| 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 | 31.8 | Very low | 72.5 | Confident | 242 Ų | 242 | 92.9 Ų | 92.9 | 100% | 1.192 | 58% | 0.578 | S | S | * | * | 0 | 133.3 | 0 | -71.2 | 174.9 | 170.5 | 0 | 0 | 107.9 | |||||
| 2 | S | 34.9 | Very low | 74.4 | Confident | 119 Ų | 119 | 89.2 Ų | 89.2 | 83% | 0.832 | 56% | 0.555 | S | S | * | * | trans | -105.4 | 92.5 | 170.3 | 54 | 0 | 0 | 0 | 0 | 109 | S4 | S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact O-N 3.17Å | ||
| 3 | T | 39.8 | Very low | 76.2 | Confident | 137 Ų | 137 | 88.4 Ų | 88.4 | 84% | 0.84 | 54% | 0.543 | S | S | * | . | trans | -68.7 | 95.6 | 162.8 | 45.2 | 0 | 0 | 0 | 0 | 107.1 | S5 | T3-S5 PolarHBondContact O-N 2.93Å; T3-S5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | S | 57.6 | Low | 77.5 | Confident | 98 Ų | 98 | 82.9 Ų | 82.9 | 69% | 0.685 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 117.8 | 177.8 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | S2 D6 | S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact O-N 3.17Å; S4-D6 PolarHBondContact O-N 3.3Å |
| 5 | S | 77.6 | Confident | 78.7 | Confident | 106 Ų | 106 | 83.6 Ų | 83.6 | 74% | 0.741 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 133.8 | 165.9 | 50 | 0 | 0 | 0 | 0 | 109.5 | T3 | T3-S5 PolarHBondContact O-N 2.93Å; T3-S5 VanDerWaalsContact O-N 3.16Å |
| 6 | D | 87.3 | Confident | 79.7 | Confident | 61 Ų | 61 | 90 Ų | 90 | 33% | 0.326 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 139.6 | 168.1 | -81.1 | 14.7 | 0 | 0 | 0 | 111.1 | S4 V8 K23 Y33 | S4-D6 PolarHBondContact O-N 3.3Å; D6-V8 PolarHBondContact O-N 3.49Å; D6-K23 IonicContact OD1-NZ 3.65Å; D6-K23 PolarHBondContact OD1-NZ 3.08Å; D6-K23 IonicContact OD2-NZ 3.67Å; D6-Y33 WeakPolarHBondContact CB-OH 3.1Å; D6-Y33 PolarHBondContact OD2-OH 3Å |
| 7 | I | 90.7 | Very high | 80.7 | Confident | 48 Ų | 48 | 88.9 Ų | 88.9 | 25% | 0.246 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -63.7 | -33.1 | -179.9 | -60.9 | 170.2 | 0 | 0 | 0 | 110.3 | E31 V48 F86 | I7-E31 VanDerWaalsContact CB-OE2 3.28Å; I7-E31 WeakPolarHBondContact CB-OE2 3.09Å; I7-E31 HydrophobicContact CD1-CB 4.49Å; I7-E31 HydrophobicContact CD1-CG 3.87Å; I7-E31 HydrophobicContact CG1-CG 4.3Å; I7-E31 VanDerWaalsContact CG1-OE2 3.31Å; I7-E31 WeakPolarHBondContact CG1-OE2 3.43Å; I7-E31 PolarHBondContact N-OE2 2.85Å; I7-V48 HydrophobicContact CB-CG2 4.25Å; I7-V48 HydrophobicContact CD1-CG2 4.49Å; I7-V48 HydrophobicContact CG2-CG2 4.28Å; I7-F86 HydrophobicContact CG2-CB 4.05Å |
| 8 | V | 93.2 | Very high | 81.6 | Confident | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.012 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -133.1 | 118.9 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | D6 T12 F20 Y33 V48 F86 | D6-V8 PolarHBondContact O-N 3.49Å; V8-T12 HydrophobicContact CG1-CG2 3.85Å; V8-F20 HydrophobicContact CB-CD1 3.86Å; V8-F20 HydrophobicContact CB-CE1 3.58Å; V8-F20 HydrophobicContact CB-CZ 4.14Å; V8-F20 HydrophobicContact CG1-CD1 3.56Å; V8-F20 HydrophobicContact CG1-CD2 4.12Å; V8-F20 HydrophobicContact CG1-CE1 3.55Å; V8-F20 HydrophobicContact CG1-CE2 4.11Å; V8-F20 HydrophobicContact CG1-CG 3.88Å; V8-F20 HydrophobicContact CG1-CZ 3.83Å; V8-F20 HydrophobicContact CG2-CE1 3.95Å; V8-F20 HydrophobicContact CG2-CZ 4.14Å; V8-Y33 PolarHBondContact O-OH 2.87Å; V8-V48 HydrophobicContact CG2-CG1 4.27Å; V8-V48 HydrophobicContact CG2-CG2 4.3Å; V8-F86 HydrophobicContact CG2-CD1 3.87Å; V8-F86 HydrophobicContact CG2-CD2 4.4Å; V8-F86 HydrophobicContact CG2-CE1 3.75Å; V8-F86 HydrophobicContact CG2-CE2 4.28Å; V8-F86 HydrophobicContact CG2-CG 4.22Å; V8-F86 HydrophobicContact CG2-CZ 3.96Å |
| 9 | P | 93.7 | Very high | 82.5 | Confident | 82 Ų | 82 | 85.5 Ų | 85.5 | 53% | 0.532 | 48% | 0.478 | S | S | . | . | trans | -60.9 | 143.3 | 175.9 | -25 | 34.7 | 0 | 0 | 0 | 113.1 | G11 T12 | P9-G11 PolarHBondContact O-N 2.83Å; P9-T12 VanDerWaalsContact O-CB 3.26Å; P9-T12 WeakPolarHBondContact O-CB 3.27Å; P9-T12 PolarHBondContact O-N 3.19Å; P9-T12 PolarHBondContact O-OG1 3.19Å | ||
| 10 | V | 95.1 | Very high | 83.2 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 137.9 | 169.1 | 168.9 | 0 | 0 | 0 | 0 | 109.9 | C21 | V10-C21 WeakPolarHBondContact CG1-O 3.42Š|
