2.97Š| ||
| 1787 | G | 31.1 | Very low | 33.8 | Very low | 67.2 Ų | 67.2 | 148.9 Ų | 148.9 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | trans | -148.4 | 101.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1789 | G1787-V1789 PolarHBondContact O-N 3.27Š| ||
| 1788 | Y | 32.1 | Very low | 34 | Very low | 221.6 Ų | 221.6 | 147.1 Ų | 147.1 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -92.7 | 105.4 | 167.9 | -104.1 | -96.7 | 0 | 0 | 0 | 113.1 | Q1790 | Y1788-Q1790 PolarHBondContact O-N 3.19Å; Y1788-Q1790 VanDerWaalsContact O-N 3.11Å | ||
| 1789 | V | 32.6 | Very low | 33.9 | Very low | 132.4 Ų | 132.4 | 147.8 Ų | 147.8 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -69.2 | 123.3 | 146.2 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | G1787 E1791 | G1787-V1789 PolarHBondContact O-N 3.27Å; V1789-E1791 HydrophobicContact CG1-CB 3.9Å; V1789-E1791 PolarHBondContact O-N 3.36Å | ||
| 1790 | Q | 33.9 | Very low | 33.9 | Very low | 177.8 Ų | 177.8 | 146.8 Ų | 146.8 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -106.2 | 122.7 | 161.3 | -131.2 | 173.2 | 52.2 | 0 | 0 | 111.8 | Y1788 | Y1788-Q1790 PolarHBondContact O-N 3.19Å; Y1788-Q1790 VanDerWaalsContact O-N 3.11Å | ||
| 1791 | E | 34.2 | Very low | 33.8 | Very low | 150.2 Ų | 150.2 | 143.4 Ų | 143.4 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -97.8 | 133.3 | 167.3 | -133.6 | -167.5 | -162.1 | 0 | 0 | 109.8 | V1789 K1793 | V1789-E1791 HydrophobicContact CG1-CB 3.9Å; V1789-E1791 PolarHBondContact O-N 3.36Å; E1791-K1793 VanDerWaalsContact C-N 3.31Å; E1791-K1793 HydrophobicContact CB-CG 4.1Å; E1791-K1793 PolarHBondContact O-N 3.1Å; E1791-K1793 IonicContact OE1-NZ 2.64Å; E1791-K1793 PolarHBondContact OE1-NZ 3.1Å; E1791-K1793 WeakPolarHBondContact OE2-CE 3.46Å; E1791-K1793 WeakPolarHBondContact OE2-CG 3.23Å; E1791-K1793 IonicContact OE2-NZ 3.11Å; E1791-K1793 PolarHBondContact OE2-NZ 2.99Å | ||
| 1792 | P | 37 | Very low | 33.9 | Very low | 124.6 Ų | 124.6 | 144.4 Ų | 144.4 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 100.6 | 178.8 | 32.1 | -32.4 | 0 | 0 | 0 | 112.5 | K1794 | P1792-K1794 PolarHBondContact O-N 3.39Š| ||
| 1793 | K | 34.1 | Very low | 34 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -72.9 | 118.1 | 175.5 | -69.5 | -178.5 | 177.1 | 162.2 | 0 | 112.4 | E1791 A1795 | E1791-K1793 VanDerWaalsContact C-N 3.31Å; E1791-K1793 HydrophobicContact CB-CG 4.1Å; E1791-K1793 PolarHBondContact O-N 3.1Å; E1791-K1793 IonicContact OE1-NZ 2.64Å; E1791-K1793 PolarHBondContact OE1-NZ 3.1Å; E1791-K1793 WeakPolarHBondContact OE2-CE 3.46Å; E1791-K1793 WeakPolarHBondContact OE2-CG 3.23Å; E1791-K1793 IonicContact OE2-NZ 3.11Å; E1791-K1793 PolarHBondContact OE2-NZ 2.99Å; K1793-A1795 PolarHBondContact O-N 3.37Å | ||
| 1794 | K | 35.7 | Very low | 34 | Very low | 191.2 Ų | 191.2 | 141.9 Ų | 141.9 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -77.7 | 130 | 152.7 | -75.3 | -170.8 | 173.5 | -176.9 | 0 | 112.9 | P1792 K2194 | P1792-K1794 PolarHBondContact O-N 3.39Å; K1794-K2194 HydrophobicContact CB-CD 4.23Å; K1794-K2194 HydrophobicContact CD-CD 3.91Å; K1794-K2194 HydrophobicContact CD-CG 4.24Å; K1794-K2194 HydrophobicContact CG-CD 3.98Å; K1794-K2194 HydrophobicContact CG-CG 4.14Å | ||
| 1795 | A | 34.5 | Very low | 34.2 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -81.5 | 149.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1793 | K1793-A1795 PolarHBondContact O-N 3.37Š| ||
| 1796 | G | 32.4 | Very low | 34.4 | Very low | 71.4 Ų | 71.4 | 145.8 Ų | 145.8 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | 137.4 | 132.2 | 28.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1797 | D | 36.1 | Very low | 34.3 | Very low | 145.6 Ų | 145.6 | 145.8 Ų | 145.8 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -142.1 | 157.8 | 135.8 | -132.5 | -10.4 | 0 | 0 | 0 | 116.7 | ||||
| 1798 | K | 35.9 | Very low | 34.5 | Very low | 174.2 Ų | 174.2 | 149.7 Ų | 149.7 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -25.7 | 137.9 | 165.1 | -61 | 167.9 | -173.8 | 127.9 | 0 | 116.5 | ||||
| 1799 | T | 33.8 | Very low | 34.4 | Very low | 124.6 Ų | 124.6 | 145.5 Ų | 145.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | 168.6 | 134.2 | 113.9 | -54.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1800 | H | 34.7 | Very low | 34.7 | Very low | 174.8 Ų | 174.8 | 145.5 Ų | 145.5 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | trans | 115.8 | 145.9 | 152.6 | -102.9 | 28 | 0 | 0 | 0 | 115.8 | ||||
| 1801 | S | 32.9 | Very low | 34.8 | Very low | 78.8 Ų | 78.8 | 142.2 Ų | 142.2 | 55% | 0.551 | 77% | 0.765 | S | S | * | * | 94.8 | 134.5 | 79.8 | 45.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1802 | Q | 35 | Very low | 34.7 | Very low | 176.2 Ų | 176.2 | 142.1 Ų | 142.1 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | 49 | 127.5 | 131.2 | -58.6 | -175.5 | 31.7 | 0 | 0 | 117.5 | ||||
| 1803 | S | 36.7 | Very low | 34.6 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -179.6 | 149.9 | 88.3 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1804 | K | 34.4 | Very low | 34.6 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -119.5 | 160.8 | 147.3 | -83.4 | -171.4 | 175.6 | -179.8 | 0 | 110.2 | ||||
| 1805 | P | 36.7 | Very low | 34.5 | Very low | 115.8 Ų | 115.8 | 142.2 Ų | 142.2 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -124.3 | 179 | -150.5 | 34.7 | -20.7 | 0 | 0 | 0 | 114.8 | ||||
| 1806 | K | 35.1 | Very low | 34.4 | Very low | 192.8 Ų | 192.8 | 143 Ų | 143 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -170.2 | 146.8 | 150.1 | -91.8 | 171.1 | 179.1 | -164 | 0 | 112.4 | ||||
| 1807 | Q | 30.9 | Very low | 34.3 | Very low | 153.2 Ų | 153.2 | 148 Ų | 148 | 72% | 0.716 | 77% | 0.766 | S | S | * | * | cis | -144.2 | 138.7 | 44.9 | -165.3 | -179.7 | -20.4 | 0 | 0 | 110.1 | D1809 | Q1807-D1809 PolarHBondContact NE2-OD2 3.43Š| ||
| 1808 | I | 35.1 | Very low | 34.4 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -157 | 127 | 156.7 | -64.1 | 173.1 | 0 | 0 | 0 | 110.8 | V1810 | I1808-V1810 HydrophobicContact CG2-CG2 4.39Š| ||
| 1809 | D | 30.5 | Very low | 34.2 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | -108.9 | 151.7 | 177.1 | -127.6 | -30.7 | 0 | 0 | 0 | 111.6 | Q1807 | Q1807-D1809 PolarHBondContact NE2-OD2 3.43Š| ||
| 1810 | V | 38.5 | Very low | 34 | Very low | 132.6 Ų | 132.6 | 148.3 Ų | 148.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -160.4 | 124.5 | 167.1 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | I1808 | I1808-V1810 HydrophobicContact CG2-CG2 4.39Š| ||
| 1811 | T | 36.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | -84.5 | 147.3 | 174.1 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1812 | N | 33 | Very low | 33.9 | Very low | 148.2 Ų | 148.2 | 150.1 Ų | 150.1 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | 83.2 | 135.8 | 126.8 | -75 | -7 | 0 | 0 | 0 | 116.1 | |||||
| 1813 | D | 35.4 | Very low | 33.7 | Very low | 138.8 Ų | 138.8 | 148.9 Ų | 148.9 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | -153.8 | 172.3 | 86.6 | -137.5 | -45.7 | 0 | 0 | 0 | 114.7 | |||||
| 1814 | R | 32.5 | Very low | 33.6 | Very low | 220.4 Ų | 220.4 | 150.4 Ų | 150.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -76.9 | 122.5 | 177.9 | -76.1 | 166.1 | 164.4 | 178.6 | -4.7 | 115.5 | V1816 | R1814-V1816 HydrophobicContact CB-CG2 3.73Å; R1814-V1816 PolarHBondContact O-N 3.03Å | ||
| 1815 | V | 33.4 | Very low | 33.4 | Very low | 136.6 Ų | 136.6 | 146.5 Ų | 146.5 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -134 | 131.6 | 142.4 | 170.7 | 0 | 0 | 0 | 0 | 112.5 | F1817 | V1815-F1817 HydrophobicContact CG1-CD2 4.14Å; V1815-F1817 HydrophobicContact CG1-CE2 4.01Å | ||
| 1816 | V | 33.2 | Very low | 33.1 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -127.1 | 133.5 | 171.6 | 177.6 | 0 | 0 | 0 | 0 | 115.9 | R1814 P1818 | R1814-V1816 HydrophobicContact CB-CG2 3.73Å; R1814-V1816 PolarHBondContact O-N 3.03Å; V1816-P1818 WeakPolarHBondContact O-CD 3.48Å | ||
| 1817 | F | 31.1 | Very low | 32.9 | Very low | 175.4 Ų | 175.4 | 142.1 Ų | 142.1 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -42.4 | 146.4 | 170.9 | -74.1 | -90.8 | 0 | 0 | 0 | 115.1 | V1815 | V1815-F1817 HydrophobicContact CG1-CD2 4.14Å; V1815-F1817 HydrophobicContact CG1-CE2 4.01Å | ||
| 1818 | P | 36.9 | Very low | 32.9 | Very low | 100.8 Ų | 100.8 | 140.9 Ų | 140.9 | 66% | 0.655 | 76% | 0.758 | S | S | * | * | -119.5 | 136.5 | 127.9 | 35.8 | -27 | 0 | 0 | 0 | 113.1 | V1816 Y1820 | V1816-P1818 WeakPolarHBondContact O-CD 3.48Å; P1818-Y1820 VanDerWaalsContact C-N 3.27Å; P1818-Y1820 HydrophobicContact CB-CD2 4.12Å; P1818-Y1820 PolarHBondContact O-N 2.85Å | |||
| 1819 | N | 33 | Very low | 32.7 | Very low | 138.4 Ų | 138.4 | 140.1 Ų | 140.1 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -79 | 126.2 | 157.5 | -79.5 | -34.6 | 0 | 0 | 0 | 112.3 | ||||
| 1820 | Y | 29.2 | Very low | 32.7 | Very low | 211.4 Ų | 211.4 | 139.3 Ų | 139.3 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -133.4 | 127.9 | 150.3 | -85.7 | -85 | 0 | 0 | 0 | 112.4 | P1818 K1822 | P1818-Y1820 VanDerWaalsContact C-N 3.27Å; P1818-Y1820 HydrophobicContact CB-CD2 4.12Å; P1818-Y1820 PolarHBondContact O-N 2.85Å; Y1820-K1822 PolarHBondContact O-N 3.01Å | ||
| 1821 | S | 33.1 | Very low | 32.3 | Very low | 101.4 Ų | 101.4 | 139.2 Ų | 139.2 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | -129.7 | 130 | 167.2 | -75.1 | 0 | 0 | 0 | 0 | 111.5 | L1823 | S1821-L1823 VanDerWaalsContact C-N 3.32Å; S1821-L1823 PolarHBondContact O-N 3.49Å | ||
| 1822 | K | 31.7 | Very low | 32 | Very low | 189.4 Ų | 189.4 | 139.9 Ų | 139.9 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | 10.6 | 109.7 | 160.1 | -65.9 | 179.4 | 177.2 | -177.6 | 0 | 113.1 | Y1820 I1824 | Y1820-K1822 PolarHBondContact O-N 3.01Å; K1822-I1824 HydrophobicContact CB-CD1 4.38Å; K1822-I1824 HydrophobicContact CB-CG1 4.23Å; K1822-I1824 HydrophobicContact CD-CD1 3.79Å; K1822-I1824 HydrophobicContact CD-CG1 4.49Å; K1822-I1824 HydrophobicContact CG-CD1 4.21Å; K1822-I1824 HydrophobicContact CG-CG1 4.39Å | ||
| 1823 | L | 31.9 | Very low | 31.8 | Very low | 152.2 Ų | 152.2 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | -126.2 | 115.6 | 105.6 | -94.7 | 168 | 0 | 0 | 0 | 109.7 | S1821 | S1821-L1823 VanDerWaalsContact C-N 3.32Å; S1821-L1823 PolarHBondContact O-N 3.49Å | |||
| 1824 | I | 33.1 | Very low | 31.6 | Very low | 148.4 Ų | 148.4 | 137.8 Ų | 137.8 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -117.7 | 119.5 | 165.5 | -67 | 176.5 | 0 | 0 | 0 | 106.8 | K1822 S1826 | K1822-I1824 HydrophobicContact CB-CD1 4.38Å; K1822-I1824 HydrophobicContact CB-CG1 4.23Å; K1822-I1824 HydrophobicContact CD-CD1 3.79Å; K1822-I1824 HydrophobicContact CD-CG1 4.49Å; K1822-I1824 HydrophobicContact CG-CD1 4.21Å; K1822-I1824 HydrophobicContact CG-CG1 4.39Å; I1824-S1826 VanDerWaalsContact CG2-OG 3.31Å; I1824-S1826 WeakPolarHBondContact CG2-OG 3.4Å | ||
| 1825 | T | 31.5 | Very low | 31.4 | Very low | 114.6 Ų | 114.6 | 133.2 Ų | 133.2 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -128.9 | 135.5 | 171.9 | 4.2 | 0 | 0 | 0 | 0 | 109.2 | S1827 | T1825-S1827 PolarHBondContact O-N 3.49Å; T1825-S1827 VanDerWaalsContact O-N 3.15Å | ||
| 1826 | S | 29.5 | Very low | 31.3 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -134.3 | 135.2 | 40.4 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | I1824 | I1824-S1826 VanDerWaalsContact CG2-OG 3.31Å; I1824-S1826 WeakPolarHBondContact CG2-OG 3.4Å | ||
| 1827 | S | 30.3 | Very low | 31.2 | Very low | 108.6 Ų | 108.6 | 132 Ų | 132 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -111.7 | 125 | 155.8 | -49.9 | 0 | 0 | 0 | 0 | 113.9 | T1825 T1829 | T1825-S1827 PolarHBondContact O-N 3.49Å; T1825-S1827 VanDerWaalsContact O-N 3.15Å; S1827-T1829 PolarHBondContact O-N 2.66Å | ||
| 1828 | T | 30.8 | Very low | 31.2 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -46 | 130 | 159.6 | 49.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1829 | T | 32.6 | Very low | 31.1 | Very low | 132.8 Ų | 132.8 | 131.4 Ų | 131.4 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -179.6 | 136.7 | 150.4 | 41.1 | 0 | 0 | 0 | 0 | 113 | S1827 | S1827-T1829 PolarHBondContact O-N 2.66Š| ||
| 1830 | S | 29.5 | Very low | 31.1 | Very low | 115.4 Ų | 115.4 | 129.3 Ų | 129.3 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -120 | 134.2 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1831 | T | 30.5 | Very low | 31.2 | Very low | 130.4 Ų | 130.4 | 124.1 Ų | 124.1 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -141.9 | 110.8 | 163.6 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1832 | T | 30.2 | Very low | 31.3 | Very low | 125.2 Ų | 125.2 | 122.8 Ų | 122.8 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | -151.7 | 117.6 | 142.8 | -40.8 | 0 | 0 | 0 | 0 | 114.8 | T1834 | T1832-T1834 PolarHBondContact O-N 3.2Š| ||
| 1833 | T | 29 | Very low | 31.4 | Very low | 115.4 Ų | 115.4 | 119 Ų | 119 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | 8.3 | 126.8 | 152.9 | -5.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1834 | T | 30.1 | Very low | 31.5 | Very low | 127.2 Ų | 127.2 | 118.2 Ų | 118.2 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 173.5 | 137.5 | 140.3 | 43.5 | 0 | 0 | 0 | 0 | 114.8 | T1832 | T1832-T1834 PolarHBondContact O-N 3.2Š| ||
| 1835 | T | 29.4 | Very low | 31.6 | Very low | 123.8 Ų | 123.8 | 116.1 Ų | 116.1 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -103.9 | 149.1 | 142 | 2.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1836 | S | 29.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -167.1 | 122.2 | 153.8 | -30.3 | 0 | 0 | 0 | 0 | 112.7 | T1838 | S1836-T1838 PolarHBondContact O-N 3.31Š| ||
| 1837 | T | 31.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | 167.7 | 130.8 | 91.9 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | V1839 | T1837-V1839 PolarHBondContact O-N 2.89Š| |||
| 1838 | T | 31.9 | Very low | 31.8 | Very low | 128.4 Ų | 128.4 | 119.4 Ų | 119.4 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | 57.1 | 144.2 | 172.7 | 57.6 | 0 | 0 | 0 | 0 | 115.7 | S1836 | S1836-T1838 PolarHBondContact O-N 3.31Š| ||
| 1839 | V | 34 | Very low | 31.9 | Very low | 133.6 Ų | 133.6 | 119.5 Ų | 119.5 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | cis | -140.8 | 157.3 | 41.1 | -129.1 | 0 | 0 | 0 | 0 | 109.6 | T1837 | T1837-V1839 PolarHBondContact O-N 2.89Š| ||
| 1840 | A | 32.7 | Very low | 31.7 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | 7.6 | 159.9 | 127.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1841 | A | 32.4 | Very low | 31.8 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | cis | -139.5 | 165.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1842 | G | 34.1 | Very low | 31.7 | Very low | 73.4 Ų | 73.4 | 123.1 Ų | 123.1 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 116.1 | 143.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1843 | S | 34.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | 157.5 | 118.4 | 13.4 | 140.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1844 | V | 33.9 | Very low | 31.9 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | 108.1 | 141.9 | 119.4 | 166.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1845 | P | 36.5 | Very low | 32.2 | Very low | 106.2 Ų | 106.2 | 123.1 Ų | 123.1 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | -116.3 | -178.8 | -134.4 | 40.3 | -29.9 | 0 | 0 | 0 | 114.8 | ||||
| 1846 | S | 31 | Very low | 32.2 | Very low | 101.8 Ų | 101.8 | 125.1 Ų | 125.1 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | 62.5 | 129.2 | 144.2 | 57 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1847 | E | 34.3 | Very low | 32.3 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | 95.2 | 160.7 | 134.2 | -88 | 175 | 177.6 | 0 | 0 | 115.3 | ||||
| 1848 | S | 29.5 | Very low | 32.3 | Very low | 103.6 Ų | 103.6 | 128.9 Ų | 128.9 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -141 | 153.4 | -160.3 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1849 | T | 31.7 | Very low | 32.2 | Very low | 130.4 Ų | 130.4 | 129.9 Ų | 129.9 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 122.6 | 134.3 | 147.1 | -37.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1850 | K | 29.7 | Very low | 32 | Very low | 192.8 Ų | 192.8 | 127.2 Ų | 127.2 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -53.9 | 130.3 | 166.6 | -63 | 174.2 | 178.3 | 176.2 | 0 | 116.2 | ||||
| 1851 | S | 30.5 | Very low | 31.7 | Very low | 99.4 Ų | 99.4 | 129 Ų | 129 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 103.4 | 139.9 | 142 | 63.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1852 | N | 28.5 | Very low | 31.7 | Very low | 161.2 Ų | 161.2 | 129 Ų | 129 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | 88.6 | 124.7 | 80.6 | -86.8 | 11.7 | 0 | 0 | 0 | 114.2 | |||||
| 1853 | A | 31.8 | Very low | 31.5 | Very low | 86.4 Ų | 86.4 | 131.6 Ų | 131.6 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | 159.3 | 148.1 | 158 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1855 | A1853-E1855 PolarHBondContact O-N 3.49Š| ||
| 1854 | V | 32.6 | Very low | 31.5 | Very low | 118.2 Ų | 118.2 | 129.5 Ų | 129.5 | 72% | 0.716 | 76% | 0.758 | S | S | * | * | cis | 67.6 | 130.1 | 40.9 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1855 | E | 35.3 | Very low | 31.4 | Very low | 164.8 Ų | 164.8 | 132.8 Ų | 132.8 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 162 | 148.7 | 120.4 | -103.5 | 136.7 | -141.8 | 0 | 0 | 110.7 | A1853 | A1853-E1855 PolarHBondContact O-N 3.49Š| |||
| 1856 | E | 31 | Very low | 31.3 | Very low | 164.8 Ų | 164.8 | 134.1 Ų | 134.1 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | 100.7 | 168.7 | 55.3 | -113.9 | 178.8 | -176.9 | 0 | 0 | 111.9 | |||||
| 1857 | I | 31.4 | Very low | 31.5 | Very low | 137.8 Ų | 137.8 | 134.4 Ų | 134.4 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | 76.7 | 107.8 | 124.5 | -57.7 | 169.3 | 0 | 0 | 0 | 113.4 | L1859 | I1857-L1859 HydrophobicContact CG2-CB 4.17Å; I1857-L1859 HydrophobicContact CG2-CD1 3.92Å; I1857-L1859 HydrophobicContact CG2-CG 3.71Å | |||
| 1858 | E | 31.8 | Very low | 31.5 | Very low | 169.6 Ų | 169.6 | 131.8 Ų | 131.8 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | 162.1 | 155.5 | 105.3 | -93.5 | -169.2 | 136.7 | 0 | 0 | 113.5 | |||||
| 1859 | L | 29.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | 15.6 | 137.4 | 146.9 | -78.6 | 154.2 | 0 | 0 | 0 | 115.9 | I1857 | I1857-L1859 HydrophobicContact CG2-CB 4.17Å; I1857-L1859 HydrophobicContact CG2-CD1 3.92Å; I1857-L1859 HydrophobicContact CG2-CG 3.71Å | ||
| 1860 | A | 28.7 | Very low | 32.2 | Very low | 76.8 Ų | 76.8 | 130.7 Ų | 130.7 | 64% | 0.635 | 74% | 0.739 | S | S | * | * | 93 | 133.2 | 119.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1862 | A1860-S1862 PolarHBondContact O-N 3.41Š| |||
| 1861 | T | 27.5 | Very low | 32.4 | Very low | 134.4 Ų | 134.4 | 128.7 Ų | 128.7 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | 55.8 | 118.7 | 98.1 | -16 | 0 | 0 | 0 | 0 | 117.2 | T1863 | T1861-T1863 HydrophobicContact CG2-CG2 3.99Å; T1861-T1863 PolarHBondContact O-N 3.2Å | |||
| 1862 | S | 31.1 | Very low | 32.4 | Very low | 102.6 Ų | 102.6 | 130 Ų | 130 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -121.3 | 118.7 | 146.9 | -169.4 | 0 | 0 | 0 | 0 | 111.9 | A1860 G1864 | A1860-S1862 PolarHBondContact O-N 3.41Å; S1862-G1864 PolarHBondContact O-N 3.1Å | ||
| 1863 | T | 30 | Very low | 32.6 | Very low | 127.4 Ų | 127.4 | 128.1 Ų | 128.1 | 78% | 0.782 | 73% | 0.731 | S | S | * | * | -89 | 95.9 | 111.1 | 19.4 | 0 | 0 | 0 | 0 | 114.2 | T1861 K1865 | T1861-T1863 HydrophobicContact CG2-CG2 3.99Å; T1861-T1863 PolarHBondContact O-N 3.2Å; T1863-K1865 PolarHBondContact O-N 2.95Å | |||
| 1864 | G | 34.4 | Very low | 32.6 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | trans | -37.4 | 99.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1862 V1866 | S1862-G1864 PolarHBondContact O-N 3.1Å; G1864-V1866 VanDerWaalsContact C-N 3.32Å; G1864-V1866 PolarHBondContact O-N 3.19Å; G1864-V1866 VanDerWaalsContact O-N 3.1Å | ||
| 1865 | K | 32.4 | Very low | 32.4 | Very low | 203.6 Ų | 203.6 | 134.2 Ų | 134.2 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | trans | -98.8 | 114.5 | 161 | -68.2 | 172.3 | -176.5 | 176.4 | 0 | 109.5 | T1863 N1867 | T1863-K1865 PolarHBondContact O-N 2.95Å; K1865-N1867 PolarHBondContact O-N 2.99Å | ||
| 1866 | V | 34.6 | Very low | 32.4 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | -87.4 | 115.7 | 152.6 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | G1864 I1868 | G1864-V1866 VanDerWaalsContact C-N 3.32Å; G1864-V1866 PolarHBondContact O-N 3.19Å; G1864-V1866 VanDerWaalsContact O-N 3.1Å; V1866-I1868 PolarHBondContact O-N 3.1Å | ||
| 1867 | N | 34.1 | Very low | 32.5 | Very low | 107.6 Ų | 107.6 | 129.6 Ų | 129.6 | 58% | 0.575 | 73% | 0.731 | S | S | * | * | trans | -99.2 | 126.9 | -165.3 | -161.6 | 12.8 | 0 | 0 | 0 | 110.3 | K1865 S1869 N1870 | K1865-N1867 PolarHBondContact O-N 2.99Å; N1867-S1869 WeakPolarHBondContact ND2-CB 3.09Å; N1867-S1869 PolarHBondContact ND2-OG 3.42Å; N1867-S1869 PolarHBondContact O-N 3.26Å; N1867-S1869 VanDerWaalsContact O-N 3.15Å; N1867-S1869 VanDerWaalsContact OD1-CB 3.26Å; N1867-S1869 WeakPolarHBondContact OD1-CB 3.29Å; N1867-S1869 PolarHBondContact OD1-N 3.43Å; N1867-S1869 PolarHBondContact OD1-OG 2.81Å; N1867-S1869 VanDerWaalsContact OD1-OG 3.12Å; N1867-N1870 HydrophobicContact CB-CB 4.42Å; N1867-N1870 VanDerWaalsContact ND2-CG 3.33Å; N1867-N1870 PolarHBondContact ND2-OD1 2.89Å; N1867-N1870 WeakPolarHBondContact O-CB 3.49Å; N1867-N1870 PolarHBondContact O-N 2.95Å | ||
| 1868 | I | 35.6 | Very low | 32.5 | Very low | 139.8 Ų | 139.8 | 131 Ų | 131 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -81.9 | -6.8 | 179.2 | -36 | 176 | 0 | 0 | 0 | 110.9 | V1866 N1870 L1871 | V1866-I1868 PolarHBondContact O-N 3.1Å; I1868-N1870 PolarHBondContact O-N 3.15Å; I1868-N1870 VanDerWaalsContact O-N 3.12Å; I1868-L1871 HydrophobicContact CG2-CD1 4.41Å; I1868-L1871 PolarHBondContact O-N 3.02Å |
| 1869 | S | 35.4 | Very low | 32.5 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 52% | 0.517 | 74% | 0.738 | S | S | . | * | G | 310 helix | trans | -69.1 | -15.3 | 174.1 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | N1867 L1871 I1872 T1874 | N1867-S1869 WeakPolarHBondContact ND2-CB 3.09Å; N1867-S1869 PolarHBondContact ND2-OG 3.42Å; N1867-S1869 PolarHBondContact O-N 3.26Å; N1867-S1869 VanDerWaalsContact O-N 3.15Å; N1867-S1869 VanDerWaalsContact OD1-CB 3.26Å; N1867-S1869 WeakPolarHBondContact OD1-CB 3.29Å; N1867-S1869 PolarHBondContact OD1-N 3.43Å; N1867-S1869 PolarHBondContact OD1-OG 2.81Å; N1867-S1869 VanDerWaalsContact OD1-OG 3.12Å; S1869-L1871 VanDerWaalsContact C-N 3.29Å; S1869-L1871 PolarHBondContact O-N 3.1Å; S1869-I1872 WeakPolarHBondContact O-CB 3.25Å; S1869-I1872 PolarHBondContact O-N 2.91Å; S1869-T1874 PolarHBondContact O-OG1 3.18Å |
| 1870 | N | 40.2 | Very low | 32.5 | Very low | 137.4 Ų | 137.4 | 125 Ų | 125 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -75.1 | 17.5 | 169.5 | -65.7 | 8.6 | 0 | 0 | 0 | 114.3 | N1867 I1868 | N1867-N1870 HydrophobicContact CB-CB 4.42Å; N1867-N1870 VanDerWaalsContact ND2-CG 3.33Å; N1867-N1870 PolarHBondContact ND2-OD1 2.89Å; N1867-N1870 WeakPolarHBondContact O-CB 3.49Å; N1867-N1870 PolarHBondContact O-N 2.95Å; I1868-N1870 PolarHBondContact O-N 3.15Å; I1868-N1870 VanDerWaalsContact O-N 3.12Å |
| 1871 | L | 34 | Very low | 32.8 | Very low | 150.2 Ų | 150.2 | 129.6 Ų | 129.6 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -117.1 | 31 | 167 | -77.7 | 167.1 | 0 | 0 | 0 | 112.4 | I1868 S1869 P1873 | I1868-L1871 HydrophobicContact CG2-CD1 4.41Å; I1868-L1871 PolarHBondContact O-N 3.02Å; S1869-L1871 VanDerWaalsContact C-N 3.29Å; S1869-L1871 PolarHBondContact O-N 3.1Å; L1871-P1873 WeakPolarHBondContact O-CD 3.04Å |
| 1872 | I | 30.7 | Very low | 33 | Very low | 125.6 Ų | 125.6 | 131.3 Ų | 131.3 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -96.7 | 124.5 | 166.9 | -61.1 | 173.1 | 0 | 0 | 0 | 108.1 | S1869 T1874 | S1869-I1872 WeakPolarHBondContact O-CB 3.25Å; S1869-I1872 PolarHBondContact O-N 2.91Å; I1872-T1874 VanDerWaalsContact C-N 3.34Å; I1872-T1874 HydrophobicContact CG2-CG2 4.23Å; I1872-T1874 PolarHBondContact O-N 3.09Å; I1872-T1874 PolarHBondContact O-OG1 3.09Å |
| 1873 | P | 31.6 | Very low | 33.2 | Very low | 122.8 Ų | 122.8 | 131.3 Ų | 131.3 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -81.7 | 105.3 | 157.8 | 0.2 | 12.4 | 0 | 0 | 0 | 112.5 | L1871 Y1875 | L1871-P1873 WeakPolarHBondContact O-CD 3.04Å; P1873-Y1875 WeakPolarHBondContact O-CD2 3.42Å; P1873-Y1875 PolarHBondContact O-N 3.01Å | ||
| 1874 | T | 32 | Very low | 33.4 | Very low | 109.6 Ų | 109.6 | 135.6 Ų | 135.6 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | trans | -82.8 | 122.3 | 173.3 | 36.3 | 0 | 0 | 0 | 0 | 110.6 | S1869 I1872 | S1869-T1874 PolarHBondContact O-OG1 3.18Å; I1872-T1874 VanDerWaalsContact C-N 3.34Å; I1872-T1874 HydrophobicContact CG2-CG2 4.23Å; I1872-T1874 PolarHBondContact O-N 3.09Å; I1872-T1874 PolarHBondContact O-OG1 3.09Å | ||
| 1875 | Y | 29.3 | Very low | 33.3 | Very low | 222.8 Ų | 222.8 | 138.3 Ų | 138.3 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -78.5 | 142.2 | 160.1 | -96.7 | -99.2 | 0 | 0 | 0 | 109.8 | P1873 | P1873-Y1875 WeakPolarHBondContact O-CD2 3.42Å; P1873-Y1875 PolarHBondContact O-N 3.01Å | ||
| 1876 | D | 34.1 | Very low | 33.5 | Very low | 130.8 Ų | 130.8 | 133.7 Ų | 133.7 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -137.6 | 150.3 | 35 | -146.6 | -18.5 | 0 | 0 | 0 | 111.4 | M1878 | D1876-M1878 PolarHBondContact O-N 2.87Å; D1876-M1878 WeakPolarHBondContact OD1-CB 3.2Å; D1876-M1878 WeakPolarHBondContact OD1-CG 3.48Å; D1876-M1878 PolarHBondContact OD1-N 2.9Å | ||
| 1877 | S | 33.2 | Very low | 33.5 | Very low | 102.8 Ų | 102.8 | 133.4 Ų | 133.4 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | trans | 99.4 | 83.6 | 146.5 | -69.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1878 | M | 31.4 | Very low | 33.4 | Very low | 166.2 Ų | 166.2 | 137.1 Ų | 137.1 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | trans | 110 | 105.8 | 133.6 | -72.2 | -70.1 | -77.9 | 0 | 0 | 116.3 | D1876 | D1876-M1878 PolarHBondContact O-N 2.87Å; D1876-M1878 WeakPolarHBondContact OD1-CB 3.2Å; D1876-M1878 WeakPolarHBondContact OD1-CG 3.48Å; D1876-M1878 PolarHBondContact OD1-N 2.9Å | ||
| 1879 | S | 32.9 | Very low | 33.4 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | 62.9 | 120.6 | 155.1 | -60.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1880 | G | 30.2 | Very low | 33.4 | Very low | 72.4 Ų | 72.4 | 139.8 Ų | 139.8 | 75% | 0.746 | 75% | 0.751 | S | S | * | * | trans | 154.6 | 123.6 | 131 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1881 | L | 33.4 | Very low | 33.1 | Very low | 172.4 Ų | 172.4 | 138.1 Ų | 138.1 | 90% | 0.903 | 75% | 0.75 | S | S | * | * | trans | 74.7 | 128.9 | 167 | -68.5 | 170.9 | 0 | 0 | 0 | 115.7 | ||||
| 1882 | H | 31.6 | Very low | 33.1 | Very low | 169.8 Ų | 169.8 | 139.3 Ų | 139.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -172.9 | 138.6 | 145.2 | -141.6 | -93.6 | 0 | 0 | 0 | 114 | R1884 | H1882-R1884 PolarHBondContact CE1-N 2.84Š| ||
| 1883 | P | 36.1 | Very low | 33.3 | Very low | 102.2 Ų | 102.2 | 138.1 Ų | 138.1 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -118.3 | 155.8 | 179 | 37.7 | -27 | 0 | 0 | 0 | 114.1 | ||||
| 1884 | R | 33.4 | Very low | 33.4 | Very low | 217.8 Ų | 217.8 | 141 Ų | 141 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 94.4 | 103.8 | 159.3 | -91.8 | 177.7 | 174.5 | 167 | -1.7 | 115.1 | H1882 | H1882-R1884 PolarHBondContact CE1-N 2.84Š| ||
| 1885 | T | 32.6 | Very low | 33.6 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -120.3 | 133.1 | 132.9 | 39.5 | 0 | 0 | 0 | 0 | 111.7 | I1887 | T1885-I1887 PolarHBondContact O-N 3.23Š| ||
| 1886 | P | 36.3 | Very low | 34 | Very low | 108.4 Ų | 108.4 | 142 Ų | 142 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | trans | -88.2 | 134.2 | 171.8 | 31 | -26.5 | 0 | 0 | 0 | 110.4 | Y1888 | P1886-Y1888 PolarHBondContact O-N 3.36Š| ||
| 1887 | I | 34.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 65% | 0.646 | 77% | 0.768 | S | S | * | * | trans | -73.7 | 120 | 159.4 | -52.8 | 176.1 | 0 | 0 | 0 | 108.6 | T1885 L1889 D1944 D1946 | T1885-I1887 PolarHBondContact O-N 3.23Å; I1887-L1889 HydrophobicContact CG2-CD2 4.03Å; I1887-L1889 HydrophobicContact CG2-CG 4.25Å; I1887-L1889 PolarHBondContact O-N 2.93Å; I1887-D1944 WeakPolarHBondContact CG1-OD1 3.44Å; I1887-D1944 HydrophobicContact CG2-CB 3.71Å; I1887-D1946 VanDerWaalsContact CD1-C 3.42Å; I1887-D1946 WeakPolarHBondContact CD1-O 3Å | ||
| 1888 | Y | 31.7 | Very low | 34.2 | Very low | 185.8 Ų | 185.8 | 145.5 Ų | 145.5 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | -98 | 137.2 | 160.8 | -109.8 | -107.5 | 0 | 0 | 0 | 110.5 | P1886 D1890 T1947 | P1886-Y1888 PolarHBondContact O-N 3.36Å; Y1888-D1890 VanDerWaalsContact C-N 3.27Å; Y1888-D1890 WeakPolarHBondContact CD1-OD1 3.46Å; Y1888-D1890 PolarHBondContact O-N 3.45Å; Y1888-T1947 WeakPolarHBondContact CE2-O 3.16Å | ||
| 1889 | L | 37.2 | Very low | 34.4 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -118.8 | 94.5 | 160.3 | -76.1 | 173.2 | 0 | 0 | 0 | 109.2 | I1887 S1891 V1941 | I1887-L1889 HydrophobicContact CG2-CD2 4.03Å; I1887-L1889 HydrophobicContact CG2-CG 4.25Å; I1887-L1889 PolarHBondContact O-N 2.93Å; L1889-S1891 VanDerWaalsContact C-N 3.29Å; L1889-S1891 PolarHBondContact O-N 3.21Å; L1889-S1891 PolarHBondContact O-OG 3.25Å; L1889-V1941 HydrophobicContact CD1-CG2 3.62Å | ||
| 1890 | D | 35.5 | Very low | 34.4 | Very low | 127.6 Ų | 127.6 | 144.4 Ų | 144.4 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -74.8 | 107.6 | 160.7 | -67.6 | -31.1 | 0 | 0 | 0 | 110.3 | Y1888 E1892 | Y1888-D1890 VanDerWaalsContact C-N 3.27Å; Y1888-D1890 WeakPolarHBondContact CD1-OD1 3.46Å; Y1888-D1890 PolarHBondContact O-N 3.45Å; D1890-E1892 PolarHBondContact O-N 2.9Å | ||
| 1891 | S | 33.8 | Very low | 34.6 | Very low | 101.8 Ų | 101.8 | 147.3 Ų | 147.3 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -111.9 | 81.9 | 160.4 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | L1889 S1893 | L1889-S1891 VanDerWaalsContact C-N 3.29Å; L1889-S1891 PolarHBondContact O-N 3.21Å; L1889-S1891 PolarHBondContact O-OG 3.25Å; S1891-S1893 PolarHBondContact O-N 2.94Å; S1891-S1893 VanDerWaalsContact O-N 3.11Å; S1891-S1893 PolarHBondContact O-OG 3.48Å | ||
| 1892 | E | 33.3 | Very low | 34.7 | Very low | 174.6 Ų | 174.6 | 150.1 Ų | 150.1 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | -115.2 | 116.8 | 152.7 | -69.8 | 174.7 | -153.7 | 0 | 0 | 108.4 | D1890 | D1890-E1892 PolarHBondContact O-N 2.9Š| ||
| 1893 | S | 34 | Very low | 34.7 | Very low | 99.6 Ų | 99.6 | 145.4 Ų | 145.4 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -155.1 | 127.9 | 141 | 72 | 0 | 0 | 0 | 0 | 111.7 | S1891 E1895 | S1891-S1893 PolarHBondContact O-N 2.94Å; S1891-S1893 VanDerWaalsContact O-N 3.11Å; S1891-S1893 PolarHBondContact O-OG 3.48Å; S1893-E1895 PolarHBondContact O-N 3.38Å | ||
| 1894 | E | 35.3 | Very low | 34.6 | Very low | 183.8 Ų | 183.8 | 149.3 Ų | 149.3 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -100.5 | 139.6 | 161 | -75.1 | 173.9 | 167.6 | 0 | 0 | 112.8 | E1896 | E1894-E1896 PolarHBondContact O-N 2.9Š| ||
| 1895 | E | 35.8 | Very low | 34.5 | Very low | 185.2 Ų | 185.2 | 144.5 Ų | 144.5 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -13.8 | 120.7 | 169.4 | -62.7 | -175.8 | 154.4 | 0 | 0 | 117.5 | S1893 M1897 | S1893-E1895 PolarHBondContact O-N 3.38Å; E1895-M1897 PolarHBondContact O-N 3.27Å | ||
| 1896 | E | 36.9 | Very low | 34.7 | Very low | 169.8 Ų | 169.8 | 144.3 Ų | 144.3 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -118.2 | 132.1 | 144.9 | -157 | 176.9 | -162.7 | 0 | 0 | 111.9 | E1894 I1898 H1957 | E1894-E1896 PolarHBondContact O-N 2.9Å; E1896-I1898 HydrophobicContact CG-CD1 4.39Å; E1896-I1898 HydrophobicContact CG-CG1 4.1Å; E1896-I1898 PolarHBondContact O-N 3.03Å; E1896-I1898 WeakPolarHBondContact OE1-CD1 3.25Å; E1896-I1898 WeakPolarHBondContact OE1-CG1 3.38Å; E1896-H1957 IonicContact OE1-CE1 3.27Å; E1896-H1957 PolarHBondContact OE1-CE1 2.91Å | ||
| 1897 | M | 32.4 | Very low | 34.7 | Very low | 166.6 Ų | 166.6 | 148 Ų | 148 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | trans | -97.8 | 94.4 | 178.1 | -136.8 | -175.3 | -69.3 | 0 | 0 | 111.2 | E1895 T1899 | E1895-M1897 PolarHBondContact O-N 3.27Å; M1897-T1899 HydrophobicContact CG-CG2 3.76Å; M1897-T1899 PolarHBondContact O-N 3.18Å; M1897-T1899 HydrophobicContact SD-CG2 3.83Å | ||
| 1898 | I | 38.6 | Very low | 34.9 | Very low | 140.2 Ų | 140.2 | 150 Ų | 150 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | -90.3 | 96.7 | 170.6 | -54.3 | -177.6 | 0 | 0 | 0 | 109.7 | E1896 N1900 | E1896-I1898 HydrophobicContact CG-CD1 4.39Å; E1896-I1898 HydrophobicContact CG-CG1 4.1Å; E1896-I1898 PolarHBondContact O-N 3.03Å; E1896-I1898 WeakPolarHBondContact OE1-CD1 3.25Å; E1896-I1898 WeakPolarHBondContact OE1-CG1 3.38Å; I1898-N1900 PolarHBondContact O-N 3.15Å | ||
| 1899 | T | 35.6 | Very low | 35 | Very low | 107.4 Ų | 107.4 | 146.6 Ų | 146.6 | 66% | 0.659 | 78% | 0.781 | S | S | * | * | trans | -84.7 | 112.8 | 173.7 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | M1897 V1901 | M1897-T1899 HydrophobicContact CG-CG2 3.76Å; M1897-T1899 PolarHBondContact O-N 3.18Å; M1897-T1899 HydrophobicContact SD-CG2 3.83Å; T1899-V1901 PolarHBondContact O-N 3Å | ||
| 1900 | N | 33.9 | Very low | 35.1 | Very low | 155.6 Ų | 155.6 | 145.1 Ų | 145.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -124.7 | 104.2 | 156.4 | -106.7 | -43 | 0 | 0 | 0 | 111.8 | I1898 R1902 | I1898-N1900 PolarHBondContact O-N 3.15Å; N1900-R1902 PolarHBondContact O-N 3.21Å; N1900-R1902 VanDerWaalsContact O-N 3.11Å | ||
| 1901 | V | 34.8 | Very low | 35.1 | Very low | 132.4 Ų | 132.4 | 147.4 Ų | 147.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -88.8 | 113.6 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | T1899 G1903 | T1899-V1901 PolarHBondContact O-N 3Å; V1901-G1903 PolarHBondContact O-N 2.88Å | ||
| 1902 | R | 35.5 | Very low | 35.5 | Very low | 232.4 Ų | 232.4 | 148 Ų | 148 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -140.5 | 115.7 | 151.2 | -149.2 | 174.6 | -173.4 | -171.7 | 2.5 | 110.7 | D1758 N1900 | D1758-R1902 IonicContact OD2-CZ 2.86Å; D1758-R1902 IonicContact OD2-NH1 3.66Å; D1758-R1902 PolarHBondContact OD2-NH1 3.45Å; D1758-R1902 IonicContact OD2-NH2 2.58Å; D1758-R1902 PolarHBondContact OD2-NH2 2.94Å; N1900-R1902 PolarHBondContact O-N 3.21Å; N1900-R1902 VanDerWaalsContact O-N 3.11Å | ||
| 1903 | G | 30.5 | Very low | 35.8 | Very low | 70.2 Ų | 70.2 | 144.9 Ų | 144.9 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 147.8 | 108.8 | 169 | 0 | 0 | 0 | 0 | 0 | 116 | V1901 S1905 | V1901-G1903 PolarHBondContact O-N 2.88Å; G1903-S1905 PolarHBondContact O-N 3.15Å | ||
| 1904 | M | 35.1 | Very low | 36 | Very low | 183.6 Ų | 183.6 | 145.3 Ų | 145.3 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -123 | 115 | 156.7 | -89.5 | 179.7 | 63 | 0 | 0 | 109.1 | V1906 | M1904-V1906 VanDerWaalsContact C-N 3.26Å; M1904-V1906 HydrophobicContact CB-CG2 4.49Å; M1904-V1906 HydrophobicContact CE-CG2 3.66Å; M1904-V1906 PolarHBondContact O-N 3.15Å | ||
| 1905 | S | 31.3 | Very low | 36.8 | Very low | 116.6 Ų | 116.6 | 140.7 Ų | 140.7 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | -91.3 | 113 | 175.1 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | G1903 | G1903-S1905 PolarHBondContact O-N 3.15Š| ||
| 1906 | V | 37.4 | Very low | 37.8 | Very low | 120.6 Ų | 120.6 | 139.9 Ų | 139.9 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | trans | -126.2 | 112.4 | 163.6 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | M1904 E1908 | M1904-V1906 VanDerWaalsContact C-N 3.26Å; M1904-V1906 HydrophobicContact CB-CG2 4.49Å; M1904-V1906 HydrophobicContact CE-CG2 3.66Å; M1904-V1906 PolarHBondContact O-N 3.15Å; V1906-E1908 VanDerWaalsContact C-N 3.33Å; V1906-E1908 HydrophobicContact CG1-CB 4.15Å; V1906-E1908 PolarHBondContact O-N 3.31Å; V1906-E1908 VanDerWaalsContact O-N 3.1Å | ||
| 1907 | E | 35.9 | Very low | 38.5 | Very low | 184.6 Ų | 184.6 | 137.1 Ų | 137.1 | 86% | 0.863 | 74% | 0.742 | S | S | * | * | trans | -77.9 | 94.7 | 170.4 | -67.7 | 177.9 | 110.4 | 0 | 0 | 109.4 | T1909 | E1907-T1909 PolarHBondContact O-N 3.04Å; E1907-T1909 VanDerWaalsContact O-N 3.13Å; E1907-T1909 PolarHBondContact O-OG1 3.27Å | ||
| 1908 | E | 38.5 | Very low | 39.8 | Very low | 167.6 Ų | 167.6 | 132.3 Ų | 132.3 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -92.4 | 107.3 | 167.4 | -166.4 | 166.5 | -171.4 | 0 | 0 | 110 | V1906 V1910 | V1906-E1908 VanDerWaalsContact C-N 3.33Å; V1906-E1908 HydrophobicContact CG1-CB 4.15Å; V1906-E1908 PolarHBondContact O-N 3.31Å; V1906-E1908 VanDerWaalsContact O-N 3.1Å; E1908-V1910 VanDerWaalsContact C-N 3.35Å; E1908-V1910 HydrophobicContact CB-CG2 4.37Å; E1908-V1910 HydrophobicContact CG-CG2 4.12Å; E1908-V1910 PolarHBondContact O-N 3.24Å | ||
| 1909 | T | 34.6 | Very low | 41.2 | Very low | 114.6 Ų | 114.6 | 131.4 Ų | 131.4 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -77.9 | 82.6 | -171.6 | -53 | 0 | 0 | 0 | 0 | 111.1 | E1907 Q1911 | E1907-T1909 PolarHBondContact O-N 3.04Å; E1907-T1909 VanDerWaalsContact O-N 3.13Å; E1907-T1909 PolarHBondContact O-OG1 3.27Å; T1909-Q1911 VanDerWaalsContact C-N 3.28Å; T1909-Q1911 HydrophobicContact CG2-CG 4.09Å; T1909-Q1911 PolarHBondContact O-N 3.17Å; T1909-Q1911 VanDerWaalsContact O-N 3.14Å | ||
| 1910 | V | 38.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | trans | -71.9 | 93.5 | 173.7 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | E1908 V1912 | E1908-V1910 VanDerWaalsContact C-N 3.35Å; E1908-V1910 HydrophobicContact CB-CG2 4.37Å; E1908-V1910 HydrophobicContact CG-CG2 4.12Å; E1908-V1910 PolarHBondContact O-N 3.24Å; V1910-V1912 VanDerWaalsContact C-N 3.31Å; V1910-V1912 HydrophobicContact CG1-CG2 4.24Å; V1910-V1912 PolarHBondContact O-N 3.02Å | ||
| 1911 | Q | 36.1 | Very low | 44.1 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -72.6 | 92.4 | 173.6 | -108.7 | 173 | 18.2 | 0 | 0 | 110.2 | T1909 P1913 | T1909-Q1911 VanDerWaalsContact C-N 3.28Å; T1909-Q1911 HydrophobicContact CG2-CG 4.09Å; T1909-Q1911 PolarHBondContact O-N 3.17Å; T1909-Q1911 VanDerWaalsContact O-N 3.14Å; Q1911-P1913 WeakPolarHBondContact O-CD 3.35Å | ||
| 1912 | V | 41.1 | Very low | 46.3 | Very low | 114.6 Ų | 114.6 | 126 Ų | 126 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | trans | -65.9 | 127.2 | 166.1 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | V1910 D1914 | V1910-V1912 VanDerWaalsContact C-N 3.31Å; V1910-V1912 HydrophobicContact CG1-CG2 4.24Å; V1910-V1912 PolarHBondContact O-N 3.02Å; V1912-D1914 PolarHBondContact O-N 3.17Å; V1912-D1914 VanDerWaalsContact O-N 3.16Å | ||
| 1913 | P | 39.7 | Very low | 48.6 | Very low | 109.6 Ų | 109.6 | 121.9 Ų | 121.9 | 71% | 0.712 | 67% | 0.67 | S | S | * | * | trans | -67.1 | 117.2 | 179.5 | 17.7 | -22.1 | 0 | 0 | 0 | 110.5 | Q1911 T1915 | Q1911-P1913 WeakPolarHBondContact O-CD 3.35Å; P1913-T1915 VanDerWaalsContact C-N 3.31Å; P1913-T1915 HydrophobicContact CB-CG2 4.4Å; P1913-T1915 PolarHBondContact O-N 3.13Å | ||
| 1914 | D | 39.6 | Very low | 51 | Low | 108.4 Ų | 108.4 | 124.5 Ų | 124.5 | 58% | 0.58 | 66% | 0.664 | S | S | * | * | trans | -64.9 | 104.3 | 177.1 | -143.7 | -3.6 | 0 | 0 | 0 | 109.7 | V1912 K1916 S1918 Q1919 | V1912-D1914 PolarHBondContact O-N 3.17Å; V1912-D1914 VanDerWaalsContact O-N 3.16Å; D1914-K1916 PolarHBondContact O-N 3.4Å; D1914-K1916 VanDerWaalsContact O-N 3.09Å; D1914-K1916 IonicContact OD2-NZ 3.59Å; D1914-S1918 VanDerWaalsContact OD1-CB 3.24Å; D1914-S1918 WeakPolarHBondContact OD1-CB 3.39Å; D1914-S1918 PolarHBondContact OD1-OG 3.19Å; D1914-Q1919 WeakPolarHBondContact OD2-CG 3.48Å; D1914-Q1919 PolarHBondContact OD2-NE2 3.4Å | ||
| 1915 | T | 52.2 | Low | 53.1 | Low | 87.2 Ų | 87.2 | 119.7 Ų | 119.7 | 54% | 0.535 | 64% | 0.644 | S | S | . | * | trans | -78.3 | 128.2 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | P1913 D1917 S1918 Q1919 | P1913-T1915 VanDerWaalsContact C-N 3.31Å; P1913-T1915 HydrophobicContact CB-CG2 4.4Å; P1913-T1915 PolarHBondContact O-N 3.13Å; T1915-D1917 VanDerWaalsContact C-N 3.26Å; T1915-D1917 PolarHBondContact O-N 3.12Å; T1915-D1917 VanDerWaalsContact O-N 3.1Å; T1915-S1918 WeakPolarHBondContact O-CA 3.2Å; T1915-S1918 VanDerWaalsContact O-CB 3.26Å; T1915-S1918 WeakPolarHBondContact O-CB 3.28Å; T1915-S1918 PolarHBondContact O-N 2.83Å; T1915-S1918 WeakPolarHBondContact OG1-CB 3.43Å; T1915-S1918 PolarHBondContact OG1-N 3.24Å; T1915-S1918 VanDerWaalsContact OG1-N 3.15Å; T1915-Q1919 PolarHBondContact O-N 3.13Å | ||
| 1916 | K | 55.3 | Low | 55.7 | Low | 167.4 Ų | 167.4 | 118.8 Ų | 118.8 | 73% | 0.728 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -46.8 | -38.5 | 175.1 | -66.2 | -177.4 | 179.7 | 176.4 | 0 | 113.6 | D1914 S1918 Q1919 V1920 | D1914-K1916 PolarHBondContact O-N 3.4Å; D1914-K1916 VanDerWaalsContact O-N 3.09Å; D1914-K1916 IonicContact OD2-NZ 3.59Å; K1916-S1918 VanDerWaalsContact C-N 3.27Å; K1916-S1918 PolarHBondContact O-N 2.85Å; K1916-Q1919 WeakPolarHBondContact O-CA 3.46Å; K1916-Q1919 WeakPolarHBondContact O-CB 3.38Å; K1916-Q1919 PolarHBondContact O-N 3.27Å; K1916-V1920 WeakPolarHBondContact O-CB 3.34Å; K1916-V1920 WeakPolarHBondContact O-CG2 3.38Å; K1916-V1920 PolarHBondContact O-N 3.02Å |
| 1917 | D | 51.4 | Low | 58 | Low | 110.8 Ų | 110.8 | 117.8 Ų | 117.8 | 59% | 0.593 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.1 | -34.1 | 180 | -52.1 | -39.4 | 0 | 0 | 0 | 112.1 | T1915 Q1919 V1920 C1921 | T1915-D1917 VanDerWaalsContact C-N 3.26Å; T1915-D1917 PolarHBondContact O-N 3.12Å; T1915-D1917 VanDerWaalsContact O-N 3.1Å; D1917-Q1919 VanDerWaalsContact C-N 3.31Å; D1917-Q1919 PolarHBondContact O-N 3.05Å; D1917-V1920 PolarHBondContact O-N 3.19Å; D1917-V1920 VanDerWaalsContact O-N 3.14Å; D1917-C1921 VanDerWaalsContact O-CB 3.28Å; D1917-C1921 WeakPolarHBondContact O-CB 3.39Å; D1917-C1921 PolarHBondContact O-N 2.93Å; D1917-C1921 PolarHBondContact O-SG 3.08Å; D1917-C1921 VanDerWaalsContact O-SG 3.34Å |
| 1918 | S | 60.9 | Low | 60.2 | Low | 67.2 Ų | 67.2 | 117.1 Ų | 117.1 | 47% | 0.47 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.8 | -46.1 | 171.4 | 178.5 | 0 | 0 | 0 | 0 | 112 | D1914 T1915 K1916 V1920 C1921 K1922 | D1914-S1918 VanDerWaalsContact OD1-CB 3.24Å; D1914-S1918 WeakPolarHBondContact OD1-CB 3.39Å; D1914-S1918 PolarHBondContact OD1-OG 3.19Å; T1915-S1918 WeakPolarHBondContact O-CA 3.2Å; T1915-S1918 VanDerWaalsContact O-CB 3.26Å; T1915-S1918 WeakPolarHBondContact O-CB 3.28Å; T1915-S1918 PolarHBondContact O-N 2.83Å; T1915-S1918 WeakPolarHBondContact OG1-CB 3.43Å; T1915-S1918 PolarHBondContact OG1-N 3.24Å; T1915-S1918 VanDerWaalsContact OG1-N 3.15Å; K1916-S1918 VanDerWaalsContact C-N 3.27Å; K1916-S1918 PolarHBondContact O-N 2.85Å; S1918-V1920 VanDerWaalsContact C-N 3.34Å; S1918-V1920 PolarHBondContact O-N 2.76Å; S1918-C1921 PolarHBondContact O-N 3.2Å; S1918-K1922 VanDerWaalsContact O-CB 3.23Å; S1918-K1922 WeakPolarHBondContact O-CB 3.37Å; S1918-K1922 PolarHBondContact O-N 2.95Å |