| 11 | G | 95.3 | Very high | 83.9 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 44% | 0.443 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | -22.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P9 F20 | P9-G11 PolarHBondContact O-N 2.83Å; G11-F20 WeakPolarHBondContact CA-O 3.22Å; G11-F20 PolarHBondContact N-O 2.72Å |
| 12 | T | 96.2 | Very high | 87 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | trans | -56.9 | 137.5 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | V8 P9 I14 R19 F20 | V8-T12 HydrophobicContact CG1-CG2 3.85Å; P9-T12 VanDerWaalsContact O-CB 3.26Å; P9-T12 WeakPolarHBondContact O-CB 3.27Å; P9-T12 PolarHBondContact O-N 3.19Å; P9-T12 PolarHBondContact O-OG1 3.19Å; T12-I14 HydrophobicContact CG2-CG2 4.33Å; T12-R19 CarbonylContact O-C 3.53Å; T12-R19 WeakPolarHBondContact O-CA 3.3Å; T12-F20 WeakPolarHBondContact O-CD2 3.22Å; T12-F20 PolarHBondContact O-N 2.84Å | ||
| 13 | I | 96.7 | Very high | 89.9 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125 | 174.8 | -52.1 | 179.4 | 0 | 0 | 0 | 109 | W18 R19 | I13-W18 WeakPolarHBondContact CA-O 3.47Å; I13-R19 HydrophobicContact CG1-CB 3.97Å; I13-R19 HydrophobicContact CG1-CG 4.01Å |
| 14 | I | 95.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.8 | 177.8 | 69.3 | 168.7 | 0 | 0 | 0 | 111.7 | T12 E16 R17 W18 F20 V46 F86 F88 | T12-I14 HydrophobicContact CG2-CG2 4.33Å; I14-E16 PolarHBondContact O-N 2.84Å; I14-E16 VanDerWaalsContact O-N 3.13Å; I14-R17 PolarHBondContact O-N 3.38Å; I14-W18 HydrophobicContact CD1-CE3 4.42Å; I14-W18 HydrophobicContact CG1-CB 3.91Å; I14-W18 HydrophobicContact CG1-CE3 4.17Å; I14-W18 PolarHBondContact N-O 2.95Å; I14-W18 PolarHBondContact O-N 2.84Å; I14-W18 VanDerWaalsContact O-N 3.08Å; I14-F20 HydrophobicContact CB-CE2 4.42Å; I14-F20 HydrophobicContact CD1-CE2 3.78Å; I14-F20 HydrophobicContact CD1-CZ 4.24Å; I14-F20 HydrophobicContact CG1-CE2 3.89Å; I14-F20 HydrophobicContact CG2-CD2 4.38Å; I14-F20 HydrophobicContact CG2-CE2 3.68Å; I14-F20 HydrophobicContact CG2-CZ 4.41Å; I14-V46 HydrophobicContact CD1-CG1 4.19Å; I14-F86 HydrophobicContact CG2-CE2 4.16Å; I14-F86 HydrophobicContact CG2-CZ 3.77Å; I14-F88 HydrophobicContact CD1-CB 4.42Å; I14-F88 HydrophobicContact CD1-CD1 4.02Å; I14-F88 HydrophobicContact CD1-CD2 3.53Å; I14-F88 HydrophobicContact CD1-CE1 4.07Å; I14-F88 HydrophobicContact CD1-CE2 3.59Å; I14-F88 HydrophobicContact CD1-CG 3.74Å; I14-F88 HydrophobicContact CD1-CZ 3.85Å |
| 15 | K | 94.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 62.9 Ų | 62.9 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 40.2 | -174.1 | -68 | -168.9 | 176.4 | 174.9 | 0 | 112.9 | R17 W18 C80 F88 F699 | K15-R17 VanDerWaalsContact O-CB 3.32Å; K15-R17 WeakPolarHBondContact O-CB 3.05Å; K15-R17 PolarHBondContact O-N 3.49Å; K15-W18 HydrophobicContact CB-CZ3 4.38Å; K15-W18 HydrophobicContact CD-CZ3 4.43Å; K15-C80 PolarHBondContact NZ-O 2.97Å; K15-F88 HydrophobicContact CD-CZ 3.85Å; K15-F88 HydrophobicContact CG-CZ 4.07Å; K15-F699 HydrophobicContact CD-CZ 4.41Å |
| 16 | E | 94.4 | Very high | 94.5 | Very high | 186 Ų | 186 | 60.1 Ų | 60.1 | 87% | 0.869 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 7.7 | -177.8 | -59 | 178.6 | 171.9 | 0 | 0 | 115.5 | I14 | I14-E16 PolarHBondContact O-N 2.84Å; I14-E16 VanDerWaalsContact O-N 3.13Å |
| 17 | R | 97.2 | Very high | 94.2 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -43.3 | -163.8 | -179.4 | 173.1 | 176.3 | 178.2 | -6.6 | 114.2 | I14 K15 D37 M38 I39 | I14-R17 PolarHBondContact O-N 3.38Å; K15-R17 VanDerWaalsContact O-CB 3.32Å; K15-R17 WeakPolarHBondContact O-CB 3.05Å; K15-R17 PolarHBondContact O-N 3.49Å; R17-D37 VanDerWaalsContact CG-OD1 3.25Å; R17-D37 WeakPolarHBondContact CG-OD1 3.45Å; R17-D37 IonicContact CZ-OD1 3.02Å; R17-D37 IonicContact CZ-OD2 3.6Å; R17-D37 IonicContact NE-OD1 2.73Å; R17-D37 PolarHBondContact NE-OD1 3.48Å; R17-D37 IonicContact NE-OD2 3.35Å; R17-D37 PolarHBondContact NE-OD2 3.36Å; R17-D37 IonicContact NH2-OD1 3.56Å; R17-D37 IonicContact NH2-OD2 2.66Å; R17-D37 PolarHBondContact NH2-OD2 2.68Å; R17-M38 VanDerWaalsContact O-CB 3.29Å; R17-M38 WeakPolarHBondContact O-CB 3.32Å; R17-M38 VanDerWaalsContact O-CG 3.3Å; R17-M38 WeakPolarHBondContact O-CG 3.22Å; R17-M38 PolarHBondContact O-N 2.9Å; R17-I39 HydrophobicContact CG-CD1 3.98Å; R17-I39 HydrophobicContact CG-CG1 4.09Å |