| 1919 | Q | 67.9 | Low | 62.3 | Low | 120.8 Ų | 120.8 | 113 Ų | 113 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.9 | -36.4 | 175.7 | -76.8 | -166 | -3.3 | 0 | 0 | 112.9 | D1914 T1915 K1916 D1917 K1922 K1923 | D1914-Q1919 WeakPolarHBondContact OD2-CG 3.48Å; D1914-Q1919 PolarHBondContact OD2-NE2 3.4Å; T1915-Q1919 PolarHBondContact O-N 3.13Å; K1916-Q1919 WeakPolarHBondContact O-CA 3.46Å; K1916-Q1919 WeakPolarHBondContact O-CB 3.38Å; K1916-Q1919 PolarHBondContact O-N 3.27Å; D1917-Q1919 VanDerWaalsContact C-N 3.31Å; D1917-Q1919 PolarHBondContact O-N 3.05Å; Q1919-K1922 PolarHBondContact O-N 3.03Å; Q1919-K1923 WeakPolarHBondContact O-CB 3.25Å; Q1919-K1923 WeakPolarHBondContact O-CG 3.36Å; Q1919-K1923 PolarHBondContact O-N 2.92Å |
| 1920 | V | 71.6 | Confident | 64.6 | Low | 80.6 Ų | 80.6 | 114.2 Ų | 114.2 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.8 | -45.8 | 176.5 | 172 | 0 | 0 | 0 | 0 | 110.7 | K1916 D1917 S1918 K1922 K1923 Q1924 | K1916-V1920 WeakPolarHBondContact O-CB 3.34Å; K1916-V1920 WeakPolarHBondContact O-CG2 3.38Å; K1916-V1920 PolarHBondContact O-N 3.02Å; D1917-V1920 PolarHBondContact O-N 3.19Å; D1917-V1920 VanDerWaalsContact O-N 3.14Å; S1918-V1920 VanDerWaalsContact C-N 3.34Å; S1918-V1920 PolarHBondContact O-N 2.76Å; V1920-K1922 VanDerWaalsContact C-N 3.32Å; V1920-K1922 PolarHBondContact O-N 2.96Å; V1920-K1923 PolarHBondContact O-N 3.12Å; V1920-K1923 VanDerWaalsContact O-N 3.16Å; V1920-Q1924 WeakPolarHBondContact O-CB 3.33Å; V1920-Q1924 WeakPolarHBondContact O-CG 3.23Å; V1920-Q1924 PolarHBondContact O-N 2.95Å |
| 1921 | C | 59.7 | Low | 67 | Low | 74.2 Ų | 74.2 | 114.7 Ų | 114.7 | 50% | 0.501 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.1 | -42.8 | 174.6 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | D1917 S1918 K1923 Q1924 V1925 | D1917-C1921 VanDerWaalsContact O-CB 3.28Å; D1917-C1921 WeakPolarHBondContact O-CB 3.39Å; D1917-C1921 PolarHBondContact O-N 2.93Å; D1917-C1921 PolarHBondContact O-SG 3.08Å; D1917-C1921 VanDerWaalsContact O-SG 3.34Å; S1918-C1921 PolarHBondContact O-N 3.2Å; C1921-K1923 PolarHBondContact O-N 3Å; C1921-Q1924 PolarHBondContact O-N 3.01Å; C1921-V1925 WeakPolarHBondContact O-CG2 3.22Å; C1921-V1925 PolarHBondContact O-N 3.16Å; C1921-V1925 VanDerWaalsContact O-N 3.09Å |
| 1922 | K | 80.9 | Confident | 68.8 | Low | 126.6 Ų | 126.6 | 108.2 Ų | 108.2 | 55% | 0.55 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.5 | -47.3 | 175.6 | -173.6 | 175.6 | 180 | -117.8 | 0 | 111.4 | S1918 Q1919 V1920 Q1924 V1925 E1926 | S1918-K1922 VanDerWaalsContact O-CB 3.23Å; S1918-K1922 WeakPolarHBondContact O-CB 3.37Å; S1918-K1922 PolarHBondContact O-N 2.95Å; Q1919-K1922 PolarHBondContact O-N 3.03Å; V1920-K1922 VanDerWaalsContact C-N 3.32Å; V1920-K1922 PolarHBondContact O-N 2.96Å; K1922-Q1924 PolarHBondContact O-N 3.09Å; K1922-V1925 PolarHBondContact O-N 3.32Å; K1922-V1925 VanDerWaalsContact O-N 3.16Å; K1922-E1926 WeakPolarHBondContact CE-OE1 3.3Å; K1922-E1926 IonicContact NZ-OE1 2.96Å; K1922-E1926 PolarHBondContact NZ-OE1 3.14Å; K1922-E1926 IonicContact NZ-OE2 3.46Å; K1922-E1926 PolarHBondContact NZ-OE2 3.27Å; K1922-E1926 WeakPolarHBondContact O-CB 3.32Å; K1922-E1926 WeakPolarHBondContact O-CG 3.41Å; K1922-E1926 PolarHBondContact O-N 3.14Å |
| 1923 | K | 82.6 | Confident | 70.5 | Confident | 146.4 Ų | 146.4 | 108.4 Ų | 108.4 | 64% | 0.637 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 176.9 | -78.9 | -169 | 172.6 | -168.7 | 0 | 113.4 | Q1919 V1920 C1921 V1925 E1926 E1927 | Q1919-K1923 WeakPolarHBondContact O-CB 3.25Å; Q1919-K1923 WeakPolarHBondContact O-CG 3.36Å; Q1919-K1923 PolarHBondContact O-N 2.92Å; V1920-K1923 PolarHBondContact O-N 3.12Å; V1920-K1923 VanDerWaalsContact O-N 3.16Å; C1921-K1923 PolarHBondContact O-N 3Å; K1923-V1925 VanDerWaalsContact C-N 3.33Å; K1923-V1925 PolarHBondContact O-N 3.06Å; K1923-E1926 PolarHBondContact O-N 2.96Å; K1923-E1927 VanDerWaalsContact O-CB 3.3Å; K1923-E1927 WeakPolarHBondContact O-CB 3.32Å; K1923-E1927 PolarHBondContact O-N 3.06Å |
| 1924 | Q | 80.3 | Confident | 72.2 | Confident | 124.8 Ų | 124.8 | 105.9 Ų | 105.9 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -35.5 | 174.9 | -79.3 | -169.1 | -31.3 | 0 | 0 | 112.5 | V1920 C1921 K1922 W1928 | V1920-Q1924 WeakPolarHBondContact O-CB 3.33Å; V1920-Q1924 WeakPolarHBondContact O-CG 3.23Å; V1920-Q1924 PolarHBondContact O-N 2.95Å; C1921-Q1924 PolarHBondContact O-N 3.01Å; K1922-Q1924 PolarHBondContact O-N 3.09Å; Q1924-W1928 VanDerWaalsContact O-CB 3.28Å; Q1924-W1928 WeakPolarHBondContact O-CB 3.41Å; Q1924-W1928 PolarHBondContact O-N 3.13Å |
| 1925 | V | 80.3 | Confident | 73.6 | Confident | 82.4 Ų | 82.4 | 105.2 Ų | 105.2 | 50% | 0.499 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.7 | -41.1 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | C1921 K1922 K1923 W1928 I1929 | C1921-V1925 WeakPolarHBondContact O-CG2 3.22Å; C1921-V1925 PolarHBondContact O-N 3.16Å; C1921-V1925 VanDerWaalsContact O-N 3.09Å; K1922-V1925 PolarHBondContact O-N 3.32Å; K1922-V1925 VanDerWaalsContact O-N 3.16Å; K1923-V1925 VanDerWaalsContact C-N 3.33Å; K1923-V1925 PolarHBondContact O-N 3.06Å; V1925-W1928 PolarHBondContact O-N 3.19Å; V1925-I1929 HydrophobicContact CG1-CD1 3.82Å; V1925-I1929 HydrophobicContact CG1-CG1 4.47Å; V1925-I1929 WeakPolarHBondContact O-CB 3.33Å; V1925-I1929 WeakPolarHBondContact O-CD1 3.48Å; V1925-I1929 VanDerWaalsContact O-CG1 3.25Å; V1925-I1929 WeakPolarHBondContact O-CG1 3.35Å; V1925-I1929 PolarHBondContact O-N 3.1Å |
| 1926 | E | 84.8 | Confident | 73.5 | Confident | 98.8 Ų | 98.8 | 109.2 Ų | 109.2 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 174.6 | -83.7 | 166.5 | 163.5 | 0 | 0 | 111.4 | K1922 K1923 W1928 I1929 E1930 | K1922-E1926 WeakPolarHBondContact CE-OE1 3.3Å; K1922-E1926 IonicContact NZ-OE1 2.96Å; K1922-E1926 PolarHBondContact NZ-OE1 3.14Å; K1922-E1926 IonicContact NZ-OE2 3.46Å; K1922-E1926 PolarHBondContact NZ-OE2 3.27Å; K1922-E1926 WeakPolarHBondContact O-CB 3.32Å; K1922-E1926 WeakPolarHBondContact O-CG 3.41Å; K1922-E1926 PolarHBondContact O-N 3.14Å; K1923-E1926 PolarHBondContact O-N 2.96Å; E1926-W1928 VanDerWaalsContact C-N 3.31Å; E1926-W1928 PolarHBondContact O-N 2.95Å; E1926-I1929 PolarHBondContact O-N 2.9Å; E1926-E1930 WeakPolarHBondContact O-CB 3.38Å; E1926-E1930 PolarHBondContact O-N 3.01Å |
| 1927 | E | 85.5 | Confident | 73.9 | Confident | 98.8 Ų | 98.8 | 105.9 Ų | 105.9 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 174.8 | -166.7 | -157.1 | 139.5 | 0 | 0 | 111.7 | K1923 I1929 E1930 K1931 | K1923-E1927 VanDerWaalsContact O-CB 3.3Å; K1923-E1927 WeakPolarHBondContact O-CB 3.32Å; K1923-E1927 PolarHBondContact O-N 3.06Å; E1927-I1929 VanDerWaalsContact C-N 3.28Å; E1927-I1929 PolarHBondContact O-N 3.43Å; E1927-E1930 PolarHBondContact O-N 3.3Å; E1927-E1930 VanDerWaalsContact O-N 3.13Å; E1927-K1931 HydrophobicContact CG-CD 4.45Å; E1927-K1931 VanDerWaalsContact O-CB 3.31Å; E1927-K1931 WeakPolarHBondContact O-CB 3.35Å; E1927-K1931 WeakPolarHBondContact O-CG 3.41Å; E1927-K1931 PolarHBondContact O-N 3.14Å; E1927-K1931 IonicContact OE1-NZ 3.49Å; E1927-K1931 PolarHBondContact OE1-NZ 2.99Å |
| 1928 | W | 82.7 | Confident | 74.4 | Confident | 171 Ų | 171 | 103.6 Ų | 103.6 | 65% | 0.648 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | 178.6 | -174.1 | 75.2 | 0 | 0 | 0 | 112.5 | Q1924 V1925 E1926 K1931 S1932 | Q1924-W1928 VanDerWaalsContact O-CB 3.28Å; Q1924-W1928 WeakPolarHBondContact O-CB 3.41Å; Q1924-W1928 PolarHBondContact O-N 3.13Å; V1925-W1928 PolarHBondContact O-N 3.19Å; E1926-W1928 VanDerWaalsContact C-N 3.31Å; E1926-W1928 PolarHBondContact O-N 2.95Å; W1928-K1931 PolarHBondContact O-N 3.18Å; W1928-S1932 VanDerWaalsContact O-CB 3.25Å; W1928-S1932 WeakPolarHBondContact O-CB 3.33Å; W1928-S1932 PolarHBondContact O-N 3.1Å; W1928-S1932 PolarHBondContact O-OG 3.1Å |
| 1929 | I | 82 | Confident | 74.1 | Confident | 80 Ų | 80 | 106 Ų | 106 | 41% | 0.41 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 173.9 | -70.3 | 165.7 | 0 | 0 | 0 | 110.6 | V1925 E1926 E1927 K1931 S1932 Q1933 | V1925-I1929 HydrophobicContact CG1-CD1 3.82Å; V1925-I1929 HydrophobicContact CG1-CG1 4.47Å; V1925-I1929 WeakPolarHBondContact O-CB 3.33Å; V1925-I1929 WeakPolarHBondContact O-CD1 3.48Å; V1925-I1929 VanDerWaalsContact O-CG1 3.25Å; V1925-I1929 WeakPolarHBondContact O-CG1 3.35Å; V1925-I1929 PolarHBondContact O-N 3.1Å; E1926-I1929 PolarHBondContact O-N 2.9Å; E1927-I1929 VanDerWaalsContact C-N 3.28Å; E1927-I1929 PolarHBondContact O-N 3.43Å; I1929-K1931 PolarHBondContact O-N 3.05Å; I1929-S1932 CarbonylContact O-C 3.6Å; I1929-S1932 WeakPolarHBondContact O-CA 3.38Å; I1929-S1932 WeakPolarHBondContact O-CB 3.38Å; I1929-S1932 PolarHBondContact O-N 2.98Å; I1929-S1932 VanDerWaalsContact O-N 3.12Å; I1929-Q1933 VanDerWaalsContact CG2-NE2 3.3Å; I1929-Q1933 WeakPolarHBondContact O-CG 3.24Å; I1929-Q1933 PolarHBondContact O-N 3.18Å |
| 1930 | E | 84.5 | Confident | 73.3 | Confident | 141.2 Ų | 141.2 | 107.1 Ų | 107.1 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 178 | -175.5 | 175.2 | -152.9 | 0 | 0 | 111.3 | E1926 E1927 S1932 Q1933 A1934 | E1926-E1930 WeakPolarHBondContact O-CB 3.38Å; E1926-E1930 PolarHBondContact O-N 3.01Å; E1927-E1930 PolarHBondContact O-N 3.3Å; E1927-E1930 VanDerWaalsContact O-N 3.13Å; E1930-S1932 VanDerWaalsContact C-N 3.29Å; E1930-S1932 PolarHBondContact O-N 2.9Å; E1930-Q1933 PolarHBondContact O-N 3.18Å; E1930-Q1933 VanDerWaalsContact O-N 3.13Å; E1930-A1934 WeakPolarHBondContact O-CB 3.38Å; E1930-A1934 PolarHBondContact O-N 3.22Å |
| 1931 | K | 87.1 | Confident | 72.3 | Confident | 122.6 Ų | 122.6 | 108.2 Ų | 108.2 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -33.9 | 175.7 | -152 | 170.8 | -118.3 | 162.2 | 0 | 112.5 | E1927 W1928 I1929 A1934 V1935 | E1927-K1931 HydrophobicContact CG-CD 4.45Å; E1927-K1931 VanDerWaalsContact O-CB 3.31Å; E1927-K1931 WeakPolarHBondContact O-CB 3.35Å; E1927-K1931 WeakPolarHBondContact O-CG 3.41Å; E1927-K1931 PolarHBondContact O-N 3.14Å; E1927-K1931 IonicContact OE1-NZ 3.49Å; E1927-K1931 PolarHBondContact OE1-NZ 2.99Å; W1928-K1931 PolarHBondContact O-N 3.18Å; I1929-K1931 PolarHBondContact O-N 3.05Å; K1931-A1934 PolarHBondContact O-N 2.98Å; K1931-V1935 VanDerWaalsContact O-CG2 3.3Å; K1931-V1935 WeakPolarHBondContact O-CG2 3.35Å; K1931-V1935 PolarHBondContact O-N 3.21Å |
| 1932 | S | 74.7 | Confident | 71.8 | Confident | 38.8 Ų | 38.8 | 109.1 Ų | 109.1 | 27% | 0.271 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.7 | -43.5 | 174.1 | -64.1 | 0 | 0 | 0 | 0 | 112 | W1928 I1929 E1930 A1934 V1935 Y1936 | W1928-S1932 VanDerWaalsContact O-CB 3.25Å; W1928-S1932 WeakPolarHBondContact O-CB 3.33Å; W1928-S1932 PolarHBondContact O-N 3.1Å; W1928-S1932 PolarHBondContact O-OG 3.1Å; I1929-S1932 CarbonylContact O-C 3.6Å; I1929-S1932 WeakPolarHBondContact O-CA 3.38Å; I1929-S1932 WeakPolarHBondContact O-CB 3.38Å; I1929-S1932 PolarHBondContact O-N 2.98Å; I1929-S1932 VanDerWaalsContact O-N 3.12Å; E1930-S1932 VanDerWaalsContact C-N 3.29Å; E1930-S1932 PolarHBondContact O-N 2.9Å; S1932-A1934 VanDerWaalsContact C-N 3.35Å; S1932-A1934 PolarHBondContact O-N 3.2Å; S1932-V1935 PolarHBondContact O-N 3.05Å; S1932-V1935 VanDerWaalsContact O-N 3.16Å; S1932-Y1936 WeakPolarHBondContact O-CD2 3.36Å; S1932-Y1936 PolarHBondContact O-N 3.16Å |
| 1933 | Q | 77.6 | Confident | 70.1 | Confident | 118.4 Ų | 118.4 | 109.8 Ų | 109.8 | 55% | 0.553 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -39.2 | 175 | -73.4 | -178.6 | -9.2 | 0 | 0 | 111.7 | I1929 E1930 V1935 Y1936 N1937 | I1929-Q1933 VanDerWaalsContact CG2-NE2 3.3Å; I1929-Q1933 WeakPolarHBondContact O-CG 3.24Å; I1929-Q1933 PolarHBondContact O-N 3.18Å; E1930-Q1933 PolarHBondContact O-N 3.18Å; E1930-Q1933 VanDerWaalsContact O-N 3.13Å; Q1933-V1935 VanDerWaalsContact C-N 3.31Å; Q1933-V1935 PolarHBondContact O-N 3.25Å; Q1933-Y1936 PolarHBondContact O-N 3.12Å; Q1933-N1937 WeakPolarHBondContact O-CB 3.37Å; Q1933-N1937 VanDerWaalsContact O-CG 3.25Å; Q1933-N1937 PolarHBondContact O-N 3.29Å; Q1933-N1937 PolarHBondContact O-ND2 2.99Å; Q1933-N1937 VanDerWaalsContact O-ND2 3.12Å; Q1933-N1937 PolarHBondContact O-OD1 3.04Å |
| 1934 | A | 73.9 | Confident | 68.2 | Low | 58.4 Ų | 58.4 | 109.4 Ų | 109.4 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.6 | -37.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1930 K1931 S1932 N1937 A1938 | E1930-A1934 WeakPolarHBondContact O-CB 3.38Å; E1930-A1934 PolarHBondContact O-N 3.22Å; K1931-A1934 PolarHBondContact O-N 2.98Å; S1932-A1934 VanDerWaalsContact C-N 3.35Å; S1932-A1934 PolarHBondContact O-N 3.2Å; A1934-N1937 PolarHBondContact O-N 2.69Å; A1934-A1938 VanDerWaalsContact O-CB 3.25Å; A1934-A1938 WeakPolarHBondContact O-CB 3.3Å; A1934-A1938 PolarHBondContact O-N 3.18Å; A1934-A1938 VanDerWaalsContact O-N 3.12Å |
| 1935 | V | 70 | Confident | 66.2 | Low | 93.6 Ų | 93.6 | 108.8 Ų | 108.8 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.2 | -45.6 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | K1931 S1932 Q1933 N1937 A1938 E1939 | K1931-V1935 VanDerWaalsContact O-CG2 3.3Å; K1931-V1935 WeakPolarHBondContact O-CG2 3.35Å; K1931-V1935 PolarHBondContact O-N 3.21Å; S1932-V1935 PolarHBondContact O-N 3.05Å; S1932-V1935 VanDerWaalsContact O-N 3.16Å; Q1933-V1935 VanDerWaalsContact C-N 3.31Å; Q1933-V1935 PolarHBondContact O-N 3.25Å; V1935-N1937 VanDerWaalsContact C-N 3.33Å; V1935-N1937 PolarHBondContact O-N 3.12Å; V1935-A1938 WeakPolarHBondContact O-CB 3.34Å; V1935-A1938 PolarHBondContact O-N 3.11Å; V1935-A1938 VanDerWaalsContact O-N 3.12Å; V1935-E1939 WeakPolarHBondContact O-CB 3.46Å; V1935-E1939 PolarHBondContact O-N 3.21Å |
| 1936 | Y | 50 | Low | 64.1 | Low | 170.2 Ų | 170.2 | 112.3 Ų | 112.3 | 67% | 0.667 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.1 | -46.3 | 176.5 | -87.5 | -76.3 | 0 | 0 | 0 | 112.1 | S1932 Q1933 A1938 E1939 E1940 | S1932-Y1936 WeakPolarHBondContact O-CD2 3.36Å; S1932-Y1936 PolarHBondContact O-N 3.16Å; Q1933-Y1936 PolarHBondContact O-N 3.12Å; Y1936-A1938 VanDerWaalsContact C-N 3.3Å; Y1936-A1938 PolarHBondContact O-N 3.2Å; Y1936-E1939 CarbonylContact O-C 3.29Å; Y1936-E1939 PolarHBondContact O-N 3.25Å; Y1936-E1940 PolarHBondContact O-N 3.18Å; Y1936-E1940 VanDerWaalsContact O-N 3.14Å |
| 1937 | N | 64 | Low | 61.8 | Low | 98.4 Ų | 98.4 | 113.2 Ų | 113.2 | 53% | 0.526 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.8 | -36.8 | 177.9 | -67.2 | -15.9 | 0 | 0 | 0 | 111.9 | Q1933 A1934 V1935 E1939 E1940 V1941 | Q1933-N1937 WeakPolarHBondContact O-CB 3.37Å; Q1933-N1937 VanDerWaalsContact O-CG 3.25Å; Q1933-N1937 PolarHBondContact O-N 3.29Å; Q1933-N1937 PolarHBondContact O-ND2 2.99Å; Q1933-N1937 VanDerWaalsContact O-ND2 3.12Å; Q1933-N1937 PolarHBondContact O-OD1 3.04Å; A1934-N1937 PolarHBondContact O-N 2.69Å; V1935-N1937 VanDerWaalsContact C-N 3.33Å; V1935-N1937 PolarHBondContact O-N 3.12Å; N1937-E1939 VanDerWaalsContact C-N 3.32Å; N1937-E1939 PolarHBondContact O-N 2.92Å; N1937-E1940 PolarHBondContact O-N 3.34Å; N1937-V1941 VanDerWaalsContact O-CB 3.27Å; N1937-V1941 WeakPolarHBondContact O-CB 3.47Å; N1937-V1941 VanDerWaalsContact O-CG2 3.25Å; N1937-V1941 WeakPolarHBondContact O-CG2 3.34Å; N1937-V1941 PolarHBondContact O-N 3.13Å; N1937-V1941 VanDerWaalsContact O-N 3.14Å |
| 1938 | A | 61.8 | Low | 59.5 | Low | 63.4 Ų | 63.4 | 116.8 Ų | 116.8 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.5 | -33.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1934 V1935 Y1936 V1941 S1942 | A1934-A1938 VanDerWaalsContact O-CB 3.25Å; A1934-A1938 WeakPolarHBondContact O-CB 3.3Å; A1934-A1938 PolarHBondContact O-N 3.18Å; A1934-A1938 VanDerWaalsContact O-N 3.12Å; V1935-A1938 WeakPolarHBondContact O-CB 3.34Å; V1935-A1938 PolarHBondContact O-N 3.11Å; V1935-A1938 VanDerWaalsContact O-N 3.12Å; Y1936-A1938 VanDerWaalsContact C-N 3.3Å; Y1936-A1938 PolarHBondContact O-N 3.2Å; A1938-V1941 PolarHBondContact O-N 3.47Å; A1938-S1942 WeakPolarHBondContact O-CB 3.36Å; A1938-S1942 PolarHBondContact O-N 3.07Å; A1938-S1942 VanDerWaalsContact O-N 3.12Å |
| 1939 | E | 54.7 | Low | 57.2 | Low | 116.6 Ų | 116.6 | 112.7 Ų | 112.7 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.5 | -25.6 | 179.6 | -149.3 | -170.9 | 156.4 | 0 | 0 | 113.2 | V1935 Y1936 N1937 S1942 K1943 | V1935-E1939 WeakPolarHBondContact O-CB 3.46Å; V1935-E1939 PolarHBondContact O-N 3.21Å; Y1936-E1939 CarbonylContact O-C 3.29Å; Y1936-E1939 PolarHBondContact O-N 3.25Å; N1937-E1939 VanDerWaalsContact C-N 3.32Å; N1937-E1939 PolarHBondContact O-N 2.92Å; E1939-S1942 PolarHBondContact O-OG 3.24Å; E1939-K1943 VanDerWaalsContact CD-NZ 3.33Å; E1939-K1943 WeakPolarHBondContact O-CD 3.35Å; E1939-K1943 WeakPolarHBondContact O-CE 3.34Å; E1939-K1943 VanDerWaalsContact O-CG 3.32Å; E1939-K1943 WeakPolarHBondContact O-CG 3.46Å; E1939-K1943 PolarHBondContact O-NZ 3.15Å; E1939-K1943 WeakPolarHBondContact OE1-CE 3.5Å; E1939-K1943 IonicContact OE1-NZ 3.28Å; E1939-K1943 PolarHBondContact OE1-NZ 2.98Å |
| 1940 | E | 50.3 | Low | 54.9 | Low | 144 Ų | 144 | 116.7 Ų | 116.7 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.4 | -42.9 | 170.6 | -69.9 | -164.3 | 139.7 | 0 | 0 | 112.3 | Y1936 N1937 S1942 K1943 D1944 | Y1936-E1940 PolarHBondContact O-N 3.18Å; Y1936-E1940 VanDerWaalsContact O-N 3.14Å; N1937-E1940 PolarHBondContact O-N 3.34Å; E1940-S1942 VanDerWaalsContact C-N 3.28Å; E1940-S1942 PolarHBondContact O-N 3.03Å; E1940-S1942 VanDerWaalsContact O-N 3.11Å; E1940-K1943 WeakPolarHBondContact O-CA 3.29Å; E1940-K1943 WeakPolarHBondContact O-CB 3.36Å; E1940-K1943 PolarHBondContact O-N 3.07Å; E1940-K1943 VanDerWaalsContact O-N 3.13Å; E1940-D1944 PolarHBondContact O-N 2.79Å |
| 1941 | V | 51.4 | Low | 52.7 | Low | 104.4 Ų | 104.4 | 120.8 Ų | 120.8 | 63% | 0.633 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.8 | -25.9 | 176.4 | 171 | 0 | 0 | 0 | 0 | 112.3 | L1889 N1937 A1938 K1943 T1945 | L1889-V1941 HydrophobicContact CD1-CG2 3.62Å; N1937-V1941 VanDerWaalsContact O-CB 3.27Å; N1937-V1941 WeakPolarHBondContact O-CB 3.47Å; N1937-V1941 VanDerWaalsContact O-CG2 3.25Å; N1937-V1941 WeakPolarHBondContact O-CG2 3.34Å; N1937-V1941 PolarHBondContact O-N 3.13Å; N1937-V1941 VanDerWaalsContact O-N 3.14Å; A1938-V1941 PolarHBondContact O-N 3.47Å; V1941-K1943 VanDerWaalsContact C-N 3.29Å; V1941-K1943 PolarHBondContact O-N 3.09Å; V1941-T1945 WeakPolarHBondContact O-CB 3.45Å; V1941-T1945 PolarHBondContact O-N 3.46Å; V1941-T1945 PolarHBondContact O-OG1 2.84Å |
| 1942 | S | 49.1 | Very low | 50.4 | Low | 92 Ų | 92 | 122.6 Ų | 122.6 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -8.3 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 115.1 | A1938 E1939 E1940 | A1938-S1942 WeakPolarHBondContact O-CB 3.36Å; A1938-S1942 PolarHBondContact O-N 3.07Å; A1938-S1942 VanDerWaalsContact O-N 3.12Å; E1939-S1942 PolarHBondContact O-OG 3.24Å; E1940-S1942 VanDerWaalsContact C-N 3.28Å; E1940-S1942 PolarHBondContact O-N 3.03Å; E1940-S1942 VanDerWaalsContact O-N 3.11Å |
| 1943 | K | 45.7 | Very low | 48.6 | Very low | 142.6 Ų | 142.6 | 127.5 Ų | 127.5 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -9 | -170.5 | -69.5 | 177.2 | -174.1 | 126.9 | 0 | 115.4 | E1939 E1940 V1941 T1945 | E1939-K1943 VanDerWaalsContact CD-NZ 3.33Å; E1939-K1943 WeakPolarHBondContact O-CD 3.35Å; E1939-K1943 WeakPolarHBondContact O-CE 3.34Å; E1939-K1943 VanDerWaalsContact O-CG 3.32Å; E1939-K1943 WeakPolarHBondContact O-CG 3.46Å; E1939-K1943 PolarHBondContact O-NZ 3.15Å; E1939-K1943 WeakPolarHBondContact OE1-CE 3.5Å; E1939-K1943 IonicContact OE1-NZ 3.28Å; E1939-K1943 PolarHBondContact OE1-NZ 2.98Å; E1940-K1943 WeakPolarHBondContact O-CA 3.29Å; E1940-K1943 WeakPolarHBondContact O-CB 3.36Å; E1940-K1943 PolarHBondContact O-N 3.07Å; E1940-K1943 VanDerWaalsContact O-N 3.13Å; V1941-K1943 VanDerWaalsContact C-N 3.29Å; V1941-K1943 PolarHBondContact O-N 3.09Å; K1943-T1945 VanDerWaalsContact C-N 3.32Å; K1943-T1945 PolarHBondContact O-N 3.29Å |
| 1944 | D | 41.5 | Very low | 46.7 | Very low | 137.2 Ų | 137.2 | 128.1 Ų | 128.1 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -117.5 | 57.4 | -176.2 | -116.5 | -16.3 | 0 | 0 | 0 | 113.1 | I1887 E1940 D1946 T1947 | I1887-D1944 WeakPolarHBondContact CG1-OD1 3.44Å; I1887-D1944 HydrophobicContact CG2-CB 3.71Å; E1940-D1944 PolarHBondContact O-N 2.79Å; D1944-D1946 VanDerWaalsContact C-N 3.25Å; D1944-D1946 PolarHBondContact O-N 2.72Å; D1944-T1947 PolarHBondContact O-N 2.88Å |
| 1945 | T | 39.1 | Very low | 45.2 | Very low | 111.8 Ų | 111.8 | 133.4 Ų | 133.4 | 69% | 0.686 | 69% | 0.686 | S | S | * | * | trans | -137.1 | 69.9 | 176.9 | -42.1 | 0 | 0 | 0 | 0 | 114.3 | V1941 K1943 T1947 | V1941-T1945 WeakPolarHBondContact O-CB 3.45Å; V1941-T1945 PolarHBondContact O-N 3.46Å; V1941-T1945 PolarHBondContact O-OG1 2.84Å; K1943-T1945 VanDerWaalsContact C-N 3.32Å; K1943-T1945 PolarHBondContact O-N 3.29Å; T1945-T1947 VanDerWaalsContact C-N 3.3Å; T1945-T1947 PolarHBondContact O-N 3.26Å; T1945-T1947 VanDerWaalsContact O-N 3.14Å | ||
| 1946 | D | 36.8 | Very low | 43.7 | Very low | 155.2 Ų | 155.2 | 137.4 Ų | 137.4 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | trans | -114.4 | 58.4 | 164.8 | -127.8 | -2.2 | 0 | 0 | 0 | 114.4 | I1887 D1944 | I1887-D1946 VanDerWaalsContact CD1-C 3.42Å; I1887-D1946 WeakPolarHBondContact CD1-O 3Å; D1944-D1946 VanDerWaalsContact C-N 3.25Å; D1944-D1946 PolarHBondContact O-N 2.72Å | ||
| 1947 | T | 35.6 | Very low | 42.9 | Very low | 117.6 Ų | 117.6 | 137.1 Ų | 137.1 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -140.1 | 96.7 | 162.8 | -46.3 | 0 | 0 | 0 | 0 | 112.1 | Y1888 D1944 T1945 | Y1888-T1947 WeakPolarHBondContact CE2-O 3.16Å; D1944-T1947 PolarHBondContact O-N 2.88Å; T1945-T1947 VanDerWaalsContact C-N 3.3Å; T1945-T1947 PolarHBondContact O-N 3.26Å; T1945-T1947 VanDerWaalsContact O-N 3.14Å | ||
| 1948 | Q | 36.8 | Very low | 41.7 | Very low | 176.4 Ų | 176.4 | 138.4 Ų | 138.4 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -131.1 | 141.3 | 165.5 | -99.7 | 170.5 | 69.7 | 0 | 0 | 114 | ||||
| 1949 | A | 34.6 | Very low | 40.5 | Very low | 84.8 Ų | 84.8 | 143 Ų | 143 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -105.1 | 140.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1951 | A1949-R1951 PolarHBondContact O-N 2.79Š| ||
| 1950 | L | 33 | Very low | 39.7 | Very low | 162.8 Ų | 162.8 | 144.6 Ų | 144.6 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | trans | -115.8 | 126.1 | 161.1 | -134.6 | 93.9 | 0 | 0 | 0 | 112.4 | ||||
| 1951 | R | 38.6 | Very low | 39.1 | Very low | 228.2 Ų | 228.2 | 144.7 Ų | 144.7 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -151.4 | 139.2 | 159.3 | -74.7 | -177.7 | 176.7 | 179.5 | -1.7 | 111.3 | A1949 | A1949-R1951 PolarHBondContact O-N 2.79Š| ||
| 1952 | K | 38.4 | Very low | 38.4 | Very low | 159.4 Ų | 159.4 | 144.6 Ų | 144.6 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | trans | -135.2 | 150.1 | 149 | -70.1 | -179.6 | 159.8 | -141.5 | 0 | 113 | S1538 P1539 M1540 Q1541 | S1538-K1952 WeakPolarHBondContact OG-CD 3.48Å; S1538-K1952 VanDerWaalsContact OG-CE 3.26Å; S1538-K1952 WeakPolarHBondContact OG-CE 3.2Å; S1538-K1952 PolarHBondContact OG-NZ 3.45Å; P1539-K1952 WeakPolarHBondContact O-CD 3.48Å; P1539-K1952 PolarHBondContact O-NZ 2.85Å; M1540-K1952 WeakPolarHBondContact O-CB 3.36Å; Q1541-K1952 WeakPolarHBondContact CA-O 3.44Å | ||
| 1953 | E | 37.1 | Very low | 37.8 | Very low | 141.4 Ų | 141.4 | 145 Ų | 145 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | trans | 75.1 | 128.8 | 149.1 | -95.7 | 153 | -153.3 | 0 | 0 | 116 | M1540 Q1541 | M1540-E1953 VanDerWaalsContact C-CB 3.4Å; M1540-E1953 WeakPolarHBondContact CA-OE1 3.18Å; M1540-E1953 VanDerWaalsContact CB-OE1 3.23Å; M1540-E1953 WeakPolarHBondContact CB-OE1 3.44Å; M1540-E1953 WeakPolarHBondContact CE-OE1 3.46Å; M1540-E1953 HydrophobicContact CG-CG 4.41Å; M1540-E1953 VanDerWaalsContact CG-OE1 3.23Å; M1540-E1953 WeakPolarHBondContact CG-OE1 3.43Å; Q1541-E1953 WeakPolarHBondContact CA-OE1 3.44Å; Q1541-E1953 HydrophobicContact CB-CB 4.1Å; Q1541-E1953 HydrophobicContact CB-CG 4.34Å; Q1541-E1953 WeakPolarHBondContact CB-OE1 3.45Å; Q1541-E1953 HydrophobicContact CG-CB 3.81Å; Q1541-E1953 HydrophobicContact CG-CG 3.91Å; Q1541-E1953 VanDerWaalsContact CG-OE1 3.27Å; Q1541-E1953 WeakPolarHBondContact CG-OE1 3.16Å; Q1541-E1953 PolarHBondContact N-OE1 2.77Å; Q1541-E1953 VanDerWaalsContact NE2-CD 3.29Å; Q1541-E1953 PolarHBondContact NE2-OE2 3.38Å | ||
| 1954 | D | 38.6 | Very low | 37.4 | Very low | 130.8 Ų | 130.8 | 144.6 Ų | 144.6 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | cis | -146.6 | 158.6 | 6.5 | -119.7 | -26.4 | 0 | 0 | 0 | 111 | ||||
| 1955 | K | 42 | Very low | 37.1 | Very low | 170.2 Ų | 170.2 | 144.6 Ų | 144.6 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | trans | -75.9 | 125.6 | 172.6 | -60.7 | 161.3 | 179.4 | 164.5 | 0 | 114.2 | ||||
| 1956 | Q | 39.3 | Very low | 37.1 | Very low | 178.2 Ų | 178.2 | 146.5 Ų | 146.5 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | -145.5 | 134 | 110.7 | -91.8 | -179.6 | -13.6 | 0 | 0 | 111.9 | |||||
| 1957 | H | 33.1 | Very low | 36.9 | Very low | 163.6 Ų | 163.6 | 142.3 Ų | 142.3 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -70 | 142.4 | 163.1 | -83.7 | -115.5 | 0 | 0 | 0 | 112.7 | E1896 | E1896-H1957 IonicContact OE1-CE1 3.27Å; E1896-H1957 PolarHBondContact OE1-CE1 2.91Å | ||
| 1958 | T | 37.8 | Very low | 37 | Very low | 125.4 Ų | 125.4 | 145.2 Ų | 145.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -153.3 | 123.2 | 144.7 | -64.1 | 0 | 0 | 0 | 0 | 108.5 | I1960 | T1958-I1960 HydrophobicContact CG2-CG1 4.3Å; T1958-I1960 PolarHBondContact O-N 3.24Å | ||
| 1959 | E | 36.1 | Very low | 36.9 | Very low | 159.6 Ų | 159.6 | 144.3 Ų | 144.3 | 75% | 0.746 | 76% | 0.762 | S | S | * | * | trans | -85.1 | 142 | 175.9 | -61.4 | 172.6 | 120.4 | 0 | 0 | 110.5 | ||||
| 1960 | I | 39.4 | Very low | 37.1 | Very low | 151.6 Ų | 151.6 | 148.2 Ų | 148.2 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -129.7 | 107.4 | 164.1 | -57.2 | -177.4 | 0 | 0 | 0 | 108.3 | T1958 S1962 | T1958-I1960 HydrophobicContact CG2-CG1 4.3Å; T1958-I1960 PolarHBondContact O-N 3.24Å; I1960-S1962 PolarHBondContact O-N 3.18Å | ||
| 1961 | N | 37.5 | Very low | 37.2 | Very low | 146.2 Ų | 146.2 | 146.8 Ų | 146.8 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -95.3 | 119.7 | 174.4 | -76.4 | -51.4 | 0 | 0 | 0 | 110.8 | ||||
| 1962 | S | 36.4 | Very low | 37.1 | Very low | 102.6 Ų | 102.6 | 141.5 Ų | 141.5 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | -158.3 | 107.2 | 163.2 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | I1960 V1964 | I1960-S1962 PolarHBondContact O-N 3.18Å; S1962-V1964 PolarHBondContact O-N 3.13Å; S1962-V1964 VanDerWaalsContact O-N 3.17Å | ||
| 1963 | A | 35.3 | Very low | 36.9 | Very low | 100.2 Ų | 100.2 | 140.9 Ų | 140.9 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | -53.7 | 122.9 | 126.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1965 | A1963-D1965 PolarHBondContact O-N 2.05Š| |||
| 1964 | V | 37.5 | Very low | 36.8 | Very low | 134.2 Ų | 134.2 | 140.3 Ų | 140.3 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -150.1 | 117.2 | 164.6 | 172.8 | 0 | 0 | 0 | 0 | 108.7 | S1962 L1966 | S1962-V1964 PolarHBondContact O-N 3.13Å; S1962-V1964 VanDerWaalsContact O-N 3.17Å; V1964-L1966 HydrophobicContact CG1-CB 4.37Å; V1964-L1966 HydrophobicContact CG1-CD1 4Å; V1964-L1966 HydrophobicContact CG1-CG 4.01Å; V1964-L1966 PolarHBondContact O-N 3.23Å; V1964-L1966 VanDerWaalsContact O-N 3.1Å | ||
| 1965 | D | 36.3 | Very low | 36.8 | Very low | 136.6 Ų | 136.6 | 141.5 Ų | 141.5 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -136.8 | 139.1 | -39.7 | -166 | 7.4 | 0 | 0 | 0 | 110.4 | A1963 G1967 | A1963-D1965 PolarHBondContact O-N 2.05Å; D1965-G1967 PolarHBondContact OD1-N 3.04Å | ||
| 1966 | L | 38.5 | Very low | 36.4 | Very low | 152.4 Ų | 152.4 | 139.1 Ų | 139.1 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -29.3 | 114.4 | 169.8 | -64.8 | 173.7 | 0 | 0 | 0 | 114.7 | V1964 H1968 | V1964-L1966 HydrophobicContact CG1-CB 4.37Å; V1964-L1966 HydrophobicContact CG1-CD1 4Å; V1964-L1966 HydrophobicContact CG1-CG 4.01Å; V1964-L1966 PolarHBondContact O-N 3.23Å; V1964-L1966 VanDerWaalsContact O-N 3.1Å; L1966-H1968 PolarHBondContact O-N 2.87Å | ||
| 1967 | G | 32.9 | Very low | 36.2 | Very low | 65.2 Ų | 65.2 | 138.5 Ų | 138.5 | 67% | 0.672 | 76% | 0.755 | S | S | * | * | trans | -108 | 120.2 | 143.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1965 | D1965-G1967 PolarHBondContact OD1-N 3.04Š| ||
| 1968 | H | 37.4 | Very low | 36 | Very low | 178.6 Ų | 178.6 | 138.4 Ų | 138.4 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -141 | 113 | 161 | -128.9 | 63.2 | 0 | 0 | 0 | 109.9 | L1966 H1970 | L1966-H1968 PolarHBondContact O-N 2.87Å; H1968-H1970 VanDerWaalsContact C-N 3.27Å; H1968-H1970 PolarHBondContact O-N 3.05Å | ||
| 1969 | E | 34.9 | Very low | 35.9 | Very low | 157.6 Ų | 157.6 | 136.7 Ų | 136.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -69 | 127 | 152 | -66.2 | -155.9 | 150.3 | 0 | 0 | 110.6 | N1971 | E1969-N1971 PolarHBondContact O-N 3.33Å; E1969-N1971 PolarHBondContact OE2-ND2 3.43Å | ||
| 1970 | H | 39.2 | Very low | 35.7 | Very low | 167.2 Ų | 167.2 | 133.9 Ų | 133.9 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | trans | -138.9 | 95.3 | 147.1 | -133.2 | -62 | 0 | 0 | 0 | 111.5 | H1968 V1972 | H1968-H1970 VanDerWaalsContact C-N 3.27Å; H1968-H1970 PolarHBondContact O-N 3.05Å; H1970-V1972 HydrophobicContact CB-CG2 4.33Å; H1970-V1972 WeakPolarHBondContact ND1-CG2 3.39Å; H1970-V1972 PolarHBondContact O-N 3.11Å | ||
| 1971 | N | 34.1 | Very low | 35.4 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | -70.4 | 119.1 | 164.4 | -80.9 | -66.8 | 0 | 0 | 0 | 109.8 | E1969 E1973 | E1969-N1971 PolarHBondContact O-N 3.33Å; E1969-N1971 PolarHBondContact OE2-ND2 3.43Å; N1971-E1973 VanDerWaalsContact C-N 3.29Å; N1971-E1973 PolarHBondContact O-N 3.05Å; N1971-E1973 VanDerWaalsContact O-N 3.13Å | ||
| 1972 | V | 37.8 | Very low | 35.2 | Very low | 117.4 Ų | 117.4 | 137.5 Ų | 137.5 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | -121.5 | 96.2 | 154.2 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | H1970 T1974 | H1970-V1972 HydrophobicContact CB-CG2 4.33Å; H1970-V1972 WeakPolarHBondContact ND1-CG2 3.39Å; H1970-V1972 PolarHBondContact O-N 3.11Å; V1972-T1974 VanDerWaalsContact C-N 3.25Å; V1972-T1974 PolarHBondContact O-N 3.32Å | ||
| 1973 | E | 33.9 | Very low | 34.9 | Very low | 145.6 Ų | 145.6 | 137.6 Ų | 137.6 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | -47.6 | 116.4 | 151.7 | -171.5 | -164.4 | 169 | 0 | 0 | 112.2 | N1971 K1975 H1977 | N1971-E1973 VanDerWaalsContact C-N 3.29Å; N1971-E1973 PolarHBondContact O-N 3.05Å; N1971-E1973 VanDerWaalsContact O-N 3.13Å; E1973-K1975 HydrophobicContact CB-CG 4.45Å; E1973-K1975 HydrophobicContact CG-CG 4.06Å; E1973-K1975 PolarHBondContact O-N 2.62Å; E1973-K1975 WeakPolarHBondContact OE1-CE 3.39Å; E1973-K1975 WeakPolarHBondContact OE1-CG 3.38Å; E1973-K1975 IonicContact OE1-NZ 3.42Å; E1973-K1975 PolarHBondContact OE1-NZ 2.87Å; E1973-K1975 WeakPolarHBondContact OE2-CE 3.21Å; E1973-K1975 IonicContact OE2-NZ 3.03Å; E1973-K1975 PolarHBondContact OE2-NZ 3.15Å; E1973-H1977 IonicContact OE1-ND1 2.8Å | ||
| 1974 | T | 35.3 | Very low | 34.9 | Very low | 128.8 Ų | 128.8 | 140.8 Ų | 140.8 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -124.5 | 105.4 | 160.1 | 9 | 0 | 0 | 0 | 0 | 112.4 | V1972 P1976 | V1972-T1974 VanDerWaalsContact C-N 3.25Å; V1972-T1974 PolarHBondContact O-N 3.32Å; T1974-P1976 WeakPolarHBondContact O-CD 3.48Å | ||
| 1975 | K | 37.5 | Very low | 34.6 | Very low | 155.4 Ų | 155.4 | 139.3 Ų | 139.3 | 68% | 0.676 | 74% | 0.743 | S | S | * | * | trans | -29.9 | 125.3 | 166.9 | -68.5 | 178.4 | 178.5 | 159.8 | 0 | 116 | E1973 H1977 | E1973-K1975 HydrophobicContact CB-CG 4.45Å; E1973-K1975 HydrophobicContact CG-CG 4.06Å; E1973-K1975 PolarHBondContact O-N 2.62Å; E1973-K1975 WeakPolarHBondContact OE1-CE 3.39Å; E1973-K1975 WeakPolarHBondContact OE1-CG 3.38Å; E1973-K1975 IonicContact OE1-NZ 3.42Å; E1973-K1975 PolarHBondContact OE1-NZ 2.87Å; E1973-K1975 WeakPolarHBondContact OE2-CE 3.21Å; E1973-K1975 IonicContact OE2-NZ 3.03Å; E1973-K1975 PolarHBondContact OE2-NZ 3.15Å; K1975-H1977 HydrophobicContact CB-CB 3.49Å; K1975-H1977 VanDerWaalsContact CB-CB 3.49Å; K1975-H1977 WeakPolarHBondContact CB-O 3.47Å; K1975-H1977 HydrophobicContact CD-CB 4.08Å; K1975-H1977 WeakPolarHBondContact CD-O 3.36Å; K1975-H1977 HydrophobicContact CG-CB 3.57Å; K1975-H1977 PolarHBondContact O-N 3.03Å; K1975-H1977 VanDerWaalsContact O-N 3.11Å | ||
| 1976 | P | 33.2 | Very low | 34.4 | Very low | 120.8 Ų | 120.8 | 138.5 Ų | 138.5 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | -80.6 | 124.9 | 161.7 | 34.6 | -33.1 | 0 | 0 | 0 | 111.1 | T1974 | T1974-P1976 WeakPolarHBondContact O-CD 3.48Š| ||
| 1977 | H | 35.2 | Very low | 34.2 | Very low | 164.8 Ų | 164.8 | 136.4 Ų | 136.4 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -140.8 | 116.6 | 170.8 | -130.7 | -93.2 | 0 | 0 | 0 | 109.9 | E1973 K1975 | E1973-H1977 IonicContact OE1-ND1 2.8Å; K1975-H1977 HydrophobicContact CB-CB 3.49Å; K1975-H1977 VanDerWaalsContact CB-CB 3.49Å; K1975-H1977 WeakPolarHBondContact CB-O 3.47Å; K1975-H1977 HydrophobicContact CD-CB 4.08Å; K1975-H1977 WeakPolarHBondContact CD-O 3.36Å; K1975-H1977 HydrophobicContact CG-CB 3.57Å; K1975-H1977 PolarHBondContact O-N 3.03Å; K1975-H1977 VanDerWaalsContact O-N 3.11Å | ||
| 1978 | M | 30.6 | Very low | 34.2 | Very low | 161.2 Ų | 161.2 | 139.4 Ų | 139.4 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | 93.4 | 140.3 | 82 | -77.5 | -93.4 | -79.8 | 0 | 0 | 114.7 | |||||
| 1979 | A | 34.1 | Very low | 33.9 | Very low | 90.4 Ų | 90.4 | 139.2 Ų | 139.2 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | trans | 103.2 | 136.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1980 | S | 33.5 | Very low | 33.9 | Very low | 101.4 Ų | 101.4 | 142.3 Ų | 142.3 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | 72.4 | 135.1 | 62.7 | -172.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1981 | E | 33.3 | Very low | 33.6 | Very low | 156.6 Ų | 156.6 | 139.2 Ų | 139.2 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | 168.5 | 131.8 | 82.1 | -110.3 | 167.6 | 149.7 | 0 | 0 | 114.6 | |||||
| 1982 | R | 31.9 | Very low | 33.8 | Very low | 217.2 Ų | 217.2 | 138.5 Ų | 138.5 | 82% | 0.82 | 73% | 0.731 | S | S | * | * | trans | 102.1 | 120.6 | 137.7 | -87 | 172.3 | 172.4 | 161.9 | -6.3 | 114.8 | ||||
| 1983 | S | 31.6 | Very low | 33.5 | Very low | 104.6 Ų | 104.6 | 143.1 Ų | 143.1 | 73% | 0.731 | 74% | 0.736 | S | S | * | * | trans | 74.3 | 137.3 | 135.4 | 46.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1984 | Q | 33.3 | Very low | 33.4 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | cis | 150.3 | 126.6 | 27.2 | -148.7 | 172.5 | -22.3 | 0 | 0 | 110.7 | ||||
| 1985 | T | 31.5 | Very low | 33.2 | Very low | 102.4 Ų | 102.4 | 142.1 Ų | 142.1 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | trans | 70.8 | 135 | 141.2 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | K1592 | K1592-T1985 WeakPolarHBondContact CE-O 3.2Å; K1592-T1985 PolarHBondContact NZ-O 3.15Å; K1592-T1985 PolarHBondContact NZ-OG1 3.5Å | ||
| 1986 | D | 33 | Very low | 32.9 | Very low | 120.6 Ų | 120.6 | 138.7 Ų | 138.7 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | trans | 147.8 | 155.2 | 143.9 | -79.5 | -35.6 | 0 | 0 | 0 | 116.7 | K1592 P2561 S2562 | K1592-D1986 WeakPolarHBondContact CE-O 3.43Å; K1592-D1986 WeakPolarHBondContact CG-O 3.35Å; D1986-P2561 WeakPolarHBondContact OD1-CB 3.45Å; D1986-S2562 VanDerWaalsContact OD2-C 3.29Å; D1986-S2562 VanDerWaalsContact OD2-CA 3.24Å; D1986-S2562 WeakPolarHBondContact OD2-CA 3.33Å; D1986-S2562 PolarHBondContact OD2-N 2.81Å | ||
| 1987 | L | 33.8 | Very low | 33 | Very low | 107.4 Ų | 107.4 | 138.6 Ų | 138.6 | 56% | 0.562 | 73% | 0.726 | S | S | * | * | 134.4 | 139.5 | 128.1 | -120.8 | 78 | 0 | 0 | 0 | 116.4 | L1591 K1592 A1593 P2561 H2563 | L1591-L1987 VanDerWaalsContact O-CD2 3.27Å; L1591-L1987 WeakPolarHBondContact O-CD2 3.45Å; K1592-L1987 HydrophobicContact CB-CD1 4.37Å; K1592-L1987 HydrophobicContact CG-CD1 4.14Å; A1593-L1987 HydrophobicContact CB-CD1 3.47Å; A1593-L1987 VanDerWaalsContact CB-CD1 3.47Å; L1987-P2561 HydrophobicContact CD1-CB 3.28Å; L1987-P2561 HydrophobicContact CD1-CG 3.37Å; L1987-H2563 WeakPolarHBondContact CB-CE1 3.39Å; L1987-H2563 WeakPolarHBondContact CB-NE2 3.49Å; L1987-H2563 HydrophobicContact CD2-CB 4.42Å; L1987-H2563 WeakPolarHBondContact CD2-CD2 3.09Å | |||
| 1988 | I | 32.4 | Very low | 32.8 | Very low | 128.6 Ų | 128.6 | 135.8 Ų | 135.8 | 66% | 0.659 | 73% | 0.725 | S | S | * | * | trans | -93.7 | 124.2 | 140.6 | -78.3 | 163.1 | 0 | 0 | 0 | 113 | R1990 | I1988-R1990 HydrophobicContact CG2-CG 4.09Š| ||
| 1989 | Q | 32.7 | Very low | 33 | Very low | 173.6 Ų | 173.6 | 135.6 Ų | 135.6 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | -95.2 | 156.8 | 151.2 | -69.3 | 179.9 | -3.7 | 0 | 0 | 113.6 | ||||
| 1990 | R | 34.4 | Very low | 33.2 | Very low | 223.4 Ų | 223.4 | 137 Ų | 137 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -130.5 | 119 | 174.2 | -76.9 | 170.1 | 178.3 | 152.9 | -1.3 | 112.9 | I1988 P1992 | I1988-R1990 HydrophobicContact CG2-CG 4.09Å; R1990-P1992 WeakPolarHBondContact O-CD 3.49Å | ||
| 1991 | S | 33.3 | Very low | 33 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | 8.6 | 122.6 | 126.3 | -169.1 | 0 | 0 | 0 | 0 | 114 | R1993 | S1991-R1993 PolarHBondContact OG-N 2.9Å; S1991-R1993 VanDerWaalsContact OG-N 3.09Å | |||
| 1992 | P | 36.4 | Very low | 32.9 | Very low | 118.2 Ų | 118.2 | 136.9 Ų | 136.9 | 77% | 0.768 | 73% | 0.732 | S | S | * | * | -94.5 | 140.6 | 129.8 | 34.1 | -30 | 0 | 0 | 0 | 111.5 | R1990 | R1990-P1992 WeakPolarHBondContact O-CD 3.49Š| |||
| 1993 | R | 33.3 | Very low | 32.7 | Very low | 214.6 Ų | 214.6 | 131.4 Ų | 131.4 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | 66.3 | 122.3 | 126.7 | -166.4 | 169.1 | -174.8 | 149.9 | 0.8 | 113.2 | S1991 | S1991-R1993 PolarHBondContact OG-N 2.9Å; S1991-R1993 VanDerWaalsContact OG-N 3.09Å | |||
| 1994 | S | 30.5 | Very low | 32.9 | Very low | 81.2 Ų | 81.2 | 134.7 Ų | 134.7 | 57% | 0.568 | 73% | 0.729 | S | S | * | * | trans | 32.9 | 137.6 | 168.3 | 38.1 | 0 | 0 | 0 | 0 | 115.1 | S1996 | S1994-S1996 PolarHBondContact O-N 3.42Š| ||
| 1995 | H | 32.3 | Very low | 32.8 | Very low | 171.8 Ų | 171.8 | 131.3 Ų | 131.3 | 80% | 0.795 | 72% | 0.724 | S | S | * | * | -140 | 131.2 | 92.9 | -86.8 | -72.4 | 0 | 0 | 0 | 111.7 | P1997 | H1995-P1997 WeakPolarHBondContact O-CD 3.19Š| |||
| 1996 | S | 30.9 | Very low | 32.8 | Very low | 84.6 Ų | 84.6 | 133.3 Ų | 133.3 | 59% | 0.592 | 73% | 0.729 | S | S | * | * | trans | -104.2 | 133.5 | 163 | -11.6 | 0 | 0 | 0 | 0 | 110.7 | S1994 S1998 | S1994-S1996 PolarHBondContact O-N 3.42Å; S1996-S1998 WeakPolarHBondContact CB-OG 3.49Å; S1996-S1998 PolarHBondContact O-N 3.42Å; S1996-S1998 VanDerWaalsContact O-N 3.07Å; S1996-S1998 PolarHBondContact O-OG 2.94Å; S1996-S1998 PolarHBondContact OG-OG 3.18Å | ||
| 1997 | P | 35.5 | Very low | 32.9 | Very low | 117.8 Ų | 117.8 | 135.5 Ų | 135.5 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -103.7 | 101.4 | 160.4 | 32.1 | -23.6 | 0 | 0 | 0 | 109.9 | H1995 L1999 | H1995-P1997 WeakPolarHBondContact O-CD 3.19Å; P1997-L1999 PolarHBondContact O-N 2.84Å | ||
| 1998 | S | 31 | Very low | 32.8 | Very low | 106.6 Ų | 106.6 | 138.1 Ų | 138.1 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | 34.2 | 114.7 | 128.9 | -46.4 | 0 | 0 | 0 | 0 | 113.4 | S1996 P2000 | S1996-S1998 WeakPolarHBondContact CB-OG 3.49Å; S1996-S1998 PolarHBondContact O-N 3.42Å; S1996-S1998 VanDerWaalsContact O-N 3.07Å; S1996-S1998 PolarHBondContact O-OG 2.94Å; S1996-S1998 PolarHBondContact OG-OG 3.18Å; S1998-P2000 WeakPolarHBondContact O-CD 3.44Å | |||
| 1999 | L | 33.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -49.4 | 130.4 | 167.8 | -67.9 | 167.2 | 0 | 0 | 0 | 112.9 | P1997 L2001 | P1997-L1999 PolarHBondContact O-N 2.84Å; L1999-L2001 VanDerWaalsContact C-N 3.29Å; L1999-L2001 HydrophobicContact CB-CB 4.41Å; L1999-L2001 HydrophobicContact CB-CG 3.86Å; L1999-L2001 HydrophobicContact CD1-CD2 4.21Å; L1999-L2001 HydrophobicContact CD1-CG 4Å; L1999-L2001 PolarHBondContact O-N 2.65Å | ||
| 2000 | P | 39.5 | Very low | 32.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -94.8 | 114.5 | 138 | 31.3 | -29.2 | 0 | 0 | 0 | 109.5 | S1998 S2002 | S1998-P2000 WeakPolarHBondContact O-CD 3.44Å; P2000-S2002 PolarHBondContact O-N 2.84Å | ||
| 2001 | L | 29.2 | Very low | 32.8 | Very low | 150.75 Ų | 150.75 | 126.8 Ų | 126.8 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | -5.8 | 108.1 | 113.7 | -70.5 | 173.5 | 0 | 0 | 0 | 112.1 | L1999 | L1999-L2001 VanDerWaalsContact C-N 3.29Å; L1999-L2001 HydrophobicContact CB-CB 4.41Å; L1999-L2001 HydrophobicContact CB-CG 3.86Å; L1999-L2001 HydrophobicContact CD1-CD2 4.21Å; L1999-L2001 HydrophobicContact CD1-CG 4Å; L1999-L2001 PolarHBondContact O-N 2.65Å | |||
| 2002 | S | 30.5 | Very low | 32.8 | Very low | 104.5 Ų | 104.5 | 128.4 Ų | 128.4 | 73% | 0.731 | 74% | 0.741 | S | S | * | * | trans | 139.4 | 112.6 | 147.9 | -132.4 | 0 | 0 | 0 | 0 | 113.9 | P2000 H2004 | P2000-S2002 PolarHBondContact O-N 2.84Å; S2002-H2004 PolarHBondContact O-N 2.96Å | ||
| 2003 | C | 28.5 | Very low | 32.6 | Very low | 102.25 Ų | 102.25 | 130.4 Ų | 130.4 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | -87.3 | 118.2 | 84.1 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 2004 | H | 34.8 | Very low | 32.3 | Very low | 173.5 Ų | 173.5 | 124.9 Ų | 124.9 | 80% | 0.803 | 74% | 0.739 | S | S | * | * | -174 | 130.9 | 71.5 | -78 | -41.3 | 0 | 0 | 0 | 109.7 | S2002 | S2002-H2004 PolarHBondContact O-N 2.96Š| |||
| 2005 | S | 31.9 | Very low | 32.3 | Very low | 96.5 Ų | 96.5 | 129.9 Ų | 129.9 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | cis | 166.8 | 123.4 | 34.9 | -82.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2006 | I | 32.2 | Very low | 32.2 | Very low | 143.75 Ų | 143.75 | 126.5 Ų | 126.5 | 74% | 0.737 | 75% | 0.747 | S | S | * | * | trans | 40.8 | 133.9 | 153.6 | -58.3 | 159.7 | 0 | 0 | 0 | 112.6 | L2008 | I2006-L2008 HydrophobicContact CG2-CD1 4.48Å; I2006-L2008 HydrophobicContact CG2-CG 4.45Å | ||
| 2007 | E | 34.2 | Very low | 32.2 | Very low | 165.5 Ų | 165.5 | 127.7 Ų | 127.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | -149.7 | 135 | 27.9 | -117.6 | 151.4 | -176.6 | 0 | 0 | 108 | ||||
| 2008 | L | 33 | Very low | 32 | Very low | 163.25 Ų | 163.25 | 128.9 Ų | 128.9 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | 67.9 | 112 | 62.4 | -80.6 | 170.9 | 0 | 0 | 0 | 116.2 | I2006 | I2006-L2008 HydrophobicContact CG2-CD1 4.48Å; I2006-L2008 HydrophobicContact CG2-CG 4.45Å | |||
| 2009 | G | 34.1 | Very low | 31.9 | Very low | 66.5 Ų | 66.5 | 128.7 Ų | 128.7 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | trans | 140.9 | 96.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2010 | S | 32.8 | Very low | 31.9 | Very low | 105.5 Ų | 105.5 | 126.3 Ų | 126.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | 96.5 | 126.1 | 54.1 | 71.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 2011 | T | 32.7 | Very low | 31.5 | Very low | 116.5 Ų | 116.5 | 126.4 Ų | 126.4 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | 40.8 | 137 | 123.1 | 34.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 2012 | D | 31.5 | Very low | 31.6 | Very low | 136.5 Ų | 136.5 | 124.3 Ų | 124.3 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | -159.6 | 146.4 | 110.5 | -75.1 | -33.5 | 0 | 0 | 0 | 114.3 | |||||
| 2013 | L | 32.6 | Very low | 31.7 | Very low | 160.25 Ų | 160.25 | 123.9 Ų | 123.9 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | 128.9 | 101.7 | 117.3 | -85.2 | 171.8 | 0 | 0 | 0 | 113.5 | F2015 | L2013-F2015 HydrophobicContact CD2-CD2 3.79Å; L2013-F2015 HydrophobicContact CD2-CE2 4.33Å | |||
| 2014 | S | 28.5 | Very low | 32 | Very low | 98.5 Ų | 98.5 | 124 Ų | 124 | 69% | 0.689 | 75% | 0.751 | S | S | * | * | trans | -117.4 | 128.7 | 171.2 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | S2016 | S2014-S2016 PolarHBondContact O-N 2.97Š| ||
| 2015 | F | 30 | Very low | 31.8 | Very low | 185.75 Ų | 185.75 | 120.4 Ų | 120.4 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | -100.7 | 133.6 | 159.2 | -81.2 | -83.8 | 0 | 0 | 0 | 110.6 | L2013 | L2013-F2015 HydrophobicContact CD2-CD2 3.79Å; L2013-F2015 HydrophobicContact CD2-CE2 4.33Å | ||
| 2016 | S | 29.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -137.8 | 110.4 | 154.9 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | S2014 N2018 | S2014-S2016 PolarHBondContact O-N 2.97Å; S2016-N2018 VanDerWaalsContact C-N 3.3Å; S2016-N2018 PolarHBondContact O-N 2.84Å | ||
| 2017 | S | 30.1 | Very low | 31.6 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -119.6 | 136.9 | 146 | -55.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 2018 | N | 31.9 | Very low | 31.6 | Very low | 144.5 Ų | 144.5 | 122.7 Ų | 122.7 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | -158.2 | 142.2 | 113.3 | -100.9 | -35.6 | 0 | 0 | 0 | 109.1 | S2016 | S2016-N2018 VanDerWaalsContact C-N 3.3Å; S2016-N2018 PolarHBondContact O-N 2.84Å | |||
| 2019 | S | 29.4 | Very low | 31.5 | Very low | 102.5 Ų | 102.5 | 122.1 Ų | 122.1 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | trans | 34.1 | 134 | 143.8 | 62.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2020 | S | 32 | Very low | 31.5 | Very low | 104.75 Ų | 104.75 | 123.9 Ų | 123.9 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | -177.8 | 134.9 | 57.1 | -86.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 2021 | T | 31.3 | Very low | 31.4 | Very low | 122.75 Ų | 122.75 | 121.9 Ų | 121.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | 70.6 | 136.1 | 128.8 | 5.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 2022 | S | 31.9 | Very low | 31.4 | Very low | 107.25 Ų | 107.25 | 126.6 Ų | 126.6 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | 129 | 134.8 | 97.8 | 0.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2023 | A | 33.3 | Very low | 31.3 | Very low | 96.5 Ų | 96.5 | 126.8 Ų | 126.8 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | cis | 132.4 | 130.9 | 28.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2024 | S | 33.7 | Very low | 31.2 | Very low | 104.5 Ų | 104.5 | 129.1 Ų | 129.1 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | cis | -139.9 | 142.9 | -23.7 | -149.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2025 | S | 31.3 | Very low | 31.4 | Very low | 96.5 Ų | 96.5 | 130.4 Ų | 130.4 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | cis | -158.4 | 151.5 | 49.8 | -10.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2026 | Y | 29.7 | Very low | 31.5 | Very low | 216.5 Ų | 216.5 | 126.9 Ų | 126.9 | 85% | 0.849 | 75% | 0.748 | S | S | * | * | -165.2 | 160 | 67.7 | -134.6 | -95.5 | 0 | 0 | 0 | 110.1 | |||||
| 2027 | S | 30.3 | Very low | 31.6 | Very low | 93.75 Ų | 93.75 | 127.6 Ų | 127.6 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -146.5 | 160.5 | 171.9 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | L2029 | S2027-L2029 PolarHBondContact OG-N 3.26Š| ||
| 2028 | M | 33.3 | Very low | 31.6 | Very low | 145.25 Ų | 145.25 | 127.3 Ų | 127.3 | 72% | 0.716 | 76% | 0.757 | S | S | * | * | trans | 138.6 | 95.1 | 159 | -67 | -63.9 | -78.4 | 0 | 0 | 114.2 | ||||
| 2029 | L | 32.2 | Very low | 31.5 | Very low | 149.25 Ų | 149.25 | 123.7 Ų | 123.7 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | 67.7 | 133.3 | 122.3 | -76.8 | 167.7 | 0 | 0 | 0 | 116.9 | S2027 | S2027-L2029 PolarHBondContact OG-N 3.26Š| |||
| 2030 | S | 33.8 | Very low | 31.4 | Very low | 104.5 Ų | 104.5 | 124.7 Ų | 124.7 | 73% | 0.731 | 76% | 0.76 | S | S | * | * | trans | 139.4 | 105.8 | 151.6 | -172.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2031 | G | 31.1 | Very low | 31.2 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | 81.2 | 120.4 | 105 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 2032 | Y | 31.2 | Very low | 31.1 | Very low | 216 Ų | 216 | 124.1 Ų | 124.1 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | 179.1 | 106.9 | 146.6 | -97.1 | -71.3 | 0 | 0 | 0 | 112.1 | Y2034 | Y2032-Y2034 AromaticContact CD1-CD2 3.64Å; Y2032-Y2034 HydrophobicContact CD1-CD2 3.64Å; Y2032-Y2034 AromaticContact CD1-CE2 3.68Å; Y2032-Y2034 HydrophobicContact CD1-CE2 3.68Å; Y2032-Y2034 HydrophobicContact CE1-CD2 4.25Å; Y2032-Y2034 AromaticContact CE1-CE2 3.8Å; Y2032-Y2034 HydrophobicContact CE1-CE2 3.8Å; Y2032-Y2034 HydrophobicContact CG-CD2 4.39Å; Y2032-Y2034 PolarHBondContact O-N 3.09Å | ||
| 2033 | D | 29.6 | Very low | 30.9 | Very low | 140.5 Ų | 140.5 | 126.3 Ų | 126.3 | 75% | 0.751 | 76% | 0.757 | S | S | * | * | trans | -56.5 | 130.1 | 155.4 | -62.4 | -74 | 0 | 0 | 0 | 112.2 | P1614 | P1614-D2033 WeakPolarHBondContact CB-OD1 3.4Å; P1614-D2033 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 2034 | Y | 30.8 | Very low | 30.6 | Very low | 208 Ų | 208 | 130.4 Ų | 130.4 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -146.2 | 98.4 | 155.6 | -113.5 | -78.7 | 0 | 0 | 0 | 111.1 | Y2032 P2036 | Y2032-Y2034 AromaticContact CD1-CD2 3.64Å; Y2032-Y2034 HydrophobicContact CD1-CD2 3.64Å; Y2032-Y2034 AromaticContact CD1-CE2 3.68Å; Y2032-Y2034 HydrophobicContact CD1-CE2 3.68Å; Y2032-Y2034 HydrophobicContact CE1-CD2 4.25Å; Y2032-Y2034 AromaticContact CE1-CE2 3.8Å; Y2032-Y2034 HydrophobicContact CE1-CE2 3.8Å; Y2032-Y2034 HydrophobicContact CG-CD2 4.39Å; Y2032-Y2034 PolarHBondContact O-N 3.09Å; Y2034-P2036 HydrophobicContact CD1-CG 4.3Å; Y2034-P2036 WeakPolarHBondContact O-CD 3.48Å | ||
| 2035 | T | 32.3 | Very low | 30.4 | Very low | 126.25 Ų | 126.25 | 130.2 Ų | 130.2 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -93.7 | 127.9 | 163.3 | 56.6 | 0 | 0 | 0 | 0 | 109.7 | S2037 | T2035-S2037 WeakPolarHBondContact O-CB 3.48Å; T2035-S2037 PolarHBondContact O-N 2.81Å | ||
| 2036 | P | 32.9 | Very low | 30.5 | Very low | 111.5 Ų | 111.5 | 133.7 Ų | 133.7 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | -107.1 | 123.2 | 165.8 | 28.2 | -13.9 | 0 | 0 | 0 | 111.7 | Y2034 A2038 | Y2034-P2036 HydrophobicContact CD1-CG 4.3Å; Y2034-P2036 WeakPolarHBondContact O-CD 3.48Å; P2036-A2038 PolarHBondContact O-N 3.23Å | ||
| 2037 | S | 31 | Very low | 30.6 | Very low | 116.25 Ų | 116.25 | 133.4 Ų | 133.4 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -13.2 | 108.1 | 137 | -166 | 0 | 0 | 0 | 0 | 112.8 | T2035 G2039 | T2035-S2037 WeakPolarHBondContact O-CB 3.48Å; T2035-S2037 PolarHBondContact O-N 2.81Å; S2037-G2039 PolarHBondContact OG-N 3.02Å | ||
| 2038 | A | 30.5 | Very low | 30.8 | Very low | 102.75 Ų | 102.75 | 137.1 Ų | 137.1 | 85% | 0.849 | 76% | 0.756 | S | S | * | * | trans | -119.4 | 122.9 | 135.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P2036 | P2036-A2038 PolarHBondContact O-N 3.23Š| ||
| 2039 | G | 29.3 | Very low | 30.6 | Very low | 68.25 Ų | 68.25 | 132.7 Ų | 132.7 | 70% | 0.704 | 75% | 0.747 | S | S | * | * | trans | 145 | 121 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | S2037 | S2037-G2039 PolarHBondContact OG-N 3.02Š| ||
| 2040 | C | 27.7 | Very low | 30.8 | Very low | 124.5 Ų | 124.5 | 135.6 Ų | 135.6 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | 133.1 | 117.9 | 128.1 | -157.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 2041 | S | 27.2 | Very low | 30.7 | Very low | 96.5 Ų | 96.5 | 137.3 Ų | 137.3 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | cis | -161.8 | 123.9 | 45.7 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2042 | C | 30 | Very low | 30.8 | Very low | 118.5 Ų | 118.5 | 140.6 Ų | 140.6 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -130.4 | 104.2 | 157 | -46 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2043 | E | 26.9 | Very low | 30.7 | Very low | 152.75 Ų | 152.75 | 140.7 Ų | 140.7 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | trans | 2.2 | 143.3 | 133.2 | -76.9 | -172.9 | 118.4 | 0 | 0 | 114.2 | V2045 | E2043-V2045 PolarHBondContact O-N 3.29Š| ||
| 2044 | R | 28.5 | Very low | 30.8 | Very low | 182.25 Ų | 182.25 | 139 Ų | 139 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | -139.2 | 115.4 | 87.2 | -161.8 | 163.7 | -80 | -176.1 | -4.3 | 112 | H1620 N1621 | H1620-R2044 PolarHBondContact ND1-NH1 3.39Å; N1621-R2044 PolarHBondContact OD1-NH1 3.13Å | |||
| 2045 | V | 29.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | trans | 35.1 | 129.4 | 142.6 | -158.7 | 0 | 0 | 0 | 0 | 116.4 | E2043 R2047 H2048 | E2043-V2045 PolarHBondContact O-N 3.29Å; V2045-R2047 HydrophobicContact CG1-CG 4.24Å; V2045-H2048 VanDerWaalsContact CG1-C 3.43Å; V2045-H2048 WeakPolarHBondContact CG1-O 3.21Å | ||
| 2046 | H | 32.1 | Very low | 30.4 | Very low | 169.25 Ų | 169.25 | 135.8 Ų | 135.8 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | -173.8 | 143.6 | 66.9 | -116.5 | -82.9 | 0 | 0 | 0 | 112.2 | H2048 | H2046-H2048 PolarHBondContact O-N 3.09Š| |||
| 2047 | R | 31.8 | Very low | 30.2 | Very low | 209.5 Ų | 209.5 | 135.4 Ų | 135.4 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -70.2 | 136.5 | 146.4 | -75.2 | -178.4 | 178.6 | -122.7 | 3.4 | 110.1 | V2045 | V2045-R2047 HydrophobicContact CG1-CG 4.24Š| ||
| 2048 | H | 34.5 | Very low | 29.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | -160.2 | 136.8 | 83.7 | -73.1 | -76.2 | 0 | 0 | 0 | 107.1 | V2045 H2046 | V2045-H2048 VanDerWaalsContact CG1-C 3.43Å; V2045-H2048 WeakPolarHBondContact CG1-O 3.21Å; H2046-H2048 PolarHBondContact O-N 3.09Å | |||
| 2049 | G | 30.6 | Very low | 29.8 | Very low | 52.75 Ų | 52.75 | 139.4 Ų | 139.4 | 54% | 0.544 | 75% | 0.746 | S | S | . | * | cis | 122.7 | 124.1 | 11 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2050 | Y | 35.4 | Very low | 29.7 | Very low | 210.75 Ų | 210.75 | 140.9 Ų | 140.9 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | 87.8 | 130.7 | 179.7 | -63.9 | -77.1 | 0 | 0 | 0 | 112.4 | ||||
| 2051 | D | 31.5 | Very low | 29.6 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | cis | 20.1 | 158.1 | 45.3 | -58.2 | -61.7 | 0 | 0 | 0 | 112.4 | ||||
| 2052 | D | 32.6 | Very low | 29.6 | Very low | 134.5 Ų | 134.5 | 140.9 Ų | 140.9 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | -131.7 | 130.7 | 104.1 | -80 | -46.3 | 0 | 0 | 0 | 114.1 | |||||
| 2053 | Y | 30.8 | Very low | 29.3 | Very low | 218.75 Ų | 218.75 | 140.1 Ų | 140.1 | 86% | 0.858 | 74% | 0.741 | S | S | * | * | trans | -163.6 | 110.9 | 139.2 | -105 | -88.7 | 0 | 0 | 0 | 114.3 | L2055 | Y2053-L2055 HydrophobicContact CD1-CD1 4.39Å; Y2053-L2055 HydrophobicContact CD1-CG 4.41Å; Y2053-L2055 HydrophobicContact CE1-CD1 3.97Å; Y2053-L2055 HydrophobicContact CE1-CG 4.38Å; Y2053-L2055 PolarHBondContact O-N 2.83Å | ||
| 2054 | S | 30.8 | Very low | 29.4 | Very low | 103.75 Ų | 103.75 | 141.5 Ų | 141.5 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | trans | -111.8 | 124.6 | -177.2 | -85.1 | 0 | 0 | 0 | 0 | 112.1 | S2056 | S2054-S2056 PolarHBondContact O-N 3.31Å; S2054-S2056 VanDerWaalsContact O-N 3.15Å | ||
| 2055 | L | 28.7 | Very low | 29.3 | Very low | 162.5 Ų | 162.5 | 142.4 Ų | 142.4 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | -63.4 | 101.5 | 165.6 | -65.3 | 173.3 | 0 | 0 | 0 | 113.4 | Y2053 S2057 | Y2053-L2055 HydrophobicContact CD1-CD1 4.39Å; Y2053-L2055 HydrophobicContact CD1-CG 4.41Å; Y2053-L2055 HydrophobicContact CE1-CD1 3.97Å; Y2053-L2055 HydrophobicContact CE1-CG 4.38Å; Y2053-L2055 PolarHBondContact O-N 2.83Å; L2055-S2057 PolarHBondContact O-N 3.21Å; L2055-S2057 VanDerWaalsContact O-N 3.14Å | ||
| 2056 | S | 26.9 | Very low | 29.6 | Very low | 104.75 Ų | 104.75 | 142.7 Ų | 142.7 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -160.9 | 116 | 133.7 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | S2054 | S2054-S2056 PolarHBondContact O-N 3.31Å; S2054-S2056 VanDerWaalsContact O-N 3.15Å | ||
| 2057 | S | 27.1 | Very low | 29.5 | Very low | 102.75 Ų | 102.75 | 144.6 Ų | 144.6 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -126.1 | 133.5 | 155.9 | -67 | 0 | 0 | 0 | 0 | 115.3 | L2055 | L2055-S2057 PolarHBondContact O-N 3.21Å; L2055-S2057 VanDerWaalsContact O-N 3.14Å | ||
| 2058 | F | 26 | Very low | 29.4 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | 86.4 | 136.6 | 161.7 | -65.5 | -83.8 | 0 | 0 | 0 | 116.5 | ||||
| 2059 | T | 27.3 | Very low | 29.3 | Very low | 117.25 Ų | 117.25 | 141 Ų | 141 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | trans | 48.5 | 148.6 | 159.9 | 63.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2060 | S | 27.2 | Very low | 29.2 | Very low | 100.75 Ų | 100.75 | 145.6 Ų | 145.6 | 71% | 0.705 | 76% | 0.757 | S | S | * | * | trans | 68.2 | 114.8 | 149.8 | 45 | 0 | 0 | 0 | 0 | 119.9 | S2062 | S2060-S2062 PolarHBondContact O-N 3.36Š| ||
| 2061 | S | 26.4 | Very low | 29 | Very low | 108.75 Ų | 108.75 | 146.3 Ų | 146.3 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | 41.1 | 115.1 | 150.9 | 65.5 | 0 | 0 | 0 | 0 | 117.6 | C2063 R2096 | S2061-C2063 PolarHBondContact O-N 2.88Å; S2061-R2096 PolarHBondContact O-NE 2.99Å; S2061-R2096 PolarHBondContact O-NH2 3.47Å | ||
| 2062 | S | 26.6 | Very low | 29 | Very low | 110.75 Ų | 110.75 | 144.5 Ų | 144.5 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | -95.5 | 137 | 157.3 | 28.5 | 0 | 0 | 0 | 0 | 113.1 | S2060 | S2060-S2062 PolarHBondContact O-N 3.36Š| ||
| 2063 | C | 25.1 | Very low | 29 | Very low | 102.75 Ų | 102.75 | 144.6 Ų | 144.6 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -107.3 | 117.8 | 140.3 | 170.9 | 0 | 0 | 0 | 0 | 107.8 | S2061 R2096 | S2061-C2063 PolarHBondContact O-N 2.88Å; C2063-R2096 PolarHBondContact SG-NH1 3.49Å | ||
| 2064 | E | 27.7 | Very low | 29.2 | Very low | 180.75 Ų | 180.75 | 142.2 Ų | 142.2 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -119.9 | 155.5 | 141.8 | -110.1 | 170.6 | 171.2 | 0 | 0 | 112.2 | P2066 | E2064-P2066 WeakPolarHBondContact O-CD 3.39Š| ||
| 2065 | Y | 27.9 | Very low | 29.3 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -87 | 145.5 | -177 | -115.1 | -107.9 | 0 | 0 | 0 | 110 | R2067 | Y2065-R2067 VanDerWaalsContact C-N 3.35Å; Y2065-R2067 HydrophobicContact CD1-CG 4.17Å; Y2065-R2067 PolarHBondContact O-N 3.04Å | ||
| 2066 | P | 34 | Very low | 29.5 | Very low | 106.25 Ų | 106.25 | 146.3 Ų | 146.3 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | -102.7 | 120.7 | 151.6 | 21.8 | -14.7 | 0 | 0 | 0 | 114.5 | E2064 Y2068 | E2064-P2066 WeakPolarHBondContact O-CD 3.39Å; P2066-Y2068 HydrophobicContact CG-CD2 4.26Å; P2066-Y2068 PolarHBondContact O-N 2.94Å | ||
| 2067 | R | 30.9 | Very low | 29.8 | Very low | 209 Ų | 209 | 147 Ų | 147 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | -18.8 | 107.7 | 150.1 | -64.4 | -175.1 | -178 | -167.7 | 2.9 | 114.9 | Y2065 T2069 | Y2065-R2067 VanDerWaalsContact C-N 3.35Å; Y2065-R2067 HydrophobicContact CD1-CG 4.17Å; Y2065-R2067 PolarHBondContact O-N 3.04Å; R2067-T2069 PolarHBondContact O-N 3.38Å | ||
| 2068 | Y | 30.4 | Very low | 29.9 | Very low | 192.25 Ų | 192.25 | 147.4 Ų | 147.4 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 112 | 88.9 | 138.9 | -92.5 | -75.1 | 0 | 0 | 0 | 113.1 | P2066 H2070 | P2066-Y2068 HydrophobicContact CG-CD2 4.26Å; P2066-Y2068 PolarHBondContact O-N 2.94Å; Y2068-H2070 HydrophobicContact CD1-CB 4.01Å; Y2068-H2070 AromaticContact CD1-CD2 3.47Å; Y2068-H2070 WeakPolarHBondContact CD1-CD2 3.35Å; Y2068-H2070 AromaticContact CD1-CG 3.59Å; Y2068-H2070 AromaticContact CD1-NE2 3.76Å; Y2068-H2070 AromaticContact CE1-CD2 3.62Å; Y2068-H2070 AromaticContact CE1-CE1 3.75Å; Y2068-H2070 AromaticContact CE1-CG 3.86Å; Y2068-H2070 AromaticContact CE1-ND1 3.93Å; Y2068-H2070 AromaticContact CE1-NE2 3.57Å; Y2068-H2070 WeakPolarHBondContact O-CB 3.25Å | ||
| 2069 | T | 31.6 | Very low | 30.3 | Very low | 113.25 Ų | 113.25 | 143 Ų | 143 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | -141.4 | 111.9 | 99.8 | 43.5 | 0 | 0 | 0 | 0 | 110.5 | R2067 | R2067-T2069 PolarHBondContact O-N 3.38Š| |||
| 2070 | H | 29.6 | Very low | 30.4 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | 41.1 | 94.6 | 120.2 | -81.2 | -57.3 | 0 | 0 | 0 | 117.9 | Y2068 | Y2068-H2070 HydrophobicContact CD1-CB 4.01Å; Y2068-H2070 AromaticContact CD1-CD2 3.47Å; Y2068-H2070 WeakPolarHBondContact CD1-CD2 3.35Å; Y2068-H2070 AromaticContact CD1-CG 3.59Å; Y2068-H2070 AromaticContact CD1-NE2 3.76Å; Y2068-H2070 AromaticContact CE1-CD2 3.62Å; Y2068-H2070 AromaticContact CE1-CE1 3.75Å; Y2068-H2070 AromaticContact CE1-CG 3.86Å; Y2068-H2070 AromaticContact CE1-ND1 3.93Å; Y2068-H2070 AromaticContact CE1-NE2 3.57Å; Y2068-H2070 WeakPolarHBondContact O-CB 3.25Å | |||
| 2071 | R | 30 | Very low | 30.6 | Very low | 225.75 Ų | 225.75 | 148.6 Ų | 148.6 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | 158.7 | 139 | 133.7 | -86.1 | 158.1 | 179.2 | -129.2 | 1.5 | 111.3 | ||||
| 2072 | S | 31.4 | Very low | 31.1 | Very low | 101 Ų | 101 | 151.4 Ų | 151.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -151.6 | 130 | 19.5 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2073 | H | 33.4 | Very low | 31.5 | Very low | 136.5 Ų | 136.5 | 154.5 Ų | 154.5 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | 36.4 | 137.6 | 126.5 | -59.4 | -72.6 | 0 | 0 | 0 | 118.9 | |||||
| 2074 | H | 34.2 | Very low | 31.9 | Very low | 168.75 Ų | 168.75 | 158.9 Ų | 158.9 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | 88.9 | 131.5 | 147.8 | -51.2 | -56 | 0 | 0 | 0 | 115.1 | ||||
| 2075 | S | 33.4 | Very low | 32 | Very low | 117.5 Ų | 117.5 | 153 Ų | 153 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | cis | -138.8 | 119.7 | 12.6 | -81 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2076 | R | 32 | Very low | 32.4 | Very low | 235.5 Ų | 235.5 | 153.6 Ų | 153.6 | 89% | 0.889 | 76% | 0.757 | S | S | * | * | trans | -93 | 151.5 | 160.9 | -114.7 | 177.7 | 176.7 | -177.3 | -0.7 | 112.3 | S2078 | R2076-S2078 PolarHBondContact O-N 2.88Š| ||
| 2077 | P | 34.1 | Very low | 32.1 | Very low | 117.5 Ų | 117.5 | 160 Ų | 160 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | -118.8 | 153.3 | 153.5 | 22.6 | -8.5 | 0 | 0 | 0 | 114.6 | S2079 | P2077-S2079 VanDerWaalsContact C-N 3.32Å; P2077-S2079 PolarHBondContact O-N 3.05Å | ||
| 2078 | S | 28 | Very low | 32.3 | Very low | 111.75 Ų | 111.75 | 159.6 Ų | 159.6 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -175.8 | 125.4 | 155.3 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | R2076 | R2076-S2078 PolarHBondContact O-N 2.88Š| ||
| 2079 | S | 34.4 | Very low | 32.6 | Very low | 94.5 Ų | 94.5 | 158.8 Ų | 158.8 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | -167.2 | 131.1 | 87.8 | 28.6 | 0 | 0 | 0 | 0 | 113.5 | P2077 | P2077-S2079 VanDerWaalsContact C-N 3.32Å; P2077-S2079 PolarHBondContact O-N 3.05Å | |||
| 2080 | F | 30.6 | Very low | 33 | Very low | 191.25 Ų | 191.25 | 162.8 Ų | 162.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | 43.4 | 128.5 | 136.5 | -64.6 | -80.3 | 0 | 0 | 0 | 119.5 | ||||
| 2081 | H | 32 | Very low | 33.3 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | cis | -173.5 | 155.6 | 8.4 | -145.9 | 41.9 | 0 | 0 | 0 | 111.4 | ||||
| 2082 | K | 35.1 | Very low | 33.7 | Very low | 166.75 Ų | 166.75 | 153.5 Ų | 153.5 | 73% | 0.725 | 76% | 0.763 | S | S | * | * | trans | 55.9 | 129.9 | 160.4 | -64.7 | 171.6 | -179.9 | 168.7 | 0 | 118.3 | ||||
| 2083 | Q | 35.3 | Very low | 34 | Very low | 175.5 Ų | 175.5 | 158.5 Ų | 158.5 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | cis | -166.8 | 157.7 | 37.9 | -84.1 | 173.2 | -37.8 | 0 | 0 | 114.6 | ||||
| 2084 | H | 34.1 | Very low | 34.4 | Very low | 195.5 Ų | 195.5 | 154.5 Ų | 154.5 | 91% | 0.905 | 76% | 0.755 | S | S | * | * | trans | -72.5 | 148.7 | -179.2 | -69.4 | -99.3 | 0 | 0 | 0 | 115.1 | ||||
| 2085 | G | 30 | Very low | 34.5 | Very low | 57.5 Ų | 57.5 | 154 Ų | 154 | 59% | 0.593 | 75% | 0.752 | S | S | * | * | trans | 176 | 135.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 2086 | Y | 35 | Very low | 34.6 | Very low | 215.25 Ų | 215.25 | 157.3 Ų | 157.3 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | trans | 59.9 | 63.3 | 166.2 | -50 | -73.7 | 0 | 0 | 0 | 118.5 | R2088 Q2114 | Y2086-R2088 PolarHBondContact O-N 3.24Å; Y2086-Q2114 PolarHBondContact OH-NE2 2.63Å | ||
| 2087 | Y | 29.7 | Very low | 34.9 | Very low | 241.25 Ų | 241.25 | 149.2 Ų | 149.2 | 95% | 0.946 | 73% | 0.725 | S | S | * | * | trans | -74.5 | 107.2 | 144.3 | -110.4 | -96 | 0 | 0 | 0 | 108.1 | ||||
| 2088 | R | 34.4 | Very low | 35.1 | Very low | 200.5 Ų | 200.5 | 148.1 Ų | 148.1 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | -126.3 | 122.5 | 172.1 | -128.2 | -176.8 | -174.9 | -146.1 | -0.5 | 109.4 | Y2086 H2109 | Y2086-R2088 PolarHBondContact O-N 3.24Å; R2088-H2109 PolarHBondContact NH2-O 3.16Å | ||
| 2089 | H | 36.7 | Very low | 35.5 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.815 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -36.7 | 129.3 | -175.3 | -54.5 | -85.8 | 0 | 0 | 0 | 115 | ||
| 2090 | Q | 38.6 | Very low | 35.6 | Very low | 195.75 Ų | 195.75 | 152.4 Ų | 152.4 | 92% | 0.915 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -70 | 140.1 | 152.3 | -74.2 | -178.7 | -17.8 | 0 | 0 | 108.9 | C2092 | Q2090-C2092 PolarHBondContact O-N 3.27Š|
| 2091 | T | 37.5 | Very low | 36 | Very low | 109.75 Ų | 109.75 | 147.6 Ų | 147.6 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 121.1 | -175.7 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | Y2093 | T2091-Y2093 WeakPolarHBondContact O-CD2 3.31Å; T2091-Y2093 PolarHBondContact O-N 3.24Å |
| 2092 | C | 38 | Very low | 36.3 | Very low | 72.5 Ų | 72.5 | 149.6 Ų | 149.6 | 49% | 0.49 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -68 | 122.7 | 171.3 | 167.9 | 0 | 0 | 0 | 0 | 110.4 | Q2090 C2094 C2097 | Q2090-C2092 PolarHBondContact O-N 3.27Å; C2092-C2094 HydrophobicContact CB-CB 4.47Å; C2092-C2094 WeakPolarHBondContact CB-SG 3.35Å; C2092-C2094 PolarHBondContact O-N 3.19Å; C2092-C2094 VanDerWaalsContact O-N 3.1Å; C2092-C2094 WeakPolarHBondContact SG-CB 3.38Å; C2092-C2094 PolarHBondContact SG-N 3.19Å; C2092-C2094 CovalentContact SG-SG 2.05Å; C2092-C2094 PolarHBondContact SG-SG 2.91Å; C2092-C2097 HydrophobicContact CB-CB 4.35Å; C2092-C2097 WeakPolarHBondContact O-CB 3.45Å |
| 2093 | Y | 37.3 | Very low | 36.3 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -79.1 | 27.7 | 171.5 | -83.7 | -90.8 | 0 | 0 | 0 | 112.7 | T2091 | T2091-Y2093 WeakPolarHBondContact O-CD2 3.31Å; T2091-Y2093 PolarHBondContact O-N 3.24Å | ||
| 2094 | C | 41.2 | Very low | 36.2 | Very low | 53 Ų | 53 | 144.3 Ų | 144.3 | 36% | 0.358 | 69% | 0.694 | S | S | . | * | trans | -75.2 | 135.7 | 174.4 | 26.4 | 0 | 0 | 0 | 0 | 110.4 | C2092 R2096 C2097 I2098 | C2092-C2094 HydrophobicContact CB-CB 4.47Å; C2092-C2094 WeakPolarHBondContact CB-SG 3.35Å; C2092-C2094 PolarHBondContact O-N 3.19Å; C2092-C2094 VanDerWaalsContact O-N 3.1Å; C2092-C2094 WeakPolarHBondContact SG-CB 3.38Å; C2092-C2094 PolarHBondContact SG-N 3.19Å; C2092-C2094 CovalentContact SG-SG 2.05Å; C2092-C2094 PolarHBondContact SG-SG 2.91Å; C2094-R2096 PolarHBondContact O-N 2.95Å; C2094-C2097 HydrophobicContact CB-CB 4.18Å; C2094-C2097 WeakPolarHBondContact O-CA 3.47Å; C2094-C2097 WeakPolarHBondContact O-CB 3.36Å; C2094-C2097 PolarHBondContact O-N 3.18Å; C2094-I2098 PolarHBondContact O-N 3.2Å | ||
| 2095 | H | 36.5 | Very low | 36 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -53.4 | -29.2 | -177.2 | -106.1 | -96.5 | 0 | 0 | 0 | 113.9 | C2097 I2098 S2099 | H2095-C2097 VanDerWaalsContact C-N 3.29Å; H2095-C2097 PolarHBondContact O-N 2.87Å; H2095-I2098 PolarHBondContact O-N 3.15Å; H2095-I2098 VanDerWaalsContact O-N 3.14Å; H2095-S2099 PolarHBondContact O-N 3.27Å; H2095-S2099 PolarHBondContact O-OG 3.13Å |
| 2096 | R | 36.4 | Very low | 36.3 | Very low | 187.25 Ų | 187.25 | 148.4 Ų | 148.4 | 71% | 0.707 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -75.1 | -16.5 | 178 | -142.7 | 173.7 | -168 | -178.7 | 2.7 | 114.3 | S2061 C2063 C2094 R2100 | S2061-R2096 PolarHBondContact O-NE 2.99Å; S2061-R2096 PolarHBondContact O-NH2 3.47Å; C2063-R2096 PolarHBondContact SG-NH1 3.49Å; C2094-R2096 PolarHBondContact O-N 2.95Å; R2096-R2100 PolarHBondContact O-N 2.92Å |
| 2097 | C | 38.2 | Very low | 36.2 | Very low | 65.5 Ų | 65.5 | 147 Ų | 147 | 44% | 0.443 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -90.1 | -28.9 | 174.9 | -73.5 | 0 | 0 | 0 | 0 | 113 | C2092 C2094 H2095 S2099 R2100 S2101 | C2092-C2097 HydrophobicContact CB-CB 4.35Å; C2092-C2097 WeakPolarHBondContact O-CB 3.45Å; C2094-C2097 HydrophobicContact CB-CB 4.18Å; C2094-C2097 WeakPolarHBondContact O-CA 3.47Å; C2094-C2097 WeakPolarHBondContact O-CB 3.36Å; C2094-C2097 PolarHBondContact O-N 3.18Å; H2095-C2097 VanDerWaalsContact C-N 3.29Å; H2095-C2097 PolarHBondContact O-N 2.87Å; C2097-S2099 VanDerWaalsContact C-N 3.33Å; C2097-R2100 CarbonylContact O-C 3.51Å; C2097-R2100 PolarHBondContact O-N 3.27Å; C2097-R2100 VanDerWaalsContact O-N 3.11Å; C2097-S2101 PolarHBondContact O-N 3.25Å |
| 2098 | I | 38.4 | Very low | 36.2 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 48% | 0.482 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -69.5 | -36.1 | 177.1 | -61.9 | 173.6 | 0 | 0 | 0 | 110.9 | C2094 H2095 R2100 S2101 R2102 | C2094-I2098 PolarHBondContact O-N 3.2Å; H2095-I2098 PolarHBondContact O-N 3.15Å; H2095-I2098 VanDerWaalsContact O-N 3.14Å; I2098-R2100 PolarHBondContact O-N 3.08Å; I2098-R2100 VanDerWaalsContact O-N 3.09Å; I2098-S2101 PolarHBondContact O-N 3.21Å; I2098-S2101 PolarHBondContact O-OG 3.02Å; I2098-S2101 VanDerWaalsContact O-OG 3.05Å; I2098-R2102 VanDerWaalsContact O-CG 3.32Å; I2098-R2102 WeakPolarHBondContact O-CG 3.46Å |
| 2099 | S | 36.2 | Very low | 36 | Very low | 85.25 Ų | 85.25 | 144.1 Ų | 144.1 | 60% | 0.596 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -13.7 | 178.7 | -54.3 | 0 | 0 | 0 | 0 | 114.3 | H2095 C2097 | H2095-S2099 PolarHBondContact O-N 3.27Å; H2095-S2099 PolarHBondContact O-OG 3.13Å; C2097-S2099 VanDerWaalsContact C-N 3.33Å |
| 2100 | R | 35.7 | Very low | 35.8 | Very low | 211.5 Ų | 211.5 | 140.4 Ų | 140.4 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 15.2 | 177.8 | -79.7 | -172.1 | 167.9 | -172.5 | -4.1 | 114.5 | R2096 C2097 I2098 | R2096-R2100 PolarHBondContact O-N 2.92Å; C2097-R2100 CarbonylContact O-C 3.51Å; C2097-R2100 PolarHBondContact O-N 3.27Å; C2097-R2100 VanDerWaalsContact O-N 3.11Å; I2098-R2100 PolarHBondContact O-N 3.08Å; I2098-R2100 VanDerWaalsContact O-N 3.09Å |
| 2101 | S | 40.8 | Very low | 35.5 | Very low | 91.5 Ų | 91.5 | 136.1 Ų | 136.1 | 64% | 0.64 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -111 | 22.2 | 166 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | C2097 I2098 | C2097-S2101 PolarHBondContact O-N 3.25Å; I2098-S2101 PolarHBondContact O-N 3.21Å; I2098-S2101 PolarHBondContact O-OG 3.02Å; I2098-S2101 VanDerWaalsContact O-OG 3.05Å |
| 2102 | R | 36.9 | Very low | 35.2 | Very low | 185.75 Ų | 185.75 | 137.9 Ų | 137.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -85.6 | -34.1 | 177.3 | -73.9 | -177.1 | 143.4 | 172.3 | -7.9 | 112.9 | I2098 S2104 S2705 E2706 | I2098-R2102 VanDerWaalsContact O-CG 3.32Å; I2098-R2102 WeakPolarHBondContact O-CG 3.46Å; R2102-S2104 PolarHBondContact O-N 3.23Å; R2102-S2705 VanDerWaalsContact CZ-O 3.29Å; R2102-S2705 PolarHBondContact NH1-O 3.16Å; R2102-S2705 VanDerWaalsContact NH2-C 3.27Å; R2102-S2705 PolarHBondContact NH2-O 3.46Å; R2102-E2706 WeakPolarHBondContact CD-OE1 3.43Å; R2102-E2706 IonicContact CZ-OE1 2.88Å; R2102-E2706 IonicContact CZ-OE2 2.7Å; R2102-E2706 IonicContact NE-OE1 2.68Å; R2102-E2706 PolarHBondContact NE-OE1 3Å; R2102-E2706 IonicContact NE-OE2 2.91Å; R2102-E2706 PolarHBondContact NE-OE2 2.98Å; R2102-E2706 IonicContact NH1-OE1 3.9Å; R2102-E2706 IonicContact NH2-OE1 3.49Å; R2102-E2706 IonicContact NH2-OE2 3.91Å; R2102-E2706 PolarHBondContact NH2-OE2 3.02Å |
| 2103 | D | 36.2 | Very low | 35 | Very low | 134.75 Ų | 134.75 | 142.6 Ų | 142.6 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -77.2 | 108 | 172 | -64.4 | -56.2 | 0 | 0 | 0 | 114.4 | H2105 | D2103-H2105 PolarHBondContact O-N 2.87Š|
| 2104 | S | 31.8 | Very low | 34.8 | Very low | 95.5 Ų | 95.5 | 140.2 Ų | 140.2 | 67% | 0.668 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 50.4 | -175.7 | 64.3 | 0 | 0 | 0 | 0 | 116 | R2102 H2106 | R2102-S2104 PolarHBondContact O-N 3.23Å; S2104-H2106 PolarHBondContact O-N 3.13Å; S2104-H2106 PolarHBondContact O-ND1 2.92Å |
| 2105 | H | 31.4 | Very low | 34.2 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 53.7 | 167.7 | -80.6 | -95.5 | 0 | 0 | 0 | 115.4 | D2103 K2107 | D2103-H2105 PolarHBondContact O-N 2.87Å; H2105-K2107 PolarHBondContact O-N 2.88Å |
| 2106 | H | 34.6 | Very low | 34 | Very low | 166.75 Ų | 166.75 | 147.5 Ų | 147.5 | 77% | 0.772 | 72% | 0.715 | S | S | * | * | trans | -101.3 | 50.4 | 172.9 | -79.3 | 52.3 | 0 | 0 | 0 | 113.2 | S2104 R2108 | S2104-H2106 PolarHBondContact O-N 3.13Å; S2104-H2106 PolarHBondContact O-ND1 2.92Å; H2106-R2108 PolarHBondContact O-N 3.25Å | ||
| 2107 | K | 33.3 | Very low | 33.8 | Very low | 185.5 Ų | 185.5 | 149.3 Ų | 149.3 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | trans | -91.1 | 109.5 | 163 | -80.2 | -176.5 | 175.8 | 177.4 | 0 | 110.1 | H2105 | H2105-K2107 PolarHBondContact O-N 2.88Š| ||
| 2108 | R | 30.7 | Very low | 33.7 | Very low | 215 Ų | 215 | 153.4 Ų | 153.4 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | 171.6 | 115.3 | 156.6 | -79.2 | 169.4 | -169.6 | -137.6 | 3.9 | 111.9 | H2106 | H2106-R2108 PolarHBondContact O-N 3.25Š| ||
| 2109 | H | 30 | Very low | 33.5 | Very low | 166.5 Ų | 166.5 | 155 Ų | 155 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | trans | 66.4 | 80.7 | 141.2 | -57.7 | -58.8 | 0 | 0 | 0 | 116 | R2088 E2112 | R2088-H2109 PolarHBondContact NH2-O 3.16Å; H2109-E2112 IonicContact ND1-OE2 3.87Å | ||
| 2110 | A | 32.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 157.7 Ų | 157.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -144.2 | 35.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2111 | S | 32.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -128.2 | 93.5 | -172.5 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 2112 | E | 29.5 | Very low | 33.1 | Very low | 146 Ų | 146 | 159.7 Ų | 159.7 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | 153.7 | 63.1 | 179 | -152.6 | 155.2 | -154.1 | 0 | 0 | 114.7 | H2109 Q2114 | H2109-E2112 IonicContact ND1-OE2 3.87Å; E2112-Q2114 HydrophobicContact CG-CG 4.47Å; E2112-Q2114 PolarHBondContact OE1-NE2 3.42Å; E2112-Q2114 VanDerWaalsContact OE1-NE2 3.16Å | ||
| 2113 | H | 33.6 | Very low | 32.9 | Very low | 171.5 Ų | 171.5 | 159.3 Ų | 159.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -129.4 | 87.5 | 152.6 | -84.4 | -66.2 | 0 | 0 | 0 | 112.6 | ||||
| 2114 | Q | 34.1 | Very low | 33 | Very low | 154.75 Ų | 154.75 | 157.9 Ų | 157.9 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | 130.8 | 64.9 | 141 | -93.3 | 170.2 | -8.5 | 0 | 0 | 117.4 | Y2086 E2112 | Y2086-Q2114 PolarHBondContact OH-NE2 2.63Å; E2112-Q2114 HydrophobicContact CG-CG 4.47Å; E2112-Q2114 PolarHBondContact OE1-NE2 3.42Å; E2112-Q2114 VanDerWaalsContact OE1-NE2 3.16Å | ||
| 2115 | Y | 29.4 | Very low | 33.1 | Very low | 205.75 Ų | 205.75 | 159.9 Ų | 159.9 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -143.4 | 89.9 | 135.9 | -89 | -75.5 | 0 | 0 | 0 | 114.7 | ||||
| 2116 | Q | 31.4 | Very low | 33.2 | Very low | 158.5 Ų | 158.5 | 160.5 Ų | 160.5 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 112.6 | 91.3 | 154.3 | -87.9 | 175 | 16.6 | 0 | 0 | 117.8 | ||||
| 2117 | R | 32.4 | Very low | 33.3 | Very low | 223.5 Ų | 223.5 | 160.4 Ų | 160.4 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -175.2 | 129.2 | 142.1 | -80.6 | 167.7 | -165.8 | -125.1 | 1.7 | 111.9 | ||||
| 2118 | H | 36.1 | Very low | 33.3 | Very low | 153.25 Ų | 153.25 | 162.3 Ų | 162.3 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | 85.8 | 97.8 | 142.1 | -70.7 | -63.9 | 0 | 0 | 0 | 114.4 | L2120 | H2118-L2120 HydrophobicContact CB-CD1 4.43Å; H2118-L2120 PolarHBondContact O-N 3.44Å | ||
| 2119 | T | 33.1 | Very low | 33.4 | Very low | 127.5 Ų | 127.5 | 156.5 Ų | 156.5 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | -65.1 | 120.3 | 140.5 | -26 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2120 | L | 33.9 | Very low | 33.6 | Very low | 141.75 Ų | 141.75 | 156.2 Ų | 156.2 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 147.3 | 125.8 | 179.8 | -82.5 | 161.6 | 0 | 0 | 0 | 112.8 | H2118 | H2118-L2120 HydrophobicContact CB-CD1 4.43Å; H2118-L2120 PolarHBondContact O-N 3.44Å | ||
| 2121 | H | 37.8 | Very low | 33.8 | Very low | 159.5 Ų | 159.5 | 160.1 Ų | 160.1 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | -163.1 | 135 | 70 | -121 | -63.1 | 0 | 0 | 0 | 114.7 | |||||
| 2122 | K | 32.7 | Very low | 33.9 | Very low | 184.75 Ų | 184.75 | 159.5 Ų | 159.5 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | trans | -48.1 | 135.6 | 155.3 | -62.3 | 170.5 | 180 | 174.2 | 0 | 112 | ||||
| 2123 | H | 34.2 | Very low | 34.2 | Very low | 178.25 Ų | 178.25 | 158.5 Ų | 158.5 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -156.6 | 146.8 | 141.8 | -106.2 | -70 | 0 | 0 | 0 | 111.1 | ||||
| 2124 | P | 38.5 | Very low | 34.4 | Very low | 104 Ų | 104 | 157.7 Ų | 157.7 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | -113.7 | -175.9 | 162.3 | 40.7 | -32.1 | 0 | 0 | 0 | 114.3 | ||||
| 2125 | E | 34 | Very low | 34.9 | Very low | 137.75 Ų | 137.75 | 157.9 Ų | 157.9 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | trans | 68.8 | 130.8 | 158.5 | -72.6 | -150 | 105 | 0 | 0 | 120.4 | ||||
| 2126 | R | 31.7 | Very low | 35.2 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | 90 | 149.5 | 150.2 | -68.9 | 161.3 | -162.2 | -167.2 | 19.1 | 114.4 | ||||
| 2127 | H | 37.7 | Very low | 35.3 | Very low | 165.25 Ų | 165.25 | 158.2 Ų | 158.2 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | 132.2 | 135 | 107.4 | -68.7 | -80.4 | 0 | 0 | 0 | 114.8 | |||||
| 2128 | R | 32.6 | Very low | 35.5 | Very low | 225.25 Ų | 225.25 | 155.2 Ų | 155.2 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | 53.9 | 126.8 | 94.7 | -103.3 | -176 | -172.3 | -175.7 | 1.8 | 114.8 | |||||
| 2129 | S | 32.9 | Very low | 35.6 | Very low | 94 Ų | 94 | 152.2 Ų | 152.2 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | trans | 67.5 | 137.4 | 149.5 | 60 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2130 | H | 35.6 | Very low | 35.5 | Very low | 159.25 Ų | 159.25 | 154.3 Ų | 154.3 | 74% | 0.737 | 73% | 0.73 | S | S | * | * | trans | 82.2 | 120 | 146.7 | -61.4 | -62.6 | 0 | 0 | 0 | 116.3 | ||||
| 2131 | H | 35.8 | Very low | 35.6 | Very low | 180.25 Ų | 180.25 | 152.1 Ų | 152.1 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | 136.6 | 127 | 131.3 | -65.3 | -62.7 | 0 | 0 | 0 | 112.3 | ||||
| 2132 | S | 34.6 | Very low | 35.5 | Very low | 94.75 Ų | 94.75 | 151.7 Ų | 151.7 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | -167.6 | 150.9 | 99 | 42 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2133 | D | 35.1 | Very low | 35.7 | Very low | 124.5 Ų | 124.5 | 151 Ų | 151 | 67% | 0.666 | 73% | 0.725 | S | S | * | * | trans | 17.6 | 141.3 | 173.9 | -101.6 | -56.4 | 0 | 0 | 0 | 114.5 | R2136 | D2133-R2136 WeakPolarHBondContact OD2-CD 3.5Å; D2133-R2136 IonicContact OD2-CZ 3.74Å; D2133-R2136 IonicContact OD2-NE 3.98Å; D2133-R2136 IonicContact OD2-NH1 2.74Å; D2133-R2136 PolarHBondContact OD2-NH1 3.4Å | ||
| 2134 | H | 38.6 | Very low | 35.7 | Very low | 156 Ų | 156 | 148 Ų | 148 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | -146.5 | 125.3 | 101.2 | -92.5 | -55.1 | 0 | 0 | 0 | 112.9 | |||||
| 2135 | H | 44.7 | Very low | 35.5 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 68.5 | 107.8 | 162.7 | -57.6 | -54.3 | 0 | 0 | 0 | 114.7 | ||||
| 2136 | R | 35 | Very low | 35.4 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 73% | 0.725 | 74% | 0.738 | S | S | * | * | cis | 78.6 | 134.6 | 35.3 | -137.8 | -175.3 | -163.8 | 172.4 | -1.7 | 114.7 | D2133 | D2133-R2136 WeakPolarHBondContact OD2-CD 3.5Å; D2133-R2136 IonicContact OD2-CZ 3.74Å; D2133-R2136 IonicContact OD2-NE 3.98Å; D2133-R2136 IonicContact OD2-NH1 2.74Å; D2133-R2136 PolarHBondContact OD2-NH1 3.4Å | ||
| 2137 | Y | 34.2 | Very low | 35.7 | Very low | 176.75 Ų | 176.75 | 146.4 Ų | 146.4 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | trans | 70 | 130.9 | 175.9 | -59.9 | -91 | 0 | 0 | 0 | 114.9 | ||||
| 2138 | H | 37.3 | Very low | 35.4 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | cis | -171.5 | 144.4 | 27.8 | -100 | -47.3 | 0 | 0 | 0 | 110.3 | ||||
| 2139 | S | 36.7 | Very low | 35.3 | Very low | 89.75 Ų | 89.75 | 143.8 Ų | 143.8 | 63% | 0.628 | 74% | 0.744 | S | S | * | * | -22.9 | 148.3 | 66.5 | -72.9 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 2140 | H | 32.9 | Very low | 35.3 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -121.6 | 149.8 | 138.8 | -79.8 | -56.3 | 0 | 0 | 0 | 114.2 | H2142 | H2140-H2142 WeakPolarHBondContact CB-CD2 3.3Å; H2140-H2142 VanDerWaalsContact CB-NE2 3.31Å; H2140-H2142 WeakPolarHBondContact CB-NE2 3.11Å; H2140-H2142 AromaticContact CD2-NE2 3.95Å; H2140-H2142 AromaticContact CG-NE2 3.81Å | ||
| 2141 | S | 35.1 | Very low | 35.2 | Very low | 95.5 Ų | 95.5 | 144.2 Ų | 144.2 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | 153.5 | 126.7 | 144 | -155.2 | 0 | 0 | 0 | 0 | 113 | H2143 | S2141-H2143 PolarHBondContact OG-CD2 3.48Š| ||
| 2142 | H | 34.8 | Very low | 35 | Very low | 151.75 Ų | 151.75 | 145.7 Ų | 145.7 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | -113.9 | 154.6 | 108.1 | -65.8 | -91.4 | 0 | 0 | 0 | 112 | H2140 | H2140-H2142 WeakPolarHBondContact CB-CD2 3.3Å; H2140-H2142 VanDerWaalsContact CB-NE2 3.31Å; H2140-H2142 WeakPolarHBondContact CB-NE2 3.11Å; H2140-H2142 AromaticContact CD2-NE2 3.95Å; H2140-H2142 AromaticContact CG-NE2 3.81Å | |||
| 2143 | H | 37.1 | Very low | 35 | Very low | 170.75 Ų | 170.75 | 149.7 Ų | 149.7 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -103.8 | 113.8 | 163.6 | -53.9 | -65.1 | 0 | 0 | 0 | 113 | S2141 | S2141-H2143 PolarHBondContact OG-CD2 3.48Š| ||
| 2144 | S | 35.1 | Very low | 35.2 | Very low | 114.75 Ų | 114.75 | 148.1 Ų | 148.1 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | -106.5 | 143 | 122.4 | -76.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2145 | S | 33.4 | Very low | 35 | Very low | 121.5 Ų | 121.5 | 147.5 Ų | 147.5 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | 118.9 | 138.8 | 174.3 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2146 | G | 32.9 | Very low | 34.7 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -171.4 | 112.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R2148 | G2146-R2148 PolarHBondContact O-N 3.23Š| ||
| 2147 | K | 36.8 | Very low | 34.6 | Very low | 195.5 Ų | 195.5 | 145.7 Ų | 145.7 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | -96.8 | 108.3 | 175.1 | -84.7 | -179.7 | 179.6 | 179.5 | 0 | 109.1 | ||||
| 2148 | R | 32.1 | Very low | 34.8 | Very low | 236.5 Ų | 236.5 | 144.7 Ų | 144.7 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | trans | 158.7 | 135 | 160.6 | -89.8 | 159 | -178.6 | -142.8 | -3.3 | 109.4 | G2146 | G2146-R2148 PolarHBondContact O-N 3.23Š| ||
| 2149 | S | 31.5 | Very low | 34.7 | Very low | 101.25 Ų | 101.25 | 146 Ų | 146 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | cis | 135.4 | 135.5 | 33 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2150 | S | 32.5 | Very low | 34.8 | Very low | 101.5 Ų | 101.5 | 150.1 Ų | 150.1 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | trans | 42.5 | 132.1 | 155 | 58.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2151 | L | 32.3 | Very low | 35 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | 79 | 122 | 136.1 | -69 | 167.8 | 0 | 0 | 0 | 117.9 | ||||
| 2152 | Y | 32.2 | Very low | 35.2 | Very low | 210.5 Ų | 210.5 | 151.7 Ų | 151.7 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | 132.6 | 145.1 | 133.3 | -114.1 | -111.6 | 0 | 0 | 0 | 117.8 | P2154 | Y2152-P2154 HydrophobicContact CD1-CG 4.47Š| ||
| 2153 | Y | 33.8 | Very low | 35.3 | Very low | 178.5 Ų | 178.5 | 151 Ų | 151 | 70% | 0.7 | 75% | 0.748 | S | S | * | * | trans | -103 | 160.7 | 160.9 | -105.1 | -88.5 | 0 | 0 | 0 | 112.4 | H2155 | Y2153-H2155 AromaticContact CD1-CD2 3.96Å; Y2153-H2155 AromaticContact CD1-NE2 3.83Å; Y2153-H2155 AromaticContact CE1-CE1 3.9Å; Y2153-H2155 AromaticContact CE1-NE2 3.53Å | ||
| 2154 | P | 40.2 | Very low | 35.2 | Very low | 91 Ų | 91 | 148.7 Ų | 148.7 | 59% | 0.591 | 74% | 0.742 | S | S | * | * | cis | -118 | 176.4 | 1.9 | 30.3 | -12.2 | 0 | 0 | 0 | 115.6 | Y2152 | Y2152-P2154 HydrophobicContact CD1-CG 4.47Š| ||
| 2155 | H | 35 | Very low | 35.3 | Very low | 144.5 Ų | 144.5 | 150.8 Ų | 150.8 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -72.5 | 156.5 | 162.7 | -72.6 | -79.5 | 0 | 0 | 0 | 116.4 | Y2153 H2157 | Y2153-H2155 AromaticContact CD1-CD2 3.96Å; Y2153-H2155 AromaticContact CD1-NE2 3.83Å; Y2153-H2155 AromaticContact CE1-CE1 3.9Å; Y2153-H2155 AromaticContact CE1-NE2 3.53Å; H2155-H2157 AromaticContact ND1-CD2 3.64Å | ||
| 2156 | H | 37.8 | Very low | 35.4 | Very low | 171.25 Ų | 171.25 | 153.8 Ų | 153.8 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | trans | -144.7 | 136.2 | 136.4 | -76.4 | -78.2 | 0 | 0 | 0 | 113.3 | ||||
| 2157 | H | 33.8 | Very low | 35.6 | Very low | 140.75 Ų | 140.75 | 155.3 Ų | 155.3 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | 106.9 | 156.5 | 116.1 | -77.9 | -91.6 | 0 | 0 | 0 | 115.4 | H2155 | H2155-H2157 AromaticContact ND1-CD2 3.64Š| |||
| 2158 | H | 37.4 | Very low | 35.6 | Very low | 156.75 Ų | 156.75 | 154 Ų | 154 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | trans | 132.3 | 107.8 | 138.2 | -76.6 | -57.9 | 0 | 0 | 0 | 112.7 | ||||