| 18 | W | 97.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 107.6 | -172.6 | -60.9 | -68.7 | 0 | 0 | 0 | 111 | I13 I14 K15 V36 D37 I78 F88 V90 | I13-W18 WeakPolarHBondContact CA-O 3.47Å; I14-W18 HydrophobicContact CD1-CE3 4.42Å; I14-W18 HydrophobicContact CG1-CB 3.91Å; I14-W18 HydrophobicContact CG1-CE3 4.17Å; I14-W18 PolarHBondContact N-O 2.95Å; I14-W18 PolarHBondContact O-N 2.84Å; I14-W18 VanDerWaalsContact O-N 3.08Å; K15-W18 HydrophobicContact CB-CZ3 4.38Å; K15-W18 HydrophobicContact CD-CZ3 4.43Å; W18-V36 WeakPolarHBondContact CA-O 3.38Å; W18-D37 VanDerWaalsContact NE1-CG 3.34Å; W18-D37 PolarHBondContact NE1-OD2 2.75Å; W18-I78 HydrophobicContact CZ2-CG2 4.09Å; W18-F88 HydrophobicContact CE3-CE2 4.26Å; W18-F88 HydrophobicContact CZ3-CE2 4.02Å; W18-F88 HydrophobicContact CZ3-CZ 4.48Å; W18-V90 HydrophobicContact CD2-CG1 4.32Å; W18-V90 HydrophobicContact CD2-CG2 3.86Å; W18-V90 HydrophobicContact CE3-CG2 3.93Å; W18-V90 HydrophobicContact CG-CG1 4.39Å; W18-V90 HydrophobicContact CG-CG2 4.4Å; W18-V90 HydrophobicContact CH2-CG2 4.24Å; W18-V90 HydrophobicContact CZ2-CB 4.39Å; W18-V90 HydrophobicContact CZ2-CG1 4.36Å; W18-V90 HydrophobicContact CZ2-CG2 4.19Å; W18-V90 HydrophobicContact CZ3-CG2 4.12Å |
| 19 | R | 97.9 | Very high | 92.9 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.3 | 177.6 | -177.9 | -174.7 | -69.6 | 151.1 | -4.3 | 110.1 | T12 I13 C21 A35 V36 M38 | T12-R19 CarbonylContact O-C 3.53Å; T12-R19 WeakPolarHBondContact O-CA 3.3Å; I13-R19 HydrophobicContact CG1-CB 3.97Å; I13-R19 HydrophobicContact CG1-CG 4.01Å; R19-C21 PolarHBondContact O-N 2.9Å; R19-C21 PolarHBondContact O-SG 2.94Å; R19-C21 VanDerWaalsContact O-SG 3.38Å; R19-A35 CarbonylContact O-C 3.52Å; R19-A35 WeakPolarHBondContact O-CA 3.29Å; R19-A35 WeakPolarHBondContact O-CB 3.35Å; R19-V36 PolarHBondContact N-O 2.62Å; R19-V36 PolarHBondContact O-N 2.75Å; R19-M38 HydrophobicContact CB-CG 4.4Å; R19-M38 HydrophobicContact CB-SD 4.19Å; R19-M38 VanDerWaalsContact CZ-SD 3.53Å |
| 20 | F | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127 | 177.5 | -77.5 | -124.5 | 0 | 0 | 0 | 110 | V8 G11 T12 I14 Y33 V46 V48 | V8-F20 HydrophobicContact CB-CD1 3.86Å; V8-F20 HydrophobicContact CB-CE1 3.58Å; V8-F20 HydrophobicContact CB-CZ 4.14Å; V8-F20 HydrophobicContact CG1-CD1 3.56Å; V8-F20 HydrophobicContact CG1-CD2 4.12Å; V8-F20 HydrophobicContact CG1-CE1 3.55Å; V8-F20 HydrophobicContact CG1-CE2 4.11Å; V8-F20 HydrophobicContact CG1-CG 3.88Å; V8-F20 HydrophobicContact CG1-CZ 3.83Å; V8-F20 HydrophobicContact CG2-CE1 3.95Å; V8-F20 HydrophobicContact CG2-CZ 4.14Å; G11-F20 WeakPolarHBondContact CA-O 3.22Å; G11-F20 PolarHBondContact N-O 2.72Å; T12-F20 WeakPolarHBondContact O-CD2 3.22Å; T12-F20 PolarHBondContact O-N 2.84Å; I14-F20 HydrophobicContact CB-CE2 4.42Å; I14-F20 HydrophobicContact CD1-CE2 3.78Å; I14-F20 HydrophobicContact CD1-CZ 4.24Å; I14-F20 HydrophobicContact CG1-CE2 3.89Å; I14-F20 HydrophobicContact CG2-CD2 4.38Å; I14-F20 HydrophobicContact CG2-CE2 3.68Å; I14-F20 HydrophobicContact CG2-CZ 4.41Å; F20-Y33 AromaticContact CD1-CD1 3.67Å; F20-Y33 HydrophobicContact CD1-CD1 3.67Å; F20-Y33 AromaticContact CD1-CD2 3.72Å; F20-Y33 HydrophobicContact CD1-CD2 3.72Å; F20-Y33 HydrophobicContact CD1-CE1 4.17Å; F20-Y33 HydrophobicContact CD1-CE2 4.22Å; F20-Y33 AromaticContact CD1-CG 3.43Å; F20-Y33 HydrophobicContact CD1-CG 3.43Å; F20-Y33 VanDerWaalsContact CD1-CG 3.43Å; F20-Y33 HydrophobicContact CE1-CD1 4.34Å; F20-Y33 AromaticContact CE1-CD2 3.51Å; F20-Y33 HydrophobicContact CE1-CD2 3.51Å; F20-Y33 HydrophobicContact CE1-CE2 4.02Å; F20-Y33 AromaticContact CE1-CG 3.71Å; F20-Y33 HydrophobicContact CE1-CG 3.71Å; F20-V46 HydrophobicContact CE1-CG1 4.29Å; F20-V46 HydrophobicContact CE2-CG1 4.05Å; F20-V46 HydrophobicContact CZ-CB 4.24Å; F20-V46 HydrophobicContact CZ-CG1 3.57Å; F20-V48 HydrophobicContact CE1-CG1 4.08Å; F20-V48 HydrophobicContact CZ-CG1 3.88Å |