| 2159 | R | 35.5 | Very low | 35.9 | Very low | 188.5 Ų | 188.5 | 151.2 Ų | 151.2 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | 58.5 | 129.2 | 97.9 | -70.3 | -174.5 | 174.1 | -177.6 | -2.2 | 114.6 | H2161 | R2159-H2161 WeakPolarHBondContact CD-NE2 3.3Å; R2159-H2161 PolarHBondContact NH1-CE1 2.93Å; R2159-H2161 VanDerWaalsContact NH1-CE1 3.3Å; R2159-H2161 PolarHBondContact NH1-NE2 2.94Å | |||
| 2160 | H | 39.4 | Very low | 36.2 | Very low | 174.5 Ų | 174.5 | 152.6 Ų | 152.6 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | -121.5 | 144.2 | 62.8 | -80.8 | -94.5 | 0 | 0 | 0 | 109.3 | H2162 | H2160-H2162 AromaticContact ND1-CD2 3.87Š| |||
| 2161 | H | 35.9 | Very low | 36.4 | Very low | 132 Ų | 132 | 159.1 Ų | 159.1 | 61% | 0.611 | 74% | 0.735 | S | S | * | * | trans | -32.2 | 124.9 | 133.3 | -79 | -86.9 | 0 | 0 | 0 | 113.1 | R2159 | R2159-H2161 WeakPolarHBondContact CD-NE2 3.3Å; R2159-H2161 PolarHBondContact NH1-CE1 2.93Å; R2159-H2161 VanDerWaalsContact NH1-CE1 3.3Å; R2159-H2161 PolarHBondContact NH1-NE2 2.94Å | ||
| 2162 | H | 39 | Very low | 36.6 | Very low | 170.25 Ų | 170.25 | 160 Ų | 160 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | -145.4 | 136.9 | 112.4 | -74.5 | -83.7 | 0 | 0 | 0 | 109.2 | H2160 | H2160-H2162 AromaticContact ND1-CD2 3.87Š| |||
| 2163 | H | 37.8 | Very low | 37 | Very low | 137.25 Ų | 137.25 | 157.9 Ų | 157.9 | 64% | 0.635 | 73% | 0.73 | S | S | * | * | cis | 161.4 | 152.2 | 42.4 | -103.9 | -54.7 | 0 | 0 | 0 | 114.7 | ||||
| 2164 | N | 35.1 | Very low | 37 | Very low | 122.75 Ų | 122.75 | 155.3 Ų | 155.3 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | trans | 117.6 | 148.2 | 145.5 | -75 | -16.9 | 0 | 0 | 0 | 115.6 | ||||
| 2165 | H | 37.4 | Very low | 36.8 | Very low | 157.25 Ų | 157.25 | 161.9 Ų | 161.9 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | 168 | 127 | 91.9 | -99.9 | -64.2 | 0 | 0 | 0 | 114.3 | |||||
| 2166 | K | 34.7 | Very low | 36.8 | Very low | 184.25 Ų | 184.25 | 159.4 Ų | 159.4 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | trans | -13.8 | 133.2 | 135.6 | -68.4 | -176.9 | 177.9 | 175.1 | 0 | 115.6 | ||||
| 2167 | S | 37.2 | Very low | 36.7 | Very low | 107.25 Ų | 107.25 | 157.8 Ų | 157.8 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | 83.3 | 137 | 158.4 | 59.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2168 | E | 37.2 | Very low | 36.8 | Very low | 168.5 Ų | 168.5 | 159.3 Ų | 159.3 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | cis | -163.8 | 143.6 | 33.7 | -157 | 167.1 | 158.3 | 0 | 0 | 112.4 | ||||
| 2169 | K | 38.1 | Very low | 36.7 | Very low | 175.75 Ų | 175.75 | 159.6 Ų | 159.6 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | -152.8 | 144.1 | 157.9 | -97.5 | 175.3 | 178.6 | 172 | 0 | 114.4 | ||||
| 2170 | D | 37 | Very low | 36.7 | Very low | 130.75 Ų | 130.75 | 155.8 Ų | 155.8 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | 32.6 | 113.2 | 149.6 | -57.3 | -42.5 | 0 | 0 | 0 | 116.1 | K1371 | K1371-D2170 IonicContact NZ-OD1 2.74Å; K1371-D2170 PolarHBondContact NZ-OD1 3.24Å; K1371-D2170 IonicContact NZ-OD2 2.77Å; K1371-D2170 PolarHBondContact NZ-OD2 2.9Å | ||
| 2171 | R | 37.9 | Very low | 36.5 | Very low | 239 Ų | 239 | 154.6 Ų | 154.6 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | -160.5 | 148.1 | 111.6 | -100.3 | 166.3 | -175.6 | 169 | 1.3 | 113 | |||||
| 2172 | K | 35.9 | Very low | 36.7 | Very low | 178.25 Ų | 178.25 | 155.8 Ų | 155.8 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -83.8 | 147.4 | 165.3 | -61.3 | 177.5 | 166.1 | -160.7 | 0 | 109.8 | D2174 | K2172-D2174 IonicContact NZ-OD1 2.76Å; K2172-D2174 IonicContact NZ-OD2 2.84Å; K2172-D2174 PolarHBondContact NZ-OD2 3.47Å | ||
| 2173 | H | 39.7 | Very low | 36.5 | Very low | 167.25 Ų | 167.25 | 156.4 Ų | 156.4 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | trans | -159.7 | 129.3 | 135.9 | -92.1 | -57.6 | 0 | 0 | 0 | 107.9 | R2175 | H2173-R2175 PolarHBondContact O-N 3.49Š| ||
| 2174 | D | 34.9 | Very low | 36.2 | Very low | 122.5 Ų | 122.5 | 154.8 Ų | 154.8 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | 5.7 | 120.3 | 111.7 | -55.2 | -60.6 | 0 | 0 | 0 | 111.9 | K2172 | K2172-D2174 IonicContact NZ-OD1 2.76Å; K2172-D2174 IonicContact NZ-OD2 2.84Å; K2172-D2174 PolarHBondContact NZ-OD2 3.47Å | |||
| 2175 | R | 36.6 | Very low | 36.1 | Very low | 229.75 Ų | 229.75 | 154.7 Ų | 154.7 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | 174.2 | 126.7 | 148 | -83.9 | 172.9 | -174.1 | -161.1 | -1.4 | 110.4 | H2173 | H2173-R2175 PolarHBondContact O-N 3.49Š| ||
| 2176 | S | 34.7 | Very low | 35.8 | Very low | 93.5 Ų | 93.5 | 153.6 Ų | 153.6 | 65% | 0.654 | 78% | 0.776 | S | S | * | * | 41.3 | 146.5 | 102.3 | 45.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 2177 | D | 36 | Very low | 35.7 | Very low | 136.5 Ų | 136.5 | 150.2 Ų | 150.2 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | 135.1 | 160.1 | 143.3 | -57.2 | -49.6 | 0 | 0 | 0 | 111.2 | ||||
| 2178 | E | 35.2 | Very low | 35.4 | Very low | 173.5 Ų | 173.5 | 150.3 Ų | 150.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | cis | -173.8 | 160.8 | 4.1 | -101.3 | -177.8 | 152.8 | 0 | 0 | 113.6 | ||||
| 2179 | L | 35.8 | Very low | 35.3 | Very low | 163.25 Ų | 163.25 | 147.2 Ų | 147.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 7.7 | 146.8 | 159.6 | -57.2 | 162.1 | 0 | 0 | 0 | 118.8 | ||||
| 2180 | S | 34.7 | Very low | 35 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | 171.3 | 135.5 | 127.2 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2181 | D | 36.4 | Very low | 34.9 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -87 | 151.2 | 152.5 | -67.2 | -59.5 | 0 | 0 | 0 | 111.6 | ||||
| 2182 | D | 38.3 | Very low | 34.7 | Very low | 155.75 Ų | 155.75 | 143 Ų | 143 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -140.9 | 158.7 | 137.2 | -124.7 | -38.1 | 0 | 0 | 0 | 112.5 | ||||
| 2183 | K | 34.8 | Very low | 34.8 | Very low | 184.25 Ų | 184.25 | 142.4 Ų | 142.4 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | -117.3 | 156.9 | 179 | -72.9 | 163.6 | -177.1 | 166 | 0 | 114.5 | ||||
| 2184 | S | 32.6 | Very low | 34.7 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 90.5 | 143.3 | 139.3 | 44.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2185 | T | 32.2 | Very low | 34.7 | Very low | 121.25 Ų | 121.25 | 143.5 Ų | 143.5 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | 128.8 | 126.2 | 120 | 28.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 2186 | T | 32 | Very low | 34.6 | Very low | 133.75 Ų | 133.75 | 137.7 Ų | 137.7 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | 68.3 | 110.5 | 156.1 | 50.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2187 | S | 32.4 | Very low | 34.8 | Very low | 111.5 Ų | 111.5 | 140.2 Ų | 140.2 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | 175.6 | 139.7 | 89.6 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2188 | S | 31.8 | Very low | 34.9 | Very low | 109.75 Ų | 109.75 | 137.7 Ų | 137.7 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | 54.3 | 116.8 | 153.7 | -167.9 | 0 | 0 | 0 | 0 | 117 | K2190 | S2188-K2190 PolarHBondContact O-N 3.1Š| ||
| 2189 | S | 33.4 | Very low | 35.3 | Very low | 104.75 Ų | 104.75 | 137 Ų | 137 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | -154.4 | 122.9 | 118.4 | -77.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 2190 | K | 33.6 | Very low | 35.8 | Very low | 200 Ų | 200 | 133.7 Ų | 133.7 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | trans | -10.2 | 104 | 157.5 | -61.5 | 177.2 | -177.6 | 173.9 | 0 | 116.4 | S2188 | S2188-K2190 PolarHBondContact O-N 3.1Š| ||
| 2191 | S | 34.3 | Very low | 36.3 | Very low | 102.25 Ų | 102.25 | 133.7 Ų | 133.7 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | -161.7 | 127.6 | 133.6 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2192 | L | 34.3 | Very low | 36.5 | Very low | 154.5 Ų | 154.5 | 132.5 Ų | 132.5 | 81% | 0.809 | 73% | 0.728 | S | S | * | * | trans | 16.5 | 79.1 | 149.2 | -75.9 | 171.8 | 0 | 0 | 0 | 112.9 | K2194 I2195 | L2192-K2194 PolarHBondContact O-N 3.04Å; L2192-I2195 HydrophobicContact CD2-CD1 3.97Å; L2192-I2195 HydrophobicContact CD2-CG1 4.24Å | ||
| 2193 | E | 37.1 | Very low | 36.6 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | trans | -116.5 | 145.3 | 139.1 | -102.6 | 171.9 | 172.6 | 0 | 0 | 110.5 | I2195 | E2193-I2195 PolarHBondContact O-N 2.96Š| ||
| 2194 | K | 37.5 | Very low | 36.8 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | 68.9 | 90.7 | 175.2 | -42.9 | 167.8 | -174.3 | 166.9 | 0 | 114.6 | K1794 L2192 S2196 | K1794-K2194 HydrophobicContact CB-CD 4.23Å; K1794-K2194 HydrophobicContact CD-CD 3.91Å; K1794-K2194 HydrophobicContact CD-CG 4.24Å; K1794-K2194 HydrophobicContact CG-CD 3.98Å; K1794-K2194 HydrophobicContact CG-CG 4.14Å; L2192-K2194 PolarHBondContact O-N 3.04Å; K2194-S2196 PolarHBondContact O-N 2.87Å | ||
| 2195 | I | 35.5 | Very low | 37.1 | Very low | 147 Ų | 147 | 128.8 Ų | 128.8 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -98.8 | 116.4 | 144.3 | -56.9 | -179.2 | 0 | 0 | 0 | 106.9 | L2192 E2193 L2197 | L2192-I2195 HydrophobicContact CD2-CD1 3.97Å; L2192-I2195 HydrophobicContact CD2-CG1 4.24Å; E2193-I2195 PolarHBondContact O-N 2.96Å; I2195-L2197 VanDerWaalsContact C-N 3.31Å; I2195-L2197 HydrophobicContact CG2-CD2 3.94Å; I2195-L2197 HydrophobicContact CG2-CG 3.96Å; I2195-L2197 PolarHBondContact O-N 3.14Å; I2195-L2197 VanDerWaalsContact O-N 3.1Å | ||
| 2196 | S | 34.7 | Very low | 37.5 | Very low | 108.75 Ų | 108.75 | 129.5 Ų | 129.5 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | -94.8 | 99.6 | 176.9 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | K2194 D2198 | K2194-S2196 PolarHBondContact O-N 2.87Å; S2196-D2198 PolarHBondContact O-N 2.83Å; S2196-D2198 VanDerWaalsContact O-N 3.14Å | ||
| 2197 | L | 37.5 | Very low | 37.6 | Very low | 145.75 Ų | 145.75 | 131.6 Ų | 131.6 | 76% | 0.763 | 71% | 0.705 | S | S | * | * | trans | -86.1 | 122.4 | 168.9 | -69.8 | 175.5 | 0 | 0 | 0 | 108.8 | I2195 E2199 | I2195-L2197 VanDerWaalsContact C-N 3.31Å; I2195-L2197 HydrophobicContact CG2-CD2 3.94Å; I2195-L2197 HydrophobicContact CG2-CG 3.96Å; I2195-L2197 PolarHBondContact O-N 3.14Å; I2195-L2197 VanDerWaalsContact O-N 3.1Å; L2197-E2199 PolarHBondContact O-N 2.87Å | ||
| 2198 | D | 37.8 | Very low | 37.8 | Very low | 84.25 Ų | 84.25 | 136 Ų | 136 | 45% | 0.451 | 71% | 0.706 | S | S | . | * | trans | -77.1 | 136.2 | 176.1 | -163.7 | -27.8 | 0 | 0 | 0 | 109.8 | K1724 S2196 N2200 D2201 | K1724-D2198 WeakPolarHBondContact CE-OD1 3.11Å; K1724-D2198 WeakPolarHBondContact CE-OD2 3.47Å; K1724-D2198 IonicContact NZ-OD1 2.69Å; K1724-D2198 PolarHBondContact NZ-OD1 3.48Å; K1724-D2198 IonicContact NZ-OD2 3.75Å; K1724-D2198 PolarHBondContact NZ-OD2 2.99Å; S2196-D2198 PolarHBondContact O-N 2.83Å; S2196-D2198 VanDerWaalsContact O-N 3.14Å; D2198-N2200 PolarHBondContact O-N 2.98Å; D2198-N2200 VanDerWaalsContact O-N 3.1Å; D2198-N2200 WeakPolarHBondContact OD1-CB 3.4Å; D2198-N2200 PolarHBondContact OD1-N 3.23Å; D2198-N2200 PolarHBondContact OD1-ND2 3.08Å; D2198-N2200 PolarHBondContact OD2-ND2 3.06Å; D2198-D2201 PolarHBondContact O-N 2.85Å; D2198-D2201 VanDerWaalsContact O-N 3.14Å | ||
| 2199 | E | 44.6 | Very low | 37.9 | Very low | 157.5 Ų | 157.5 | 134.9 Ų | 134.9 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 0.6 | 176.3 | -70.2 | -165.1 | 130 | 0 | 0 | 113 | L2197 D2201 L2202 | L2197-E2199 PolarHBondContact O-N 2.87Å; E2199-D2201 PolarHBondContact O-N 3.44Å; E2199-L2202 HydrophobicContact CB-CB 4.48Å; E2199-L2202 HydrophobicContact CB-CD1 4.45Å; E2199-L2202 HydrophobicContact CG-CD1 4.01Å; E2199-L2202 PolarHBondContact O-N 3.16Å; E2199-L2202 VanDerWaalsContact O-N 3.13Å; E2199-L2202 WeakPolarHBondContact OE1-CD1 3.47Å |
| 2200 | N | 47.2 | Very low | 38.3 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 51% | 0.508 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | -34.3 | 173.2 | -66.6 | -50.8 | 0 | 0 | 0 | 113.2 | E1723 K1724 D2198 L2202 K2203 S2204 | E1723-N2200 PolarHBondContact OE1-ND2 3.44Å; K1724-N2200 WeakPolarHBondContact CE-ND2 3.06Å; K1724-N2200 PolarHBondContact NZ-ND2 3.48Å; K1724-N2200 VanDerWaalsContact NZ-ND2 3.14Å; D2198-N2200 PolarHBondContact O-N 2.98Å; D2198-N2200 VanDerWaalsContact O-N 3.1Å; D2198-N2200 WeakPolarHBondContact OD1-CB 3.4Å; D2198-N2200 PolarHBondContact OD1-N 3.23Å; D2198-N2200 PolarHBondContact OD1-ND2 3.08Å; D2198-N2200 PolarHBondContact OD2-ND2 3.06Å; N2200-L2202 VanDerWaalsContact C-N 3.29Å; N2200-L2202 PolarHBondContact O-N 3.24Å; N2200-K2203 WeakPolarHBondContact O-CB 3.22Å; N2200-K2203 PolarHBondContact O-N 3.07Å; N2200-S2204 PolarHBondContact O-N 3.25Å; N2200-S2204 PolarHBondContact O-OG 2.97Å |
| 2201 | D | 44.3 | Very low | 39 | Very low | 107 Ų | 107 | 132 Ų | 132 | 57% | 0.572 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.3 | -21.3 | 178 | -80.1 | -31.1 | 0 | 0 | 0 | 113.5 | D2198 E2199 K2203 S2204 N2205 | D2198-D2201 PolarHBondContact O-N 2.85Å; D2198-D2201 VanDerWaalsContact O-N 3.14Å; E2199-D2201 PolarHBondContact O-N 3.44Å; D2201-K2203 VanDerWaalsContact C-N 3.3Å; D2201-K2203 PolarHBondContact O-N 3.3Å; D2201-S2204 WeakPolarHBondContact CA-OG 3.4Å; D2201-S2204 PolarHBondContact O-OG 3.11Å; D2201-N2205 PolarHBondContact O-N 3.21Å; D2201-N2205 PolarHBondContact O-ND2 3.12Å |
| 2202 | L | 39.9 | Very low | 39.8 | Very low | 126.333 Ų | 126.333 | 135.2 Ų | 135.2 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -83.3 | 2.9 | 172 | -85.8 | 163.9 | 0 | 0 | 0 | 113.7 | E2199 N2200 | E2199-L2202 HydrophobicContact CB-CB 4.48Å; E2199-L2202 HydrophobicContact CB-CD1 4.45Å; E2199-L2202 HydrophobicContact CG-CD1 4.01Å; E2199-L2202 PolarHBondContact O-N 3.16Å; E2199-L2202 VanDerWaalsContact O-N 3.13Å; E2199-L2202 WeakPolarHBondContact OE1-CD1 3.47Å; N2200-L2202 VanDerWaalsContact C-N 3.29Å; N2200-L2202 PolarHBondContact O-N 3.24Å |
| 2203 | K | 41.6 | Very low | 40.4 | Very low | 163.333 Ų | 163.333 | 132.6 Ų | 132.6 | 71% | 0.71 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -105.4 | -21.9 | 173 | -86 | 172.9 | -178.5 | 150.1 | 0 | 113.9 | N2200 D2201 L2206 | N2200-K2203 WeakPolarHBondContact O-CB 3.22Å; N2200-K2203 PolarHBondContact O-N 3.07Å; D2201-K2203 VanDerWaalsContact C-N 3.3Å; D2201-K2203 PolarHBondContact O-N 3.3Å; K2203-L2206 PolarHBondContact O-N 2.92Å |
| 2204 | S | 39.2 | Very low | 41.3 | Very low | 68 Ų | 68 | 127 Ų | 127 | 48% | 0.476 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -87.7 | -31.9 | -178.2 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | N2200 D2201 L2206 | N2200-S2204 PolarHBondContact O-N 3.25Å; N2200-S2204 PolarHBondContact O-OG 2.97Å; D2201-S2204 WeakPolarHBondContact CA-OG 3.4Å; D2201-S2204 PolarHBondContact O-OG 3.11Å; S2204-L2206 VanDerWaalsContact C-N 3.33Å; S2204-L2206 PolarHBondContact O-N 3.04Å; S2204-L2206 VanDerWaalsContact O-N 3.16Å |
| 2205 | N | 38.7 | Very low | 42.6 | Very low | 133.333 Ų | 133.333 | 122.9 Ų | 122.9 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 29 | -172.1 | -67.8 | -69.6 | 0 | 0 | 0 | 115 | D2201 | D2201-N2205 PolarHBondContact O-N 3.21Å; D2201-N2205 PolarHBondContact O-ND2 3.12Å |
| 2206 | L | 39 | Very low | 44.2 | Very low | 135.667 Ų | 135.667 | 120.9 Ų | 120.9 | 71% | 0.71 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 42 | 168.4 | -150.7 | 76.8 | 0 | 0 | 0 | 112.8 | K2203 S2204 Y2208 | K2203-L2206 PolarHBondContact O-N 2.92Å; S2204-L2206 VanDerWaalsContact C-N 3.33Å; S2204-L2206 PolarHBondContact O-N 3.04Å; S2204-L2206 VanDerWaalsContact O-N 3.16Å; L2206-Y2208 HydrophobicContact CD1-CD2 4.49Å; L2206-Y2208 HydrophobicContact CG-CD2 4.4Å; L2206-Y2208 PolarHBondContact O-N 3.3Å |
| 2207 | E | 35.2 | Very low | 45.8 | Very low | 177.333 Ų | 177.333 | 122 Ų | 122 | 83% | 0.829 | 65% | 0.645 | S | S | * | * | trans | -69.7 | 82.6 | 166.4 | -97.4 | -176.9 | 150.3 | 0 | 0 | 110.8 | S2209 | E2207-S2209 PolarHBondContact O-N 2.82Å; E2207-S2209 VanDerWaalsContact O-N 3.1Å | ||
| 2208 | Y | 36.7 | Very low | 47.2 | Very low | 204.333 Ų | 204.333 | 118.9 Ų | 118.9 | 80% | 0.801 | 63% | 0.629 | S | S | * | * | trans | -79.7 | 115.8 | 159.3 | -100.3 | -90.3 | 0 | 0 | 0 | 108.7 | L2206 P2210 | L2206-Y2208 HydrophobicContact CD1-CD2 4.49Å; L2206-Y2208 HydrophobicContact CG-CD2 4.4Å; L2206-Y2208 PolarHBondContact O-N 3.3Å; Y2208-P2210 VanDerWaalsContact O-CD 3.29Å; Y2208-P2210 WeakPolarHBondContact O-CD 3.29Å | ||
| 2209 | S | 33 | Very low | 48.9 | Very low | 87.3333 Ų | 87.3333 | 117.3 Ų | 117.3 | 61% | 0.611 | 62% | 0.624 | S | S | * | * | trans | -56.1 | 123.6 | -167.9 | -60.6 | 0 | 0 | 0 | 0 | 112 | E2207 T2211 | E2207-S2209 PolarHBondContact O-N 2.82Å; E2207-S2209 VanDerWaalsContact O-N 3.1Å; S2209-T2211 PolarHBondContact O-N 3.06Å | ||
| 2210 | P | 42.7 | Very low | 50.4 | Low | 124.333 Ų | 124.333 | 114.1 Ų | 114.1 | 81% | 0.807 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 31.8 | 174.3 | -5.6 | 13.9 | 0 | 0 | 0 | 113.2 | Y2208 M2212 | Y2208-P2210 VanDerWaalsContact O-CD 3.29Å; Y2208-P2210 WeakPolarHBondContact O-CD 3.29Å; P2210-M2212 PolarHBondContact O-N 3.24Å |
| 2211 | T | 48.6 | Very low | 51.9 | Low | 120 Ų | 120 | 114 Ų | 114 | 74% | 0.736 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 20.1 | -167.2 | -35.1 | 0 | 0 | 0 | 0 | 111.8 | S2209 I2213 | S2209-T2211 PolarHBondContact O-N 3.06Å; T2211-I2213 PolarHBondContact O-N 2.93Å |
| 2212 | M | 49.7 | Very low | 53.6 | Low | 169.333 Ų | 169.333 | 115.2 Ų | 115.2 | 83% | 0.834 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -80.7 | 21.3 | -173.4 | -78 | -68 | -62.3 | 0 | 0 | 113.8 | P2210 S2214 | P2210-M2212 PolarHBondContact O-N 3.24Å; M2212-S2214 PolarHBondContact O-N 2.88Å |
| 2213 | I | 48.2 | Very low | 55.6 | Low | 98.3333 Ų | 98.3333 | 113.5 Ų | 113.5 | 50% | 0.504 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -109.7 | 118.6 | 174.7 | -50.4 | 178 | 0 | 0 | 0 | 107.1 | T2211 K2217 L2218 | T2211-I2213 PolarHBondContact O-N 2.93Å; I2213-K2217 HydrophobicContact CG2-CB 3.57Å; I2213-L2218 HydrophobicContact CB-CD1 4.39Å; I2213-L2218 HydrophobicContact CB-CD2 4.42Å; I2213-L2218 HydrophobicContact CB-CG 4.19Å; I2213-L2218 HydrophobicContact CD1-CD2 4.24Å; I2213-L2218 HydrophobicContact CG2-CD1 4.35Å; I2213-L2218 HydrophobicContact CG2-CD2 4.16Å; I2213-L2218 HydrophobicContact CG2-CG 3.88Å |
| 2214 | S | 56.5 | Low | 57.6 | Low | 49 Ų | 49 | 108.2 Ų | 108.2 | 34% | 0.343 | 59% | 0.591 | S | S | . | * | trans | -63.4 | 156.4 | 179.9 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | M2212 D2216 K2217 L2218 | M2212-S2214 PolarHBondContact O-N 2.88Å; S2214-D2216 VanDerWaalsContact CB-OD2 3.26Å; S2214-D2216 WeakPolarHBondContact CB-OD2 3.34Å; S2214-D2216 PolarHBondContact O-N 3.02Å; S2214-D2216 VanDerWaalsContact O-N 3.11Å; S2214-D2216 PolarHBondContact OG-OD2 3.09Å; S2214-K2217 PolarHBondContact O-N 3.02Å; S2214-K2217 VanDerWaalsContact O-N 3.08Å; S2214-K2217 PolarHBondContact OG-N 3.16Å; S2214-L2218 PolarHBondContact O-N 2.94Å | ||
| 2215 | A | 64.4 | Low | 60 | Low | 79.6667 Ų | 79.6667 | 110.7 Ų | 110.7 | 66% | 0.658 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.8 | -32.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L2218 S2219 | A2215-L2218 CarbonylContact O-C 3.58Å; A2215-L2218 WeakPolarHBondContact O-CB 3.31Å; A2215-L2218 PolarHBondContact O-N 3.17Å; A2215-S2219 PolarHBondContact O-N 3.11Å; A2215-S2219 VanDerWaalsContact O-N 3.07Å; A2215-S2219 PolarHBondContact O-OG 3.3Å |
| 2216 | D | 68.5 | Low | 62.4 | Low | 103.333 Ų | 103.333 | 111.7 Ų | 111.7 | 55% | 0.553 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66 | -52.2 | 178.4 | -26.4 | -73.2 | 0 | 0 | 0 | 110.6 | S2214 L2218 S2219 D2220 | S2214-D2216 VanDerWaalsContact CB-OD2 3.26Å; S2214-D2216 WeakPolarHBondContact CB-OD2 3.34Å; S2214-D2216 PolarHBondContact O-N 3.02Å; S2214-D2216 VanDerWaalsContact O-N 3.11Å; S2214-D2216 PolarHBondContact OG-OD2 3.09Å; D2216-L2218 VanDerWaalsContact C-N 3.26Å; D2216-L2218 PolarHBondContact O-N 3.09Å; D2216-S2219 WeakPolarHBondContact CA-OG 3.49Å; D2216-S2219 CarbonylContact O-C 3.57Å; D2216-S2219 VanDerWaalsContact O-CA 3.29Å; D2216-S2219 WeakPolarHBondContact O-CA 3.4Å; D2216-S2219 VanDerWaalsContact O-CB 3.28Å; D2216-S2219 WeakPolarHBondContact O-CB 3.42Å; D2216-S2219 PolarHBondContact O-N 3.04Å; D2216-S2219 PolarHBondContact O-OG 2.99Å; D2216-D2220 VanDerWaalsContact O-CG 3.29Å; D2216-D2220 PolarHBondContact O-N 3.06Å |
| 2217 | K | 67.7 | Low | 64.8 | Low | 132.667 Ų | 132.667 | 110.3 Ų | 110.3 | 58% | 0.577 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.3 | -32.4 | 174.4 | -72.4 | -173 | 176.9 | -172.6 | 0 | 112.6 | I2213 S2214 S2219 D2220 V2221 | I2213-K2217 HydrophobicContact CG2-CB 3.57Å; S2214-K2217 PolarHBondContact O-N 3.02Å; S2214-K2217 VanDerWaalsContact O-N 3.08Å; S2214-K2217 PolarHBondContact OG-N 3.16Å; K2217-S2219 VanDerWaalsContact C-N 3.26Å; K2217-S2219 PolarHBondContact O-N 3.07Å; K2217-D2220 WeakPolarHBondContact CA-OD2 3.28Å; K2217-D2220 PolarHBondContact O-N 2.96Å; K2217-V2221 WeakPolarHBondContact O-CG2 3.37Å; K2217-V2221 PolarHBondContact O-N 3.27Å; K2217-V2221 VanDerWaalsContact O-N 3.1Å |
| 2218 | L | 67.4 | Low | 67.5 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73 | -17.8 | 171.8 | -87.4 | 167.6 | 0 | 0 | 0 | 113.9 | I2213 S2214 A2215 D2216 K2222 | I2213-L2218 HydrophobicContact CB-CD1 4.39Å; I2213-L2218 HydrophobicContact CB-CD2 4.42Å; I2213-L2218 HydrophobicContact CB-CG 4.19Å; I2213-L2218 HydrophobicContact CD1-CD2 4.24Å; I2213-L2218 HydrophobicContact CG2-CD1 4.35Å; I2213-L2218 HydrophobicContact CG2-CD2 4.16Å; I2213-L2218 HydrophobicContact CG2-CG 3.88Å; S2214-L2218 PolarHBondContact O-N 2.94Å; A2215-L2218 CarbonylContact O-C 3.58Å; A2215-L2218 WeakPolarHBondContact O-CB 3.31Å; A2215-L2218 PolarHBondContact O-N 3.17Å; D2216-L2218 VanDerWaalsContact C-N 3.26Å; D2216-L2218 PolarHBondContact O-N 3.09Å; L2218-K2222 VanDerWaalsContact O-CD 3.23Å; L2218-K2222 WeakPolarHBondContact O-CD 3.34Å; L2218-K2222 WeakPolarHBondContact O-CE 3.36Å; L2218-K2222 VanDerWaalsContact O-CG 3.27Å; L2218-K2222 WeakPolarHBondContact O-CG 3.36Å |
| 2219 | S | 74.5 | Confident | 70.2 | Confident | 50.6667 Ų | 50.6667 | 101.9 Ų | 101.9 | 35% | 0.354 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -84.2 | -39.4 | 167.2 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | A2215 D2216 K2217 V2221 K2222 N2223 | A2215-S2219 PolarHBondContact O-N 3.11Å; A2215-S2219 VanDerWaalsContact O-N 3.07Å; A2215-S2219 PolarHBondContact O-OG 3.3Å; D2216-S2219 WeakPolarHBondContact CA-OG 3.49Å; D2216-S2219 CarbonylContact O-C 3.57Å; D2216-S2219 VanDerWaalsContact O-CA 3.29Å; D2216-S2219 WeakPolarHBondContact O-CA 3.4Å; D2216-S2219 VanDerWaalsContact O-CB 3.28Å; D2216-S2219 WeakPolarHBondContact O-CB 3.42Å; D2216-S2219 PolarHBondContact O-N 3.04Å; D2216-S2219 PolarHBondContact O-OG 2.99Å; K2217-S2219 VanDerWaalsContact C-N 3.26Å; K2217-S2219 PolarHBondContact O-N 3.07Å; S2219-V2221 PolarHBondContact O-N 2.95Å; S2219-K2222 CarbonylContact O-C 3.57Å; S2219-K2222 WeakPolarHBondContact O-CA 3.4Å; S2219-K2222 WeakPolarHBondContact O-CB 3.34Å; S2219-K2222 PolarHBondContact O-N 3.15Å; S2219-N2223 WeakPolarHBondContact O-CB 3.42Å; S2219-N2223 VanDerWaalsContact O-CG 3.28Å; S2219-N2223 PolarHBondContact O-N 3.29Å; S2219-N2223 PolarHBondContact O-ND2 3.17Å |
| 2220 | D | 76 | Confident | 73 | Confident | 90.3333 Ų | 90.3333 | 100.6 Ų | 100.6 | 48% | 0.483 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 177.8 | -59.1 | -32.6 | 0 | 0 | 0 | 111.7 | D2216 K2217 K2222 N2223 S2224 | D2216-D2220 VanDerWaalsContact O-CG 3.29Å; D2216-D2220 PolarHBondContact O-N 3.06Å; K2217-D2220 WeakPolarHBondContact CA-OD2 3.28Å; K2217-D2220 PolarHBondContact O-N 2.96Å; D2220-K2222 VanDerWaalsContact C-N 3.27Å; D2220-K2222 PolarHBondContact O-N 3.15Å; D2220-N2223 WeakPolarHBondContact O-CB 3.45Å; D2220-N2223 PolarHBondContact O-N 3.27Å; D2220-N2223 VanDerWaalsContact O-N 3.1Å; D2220-S2224 WeakPolarHBondContact O-CB 3.4Å; D2220-S2224 PolarHBondContact O-N 3.02Å; D2220-S2224 PolarHBondContact O-OG 3.05Å |
| 2221 | V | 77.1 | Confident | 75.4 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -30.2 | 174.7 | 173 | 0 | 0 | 0 | 0 | 112.3 | K2217 S2219 S2224 Q2225 | K2217-V2221 WeakPolarHBondContact O-CG2 3.37Å; K2217-V2221 PolarHBondContact O-N 3.27Å; K2217-V2221 VanDerWaalsContact O-N 3.1Å; S2219-V2221 PolarHBondContact O-N 2.95Å; V2221-S2224 WeakPolarHBondContact CA-OG 3.44Å; V2221-S2224 PolarHBondContact O-OG 3.17Å; V2221-Q2225 VanDerWaalsContact O-CB 3.25Å; V2221-Q2225 WeakPolarHBondContact O-CB 3.23Å; V2221-Q2225 PolarHBondContact O-N 3.14Å; V2221-Q2225 VanDerWaalsContact O-N 3.1Å |
| 2222 | K | 79.9 | Confident | 77.6 | Confident | 131.667 Ų | 131.667 | 97.2 Ų | 97.2 | 57% | 0.572 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -78.3 | -33.2 | 174.1 | -71.9 | 171.2 | -172.2 | 159.7 | 0 | 112.3 | L2218 S2219 D2220 K2226 | L2218-K2222 VanDerWaalsContact O-CD 3.23Å; L2218-K2222 WeakPolarHBondContact O-CD 3.34Å; L2218-K2222 WeakPolarHBondContact O-CE 3.36Å; L2218-K2222 VanDerWaalsContact O-CG 3.27Å; L2218-K2222 WeakPolarHBondContact O-CG 3.36Å; S2219-K2222 CarbonylContact O-C 3.57Å; S2219-K2222 WeakPolarHBondContact O-CA 3.4Å; S2219-K2222 WeakPolarHBondContact O-CB 3.34Å; S2219-K2222 PolarHBondContact O-N 3.15Å; D2220-K2222 VanDerWaalsContact C-N 3.27Å; D2220-K2222 PolarHBondContact O-N 3.15Å; K2222-K2226 VanDerWaalsContact O-CB 3.27Å; K2222-K2226 WeakPolarHBondContact O-CB 3.15Å; K2222-K2226 PolarHBondContact O-N 3.11Å |
| 2223 | N | 82.6 | Confident | 79.7 | Confident | 90 Ų | 90 | 95 Ų | 95 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -47.8 | 176.1 | -70.4 | -27.2 | 0 | 0 | 0 | 110.2 | S2219 D2220 Q2225 K2226 E2227 | S2219-N2223 WeakPolarHBondContact O-CB 3.42Å; S2219-N2223 VanDerWaalsContact O-CG 3.28Å; S2219-N2223 PolarHBondContact O-N 3.29Å; S2219-N2223 PolarHBondContact O-ND2 3.17Å; D2220-N2223 WeakPolarHBondContact O-CB 3.45Å; D2220-N2223 PolarHBondContact O-N 3.27Å; D2220-N2223 VanDerWaalsContact O-N 3.1Å; N2223-Q2225 PolarHBondContact O-N 3.03Å; N2223-K2226 CarbonylContact O-C 3.58Å; N2223-K2226 WeakPolarHBondContact O-CB 3.41Å; N2223-K2226 PolarHBondContact O-N 3.25Å; N2223-K2226 VanDerWaalsContact O-N 3.12Å; N2223-E2227 WeakPolarHBondContact O-CB 3.35Å; N2223-E2227 PolarHBondContact O-N 3.13Å |
| 2224 | S | 84.1 | Confident | 81.9 | Confident | 53 Ų | 53 | 94.4 Ų | 94.4 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 174.2 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | D2220 V2221 K2226 E2227 L2228 | D2220-S2224 WeakPolarHBondContact O-CB 3.4Å; D2220-S2224 PolarHBondContact O-N 3.02Å; D2220-S2224 PolarHBondContact O-OG 3.05Å; V2221-S2224 WeakPolarHBondContact CA-OG 3.44Å; V2221-S2224 PolarHBondContact O-OG 3.17Å; S2224-K2226 VanDerWaalsContact C-N 3.32Å; S2224-K2226 PolarHBondContact O-N 3.3Å; S2224-E2227 PolarHBondContact O-N 3.24Å; S2224-L2228 WeakPolarHBondContact O-CB 3.39Å; S2224-L2228 VanDerWaalsContact O-CG 3.29Å; S2224-L2228 WeakPolarHBondContact O-CG 3.38Å; S2224-L2228 PolarHBondContact O-N 3.34Å |
| 2225 | Q | 89.1 | Confident | 83.7 | Confident | 121 Ų | 121 | 98.3 Ų | 98.3 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 171.6 | -172.5 | -178.8 | 36.5 | 0 | 0 | 112.3 | V2221 N2223 L2229 | V2221-Q2225 VanDerWaalsContact O-CB 3.25Å; V2221-Q2225 WeakPolarHBondContact O-CB 3.23Å; V2221-Q2225 PolarHBondContact O-N 3.14Å; V2221-Q2225 VanDerWaalsContact O-N 3.1Å; N2223-Q2225 PolarHBondContact O-N 3.03Å; Q2225-L2229 HydrophobicContact CG-CD1 4.26Å; Q2225-L2229 WeakPolarHBondContact O-CB 3.37Å; Q2225-L2229 WeakPolarHBondContact O-CD1 3.45Å; Q2225-L2229 VanDerWaalsContact O-CG 3.24Å; Q2225-L2229 WeakPolarHBondContact O-CG 3.19Å; Q2225-L2229 PolarHBondContact O-N 3.16Å; Q2225-L2229 VanDerWaalsContact O-N 3.1Å |
| 2226 | K | 90.3 | Very high | 85 | Confident | 153 Ų | 153 | 99.2 Ų | 99.2 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 176.3 | 179.6 | -171.1 | 172.4 | -162.8 | 0 | 111.6 | K2222 N2223 S2224 L2229 S2230 | K2222-K2226 VanDerWaalsContact O-CB 3.27Å; K2222-K2226 WeakPolarHBondContact O-CB 3.15Å; K2222-K2226 PolarHBondContact O-N 3.11Å; N2223-K2226 CarbonylContact O-C 3.58Å; N2223-K2226 WeakPolarHBondContact O-CB 3.41Å; N2223-K2226 PolarHBondContact O-N 3.25Å; N2223-K2226 VanDerWaalsContact O-N 3.12Å; S2224-K2226 VanDerWaalsContact C-N 3.32Å; S2224-K2226 PolarHBondContact O-N 3.3Å; K2226-L2229 CarbonylContact O-C 3.55Å; K2226-L2229 PolarHBondContact O-N 3.15Å; K2226-S2230 PolarHBondContact O-N 3.04Å; K2226-S2230 PolarHBondContact O-OG 3.21Å |
| 2227 | E | 89.4 | Confident | 86.3 | Confident | 107.333 Ų | 107.333 | 102.6 Ų | 102.6 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -49.3 | 177.9 | -169.1 | -173.2 | 153.7 | 0 | 0 | 111.8 | N2223 S2224 L2229 S2230 N2231 | N2223-E2227 WeakPolarHBondContact O-CB 3.35Å; N2223-E2227 PolarHBondContact O-N 3.13Å; S2224-E2227 PolarHBondContact O-N 3.24Å; E2227-L2229 VanDerWaalsContact C-N 3.29Å; E2227-L2229 PolarHBondContact O-N 3.03Å; E2227-S2230 VanDerWaalsContact CA-OG 3.31Å; E2227-S2230 WeakPolarHBondContact CA-OG 3.32Å; E2227-S2230 CarbonylContact O-C 3.51Å; E2227-S2230 WeakPolarHBondContact O-CA 3.45Å; E2227-S2230 WeakPolarHBondContact O-CB 3.16Å; E2227-S2230 PolarHBondContact O-N 3.11Å; E2227-S2230 PolarHBondContact O-OG 3.21Å; E2227-N2231 WeakPolarHBondContact O-CB 3.28Å; E2227-N2231 VanDerWaalsContact O-CG 3.26Å; E2227-N2231 PolarHBondContact O-N 3.08Å; E2227-N2231 PolarHBondContact O-OD1 2.99Å |
| 2228 | L | 90.9 | Very high | 87.6 | Confident | 119 Ų | 119 | 102.9 Ų | 102.9 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.7 | -40.4 | 172.5 | -71.6 | 169 | 0 | 0 | 0 | 111.4 | S2224 S2230 N2231 L2232 | S2224-L2228 WeakPolarHBondContact O-CB 3.39Å; S2224-L2228 VanDerWaalsContact O-CG 3.29Å; S2224-L2228 WeakPolarHBondContact O-CG 3.38Å; S2224-L2228 PolarHBondContact O-N 3.34Å; L2228-S2230 VanDerWaalsContact C-N 3.33Å; L2228-S2230 PolarHBondContact O-N 3.16Å; L2228-N2231 PolarHBondContact O-N 3.36Å; L2228-L2232 VanDerWaalsContact O-CB 3.26Å; L2228-L2232 WeakPolarHBondContact O-CB 3.46Å; L2228-L2232 PolarHBondContact O-N 3.28Å |
| 2229 | L | 93.2 | Very high | 88.9 | Confident | 85.6667 Ų | 85.6667 | 104.4 Ų | 104.4 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -21 | 174.3 | -74.6 | 171.2 | 0 | 0 | 0 | 114.2 | Q2225 K2226 E2227 K2233 | Q2225-L2229 HydrophobicContact CG-CD1 4.26Å; Q2225-L2229 WeakPolarHBondContact O-CB 3.37Å; Q2225-L2229 WeakPolarHBondContact O-CD1 3.45Å; Q2225-L2229 VanDerWaalsContact O-CG 3.24Å; Q2225-L2229 WeakPolarHBondContact O-CG 3.19Å; Q2225-L2229 PolarHBondContact O-N 3.16Å; Q2225-L2229 VanDerWaalsContact O-N 3.1Å; K2226-L2229 CarbonylContact O-C 3.55Å; K2226-L2229 PolarHBondContact O-N 3.15Å; E2227-L2229 VanDerWaalsContact C-N 3.29Å; E2227-L2229 PolarHBondContact O-N 3.03Å; L2229-K2233 VanDerWaalsContact O-CD 3.31Å; L2229-K2233 WeakPolarHBondContact O-CD 3.43Å; L2229-K2233 WeakPolarHBondContact O-CE 3.23Å; L2229-K2233 VanDerWaalsContact O-CG 3.24Å; L2229-K2233 WeakPolarHBondContact O-CG 3.3Å; L2229-K2233 PolarHBondContact O-N 2.94Å |
| 2230 | S | 92.3 | Very high | 89.9 | Confident | 60 Ų | 60 | 107.5 Ų | 107.5 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -82.7 | -40.3 | 169.5 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | K2226 E2227 L2228 L2232 K2233 L2234 | K2226-S2230 PolarHBondContact O-N 3.04Å; K2226-S2230 PolarHBondContact O-OG 3.21Å; E2227-S2230 VanDerWaalsContact CA-OG 3.31Å; E2227-S2230 WeakPolarHBondContact CA-OG 3.32Å; E2227-S2230 CarbonylContact O-C 3.51Å; E2227-S2230 WeakPolarHBondContact O-CA 3.45Å; E2227-S2230 WeakPolarHBondContact O-CB 3.16Å; E2227-S2230 PolarHBondContact O-N 3.11Å; E2227-S2230 PolarHBondContact O-OG 3.21Å; L2228-S2230 VanDerWaalsContact C-N 3.33Å; L2228-S2230 PolarHBondContact O-N 3.16Å; S2230-L2232 PolarHBondContact O-N 2.89Å; S2230-K2233 CarbonylContact O-C 3.59Å; S2230-K2233 WeakPolarHBondContact O-CB 3.43Å; S2230-K2233 PolarHBondContact O-N 3.18Å; S2230-K2233 VanDerWaalsContact O-N 3.11Å; S2230-L2234 WeakPolarHBondContact O-CB 3.36Å; S2230-L2234 PolarHBondContact O-N 3.33Å |
| 2231 | N | 92.5 | Very high | 90.8 | Very high | 68.3333 Ų | 68.3333 | 109.3 Ų | 109.3 | 37% | 0.365 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 179.3 | -66.5 | -11.2 | 0 | 0 | 0 | 110.8 | E2227 L2228 K2233 L2234 Q2235 | E2227-N2231 WeakPolarHBondContact O-CB 3.28Å; E2227-N2231 VanDerWaalsContact O-CG 3.26Å; E2227-N2231 PolarHBondContact O-N 3.08Å; E2227-N2231 PolarHBondContact O-OD1 2.99Å; L2228-N2231 PolarHBondContact O-N 3.36Å; N2231-K2233 VanDerWaalsContact C-N 3.32Å; N2231-K2233 PolarHBondContact O-N 3.13Å; N2231-L2234 WeakPolarHBondContact O-CB 3.45Å; N2231-L2234 PolarHBondContact O-N 3.34Å; N2231-L2234 VanDerWaalsContact O-N 3.1Å; N2231-Q2235 WeakPolarHBondContact O-CG 3.34Å; N2231-Q2235 PolarHBondContact O-N 2.86Å |
| 2232 | L | 94.8 | Very high | 91.5 | Very high | 105.667 Ų | 105.667 | 108.5 Ų | 108.5 | 55% | 0.553 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -39.6 | 171.6 | -175.7 | 64.7 | 0 | 0 | 0 | 112.2 | L2228 S2230 L2234 Q2235 E2236 | L2228-L2232 VanDerWaalsContact O-CB 3.26Å; L2228-L2232 WeakPolarHBondContact O-CB 3.46Å; L2228-L2232 PolarHBondContact O-N 3.28Å; S2230-L2232 PolarHBondContact O-N 2.89Å; L2232-L2234 VanDerWaalsContact C-N 3.34Å; L2232-Q2235 PolarHBondContact O-N 3Å; L2232-E2236 WeakPolarHBondContact O-CB 3.34Å; L2232-E2236 PolarHBondContact O-N 3.23Å |
| 2233 | K | 93.8 | Very high | 92.2 | Very high | 122.667 Ų | 122.667 | 106.2 Ų | 106.2 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.1 | -29.2 | 174.9 | -75.3 | 172.5 | -172.8 | 166.7 | 0 | 113 | L2229 S2230 N2231 E2236 R2237 | L2229-K2233 VanDerWaalsContact O-CD 3.31Å; L2229-K2233 WeakPolarHBondContact O-CD 3.43Å; L2229-K2233 WeakPolarHBondContact O-CE 3.23Å; L2229-K2233 VanDerWaalsContact O-CG 3.24Å; L2229-K2233 WeakPolarHBondContact O-CG 3.3Å; L2229-K2233 PolarHBondContact O-N 2.94Å; S2230-K2233 CarbonylContact O-C 3.59Å; S2230-K2233 WeakPolarHBondContact O-CB 3.43Å; S2230-K2233 PolarHBondContact O-N 3.18Å; S2230-K2233 VanDerWaalsContact O-N 3.11Å; N2231-K2233 VanDerWaalsContact C-N 3.32Å; N2231-K2233 PolarHBondContact O-N 3.13Å; K2233-E2236 PolarHBondContact O-N 2.81Å; K2233-R2237 VanDerWaalsContact O-CG 3.27Å; K2233-R2237 WeakPolarHBondContact O-CG 3.3Å; K2233-R2237 PolarHBondContact O-N 3.42Å; K2233-R2237 VanDerWaalsContact O-N 3.13Å |
| 2234 | L | 94 | Very high | 92.7 | Very high | 86 Ų | 86 | 104.6 Ų | 104.6 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.3 | -44.1 | 174.1 | -176.8 | 60.5 | 0 | 0 | 0 | 110.7 | S2230 N2231 L2232 R2237 K2238 | S2230-L2234 WeakPolarHBondContact O-CB 3.36Å; S2230-L2234 PolarHBondContact O-N 3.33Å; N2231-L2234 WeakPolarHBondContact O-CB 3.45Å; N2231-L2234 PolarHBondContact O-N 3.34Å; N2231-L2234 VanDerWaalsContact O-N 3.1Å; L2232-L2234 VanDerWaalsContact C-N 3.34Å; L2234-R2237 WeakPolarHBondContact O-CB 3.39Å; L2234-R2237 PolarHBondContact O-N 2.88Å; L2234-K2238 PolarHBondContact O-N 3.12Å |
| 2235 | Q | 94.2 | Very high | 93.2 | Very high | 129.333 Ų | 129.333 | 106.9 Ų | 106.9 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -43.5 | 170.9 | -72 | 177.6 | -17.3 | 0 | 0 | 111.7 | N2231 L2232 R2237 K2238 L2239 | N2231-Q2235 WeakPolarHBondContact O-CG 3.34Å; N2231-Q2235 PolarHBondContact O-N 2.86Å; L2232-Q2235 PolarHBondContact O-N 3Å; Q2235-R2237 VanDerWaalsContact C-N 3.27Å; Q2235-R2237 PolarHBondContact O-N 3.13Å; Q2235-K2238 PolarHBondContact O-N 3.2Å; Q2235-K2238 VanDerWaalsContact O-N 3.16Å; Q2235-L2239 WeakPolarHBondContact O-CB 3.41Å; Q2235-L2239 PolarHBondContact O-N 3Å |
| 2236 | E | 93.1 | Very high | 93.4 | Very high | 98.6667 Ų | 98.6667 | 106.3 Ų | 106.3 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -35 | 175.7 | -160.4 | -153.1 | -177.6 | 0 | 0 | 112.2 | L2232 K2233 K2240 | L2232-E2236 WeakPolarHBondContact O-CB 3.34Å; L2232-E2236 PolarHBondContact O-N 3.23Å; K2233-E2236 PolarHBondContact O-N 2.81Å; E2236-K2240 VanDerWaalsContact CD-CE 3.48Å; E2236-K2240 HydrophobicContact CG-CD 4.47Å; E2236-K2240 WeakPolarHBondContact O-CB 3.45Å; E2236-K2240 VanDerWaalsContact O-CD 3.31Å; E2236-K2240 WeakPolarHBondContact O-CD 3.36Å; E2236-K2240 VanDerWaalsContact O-CG 3.24Å; E2236-K2240 WeakPolarHBondContact O-CG 3.34Å; E2236-K2240 PolarHBondContact O-N 3.39Å; E2236-K2240 VanDerWaalsContact O-N 3.13Å; E2236-K2240 VanDerWaalsContact OE1-CE 3.28Å; E2236-K2240 WeakPolarHBondContact OE1-CE 3.39Å; E2236-K2240 IonicContact OE1-NZ 2.72Å; E2236-K2240 PolarHBondContact OE1-NZ 2.78Å; E2236-K2240 IonicContact OE2-NZ 2.62Å; E2236-K2240 PolarHBondContact OE2-NZ 3.03Å |
| 2237 | R | 94.7 | Very high | 93.6 | Very high | 175 Ų | 175 | 107.5 Ų | 107.5 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.9 | -49.2 | 172.9 | -73.1 | 169.2 | -178 | -179.9 | 0 | 112.1 | K2233 L2234 Q2235 L2239 K2240 Q2241 | K2233-R2237 VanDerWaalsContact O-CG 3.27Å; K2233-R2237 WeakPolarHBondContact O-CG 3.3Å; K2233-R2237 PolarHBondContact O-N 3.42Å; K2233-R2237 VanDerWaalsContact O-N 3.13Å; L2234-R2237 WeakPolarHBondContact O-CB 3.39Å; L2234-R2237 PolarHBondContact O-N 2.88Å; Q2235-R2237 VanDerWaalsContact C-N 3.27Å; Q2235-R2237 PolarHBondContact O-N 3.13Å; R2237-L2239 VanDerWaalsContact C-N 3.3Å; R2237-L2239 PolarHBondContact O-N 2.9Å; R2237-K2240 PolarHBondContact O-N 2.93Å; R2237-K2240 VanDerWaalsContact O-N 3.08Å; R2237-Q2241 PolarHBondContact O-N 3.14Å |
| 2238 | K | 94.9 | Very high | 93.8 | Very high | 139 Ų | 139 | 104.9 Ų | 104.9 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.4 | -47.3 | 177.4 | -72.6 | -171.8 | 175.9 | -171.4 | 0 | 110.9 | L2234 Q2235 K2240 Q2241 E2242 | L2234-K2238 PolarHBondContact O-N 3.12Å; Q2235-K2238 PolarHBondContact O-N 3.2Å; Q2235-K2238 VanDerWaalsContact O-N 3.16Å; K2238-K2240 PolarHBondContact O-N 3.05Å; K2238-Q2241 WeakPolarHBondContact O-CB 3.38Å; K2238-Q2241 PolarHBondContact O-N 3.38Å; K2238-Q2241 VanDerWaalsContact O-N 3.13Å; K2238-E2242 PolarHBondContact O-N 3.29Å |
| 2239 | L | 95.4 | Very high | 94 | Very high | 111.333 Ų | 111.333 | 103.8 Ų | 103.8 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 177.3 | -174.6 | 64.6 | 0 | 0 | 0 | 112.9 | Q2235 R2237 Q2241 E2242 L2243 | Q2235-L2239 WeakPolarHBondContact O-CB 3.41Å; Q2235-L2239 PolarHBondContact O-N 3Å; R2237-L2239 VanDerWaalsContact C-N 3.3Å; R2237-L2239 PolarHBondContact O-N 2.9Å; L2239-Q2241 VanDerWaalsContact C-N 3.34Å; L2239-Q2241 PolarHBondContact O-N 2.79Å; L2239-E2242 PolarHBondContact O-N 3.08Å; L2239-L2243 HydrophobicContact CG-CD1 4.19Å; L2239-L2243 WeakPolarHBondContact O-CB 3.35Å; L2239-L2243 VanDerWaalsContact O-CG 3.29Å; L2239-L2243 WeakPolarHBondContact O-CG 3.34Å; L2239-L2243 PolarHBondContact O-N 2.93Å |
| 2240 | K | 94.9 | Very high | 94 | Very high | 117.333 Ų | 117.333 | 103.4 Ų | 103.4 | 51% | 0.51 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 174.8 | -77.4 | 169.1 | -175.2 | 171.5 | 0 | 112.8 | E2236 R2237 K2238 A2244 | E2236-K2240 VanDerWaalsContact CD-CE 3.48Å; E2236-K2240 HydrophobicContact CG-CD 4.47Å; E2236-K2240 WeakPolarHBondContact O-CB 3.45Å; E2236-K2240 VanDerWaalsContact O-CD 3.31Å; E2236-K2240 WeakPolarHBondContact O-CD 3.36Å; E2236-K2240 VanDerWaalsContact O-CG 3.24Å; E2236-K2240 WeakPolarHBondContact O-CG 3.34Å; E2236-K2240 PolarHBondContact O-N 3.39Å; E2236-K2240 VanDerWaalsContact O-N 3.13Å; E2236-K2240 VanDerWaalsContact OE1-CE 3.28Å; E2236-K2240 WeakPolarHBondContact OE1-CE 3.39Å; E2236-K2240 IonicContact OE1-NZ 2.72Å; E2236-K2240 PolarHBondContact OE1-NZ 2.78Å; E2236-K2240 IonicContact OE2-NZ 2.62Å; E2236-K2240 PolarHBondContact OE2-NZ 3.03Å; R2237-K2240 PolarHBondContact O-N 2.93Å; R2237-K2240 VanDerWaalsContact O-N 3.08Å; K2238-K2240 PolarHBondContact O-N 3.05Å; K2240-A2244 PolarHBondContact O-N 2.88Å; K2240-A2244 VanDerWaalsContact O-N 3.13Å |
| 2241 | Q | 95.6 | Very high | 94 | Very high | 127.333 Ų | 127.333 | 105.7 Ų | 105.7 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68 | -43.2 | 175.1 | -172.4 | 174.1 | -2.1 | 0 | 0 | 111 | R2237 K2238 L2239 A2244 K2245 | R2237-Q2241 PolarHBondContact O-N 3.14Å; K2238-Q2241 WeakPolarHBondContact O-CB 3.38Å; K2238-Q2241 PolarHBondContact O-N 3.38Å; K2238-Q2241 VanDerWaalsContact O-N 3.13Å; L2239-Q2241 VanDerWaalsContact C-N 3.34Å; L2239-Q2241 PolarHBondContact O-N 2.79Å; Q2241-A2244 WeakPolarHBondContact O-CA 3.44Å; Q2241-A2244 WeakPolarHBondContact O-CB 3.49Å; Q2241-A2244 PolarHBondContact O-N 3.15Å; Q2241-A2244 VanDerWaalsContact O-N 3.1Å; Q2241-K2245 PolarHBondContact O-N 2.87Å |
| 2242 | E | 92.3 | Very high | 94.1 | Very high | 76.3333 Ų | 76.3333 | 109.2 Ų | 109.2 | 36% | 0.357 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 177.7 | -145.9 | 58.4 | -137.6 | 0 | 0 | 112.2 | K2238 L2239 A2244 K2245 H2246 | K2238-E2242 PolarHBondContact O-N 3.29Å; L2239-E2242 PolarHBondContact O-N 3.08Å; E2242-A2244 PolarHBondContact O-N 3.1Å; E2242-A2244 VanDerWaalsContact O-N 3.14Å; E2242-K2245 VanDerWaalsContact CD-CD 3.45Å; E2242-K2245 WeakPolarHBondContact O-CB 3.4Å; E2242-K2245 PolarHBondContact O-N 2.96Å; E2242-K2245 VanDerWaalsContact O-N 3.12Å; E2242-K2245 VanDerWaalsContact OE1-CD 3.3Å; E2242-K2245 WeakPolarHBondContact OE1-CD 3.26Å; E2242-K2245 WeakPolarHBondContact OE1-CE 3.3Å; E2242-K2245 IonicContact OE1-NZ 2.92Å; E2242-K2245 PolarHBondContact OE1-NZ 3.05Å; E2242-K2245 WeakPolarHBondContact OE2-CD 3.36Å; E2242-K2245 VanDerWaalsContact OE2-CE 3.26Å; E2242-K2245 WeakPolarHBondContact OE2-CE 3.26Å; E2242-K2245 IonicContact OE2-NZ 2.93Å; E2242-K2245 PolarHBondContact OE2-NZ 3.32Å; E2242-H2246 PolarHBondContact O-CD2 2.81Å; E2242-H2246 VanDerWaalsContact O-CD2 3.26Å; E2242-H2246 PolarHBondContact O-N 3.27Å |
| 2243 | L | 93.7 | Very high | 94.1 | Very high | 84 Ų | 84 | 109.9 Ų | 109.9 | 44% | 0.44 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -25.6 | 171.5 | -73.5 | 170.6 | 0 | 0 | 0 | 113 | L2239 R2247 | L2239-L2243 HydrophobicContact CG-CD1 4.19Å; L2239-L2243 WeakPolarHBondContact O-CB 3.35Å; L2239-L2243 VanDerWaalsContact O-CG 3.29Å; L2239-L2243 WeakPolarHBondContact O-CG 3.34Å; L2239-L2243 PolarHBondContact O-N 2.93Å; L2243-R2247 VanDerWaalsContact O-CD 3.3Å; L2243-R2247 WeakPolarHBondContact O-CD 3.38Å; L2243-R2247 VanDerWaalsContact O-CG 3.22Å; L2243-R2247 WeakPolarHBondContact O-CG 3.4Å; L2243-R2247 PolarHBondContact O-N 3.13Å |
| 2244 | A | 93.3 | Very high | 94.1 | Very high | 56.3333 Ų | 56.3333 | 107.3 Ų | 107.3 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76 | -41.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K2240 Q2241 E2242 R2247 A2248 | K2240-A2244 PolarHBondContact O-N 2.88Å; K2240-A2244 VanDerWaalsContact O-N 3.13Å; Q2241-A2244 WeakPolarHBondContact O-CA 3.44Å; Q2241-A2244 WeakPolarHBondContact O-CB 3.49Å; Q2241-A2244 PolarHBondContact O-N 3.15Å; Q2241-A2244 VanDerWaalsContact O-N 3.1Å; E2242-A2244 PolarHBondContact O-N 3.1Å; E2242-A2244 VanDerWaalsContact O-N 3.14Å; A2244-R2247 PolarHBondContact O-N 2.82Å; A2244-A2248 PolarHBondContact O-N 3.18Å |