| 21 | C | 96.7 | Very high | 92.7 | Very high | 38 Ų | 38 | 57.9 Ų | 57.9 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -50.2 | -173.3 | -67.1 | 0 | 0 | 0 | 0 | 113.1 | V10 R19 E34 | V10-C21 WeakPolarHBondContact CG1-O 3.42Å; R19-C21 PolarHBondContact O-N 2.9Å; R19-C21 PolarHBondContact O-SG 2.94Å; R19-C21 VanDerWaalsContact O-SG 3.38Å; C21-E34 WeakPolarHBondContact CA-O 3.4Å; C21-E34 WeakPolarHBondContact CB-O 3.19Å; C21-E34 PolarHBondContact N-O 3.04Å |
| 22 | T | 96.7 | Very high | 92.8 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.8 | 175.2 | 58.1 | 0 | 0 | 0 | 0 | 111 | Y33 E34 | T22-Y33 CarbonylContact O-C 3.47Å; T22-Y33 WeakPolarHBondContact O-CA 3.2Å; T22-E34 PolarHBondContact N-O 3.39Å; T22-E34 PolarHBondContact O-N 2.76Å |
| 23 | K | 96.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 117.5 | 170.7 | -164.1 | -178 | -159.5 | 174.8 | 0 | 108.8 | D6 E31 Y33 | D6-K23 IonicContact OD1-NZ 3.65Å; D6-K23 PolarHBondContact OD1-NZ 3.08Å; D6-K23 IonicContact OD2-NZ 3.67Å; K23-E31 VanDerWaalsContact CE-OE1 3.29Å; K23-E31 WeakPolarHBondContact CE-OE1 3.26Å; K23-E31 VanDerWaalsContact NZ-CD 3.28Å; K23-E31 IonicContact NZ-OE1 3.95Å; K23-E31 PolarHBondContact NZ-OE1 3Å; K23-E31 IonicContact NZ-OE2 2.83Å; K23-Y33 HydrophobicContact CB-CD1 3.9Å; K23-Y33 HydrophobicContact CB-CE1 3.63Å; K23-Y33 HydrophobicContact CD-CE1 4.39Å; K23-Y33 HydrophobicContact CG-CD1 4.23Å; K23-Y33 HydrophobicContact CG-CE1 3.79Å; K23-Y33 HydrophobicContact CG-CE2 4.49Å |
| 24 | I | 95.1 | Very high | 92.9 | Very high | 83 Ų | 83 | 53.6 Ų | 53.6 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -6.8 | -178.9 | 65 | 178.1 | 0 | 0 | 0 | 112.9 | I32 E34 L93 | I24-I32 HydrophobicContact CD1-CG1 4.19Å; I24-I32 HydrophobicContact CG1-CB 4.49Å; I24-I32 HydrophobicContact CG1-CG1 4.06Å; I24-I32 HydrophobicContact CG1-CG2 4.15Å; I24-I32 WeakPolarHBondContact CG1-O 3.39Å; I24-I32 PolarHBondContact N-O 2.86Å; I24-E34 HydrophobicContact CG2-CB 3.87Å; I24-L93 HydrophobicContact CD1-CD1 3.73Å |
| 25 | G | 91 | Very high | 93 | Very high | 28 Ų | 28 | 53 Ų | 53 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I32 | G25-I32 PolarHBondContact N-O 3.05Å; G25-I32 PolarHBondContact O-N 3.13Å |
| 26 | G | 85.8 | Confident | 93.2 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176 | 173.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G30 | G26-G30 CarbonylContact C-O 3.55Å; G26-G30 WeakPolarHBondContact CA-O 3.45Å |
| 27 | G | 80.2 | Confident | 93.3 | Very high | 46 Ų | 46 | 41 Ų | 41 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -167.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F29 G30 | G27-F29 PolarHBondContact O-N 3Å; G27-G30 PolarHBondContact N-O 3.11Å; G27-G30 PolarHBondContact O-N 2.79Å |
| 28 | G | 76.5 | Confident | 93.2 | Very high | 75 Ų | 75 | 40.1 Ų | 40.1 | 77% | 0.773 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -3.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 29 | F | 80.6 | Confident | 93.1 | Very high | 85 Ų | 85 | 45.6 Ų | 45.6 | 37% | 0.373 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 11.9 | 175.5 | -57 | -57.2 | 0 | 0 | 0 | 113.2 | G27 V57 L167 | G27-F29 PolarHBondContact O-N 3Å; F29-V57 HydrophobicContact CB-CG2 4.2Å; F29-L167 HydrophobicContact CE2-CD2 4.13Å |
| 30 | G | 90.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.9 | -171.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | G26 G27 V48 | G26-G30 CarbonylContact C-O 3.55Å; G26-G30 WeakPolarHBondContact CA-O 3.45Å; G27-G30 PolarHBondContact N-O 3.11Å; G27-G30 PolarHBondContact O-N 2.79Å; G30-V48 CarbonylContact C-O 2.71Å; G30-V48 WeakPolarHBondContact CA-O 3.43Å |
| 31 | E | 95.2 | Very high | 92.7 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.9 | -165 | -61.5 | 179.6 | 149.1 | 0 | 0 | 110.4 | I7 K23 Y33 K47 V48 | I7-E31 VanDerWaalsContact CB-OE2 3.28Å; I7-E31 WeakPolarHBondContact CB-OE2 3.09Å; I7-E31 HydrophobicContact CD1-CB 4.49Å; I7-E31 HydrophobicContact CD1-CG 3.87Å; I7-E31 HydrophobicContact CG1-CG 4.3Å; I7-E31 VanDerWaalsContact CG1-OE2 3.31Å; I7-E31 WeakPolarHBondContact CG1-OE2 3.43Å; I7-E31 PolarHBondContact N-OE2 2.85Å; K23-E31 VanDerWaalsContact CE-OE1 3.29Å; K23-E31 WeakPolarHBondContact CE-OE1 3.26Å; K23-E31 VanDerWaalsContact NZ-CD 3.28Å; K23-E31 IonicContact NZ-OE1 3.95Å; K23-E31 PolarHBondContact NZ-OE1 3Å; K23-E31 IonicContact NZ-OE2 2.83Å; E31-Y33 HydrophobicContact CB-CD2 4.44Å; E31-Y33 HydrophobicContact CB-CE2 3.66Å; E31-Y33 PolarHBondContact OE2-OH 3.34Å; E31-K47 CarbonylContact O-C 3.49Å; E31-K47 VanDerWaalsContact O-CA 3.31Å; E31-K47 WeakPolarHBondContact O-CA 3.48Å; E31-K47 WeakPolarHBondContact O-CG 3.17Å; E31-V48 HydrophobicContact CB-CG2 3.99Å; E31-V48 PolarHBondContact N-O 3.4Å; E31-V48 PolarHBondContact O-N 3.16Å |