| 2245 | K | 95 | Very high | 94 | Very high | 102.333 Ų | 102.333 | 109.3 Ų | 109.3 | 45% | 0.445 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 172.7 | -64.4 | -176.2 | -161.3 | 158.1 | 0 | 111.5 | Q2241 E2242 R2247 A2248 L2249 | Q2241-K2245 PolarHBondContact O-N 2.87Å; E2242-K2245 VanDerWaalsContact CD-CD 3.45Å; E2242-K2245 WeakPolarHBondContact O-CB 3.4Å; E2242-K2245 PolarHBondContact O-N 2.96Å; E2242-K2245 VanDerWaalsContact O-N 3.12Å; E2242-K2245 VanDerWaalsContact OE1-CD 3.3Å; E2242-K2245 WeakPolarHBondContact OE1-CD 3.26Å; E2242-K2245 WeakPolarHBondContact OE1-CE 3.3Å; E2242-K2245 IonicContact OE1-NZ 2.92Å; E2242-K2245 PolarHBondContact OE1-NZ 3.05Å; E2242-K2245 WeakPolarHBondContact OE2-CD 3.36Å; E2242-K2245 VanDerWaalsContact OE2-CE 3.26Å; E2242-K2245 WeakPolarHBondContact OE2-CE 3.26Å; E2242-K2245 IonicContact OE2-NZ 2.93Å; E2242-K2245 PolarHBondContact OE2-NZ 3.32Å; K2245-R2247 VanDerWaalsContact C-N 3.28Å; K2245-R2247 PolarHBondContact O-N 3.1Å; K2245-A2248 WeakPolarHBondContact O-CB 3.48Å; K2245-A2248 PolarHBondContact O-N 3.15Å; K2245-A2248 VanDerWaalsContact O-N 3.1Å; K2245-L2249 WeakPolarHBondContact O-CG 3.42Å; K2245-L2249 PolarHBondContact O-N 3.11Å |
| 2246 | H | 93.8 | Very high | 94 | Very high | 108 Ų | 108 | 106.9 Ų | 106.9 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -35.7 | 177.9 | -73.8 | -69.2 | 0 | 0 | 0 | 112.9 | E2242 T2250 | E2242-H2246 PolarHBondContact O-CD2 2.81Å; E2242-H2246 VanDerWaalsContact O-CD2 3.26Å; E2242-H2246 PolarHBondContact O-N 3.27Å; H2246-T2250 WeakPolarHBondContact O-CB 3.41Å; H2246-T2250 WeakPolarHBondContact O-CG2 3.31Å; H2246-T2250 PolarHBondContact O-N 2.99Å; H2246-T2250 PolarHBondContact O-OG1 2.81Å |
| 2247 | R | 93.5 | Very high | 94 | Very high | 178.667 Ų | 178.667 | 109.1 Ų | 109.1 | 67% | 0.674 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -42.8 | 172.8 | -74.4 | 170.3 | -173.7 | -172.5 | 3.5 | 112.3 | L2243 A2244 K2245 T2250 E2251 | L2243-R2247 VanDerWaalsContact O-CD 3.3Å; L2243-R2247 WeakPolarHBondContact O-CD 3.38Å; L2243-R2247 VanDerWaalsContact O-CG 3.22Å; L2243-R2247 WeakPolarHBondContact O-CG 3.4Å; L2243-R2247 PolarHBondContact O-N 3.13Å; A2244-R2247 PolarHBondContact O-N 2.82Å; K2245-R2247 VanDerWaalsContact C-N 3.28Å; K2245-R2247 PolarHBondContact O-N 3.1Å; R2247-T2250 WeakPolarHBondContact CA-OG1 3.3Å; R2247-T2250 PolarHBondContact O-N 3.14Å; R2247-T2250 PolarHBondContact O-OG1 3.17Å; R2247-T2250 VanDerWaalsContact O-OG1 3.1Å; R2247-E2251 WeakPolarHBondContact O-CB 3.38Å; R2247-E2251 PolarHBondContact O-N 3.32Å |
| 2248 | A | 93.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 108.8 Ų | 108.8 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2244 K2245 E2251 K2252 | A2244-A2248 PolarHBondContact O-N 3.18Å; K2245-A2248 WeakPolarHBondContact O-CB 3.48Å; K2245-A2248 PolarHBondContact O-N 3.15Å; K2245-A2248 VanDerWaalsContact O-N 3.1Å; A2248-E2251 PolarHBondContact O-N 2.91Å; A2248-K2252 WeakPolarHBondContact O-CG 3.37Å; A2248-K2252 PolarHBondContact O-N 3.25Å |
| 2249 | L | 95.4 | Very high | 93.5 | Very high | 95.3333 Ų | 95.3333 | 106.5 Ų | 106.5 | 50% | 0.499 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 174.9 | -69.2 | 173.9 | 0 | 0 | 0 | 112 | K2245 E2251 K2252 L2253 | K2245-L2249 WeakPolarHBondContact O-CG 3.42Å; K2245-L2249 PolarHBondContact O-N 3.11Å; L2249-E2251 VanDerWaalsContact C-N 3.32Å; L2249-E2251 PolarHBondContact O-N 3.05Å; L2249-K2252 WeakPolarHBondContact O-CB 3.34Å; L2249-K2252 PolarHBondContact O-N 3.09Å; L2249-K2252 VanDerWaalsContact O-N 3.1Å; L2249-L2253 WeakPolarHBondContact O-CG 3.42Å; L2249-L2253 PolarHBondContact O-N 3.07Å |
| 2250 | T | 92.8 | Very high | 93.2 | Very high | 77 Ų | 77 | 105 Ų | 105 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 175.1 | 17.6 | 0 | 0 | 0 | 0 | 112 | H2246 R2247 L2253 V2254 | H2246-T2250 WeakPolarHBondContact O-CB 3.41Å; H2246-T2250 WeakPolarHBondContact O-CG2 3.31Å; H2246-T2250 PolarHBondContact O-N 2.99Å; H2246-T2250 PolarHBondContact O-OG1 2.81Å; R2247-T2250 WeakPolarHBondContact CA-OG1 3.3Å; R2247-T2250 PolarHBondContact O-N 3.14Å; R2247-T2250 PolarHBondContact O-OG1 3.17Å; R2247-T2250 VanDerWaalsContact O-OG1 3.1Å; T2250-L2253 PolarHBondContact O-N 3.27Å; T2250-V2254 WeakPolarHBondContact O-CB 3.45Å; T2250-V2254 VanDerWaalsContact O-CG2 3.32Å; T2250-V2254 WeakPolarHBondContact O-CG2 3.3Å; T2250-V2254 PolarHBondContact O-N 3.17Å |
| 2251 | E | 93 | Very high | 92.8 | Very high | 109.667 Ų | 109.667 | 105.2 Ų | 105.2 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 172.3 | -138.9 | -168.8 | 161.2 | 0 | 0 | 112.5 | R2247 A2248 L2249 V2254 K2255 | R2247-E2251 WeakPolarHBondContact O-CB 3.38Å; R2247-E2251 PolarHBondContact O-N 3.32Å; A2248-E2251 PolarHBondContact O-N 2.91Å; L2249-E2251 VanDerWaalsContact C-N 3.32Å; L2249-E2251 PolarHBondContact O-N 3.05Å; E2251-V2254 PolarHBondContact O-N 3.38Å; E2251-K2255 WeakPolarHBondContact O-CB 3.44Å; E2251-K2255 WeakPolarHBondContact O-CD 3.41Å; E2251-K2255 WeakPolarHBondContact O-CG 3.43Å; E2251-K2255 PolarHBondContact O-N 3.05Å; E2251-K2255 WeakPolarHBondContact OE1-CE 3.37Å; E2251-K2255 IonicContact OE1-NZ 3.64Å; E2251-K2255 PolarHBondContact OE1-NZ 3.35Å; E2251-K2255 IonicContact OE2-NZ 2.69Å; E2251-K2255 PolarHBondContact OE2-NZ 3.27Å; E2251-K2255 VanDerWaalsContact OE2-NZ 3.15Å |
| 2252 | K | 94 | Very high | 92.3 | Very high | 140.333 Ų | 140.333 | 105.8 Ų | 105.8 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.8 | -48.4 | 172.2 | -76.3 | -177.7 | 177.3 | -173.4 | 0 | 111.1 | A2248 L2249 V2254 K2255 V2256 | A2248-K2252 WeakPolarHBondContact O-CG 3.37Å; A2248-K2252 PolarHBondContact O-N 3.25Å; L2249-K2252 WeakPolarHBondContact O-CB 3.34Å; L2249-K2252 PolarHBondContact O-N 3.09Å; L2249-K2252 VanDerWaalsContact O-N 3.1Å; K2252-V2254 VanDerWaalsContact C-N 3.35Å; K2252-V2254 PolarHBondContact O-N 3.2Å; K2252-K2255 WeakPolarHBondContact O-CA 3.3Å; K2252-K2255 WeakPolarHBondContact O-CB 3.25Å; K2252-K2255 PolarHBondContact O-N 3.19Å; K2252-K2255 VanDerWaalsContact O-N 3.15Å; K2252-V2256 WeakPolarHBondContact O-CG2 3.33Å; K2252-V2256 PolarHBondContact O-N 3.12Å |
| 2253 | L | 94.6 | Very high | 91.9 | Very high | 120.333 Ų | 120.333 | 106.3 Ų | 106.3 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -39.7 | 177.5 | -73 | 169 | 0 | 0 | 0 | 112.6 | L2249 T2250 K2255 V2256 K2257 | L2249-L2253 WeakPolarHBondContact O-CG 3.42Å; L2249-L2253 PolarHBondContact O-N 3.07Å; T2250-L2253 PolarHBondContact O-N 3.27Å; L2253-K2255 VanDerWaalsContact C-N 3.35Å; L2253-K2255 PolarHBondContact O-N 2.74Å; L2253-V2256 PolarHBondContact O-N 2.99Å; L2253-K2257 WeakPolarHBondContact O-CB 3.33Å; L2253-K2257 PolarHBondContact O-N 3.02Å |
| 2254 | V | 93.6 | Very high | 91.3 | Very high | 69.3333 Ų | 69.3333 | 107.9 Ų | 107.9 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | T2250 E2251 K2252 R2258 | T2250-V2254 WeakPolarHBondContact O-CB 3.45Å; T2250-V2254 VanDerWaalsContact O-CG2 3.32Å; T2250-V2254 WeakPolarHBondContact O-CG2 3.3Å; T2250-V2254 PolarHBondContact O-N 3.17Å; E2251-V2254 PolarHBondContact O-N 3.38Å; K2252-V2254 VanDerWaalsContact C-N 3.35Å; K2252-V2254 PolarHBondContact O-N 3.2Å; V2254-R2258 WeakPolarHBondContact O-CB 3.37Å; V2254-R2258 VanDerWaalsContact O-CG 3.3Å; V2254-R2258 WeakPolarHBondContact O-CG 3.27Å; V2254-R2258 PolarHBondContact O-N 3.02Å; V2254-R2258 VanDerWaalsContact O-N 3.14Å |
| 2255 | K | 93.8 | Very high | 90.5 | Very high | 127 Ų | 127 | 109.1 Ų | 109.1 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -45.3 | 173.1 | -73.2 | 168.3 | -174.3 | 166.7 | 0 | 111.4 | E2251 K2252 L2253 R2258 F2259 | E2251-K2255 WeakPolarHBondContact O-CB 3.44Å; E2251-K2255 WeakPolarHBondContact O-CD 3.41Å; E2251-K2255 WeakPolarHBondContact O-CG 3.43Å; E2251-K2255 PolarHBondContact O-N 3.05Å; E2251-K2255 WeakPolarHBondContact OE1-CE 3.37Å; E2251-K2255 IonicContact OE1-NZ 3.64Å; E2251-K2255 PolarHBondContact OE1-NZ 3.35Å; E2251-K2255 IonicContact OE2-NZ 2.69Å; E2251-K2255 PolarHBondContact OE2-NZ 3.27Å; E2251-K2255 VanDerWaalsContact OE2-NZ 3.15Å; K2252-K2255 WeakPolarHBondContact O-CA 3.3Å; K2252-K2255 WeakPolarHBondContact O-CB 3.25Å; K2252-K2255 PolarHBondContact O-N 3.19Å; K2252-K2255 VanDerWaalsContact O-N 3.15Å; L2253-K2255 VanDerWaalsContact C-N 3.35Å; L2253-K2255 PolarHBondContact O-N 2.74Å; K2255-R2258 PolarHBondContact O-N 2.82Å; K2255-F2259 WeakPolarHBondContact O-CB 3.41Å; K2255-F2259 PolarHBondContact O-N 3.16Å |
| 2256 | V | 92.5 | Very high | 89.3 | Confident | 78.6667 Ų | 78.6667 | 110.3 Ų | 110.3 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | K2252 L2253 R2258 F2259 N2260 | K2252-V2256 WeakPolarHBondContact O-CG2 3.33Å; K2252-V2256 PolarHBondContact O-N 3.12Å; L2253-V2256 PolarHBondContact O-N 2.99Å; V2256-R2258 VanDerWaalsContact C-N 3.31Å; V2256-R2258 PolarHBondContact O-N 2.98Å; V2256-F2259 CarbonylContact O-C 3.56Å; V2256-F2259 WeakPolarHBondContact O-CA 3.36Å; V2256-F2259 WeakPolarHBondContact O-CB 3.35Å; V2256-F2259 PolarHBondContact O-N 3.07Å; V2256-F2259 VanDerWaalsContact O-N 3.07Å; V2256-N2260 PolarHBondContact O-N 2.99Å; V2256-N2260 PolarHBondContact O-OD1 3.05Å |
| 2257 | K | 93.5 | Very high | 87.5 | Confident | 146.667 Ų | 146.667 | 107 Ų | 107 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.2 | -42.4 | 176.5 | -173 | 165.9 | -178 | 167.2 | 0 | 111.9 | L2253 F2259 N2260 E2261 | L2253-K2257 WeakPolarHBondContact O-CB 3.33Å; L2253-K2257 PolarHBondContact O-N 3.02Å; K2257-F2259 VanDerWaalsContact C-N 3.33Å; K2257-N2260 PolarHBondContact O-N 3.05Å; K2257-E2261 VanDerWaalsContact O-CB 3.29Å; K2257-E2261 WeakPolarHBondContact O-CB 3.3Å; K2257-E2261 PolarHBondContact O-N 3.03Å |
| 2258 | R | 90.2 | Very high | 85.7 | Confident | 167 Ų | 167 | 106.8 Ų | 106.8 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.5 | -30.1 | 173.8 | -74.1 | 177.1 | 178.6 | -166.9 | 0.7 | 113.7 | V2254 K2255 V2256 K2262 | V2254-R2258 WeakPolarHBondContact O-CB 3.37Å; V2254-R2258 VanDerWaalsContact O-CG 3.3Å; V2254-R2258 WeakPolarHBondContact O-CG 3.27Å; V2254-R2258 PolarHBondContact O-N 3.02Å; V2254-R2258 VanDerWaalsContact O-N 3.14Å; K2255-R2258 PolarHBondContact O-N 2.82Å; V2256-R2258 VanDerWaalsContact C-N 3.31Å; V2256-R2258 PolarHBondContact O-N 2.98Å; R2258-K2262 WeakPolarHBondContact O-CB 3.38Å; R2258-K2262 VanDerWaalsContact O-CG 3.29Å; R2258-K2262 WeakPolarHBondContact O-CG 3.33Å; R2258-K2262 PolarHBondContact O-N 3Å; R2258-K2262 VanDerWaalsContact O-N 3.1Å |
| 2259 | F | 89.6 | Confident | 83.5 | Confident | 92 Ų | 92 | 109.3 Ų | 109.3 | 40% | 0.404 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.5 | -45.5 | 174.6 | -177.4 | -106.6 | 0 | 0 | 0 | 110.8 | K2255 V2256 K2257 E2261 K2262 L2263 L2505 I2507 | K2255-F2259 WeakPolarHBondContact O-CB 3.41Å; K2255-F2259 PolarHBondContact O-N 3.16Å; V2256-F2259 CarbonylContact O-C 3.56Å; V2256-F2259 WeakPolarHBondContact O-CA 3.36Å; V2256-F2259 WeakPolarHBondContact O-CB 3.35Å; V2256-F2259 PolarHBondContact O-N 3.07Å; V2256-F2259 VanDerWaalsContact O-N 3.07Å; K2257-F2259 VanDerWaalsContact C-N 3.33Å; F2259-E2261 VanDerWaalsContact C-N 3.34Å; F2259-E2261 PolarHBondContact O-N 3.13Å; F2259-K2262 CarbonylContact O-C 3.53Å; F2259-K2262 WeakPolarHBondContact O-CA 3.35Å; F2259-K2262 WeakPolarHBondContact O-CB 3.3Å; F2259-K2262 PolarHBondContact O-N 3.17Å; F2259-K2262 VanDerWaalsContact O-N 3.12Å; F2259-L2263 HydrophobicContact CD1-CD1 3.99Å; F2259-L2263 HydrophobicContact CD1-CG 4.41Å; F2259-L2263 HydrophobicContact CE1-CD1 3.51Å; F2259-L2263 VanDerWaalsContact CE1-CD1 3.49Å; F2259-L2263 HydrophobicContact CE1-CD2 4.47Å; F2259-L2263 HydrophobicContact CE1-CG 4.09Å; F2259-L2263 HydrophobicContact CZ-CD1 4.01Å; F2259-L2263 HydrophobicContact CZ-CD2 4.28Å; F2259-L2263 HydrophobicContact CZ-CG 4.21Å; F2259-L2263 PolarHBondContact O-N 2.9Å; F2259-L2505 HydrophobicContact CE2-CD2 4.09Å; F2259-I2507 HydrophobicContact CE1-CD1 4.16Å; F2259-I2507 HydrophobicContact CE1-CG1 4.32Å; F2259-I2507 HydrophobicContact CE1-CG2 4.33Å; F2259-I2507 HydrophobicContact CE2-CG1 4.47Å; F2259-I2507 HydrophobicContact CZ-CD1 3.6Å; F2259-I2507 HydrophobicContact CZ-CG1 3.7Å |
| 2260 | N | 88 | Confident | 80.9 | Confident | 80.3333 Ų | 80.3333 | 108.6 Ų | 108.6 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 175.5 | -64.7 | 9.6 | 0 | 0 | 0 | 111.4 | V2256 K2257 K2262 L2263 L2264 | V2256-N2260 PolarHBondContact O-N 2.99Å; V2256-N2260 PolarHBondContact O-OD1 3.05Å; K2257-N2260 PolarHBondContact O-N 3.05Å; N2260-K2262 VanDerWaalsContact C-N 3.35Å; N2260-K2262 PolarHBondContact O-N 2.83Å; N2260-L2263 PolarHBondContact O-N 3.43Å; N2260-L2264 WeakPolarHBondContact O-CB 3.35Å; N2260-L2264 VanDerWaalsContact O-CG 3.27Å; N2260-L2264 WeakPolarHBondContact O-CG 3.39Å; N2260-L2264 PolarHBondContact O-N 2.81Å |
| 2261 | E | 86.4 | Confident | 78.4 | Confident | 121 Ų | 121 | 112.2 Ų | 112.2 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62 | -39.1 | 171.3 | -174.9 | 177.5 | -164.4 | 0 | 0 | 112.2 | K2257 F2259 T2265 | K2257-E2261 VanDerWaalsContact O-CB 3.29Å; K2257-E2261 WeakPolarHBondContact O-CB 3.3Å; K2257-E2261 PolarHBondContact O-N 3.03Å; F2259-E2261 VanDerWaalsContact C-N 3.34Å; F2259-E2261 PolarHBondContact O-N 3.13Å; E2261-T2265 WeakPolarHBondContact O-CB 3.49Å; E2261-T2265 PolarHBondContact O-N 3Å; E2261-T2265 PolarHBondContact O-OG1 2.9Å |
| 2262 | K | 86.4 | Confident | 75.6 | Confident | 139.667 Ų | 139.667 | 111.5 Ų | 111.5 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.4 | -43.6 | 171 | -80.8 | -178.8 | 173.1 | -166.4 | 0 | 112.7 | R2258 F2259 N2260 T2265 M2266 | R2258-K2262 WeakPolarHBondContact O-CB 3.38Å; R2258-K2262 VanDerWaalsContact O-CG 3.29Å; R2258-K2262 WeakPolarHBondContact O-CG 3.33Å; R2258-K2262 PolarHBondContact O-N 3Å; R2258-K2262 VanDerWaalsContact O-N 3.1Å; F2259-K2262 CarbonylContact O-C 3.53Å; F2259-K2262 WeakPolarHBondContact O-CA 3.35Å; F2259-K2262 WeakPolarHBondContact O-CB 3.3Å; F2259-K2262 PolarHBondContact O-N 3.17Å; F2259-K2262 VanDerWaalsContact O-N 3.12Å; N2260-K2262 VanDerWaalsContact C-N 3.35Å; N2260-K2262 PolarHBondContact O-N 2.83Å; K2262-T2265 WeakPolarHBondContact CA-OG1 3.34Å; K2262-T2265 WeakPolarHBondContact O-CB 3.25Å; K2262-T2265 PolarHBondContact O-N 3.03Å; K2262-T2265 PolarHBondContact O-OG1 3.27Å; K2262-T2265 VanDerWaalsContact O-OG1 3.08Å; K2262-M2266 WeakPolarHBondContact O-CB 3.27Å; K2262-M2266 WeakPolarHBondContact O-CG 3.42Å; K2262-M2266 PolarHBondContact O-N 2.99Å |
| 2263 | L | 83.9 | Confident | 72.8 | Confident | 86.6667 Ų | 86.6667 | 109.6 Ų | 109.6 | 45% | 0.454 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -42.4 | 176.1 | -70.5 | -179.9 | 0 | 0 | 0 | 111.6 | F2259 N2260 T2265 M2266 G2267 | F2259-L2263 HydrophobicContact CD1-CD1 3.99Å; F2259-L2263 HydrophobicContact CD1-CG 4.41Å; F2259-L2263 HydrophobicContact CE1-CD1 3.51Å; F2259-L2263 VanDerWaalsContact CE1-CD1 3.49Å; F2259-L2263 HydrophobicContact CE1-CD2 4.47Å; F2259-L2263 HydrophobicContact CE1-CG 4.09Å; F2259-L2263 HydrophobicContact CZ-CD1 4.01Å; F2259-L2263 HydrophobicContact CZ-CD2 4.28Å; F2259-L2263 HydrophobicContact CZ-CG 4.21Å; F2259-L2263 PolarHBondContact O-N 2.9Å; N2260-L2263 PolarHBondContact O-N 3.43Å; L2263-T2265 VanDerWaalsContact C-N 3.28Å; L2263-T2265 PolarHBondContact O-N 3.08Å; L2263-M2266 PolarHBondContact O-N 2.86Å; L2263-G2267 PolarHBondContact O-N 3.24Å |
| 2264 | L | 80.3 | Confident | 70 | Confident | 117.667 Ų | 117.667 | 108.6 Ų | 108.6 | 62% | 0.616 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.1 | -26.9 | 175.6 | -72.8 | 169.4 | 0 | 0 | 0 | 113.1 | N2260 K2268 | N2260-L2264 WeakPolarHBondContact O-CB 3.35Å; N2260-L2264 VanDerWaalsContact O-CG 3.27Å; N2260-L2264 WeakPolarHBondContact O-CG 3.39Å; N2260-L2264 PolarHBondContact O-N 2.81Å; L2264-K2268 WeakPolarHBondContact O-CB 3.4Å; L2264-K2268 WeakPolarHBondContact O-CD 3.4Å; L2264-K2268 VanDerWaalsContact O-CG 3.27Å; L2264-K2268 WeakPolarHBondContact O-CG 3.33Å; L2264-K2268 PolarHBondContact O-N 3.44Å |
| 2265 | T | 76.7 | Confident | 67.4 | Low | 81 Ų | 81 | 112.1 Ų | 112.1 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -80.7 | -41.7 | 172.3 | 14 | 0 | 0 | 0 | 0 | 111.5 | E2261 K2262 L2263 K2268 V2269 | E2261-T2265 WeakPolarHBondContact O-CB 3.49Å; E2261-T2265 PolarHBondContact O-N 3Å; E2261-T2265 PolarHBondContact O-OG1 2.9Å; K2262-T2265 WeakPolarHBondContact CA-OG1 3.34Å; K2262-T2265 WeakPolarHBondContact O-CB 3.25Å; K2262-T2265 PolarHBondContact O-N 3.03Å; K2262-T2265 PolarHBondContact O-OG1 3.27Å; K2262-T2265 VanDerWaalsContact O-OG1 3.08Å; L2263-T2265 VanDerWaalsContact C-N 3.28Å; L2263-T2265 PolarHBondContact O-N 3.08Å; T2265-K2268 CarbonylContact O-C 3.6Å; T2265-K2268 PolarHBondContact O-N 2.91Å; T2265-K2268 VanDerWaalsContact O-N 3.12Å; T2265-V2269 WeakPolarHBondContact O-CB 3.48Å; T2265-V2269 WeakPolarHBondContact O-CG2 3.44Å; T2265-V2269 PolarHBondContact O-N 2.98Å; T2265-V2269 VanDerWaalsContact O-N 3.11Å |
| 2266 | M | 70.1 | Confident | 64.7 | Low | 127 Ų | 127 | 113 Ų | 113 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63 | -43.4 | 174.1 | -74.8 | 175.8 | 61.9 | 0 | 0 | 112.2 | K2262 L2263 K2268 V2269 S2270 | K2262-M2266 WeakPolarHBondContact O-CB 3.27Å; K2262-M2266 WeakPolarHBondContact O-CG 3.42Å; K2262-M2266 PolarHBondContact O-N 2.99Å; L2263-M2266 PolarHBondContact O-N 2.86Å; M2266-K2268 VanDerWaalsContact C-N 3.28Å; M2266-K2268 PolarHBondContact O-N 3.36Å; M2266-V2269 CarbonylContact O-C 3.14Å; M2266-V2269 WeakPolarHBondContact O-CA 3.45Å; M2266-V2269 WeakPolarHBondContact O-CB 3.09Å; M2266-V2269 PolarHBondContact O-N 3.15Å; M2266-S2270 PolarHBondContact O-N 2.92Å |
| 2267 | G | 56.8 | Low | 62 | Low | 40.6667 Ų | 40.6667 | 115.3 Ų | 115.3 | 42% | 0.419 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -23.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2263 V2269 L2271 | L2263-G2267 PolarHBondContact O-N 3.24Å; G2267-V2269 VanDerWaalsContact C-N 3.28Å; G2267-V2269 PolarHBondContact O-N 2.86Å; G2267-L2271 WeakPolarHBondContact O-CB 3.27Å; G2267-L2271 WeakPolarHBondContact O-CG 3.28Å; G2267-L2271 PolarHBondContact O-N 2.94Å |
| 2268 | K | 54 | Low | 59.3 | Low | 173 Ų | 173 | 115.6 Ų | 115.6 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -9.8 | 171.2 | -71.7 | 176.4 | -177.5 | -176 | 0 | 113.6 | L2264 T2265 M2266 S2270 | L2264-K2268 WeakPolarHBondContact O-CB 3.4Å; L2264-K2268 WeakPolarHBondContact O-CD 3.4Å; L2264-K2268 VanDerWaalsContact O-CG 3.27Å; L2264-K2268 WeakPolarHBondContact O-CG 3.33Å; L2264-K2268 PolarHBondContact O-N 3.44Å; T2265-K2268 CarbonylContact O-C 3.6Å; T2265-K2268 PolarHBondContact O-N 2.91Å; T2265-K2268 VanDerWaalsContact O-N 3.12Å; M2266-K2268 VanDerWaalsContact C-N 3.28Å; M2266-K2268 PolarHBondContact O-N 3.36Å; K2268-S2270 PolarHBondContact O-N 2.83Å |
| 2269 | V | 47.5 | Very low | 56.7 | Low | 105.333 Ų | 105.333 | 113.8 Ų | 113.8 | 64% | 0.638 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -95 | 67.2 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | T2265 M2266 G2267 | T2265-V2269 WeakPolarHBondContact O-CB 3.48Å; T2265-V2269 WeakPolarHBondContact O-CG2 3.44Å; T2265-V2269 PolarHBondContact O-N 2.98Å; T2265-V2269 VanDerWaalsContact O-N 3.11Å; M2266-V2269 CarbonylContact O-C 3.14Å; M2266-V2269 WeakPolarHBondContact O-CA 3.45Å; M2266-V2269 WeakPolarHBondContact O-CB 3.09Å; M2266-V2269 PolarHBondContact O-N 3.15Å; G2267-V2269 VanDerWaalsContact C-N 3.28Å; G2267-V2269 PolarHBondContact O-N 2.86Å |
| 2270 | S | 40.9 | Very low | 54.4 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | 84 | 29.5 | 169.3 | -57.3 | 0 | 0 | 0 | 0 | 117.3 | M2266 K2268 S2272 N2273 | M2266-S2270 PolarHBondContact O-N 2.92Å; K2268-S2270 PolarHBondContact O-N 2.83Å; S2270-S2272 VanDerWaalsContact C-N 3.28Å; S2270-S2272 PolarHBondContact O-N 2.72Å; S2270-N2273 PolarHBondContact O-ND2 3.28Å |
| 2271 | L | 39.7 | Very low | 51.9 | Low | 152.667 Ų | 152.667 | 119.6 Ų | 119.6 | 80% | 0.799 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 6 | 153.4 | -69.5 | 179.5 | 0 | 0 | 0 | 113.3 | G2267 N2273 | G2267-L2271 WeakPolarHBondContact O-CB 3.27Å; G2267-L2271 WeakPolarHBondContact O-CG 3.28Å; G2267-L2271 PolarHBondContact O-N 2.94Å; L2271-N2273 PolarHBondContact O-N 3.03Å |
| 2272 | S | 35.4 | Very low | 49.6 | Very low | 93.6667 Ų | 93.6667 | 123.5 Ų | 123.5 | 66% | 0.655 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 48.3 | 171.5 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | S2270 | S2270-S2272 VanDerWaalsContact C-N 3.28Å; S2270-S2272 PolarHBondContact O-N 2.72Å |
| 2273 | N | 34.9 | Very low | 47.1 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 54% | 0.54 | 68% | 0.68 | S | S | . | * | trans | -89.7 | 86.8 | 172.1 | -91.1 | -22.7 | 0 | 0 | 0 | 113.7 | S2270 L2271 I2275 L2276 N2277 | S2270-N2273 PolarHBondContact O-ND2 3.28Å; L2271-N2273 PolarHBondContact O-N 3.03Å; N2273-I2275 VanDerWaalsContact C-N 3.28Å; N2273-I2275 HydrophobicContact CB-CD1 4.15Å; N2273-I2275 HydrophobicContact CB-CG1 4.26Å; N2273-I2275 PolarHBondContact O-N 3.16Å; N2273-L2276 HydrophobicContact CB-CB 4.16Å; N2273-N2277 PolarHBondContact O-ND2 3.33Å | ||
| 2274 | P | 35.5 | Very low | 44.9 | Very low | 99.3333 Ų | 99.3333 | 128.6 Ų | 128.6 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -74 | 39.5 | 175.2 | 16.6 | -14.6 | 0 | 0 | 0 | 112.4 | L2276 | P2274-L2276 PolarHBondContact O-N 2.98Š|
| 2275 | I | 39.1 | Very low | 42.7 | Very low | 142.667 Ų | 142.667 | 130.2 Ų | 130.2 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -4.6 | -178.3 | -58.1 | 178.8 | 0 | 0 | 0 | 111.1 | N2273 N2277 L2278 | N2273-I2275 VanDerWaalsContact C-N 3.28Å; N2273-I2275 HydrophobicContact CB-CD1 4.15Å; N2273-I2275 HydrophobicContact CB-CG1 4.26Å; N2273-I2275 PolarHBondContact O-N 3.16Å; I2275-N2277 VanDerWaalsContact C-N 3.28Å; I2275-N2277 PolarHBondContact O-N 3.2Å; I2275-L2278 PolarHBondContact O-N 2.93Å |
| 2276 | L | 38 | Very low | 40.8 | Very low | 145.333 Ų | 145.333 | 133 Ų | 133 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 29.4 | 172.8 | -76.3 | 173.2 | 0 | 0 | 0 | 112.4 | N2273 P2274 | N2273-L2276 HydrophobicContact CB-CB 4.16Å; P2274-L2276 PolarHBondContact O-N 2.98Å |
| 2277 | N | 34.3 | Very low | 39.1 | Very low | 127.667 Ų | 127.667 | 132.7 Ų | 132.7 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | 25.4 | 172.6 | -86.6 | -42 | 0 | 0 | 0 | 113 | N2273 I2275 T2279 | N2273-N2277 PolarHBondContact O-ND2 3.33Å; I2275-N2277 VanDerWaalsContact C-N 3.28Å; I2275-N2277 PolarHBondContact O-N 3.2Å; N2277-T2279 VanDerWaalsContact C-N 3.3Å; N2277-T2279 PolarHBondContact O-N 2.88Å |
| 2278 | L | 36.7 | Very low | 38 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -106.1 | 8.1 | 175.9 | -131.9 | 76 | 0 | 0 | 0 | 115.5 | I2275 K2280 | I2275-L2278 PolarHBondContact O-N 2.93Å; L2278-K2280 PolarHBondContact O-N 3.24Å; L2278-K2280 VanDerWaalsContact O-N 3.11Å |
| 2279 | T | 37.1 | Very low | 37 | Very low | 129.333 Ų | 129.333 | 135.2 Ų | 135.2 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -98.4 | 28.5 | 178.1 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | N2277 | N2277-T2279 VanDerWaalsContact C-N 3.3Å; N2277-T2279 PolarHBondContact O-N 2.88Å |
| 2280 | K | 40.9 | Very low | 36.4 | Very low | 188.667 Ų | 188.667 | 134.3 Ų | 134.3 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -128.4 | 62.8 | 178.6 | -69.4 | -167.4 | 175.5 | -174.1 | 0 | 113.7 | L2278 | L2278-K2280 PolarHBondContact O-N 3.24Å; L2278-K2280 VanDerWaalsContact O-N 3.11Å |
| 2281 | S | 35 | Very low | 36.2 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -150.7 | 72 | 164.5 | 50.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2282 | K | 38 | Very low | 36 | Very low | 202.667 Ų | 202.667 | 135.8 Ų | 135.8 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | trans | -135.7 | 60.9 | 166.4 | -157.3 | -176 | 179 | -175.4 | 0 | 112.7 | ||||
| 2283 | E | 34.5 | Very low | 36 | Very low | 182.667 Ų | 182.667 | 140.3 Ų | 140.3 | 85% | 0.854 | 76% | 0.755 | S | S | * | * | trans | -115.6 | 129.6 | 170.2 | -110.5 | 154.4 | -178 | 0 | 0 | 109.9 | ||||
| 2284 | N | 37.3 | Very low | 36 | Very low | 150.333 Ų | 150.333 | 143 Ų | 143 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -141.6 | 132.7 | 168.2 | -96.8 | -38.8 | 0 | 0 | 0 | 110.7 | V2286 | N2284-V2286 PolarHBondContact O-N 2.85Š| ||
| 2285 | N | 33.3 | Very low | 36.1 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -32.2 | 128.3 | 175.8 | -56.5 | -50.2 | 0 | 0 | 0 | 115.5 | ||||
| 2286 | V | 37 | Very low | 36.2 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -136.8 | 120.6 | 133.1 | 166.1 | 0 | 0 | 0 | 0 | 108.7 | N2284 | N2284-V2286 PolarHBondContact O-N 2.85Š| ||
| 2287 | V | 34.4 | Very low | 36.2 | Very low | 122.333 Ų | 122.333 | 144.1 Ų | 144.1 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -49.9 | 134.1 | 167.8 | 176.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2288 | C | 33.9 | Very low | 36.3 | Very low | 114.333 Ų | 114.333 | 144 Ų | 144 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -123.1 | 137.1 | 157.2 | -77.3 | 0 | 0 | 0 | 0 | 111.6 | A2290 | C2288-A2290 PolarHBondContact O-N 3.19Š| ||
| 2289 | D | 34.4 | Very low | 36.2 | Very low | 151.333 Ų | 151.333 | 140.8 Ų | 140.8 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | trans | -85.9 | 141.5 | 151.3 | -75.1 | -69.4 | 0 | 0 | 0 | 110.3 | ||||
| 2290 | A | 35 | Very low | 36.1 | Very low | 85.6667 Ų | 85.6667 | 142.8 Ų | 142.8 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | 161.5 | 119.2 | 107.1 | 0 | 0 | 0 | 0 | 0 | 112 | C2288 | C2288-A2290 PolarHBondContact O-N 3.19Š| |||
| 2291 | T | 36.3 | Very low | 35.8 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | 25.8 | 145.2 | 173 | 58.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 2292 | E | 34.1 | Very low | 35.9 | Very low | 142.667 Ų | 142.667 | 141.8 Ų | 141.8 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | trans | 115.3 | 130 | 153.4 | -80.2 | -170.7 | -162.2 | 0 | 0 | 114.5 | ||||
| 2293 | R | 35.8 | Very low | 35.7 | Very low | 187.333 Ų | 187.333 | 141.6 Ų | 141.6 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | trans | 77.2 | 134.4 | 139.8 | -69.9 | -175.2 | -127.9 | 135.4 | 7 | 116.2 | ||||
| 2294 | E | 35.8 | Very low | 35.8 | Very low | 158.333 Ų | 158.333 | 139.4 Ų | 139.4 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | cis | -177.2 | 156.6 | 9.6 | -106.5 | 158.3 | 167.3 | 0 | 0 | 110.2 | ||||
| 2295 | D | 38 | Very low | 35.8 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -94.2 | 152.9 | 141.3 | -70.3 | -43.6 | 0 | 0 | 0 | 114.3 | ||||
| 2296 | D | 40.2 | Very low | 35.9 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | -138 | 170.7 | 90 | -126.7 | -28.9 | 0 | 0 | 0 | 111.9 | |||||
| 2297 | N | 38.5 | Very low | 35.9 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | 174.6 | 151.2 | 154.5 | -79.1 | -70.1 | 0 | 0 | 0 | 118 | ||||
| 2298 | T | 36.3 | Very low | 36.1 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | 92.6 | 135.5 | 141.7 | -13.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2299 | A | 33.9 | Very low | 36.3 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 65.4 | 131.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2300 | E | 36 | Very low | 36.6 | Very low | 172.333 Ų | 172.333 | 139.9 Ų | 139.9 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | 72.8 | 133.2 | 102.8 | -73.1 | -173.8 | 160 | 0 | 0 | 118.6 | |||||
| 2301 | N | 34.2 | Very low | 36.9 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | -177.3 | 121.1 | 137.5 | -122.3 | -33.7 | 0 | 0 | 0 | 115.3 | ||||
| 2302 | I | 36.2 | Very low | 36.8 | Very low | 135.667 Ų | 135.667 | 143.3 Ų | 143.3 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | trans | -152.3 | 140.1 | 164.8 | -52.2 | 168.4 | 0 | 0 | 0 | 111 | ||||
| 2303 | Y | 35.7 | Very low | 36.9 | Very low | 198.333 Ų | 198.333 | 141.1 Ų | 141.1 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | trans | 173.2 | 115.8 | 179 | -108.3 | -85.1 | 0 | 0 | 0 | 111.8 | K2305 | Y2303-K2305 HydrophobicContact CD1-CB 4.38Å; Y2303-K2305 PolarHBondContact O-N 3.03Å | ||
| 2304 | N | 36.1 | Very low | 36.9 | Very low | 136.667 Ų | 136.667 | 141.2 Ų | 141.2 | 73% | 0.731 | 74% | 0.737 | S | S | * | * | trans | -31.3 | 129 | 152.8 | -79.8 | -5.1 | 0 | 0 | 0 | 113.8 | ||||
| 2305 | K | 37.2 | Very low | 36.8 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -155.9 | 118.7 | 132.7 | -125.7 | -179 | 172.8 | -145.1 | 0 | 112.1 | Y2303 E2550 | Y2303-K2305 HydrophobicContact CD1-CB 4.38Å; Y2303-K2305 PolarHBondContact O-N 3.03Å; K2305-E2550 IonicContact NZ-OE1 2.79Å; K2305-E2550 PolarHBondContact NZ-OE1 3.15Å | ||
| 2306 | D | 35.8 | Very low | 36.6 | Very low | 127.667 Ų | 127.667 | 139.9 Ų | 139.9 | 68% | 0.683 | 74% | 0.738 | S | S | * | * | trans | 15.9 | 136.6 | 150.6 | -50.3 | -43.9 | 0 | 0 | 0 | 116.4 | ||||
| 2307 | S | 36.3 | Very low | 36.1 | Very low | 106.667 Ų | 106.667 | 138.9 Ų | 138.9 | 75% | 0.746 | 74% | 0.741 | S | S | * | * | 164.2 | 135.8 | 112.3 | 158.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2308 | I | 38.5 | Very low | 35.8 | Very low | 143.667 Ų | 143.667 | 137.4 Ų | 137.4 | 74% | 0.737 | 74% | 0.741 | S | S | * | * | trans | -152.3 | 144.5 | 131.2 | -87.3 | 167.9 | 0 | 0 | 0 | 112.8 | ||||
| 2309 | D | 38.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | 162.2 | 143.2 | 133.7 | -85.7 | -16.9 | 0 | 0 | 0 | 110.9 | ||||
| 2310 | E | 40.4 | Very low | 35.9 | Very low | 152.333 Ų | 152.333 | 143.2 Ų | 143.2 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | cis | 172.7 | 175.9 | 16.8 | -153 | -153.2 | 152.7 | 0 | 0 | 110.2 | H2312 | E2310-H2312 IonicContact OE1-CD2 2.74Å; E2310-H2312 PolarHBondContact OE1-CD2 2.97Å; E2310-H2312 VanDerWaalsContact OE1-CD2 3.27Å; E2310-H2312 IonicContact OE1-CG 3.06Å | ||
| 2311 | V | 40.7 | Very low | 35.8 | Very low | 110.667 Ų | 110.667 | 141.5 Ų | 141.5 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 71.3 | 91.2 | 160.5 | -173.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2312 | H | 35.8 | Very low | 36 | Very low | 168.333 Ų | 168.333 | 142.5 Ų | 142.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | 63.8 | 134.3 | 84.7 | -73.8 | -67 | 0 | 0 | 0 | 119.1 | E2310 | E2310-H2312 IonicContact OE1-CD2 2.74Å; E2310-H2312 PolarHBondContact OE1-CD2 2.97Å; E2310-H2312 VanDerWaalsContact OE1-CD2 3.27Å; E2310-H2312 IonicContact OE1-CG 3.06Å | |||
| 2313 | S | 34.7 | Very low | 36 | Very low | 97.6667 Ų | 97.6667 | 144.2 Ų | 144.2 | 68% | 0.683 | 76% | 0.756 | S | S | * | * | trans | -168.9 | 138.2 | 159.6 | -60.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2314 | K | 36.1 | Very low | 36.2 | Very low | 189.333 Ų | 189.333 | 141.3 Ų | 141.3 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | 98.6 | 134 | 106.1 | -76.3 | 175.8 | 179 | 177.7 | 0 | 117.5 | |||||
| 2315 | I | 34.4 | Very low | 36.2 | Very low | 155.667 Ų | 155.667 | 141.4 Ų | 141.4 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | 84.2 | 120.9 | 150.6 | -53.6 | 175.9 | 0 | 0 | 0 | 113.6 | ||||
| 2316 | T | 33.1 | Very low | 36.2 | Very low | 123.667 Ų | 123.667 | 140.8 Ų | 140.8 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 173.6 | 149.4 | 112.2 | 11.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2317 | S | 29.6 | Very low | 36.3 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 119.4 | 140.9 | 163.4 | -50.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2318 | S | 31.9 | Very low | 36.2 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | 94.1 | 131.5 | 151.4 | 53.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2319 | E | 34.9 | Very low | 36.1 | Very low | 173.333 Ų | 173.333 | 141.1 Ų | 141.1 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | 58.3 | 126.2 | 136.2 | -58.5 | 178.5 | 128.4 | 0 | 0 | 119.6 | ||||
| 2320 | L | 38.4 | Very low | 35.9 | Very low | 160.667 Ų | 160.667 | 140.9 Ų | 140.9 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | -149.4 | 156.2 | 97.4 | -101.4 | 172.4 | 0 | 0 | 0 | 110.6 | |||||
| 2321 | N | 34.6 | Very low | 35.8 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -94.3 | 179.5 | 174.4 | -59.4 | -74.7 | 0 | 0 | 0 | 111.3 | ||||
| 2322 | D | 38.1 | Very low | 35.6 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | 132.2 | 135 | 150.3 | -72.3 | -17.6 | 0 | 0 | 0 | 111.6 | ||||
| 2323 | E | 34.9 | Very low | 35.7 | Very low | 170.667 Ų | 170.667 | 142.8 Ų | 142.8 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | cis | -143.2 | 132.2 | 42.3 | -155.4 | 177.1 | 168.4 | 0 | 0 | 111.5 | ||||
| 2324 | V | 39.6 | Very low | 36 | Very low | 136.333 Ų | 136.333 | 146.7 Ų | 146.7 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -159.2 | 123.1 | 132.5 | 171.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2325 | I | 36.6 | Very low | 36.3 | Very low | 140.333 Ų | 140.333 | 144.1 Ų | 144.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -151.4 | 148.5 | 155.8 | -69.4 | 167.2 | 0 | 0 | 0 | 111.5 | ||||
| 2326 | L | 36.9 | Very low | 36.5 | Very low | 155.333 Ų | 155.333 | 148.3 Ų | 148.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -87.3 | 158.1 | 170.2 | -60.6 | 169.6 | 0 | 0 | 0 | 114.5 | N2328 | L2326-N2328 HydrophobicContact CB-CB 4.37Š| ||
| 2327 | P | 39.2 | Very low | 36.8 | Very low | 115.667 Ų | 115.667 | 151.3 Ų | 151.3 | 75% | 0.751 | 77% | 0.771 | S | S | * | * | -137.1 | 154.4 | 77.2 | 36.9 | -23.7 | 0 | 0 | 0 | 114.5 | |||||
| 2328 | N | 33.2 | Very low | 37 | Very low | 137.667 Ų | 137.667 | 151.2 Ų | 151.2 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | 32.3 | 137.5 | 127.1 | -99.8 | 7.2 | 0 | 0 | 0 | 115.2 | L2326 | L2326-N2328 HydrophobicContact CB-CB 4.37Š| |||
| 2329 | E | 36.7 | Very low | 37.2 | Very low | 130.667 Ų | 130.667 | 154.7 Ų | 154.7 | 61% | 0.611 | 78% | 0.775 | S | S | * | * | -170.9 | 146.8 | 80.8 | -100.9 | -151.2 | 132.7 | 0 | 0 | 113.6 | V1477 | V1477-E2329 VanDerWaalsContact CG2-CD 3.44Å; V1477-E2329 HydrophobicContact CG2-CG 3.69Å | |||
| 2330 | Q | 35.2 | Very low | 37 | Very low | 136.333 Ų | 136.333 | 154.3 Ų | 154.3 | 64% | 0.637 | 77% | 0.773 | S | S | * | * | trans | 31.3 | 117.1 | 150.2 | -49 | -167.7 | 20 | 0 | 0 | 120.5 | N1476 | N1476-Q2330 VanDerWaalsContact N-NE2 3.16Å; N1476-Q2330 PolarHBondContact O-NE2 3.29Å; N1476-Q2330 VanDerWaalsContact O-NE2 3.07Å | ||
| 2331 | N | 36.9 | Very low | 36.9 | Very low | 150 Ų | 150 | 157.2 Ų | 157.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | 179.8 | 146.8 | 86.3 | -153 | 1.9 | 0 | 0 | 0 | 113 | |||||
| 2332 | K | 37.3 | Very low | 36.8 | Very low | 171.667 Ų | 171.667 | 158.3 Ų | 158.3 | 75% | 0.746 | 78% | 0.778 | S | S | * | * | trans | -130.8 | 160.1 | 172.8 | -72.7 | 175.1 | -176.1 | 172.8 | 0 | 115.9 | ||||
| 2333 | D | 37.6 | Very low | 36.8 | Very low | 150.333 Ų | 150.333 | 158.2 Ų | 158.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 78 | 155.1 | -57.8 | -33.5 | 0 | 0 | 0 | 118.5 | ||||
| 2334 | E | 40.6 | Very low | 36.9 | Very low | 179.333 Ų | 179.333 | 156.7 Ų | 156.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -145.7 | 145.3 | 135.2 | -114 | -174.6 | 178.1 | 0 | 0 | 114.2 | ||||
| 2335 | I | 42.2 | Very low | 36.6 | Very low | 134.667 Ų | 134.667 | 158.2 Ų | 158.2 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 60.9 | 76.5 | 158.3 | -47.2 | 170.9 | 0 | 0 | 0 | 117.2 | K2337 | I2335-K2337 HydrophobicContact CG2-CB 4.33Å; I2335-K2337 PolarHBondContact O-N 3.24Å | ||
| 2336 | R | 38.6 | Very low | 36.6 | Very low | 243.667 Ų | 243.667 | 160.7 Ų | 160.7 | 92% | 0.919 | 77% | 0.768 | S | S | * | * | trans | -61.9 | 132.5 | 143 | -83 | 173.4 | 162.4 | 159 | -6.9 | 109.8 | ||||
| 2337 | K | 40 | Very low | 36.6 | Very low | 186.667 Ų | 186.667 | 160.1 Ų | 160.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | 108.4 | 93 | 165.9 | -72.2 | 170.8 | -179.9 | 179.8 | 0 | 117.2 | I2335 | I2335-K2337 HydrophobicContact CG2-CB 4.33Å; I2335-K2337 PolarHBondContact O-N 3.24Å | ||
| 2338 | S | 34.2 | Very low | 36.3 | Very low | 107.333 Ų | 107.333 | 162.3 Ų | 162.3 | 75% | 0.751 | 78% | 0.776 | S | S | * | * | trans | 174.6 | 107.2 | 159.3 | 36.5 | 0 | 0 | 0 | 0 | 114.5 | H2340 | S2338-H2340 PolarHBondContact O-N 3.36Š| ||
| 2339 | H | 34.9 | Very low | 36.2 | Very low | 173 Ų | 173 | 160.9 Ų | 160.9 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -44.1 | 101.5 | -179 | -71.4 | -95.8 | 0 | 0 | 0 | 116 | ||||
| 2340 | H | 32.1 | Very low | 36.2 | Very low | 165.333 Ų | 165.333 | 166.2 Ų | 166.2 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -80.6 | 111 | 135.1 | -82.3 | -35.1 | 0 | 0 | 0 | 113.4 | S2338 | S2338-H2340 PolarHBondContact O-N 3.36Š| ||
| 2341 | R | 36.5 | Very low | 35.9 | Very low | 221.333 Ų | 221.333 | 164.4 Ų | 164.4 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | S | Bend | 165.3 | 114.8 | 115.7 | -99.7 | 175.2 | -178.1 | 179.7 | -2 | 111.9 | H2343 | R2341-H2343 PolarHBondContact NE-NE2 2.8Å; R2341-H2343 VanDerWaalsContact NE-NE2 3.13Å | |
| 2342 | L | 31.7 | Very low | 35.8 | Very low | 159.333 Ų | 159.333 | 161.8 Ų | 161.8 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 115.1 | 160.8 | -82.8 | 120.2 | 0 | 0 | 0 | 112.5 | ||||
| 2343 | H | 38 | Very low | 35.6 | Very low | 157 Ų | 157 | 157 Ų | 157 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 177.1 | 119.8 | 137.7 | -103.5 | -87.1 | 0 | 0 | 0 | 110.5 | R2341 | R2341-H2343 PolarHBondContact NE-NE2 2.8Å; R2341-H2343 VanDerWaalsContact NE-NE2 3.13Å | ||
| 2344 | H | 36.3 | Very low | 35.6 | Very low | 138.667 Ų | 138.667 | 157.6 Ų | 157.6 | 64% | 0.642 | 77% | 0.773 | S | S | * | * | -109.3 | 135.3 | 127.9 | -68 | -70.3 | 0 | 0 | 0 | 113.9 | |||||
| 2345 | H | 33.6 | Very low | 35.4 | Very low | 167.667 Ų | 167.667 | 157.4 Ų | 157.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | -71.4 | 146.3 | 119.6 | -65.9 | -85.7 | 0 | 0 | 0 | 114.5 | |||||
| 2346 | K | 35.9 | Very low | 35.2 | Very low | 193 Ų | 193 | 158.8 Ų | 158.8 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | 34.4 | 122.3 | 134.9 | -65.5 | 179.3 | 176.3 | -180 | 0 | 114.6 | ||||
| 2347 | T | 37 | Very low | 35.2 | Very low | 142.333 Ų | 142.333 | 152.4 Ų | 152.4 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | 171.1 | 150.4 | 132.2 | 24.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2348 | L | 34.2 | Very low | 34.9 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -113.6 | 155.9 | 162.7 | -75.4 | 159.5 | 0 | 0 | 0 | 112.5 | ||||
| 2349 | S | 31 | Very low | 34.8 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 23.2 | 114.6 | 151.7 | -53.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2350 | R | 36.4 | Very low | 34.7 | Very low | 241.333 Ų | 241.333 | 153.4 Ų | 153.4 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -169 | 119 | 135.3 | -110.5 | 163.3 | 156 | 165.4 | -6 | 113.1 | ||||
| 2351 | S | 29.5 | Very low | 35 | Very low | 99.3333 Ų | 99.3333 | 150 Ų | 150 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -7.6 | 134 | 132.9 | 60.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2352 | S | 35 | Very low | 34.9 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | 158 | 106.7 | 135.4 | -164.2 | 0 | 0 | 0 | 0 | 115.8 | N1419 | N1419-S2352 PolarHBondContact ND2-O 3.34Š| ||
| 2353 | S | 31.9 | Very low | 35 | Very low | 72.3333 Ų | 72.3333 | 146.5 Ų | 146.5 | 51% | 0.506 | 75% | 0.754 | S | S | . | * | trans | 29.7 | 116.5 | 133 | -11.2 | 0 | 0 | 0 | 0 | 120 | A1417 T1418 | A1417-S2353 WeakPolarHBondContact O-CA 3.17Å; A1417-S2353 WeakPolarHBondContact O-CB 3.33Å; A1417-S2353 PolarHBondContact O-OG 2.77Å; T1418-S2353 PolarHBondContact O-N 2.95Å; T1418-S2353 PolarHBondContact O-OG 3.42Å; T1418-S2353 VanDerWaalsContact OG1-CA 3.28Å; T1418-S2353 WeakPolarHBondContact OG1-CA 3.19Å | ||
| 2354 | H | 37.2 | Very low | 34.7 | Very low | 161.333 Ų | 161.333 | 144.2 Ų | 144.2 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | trans | 177.6 | 133 | 140.1 | -79.8 | -60.8 | 0 | 0 | 0 | 112 | A1417 T1418 | A1417-H2354 VanDerWaalsContact CB-N 3.34Å; T1418-H2354 PolarHBondContact OG1-N 2.93Å | ||
| 2355 | K | 37.1 | Very low | 34.6 | Very low | 177 Ų | 177 | 143 Ų | 143 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | -99.4 | 138.7 | 92 | -86.1 | 175.7 | -173.1 | 174.1 | 0 | 111.9 | |||||
| 2356 | L | 38.3 | Very low | 34.5 | Very low | 162.667 Ų | 162.667 | 139.8 Ų | 139.8 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | 95.8 | 117.2 | 146.9 | -64.6 | 164.1 | 0 | 0 | 0 | 115.8 | ||||
| 2357 | S | 37.3 | Very low | 34.4 | Very low | 109.333 Ų | 109.333 | 135.6 Ų | 135.6 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | -122.1 | 116 | 118.4 | 19.8 | 0 | 0 | 0 | 0 | 114.6 | S2359 | S2357-S2359 VanDerWaalsContact C-N 3.31Å; S2357-S2359 PolarHBondContact O-N 2.9Å | |||
| 2358 | K | 34.6 | Very low | 34.4 | Very low | 185.333 Ų | 185.333 | 139.9 Ų | 139.9 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | -179 | 89.3 | 89.7 | -173.1 | 170.7 | -175 | 171.9 | 0 | 112.7 | R2360 | K2358-R2360 HydrophobicContact CG-CG 4.49Å; K2358-R2360 PolarHBondContact O-N 3.22Å | |||
| 2359 | S | 32.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -38.3 | 128.2 | 167.3 | -54.4 | 0 | 0 | 0 | 0 | 114.4 | S2357 | S2357-S2359 VanDerWaalsContact C-N 3.31Å; S2357-S2359 PolarHBondContact O-N 2.9Å | ||
| 2360 | R | 33.5 | Very low | 34.7 | Very low | 191.333 Ų | 191.333 | 148 Ų | 148 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -124.3 | 132.8 | 156.4 | -81.8 | 175.5 | 109.7 | 168.7 | 2.9 | 108.5 | K2358 D2362 E2810 | K2358-R2360 HydrophobicContact CG-CG 4.49Å; K2358-R2360 PolarHBondContact O-N 3.22Å; R2360-D2362 HydrophobicContact CB-CB 4.13Å; R2360-D2362 IonicContact CZ-OD2 3.48Å; R2360-D2362 IonicContact NE-OD2 3.42Å; R2360-D2362 PolarHBondContact NE-OD2 3.34Å; R2360-D2362 IonicContact NH2-OD2 2.69Å; R2360-D2362 PolarHBondContact NH2-OD2 2.93Å; R2360-E2810 IonicContact CZ-OE1 3.75Å; R2360-E2810 IonicContact NH1-OE1 3.94Å; R2360-E2810 PolarHBondContact NH1-OE1 3.16Å; R2360-E2810 IonicContact NH1-OE2 3.81Å | ||
| 2361 | S | 36.5 | Very low | 34.7 | Very low | 93.6667 Ų | 93.6667 | 143.4 Ų | 143.4 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | trans | 22.3 | 75 | 131.4 | 72.8 | 0 | 0 | 0 | 0 | 116.7 | H2363 | S2361-H2363 PolarHBondContact O-N 2.7Š| ||
| 2362 | D | 34.4 | Very low | 35.2 | Very low | 123.667 Ų | 123.667 | 149.6 Ų | 149.6 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | -66.4 | 107.2 | 153 | -65.8 | -63.1 | 0 | 0 | 0 | 114.8 | R2360 S2364 | R2360-D2362 HydrophobicContact CB-CB 4.13Å; R2360-D2362 IonicContact CZ-OD2 3.48Å; R2360-D2362 IonicContact NE-OD2 3.42Å; R2360-D2362 PolarHBondContact NE-OD2 3.34Å; R2360-D2362 IonicContact NH2-OD2 2.69Å; R2360-D2362 PolarHBondContact NH2-OD2 2.93Å; D2362-S2364 PolarHBondContact O-N 3.33Å; D2362-S2364 VanDerWaalsContact O-N 3.1Å | ||
| 2363 | H | 35.3 | Very low | 35.4 | Very low | 183.667 Ų | 183.667 | 151.2 Ų | 151.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -112.6 | 71.2 | 172.9 | -71.2 | -16.3 | 0 | 0 | 0 | 112.2 | S2361 S2365 | S2361-H2363 PolarHBondContact O-N 2.7Å; H2363-S2365 VanDerWaalsContact C-N 3.33Å; H2363-S2365 PolarHBondContact O-N 3.06Å; H2363-S2365 PolarHBondContact O-OG 3.45Å | ||