| 32 | I | 96.6 | Very high | 92.6 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.3 | -179.9 | -174.5 | 170.6 | 0 | 0 | 0 | 110.7 | I24 G25 A45 V46 K47 | I24-I32 HydrophobicContact CD1-CG1 4.19Å; I24-I32 HydrophobicContact CG1-CB 4.49Å; I24-I32 HydrophobicContact CG1-CG1 4.06Å; I24-I32 HydrophobicContact CG1-CG2 4.15Å; I24-I32 WeakPolarHBondContact CG1-O 3.39Å; I24-I32 PolarHBondContact N-O 2.86Å; G25-I32 PolarHBondContact N-O 3.05Å; G25-I32 PolarHBondContact O-N 3.13Å; I32-A45 HydrophobicContact CD1-CB 4.4Å; I32-V46 WeakPolarHBondContact CA-O 3.34Å; I32-K47 HydrophobicContact CB-CB 4.32Å; I32-K47 HydrophobicContact CB-CG 4.27Å; I32-K47 HydrophobicContact CD1-CB 4.41Å; I32-K47 HydrophobicContact CG1-CB 4.24Å |
| 33 | Y | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.9 | -171.7 | -67.2 | -96.4 | 0 | 0 | 0 | 110.9 | D6 V8 F20 T22 K23 E31 A45 V46 V48 | D6-Y33 WeakPolarHBondContact CB-OH 3.1Å; D6-Y33 PolarHBondContact OD2-OH 3Å; V8-Y33 PolarHBondContact O-OH 2.87Å; F20-Y33 AromaticContact CD1-CD1 3.67Å; F20-Y33 HydrophobicContact CD1-CD1 3.67Å; F20-Y33 AromaticContact CD1-CD2 3.72Å; F20-Y33 HydrophobicContact CD1-CD2 3.72Å; F20-Y33 HydrophobicContact CD1-CE1 4.17Å; F20-Y33 HydrophobicContact CD1-CE2 4.22Å; F20-Y33 AromaticContact CD1-CG 3.43Å; F20-Y33 HydrophobicContact CD1-CG 3.43Å; F20-Y33 VanDerWaalsContact CD1-CG 3.43Å; F20-Y33 HydrophobicContact CE1-CD1 4.34Å; F20-Y33 AromaticContact CE1-CD2 3.51Å; F20-Y33 HydrophobicContact CE1-CD2 3.51Å; F20-Y33 HydrophobicContact CE1-CE2 4.02Å; F20-Y33 AromaticContact CE1-CG 3.71Å; F20-Y33 HydrophobicContact CE1-CG 3.71Å; T22-Y33 CarbonylContact O-C 3.47Å; T22-Y33 WeakPolarHBondContact O-CA 3.2Å; K23-Y33 HydrophobicContact CB-CD1 3.9Å; K23-Y33 HydrophobicContact CB-CE1 3.63Å; K23-Y33 HydrophobicContact CD-CE1 4.39Å; K23-Y33 HydrophobicContact CG-CD1 4.23Å; K23-Y33 HydrophobicContact CG-CE1 3.79Å; K23-Y33 HydrophobicContact CG-CE2 4.49Å; E31-Y33 HydrophobicContact CB-CD2 4.44Å; E31-Y33 HydrophobicContact CB-CE2 3.66Å; E31-Y33 PolarHBondContact OE2-OH 3.34Å; Y33-A45 WeakPolarHBondContact O-CA 3.48Å; Y33-V46 PolarHBondContact N-O 2.83Å; Y33-V46 PolarHBondContact O-N 3.36Å; Y33-V48 HydrophobicContact CD2-CG2 4.34Å; Y33-V48 HydrophobicContact CE2-CG2 3.96Å |
| 34 | E | 97.3 | Very high | 92.6 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.1 | 153.1 | -178.7 | -175.9 | 93.3 | 0 | 0 | 108 | C21 T22 I24 K43 L93 | C21-E34 WeakPolarHBondContact CA-O 3.4Å; C21-E34 WeakPolarHBondContact CB-O 3.19Å; C21-E34 PolarHBondContact N-O 3.04Å; T22-E34 PolarHBondContact N-O 3.39Å; T22-E34 PolarHBondContact O-N 2.76Å; I24-E34 HydrophobicContact CG2-CB 3.87Å; E34-K43 VanDerWaalsContact CD-CE 3.46Å; E34-K43 HydrophobicContact CG-CD 4.29Å; E34-K43 HydrophobicContact CG-CG 4.44Å; E34-K43 WeakPolarHBondContact OE1-CE 3.43Å; E34-K43 IonicContact OE1-NZ 2.75Å; E34-K43 PolarHBondContact OE1-NZ 2.93Å; E34-K43 WeakPolarHBondContact OE2-CD 3.23Å; E34-K43 WeakPolarHBondContact OE2-CE 3.29Å; E34-K43 IonicContact OE2-NZ 2.75Å; E34-K43 PolarHBondContact OE2-NZ 3.26Å; E34-L93 HydrophobicContact CG-CD2 4.05Å |
| 35 | A | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 159.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R19 K43 V44 V46 | R19-A35 CarbonylContact O-C 3.52Å; R19-A35 WeakPolarHBondContact O-CA 3.29Å; R19-A35 WeakPolarHBondContact O-CB 3.35Å; A35-K43 CarbonylContact O-C 3.15Å; A35-K43 WeakPolarHBondContact O-CA 3.35Å; A35-V44 HydrophobicContact CB-CG2 4.07Å; A35-V44 PolarHBondContact N-O 2.71Å; A35-V44 PolarHBondContact O-N 3.13Å; A35-V46 HydrophobicContact CB-CB 4.49Å; A35-V46 HydrophobicContact CB-CG2 3.57Å |
| 36 | V | 97.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.7 | 168 | 172.6 | 0 | 0 | 0 | 0 | 109.4 | W18 R19 M38 Q42 K43 | W18-V36 WeakPolarHBondContact CA-O 3.38Å; R19-V36 PolarHBondContact N-O 2.62Å; R19-V36 PolarHBondContact O-N 2.75Å; V36-M38 HydrophobicContact CG1-SD 4.38Å; V36-M38 PolarHBondContact O-N 3.03Å; V36-Q42 WeakPolarHBondContact CA-O 3.48Å; V36-K43 HydrophobicContact CG2-CG 4.39Å |
| 37 | D | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 102.2 | 169.1 | -176.3 | -14.3 | 0 | 0 | 0 | 109.1 | R17 W18 I39 N40 Q41 Q42 V44 | R17-D37 VanDerWaalsContact CG-OD1 3.25Å; R17-D37 WeakPolarHBondContact CG-OD1 3.45Å; R17-D37 IonicContact CZ-OD1 3.02Å; R17-D37 IonicContact CZ-OD2 3.6Å; R17-D37 IonicContact NE-OD1 2.73Å; R17-D37 PolarHBondContact NE-OD1 3.48Å; R17-D37 IonicContact NE-OD2 3.35Å; R17-D37 PolarHBondContact NE-OD2 3.36Å; R17-D37 IonicContact NH2-OD1 3.56Å; R17-D37 IonicContact NH2-OD2 2.66Å; R17-D37 PolarHBondContact NH2-OD2 2.68Å; W18-D37 VanDerWaalsContact NE1-CG 3.34Å; W18-D37 PolarHBondContact NE1-OD2 2.75Å; D37-I39 PolarHBondContact O-N 3.2Å; D37-I39 PolarHBondContact OD1-N 3.34Å; D37-N40 WeakPolarHBondContact CB-OD1 3.44Å; D37-N40 VanDerWaalsContact CG-ND2 3.26Å; D37-N40 PolarHBondContact O-N 2.79Å; D37-N40 VanDerWaalsContact O-N 3.16Å; D37-N40 PolarHBondContact O-OD1 2.83Å; D37-N40 PolarHBondContact OD2-ND2 2.66Å; D37-Q41 WeakPolarHBondContact O-CA 3.25Å; D37-Q41 PolarHBondContact O-N 3.23Å; D37-Q42 PolarHBondContact N-O 3.16Å; D37-V44 HydrophobicContact CB-CG1 4.13Å; D37-V44 HydrophobicContact CB-CG2 4.48Å |
| 38 | M | 96.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 41 Ų | 41 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.4 | -172.1 | -66.7 | -60.9 | -57.7 | 0 | 0 | 114.1 | R17 R19 V36 Q41 | R17-M38 VanDerWaalsContact O-CB 3.29Å; R17-M38 WeakPolarHBondContact O-CB 3.32Å; R17-M38 VanDerWaalsContact O-CG 3.3Å; R17-M38 WeakPolarHBondContact O-CG 3.22Å; R17-M38 PolarHBondContact O-N 2.9Å; R19-M38 HydrophobicContact CB-CG 4.4Å; R19-M38 HydrophobicContact CB-SD 4.19Å; R19-M38 VanDerWaalsContact CZ-SD 3.53Å; V36-M38 HydrophobicContact CG1-SD 4.38Å; V36-M38 PolarHBondContact O-N 3.03Å; M38-Q41 PolarHBondContact O-NE2 2.82Å |
| 39 | I | 94.3 | Very high | 95.3 | Very high | 128 Ų | 128 | 37.5 Ų | 37.5 | 66% | 0.656 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -37.5 | 178.6 | -63.7 | -179.6 | 0 | 0 | 0 | 111.7 | R17 D37 | R17-I39 HydrophobicContact CG-CD1 3.98Å; R17-I39 HydrophobicContact CG-CG1 4.09Å; D37-I39 PolarHBondContact O-N 3.2Å; D37-I39 PolarHBondContact OD1-N 3.34Å |
| 40 | N | 92.2 | Very high | 96 | Very high | 61 Ų | 61 | 34.9 Ų | 34.9 | 33% | 0.326 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 0 | -176 | 58 | 49.5 | 0 | 0 | 0 | 113.8 | D37 Q42 | D37-N40 WeakPolarHBondContact CB-OD1 3.44Å; D37-N40 VanDerWaalsContact CG-ND2 3.26Å; D37-N40 PolarHBondContact O-N 2.79Å; D37-N40 VanDerWaalsContact O-N 3.16Å; D37-N40 PolarHBondContact O-OD1 2.83Å; D37-N40 PolarHBondContact OD2-ND2 2.66Å; N40-Q42 HydrophobicContact CB-CG 4.37Å; N40-Q42 PolarHBondContact O-N 2.89Å; N40-Q42 VanDerWaalsContact O-N 3.11Å; N40-Q42 PolarHBondContact O-NE2 2.89Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.34Å; N40-Q42 WeakPolarHBondContact OD1-CG 3.43Å; N40-Q42 PolarHBondContact OD1-N 2.83Å |
| 41 | Q | 94.6 | Very high | 96.2 | Very high | 116 Ų | 116 | 35.3 Ų | 35.3 | 54% | 0.542 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 21.2 | -178.3 | -60.1 | -63.8 | -44.5 | 0 | 0 | 114.3 | D37 M38 | D37-Q41 WeakPolarHBondContact O-CA 3.25Å; D37-Q41 PolarHBondContact O-N 3.23Å; M38-Q41 PolarHBondContact O-NE2 2.82Å |
| 42 | Q | 95.2 | Very high | 96 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 154.8 | 177.1 | -57 | -59.3 | -59.9 | 0 | 0 | 112.2 | V36 D37 N40 P152 | V36-Q42 WeakPolarHBondContact CA-O 3.48Å; D37-Q42 PolarHBondContact N-O 3.16Å; N40-Q42 HydrophobicContact CB-CG 4.37Å; N40-Q42 PolarHBondContact O-N 2.89Å; N40-Q42 VanDerWaalsContact O-N 3.11Å; N40-Q42 PolarHBondContact O-NE2 2.89Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.34Å; N40-Q42 WeakPolarHBondContact OD1-CG 3.43Å; N40-Q42 PolarHBondContact OD1-N 2.83Å; Q42-P152 VanDerWaalsContact CB-CD 3.43Å; Q42-P152 HydrophobicContact CB-CG 4.22Å |