| 2364 | S | 31.6 | Very low | 35.7 | Very low | 108.667 Ų | 108.667 | 154 Ų | 154 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -118.9 | 123.5 | 165.2 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | D2362 A2366 | D2362-S2364 PolarHBondContact O-N 3.33Å; D2362-S2364 VanDerWaalsContact O-N 3.1Å; S2364-A2366 PolarHBondContact O-N 2.81Å | ||
| 2365 | S | 34.4 | Very low | 35.8 | Very low | 114.333 Ų | 114.333 | 155.9 Ų | 155.9 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 103.1 | -164.8 | -59.6 | 0 | 0 | 0 | 0 | 114.6 | H2363 S2367 | H2363-S2365 VanDerWaalsContact C-N 3.33Å; H2363-S2365 PolarHBondContact O-N 3.06Å; H2363-S2365 PolarHBondContact O-OG 3.45Å; S2365-S2367 PolarHBondContact O-N 3.4Å | ||
| 2366 | A | 31.8 | Very low | 35.9 | Very low | 100.667 Ų | 100.667 | 155.2 Ų | 155.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -118.2 | 115.3 | 131.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2364 R2368 | S2364-A2366 PolarHBondContact O-N 2.81Å; A2366-R2368 PolarHBondContact O-N 3.07Å | ||
| 2367 | S | 33.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 154.6 Ų | 154.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -130.8 | 117.1 | 166.9 | -165.1 | 0 | 0 | 0 | 0 | 114.1 | S2365 | S2365-S2367 PolarHBondContact O-N 3.4Š| ||
| 2368 | R | 36.3 | Very low | 35.7 | Very low | 231.667 Ų | 231.667 | 154.6 Ų | 154.6 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -156.2 | 105.1 | 159.3 | -70.2 | -176.9 | -177.3 | -160 | 3 | 112.6 | A2366 | A2366-R2368 PolarHBondContact O-N 3.07Š| ||
| 2369 | R | 36.6 | Very low | 35.9 | Very low | 222 Ų | 222 | 153.6 Ų | 153.6 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -136.3 | 133.2 | -176.5 | -138.8 | 177 | -173.6 | 175.3 | 2.8 | 112.9 | ||||
| 2370 | R | 35.4 | Very low | 36.2 | Very low | 220.667 Ų | 220.667 | 155.1 Ų | 155.1 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -173.5 | 144.5 | 158.4 | -104.6 | -179.4 | -178.4 | -170.2 | -0.6 | 111.3 | ||||
| 2371 | L | 37.1 | Very low | 36.4 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -130.1 | 143 | -37.9 | -82.6 | 158.7 | 0 | 0 | 0 | 110.1 | ||||
| 2372 | R | 39.1 | Very low | 36.4 | Very low | 231 Ų | 231 | 152.9 Ų | 152.9 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | 45.7 | 149 | 129.7 | -71.8 | -179.5 | 173.8 | -179.3 | -2.5 | 112.8 | |||||
| 2373 | T | 38.9 | Very low | 36.5 | Very low | 126.667 Ų | 126.667 | 153.3 Ų | 153.3 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | cis | -138.9 | 143.5 | 48.9 | 24.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2374 | T | 39.4 | Very low | 36.4 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -53.2 | 154 | 162.6 | 52.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2375 | K | 39 | Very low | 36.6 | Very low | 202.333 Ų | 202.333 | 152.6 Ų | 152.6 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | -149.9 | 147.1 | 138.9 | -132.8 | -178.2 | 177.6 | -168.4 | 0 | 110.3 | ||||
| 2376 | K | 38.5 | Very low | 36.6 | Very low | 161.333 Ų | 161.333 | 156.2 Ų | 156.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -92.5 | 151.2 | 176.1 | -66.5 | -171.8 | 166.3 | -161 | 0 | 113.1 | D2378 | K2376-D2378 VanDerWaalsContact CD-OD1 3.27Å; K2376-D2378 WeakPolarHBondContact CD-OD1 3.43Å; K2376-D2378 VanDerWaalsContact CE-OD1 3.28Å; K2376-D2378 WeakPolarHBondContact CE-OD1 3.46Å; K2376-D2378 IonicContact NZ-OD1 2.72Å; K2376-D2378 PolarHBondContact NZ-OD1 3.11Å | ||
| 2377 | H | 35.6 | Very low | 36.9 | Very low | 150 Ų | 150 | 154.6 Ų | 154.6 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | 131.9 | 137.9 | 119.3 | -91.3 | -92.1 | 0 | 0 | 0 | 110.1 | F1405 | F1405-H2377 PolarHBondContact O-ND1 2.96Š| |||
| 2378 | D | 36.5 | Very low | 36.9 | Very low | 108.667 Ų | 108.667 | 155.9 Ų | 155.9 | 58% | 0.581 | 76% | 0.763 | S | S | * | * | cis | -143.3 | -172.4 | -28.9 | -106.4 | -42.9 | 0 | 0 | 0 | 115.5 | F1405 H1407 K2376 | F1405-D2378 PolarHBondContact O-N 3.33Å; H1407-D2378 IonicContact CD2-OD2 3.81Å; H1407-D2378 VanDerWaalsContact N-CG 3.3Å; H1407-D2378 PolarHBondContact N-OD2 3.39Å; K2376-D2378 VanDerWaalsContact CD-OD1 3.27Å; K2376-D2378 WeakPolarHBondContact CD-OD1 3.43Å; K2376-D2378 VanDerWaalsContact CE-OD1 3.28Å; K2376-D2378 WeakPolarHBondContact CE-OD1 3.46Å; K2376-D2378 IonicContact NZ-OD1 2.72Å; K2376-D2378 PolarHBondContact NZ-OD1 3.11Å | ||
| 2379 | R | 37.8 | Very low | 36.8 | Very low | 165.667 Ų | 165.667 | 150.4 Ų | 150.4 | 63% | 0.625 | 76% | 0.755 | S | S | * | * | trans | -101.2 | 134.2 | 178.9 | 169.9 | -134.6 | -166.6 | 171.8 | -4.8 | 116.5 | F1405 S1406 Q2381 | F1405-R2379 PolarHBondContact O-N 3.2Å; S1406-R2379 VanDerWaalsContact O-CD 3.22Å; S1406-R2379 WeakPolarHBondContact O-CD 3.38Å; S1406-R2379 WeakPolarHBondContact O-CG 3.01Å; S1406-R2379 PolarHBondContact O-NE 2.87Å; R2379-Q2381 VanDerWaalsContact NH2-CD 3.31Å | ||
| 2380 | E | 38.4 | Very low | 36.8 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | 179.7 | 139.3 | 126.6 | -98.6 | 166.5 | -168.8 | 0 | 0 | 112.3 | F1405 | F1405-E2380 WeakPolarHBondContact CB-OE1 3.43Å; F1405-E2380 WeakPolarHBondContact CD2-OE1 2.56Å; F1405-E2380 WeakPolarHBondContact CG-OE1 3.37Å | |||
| 2381 | Q | 38.7 | Very low | 36.8 | Very low | 139.333 Ų | 139.333 | 145.6 Ų | 145.6 | 65% | 0.651 | 75% | 0.752 | S | S | * | * | 95.2 | 133.5 | 79.8 | -84.8 | -172.8 | 35.9 | 0 | 0 | 113.6 | R2379 | R2379-Q2381 VanDerWaalsContact NH2-CD 3.31Š| |||
| 2382 | S | 36.5 | Very low | 36.9 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | 70.8 | 125.9 | 92.6 | -28.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 2383 | T | 36.2 | Very low | 36.6 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | cis | 177.8 | 146.4 | 32.9 | 34.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 2384 | D | 33.3 | Very low | 36.3 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | trans | 3.3 | 162.8 | 148.2 | -118.1 | -30.7 | 0 | 0 | 0 | 119.6 | ||||
| 2385 | V | 36.1 | Very low | 36.2 | Very low | 124.667 Ų | 124.667 | 143.1 Ų | 143.1 | 76% | 0.756 | 74% | 0.736 | S | S | * | * | trans | 111.5 | 105.8 | 163.7 | -167.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2386 | Q | 34.6 | Very low | 35.9 | Very low | 188.667 Ų | 188.667 | 138.2 Ų | 138.2 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | 50.9 | 110.6 | 106.7 | -176.1 | 178 | 16.6 | 0 | 0 | 115.3 | |||||
| 2387 | G | 36.5 | Very low | 35.9 | Very low | 68.3333 Ų | 68.3333 | 136 Ų | 136 | 70% | 0.704 | 73% | 0.732 | S | S | * | * | trans | 142.7 | 120.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2388 | T | 35.4 | Very low | 36.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | -101.3 | 136.4 | 93.7 | 35.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2389 | T | 34.1 | Very low | 36 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | 91.4 | 122 | 144.4 | -49.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2390 | Q | 34.6 | Very low | 36 | Very low | 173.667 Ų | 173.667 | 133 Ų | 133 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | 56.7 | 117.2 | 152.3 | -69.8 | 167.1 | -10.2 | 0 | 0 | 121.3 | ||||
| 2391 | E | 35.5 | Very low | 35.9 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | 17.8 | 156.2 | 128.7 | -101 | -161.5 | 133.4 | 0 | 0 | 119 | |||||
| 2392 | P | 39.9 | Very low | 35.9 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | cis | -140.4 | 172.9 | 1.3 | 35 | -15.6 | 0 | 0 | 0 | 115 | ||||
| 2393 | H | 32.7 | Very low | 35.9 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 70.6 | 144.8 | 143.7 | -79.4 | -61.4 | 0 | 0 | 0 | 122.9 | ||||
| 2394 | I | 33.9 | Very low | 36.3 | Very low | 131.333 Ų | 131.333 | 135.3 Ų | 135.3 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | 78.7 | 127.7 | 148.7 | -66.7 | 166.4 | 0 | 0 | 0 | 116.2 | ||||
| 2395 | K | 37 | Very low | 36.5 | Very low | 188.667 Ų | 188.667 | 134.1 Ų | 134.1 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | trans | 107.4 | 129.7 | 153 | -77.7 | 154.9 | -165 | 168.9 | 0 | 112.9 | ||||
| 2396 | S | 32.4 | Very low | 36.7 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | cis | 142.9 | 126.6 | 12.6 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2397 | S | 38.2 | Very low | 36.7 | Very low | 115.667 Ų | 115.667 | 133.8 Ų | 133.8 | 81% | 0.809 | 73% | 0.73 | S | S | * | * | trans | -26.6 | 154.5 | 162.7 | -41.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2398 | P | 40.1 | Very low | 36.6 | Very low | 107.333 Ų | 107.333 | 135.2 Ų | 135.2 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | -145.4 | 164 | 86.5 | 28.5 | -8.2 | 0 | 0 | 0 | 116.1 | |||||
| 2399 | T | 33.6 | Very low | 36.3 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | 63.8 | 150.2 | 121 | 24.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 2400 | I | 38.6 | Very low | 36.2 | Very low | 140.667 Ų | 140.667 | 136.5 Ų | 136.5 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | cis | -144.5 | 129.7 | 34.3 | -94.6 | 155.4 | 0 | 0 | 0 | 107.9 | ||||
| 2401 | E | 36.5 | Very low | 35.9 | Very low | 161.5 Ų | 161.5 | 133.7 Ų | 133.7 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -15.9 | 143.2 | 136 | -56.8 | 162.3 | 150.7 | 0 | 0 | 112.4 | ||||
| 2402 | T | 39.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | -155.9 | 121.9 | 110.5 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | I2404 | T2402-I2404 HydrophobicContact CG2-CG1 4.35Š| |||
| 2403 | D | 36.7 | Very low | 35.3 | Very low | 131.5 Ų | 131.5 | 133.2 Ų | 133.2 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -63.8 | 160 | 164.8 | -56 | -74.1 | 0 | 0 | 0 | 111.7 | ||||
| 2404 | I | 43 | Very low | 35.1 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | -147.7 | 112.1 | 116.1 | -71.5 | 167.8 | 0 | 0 | 0 | 109.7 | T2402 | T2402-I2404 HydrophobicContact CG2-CG1 4.35Š| |||
| 2405 | N | 38.4 | Very low | 34.9 | Very low | 127.5 Ų | 127.5 | 136.1 Ų | 136.1 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | -21.3 | 144 | 151.5 | -53.6 | -72 | 0 | 0 | 0 | 115.5 | ||||
| 2406 | K | 39.4 | Very low | 34.7 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 73% | 0.726 | 73% | 0.733 | S | S | * | * | 179.6 | 136.2 | 99.7 | -96.3 | 174.4 | 171.7 | -77.8 | 0 | 112 | |||||
| 2407 | E | 35.9 | Very low | 34.5 | Very low | 140.5 Ų | 140.5 | 136.3 Ų | 136.3 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | 60.4 | 126.9 | 107 | -122.2 | 178.3 | 173.6 | 0 | 0 | 115.6 | |||||
| 2408 | S | 32.8 | Very low | 34.2 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | cis | 131 | 163 | 28.8 | -72.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2409 | T | 30.7 | Very low | 33.9 | Very low | 114.5 Ų | 114.5 | 135.8 Ų | 135.8 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | -65.6 | 159.6 | 77.6 | 19 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2410 | E | 31 | Very low | 33.8 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | -89.9 | 157.6 | 83.1 | -91.7 | 162.7 | -171.4 | 0 | 0 | 113.6 | |||||
| 2411 | T | 29.4 | Very low | 33.7 | Very low | 116 Ų | 116 | 133 Ų | 133 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | 117.4 | 140.3 | 110.7 | 37.8 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 2412 | M | 31.3 | Very low | 33.7 | Very low | 185.5 Ų | 185.5 | 132.6 Ų | 132.6 | 91% | 0.914 | 73% | 0.729 | S | S | * | * | trans | 50.3 | 129.7 | 144.5 | -57.2 | -82.7 | -85.7 | 0 | 0 | 118.3 | ||||
| 2413 | G | 30.6 | Very low | 33.6 | Very low | 71.5 Ų | 71.5 | 134.2 Ų | 134.2 | 74% | 0.737 | 73% | 0.727 | S | S | * | * | 118.2 | 158.5 | 71.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2414 | D | 29.4 | Very low | 33.5 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | 130.2 | 168.7 | -104.1 | -128.8 | -1.7 | 0 | 0 | 0 | 113 | |||||
| 2415 | R | 29.3 | Very low | 33.3 | Very low | 202.5 Ų | 202.5 | 139.7 Ų | 139.7 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | 52.3 | 112.3 | 153.7 | -80.3 | 168.2 | 157.8 | -136.5 | -10.7 | 119 | ||||
| 2416 | L | 31.2 | Very low | 33.2 | Very low | 133.5 Ų | 133.5 | 138.8 Ų | 138.8 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | 76.5 | 150.5 | 99.9 | -69.7 | 168.1 | 0 | 0 | 0 | 114.2 | |||||
| 2417 | E | 30 | Very low | 33.4 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | 136.8 | 156.8 | 83.6 | -104 | 164.3 | -129.7 | 0 | 0 | 113.1 | |||||
| 2418 | S | 30.4 | Very low | 33.5 | Very low | 99.5 Ų | 99.5 | 135.9 Ų | 135.9 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | 134.1 | 158.3 | 71.1 | -94.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 2419 | S | 34.7 | Very low | 33.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | 133.8 | 148.4 | -99.2 | 66.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2420 | S | 32.2 | Very low | 34.1 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | 139.5 | 147.8 | 76.4 | -150.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 2421 | S | 35.9 | Very low | 34.3 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | 111.9 | 132.7 | 73.3 | 42.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2422 | H | 37.1 | Very low | 34.6 | Very low | 154.5 Ų | 154.5 | 141.3 Ų | 141.3 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | cis | 129.1 | 149.7 | 45.1 | -83.6 | 5.4 | 0 | 0 | 0 | 111 | ||||
| 2423 | K | 36.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 140 Ų | 140 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | cis | -164.4 | 134.6 | -7.9 | -108 | 170 | -179.4 | 162.8 | 0 | 108.5 | ||||
| 2424 | R | 35.3 | Very low | 35.2 | Very low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | 42.2 | 149.9 | 145.5 | -59.7 | 174.3 | -179.6 | -175.1 | -2.9 | 117.2 | ||||
| 2425 | K | 37.8 | Very low | 35.6 | Very low | 170.5 Ų | 170.5 | 144.8 Ų | 144.8 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | cis | -178.6 | 148.8 | 16.2 | -118.3 | -171.8 | 159.3 | -118.5 | 0 | 109.6 | ||||
| 2426 | D | 36.6 | Very low | 35.9 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | 121.3 | 156.4 | 71.5 | -65.6 | -27.1 | 0 | 0 | 0 | 116.4 | |||||
| 2427 | V | 43.3 | Very low | 36.3 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 50% | 0.503 | 73% | 0.732 | S | S | . | * | 77.2 | 119.9 | 103.7 | -170.1 | 0 | 0 | 0 | 0 | 115.6 | N2461 | V2427-N2461 PolarHBondContact O-ND2 3.25Š| |||
| 2428 | Q | 37.8 | Very low | 36.7 | Very low | 162.5 Ų | 162.5 | 145.5 Ų | 145.5 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | -163.5 | -175.7 | 60.9 | -144.5 | 156.3 | 7.1 | 0 | 0 | 115.2 | |||||
| 2429 | H | 39.5 | Very low | 37 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | -79.9 | 144.5 | -171.4 | -75.3 | -78.7 | 0 | 0 | 0 | 116.2 | ||||
| 2430 | Q | 37.5 | Very low | 37.1 | Very low | 184.5 Ų | 184.5 | 153.5 Ų | 153.5 | 86% | 0.862 | 74% | 0.74 | S | S | * | * | 126.6 | 129 | 107.1 | -94 | 177.9 | -5.5 | 0 | 0 | 112.7 | |||||
| 2431 | E | 33.9 | Very low | 37.3 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | -138.2 | 132.1 | 89.3 | -167.5 | 178.5 | -177 | 0 | 0 | 110.9 | Q2433 | E2431-Q2433 PolarHBondContact O-N 3.28Š| |||
| 2432 | G | 36.9 | Very low | 37.2 | Very low | 73.5 Ų | 73.5 | 155.5 Ų | 155.5 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | -7.9 | 116 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2433 | Q | 36.9 | Very low | 37.1 | Very low | 159 Ų | 159 | 157.8 Ų | 157.8 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 8.3 | 155.2 | 78.2 | -58.3 | -170.9 | 14.6 | 0 | 0 | 115.5 | E2431 | E2431-Q2433 PolarHBondContact O-N 3.28Š| |||
| 2434 | K | 36.6 | Very low | 37.3 | Very low | 165.5 Ų | 165.5 | 159.3 Ų | 159.3 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | 146.6 | 158.7 | 83.8 | -92.5 | 172.1 | -176.2 | 165.7 | 0 | 114.7 | |||||
| 2435 | H | 37.7 | Very low | 37.4 | Very low | 154.5 Ų | 154.5 | 156.9 Ų | 156.9 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | 149.8 | 131 | 81.6 | -73.8 | -64 | 0 | 0 | 0 | 112.6 | |||||
| 2436 | R | 36.9 | Very low | 37.4 | Very low | 231.5 Ų | 231.5 | 157.3 Ų | 157.3 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | 57.1 | 135.7 | 83.2 | -77 | -167.3 | 179.9 | -163.3 | 0.7 | 114.6 | |||||
| 2437 | S | 39.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 160.4 Ų | 160.4 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | cis | -177 | 156.7 | -5.4 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2438 | K | 38.2 | Very low | 37.3 | Very low | 179.5 Ų | 179.5 | 161.3 Ų | 161.3 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | 103.1 | 126.6 | 136.3 | -85.3 | -176.3 | 172.1 | -172.3 | 0 | 117.8 | ||||
| 2439 | Y | 36.6 | Very low | 37.6 | Very low | 201.5 Ų | 201.5 | 161.8 Ų | 161.8 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 111.7 | 134.1 | 147.1 | -72.2 | -64.4 | 0 | 0 | 0 | 111.9 | ||||
| 2440 | E | 36.4 | Very low | 37.6 | Very low | 179 Ų | 179 | 163.6 Ų | 163.6 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | cis | 143.8 | 132.6 | 42.2 | -159.5 | 162.4 | -151.4 | 0 | 0 | 112.7 | ||||
| 2441 | A | 36.7 | Very low | 37.5 | Very low | 83 Ų | 83 | 165.9 Ų | 165.9 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | -158.6 | 147.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y2443 | A2441-Y2443 HydrophobicContact CB-CD2 4.19Å; A2441-Y2443 PolarHBondContact O-N 2.95Å; A2441-Y2443 VanDerWaalsContact O-N 3.16Å | ||
| 2442 | N | 34.1 | Very low | 37.8 | Very low | 154 Ų | 154 | 164.5 Ų | 164.5 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -120 | 122.6 | 161.2 | -100.6 | -45.3 | 0 | 0 | 0 | 113.2 | ||||
| 2443 | Y | 36 | Very low | 37.7 | Very low | 202.5 Ų | 202.5 | 169.1 Ų | 169.1 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -31.9 | 124.7 | 175.4 | -76.2 | -87.5 | 0 | 0 | 0 | 115.9 | A2441 H2445 | A2441-Y2443 HydrophobicContact CB-CD2 4.19Å; A2441-Y2443 PolarHBondContact O-N 2.95Å; A2441-Y2443 VanDerWaalsContact O-N 3.16Å; Y2443-H2445 PolarHBondContact O-N 3.18Å | ||
| 2444 | K | 39.1 | Very low | 37.9 | Very low | 182 Ų | 182 | 169.2 Ų | 169.2 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 3.7 | 128.8 | 120 | -64.6 | 167.5 | 179 | 163.6 | 0 | 112.3 | H2446 | K2444-H2446 PolarHBondContact O-N 2.86Š| |||
| 2445 | H | 37.4 | Very low | 37.9 | Very low | 176 Ų | 176 | 166.5 Ų | 166.5 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | -96.2 | 128.2 | 92.9 | -95.9 | -80.9 | 0 | 0 | 0 | 112.3 | Y2443 H2447 | Y2443-H2445 PolarHBondContact O-N 3.18Å; H2445-H2447 PolarHBondContact O-N 3.27Å; H2445-H2447 VanDerWaalsContact O-N 3.09Å | |||
| 2446 | H | 38.1 | Very low | 37.7 | Very low | 179 Ų | 179 | 163 Ų | 163 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -77.3 | 127.7 | 164.6 | -80 | -81.2 | 0 | 0 | 0 | 111 | K2444 D2448 | K2444-H2446 PolarHBondContact O-N 2.86Å; H2446-D2448 PolarHBondContact O-N 3.06Å | ||
| 2447 | H | 42.1 | Very low | 37.5 | Very low | 175 Ų | 175 | 160.3 Ų | 160.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -100.3 | 100.4 | 152.7 | -88.1 | -61.9 | 0 | 0 | 0 | 109.7 | H2445 H2449 | H2445-H2447 PolarHBondContact O-N 3.27Å; H2445-H2447 VanDerWaalsContact O-N 3.09Å; H2447-H2449 VanDerWaalsContact C-N 3.29Å; H2447-H2449 PolarHBondContact O-N 2.79Å | ||
| 2448 | D | 36.6 | Very low | 37.2 | Very low | 101.5 Ų | 101.5 | 163.6 Ų | 163.6 | 54% | 0.543 | 78% | 0.776 | S | S | . | * | trans | -79.5 | 113.7 | 176.9 | -174.2 | 6.4 | 0 | 0 | 0 | 110.1 | H2446 R2450 | H2446-D2448 PolarHBondContact O-N 3.06Å; D2448-R2450 PolarHBondContact O-N 3.38Å; D2448-R2450 WeakPolarHBondContact OD1-CG 3.26Å; D2448-R2450 PolarHBondContact OD1-N 3.07Å; D2448-R2450 WeakPolarHBondContact OD2-CD 3.49Å; D2448-R2450 WeakPolarHBondContact OD2-CG 3.2Å; D2448-R2450 IonicContact OD2-CZ 3Å; D2448-R2450 IonicContact OD2-NE 2.64Å; D2448-R2450 PolarHBondContact OD2-NE 3.23Å; D2448-R2450 IonicContact OD2-NH2 2.66Å | ||
| 2449 | H | 43.7 | Very low | 36.9 | Very low | 174 Ų | 174 | 162.7 Ų | 162.7 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -101.5 | 55.8 | 173.7 | -84 | -14.4 | 0 | 0 | 0 | 111.9 | H2447 R2451 | H2447-H2449 VanDerWaalsContact C-N 3.29Å; H2447-H2449 PolarHBondContact O-N 2.79Å; H2449-R2451 PolarHBondContact O-N 3.18Å | ||
| 2450 | R | 38.2 | Very low | 36.9 | Very low | 200.5 Ų | 200.5 | 158.3 Ų | 158.3 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -50.7 | 105.3 | 163.7 | -67.9 | -175.5 | -176.9 | -142 | -4.9 | 111.4 | D2448 H2452 | D2448-R2450 PolarHBondContact O-N 3.38Å; D2448-R2450 WeakPolarHBondContact OD1-CG 3.26Å; D2448-R2450 PolarHBondContact OD1-N 3.07Å; D2448-R2450 WeakPolarHBondContact OD2-CD 3.49Å; D2448-R2450 WeakPolarHBondContact OD2-CG 3.2Å; D2448-R2450 IonicContact OD2-CZ 3Å; D2448-R2450 IonicContact OD2-NE 2.64Å; D2448-R2450 PolarHBondContact OD2-NE 3.23Å; D2448-R2450 IonicContact OD2-NH2 2.66Å; R2450-H2452 PolarHBondContact O-N 3.05Å | ||
| 2451 | R | 37.1 | Very low | 36.6 | Very low | 232.5 Ų | 232.5 | 155.5 Ų | 155.5 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -105.3 | 78.4 | 152.3 | -69.8 | -172.8 | 175.6 | -123.6 | -5.7 | 107.8 | H2449 K2453 | H2449-R2451 PolarHBondContact O-N 3.18Å; R2451-K2453 PolarHBondContact O-N 2.84Å | ||
| 2452 | H | 40 | Very low | 36.4 | Very low | 151.5 Ų | 151.5 | 160.4 Ų | 160.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 1 | 133.6 | 123.9 | -167.1 | 58.7 | 0 | 0 | 0 | 110.7 | R2450 H2454 | R2450-H2452 PolarHBondContact O-N 3.05Å; H2452-H2454 PolarHBondContact O-N 3.19Å; H2452-H2454 VanDerWaalsContact O-N 3.1Å | |||
| 2453 | K | 34.9 | Very low | 36.5 | Very low | 170 Ų | 170 | 158.2 Ų | 158.2 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 4 | 113.5 | -178.1 | -62.4 | -176 | 174.9 | -167.8 | 0 | 111.7 | R2451 S2455 | R2451-K2453 PolarHBondContact O-N 2.84Å; K2453-S2455 PolarHBondContact O-N 3.22Å | ||
| 2454 | H | 41.1 | Very low | 36.4 | Very low | 161.5 Ų | 161.5 | 154.3 Ų | 154.3 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | -108.4 | 110.1 | 75.8 | -78.9 | -70.2 | 0 | 0 | 0 | 109.3 | H2452 G2456 | H2452-H2454 PolarHBondContact O-N 3.19Å; H2452-H2454 VanDerWaalsContact O-N 3.1Å; H2454-G2456 PolarHBondContact O-N 3.23Å | |||
| 2455 | S | 35.2 | Very low | 36.1 | Very low | 109.5 Ų | 109.5 | 151.7 Ų | 151.7 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -69.8 | 101.4 | 161.5 | 48 | 0 | 0 | 0 | 0 | 108.5 | K2453 H2457 | K2453-S2455 PolarHBondContact O-N 3.22Å; S2455-H2457 VanDerWaalsContact C-N 3.31Å; S2455-H2457 PolarHBondContact O-N 3.12Å; S2455-H2457 VanDerWaalsContact O-N 3.11Å | ||
| 2456 | G | 33.5 | Very low | 35.9 | Very low | 79.5 Ų | 79.5 | 146 Ų | 146 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | trans | -76.9 | 71.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H2454 H2458 | H2454-G2456 PolarHBondContact O-N 3.23Å; G2456-H2458 PolarHBondContact O-N 3.28Å | ||
| 2457 | H | 33.9 | Very low | 35.7 | Very low | 175.5 Ų | 175.5 | 144.5 Ų | 144.5 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -82.3 | 135.3 | 158.7 | -112.5 | -86.8 | 0 | 0 | 0 | 108.2 | S2455 | S2455-H2457 VanDerWaalsContact C-N 3.31Å; S2455-H2457 PolarHBondContact O-N 3.12Å; S2455-H2457 VanDerWaalsContact O-N 3.11Å | ||
| 2458 | H | 32 | Very low | 35.4 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | trans | -83.8 | 123.9 | 162.6 | -116.5 | -88.4 | 0 | 0 | 0 | 111 | G2456 | G2456-H2458 PolarHBondContact O-N 3.28Š| ||
| 2459 | E | 32.6 | Very low | 35.4 | Very low | 160.5 Ų | 160.5 | 148.8 Ų | 148.8 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | -114 | 162.5 | 115.2 | -92.5 | 132 | 178.8 | 0 | 0 | 111.3 | |||||
| 2460 | S | 36.4 | Very low | 34.9 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -133.3 | 105 | 168.1 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2461 | N | 30.6 | Very low | 34.7 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | trans | -8 | 125.7 | 165.8 | -58.6 | -13.4 | 0 | 0 | 0 | 115.3 | V2427 | V2427-N2461 PolarHBondContact O-ND2 3.25Š| ||
| 2462 | E | 32.4 | Very low | 34.7 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -150.5 | 102.6 | 130.6 | -85.7 | -165.9 | 138 | 0 | 0 | 111.8 | ||||
| 2463 | T | 35.3 | Very low | 34.5 | Very low | 107.5 Ų | 107.5 | 139.8 Ų | 139.8 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | 41.9 | 110.2 | 125.3 | 2.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 2464 | T | 34.6 | Very low | 34.5 | Very low | 120.5 Ų | 120.5 | 137.4 Ų | 137.4 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | 141.2 | 165.3 | 57.6 | -23.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 2465 | T | 33.4 | Very low | 34.2 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | 136.5 | 131.3 | 88.3 | 4.3 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 2466 | G | 32.4 | Very low | 34.2 | Very low | 56 Ų | 56 | 135.3 Ų | 135.3 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | 99.6 | 141.8 | 129.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 2467 | N | 33.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | cis | -151.7 | 155.9 | -8 | -120.8 | -8 | 0 | 0 | 0 | 112.1 | ||||
| 2468 | Q | 37.4 | Very low | 34.5 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | trans | -54.5 | 156.3 | 173.6 | -63 | 169.7 | -10.7 | 0 | 0 | 116.6 | ||||
| 2469 | K | 35.3 | Very low | 34.7 | Very low | 187.5 Ų | 187.5 | 137.2 Ų | 137.2 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | -155 | 132.8 | 129.3 | -137.9 | -163.6 | 174.3 | -169.3 | 0 | 114.7 | |||||
| 2470 | T | 34.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | trans | 43.5 | 118.5 | 152.1 | 47.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2471 | T | 34 | Very low | 34.8 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | -3.3 | 159.8 | 98.4 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 2472 | K | 37.2 | Very low | 34.8 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | -156.8 | 144.4 | 91.5 | -141.5 | -177.6 | -176.1 | -122.6 | 0 | 111.2 | |||||
| 2473 | E | 34.5 | Very low | 35 | Very low | 155.5 Ų | 155.5 | 138.3 Ų | 138.3 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -12.9 | 170.7 | 161.9 | -69.6 | 148 | 156.6 | 0 | 0 | 117.5 | ||||
| 2474 | L | 35.2 | Very low | 34.9 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | 171.1 | 146.5 | 79.3 | -98.5 | 168.3 | 0 | 0 | 0 | 110.6 | A2844 S2845 | L2474-A2844 CarbonylContact C-O 3.46Å; L2474-A2844 VanDerWaalsContact C-O 3.29Å; L2474-A2844 CarbonylContact O-C 3.46Å; L2474-S2845 CarbonylContact C-O 3.4Å; L2474-S2845 PolarHBondContact O-N 2.97Å | |||
| 2475 | N | 33.8 | Very low | 34.9 | Very low | 98.5 Ų | 98.5 | 141.8 Ų | 141.8 | 53% | 0.527 | 74% | 0.741 | S | S | . | * | 99 | 159.2 | 62.6 | -99 | 22.2 | 0 | 0 | 0 | 116.8 | T2843 A2844 S2845 | N2475-T2843 CarbonylContact C-O 3.19Å; N2475-A2844 PolarHBondContact N-O 3.14Å; N2475-A2844 CarbonylContact O-C 3.58Å; N2475-A2844 WeakPolarHBondContact O-CB 3.48Å; N2475-S2845 PolarHBondContact O-N 2.9Å | |||
| 2476 | E | 35.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 60% | 0.603 | 74% | 0.738 | S | S | * | * | 138.2 | 129.5 | 77.8 | -103.9 | 164.2 | -171.5 | 0 | 0 | 120.3 | T2843 A2844 | E2476-T2843 PolarHBondContact N-O 3.5Å; E2476-T2843 VanDerWaalsContact N-O 3.09Å; E2476-A2844 VanDerWaalsContact O-CB 3.27Å; E2476-A2844 WeakPolarHBondContact O-CB 3.4Å | |||
| 2477 | M | 36.3 | Very low | 35 | Very low | 148.5 Ų | 148.5 | 147.7 Ų | 147.7 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 71.5 | 141.5 | 136.5 | -106.2 | 140.3 | 1.2 | 0 | 0 | 124.9 | T2843 | M2477-T2843 PolarHBondContact N-OG1 3.38Š| ||
| 2478 | P | 38.3 | Very low | 35 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | -116 | 179.7 | -178.4 | 42.8 | -31.9 | 0 | 0 | 0 | 114.8 | ||||
| 2479 | K | 36.7 | Very low | 34.6 | Very low | 208 Ų | 208 | 143.6 Ų | 143.6 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | trans | -155.2 | 156.8 | 154.2 | -92.1 | 173.8 | -176.7 | 179.9 | 0 | 113.6 | ||||
| 2480 | S | 31.6 | Very low | 34.4 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -97.1 | 169.3 | 176.6 | -47.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2481 | D | 37.5 | Very low | 34.1 | Very low | 172 Ų | 172 | 143 Ų | 143 | 92% | 0.92 | 76% | 0.761 | S | S | * | * | trans | -158.9 | 169.3 | 131.8 | -91.2 | -28.5 | 0 | 0 | 0 | 111.5 | ||||
| 2482 | Q | 32.2 | Very low | 34.1 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -144 | 136.3 | -157 | 170.1 | -175.9 | -10.5 | 0 | 0 | 111.5 | ||||
| 2483 | L | 35.7 | Very low | 33.8 | Very low | 156.5 Ų | 156.5 | 139.4 Ų | 139.4 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | trans | -158.2 | 141 | 157 | -97.1 | 161.9 | 0 | 0 | 0 | 108.9 | I2485 | L2483-I2485 HydrophobicContact CD2-CD1 4.26Š| ||
| 2484 | E | 33.2 | Very low | 33.7 | Very low | 154.5 Ų | 154.5 | 143.1 Ų | 143.1 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | -27.3 | 143.4 | 109.2 | -113.8 | 169.2 | -177.9 | 0 | 0 | 111.6 | |||||
| 2485 | I | 34.6 | Very low | 33.7 | Very low | 146.5 Ų | 146.5 | 145.2 Ų | 145.2 | 75% | 0.751 | 77% | 0.771 | S | S | * | * | 179.1 | 146.3 | 129.5 | -92.6 | 158.9 | 0 | 0 | 0 | 112.5 | L2483 | L2483-I2485 HydrophobicContact CD2-CD1 4.26Š| |||
| 2486 | D | 33.9 | Very low | 33.6 | Very low | 135.5 Ų | 135.5 | 148.6 Ų | 148.6 | 73% | 0.725 | 78% | 0.784 | S | S | * | * | trans | 0.3 | 139.9 | -179.4 | -70.1 | -41.3 | 0 | 0 | 0 | 124.8 | ||||
| 2487 | Q | 33.7 | Very low | 33.7 | Very low | 173.5 Ų | 173.5 | 150.3 Ų | 150.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -16.7 | 140.5 | 146.2 | -58.4 | 166.5 | 26.6 | 0 | 0 | 116.2 | ||||
| 2488 | S | 33.3 | Very low | 33.5 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -159.7 | 131.2 | 133 | -80.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2489 | S | 29.6 | Very low | 33.5 | Very low | 112.5 Ų | 112.5 | 153.2 Ų | 153.2 | 79% | 0.787 | 81% | 0.805 | S | S | * | * | trans | -108.3 | 146.6 | -177.8 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2490 | L | 31.6 | Very low | 33.1 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -157.8 | 135.5 | 162.1 | -111.6 | 167.1 | 0 | 0 | 0 | 111.2 | ||||
| 2491 | S | 28 | Very low | 33.1 | Very low | 112.5 Ų | 112.5 | 150.5 Ų | 150.5 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | trans | -125.3 | 120.7 | -172.5 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2492 | T | 32.4 | Very low | 32.9 | Very low | 129.5 Ų | 129.5 | 147.3 Ų | 147.3 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -154.3 | 137.1 | 160.2 | 43.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2493 | S | 31.5 | Very low | 32.8 | Very low | 100.5 Ų | 100.5 | 146.4 Ų | 146.4 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | cis | 129.4 | 115.1 | 13.7 | 119.4 | 0 | 0 | 0 | 0 | 109.8 | K2495 | S2493-K2495 PolarHBondContact O-N 3.48Š| ||
| 2494 | Y | 32.6 | Very low | 32.8 | Very low | 233.5 Ų | 233.5 | 146.6 Ų | 146.6 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -104.1 | 150 | 161.6 | -79.5 | -76.8 | 0 | 0 | 0 | 112 | ||||
| 2495 | K | 36.4 | Very low | 32.8 | Very low | 163.5 Ų | 163.5 | 145.8 Ų | 145.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -126 | 148.5 | 167.6 | -73.7 | 176.2 | 111.5 | -138.5 | 0 | 107.7 | S2493 E2497 | S2493-K2495 PolarHBondContact O-N 3.48Å; K2495-E2497 IonicContact NZ-OE1 2.76Å; K2495-E2497 PolarHBondContact NZ-OE1 2.8Å | ||
| 2496 | E | 31.6 | Very low | 32.9 | Very low | 170.5 Ų | 170.5 | 146 Ų | 146 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | -122.9 | 154.4 | 91 | -111 | 149.6 | 170 | 0 | 0 | 108.5 | |||||
| 2497 | E | 36.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | 150 | 107 | 164.3 | -67.3 | -178.6 | 172.8 | 0 | 0 | 113.7 | K2495 P2499 | K2495-E2497 IonicContact NZ-OE1 2.76Å; K2495-E2497 PolarHBondContact NZ-OE1 2.8Å; E2497-P2499 VanDerWaalsContact O-CD 3.3Å; E2497-P2499 WeakPolarHBondContact O-CD 3.24Å | ||
| 2498 | E | 33.1 | Very low | 33.2 | Very low | 194.5 Ų | 194.5 | 143 Ų | 143 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 145.2 | 155.9 | -68.5 | -179.2 | 116.2 | 0 | 0 | 109.5 | ||||
| 2499 | P | 36.5 | Very low | 33.4 | Very low | 120.5 Ų | 120.5 | 141.1 Ų | 141.1 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | -121.8 | 133.2 | 131.8 | 35.2 | -28.6 | 0 | 0 | 0 | 112.4 | E2497 | E2497-P2499 VanDerWaalsContact O-CD 3.3Å; E2497-P2499 WeakPolarHBondContact O-CD 3.24Å | ||
| 2500 | S | 30.1 | Very low | 33.7 | Very low | 107.5 Ų | 107.5 | 142.4 Ų | 142.4 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -76.9 | 152 | 168.8 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2501 | I | 30.7 | Very low | 33.9 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | 166.1 | 124.9 | 162 | -71.8 | 169.2 | 0 | 0 | 0 | 113.7 | ||||
| 2502 | T | 33.2 | Very low | 34.4 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | trans | -14 | 152.7 | 163.6 | 54.7 | 0 | 0 | 0 | 0 | 117.9 | N2504 | T2502-N2504 PolarHBondContact O-ND2 3Š| ||
| 2503 | D | 30.5 | Very low | 34.6 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 47.4 | 91.7 | 141.4 | -56.4 | -37.8 | 0 | 0 | 0 | 117.9 | ||||
| 2504 | N | 34.8 | Very low | 35 | Very low | 161.5 Ų | 161.5 | 141.2 Ų | 141.2 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -122.9 | 79.3 | 159.8 | -93.4 | -71.5 | 0 | 0 | 0 | 110.4 | T2502 L2506 | T2502-N2504 PolarHBondContact O-ND2 3Å; N2504-L2506 PolarHBondContact O-N 2.66Å | ||
| 2505 | L | 34.6 | Very low | 35.3 | Very low | 137.5 Ų | 137.5 | 138.2 Ų | 138.2 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -86.8 | 88.2 | 178.7 | -155.2 | 163.3 | 0 | 0 | 0 | 108.6 | F2259 I2507 | F2259-L2505 HydrophobicContact CE2-CD2 4.09Å; L2505-I2507 HydrophobicContact CD2-CG1 4.22Å; L2505-I2507 PolarHBondContact O-N 3.1Å | ||
| 2506 | L | 35.1 | Very low | 35.3 | Very low | 149.5 Ų | 149.5 | 140.4 Ų | 140.4 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -64.5 | 97.8 | -170.4 | -172.7 | 69 | 0 | 0 | 0 | 112.8 | N2504 I2508 | N2504-L2506 PolarHBondContact O-N 2.66Å; L2506-I2508 HydrophobicContact CD2-CD1 4.31Å; L2506-I2508 HydrophobicContact CD2-CG1 4.28Å; L2506-I2508 HydrophobicContact CG-CG1 4.28Å; L2506-I2508 PolarHBondContact O-N 2.98Å | ||
| 2507 | I | 35.8 | Very low | 35.7 | Very low | 98.5 Ų | 98.5 | 140.3 Ų | 140.3 | 51% | 0.505 | 74% | 0.744 | S | S | . | * | trans | -90.7 | 100 | 173.1 | -59.8 | 168.2 | 0 | 0 | 0 | 108.8 | F2259 L2505 T2509 | F2259-I2507 HydrophobicContact CE1-CD1 4.16Å; F2259-I2507 HydrophobicContact CE1-CG1 4.32Å; F2259-I2507 HydrophobicContact CE1-CG2 4.33Å; F2259-I2507 HydrophobicContact CE2-CG1 4.47Å; F2259-I2507 HydrophobicContact CZ-CD1 3.6Å; F2259-I2507 HydrophobicContact CZ-CG1 3.7Å; L2505-I2507 HydrophobicContact CD2-CG1 4.22Å; L2505-I2507 PolarHBondContact O-N 3.1Å; I2507-T2509 HydrophobicContact CG2-CG2 4.07Å; I2507-T2509 PolarHBondContact O-N 3.17Å; I2507-T2509 PolarHBondContact O-OG1 3.36Å | ||
| 2508 | I | 38.6 | Very low | 35.7 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | -75.7 | 96 | 168.4 | -55.8 | 177.3 | 0 | 0 | 0 | 108.1 | L2506 | L2506-I2508 HydrophobicContact CD2-CD1 4.31Å; L2506-I2508 HydrophobicContact CD2-CG1 4.28Å; L2506-I2508 HydrophobicContact CG-CG1 4.28Å; L2506-I2508 PolarHBondContact O-N 2.98Å | ||
| 2509 | T | 37.2 | Very low | 35.8 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 53% | 0.534 | 74% | 0.739 | S | S | . | * | trans | -87.6 | 148.5 | 169.1 | 22.7 | 0 | 0 | 0 | 0 | 110.2 | I2507 K2511 | I2507-T2509 HydrophobicContact CG2-CG2 4.07Å; I2507-T2509 PolarHBondContact O-N 3.17Å; I2507-T2509 PolarHBondContact O-OG1 3.36Å; T2509-K2511 PolarHBondContact O-N 3.15Å | ||
| 2510 | N | 36 | Very low | 35.8 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -67.3 | 124.6 | 177.3 | -78.4 | -8.9 | 0 | 0 | 0 | 110 | A2512 A2513 | N2510-A2512 PolarHBondContact O-N 3.23Å; N2510-A2512 VanDerWaalsContact O-N 3.1Å; N2510-A2513 WeakPolarHBondContact O-CB 3.34Å; N2510-A2513 PolarHBondContact O-N 3.13Å | ||
| 2511 | K | 37.2 | Very low | 36.2 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -66.5 | 5.1 | -174.2 | -161.9 | -172 | 177.2 | -168.9 | 0 | 113.7 | T2509 A2513 I2514 | T2509-K2511 PolarHBondContact O-N 3.15Å; K2511-A2513 PolarHBondContact O-N 2.97Å; K2511-A2513 VanDerWaalsContact O-N 3.11Å; K2511-I2514 PolarHBondContact O-N 3.4Å |
| 2512 | A | 37.6 | Very low | 36.3 | Very low | 96.5 Ų | 96.5 | 142.7 Ų | 142.7 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -104.8 | 10.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N2510 | N2510-A2512 PolarHBondContact O-N 3.23Å; N2510-A2512 VanDerWaalsContact O-N 3.1Å |
| 2513 | A | 37.7 | Very low | 36.4 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -124.2 | 11.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | N2510 K2511 | N2510-A2513 WeakPolarHBondContact O-CB 3.34Å; N2510-A2513 PolarHBondContact O-N 3.13Å; K2511-A2513 PolarHBondContact O-N 2.97Å; K2511-A2513 VanDerWaalsContact O-N 3.11Å |
| 2514 | I | 37.9 | Very low | 36.7 | Very low | 116.5 Ų | 116.5 | 146 Ų | 146 | 60% | 0.597 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 19.2 | -176.1 | -55.7 | 176.8 | 0 | 0 | 0 | 110.9 | K2511 Y2516 Q2517 | K2511-I2514 PolarHBondContact O-N 3.4Å; I2514-Y2516 PolarHBondContact O-N 3.14Å; I2514-Q2517 PolarHBondContact O-N 2.85Å |
| 2515 | E | 39.9 | Very low | 36.4 | Very low | 169.5 Ų | 169.5 | 147.6 Ų | 147.6 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -103.3 | 18.9 | 174.7 | -85.5 | 173.9 | 169.6 | 0 | 0 | 111.6 | ||
| 2516 | Y | 36.5 | Very low | 36.6 | Very low | 210.5 Ų | 210.5 | 150.1 Ų | 150.1 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -122.1 | 69.5 | 173.5 | -124.1 | -85.5 | 0 | 0 | 0 | 112.2 | I2514 | I2514-Y2516 PolarHBondContact O-N 3.14Š|
| 2517 | Q | 40.7 | Very low | 36.4 | Very low | 167.5 Ų | 167.5 | 150 Ų | 150 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | 146.4 | 57.9 | -177.7 | -64.8 | -173.6 | -20 | 0 | 0 | 113.8 | I2514 | I2514-Q2517 PolarHBondContact O-N 2.85Š|
| 2518 | Y | 36.2 | Very low | 36.5 | Very low | 217.5 Ų | 217.5 | 150.3 Ų | 150.3 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | -132.7 | 90.8 | 119.3 | -96.4 | -93.5 | 0 | 0 | 0 | 112.7 | |||||
| 2519 | G | 35.1 | Very low | 36.3 | Very low | 70 Ų | 70 | 149.7 Ų | 149.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -22.3 | 33.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 2520 | E | 37 | Very low | 36.2 | Very low | 196.5 Ų | 196.5 | 152.5 Ų | 152.5 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -119.4 | 132.4 | 163 | -68.3 | -163.2 | 138.1 | 0 | 0 | 111.6 | ||
| 2521 | Q | 37.5 | Very low | 36.4 | Very low | 185.5 Ų | 185.5 | 150.7 Ų | 150.7 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -104.2 | 111.4 | -176 | -71 | 177.6 | -3.5 | 0 | 0 | 110.3 | L2523 | Q2521-L2523 PolarHBondContact O-N 3.18Š| ||
| 2522 | S | 33.8 | Very low | 36.4 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -123.1 | 112.6 | 160.4 | -76.3 | 0 | 0 | 0 | 0 | 110.1 | I2524 | S2522-I2524 PolarHBondContact O-N 3.05Å; S2522-I2524 VanDerWaalsContact O-N 3.08Å | ||
| 2523 | L | 34.1 | Very low | 36.3 | Very low | 158.5 Ų | 158.5 | 153.3 Ų | 153.3 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -73.9 | 119.2 | 177.1 | -87.8 | 125.2 | 0 | 0 | 0 | 110.3 | Q2521 | Q2521-L2523 PolarHBondContact O-N 3.18Š| ||
| 2524 | I | 36.5 | Very low | 35.9 | Very low | 160.5 Ų | 160.5 | 154.3 Ų | 154.3 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | -107.6 | 133.2 | 152.1 | -60.5 | -177.9 | 0 | 0 | 0 | 107.9 | S2522 E2526 | S2522-I2524 PolarHBondContact O-N 3.05Å; S2522-I2524 VanDerWaalsContact O-N 3.08Å; I2524-E2526 PolarHBondContact O-N 3.17Å | ||
| 2525 | Y | 30.1 | Very low | 35.8 | Very low | 195 Ų | 195 | 154 Ų | 154 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -82.5 | 118.8 | -177.4 | -147.6 | -96.8 | 0 | 0 | 0 | 110.5 | Q2527 | Y2525-Q2527 HydrophobicContact CD1-CB 4.21Å; Y2525-Q2527 HydrophobicContact CE1-CB 4.45Å | ||
| 2526 | E | 37.3 | Very low | 35.4 | Very low | 190.5 Ų | 190.5 | 153.1 Ų | 153.1 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -132.5 | 132.2 | 161.3 | -162.4 | 164 | -129.3 | 0 | 0 | 109.2 | I2524 | I2524-E2526 PolarHBondContact O-N 3.17Š| ||
| 2527 | Q | 31.6 | Very low | 35.3 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -122 | 112.1 | -160.2 | -179.2 | -175.9 | -5.3 | 0 | 0 | 110.5 | Y2525 D2529 | Y2525-Q2527 HydrophobicContact CD1-CB 4.21Å; Y2525-Q2527 HydrophobicContact CE1-CB 4.45Å; Q2527-D2529 PolarHBondContact NE2-OD2 2.98Å | ||
| 2528 | S | 37.2 | Very low | 35 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -152.1 | 119.1 | 167.7 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2529 | D | 34.2 | Very low | 34.8 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | -16.4 | 104.9 | 129.7 | -63.9 | -62.9 | 0 | 0 | 0 | 113.8 | Q2527 | Q2527-D2529 PolarHBondContact NE2-OD2 2.98Š| |||
| 2530 | V | 37.1 | Very low | 34.7 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -137.4 | 123.4 | 137.9 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2531 | T | 40 | Very low | 34.4 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | -93.1 | 150.8 | 178.7 | 52 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2532 | K | 36.7 | Very low | 34.1 | Very low | 185.5 Ų | 185.5 | 135.5 Ų | 135.5 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | 132.4 | 151.1 | 139.1 | -76.6 | 143.7 | -175.9 | 167 | 0 | 115.6 | ||||
| 2533 | L | 34.6 | Very low | 34 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 36.7 | 117.3 | 164.2 | -62.2 | 125 | 0 | 0 | 0 | 114.8 | ||||
| 2534 | S | 30.8 | Very low | 33.7 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | 128.9 | 149.1 | 18.7 | -128.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 2535 | T | 34.6 | Very low | 33.4 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | 141.3 | 144.2 | 83.1 | -68.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 2536 | L | 32.7 | Very low | 33.5 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 66.3 | 140.4 | 167.5 | -80.7 | 102.3 | 0 | 0 | 0 | 116 | ||||
| 2537 | I | 34.5 | Very low | 33.2 | Very low | 136.5 Ų | 136.5 | 128.4 Ų | 128.4 | 70% | 0.7 | 74% | 0.739 | S | S | * | * | cis | -146.2 | 130.8 | 0.3 | -114.2 | 148.4 | 0 | 0 | 0 | 109.6 | ||||
| 2538 | T | 33.4 | Very low | 33.2 | Very low | 112.5 Ų | 112.5 | 129.8 Ų | 129.8 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | 50 | 121.2 | 121.9 | -33.4 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 2539 | T | 32.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | 123.2 | 147.3 | 63.8 | -12.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2540 | A | 33.1 | Very low | 33.1 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | -64.5 | 154 | 75 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2541 | S | 30.1 | Very low | 33.1 | Very low | 116.5 Ų | 116.5 | 132.1 Ų | 132.1 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | S | Bend | cis | 132.4 | 147.6 | 39 | -67 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2542 | S | 31 | Very low | 32.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | 141 | 134.8 | 85.3 | -164.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 2543 | T | 31.1 | Very low | 32.7 | Very low | 114.5 Ų | 114.5 | 132 Ų | 132 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | 1.3 | 123.8 | 150.4 | 43.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2544 | L | 28.9 | Very low | 32.7 | Very low | 151.5 Ų | 151.5 | 134.1 Ų | 134.1 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | 117.8 | 125.2 | 101.5 | -90.5 | 118.6 | 0 | 0 | 0 | 112.5 | |||||
| 2545 | I | 30.6 | Very low | 32.8 | Very low | 150.5 Ų | 150.5 | 137.7 Ų | 137.7 | 77% | 0.772 | 75% | 0.747 | S | S | * | * | 144.2 | 161.8 | 80.5 | -55.2 | 168 | 0 | 0 | 0 | 114.4 | |||||
| 2546 | M | 30.9 | Very low | 32.8 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -6.4 | 139.4 | 177.6 | -63 | -111 | -1.5 | 0 | 0 | 114.1 | ||||
| 2547 | T | 30.8 | Very low | 32.8 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | 78.8 | 120.3 | 116.7 | 50.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 2548 | E | 32.7 | Very low | 32.8 | Very low | 175.5 Ų | 175.5 | 138.3 Ų | 138.3 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | trans | 52.4 | 113.3 | 133.4 | -59.6 | 172.9 | 150.7 | 0 | 0 | 119.5 | ||||
| 2549 | S | 34.3 | Very low | 33 | Very low | 125.5 Ų | 125.5 | 139 Ų | 139 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | -165.8 | 140.6 | 115.7 | -81.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2550 | E | 34 | Very low | 32.9 | Very low | 151.5 Ų | 151.5 | 139.2 Ų | 139.2 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -83.7 | 144.2 | -179.3 | -68.5 | -166 | 101.8 | 0 | 0 | 113.4 | K2305 | K2305-E2550 IonicContact NZ-OE1 2.79Å; K2305-E2550 PolarHBondContact NZ-OE1 3.15Å | ||
| 2551 | Q | 38.3 | Very low | 33.1 | Very low | 158.5 Ų | 158.5 | 139.5 Ų | 139.5 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | 133.2 | 127.4 | 148.3 | -88.5 | 156.7 | 68.2 | 0 | 0 | 111.6 | ||||
| 2552 | Q | 35 | Very low | 33.2 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | cis | 125.2 | 153.1 | 34.4 | -97.4 | -174.6 | 16.4 | 0 | 0 | 113 | ||||
| 2553 | I | 32.5 | Very low | 33.3 | Very low | 131.5 Ų | 131.5 | 140 Ų | 140 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | trans | 88.3 | 102.1 | 150.8 | -72.8 | 162.7 | 0 | 0 | 0 | 120.3 | ||||
| 2554 | Y | 34.7 | Very low | 33.5 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | 78.8 | 125 | 137.4 | -78 | -118 | 0 | 0 | 0 | 123.6 | ||||
| 2555 | Q | 34.1 | Very low | 33.8 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -15.4 | 147.4 | 139 | -62.2 | 168.8 | -2 | 0 | 0 | 116.2 | ||||
| 2556 | S | 32.9 | Very low | 34 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | -176.1 | 159.1 | 59.7 | -177.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 2557 | T | 34.4 | Very low | 34.3 | Very low | 127.5 Ų | 127.5 | 137.9 Ų | 137.9 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | 73.8 | 124.1 | 154.7 | 5.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2558 | H | 33.1 | Very low | 34.7 | Very low | 182.5 Ų | 182.5 | 139.9 Ų | 139.9 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -81.9 | 159.8 | 162.4 | -59.6 | -83.9 | 0 | 0 | 0 | 112.2 | ||||
| 2559 | P | 38.1 | Very low | 34.7 | Very low | 126.5 Ų | 126.5 | 138.3 Ų | 138.3 | 82% | 0.821 | 74% | 0.743 | S | S | * | * | -136.3 | 148.3 | 125.1 | 36.9 | -21.5 | 0 | 0 | 0 | 114.5 | |||||
| 2560 | T | 31.3 | Very low | 34.7 | Very low | 129.5 Ų | 129.5 | 137 Ų | 137 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -78.1 | 170.7 | 163.8 | 17.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2561 | P | 35.7 | Very low | 34.6 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 58% | 0.578 | 74% | 0.743 | S | S | * | * | cis | -147.8 | 176.7 | 5.7 | 40.7 | -21.6 | 0 | 0 | 0 | 117.3 | D1986 L1987 | D1986-P2561 WeakPolarHBondContact OD1-CB 3.45Å; L1987-P2561 HydrophobicContact CD1-CB 3.28Å; L1987-P2561 HydrophobicContact CD1-CG 3.37Å | ||
| 2562 | S | 32.4 | Very low | 34.2 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 57% | 0.566 | 75% | 0.745 | S | S | * | * | trans | 97.2 | 146.2 | 142 | -0.9 | 0 | 0 | 0 | 0 | 123.2 | D1986 | D1986-S2562 VanDerWaalsContact OD2-C 3.29Å; D1986-S2562 VanDerWaalsContact OD2-CA 3.24Å; D1986-S2562 WeakPolarHBondContact OD2-CA 3.33Å; D1986-S2562 PolarHBondContact OD2-N 2.81Å | ||
| 2563 | H | 34 | Very low | 34.2 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | 11.5 | 136.9 | 167.6 | -54.2 | -56.8 | 0 | 0 | 0 | 120.2 | L1987 | L1987-H2563 WeakPolarHBondContact CB-CE1 3.39Å; L1987-H2563 WeakPolarHBondContact CB-NE2 3.49Å; L1987-H2563 HydrophobicContact CD2-CB 4.42Å; L1987-H2563 WeakPolarHBondContact CD2-CD2 3.09Å | ||
| 2564 | S | 34.2 | Very low | 34 | Very low | 104.5 Ų | 104.5 | 136.3 Ų | 136.3 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | 107.5 | 134.6 | 112.3 | 120.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 2565 | I | 35.4 | Very low | 34 | Very low | 157.5 Ų | 157.5 | 134.8 Ų | 134.8 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | 140.2 | 144.9 | 134.4 | -89.5 | 157 | 0 | 0 | 0 | 117.8 | ||||
| 2566 | E | 34.5 | Very low | 33.9 | Very low | 164.5 Ų | 164.5 | 131.8 Ų | 131.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -29.6 | 168.6 | 172.5 | -97 | -175.8 | 130.7 | 0 | 0 | 117.5 | N2568 | E2566-N2568 PolarHBondContact O-N 2.85Š| ||
| 2567 | P | 37.2 | Very low | 34.1 | Very low | 103.5 Ų | 103.5 | 134.1 Ų | 134.1 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | -107.6 | 148.3 | -107.9 | 29.7 | -15.5 | 0 | 0 | 0 | 112.5 | I2569 | P2567-I2569 PolarHBondContact O-N 2.93Š| |||
| 2568 | N | 39.7 | Very low | 34 | Very low | 142.5 Ų | 142.5 | 133 Ų | 133 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -159.9 | 122.3 | 158 | -110.4 | -28.9 | 0 | 0 | 0 | 117.4 | E2566 A2570 | E2566-N2568 PolarHBondContact O-N 2.85Å; N2568-A2570 PolarHBondContact O-N 2.05Å | ||
| 2569 | I | 33.6 | Very low | 34 | Very low | 142.5 Ų | 142.5 | 131.3 Ų | 131.3 | 73% | 0.731 | 74% | 0.737 | S | S | * | * | trans | -5 | 93.3 | 161.4 | -59.4 | 169.3 | 0 | 0 | 0 | 115.1 | P2567 K2571 | P2567-I2569 PolarHBondContact O-N 2.93Å; I2569-K2571 HydrophobicContact CG2-CG 4.48Å; I2569-K2571 PolarHBondContact O-N 3.11Å | ||
| 2570 | A | 32.4 | Very low | 33.9 | Very low | 96.5 Ų | 96.5 | 132.3 Ų | 132.3 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | trans | -6.1 | 129.4 | 134.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | N2568 | N2568-A2570 PolarHBondContact O-N 2.05Š| ||
| 2571 | K | 31.9 | Very low | 34 | Very low | 180.5 Ų | 180.5 | 133.6 Ų | 133.6 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 9.9 | 121.6 | 163.7 | -73.1 | -172.9 | 174.9 | -179.4 | 0 | 116.1 | I2569 | I2569-K2571 HydrophobicContact CG2-CG 4.48Å; I2569-K2571 PolarHBondContact O-N 3.11Å | ||
| 2572 | C | 30 | Very low | 34.3 | Very low | 114.5 Ų | 114.5 | 136.1 Ų | 136.1 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | trans | 164.6 | 145.1 | 131.4 | -73.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2573 | N | 36.8 | Very low | 34.4 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -3.2 | 126.3 | 177.3 | -51.9 | -37.1 | 0 | 0 | 0 | 111.5 | ||||
| 2574 | L | 28.2 | Very low | 34.7 | Very low | 144.5 Ų | 144.5 | 137.8 Ų | 137.8 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | 67.4 | 118.8 | 57.4 | -165.2 | 89.4 | 0 | 0 | 0 | 112.1 | V2576 | L2574-V2576 HydrophobicContact CD1-CG2 3.72Å; L2574-V2576 HydrophobicContact CG-CG2 4.39Å | |||
| 2575 | E | 34.8 | Very low | 34.7 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 149.9 | 110.4 | 164.7 | -118.7 | 151 | -137.8 | 0 | 0 | 110.5 | ||||
| 2576 | V | 31.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | -20 | 105.2 | 113.7 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | L2574 S2578 | L2574-V2576 HydrophobicContact CD1-CG2 3.72Å; L2574-V2576 HydrophobicContact CG-CG2 4.39Å; V2576-S2578 PolarHBondContact O-N 2.93Å | |||
| 2577 | I | 35.4 | Very low | 34.6 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -120 | 125.6 | 146.2 | -77.1 | 163.6 | 0 | 0 | 0 | 107.4 | E2579 | I2577-E2579 HydrophobicContact CG2-CB 4.26Š| ||
| 2578 | S | 32.7 | Very low | 34.3 | Very low | 104.5 Ų | 104.5 | 135 Ų | 135 | 73% | 0.731 | 74% | 0.741 | S | S | * | * | trans | -111.7 | 118.4 | 178.2 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | V2576 | V2576-S2578 PolarHBondContact O-N 2.93Š| ||
| 2579 | E | 34 | Very low | 34.1 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | trans | -160.5 | 130.7 | 179.9 | -151.5 | 160.6 | -163.5 | 0 | 0 | 109.3 | I2577 | I2577-E2579 HydrophobicContact CG2-CB 4.26Š| ||
| 2580 | K | 36.1 | Very low | 34.2 | Very low | 148.5 Ų | 148.5 | 133.2 Ų | 133.2 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | cis | -155.5 | 145.4 | -20.7 | -106.1 | 162.7 | -155 | 156.1 | 0 | 105.2 | ||||
| 2581 | Q | 33.8 | Very low | 34.4 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | 53.9 | 132.5 | 117.9 | -76.2 | -175.6 | -58.9 | 0 | 0 | 116 | |||||
| 2582 | D | 41 | Very low | 34.8 | Very low | 142.5 Ų | 142.5 | 134 Ų | 134 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | -141.5 | 128.1 | 63.1 | -84.1 | -45.5 | 0 | 0 | 0 | 106.8 | |||||
| 2583 | N | 34.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | cis | 67.5 | 69.9 | 30.9 | -171.9 | 74.3 | 0 | 0 | 0 | 114.9 | ||||
| 2584 | D | 41.2 | Very low | 35 | Very low | 155.5 Ų | 155.5 | 131.9 Ų | 131.9 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -129.2 | 129.1 | 149.2 | -111.4 | -34.5 | 0 | 0 | 0 | 108.1 | ||||
| 2585 | Q | 33 | Very low | 35.5 | Very low | 141 Ų | 141 | 131 Ų | 131 | 66% | 0.659 | 71% | 0.713 | S | S | * | * | -25.7 | 125.5 | 121.1 | -59.4 | -171.9 | 14.4 | 0 | 0 | 110.4 | |||||
| 2586 | S | 35.1 | Very low | 35.6 | Very low | 111.5 Ų | 111.5 | 129.9 Ų | 129.9 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | -158.8 | 129.7 | 92.7 | -82.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 2587 | S | 32.4 | Very low | 35.7 | Very low | 104.5 Ų | 104.5 | 131.3 Ų | 131.3 | 73% | 0.731 | 71% | 0.706 | S | S | * | * | 71.5 | 107.7 | 53.3 | -50.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 2588 | S | 32.3 | Very low | 35.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | trans | 125.6 | 129.2 | 156.9 | -143.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2589 | S | 34.4 | Very low | 35.8 | Very low | 90.5 Ų | 90.5 | 134.3 Ų | 134.3 | 63% | 0.633 | 70% | 0.703 | S | S | * | * | cis | 144.9 | 153.3 | 33.3 | -154.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2590 | Q | 36.4 | Very low | 36 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | 71.2 | 129.7 | 164.1 | -66 | 173.4 | -2.6 | 0 | 0 | 116.3 | ||||
| 2591 | H | 35.8 | Very low | 35.8 | Very low | 157.5 Ų | 157.5 | 131.6 Ų | 131.6 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | cis | 136.2 | 143.2 | 36.2 | -93.2 | -157.5 | 0 | 0 | 0 | 109 | ||||
| 2592 | L | 40.2 | Very low | 35.8 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | cis | -145.9 | 149.7 | 8.8 | -103 | 157.1 | 0 | 0 | 0 | 109.5 | ||||
| 2593 | S | 37.9 | Very low | 35.4 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 59% | 0.587 | 71% | 0.712 | S | S | * | * | 45.8 | 135.8 | 110.8 | 93.1 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 2594 | N | 34.8 | Very low | 35.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | 122.4 | 170.3 | 58.4 | -95.1 | 51.2 | 0 | 0 | 0 | 113.5 | |||||
| 2595 | D | 37.3 | Very low | 35 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | 126.3 | 165.3 | 64.5 | -75.2 | -26.2 | 0 | 0 | 0 | 112.1 | |||||
| 2596 | E | 38 | Very low | 34.8 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | 140.8 | 134.4 | -109.7 | -101 | -175.9 | -159.6 | 0 | 0 | 114 | K2598 | E2596-K2598 IonicContact OE2-NZ 3.28Å; E2596-K2598 PolarHBondContact OE2-NZ 2.86Å | |||
| 2597 | E | 33.5 | Very low | 34.8 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | 17.7 | 137.5 | 114.9 | -167.1 | -159.8 | -162.2 | 0 | 0 | 114.4 | Q2599 | E2597-Q2599 HydrophobicContact CG-CG 4.29Å; E2597-Q2599 PolarHBondContact OE1-NE2 2.68Å | |||
| 2598 | K | 39 | Very low | 34.7 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | trans | 142.5 | 117.1 | 153.4 | -70.2 | 144.9 | -158.2 | 109.8 | 0 | 112.4 | E2596 | E2596-K2598 IonicContact OE2-NZ 3.28Å; E2596-K2598 PolarHBondContact OE2-NZ 2.86Å | ||
| 2599 | Q | 31.4 | Very low | 34.7 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | 5.1 | 107.6 | 108.4 | -57.1 | -179.3 | 33.5 | 0 | 0 | 111.8 | E2597 | E2597-Q2599 HydrophobicContact CG-CG 4.29Å; E2597-Q2599 PolarHBondContact OE1-NE2 2.68Å | |||
| 2600 | L | 37.4 | Very low | 34.6 | Very low | 162.5 Ų | 162.5 | 139.3 Ų | 139.3 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | trans | -178.2 | 96 | 149.5 | -101.3 | 155.6 | 0 | 0 | 0 | 110.1 | ||||
| 2601 | A | 33 | Very low | 34.7 | Very low | 77 Ų | 77 | 139 Ų | 139 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | 52 | 137 | 119.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 2602 | I | 32.4 | Very low | 34.6 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | trans | 94.5 | 123.6 | 135.6 | -76.6 | 161.3 | 0 | 0 | 0 | 120.4 | ||||
| 2603 | K | 33.9 | Very low | 34.3 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | 82.2 | 102.9 | 151.3 | -88.9 | 168.8 | -177.9 | 175.7 | 0 | 122.1 | ||||
| 2604 | N | 31.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | 46.1 | 121.3 | 110 | -52.7 | 16.4 | 0 | 0 | 0 | 119.4 | |||||
| 2605 | Q | 34.5 | Very low | 34.1 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 96% | 0.963 | 73% | 0.728 | S | S | * | * | -151.6 | 135.2 | 110 | -114.7 | 148.7 | 109.6 | 0 | 0 | 113.2 | |||||
| 2606 | S | 29.1 | Very low | 33.8 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | trans | -117.3 | 127.9 | -174.4 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2607 | S | 34.5 | Very low | 33.5 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | -158.5 | 113.7 | 155.6 | -171.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2608 | S | 30.5 | Very low | 33.4 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 73.2 | 129.2 | 52.2 | 92.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2609 | V | 34.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | trans | 154.3 | 110.1 | 140.4 | 159.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 2610 | Y | 31.6 | Very low | 33.1 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | trans | 68.7 | 163.6 | 144.7 | -68.4 | -153.3 | 0 | 0 | 0 | 117.1 | ||||
| 2611 | E | 38.6 | Very low | 33.2 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | -145.3 | 121.5 | 3.5 | -130.8 | 155 | -167.4 | 0 | 0 | 107.3 | ||||
| 2612 | N | 32.5 | Very low | 33.3 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | 74.4 | 148.6 | 89.6 | -67.9 | -33.3 | 0 | 0 | 0 | 117.6 | |||||
| 2613 | L | 35.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 72 | 149.3 | 165 | -49.4 | 131.2 | 0 | 0 | 0 | 116.1 | ||||
| 2614 | N | 36.1 | Very low | 33.5 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | cis | -152.8 | 140.1 | -18.9 | -109.9 | 0.1 | 0 | 0 | 0 | 107.7 | ||||
| 2615 | I | 31.1 | Very low | 33.7 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | 65.8 | 135 | 79.7 | -59.8 | -176.9 | 0 | 0 | 0 | 114.8 | |||||
| 2616 | S | 31.8 | Very low | 33.6 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 73.4 | 113.6 | 159 | 61 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2617 | E | 31.2 | Very low | 33.8 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | 71.5 | 129.7 | 118.7 | -67.6 | -164.1 | 76.1 | 0 | 0 | 123.9 | |||||
| 2618 | N | 30.5 | Very low | 33.7 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | 40.3 | 103.3 | 125.7 | -53.5 | -39.3 | 0 | 0 | 0 | 118.8 | |||||
| 2619 | K | 35.8 | Very low | 33.8 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | -167.8 | 146.4 | 98.5 | -103.6 | 155.8 | -172.4 | 168.7 | 0 | 116.4 | |||||
| 2620 | H | 29.9 | Very low | 33.6 | Very low | 153 Ų | 153 | 149 Ų | 149 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -56.4 | 136.8 | 157.1 | -158.6 | -75.5 | 0 | 0 | 0 | 110.8 | E2622 | H2620-E2622 IonicContact CE1-OE2 3.85Š| ||
| 2621 | I | 38.7 | Very low | 33.6 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -160.7 | 145 | 150.2 | -101.7 | 149.7 | 0 | 0 | 0 | 107 | ||||
| 2622 | E | 35 | Very low | 33.2 | Very low | 148 Ų | 148 | 144 Ų | 144 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -95.7 | -164.1 | -176.7 | -67.6 | 164.1 | 89 | 0 | 0 | 110.7 | H2620 | H2620-E2622 IonicContact CE1-OE2 3.85Š| ||
| 2623 | E | 36 | Very low | 33.2 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 74.8 | 148.4 | 168 | -54.9 | -167.6 | 131.1 | 0 | 0 | 116.7 | ||||
| 2624 | S | 34.7 | Very low | 32.9 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -178.9 | 168 | -28.3 | -101.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 2625 | Q | 36 | Very low | 32.7 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 63.2 | 99.1 | 164.1 | -65.5 | 159.7 | 43.6 | 0 | 0 | 115.5 | ||||
| 2626 | S | 31.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | 68.7 | 109.1 | 76.4 | 75.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2627 | I | 34.4 | Very low | 32.6 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -150.3 | 148.1 | 159.1 | -102.9 | 155 | 0 | 0 | 0 | 108.1 | ||||
| 2628 | Q | 31.5 | Very low | 32.7 | Very low | 175 Ų | 175 | 152.8 Ų | 152.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 155.7 | 175.8 | -59.8 | 156.9 | -54 | 0 | 0 | 110.7 | ||||
| 2629 | L | 33.1 | Very low | 32.8 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | 177.8 | 151.4 | 116 | -95.3 | 163.3 | 0 | 0 | 0 | 112.5 | |||||
| 2630 | T | 30.2 | Very low | 32.3 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -81.6 | 143.5 | 174.7 | -24.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2631 | G | 31.9 | Very low | 32.2 | Very low | 72 Ų | 72 | 154 Ų | 154 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 168 | 129.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2632 | D | 29.5 | Very low | 31.9 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -59.1 | 136.9 | -172.2 | -52 | -62.3 | 0 | 0 | 0 | 115.3 | ||||
| 2633 | K | 32.6 | Very low | 31.5 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -166.5 | 118 | 140.9 | -111.6 | 154.6 | -171.6 | 169 | 0 | 112.9 | ||||
| 2634 | A | 28.5 | Very low | 31.1 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -74.1 | 131 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2635 | M | 33.7 | Very low | 30.7 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -140 | 121.9 | 173.8 | -87.2 | -65.6 | -157.3 | 0 | 0 | 110 | ||||
| 2636 | N | 27.7 | Very low | 30.4 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -76.4 | 142.6 | 170.8 | -71.4 | -65 | 0 | 0 | 0 | 110.4 | ||||
| 2637 | Y | 33.3 | Very low | 30.3 | Very low | 211 Ų | 211 | 154.8 Ų | 154.8 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -153.1 | 129.8 | 154.9 | -100.1 | -65.2 | 0 | 0 | 0 | 114.1 | ||||
| 2638 | L | 32.5 | Very low | 29.9 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 58.2 | 70.2 | 151 | -73.8 | 158.1 | 0 | 0 | 0 | 120.3 | ||||
| 2639 | Q | 32.4 | Very low | 29.8 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | -2.1 | 122.6 | 125.3 | -173.1 | 176.7 | 12.4 | 0 | 0 | 117.4 | H2641 | Q2639-H2641 PolarHBondContact NE2-CD2 3.1Å; Q2639-H2641 PolarHBondContact NE2-NE2 3.08Å | |||
| 2640 | F | 26.3 | Very low | 29.6 | Very low | 214 Ų | 214 | 150 Ų | 150 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -112.7 | 142.5 | 154.5 | -102.9 | -92.9 | 0 | 0 | 0 | 109 | ||||
| 2641 | H | 26.2 | Very low | 29.6 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | -114.2 | 126.1 | -178.5 | -110.6 | -77.8 | 0 | 0 | 0 | 111.3 | Q2639 | Q2639-H2641 PolarHBondContact NE2-CD2 3.1Å; Q2639-H2641 PolarHBondContact NE2-NE2 3.08Å | ||
| 2642 | Q | 32.3 | Very low | 29.4 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | 169.7 | 158.9 | 124.6 | -91.6 | 173.8 | 7 | 0 | 0 | 112.3 | |||||
| 2643 | H | 27.2 | Very low | 29.5 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 73% | 0.731 | 77% | 0.765 | S | S | * | * | trans | -44 | 161.9 | -171.7 | -42.4 | -61.5 | 0 | 0 | 0 | 116.6 | ||||
| 2644 | V | 28.2 | Very low | 29.5 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | cis | -145 | 155 | 35.8 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2645 | H | 25.6 | Very low | 29.9 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -65.8 | 147.7 | 178.7 | -58.7 | -103.4 | 0 | 0 | 0 | 114.4 | ||||
| 2646 | P | 29.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | -109.2 | 124.3 | 128.7 | 32.5 | -27.7 | 0 | 0 | 0 | 109.7 | L2648 | P2646-L2648 VanDerWaalsContact C-N 3.31Å; P2646-L2648 PolarHBondContact O-N 3.22Å | |||
| 2647 | L | 28.6 | Very low | 30.4 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -72.3 | 89.9 | 167.5 | -94.4 | 167 | 0 | 0 | 0 | 109 | I2649 | L2647-I2649 PolarHBondContact O-N 2.79Š| ||
| 2648 | L | 27.5 | Very low | 30.8 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -65.6 | 88.8 | 156.1 | -88.5 | 167 | 0 | 0 | 0 | 107.6 | P2646 I2650 | P2646-L2648 VanDerWaalsContact C-N 3.31Å; P2646-L2648 PolarHBondContact O-N 3.22Å; L2648-I2650 PolarHBondContact O-N 3.18Å | ||
| 2649 | I | 29.1 | Very low | 31.1 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | -67 | 89.8 | 159.3 | -57.5 | 179.5 | 0 | 0 | 0 | 105.7 | L2647 L2651 | L2647-I2649 PolarHBondContact O-N 2.79Å; I2649-L2651 HydrophobicContact CG2-CG 4.24Å; I2649-L2651 PolarHBondContact O-N 3.13Å | ||
| 2650 | I | 29 | Very low | 31.7 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | trans | -65 | 92.5 | 157 | -59.5 | 175.7 | 0 | 0 | 0 | 104.4 | L2648 S2652 | L2648-I2650 PolarHBondContact O-N 3.18Å; I2650-S2652 PolarHBondContact O-N 3.02Å | ||
| 2651 | L | 29.6 | Very low | 33.2 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | trans | -59.3 | 102.4 | 153.1 | -85.1 | 165.4 | 0 | 0 | 0 | 104.8 | I2649 H2653 | I2649-L2651 HydrophobicContact CG2-CG 4.24Å; I2649-L2651 PolarHBondContact O-N 3.13Å; L2651-H2653 PolarHBondContact O-N 2.98Å | ||
| 2652 | S | 28.7 | Very low | 34.3 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | -45.6 | 137.5 | 169.1 | -59.3 | 0 | 0 | 0 | 0 | 108.2 | I2650 V2654 | I2650-S2652 PolarHBondContact O-N 3.02Å; S2652-V2654 PolarHBondContact O-N 3.42Å | ||
| 2653 | H | 29.9 | Very low | 35.7 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -59 | 109.2 | 168.3 | -82.8 | -120.8 | 0 | 0 | 0 | 107 | L2651 T2655 | L2651-H2653 PolarHBondContact O-N 2.98Å; H2653-T2655 HydrophobicContact CB-CG2 4.39Å; H2653-T2655 PolarHBondContact O-N 2.86Å | ||
| 2654 | V | 32.8 | Very low | 37.7 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.655 | 68% | 0.68 | S | S | * | * | trans | -70.7 | 81.3 | 165.7 | -177.8 | 0 | 0 | 0 | 0 | 105.6 | S2652 | S2652-V2654 PolarHBondContact O-N 3.42Š| ||
| 2655 | T | 36.9 | Very low | 39 | Very low | 99 Ų | 99 | 126 Ų | 126 | 61% | 0.607 | 67% | 0.669 | S | S | * | * | trans | -64 | 129.8 | 166.4 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | H2653 R2657 | H2653-T2655 HydrophobicContact CB-CG2 4.39Å; H2653-T2655 PolarHBondContact O-N 2.86Å; T2655-R2657 PolarHBondContact O-N 3.19Å | ||
| 2656 | D | 33.6 | Very low | 41.1 | Very low | 155 Ų | 155 | 122.3 Ų | 122.3 | 83% | 0.829 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -55.4 | 100.4 | -170.9 | -58.5 | -88.9 | 0 | 0 | 0 | 112.4 | ||
| 2657 | R | 39.4 | Very low | 43.3 | Very low | 208 Ų | 208 | 123.3 Ų | 123.3 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -147.5 | 108.8 | 170.4 | -74.4 | -168.3 | 168.3 | -171.5 | -6.4 | 107.6 | T2655 D2659 | T2655-R2657 PolarHBondContact O-N 3.19Å; R2657-D2659 PolarHBondContact O-N 2.83Å |
| 2658 | T | 40.8 | Very low | 45.3 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 81% | 0.81 | 64% | 0.638 | S | S | * | * | trans | -1.5 | 86 | 164.2 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | E2660 | T2658-E2660 PolarHBondContact O-N 2.79Š| ||
| 2659 | D | 39.1 | Very low | 47 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 47% | 0.465 | 62% | 0.622 | S | S | . | * | trans | -88.9 | 60 | -169.4 | -155.8 | -5.6 | 0 | 0 | 0 | 110.8 | R2657 S2661 S2662 | R2657-D2659 PolarHBondContact O-N 2.83Å; D2659-S2661 PolarHBondContact O-N 3.17Å; D2659-S2662 WeakPolarHBondContact O-CB 3.49Å; D2659-S2662 PolarHBondContact O-N 3.31Å; D2659-S2662 PolarHBondContact O-OG 3.24Å | ||
| 2660 | E | 46.2 | Very low | 49 | Very low | 156 Ų | 156 | 114.6 Ų | 114.6 | 73% | 0.729 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -52.6 | -25.8 | -179.5 | -62.3 | 178.9 | 148.1 | 0 | 0 | 112.5 | T2658 S2662 D2663 L2664 | T2658-E2660 PolarHBondContact O-N 2.79Å; E2660-S2662 PolarHBondContact O-N 2.97Å; E2660-D2663 PolarHBondContact O-N 3.46Å; E2660-L2664 WeakPolarHBondContact O-CB 3.47Å; E2660-L2664 PolarHBondContact O-N 3.48Å |
| 2661 | S | 57.3 | Low | 51.2 | Low | 67 Ų | 67 | 112 Ų | 112 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -55.8 | -30 | 172.4 | -175 | 0 | 0 | 0 | 0 | 113.2 | D2659 M2665 | D2659-S2661 PolarHBondContact O-N 3.17Å; S2661-M2665 WeakPolarHBondContact O-CE 3.34Å; S2661-M2665 WeakPolarHBondContact O-CG 3.44Å; S2661-M2665 PolarHBondContact O-N 3.4Å |
| 2662 | S | 48.4 | Very low | 53.2 | Low | 54 Ų | 54 | 109.9 Ų | 109.9 | 38% | 0.378 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -77.2 | -47.7 | -177.8 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | D2659 E2660 M2665 V2666 | D2659-S2662 WeakPolarHBondContact O-CB 3.49Å; D2659-S2662 PolarHBondContact O-N 3.31Å; D2659-S2662 PolarHBondContact O-OG 3.24Å; E2660-S2662 PolarHBondContact O-N 2.97Å; S2662-M2665 PolarHBondContact O-N 3.2Å; S2662-V2666 WeakPolarHBondContact O-CG2 3.24Å; S2662-V2666 PolarHBondContact O-N 3.15Å |
| 2663 | D | 61.9 | Low | 54.8 | Low | 119 Ų | 119 | 111 Ų | 111 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.9 | -33.7 | 175 | -75.1 | -33.5 | 0 | 0 | 0 | 112 | E2660 M2665 V2666 K2667 | E2660-D2663 PolarHBondContact O-N 3.46Å; D2663-M2665 PolarHBondContact O-N 2.9Å; D2663-V2666 PolarHBondContact O-N 2.89Å; D2663-K2667 WeakPolarHBondContact O-CB 3.27Å; D2663-K2667 PolarHBondContact O-N 3.46Å |
| 2664 | L | 69.1 | Low | 56.9 | Low | 107 Ų | 107 | 108.4 Ų | 108.4 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62 | -42.5 | 173.4 | -171.3 | 71.1 | 0 | 0 | 0 | 112 | E2660 K2667 Q2668 | E2660-L2664 WeakPolarHBondContact O-CB 3.47Å; E2660-L2664 PolarHBondContact O-N 3.48Å; L2664-K2667 PolarHBondContact O-N 3.21Å; L2664-Q2668 WeakPolarHBondContact O-CG 3.29Å; L2664-Q2668 PolarHBondContact O-N 2.87Å |
| 2665 | M | 55.7 | Low | 58.7 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.7 | -36.3 | 175.5 | -76.3 | -170.4 | -65.4 | 0 | 0 | 112.6 | S2661 S2662 D2663 A2669 | S2661-M2665 WeakPolarHBondContact O-CE 3.34Å; S2661-M2665 WeakPolarHBondContact O-CG 3.44Å; S2661-M2665 PolarHBondContact O-N 3.4Å; S2662-M2665 PolarHBondContact O-N 3.2Å; D2663-M2665 PolarHBondContact O-N 2.9Å; M2665-A2669 WeakPolarHBondContact O-CB 3.28Å; M2665-A2669 PolarHBondContact O-N 3.4Å; M2665-A2669 VanDerWaalsContact O-N 3.09Å |
| 2666 | V | 69.2 | Low | 59.8 | Low | 83 Ų | 83 | 107.1 Ų | 107.1 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -42 | 173.6 | 171 | 0 | 0 | 0 | 0 | 110.6 | S2662 D2663 A2669 I2670 | S2662-V2666 WeakPolarHBondContact O-CG2 3.24Å; S2662-V2666 PolarHBondContact O-N 3.15Å; D2663-V2666 PolarHBondContact O-N 2.89Å; V2666-A2669 PolarHBondContact O-N 2.81Å; V2666-I2670 HydrophobicContact CG1-CD1 4.04Å; V2666-I2670 WeakPolarHBondContact O-CG1 3.36Å; V2666-I2670 PolarHBondContact O-N 2.85Å; V2666-I2670 VanDerWaalsContact O-N 3.08Å |
| 2667 | K | 76.4 | Confident | 61.2 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.2 | -48.8 | 178.1 | -168.3 | 171.2 | -179.5 | 179 | 0 | 111.8 | D2663 L2664 A2669 I2670 D2671 | D2663-K2667 WeakPolarHBondContact O-CB 3.27Å; D2663-K2667 PolarHBondContact O-N 3.46Å; L2664-K2667 PolarHBondContact O-N 3.21Å; K2667-A2669 PolarHBondContact O-N 3.12Å; K2667-I2670 CarbonylContact O-C 3.55Å; K2667-I2670 WeakPolarHBondContact O-CA 3.11Å; K2667-I2670 WeakPolarHBondContact O-CB 3.08Å; K2667-I2670 PolarHBondContact O-N 3.18Å; K2667-D2671 PolarHBondContact O-N 3.1Å |
| 2668 | Q | 71 | Confident | 62.2 | Low | 113 Ų | 113 | 96 Ų | 96 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.1 | -33.9 | 173.7 | -75.8 | -174.2 | -16.1 | 0 | 0 | 113.1 | L2664 L2672 | L2664-Q2668 WeakPolarHBondContact O-CG 3.29Å; L2664-Q2668 PolarHBondContact O-N 2.87Å; Q2668-L2672 WeakPolarHBondContact O-CB 3.02Å; Q2668-L2672 WeakPolarHBondContact O-CD1 3.26Å; Q2668-L2672 VanDerWaalsContact O-CG 3.27Å; Q2668-L2672 WeakPolarHBondContact O-CG 3.42Å; Q2668-L2672 PolarHBondContact O-N 3.25Å; Q2668-L2672 VanDerWaalsContact O-N 3.08Å |
| 2669 | A | 62.4 | Low | 63.1 | Low | 52 Ų | 52 | 95.9 Ų | 95.9 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.1 | -26.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M2665 V2666 K2667 L2673 | M2665-A2669 WeakPolarHBondContact O-CB 3.28Å; M2665-A2669 PolarHBondContact O-N 3.4Å; M2665-A2669 VanDerWaalsContact O-N 3.09Å; V2666-A2669 PolarHBondContact O-N 2.81Å; K2667-A2669 PolarHBondContact O-N 3.12Å; A2669-L2673 WeakPolarHBondContact O-CD1 3.43Å; A2669-L2673 VanDerWaalsContact O-CG 3.28Å; A2669-L2673 WeakPolarHBondContact O-CG 3.42Å |
| 2670 | I | 72.4 | Confident | 63.6 | Low | 85 Ų | 85 | 94.5 Ų | 94.5 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -77.2 | -49.2 | 171.8 | -66.8 | 164.1 | 0 | 0 | 0 | 109.7 | V2666 K2667 L2672 L2673 D2674 | V2666-I2670 HydrophobicContact CG1-CD1 4.04Å; V2666-I2670 WeakPolarHBondContact O-CG1 3.36Å; V2666-I2670 PolarHBondContact O-N 2.85Å; V2666-I2670 VanDerWaalsContact O-N 3.08Å; K2667-I2670 CarbonylContact O-C 3.55Å; K2667-I2670 WeakPolarHBondContact O-CA 3.11Å; K2667-I2670 WeakPolarHBondContact O-CB 3.08Å; K2667-I2670 PolarHBondContact O-N 3.18Å; I2670-L2672 VanDerWaalsContact C-N 3.25Å; I2670-L2672 PolarHBondContact O-N 3.37Å; I2670-L2673 WeakPolarHBondContact O-CA 3.36Å; I2670-L2673 WeakPolarHBondContact O-CB 3.35Å; I2670-L2673 PolarHBondContact O-N 3.19Å; I2670-D2674 PolarHBondContact O-N 3.24Å |
| 2671 | D | 74.2 | Confident | 63.7 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.6 | -40.6 | 179.7 | -56.7 | -28.3 | 0 | 0 | 0 | 111.4 | K2667 E2675 | K2667-D2671 PolarHBondContact O-N 3.1Å; D2671-E2675 WeakPolarHBondContact O-CB 3.49Å; D2671-E2675 PolarHBondContact O-N 3.24Å |
| 2672 | L | 71.7 | Confident | 62.9 | Low | 104 Ų | 104 | 95.8 Ų | 95.8 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.1 | -26.7 | 174.9 | -76.3 | 170.1 | 0 | 0 | 0 | 114.2 | Q2668 I2670 V2676 | Q2668-L2672 WeakPolarHBondContact O-CB 3.02Å; Q2668-L2672 WeakPolarHBondContact O-CD1 3.26Å; Q2668-L2672 VanDerWaalsContact O-CG 3.27Å; Q2668-L2672 WeakPolarHBondContact O-CG 3.42Å; Q2668-L2672 PolarHBondContact O-N 3.25Å; Q2668-L2672 VanDerWaalsContact O-N 3.08Å; I2670-L2672 VanDerWaalsContact C-N 3.25Å; I2670-L2672 PolarHBondContact O-N 3.37Å; L2672-V2676 VanDerWaalsContact O-CG2 3.3Å; L2672-V2676 WeakPolarHBondContact O-CG2 3.29Å; L2672-V2676 PolarHBondContact O-N 3.39Å |
| 2673 | L | 63.5 | Low | 62.5 | Low | 116 Ų | 116 | 99.1 Ų | 99.1 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.8 | -42.5 | 174 | -75.7 | 169.2 | 0 | 0 | 0 | 110.5 | A2669 I2670 V2676 V2677 | A2669-L2673 WeakPolarHBondContact O-CD1 3.43Å; A2669-L2673 VanDerWaalsContact O-CG 3.28Å; A2669-L2673 WeakPolarHBondContact O-CG 3.42Å; I2670-L2673 WeakPolarHBondContact O-CA 3.36Å; I2670-L2673 WeakPolarHBondContact O-CB 3.35Å; I2670-L2673 PolarHBondContact O-N 3.19Å; L2673-V2676 PolarHBondContact O-N 3.02Å; L2673-V2677 WeakPolarHBondContact O-CG2 3.49Å; L2673-V2677 PolarHBondContact O-N 3.44Å |
| 2674 | D | 73.8 | Confident | 61.6 | Low | 102 Ų | 102 | 99.9 Ų | 99.9 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 176.7 | -72.9 | -13.5 | 0 | 0 | 0 | 111.5 | I2670 V2676 V2677 A2678 | I2670-D2674 PolarHBondContact O-N 3.24Å; D2674-V2676 VanDerWaalsContact C-N 3.32Å; D2674-V2676 PolarHBondContact O-N 2.86Å; D2674-V2677 PolarHBondContact O-N 3.17Å; D2674-A2678 WeakPolarHBondContact O-CB 3.33Å; D2674-A2678 PolarHBondContact O-N 3.31Å |
| 2675 | E | 69.5 | Low | 60 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 43% | 0.425 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 171.4 | -170.2 | -173.9 | -169.6 | 0 | 0 | 112.2 | D2671 K2679 | D2671-E2675 WeakPolarHBondContact O-CB 3.49Å; D2671-E2675 PolarHBondContact O-N 3.24Å; E2675-K2679 VanDerWaalsContact CD-NZ 3.34Å; E2675-K2679 HydrophobicContact CG-CD 4.27Å; E2675-K2679 WeakPolarHBondContact O-CB 3.35Å; E2675-K2679 WeakPolarHBondContact O-CG 3.18Å; E2675-K2679 PolarHBondContact O-N 2.89Å; E2675-K2679 VanDerWaalsContact OE1-CE 3.29Å; E2675-K2679 WeakPolarHBondContact OE1-CE 3.48Å; E2675-K2679 IonicContact OE1-NZ 2.59Å; E2675-K2679 PolarHBondContact OE1-NZ 2.7Å |
| 2676 | V | 61.3 | Low | 59.3 | Low | 89 Ų | 89 | 101.9 Ų | 101.9 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.8 | -36.6 | 176.7 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | L2672 L2673 D2674 S2680 | L2672-V2676 VanDerWaalsContact O-CG2 3.3Å; L2672-V2676 WeakPolarHBondContact O-CG2 3.29Å; L2672-V2676 PolarHBondContact O-N 3.39Å; L2673-V2676 PolarHBondContact O-N 3.02Å; D2674-V2676 VanDerWaalsContact C-N 3.32Å; D2674-V2676 PolarHBondContact O-N 2.86Å; V2676-S2680 VanDerWaalsContact O-CB 3.32Å; V2676-S2680 WeakPolarHBondContact O-CB 3.28Å; V2676-S2680 PolarHBondContact O-N 3.18Å; V2676-S2680 PolarHBondContact O-OG 3Å |
| 2677 | V | 62.9 | Low | 57.9 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 53% | 0.527 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.5 | -44.4 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111 | L2673 D2674 S2680 T2681 | L2673-V2677 WeakPolarHBondContact O-CG2 3.49Å; L2673-V2677 PolarHBondContact O-N 3.44Å; D2674-V2677 PolarHBondContact O-N 3.17Å; V2677-S2680 WeakPolarHBondContact O-CB 3.19Å; V2677-S2680 PolarHBondContact O-N 3.18Å; V2677-S2680 VanDerWaalsContact O-N 3.13Å; V2677-T2681 PolarHBondContact O-N 3.34Å; V2677-T2681 PolarHBondContact O-OG1 2.89Å |
| 2678 | A | 60.3 | Low | 55.8 | Low | 42 Ų | 42 | 103.4 Ų | 103.4 | 35% | 0.347 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.1 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D2674 S2680 T2681 Q2682 | D2674-A2678 WeakPolarHBondContact O-CB 3.33Å; D2674-A2678 PolarHBondContact O-N 3.31Å; A2678-S2680 PolarHBondContact O-N 2.72Å; A2678-T2681 PolarHBondContact O-N 3.46Å; A2678-T2681 VanDerWaalsContact O-N 3.1Å; A2678-T2681 PolarHBondContact O-OG1 3.44Å; A2678-Q2682 PolarHBondContact O-N 2.83Å; A2678-Q2682 VanDerWaalsContact O-N 3.15Å |
| 2679 | K | 58.9 | Low | 54.1 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.5 | -21.4 | 175 | -70.9 | 176.4 | -173 | 172.3 | 0 | 113.8 | E2675 T2681 | E2675-K2679 VanDerWaalsContact CD-NZ 3.34Å; E2675-K2679 HydrophobicContact CG-CD 4.27Å; E2675-K2679 WeakPolarHBondContact O-CB 3.35Å; E2675-K2679 WeakPolarHBondContact O-CG 3.18Å; E2675-K2679 PolarHBondContact O-N 2.89Å; E2675-K2679 VanDerWaalsContact OE1-CE 3.29Å; E2675-K2679 WeakPolarHBondContact OE1-CE 3.48Å; E2675-K2679 IonicContact OE1-NZ 2.59Å; E2675-K2679 PolarHBondContact OE1-NZ 2.7Å; K2679-T2681 VanDerWaalsContact C-N 3.35Å |
| 2680 | S | 50 | Low | 52.5 | Low | 57 Ų | 57 | 108.2 Ų | 108.2 | 40% | 0.399 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -82.5 | -11.3 | 173.9 | -58.9 | 0 | 0 | 0 | 0 | 113.6 | V2676 V2677 A2678 | V2676-S2680 VanDerWaalsContact O-CB 3.32Å; V2676-S2680 WeakPolarHBondContact O-CB 3.28Å; V2676-S2680 PolarHBondContact O-N 3.18Å; V2676-S2680 PolarHBondContact O-OG 3Å; V2677-S2680 WeakPolarHBondContact O-CB 3.19Å; V2677-S2680 PolarHBondContact O-N 3.18Å; V2677-S2680 VanDerWaalsContact O-N 3.13Å; A2678-S2680 PolarHBondContact O-N 2.72Å |
| 2681 | T | 48.1 | Very low | 50.5 | Low | 96 Ų | 96 | 115.4 Ų | 115.4 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -108.3 | -10.9 | 178.1 | 43.3 | 0 | 0 | 0 | 0 | 113.4 | V2677 A2678 K2679 I2683 | V2677-T2681 PolarHBondContact O-N 3.34Å; V2677-T2681 PolarHBondContact O-OG1 2.89Å; A2678-T2681 PolarHBondContact O-N 3.46Å; A2678-T2681 VanDerWaalsContact O-N 3.1Å; A2678-T2681 PolarHBondContact O-OG1 3.44Å; K2679-T2681 VanDerWaalsContact C-N 3.35Å; T2681-I2683 PolarHBondContact O-N 2.7Å |
| 2682 | Q | 41.2 | Very low | 48.4 | Very low | 155 Ų | 155 | 116.8 Ų | 116.8 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | trans | -98.6 | 57.6 | -180 | -165.4 | 169 | 64.5 | 0 | 0 | 112.2 | A2678 | A2678-Q2682 PolarHBondContact O-N 2.83Å; A2678-Q2682 VanDerWaalsContact O-N 3.15Å | ||
| 2683 | I | 38.4 | Very low | 46.5 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -98.6 | 113 | 169 | -61.1 | 177.9 | 0 | 0 | 0 | 107.2 | T2681 D2685 | T2681-I2683 PolarHBondContact O-N 2.7Å; I2683-D2685 PolarHBondContact O-N 2.7Å | ||
| 2684 | D | 44.1 | Very low | 45.1 | Very low | 135 Ų | 135 | 118 Ų | 118 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -64.3 | 113.6 | -179.2 | -65.7 | -55.7 | 0 | 0 | 0 | 111.6 | N2686 | D2684-N2686 VanDerWaalsContact C-N 3.34Å; D2684-N2686 PolarHBondContact O-N 2.91Å | ||
| 2685 | D | 36 | Very low | 43.2 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 67% | 0.674 | 66% | 0.663 | S | S | * | * | trans | -71.5 | 82.7 | 176.5 | -92 | -39.1 | 0 | 0 | 0 | 111.5 | I2683 L2692 | I2683-D2685 PolarHBondContact O-N 2.7Å; D2685-L2692 VanDerWaalsContact OD1-CD1 3.28Å; D2685-L2692 WeakPolarHBondContact OD1-CD1 3.22Å | ||
| 2686 | N | 39.8 | Very low | 41.6 | Very low | 139 Ų | 139 | 117.6 Ų | 117.6 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | trans | -129.9 | 53.7 | 174.7 | -80.7 | -75.6 | 0 | 0 | 0 | 112.8 | D2684 | D2684-N2686 VanDerWaalsContact C-N 3.34Å; D2684-N2686 PolarHBondContact O-N 2.91Å | ||
| 2687 | D | 39.6 | Very low | 40.3 | Very low | 166 Ų | 166 | 121.6 Ų | 121.6 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -171.4 | 142 | 135.8 | -104.2 | -29.3 | 0 | 0 | 0 | 111.4 | Q2689 | D2687-Q2689 PolarHBondContact O-N 2.75Š|
| 2688 | G | 33.7 | Very low | 39.1 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -79 | 102.3 | -159.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 2689 | Q | 33.6 | Very low | 37.7 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | trans | -156.7 | 105 | 144.9 | -115.4 | 178.3 | 45.1 | 0 | 0 | 112.1 | D2687 R2691 | D2687-Q2689 PolarHBondContact O-N 2.75Å; Q2689-R2691 PolarHBondContact O-N 2.73Å | ||
| 2690 | G | 28.9 | Very low | 36.5 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -67.6 | 97.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2691 | R | 31.5 | Very low | 35.8 | Very low | 235 Ų | 235 | 136 Ų | 136 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -143.8 | 56.2 | 169.4 | -72.2 | -163.6 | 176.1 | -136.6 | -0 | 113 | Q2689 | Q2689-R2691 PolarHBondContact O-N 2.73Š| ||
| 2692 | L | 30.3 | Very low | 34.9 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 59% | 0.586 | 76% | 0.761 | S | S | * | * | trans | -122 | 140.6 | 175.2 | -59.4 | 177 | 0 | 0 | 0 | 108.6 | D2685 | D2685-L2692 VanDerWaalsContact OD1-CD1 3.28Å; D2685-L2692 WeakPolarHBondContact OD1-CD1 3.22Å | ||
| 2693 | L | 30.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 63% | 0.634 | 77% | 0.767 | S | S | * | * | S | Bend | cis | -130.8 | 128.1 | -3.6 | -65.6 | 169.4 | 0 | 0 | 0 | 109.5 | ||
| 2694 | S | 34.9 | Very low | 34.3 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -141.1 | 7.5 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2695 | S | 33.8 | Very low | 33.7 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -117.7 | -21.8 | -162.4 | 42.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 2696 | V | 34.9 | Very low | 33.7 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 58% | 0.582 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -80.2 | -26.6 | -169.1 | -176.9 | 0 | 0 | 0 | 0 | 113.4 | K2698 | V2696-K2698 PolarHBondContact O-N 3.44Š|
| 2697 | N | 35.5 | Very low | 33.4 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -76.6 | 19.7 | -178.1 | -120.7 | -21.3 | 0 | 0 | 0 | 114.5 | ||
| 2698 | K | 36.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 73% | 0.726 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -107 | 10.3 | -163.6 | -144.4 | 171.2 | -173.6 | 175.5 | 0 | 115.3 | V2696 | V2696-K2698 PolarHBondContact O-N 3.44Š|
| 2699 | C | 30.5 | Very low | 33.5 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -108.5 | 3.6 | -170.4 | -67.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 2700 | L | 34.3 | Very low | 33.9 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -120.8 | 3 | -178.4 | -89.3 | 168.9 | 0 | 0 | 0 | 116.6 | ||
| 2701 | E | 36.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -98.3 | 30.1 | 175.6 | -66.4 | -159.6 | 137.7 | 0 | 0 | 114.3 | S2703 | E2701-S2703 PolarHBondContact O-N 3.42Š| ||
| 2702 | Y | 29.3 | Very low | 34.5 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 63 | 177.2 | -79.6 | -78 | 0 | 0 | 0 | 113.6 | ||
| 2703 | S | 33.2 | Very low | 34.9 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.1 | 20.4 | 165.6 | -81.6 | 0 | 0 | 0 | 0 | 114.9 | E2701 | E2701-S2703 PolarHBondContact O-N 3.42Š|
| 2704 | S | 33.8 | Very low | 35.6 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | trans | -148.6 | 84.2 | 171.3 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | E2706 | S2704-E2706 VanDerWaalsContact C-N 3.31Å; S2704-E2706 PolarHBondContact O-N 3.37Å | ||
| 2705 | S | 31.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -71.6 | 77.7 | -177.5 | -43.7 | 0 | 0 | 0 | 0 | 112.3 | R2102 | R2102-S2705 VanDerWaalsContact CZ-O 3.29Å; R2102-S2705 PolarHBondContact NH1-O 3.16Å; R2102-S2705 VanDerWaalsContact NH2-C 3.27Å; R2102-S2705 PolarHBondContact NH2-O 3.46Å | ||
| 2706 | E | 34.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 54% | 0.537 | 77% | 0.773 | S | S | . | * | trans | -100.5 | 134.3 | 170 | -157.1 | 82.1 | -118.6 | 0 | 0 | 108.4 | R2102 S2704 V2708 | R2102-E2706 WeakPolarHBondContact CD-OE1 3.43Å; R2102-E2706 IonicContact CZ-OE1 2.88Å; R2102-E2706 IonicContact CZ-OE2 2.7Å; R2102-E2706 IonicContact NE-OE1 2.68Å; R2102-E2706 PolarHBondContact NE-OE1 3Å; R2102-E2706 IonicContact NE-OE2 2.91Å; R2102-E2706 PolarHBondContact NE-OE2 2.98Å; R2102-E2706 IonicContact NH1-OE1 3.9Å; R2102-E2706 IonicContact NH2-OE1 3.49Å; R2102-E2706 IonicContact NH2-OE2 3.91Å; R2102-E2706 PolarHBondContact NH2-OE2 3.02Å; S2704-E2706 VanDerWaalsContact C-N 3.31Å; S2704-E2706 PolarHBondContact O-N 3.37Å; E2706-V2708 PolarHBondContact O-N 3.46Å | ||
| 2707 | Q | 34 | Very low | 36.2 | Very low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -81.6 | 120.3 | 177.2 | -72.1 | 167.1 | -94.7 | 0 | 0 | 109.3 | M2709 | Q2707-M2709 PolarHBondContact O-N 2.86Š| ||
| 2708 | V | 34.1 | Very low | 36.1 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -75 | 85.3 | 160.8 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | E2706 | E2706-V2708 PolarHBondContact O-N 3.46Š| ||