| 43 | K | 96.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 44% | 0.443 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 138.8 | 171.9 | -69.5 | -178.6 | 160.9 | -155.5 | 0 | 111.6 | E34 A35 V36 L93 | E34-K43 VanDerWaalsContact CD-CE 3.46Å; E34-K43 HydrophobicContact CG-CD 4.29Å; E34-K43 HydrophobicContact CG-CG 4.44Å; E34-K43 WeakPolarHBondContact OE1-CE 3.43Å; E34-K43 IonicContact OE1-NZ 2.75Å; E34-K43 PolarHBondContact OE1-NZ 2.93Å; E34-K43 WeakPolarHBondContact OE2-CD 3.23Å; E34-K43 WeakPolarHBondContact OE2-CE 3.29Å; E34-K43 IonicContact OE2-NZ 2.75Å; E34-K43 PolarHBondContact OE2-NZ 3.26Å; A35-K43 CarbonylContact O-C 3.15Å; A35-K43 WeakPolarHBondContact O-CA 3.35Å; V36-K43 HydrophobicContact CG2-CG 4.39Å; K43-L93 HydrophobicContact CB-CD2 3.81Å; K43-L93 HydrophobicContact CD-CD2 4.36Å |
| 44 | V | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 158.8 | 177.6 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | A35 D37 V46 I78 V90 P152 | A35-V44 HydrophobicContact CB-CG2 4.07Å; A35-V44 PolarHBondContact N-O 2.71Å; A35-V44 PolarHBondContact O-N 3.13Å; D37-V44 HydrophobicContact CB-CG1 4.13Å; D37-V44 HydrophobicContact CB-CG2 4.48Å; V44-V46 HydrophobicContact CG2-CG2 4.2Å; V44-I78 HydrophobicContact CB-CD1 4.26Å; V44-I78 HydrophobicContact CG1-CD1 3.58Å; V44-V90 HydrophobicContact CB-CG1 3.96Å; V44-V90 HydrophobicContact CG1-CG1 4.49Å; V44-V90 HydrophobicContact CG2-CG1 3.74Å; V44-P152 HydrophobicContact CG1-CG 3.74Å |
| 45 | A | 97.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I32 Y33 V90 M91 L93 | I32-A45 HydrophobicContact CD1-CB 4.4Å; Y33-A45 WeakPolarHBondContact O-CA 3.48Å; A45-V90 WeakPolarHBondContact O-CA 3.27Å; A45-M91 HydrophobicContact CB-CG 3.96Å; A45-M91 PolarHBondContact N-O 3.28Å; A45-M91 PolarHBondContact O-N 2.94Å; A45-L93 HydrophobicContact CB-CD1 4.02Å |
| 46 | V | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | I14 F20 I32 Y33 A35 V44 V48 F88 I89 V90 | I14-V46 HydrophobicContact CD1-CG1 4.19Å; F20-V46 HydrophobicContact CE1-CG1 4.29Å; F20-V46 HydrophobicContact CE2-CG1 4.05Å; F20-V46 HydrophobicContact CZ-CB 4.24Å; F20-V46 HydrophobicContact CZ-CG1 3.57Å; I32-V46 WeakPolarHBondContact CA-O 3.34Å; Y33-V46 PolarHBondContact N-O 2.83Å; Y33-V46 PolarHBondContact O-N 3.36Å; A35-V46 HydrophobicContact CB-CB 4.49Å; A35-V46 HydrophobicContact CB-CG2 3.57Å; V44-V46 HydrophobicContact CG2-CG2 4.2Å; V46-V48 HydrophobicContact CG1-CG1 4.13Å; V46-F88 HydrophobicContact CG1-CB 4.47Å; V46-I89 WeakPolarHBondContact CA-O 3.29Å; V46-V90 HydrophobicContact CG1-CG2 4.48Å; V46-V90 HydrophobicContact CG2-CG1 4.13Å; V46-V90 HydrophobicContact CG2-CG2 4.18Å |
| 47 | K | 97.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 53 Ų | 53 | 10% | 0.1 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.1 | 174.4 | -171.1 | -175.5 | -169.2 | -170.2 | 0 | 109.2 | E31 I32 L58 E61 F88 I89 D164 | E31-K47 CarbonylContact O-C 3.49Å; E31-K47 VanDerWaalsContact O-CA 3.31Å; E31-K47 WeakPolarHBondContact O-CA 3.48Å; E31-K47 WeakPolarHBondContact O-CG 3.17Å; I32-K47 HydrophobicContact CB-CB 4.32Å; I32-K47 HydrophobicContact CB-CG 4.27Å; I32-K47 HydrophobicContact CD1-CB 4.41Å; I32-K47 HydrophobicContact CG1-CB 4.24Å; K47-L58 HydrophobicContact CB-CD1 4.39Å; K47-L58 HydrophobicContact CD-CD1 3.84Å; K47-L58 HydrophobicContact CG-CD1 4.03Å; K47-E61 IonicContact NZ-OE1 2.69Å; K47-E61 PolarHBondContact NZ-OE1 2.73Å; K47-E61 IonicContact NZ-OE2 3.45Å; K47-E61 PolarHBondContact NZ-OE2 3.19Å; K47-F88 WeakPolarHBondContact O-CA 3.44Å; K47-I89 HydrophobicContact CB-CG2 3.78Å; K47-I89 PolarHBondContact N-O 2.83Å; K47-I89 PolarHBondContact O-N 2.96Å; K47-D164 IonicContact NZ-OD1 3.19Å; K47-D164 PolarHBondContact NZ-OD1 3.2Å |
| 48 | V | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.7 | -176.1 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | I7 V8 F20 G30 E31 Y33 V46 F86 N87 F88 | I7-V48 HydrophobicContact CB-CG2 4.25Å; I7-V48 HydrophobicContact CD1-CG2 4.49Å; I7-V48 HydrophobicContact CG2-CG2 4.28Å; V8-V48 HydrophobicContact CG2-CG1 4.27Å; V8-V48 HydrophobicContact CG2-CG2 4.3Å; F20-V48 HydrophobicContact CE1-CG1 4.08Å; F20-V48 HydrophobicContact CZ-CG1 3.88Å; G30-V48 CarbonylContact C-O 2.71Å; G30-V48 WeakPolarHBondContact CA-O 3.43Å; E31-V48 HydrophobicContact CB-CG2 3.99Å; E31-V48 PolarHBondContact N-O 3.4Å; E31-V48 PolarHBondContact O-N 3.16Å; Y33-V48 HydrophobicContact CD2-CG2 4.34Å; Y33-V48 HydrophobicContact CE2-CG2 3.96Å; V46-V48 HydrophobicContact CG1-CG1 4.13Å; V48-F86 HydrophobicContact CB-CD2 4.43Å; V48-F86 HydrophobicContact CG1-CD2 4.12Å; V48-F86 HydrophobicContact CG1-CE2 4.48Å; V48-N87 VanDerWaalsContact CA-O 3.3Å; V48-N87 WeakPolarHBondContact CA-O 3.3Å; V48-F88 HydrophobicContact CG1-CB 3.9Å |