| 2709 | M | 41 | Very low | 36.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 61% | 0.611 | 77% | 0.774 | S | S | * | * | trans | -71.6 | 131.8 | 158.1 | -75.3 | -65.3 | -61.3 | 0 | 0 | 107.8 | Q2707 | Q2707-M2709 PolarHBondContact O-N 2.86Š| ||
| 2710 | L | 42.1 | Very low | 36.5 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -90 | 97 | 163.8 | -68.3 | 169.3 | 0 | 0 | 0 | 106.1 | D2712 | L2710-D2712 PolarHBondContact O-N 3.3Š| ||
| 2711 | D | 35 | Very low | 36.5 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -80.4 | 68.5 | 175.2 | -70.3 | -22.6 | 0 | 0 | 0 | 109.8 | ||||
| 2712 | D | 38.7 | Very low | 36.6 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -89.2 | 170 | 158.4 | -77.1 | -56.1 | 0 | 0 | 0 | 110 | L2710 | L2710-D2712 PolarHBondContact O-N 3.3Š| ||
| 2713 | D | 37.9 | Very low | 36.7 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 67.1 | 87.5 | 175.8 | -63.8 | -22.6 | 0 | 0 | 0 | 118.2 | ||||
| 2714 | K | 45.4 | Very low | 37 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -36 | 139.4 | 161.4 | -57.9 | 159.7 | -176.6 | 167.6 | 0 | 114 | ||||
| 2715 | E | 39.5 | Very low | 37 | Very low | 204 Ų | 204 | 149.9 Ų | 149.9 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | trans | -57.4 | 137.8 | 164.2 | -66.8 | 178.6 | 112.4 | 0 | 0 | 111.5 | ||||
| 2716 | F | 36.7 | Very low | 37.2 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | trans | -126.2 | 129.7 | 171.7 | -175.1 | -89.5 | 0 | 0 | 0 | 110.3 | G2718 | F2716-G2718 PolarHBondContact O-N 3.45Å; F2716-G2718 VanDerWaalsContact O-N 3.15Å | ||
| 2717 | D | 40.2 | Very low | 37.2 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 102.4 | -168.1 | -112.4 | -41.3 | 0 | 0 | 0 | 113.4 | T2719 | D2717-T2719 PolarHBondContact O-N 3.47Š| ||
| 2718 | G | 34.3 | Very low | 37.1 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -87.9 | 73.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | F2716 | F2716-G2718 PolarHBondContact O-N 3.45Å; F2716-G2718 VanDerWaalsContact O-N 3.15Å | ||
| 2719 | T | 39.6 | Very low | 37.1 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -141.5 | 83.3 | 169.9 | 49.3 | 0 | 0 | 0 | 0 | 117.1 | D2717 | D2717-T2719 PolarHBondContact O-N 3.47Š| ||
| 2720 | R | 35.8 | Very low | 36.6 | Very low | 250 Ų | 250 | 154.6 Ų | 154.6 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | 168.2 | 113.7 | 124 | -90.9 | 165.6 | -172.5 | -139 | 1.7 | 114.2 | |||||
| 2721 | I | 33.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -96.2 | 164.1 | 166 | -69.2 | 162.3 | 0 | 0 | 0 | 107.5 | ||||
| 2722 | P | 38.4 | Very low | 35.9 | Very low | 104 Ų | 104 | 155.3 Ų | 155.3 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -115.1 | -159.2 | -6 | 30.5 | -6.7 | 0 | 0 | 0 | 110.8 | ||||
| 2723 | N | 31.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | cis | -172.7 | -174.8 | 32.6 | -144.7 | -4.7 | 0 | 0 | 0 | 112.5 | ||||
| 2724 | I | 39.4 | Very low | 35.1 | Very low | 158 Ų | 158 | 153.7 Ų | 153.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 91.6 | 104.5 | 177 | -53.6 | 169.3 | 0 | 0 | 0 | 113.5 | ||||
| 2725 | L | 32.8 | Very low | 34.3 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -88.5 | -175.8 | 163.6 | -75.5 | 161.7 | 0 | 0 | 0 | 109.8 | ||||
| 2726 | D | 36.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 72.1 | 116.8 | 166.6 | -44.1 | -33.7 | 0 | 0 | 0 | 114.1 | ||||
| 2727 | N | 35.3 | Very low | 33.6 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | cis | -150.7 | 157.4 | 30.7 | -69.8 | -91.9 | 0 | 0 | 0 | 112.5 | ||||
| 2728 | N | 31.4 | Very low | 33.3 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -74.2 | 138.6 | 151.7 | -67.9 | -36.5 | 0 | 0 | 0 | 108.9 | ||||
| 2729 | E | 33.7 | Very low | 33.1 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | 161.4 | 130.6 | 134.7 | -94 | -179.8 | -158 | 0 | 0 | 110.7 | ||||
| 2730 | N | 30.2 | Very low | 33.1 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 66.6 | 163.2 | -178.6 | -45.9 | -74.3 | 0 | 0 | 0 | 113.2 | ||||
| 2731 | L | 33.2 | Very low | 32.8 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | cis | -149.2 | 155.9 | 12 | -161.3 | 71.7 | 0 | 0 | 0 | 108.5 | ||||
| 2732 | F | 29.8 | Very low | 32.7 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 1.5 | 145.4 | 142.8 | -59.4 | -115.9 | 0 | 0 | 0 | 117.2 | ||||
| 2733 | D | 32.9 | Very low | 32.5 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -162.8 | 178.2 | 17.3 | -115.2 | -22.9 | 0 | 0 | 0 | 111 | ||||
| 2734 | T | 26.7 | Very low | 32.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -138.6 | 135.8 | 157.1 | -40.3 | 0 | 0 | 0 | 0 | 111 | ||
| 2735 | V | 28.3 | Very low | 32.2 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | 69.1 | 89.9 | 177.5 | -162.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2736 | A | 32.1 | Very low | 32.1 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -152.1 | 81.3 | 156 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2737 | T | 29.8 | Very low | 31.8 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | 41.9 | 149.3 | 139.6 | 56.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2738 | A | 34.6 | Very low | 31.7 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | trans | 76.8 | 123.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2739 | D | 30.3 | Very low | 31.7 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | 77 | 141.8 | 51 | -71.8 | -49.6 | 0 | 0 | 0 | 114.4 | |||||
| 2740 | N | 37.7 | Very low | 31.5 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | 71.5 | 96.8 | -172.6 | -44 | -81.9 | 0 | 0 | 0 | 112 | ||||
| 2741 | S | 30.3 | Very low | 31.5 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | cis | 68.5 | 133.5 | 41.2 | 106.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2742 | A | 31.8 | Very low | 31.6 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | 76.7 | 144.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2743 | Y | 32.9 | Very low | 31.6 | Very low | 233 Ų | 233 | 127.8 Ų | 127.8 | 91% | 0.914 | 74% | 0.735 | S | S | * | * | trans | 63.6 | 137.6 | 173.1 | -57.2 | -79.2 | 0 | 0 | 0 | 117.2 | ||||
| 2744 | G | 33 | Very low | 31.5 | Very low | 65 Ų | 65 | 126.5 Ų | 126.5 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | cis | -159.8 | 146.5 | -4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2745 | D | 32.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | 70.4 | 147.5 | 73.7 | -170.2 | 31.5 | 0 | 0 | 0 | 113.2 | |||||
| 2746 | R | 31.8 | Very low | 32 | Very low | 198 Ų | 198 | 126.9 Ų | 126.9 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | trans | 67.5 | 95.5 | 178.1 | -68.8 | 140.9 | -158.4 | -107.9 | -9.8 | 115.9 | ||||
| 2747 | T | 29.8 | Very low | 32.1 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | 60.9 | 121.6 | 79.5 | 69.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 2748 | M | 33.8 | Very low | 32.2 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | -176.1 | 116.9 | 113.2 | -86.8 | -111.9 | 153.6 | 0 | 0 | 107.3 | |||||
| 2749 | Q | 29.9 | Very low | 32.5 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | 81 | 135.5 | 72.3 | -87.7 | -164.5 | -4 | 0 | 0 | 114.6 | |||||
| 2750 | I | 30.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 67% | 0.672 | 71% | 0.705 | S | S | * | * | trans | 82.4 | 105.4 | 139.1 | -73.4 | 172.3 | 0 | 0 | 0 | 119.3 | ||||
| 2751 | V | 30.8 | Very low | 33 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | 71.8 | 151.8 | 130 | 179.1 | 0 | 0 | 0 | 0 | 118.8 | E2753 | V2751-E2753 HydrophobicContact CG1-CG 4.2Š| |||
| 2752 | G | 33.9 | Very low | 33.5 | Very low | 66 Ų | 66 | 131.7 Ų | 131.7 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | trans | 132.8 | 44.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2753 | E | 31.5 | Very low | 33.9 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | 56.4 | 85.3 | 98.1 | -74.7 | -155.2 | 120.4 | 0 | 0 | 116.7 | V2751 | V2751-E2753 HydrophobicContact CG1-CG 4.2Š| |||
| 2754 | T | 29.6 | Very low | 34.1 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | trans | 78.6 | 154.2 | 130.5 | 79.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2755 | N | 31.1 | Very low | 34.3 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | trans | 75.8 | 113.8 | 136.1 | -79 | -41.9 | 0 | 0 | 0 | 121.2 | ||||
| 2756 | K | 34.9 | Very low | 34.9 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 70% | 0.7 | 70% | 0.696 | S | S | * | * | 97.2 | 107.1 | 122 | -69.5 | 169.2 | -174.6 | 159.1 | 0 | 120.3 | |||||
| 2757 | N | 33.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | 93.7 | 130.4 | 116 | -75.3 | 43.3 | 0 | 0 | 0 | 121.1 | |||||
| 2758 | D | 33.5 | Very low | 35.3 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | trans | 53.7 | 122.3 | 133 | -51.7 | -34.5 | 0 | 0 | 0 | 120.9 | ||||
| 2759 | V | 39.9 | Very low | 35.6 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | 176.2 | 99.6 | 99 | 156.6 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 2760 | S | 36 | Very low | 35.8 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | 56.6 | 116.6 | 81.8 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2761 | N | 43.1 | Very low | 36 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | -163.2 | 122.1 | 111.8 | -90.2 | -25.8 | 0 | 0 | 0 | 112.9 | |||||
| 2762 | R | 39.6 | Very low | 36.4 | Very low | 179 Ų | 179 | 124.2 Ų | 124.2 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | trans | -76.7 | 169.6 | 167.9 | -132.6 | -174.1 | 155 | -172.1 | -6.1 | 109.3 | Y2764 S2765 | R2762-Y2764 PolarHBondContact NE-O 2.83Å; R2762-Y2764 PolarHBondContact NH2-O 2.82Å; R2762-S2765 VanDerWaalsContact NH2-CB 3.34Å; R2762-S2765 PolarHBondContact NH2-OG 3.35Å | ||
| 2763 | P | 40.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | -132.5 | -176 | 56.6 | 44.7 | -30 | 0 | 0 | 0 | 112.2 | |||||
| 2764 | Y | 38 | Very low | 36.9 | Very low | 194 Ų | 194 | 123.3 Ų | 123.3 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | cis | -142.5 | -132.3 | -0.4 | -141 | -38.7 | 0 | 0 | 0 | 111.4 | R2762 | R2762-Y2764 PolarHBondContact NE-O 2.83Å; R2762-Y2764 PolarHBondContact NH2-O 2.82Å | ||
| 2765 | S | 37.7 | Very low | 37.3 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 50% | 0.497 | 72% | 0.716 | S | S | . | * | trans | -179.5 | -171.9 | -176.5 | 50.6 | 0 | 0 | 0 | 0 | 107.4 | R2762 | R2762-S2765 VanDerWaalsContact NH2-CB 3.34Å; R2762-S2765 PolarHBondContact NH2-OG 3.35Å | ||
| 2766 | P | 44.3 | Very low | 37.5 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | cis | -126.8 | -146.4 | -2.4 | 36.3 | -11.4 | 0 | 0 | 0 | 110.8 | ||||
| 2767 | C | 30.9 | Very low | 37.5 | Very low | 95 Ų | 95 | 122 Ų | 122 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | cis | -161.4 | 179.8 | 5 | -141.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2768 | E | 38.8 | Very low | 37.9 | Very low | 160 Ų | 160 | 124 Ų | 124 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | 61.5 | 105.4 | 145.3 | -80.6 | 154.2 | -110.5 | 0 | 0 | 123.2 | ||||
| 2769 | S | 41.6 | Very low | 38.3 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | 86.2 | 139.6 | 121.9 | -56.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 2770 | T | 33.1 | Very low | 38.6 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | cis | -165.8 | 146.9 | -19 | 24.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 2771 | T | 34.7 | Very low | 39.7 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 46.6 | 116.8 | 149.9 | 58.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2772 | S | 38 | Very low | 40.8 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | 168.4 | 121.9 | 99.6 | -70.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 2773 | A | 39.2 | Very low | 41.3 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | trans | 58.2 | 151.1 | 153 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2774 | S | 37.2 | Very low | 42.8 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -165 | 166 | -20.1 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2775 | E | 37.5 | Very low | 44.4 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -52.7 | 153.9 | -168.8 | -59.3 | 94.3 | 128.4 | 0 | 0 | 116.8 | ||||
| 2776 | G | 35.6 | Very low | 46 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -178.4 | 79.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2777 | S | 34.8 | Very low | 47.3 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -61.6 | 168.7 | 160.3 | 25.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2778 | E | 42.8 | Very low | 48.9 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | cis | -157.2 | -172.5 | 3.1 | -122.1 | 134.8 | -140.2 | 0 | 0 | 108.3 | I2780 | E2778-I2780 PolarHBondContact O-N 3.23Š| ||
| 2779 | D | 40.5 | Very low | 49.6 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | trans | -55.4 | 134.8 | 164.6 | -71.4 | -69.9 | 0 | 0 | 0 | 111.7 | ||||
| 2780 | I | 48.2 | Very low | 50.3 | Low | 144 Ų | 144 | 123.6 Ų | 123.6 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -112.9 | 103.8 | 178.3 | -59.2 | 179.3 | 0 | 0 | 0 | 109 | E2778 | E2778-I2780 PolarHBondContact O-N 3.23Š| ||
| 2781 | E | 58.4 | Low | 51.5 | Low | 173 Ų | 173 | 121.7 Ų | 121.7 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -56.4 | 138.4 | 163.7 | -94.3 | -170.5 | 137.7 | 0 | 0 | 110.3 | F2783 | E2781-F2783 PolarHBondContact O-N 3.42Å; E2781-F2783 VanDerWaalsContact O-N 3.15Å | ||
| 2782 | P | 66.1 | Low | 52.4 | Low | 123 Ų | 123 | 121 Ų | 121 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | -66.6 | 116 | 175.7 | 27.6 | -33 | 0 | 0 | 0 | 110 | ||||
| 2783 | F | 50 | Low | 53.1 | Low | 187 Ų | 187 | 119.3 Ų | 119.3 | 82% | 0.82 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 137.4 | 179.1 | -84.5 | -96.2 | 0 | 0 | 0 | 112.2 | E2781 | E2781-F2783 PolarHBondContact O-N 3.42Å; E2781-F2783 VanDerWaalsContact O-N 3.15Å |
| 2784 | P | 71 | Confident | 53.8 | Low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 145.1 | 171.6 | 27.2 | -34.4 | 0 | 0 | 0 | 110.3 | ||
| 2785 | P | 73 | Confident | 54.5 | Low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 145.3 | 178.5 | 26.9 | -34.5 | 0 | 0 | 0 | 110.7 | ||
| 2786 | P | 70.9 | Confident | 54.9 | Low | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 146.1 | 177.5 | 27.4 | -34.7 | 0 | 0 | 0 | 110.8 | ||
| 2787 | P | 72.1 | Confident | 55.4 | Low | 77 Ų | 77 | 125.8 Ų | 125.8 | 50% | 0.5 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 157.4 | 176.9 | 27.6 | -35.3 | 0 | 0 | 0 | 111.5 | V2791 L2792 | P2787-V2791 HydrophobicContact CB-CB 4.22Å; P2787-V2791 HydrophobicContact CB-CG1 4.39Å; P2787-L2792 HydrophobicContact CG-CD2 4.42Å; P2787-L2792 HydrophobicContact CG-CG 4.43Å |
| 2788 | S | 63.3 | Low | 55.5 | Low | 64 Ų | 64 | 130.3 Ų | 130.3 | 45% | 0.448 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 151.4 | 178.4 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | E2790 V2791 | S2788-E2790 PolarHBondContact O-N 3.14Å; S2788-V2791 PolarHBondContact O-N 2.9Å |
| 2789 | A | 53.3 | Low | 55.5 | Low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -19.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2792 A2793 | A2789-L2792 PolarHBondContact O-N 2.74Å; A2789-A2793 PolarHBondContact O-N 3.1Å |
| 2790 | E | 57.1 | Low | 55.3 | Low | 158 Ų | 158 | 129.4 Ų | 129.4 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -39.1 | 173.5 | -67.4 | 148.7 | 156.6 | 0 | 0 | 111.7 | S2788 L2792 A2793 | S2788-E2790 PolarHBondContact O-N 3.14Å; E2790-L2792 VanDerWaalsContact C-N 3.28Å; E2790-L2792 PolarHBondContact O-N 3.24Å; E2790-A2793 PolarHBondContact O-N 3.49Å |
| 2791 | V | 57.2 | Low | 54.8 | Low | 76 Ų | 76 | 126.1 Ų | 126.1 | 46% | 0.461 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | -20.9 | 179.2 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | P2787 S2788 | P2787-V2791 HydrophobicContact CB-CB 4.22Å; P2787-V2791 HydrophobicContact CB-CG1 4.39Å; S2788-V2791 PolarHBondContact O-N 2.9Å |
| 2792 | L | 53.8 | Low | 53.9 | Low | 108 Ų | 108 | 123.9 Ų | 123.9 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -6.7 | 178.4 | -66.9 | 173.8 | 0 | 0 | 0 | 113.5 | P2787 A2789 E2790 | P2787-L2792 HydrophobicContact CG-CD2 4.42Å; P2787-L2792 HydrophobicContact CG-CG 4.43Å; A2789-L2792 PolarHBondContact O-N 2.74Å; E2790-L2792 VanDerWaalsContact C-N 3.28Å; E2790-L2792 PolarHBondContact O-N 3.24Å |
| 2793 | A | 53.9 | Low | 52.3 | Low | 81 Ų | 81 | 125.3 Ų | 125.3 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -87.2 | -17.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A2789 E2790 | A2789-A2793 PolarHBondContact O-N 3.1Å; E2790-A2793 PolarHBondContact O-N 3.49Å |
| 2794 | E | 52.9 | Low | 51.4 | Low | 175 Ų | 175 | 124.5 Ų | 124.5 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -93.3 | 3 | -170.4 | -157.6 | 169.3 | -148.4 | 0 | 0 | 113.8 | ||
| 2795 | V | 53 | Low | 49.6 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -118.5 | 4.7 | -164 | -171.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 2796 | I | 45.2 | Very low | 47.8 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 64% | 0.641 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -124.2 | 115.1 | -170.9 | -58.2 | -176.9 | 0 | 0 | 0 | 112.7 | ||
| 2797 | E | 46.6 | Very low | 46.2 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | 73.2 | 75.7 | 155 | -69.5 | 162.2 | -157.2 | 0 | 0 | 118.8 | E2799 | E2797-E2799 PolarHBondContact O-N 3.39Š| ||
| 2798 | E | 36.8 | Very low | 44.4 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | trans | -58.1 | 101.5 | 140 | 177.6 | -172 | -169.2 | 0 | 0 | 110.9 | ||||
| 2799 | E | 41.5 | Very low | 43.1 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -146 | 157.1 | 157.7 | -150.1 | 175.2 | -149.2 | 0 | 0 | 111.2 | E2797 | E2797-E2799 PolarHBondContact O-N 3.39Š| ||
| 2800 | T | 37.5 | Very low | 42 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -116.2 | 112.9 | -146.1 | 40.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2801 | G | 36.5 | Very low | 40.9 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 75.5 | -175.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 2802 | P | 40.1 | Very low | 39.7 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -130 | 162.5 | -15.3 | 39.7 | -25.2 | 0 | 0 | 0 | 115.2 | ||||
| 2803 | N | 31.7 | Very low | 38.7 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 8.8 | 132.1 | 164.1 | -71.7 | 4.1 | 0 | 0 | 0 | 121.9 | ||||
| 2804 | I | 32.9 | Very low | 37.8 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | -150.9 | 138.6 | 124.2 | -97.8 | 145.9 | 0 | 0 | 0 | 108.3 | |||||
| 2805 | E | 32.4 | Very low | 36.7 | Very low | 170 Ų | 170 | 155.7 Ų | 155.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -79 | 148.5 | -176.1 | -62.3 | 149.8 | 108.4 | 0 | 0 | 113.1 | ||||
| 2806 | V | 34.9 | Very low | 35.8 | Very low | 140 Ų | 140 | 155.9 Ų | 155.9 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -137.5 | 129.4 | 151.1 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2807 | V | 37.8 | Very low | 35.1 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -88.7 | 142 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | E2809 | V2807-E2809 HydrophobicContact CG1-CG 3.91Š| ||
| 2808 | E | 33.4 | Very low | 34.4 | Very low | 187 Ų | 187 | 156.6 Ų | 156.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -116.5 | 132.9 | 153.7 | -63.2 | -156.7 | 140.6 | 0 | 0 | 108 | ||||
| 2809 | E | 36.6 | Very low | 34.2 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -99 | 156.7 | 177.5 | -73.5 | 166.4 | 144.1 | 0 | 0 | 109.9 | V2807 | V2807-E2809 HydrophobicContact CG1-CG 3.91Š| ||
| 2810 | E | 29.9 | Very low | 34 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -84.4 | -141.2 | -179.7 | -67.3 | 169.4 | 141.9 | 0 | 0 | 110.3 | R2360 | R2360-E2810 IonicContact CZ-OE1 3.75Å; R2360-E2810 IonicContact NH1-OE1 3.94Å; R2360-E2810 PolarHBondContact NH1-OE1 3.16Å; R2360-E2810 IonicContact NH1-OE2 3.81Å | ||
| 2811 | E | 35 | Very low | 33.8 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | 76.9 | 112.3 | -171.6 | -55.9 | 174.3 | -170.1 | 0 | 0 | 113.9 | ||||
| 2812 | E | 32.4 | Very low | 33.5 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | cis | 95.9 | 130 | 33.4 | -64.4 | -172.7 | 150.4 | 0 | 0 | 114.6 | ||||
| 2813 | E | 31.4 | Very low | 33.3 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 57.5 | 174.2 | 158.5 | -59.7 | -179.4 | 165.2 | 0 | 0 | 117.3 | ||||
| 2814 | E | 34.4 | Very low | 33.6 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | cis | -121.1 | -173.5 | -5.2 | -77.7 | -177.3 | 115.8 | 0 | 0 | 110.9 | ||||
| 2815 | E | 31.4 | Very low | 33.8 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -79.6 | -153.7 | 174.3 | -56.7 | -173 | 107 | 0 | 0 | 113.2 | ||||
| 2816 | N | 33.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | 85.7 | 103.6 | 163.4 | -53.4 | -29.1 | 0 | 0 | 0 | 118.6 | ||||
| 2817 | D | 30.8 | Very low | 34.5 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | 85.9 | 147.5 | 114.6 | -63.5 | -25 | 0 | 0 | 0 | 124 | |||||
| 2818 | E | 32.7 | Very low | 34.5 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 68.7 | 123.1 | 150.8 | -76.1 | 173.2 | -174.9 | 0 | 0 | 121.8 | ||||
| 2819 | D | 32.6 | Very low | 34.6 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | trans | -47.8 | 123.9 | 156.5 | -61.9 | -68.2 | 0 | 0 | 0 | 113.2 | ||||
| 2820 | D | 36.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | -167.5 | 122.6 | 123.5 | -102.4 | -19.8 | 0 | 0 | 0 | 106.6 | |||||
| 2821 | D | 32.6 | Very low | 34.6 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | 61.6 | 166.8 | 71.4 | -155.3 | 20.7 | 0 | 0 | 0 | 114.1 | |||||
| 2822 | C | 30.5 | Very low | 34.5 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | 62.8 | 91.4 | 172.2 | -71.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2823 | E | 35.3 | Very low | 34.3 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | 71.4 | 176 | 122.2 | -69 | -108.1 | 78 | 0 | 0 | 116.5 | |||||
| 2824 | E | 39 | Very low | 34.4 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 50% | 0.495 | 73% | 0.725 | S | S | . | * | cis | -145.4 | -178.6 | 0.3 | -153.5 | -168.4 | 150.8 | 0 | 0 | 107.7 | R2826 | E2824-R2826 IonicContact OE1-CZ 3.25Å; E2824-R2826 IonicContact OE1-NE 3.71Å; E2824-R2826 IonicContact OE1-NH2 2.7Å; E2824-R2826 PolarHBondContact OE1-NH2 3.46Å; E2824-R2826 IonicContact OE2-CZ 2.86Å; E2824-R2826 IonicContact OE2-NH1 3.6Å; E2824-R2826 IonicContact OE2-NH2 2.8Å; E2824-R2826 PolarHBondContact OE2-NH2 3.3Å | ||
| 2825 | N | 37.3 | Very low | 34.4 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 49% | 0.487 | 73% | 0.725 | S | S | . | * | trans | 89 | 143.9 | 131 | -81 | -24.3 | 0 | 0 | 0 | 125 | ||||
| 2826 | R | 38.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 55% | 0.547 | 72% | 0.72 | S | S | . | * | cis | -157.1 | 156.5 | -6.5 | -145.3 | 148.8 | -141.1 | 161.4 | 12.9 | 112.3 | E2824 | E2824-R2826 IonicContact OE1-CZ 3.25Å; E2824-R2826 IonicContact OE1-NE 3.71Å; E2824-R2826 IonicContact OE1-NH2 2.7Å; E2824-R2826 PolarHBondContact OE1-NH2 3.46Å; E2824-R2826 IonicContact OE2-CZ 2.86Å; E2824-R2826 IonicContact OE2-NH1 3.6Å; E2824-R2826 IonicContact OE2-NH2 2.8Å; E2824-R2826 PolarHBondContact OE2-NH2 3.3Å | ||
| 2827 | R | 43.1 | Very low | 34.3 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | trans | 71.6 | 140.4 | 162.5 | -65.2 | 130.1 | -166.3 | 174.5 | 0.6 | 115.6 | ||||
| 2828 | K | 38 | Very low | 34.3 | Very low | 186 Ų | 186 | 137 Ų | 137 | 81% | 0.809 | 73% | 0.731 | S | S | * | * | cis | -157.1 | 152.1 | 1.1 | -124.9 | -179.4 | 179.4 | -177.5 | 0 | 106.7 | ||||
| 2829 | S | 34.5 | Very low | 34.3 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | cis | -135.9 | -170.1 | 9.1 | -55.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2830 | S | 33.1 | Very low | 34.2 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | cis | -156 | -166.2 | 16 | -147.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2831 | S | 33.8 | Very low | 34 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -110.6 | 140.3 | -165.1 | 52.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 2832 | V | 33.1 | Very low | 34 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | -174.3 | 109 | 124 | 152.4 | 0 | 0 | 0 | 0 | 104.2 | |||||
| 2833 | S | 29 | Very low | 33.9 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | 71.3 | 129 | 64.9 | -142.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 2834 | T | 32.5 | Very low | 33.6 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | cis | -162 | 173.8 | 12.3 | -19.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2835 | V | 35.3 | Very low | 33.1 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | 82.6 | 129.3 | 167 | -161.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2836 | I | 29 | Very low | 32.7 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | trans | -135.8 | 144.5 | 174.5 | -65.2 | 165.7 | 0 | 0 | 0 | 105.1 | V2838 | I2836-V2838 HydrophobicContact CG2-CG2 3.79Š| ||
| 2837 | E | 33.9 | Very low | 32.2 | Very low | 197 Ų | 197 | 123.5 Ų | 123.5 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -143.7 | 138.4 | 152.7 | -135.6 | 157.7 | -135.8 | 0 | 0 | 109 | ||||
| 2838 | V | 29.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | trans | -128.1 | 139.3 | -170.9 | 172.3 | 0 | 0 | 0 | 0 | 108.5 | I2836 | I2836-V2838 HydrophobicContact CG2-CG2 3.79Š| ||
| 2839 | S | 33.6 | Very low | 31 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -149.4 | 142.2 | 163.4 | -75.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2840 | L | 30.2 | Very low | 30.8 | Very low | 157 Ų | 157 | 118.5 Ų | 118.5 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | -88.3 | 160.5 | -168.5 | -78.7 | 165 | 0 | 0 | 0 | 112.4 | ||||
| 2841 | P | 32.7 | Very low | 30.6 | Very low | 120 Ų | 120 | 118 Ų | 118 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | trans | -81.8 | 151.8 | -168 | 32.8 | -36.4 | 0 | 0 | 0 | 113.6 | ||||
| 2842 | I | 32.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 120.9 Ų | 120.9 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -128.5 | 136.2 | 167.8 | -64.3 | -178.1 | 0 | 0 | 0 | 109.6 | ||||
| 2843 | T | 28.4 | Very low | 30.6 | Very low | 67 Ų | 67 | 120.1 Ų | 120.1 | 41% | 0.411 | 69% | 0.693 | S | S | . | * | trans | -39.8 | 161.3 | -176.4 | 50.8 | 0 | 0 | 0 | 0 | 119.7 | N2475 E2476 M2477 | N2475-T2843 CarbonylContact C-O 3.19Å; E2476-T2843 PolarHBondContact N-O 3.5Å; E2476-T2843 VanDerWaalsContact N-O 3.09Å; M2477-T2843 PolarHBondContact N-OG1 3.38Å | ||
| 2844 | A | 28.6 | Very low | 30.9 | Very low | 57 Ų | 57 | 121.6 Ų | 121.6 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | trans | 63.7 | 179.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L2474 N2475 E2476 | L2474-A2844 CarbonylContact C-O 3.46Å; L2474-A2844 VanDerWaalsContact C-O 3.29Å; L2474-A2844 CarbonylContact O-C 3.46Å; N2475-A2844 PolarHBondContact N-O 3.14Å; N2475-A2844 CarbonylContact O-C 3.58Å; N2475-A2844 WeakPolarHBondContact O-CB 3.48Å; E2476-A2844 VanDerWaalsContact O-CB 3.27Å; E2476-A2844 WeakPolarHBondContact O-CB 3.4Å | ||
| 2845 | S | 28 | Very low | 31.1 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 48% | 0.476 | 69% | 0.69 | S | S | . | * | cis | -171.2 | 173.7 | -38.3 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | L2474 N2475 | L2474-S2845 CarbonylContact C-O 3.4Å; L2474-S2845 PolarHBondContact O-N 2.97Å; N2475-S2845 PolarHBondContact O-N 2.9Å | ||
| 2846 | V | 28.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | 66 | 93.2 | 171.8 | -170.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2847 | S | 27.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | 83.9 | 136 | 69.4 | -65.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2848 | T | 27.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | trans | 82.3 | 148.1 | 152.4 | 2.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2849 | T | 29.3 | Very low | 32.3 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | trans | 70.2 | 144.8 | 153.2 | 54.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2850 | Q | 29.5 | Very low | 32.6 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | cis | -172.8 | 128.3 | -17.1 | 177 | 167.7 | -0.8 | 0 | 0 | 110.8 | ||||
| 2851 | N | 29.7 | Very low | 32.9 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 57% | 0.572 | 67% | 0.665 | S | S | * | * | trans | 58.7 | 179.3 | 151.1 | -63.3 | 13 | 0 | 0 | 0 | 119.1 | ||||
| 2852 | F | 32.6 | Very low | 33.2 | Very low | 160 Ų | 160 | 120.7 Ų | 120.7 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | cis | -150.9 | 154.4 | -9.1 | -114.3 | -29.7 | 0 | 0 | 0 | 108.3 | ||||
| 2853 | D | 34.8 | Very low | 33.4 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | trans | 55.5 | 158.7 | 136.7 | -49.8 | -18.2 | 0 | 0 | 0 | 121.4 | ||||
| 2854 | D | 35.1 | Very low | 33.8 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 68% | 0.684 | 67% | 0.667 | S | S | * | * | cis | -159.4 | -178.9 | 0.5 | -139 | -25.3 | 0 | 0 | 0 | 114.3 | ||||
| 2855 | N | 35.4 | Very low | 34.3 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 68% | 0.679 | 67% | 0.672 | S | S | * | * | trans | 81.4 | 113.6 | 167 | -56.1 | -71.2 | 0 | 0 | 0 | 116.3 | ||||
| 2856 | E | 38.3 | Very low | 34.7 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | 70.7 | 132.8 | 70.1 | -74.2 | -126.7 | 95.2 | 0 | 0 | 113.3 | |||||
| 2857 | T | 36.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | -163.8 | 112.9 | 66.6 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2858 | T | 38.5 | Very low | 35.6 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | trans | 48.3 | 141.4 | 152.1 | 72.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2859 | K | 39.7 | Very low | 36.2 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 78% | 0.783 | 69% | 0.692 | S | S | * | * | -166.4 | 159.6 | 62.9 | -85.3 | -173 | 178.3 | 170.6 | 0 | 114.5 | |||||
| 2860 | N | 39.4 | Very low | 36.5 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | 81 | 79.1 | 159 | -59 | -7.3 | 0 | 0 | 0 | 119.4 | ||||
| 2861 | K | 37.1 | Very low | 36.9 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | trans | -24.9 | 166 | 130.5 | -102.1 | -173.1 | 168 | -168.1 | 0 | 116.2 | E2863 | K2861-E2863 HydrophobicContact CD-CG 3.85Å; K2861-E2863 WeakPolarHBondContact CD-OE1 3.49Å; K2861-E2863 WeakPolarHBondContact CE-OE1 3.34Å; K2861-E2863 HydrophobicContact CG-CG 4.26Å; K2861-E2863 IonicContact NZ-OE1 3.78Å; K2861-E2863 PolarHBondContact NZ-OE1 3.29Å | ||
| 2862 | P | 39.1 | Very low | 37.2 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | cis | -121 | 152.7 | 32.7 | 7.5 | 19.1 | 0 | 0 | 0 | 116 | ||||
| 2863 | E | 38 | Very low | 37.6 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 51% | 0.509 | 71% | 0.709 | S | S | . | * | 67.7 | 143.2 | 81.9 | -53.3 | 168.4 | 159.4 | 0 | 0 | 113.3 | K2861 | K2861-E2863 HydrophobicContact CD-CG 3.85Å; K2861-E2863 WeakPolarHBondContact CD-OE1 3.49Å; K2861-E2863 WeakPolarHBondContact CE-OE1 3.34Å; K2861-E2863 HydrophobicContact CG-CG 4.26Å; K2861-E2863 IonicContact NZ-OE1 3.78Å; K2861-E2863 PolarHBondContact NZ-OE1 3.29Å | |||
| 2864 | F | 37.1 | Very low | 37.7 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | cis | -150.4 | 174.8 | 15.7 | -92.5 | -56.4 | 0 | 0 | 0 | 108.6 | ||||
| 2865 | S | 38.7 | Very low | 37.9 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | cis | -172.3 | 155.8 | -9.1 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2866 | N | 34.8 | Very low | 38.1 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | 64.7 | 165.3 | 153.7 | -63 | 13.6 | 0 | 0 | 0 | 119.4 | ||||
| 2867 | E | 38.6 | Very low | 38.2 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | cis | -138.8 | 152.6 | 0.4 | -149.3 | 126.3 | 160.9 | 0 | 0 | 111.6 | ||||
| 2868 | E | 37.5 | Very low | 38.7 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | trans | -102.8 | 125.1 | 175.7 | 177.6 | -174.9 | 169 | 0 | 0 | 110.1 | ||||
| 2869 | I | 40 | Very low | 39 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | trans | -131.8 | 108.5 | 164.8 | -58.7 | -178.9 | 0 | 0 | 0 | 109.5 | ||||
| 2870 | R | 35.5 | Very low | 39.1 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | trans | -84.8 | 143.3 | 150 | -71.4 | 166.4 | 157.1 | 164.1 | -5.6 | 107.5 | ||||
| 2871 | D | 38.5 | Very low | 39.1 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | -160.1 | 154.2 | 124.3 | -113.5 | -31.5 | 0 | 0 | 0 | 114.5 | |||||
| 2872 | N | 35.6 | Very low | 39.2 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | trans | -85.3 | -174.7 | 178.5 | -70.8 | -55.4 | 0 | 0 | 0 | 111.2 | ||||
| 2873 | P | 41.9 | Very low | 39 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | -133 | -176.4 | -62.9 | 40.2 | -25.6 | 0 | 0 | 0 | 110.9 | |||||
| 2874 | L | 36.9 | Very low | 39 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 93% | 0.927 | 74% | 0.744 | S | S | * | * | trans | -152 | 153.9 | 143.6 | -141.4 | 71.4 | 0 | 0 | 0 | 113.1 | ||||
| 2875 | I | 38.2 | Very low | 38.9 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | -122 | 132.6 | -174.9 | -62.1 | 159.8 | 0 | 0 | 0 | 108.3 | ||||
| 2876 | V | 40.5 | Very low | 38.8 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -145.4 | 137 | 138.4 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2877 | D | 39.2 | Very low | 38.7 | Very low | 102 Ų | 102 | 145 Ų | 145 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | trans | -47.4 | 134.5 | -177.6 | -79.9 | -73.2 | 0 | 0 | 0 | 121.6 | ||||
| 2878 | K | 47.8 | Very low | 38.7 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | 64.8 | 170.9 | 117.7 | -73 | -169.2 | -174.2 | 95.1 | 0 | 122 | |||||
| 2879 | P | 43.9 | Very low | 38.7 | Very low | 98 Ų | 98 | 144 Ų | 144 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -139.9 | 152.2 | -30.5 | 32.8 | -14.8 | 0 | 0 | 0 | 116.5 | ||||
| 2880 | K | 42 | Very low | 38.6 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 68% | 0.683 | 76% | 0.761 | S | S | * | * | trans | 56.8 | 173.7 | 135.4 | -66.7 | -157.5 | 169.1 | -145.1 | 0 | 120.7 | D2882 | K2880-D2882 IonicContact NZ-OD2 3.47Å; K2880-D2882 PolarHBondContact NZ-OD2 2.96Å | ||
| 2881 | E | 40.1 | Very low | 38.8 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | cis | -133.4 | 131 | 0.6 | -129 | 122.6 | -149.7 | 0 | 0 | 105.8 | ||||
| 2882 | D | 40.1 | Very low | 38.8 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | 76.6 | 139.2 | 75.1 | -64.6 | -26.9 | 0 | 0 | 0 | 114.8 | K2880 | K2880-D2882 IonicContact NZ-OD2 3.47Å; K2880-D2882 PolarHBondContact NZ-OD2 2.96Å | |||
| 2883 | D | 34.2 | Very low | 38.8 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -67.3 | 157.9 | -167.3 | -49.5 | -74.8 | 0 | 0 | 0 | 116.1 | ||||
| 2884 | T | 37.8 | Very low | 38.7 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | -179.5 | 162.5 | 109.7 | 26 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2885 | V | 35.2 | Very low | 38.6 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -72 | 143.6 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2886 | I | 36.1 | Very low | 38.7 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -156.9 | 142.7 | 143.5 | -99.4 | 144.4 | 0 | 0 | 0 | 109.2 | ||||
| 2887 | S | 33.8 | Very low | 38.6 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -105.6 | 118.2 | 169.2 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2888 | E | 38.1 | Very low | 38.4 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -162.4 | 174.2 | 148.4 | -122.1 | 170.3 | -167.1 | 0 | 0 | 113.4 | ||||
| 2889 | S | 36.5 | Very low | 37.9 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -94.1 | 179.7 | -162 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2890 | V | 38.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 89.2 | 86.4 | 162 | -168.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2891 | K | 39.4 | Very low | 37.4 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | 72.1 | 144.4 | 111.9 | -157.7 | 178.5 | -173.1 | 177.3 | 0 | 120.3 | |||||
| 2892 | S | 38.6 | Very low | 37.2 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | 94 | 91.3 | 156.1 | -161.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2893 | I | 36.5 | Very low | 37.1 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | 46.2 | 115.8 | 126.4 | -53 | 157.9 | 0 | 0 | 0 | 118.3 | |||||
| 2894 | M | 38.4 | Very low | 37.2 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | -164.8 | 124.5 | 129 | -122.2 | 178 | 167.1 | 0 | 0 | 112.7 | |||||
| 2895 | D | 36.1 | Very low | 37.3 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -100.8 | 142.2 | 173.8 | -53.2 | -77.3 | 0 | 0 | 0 | 111.2 | ||||
| 2896 | A | 39.2 | Very low | 37.5 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -179.3 | 106 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2897 | E | 38 | Very low | 37.8 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | 82.3 | 117.3 | 88.3 | -80.9 | -167.3 | 168.6 | 0 | 0 | 116.3 | |||||
| 2898 | S | 36.7 | Very low | 38 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -158.1 | 80.4 | 148.7 | 66.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2899 | S | 37.1 | Very low | 38.1 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 77.9 | 94.9 | 81.9 | 74.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2900 | I | 37.2 | Very low | 38.4 | Very low | 166 Ų | 166 | 133 Ų | 133 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -127.4 | 81.2 | 155.4 | -56.6 | -175.3 | 0 | 0 | 0 | 110.3 | ||||
| 2901 | V | 37.2 | Very low | 38.5 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 44.7 | 99.9 | 131 | -173.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2902 | S | 35.9 | Very low | 38.3 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | -178.3 | 117.6 | 113 | -79.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2903 | S | 37.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 41.4 | 129.1 | 126.4 | -52.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 2904 | A | 37.8 | Very low | 38.5 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | cis | -170.7 | 155 | 5.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2905 | Q | 38.4 | Very low | 38.5 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 62.4 | 143.1 | 142.7 | -77.9 | -161.1 | -89.7 | 0 | 0 | 122.4 | ||||
| 2906 | T | 38.9 | Very low | 38.3 | Very low | 91 Ų | 91 | 128 Ų | 128 | 56% | 0.558 | 77% | 0.774 | S | S | * | * | cis | -171.7 | 153.6 | -27.7 | 10.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2907 | N | 43.2 | Very low | 38.3 | Very low | 139 Ų | 139 | 129 Ų | 129 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 70.8 | 157.1 | 156.7 | -51.9 | -20.3 | 0 | 0 | 0 | 119.8 | ||||
| 2908 | Q | 38.7 | Very low | 38.3 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | 178.4 | 157.8 | -53.4 | -108 | -171.2 | 7.6 | 0 | 0 | 110.9 | |||||
| 2909 | T | 40.3 | Very low | 38.4 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 72.9 | 131 | 155 | 21.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 2910 | A | 42.6 | Very low | 38.5 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 72.3 | 153.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2911 | D | 39.6 | Very low | 38.6 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -145 | 179.3 | 9.4 | -152.5 | -9 | 0 | 0 | 0 | 112.9 | ||||
| 2912 | C | 36.7 | Very low | 38.7 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -71.4 | 159.5 | -173.2 | -60 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2913 | G | 41.3 | Very low | 38.9 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | trans | 174.8 | 107.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2914 | E | 38.2 | Very low | 38.9 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | -97.3 | 133.4 | 179.4 | -178.4 | -175.8 | -155 | 0 | 0 | 111.4 | ||||
| 2915 | L | 36.7 | Very low | 39.2 | Very low | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 160.3 | 113.8 | 135.7 | -86.7 | 164.7 | 0 | 0 | 0 | 114.2 | ||||
| 2916 | T | 33.4 | Very low | 39.2 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | 22.3 | 143.7 | 139.4 | 62.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2917 | T | 38.1 | Very low | 39.4 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 107.2 | 93.6 | 142.8 | -49.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2918 | E | 38.3 | Very low | 39.3 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 73.5 | 152.3 | 135.9 | -68.9 | -179.9 | 171.1 | 0 | 0 | 124.1 | ||||
| 2919 | E | 39.1 | Very low | 39.7 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | 69.8 | 119.9 | 153.5 | -78.8 | -162.4 | 162.6 | 0 | 0 | 123.9 | ||||
| 2920 | S | 39.4 | Very low | 39.8 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | 79.2 | 79.8 | 123.8 | -59.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 2921 | S | 38.6 | Very low | 39.4 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 85.9 | 157.9 | 113.2 | 82.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 2922 | S | 40.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | 91.1 | 107.7 | 147 | 76.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 2923 | T | 39.6 | Very low | 40.6 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | 69.3 | 111.6 | 133.2 | 53.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2924 | N | 38.1 | Very low | 40.6 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | 60.8 | 121.5 | 120.2 | -51.6 | -3.2 | 0 | 0 | 0 | 119.6 | |||||
| 2925 | K | 43.1 | Very low | 40.7 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -163.2 | 146.6 | 95.8 | -100.4 | 148.8 | -171 | 168 | 0 | 113.8 | |||||
| 2926 | N | 40.1 | Very low | 40.9 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -63.9 | 154.6 | 173.7 | -41.6 | -9.6 | 0 | 0 | 0 | 110.8 | ||||
| 2927 | L | 42.2 | Very low | 41.3 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | -145 | 138 | 121.2 | -140.7 | 79.9 | 0 | 0 | 0 | 111.6 | |||||
| 2928 | E | 42 | Very low | 41.5 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -94.8 | 138.9 | -179.9 | 159 | -168.6 | -152.9 | 0 | 0 | 109.3 | ||||
| 2929 | V | 46.4 | Very low | 41.7 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -150.2 | 134.2 | 151.1 | 153.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2930 | S | 42 | Very low | 41.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -21.6 | 147.5 | 171 | -47.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2931 | S | 34.3 | Very low | 42.1 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -72.8 | 162.4 | 158.5 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2932 | P | 59.4 | Low | 42.3 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -100.8 | 154.1 | 151.6 | 36.6 | -28.7 | 0 | 0 | 0 | 111.4 | ||||
| 2933 | S | 42.8 | Very low | 42.5 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | trans | -108 | 142.4 | 172.2 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2934 | E | 39.9 | Very low | 42.8 | Very low | 275 Ų | 275 | 154.7 Ų | 154.7 | 100% | 1.285 | 85% | 0.851 | S | S | * | * | trans | -119.2 | 0 | 132.5 | -73 | -164.6 | 126.8 | 0 | 0 | 108.2 |
Retrieved 2,934 of 2,934 residues in 2404.4 ms
(Link to these results)