| 49 | E | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.8 | 165.4 | 63 | -179.5 | -174.4 | 0 | 0 | 107.8 | A51 Q56 V57 L58 F86 N87 | E49-A51 PolarHBondContact O-N 3.21Å; E49-Q56 WeakPolarHBondContact OE1-CB 3.21Å; E49-Q56 WeakPolarHBondContact OE2-CA 3.33Å; E49-V57 PolarHBondContact OE2-N 2.91Å; E49-L58 VanDerWaalsContact CD-N 3.35Å; E49-L58 HydrophobicContact CG-CB 3.81Å; E49-L58 HydrophobicContact CG-CD2 4.26Å; E49-L58 WeakPolarHBondContact OE1-CB 3.44Å; E49-L58 PolarHBondContact OE1-N 2.91Å; E49-L58 WeakPolarHBondContact OE2-CB 3.45Å; E49-L58 PolarHBondContact OE2-N 2.98Å; E49-F86 CarbonylContact O-C 3.39Å; E49-F86 WeakPolarHBondContact O-CA 3.37Å; E49-F86 VanDerWaalsContact O-CB 3.23Å; E49-F86 WeakPolarHBondContact O-CB 3.33Å; E49-N87 HydrophobicContact CG-CB 3.72Å; E49-N87 PolarHBondContact N-O 2.84Å; E49-N87 PolarHBondContact O-N 3.03Å; E49-N87 PolarHBondContact OE1-ND2 3.02Å |
| 50 | S | 94.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 137.2 | 176.5 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | Q52 Q53 Q85 | S50-Q52 PolarHBondContact O-N 3.05Å; S50-Q52 PolarHBondContact OG-N 3.16Å; S50-Q53 WeakPolarHBondContact O-CB 3.14Å; S50-Q53 PolarHBondContact O-N 2.95Å; S50-Q85 CarbonylContact C-O 3.58Å; S50-Q85 WeakPolarHBondContact CA-O 3.41Å; S50-Q85 PolarHBondContact OG-O 3.34Å |
| 51 | A | 94.5 | Very high | 94.4 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | E49 Q53 Q56 Q85 | E49-A51 PolarHBondContact O-N 3.21Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 2.87Å; A51-Q56 PolarHBondContact O-NE2 2.94Å; A51-Q85 PolarHBondContact N-O 2.91Å |
| 52 | Q | 92.2 | Very high | 94.5 | Very high | 147 Ų | 147 | 48.1 Ų | 48.1 | 69% | 0.687 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.9 | 179.3 | -49.4 | -55.8 | -28.1 | 0 | 0 | 113.5 | S50 P54 E84 | S50-Q52 PolarHBondContact O-N 3.05Å; S50-Q52 PolarHBondContact OG-N 3.16Å; Q52-P54 WeakPolarHBondContact O-CD 3.47Å; Q52-E84 PolarHBondContact NE2-O 3.01Å |
| 53 | Q | 89.2 | Confident | 94.6 | Very high | 50 Ų | 50 | 46 Ų | 46 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | trans | -71.3 | 126.5 | 175.7 | -73.9 | -176.4 | -1 | 0 | 0 | 111.3 | S50 A51 K55 | S50-Q53 WeakPolarHBondContact O-CB 3.14Å; S50-Q53 PolarHBondContact O-N 2.95Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-Q53 PolarHBondContact O-N 2.87Å; Q53-K55 PolarHBondContact O-N 3.29Å | ||
| 54 | P | 89.8 | Confident | 94.6 | Very high | 114 Ų | 114 | 41.1 Ų | 41.1 | 74% | 0.74 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -14.9 | 180 | -27.3 | 35.4 | 0 | 0 | 0 | 115.4 | Q52 | Q52-P54 WeakPolarHBondContact O-CD 3.47Š|
| 55 | K | 88.5 | Confident | 94.6 | Very high | 86 Ų | 86 | 41.2 Ų | 41.2 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 67 | -179.2 | -167.8 | -172.3 | 144.4 | -72.1 | 0 | 111.6 | Q53 V57 | Q53-K55 PolarHBondContact O-N 3.29Å; K55-V57 PolarHBondContact O-N 2.79Å |
| 56 | Q | 92.4 | Very high | 94.6 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | trans | -53.1 | 122.6 | 167.3 | -64.7 | -176.9 | 12.5 | 0 | 0 | 110.9 | E49 A51 N87 | E49-Q56 WeakPolarHBondContact OE1-CB 3.21Å; E49-Q56 WeakPolarHBondContact OE2-CA 3.33Å; A51-Q56 PolarHBondContact O-NE2 2.94Å; Q56-N87 VanDerWaalsContact CD-ND2 3.27Å; Q56-N87 PolarHBondContact OE1-ND2 3.43Å | ||
| 57 | V | 93.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | trans | -112.3 | -23.4 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | F29 E49 K55 K59 M60 E61 G166 | F29-V57 HydrophobicContact CB-CG2 4.2Å; E49-V57 PolarHBondContact OE2-N 2.91Å; K55-V57 PolarHBondContact O-N 2.79Å; V57-K59 PolarHBondContact O-N 2.73Å; V57-K59 VanDerWaalsContact O-N 3.14Å; V57-M60 WeakPolarHBondContact O-CA 3.03Å; V57-M60 WeakPolarHBondContact O-CB 3.28Å; V57-M60 PolarHBondContact O-N 3.33Å; V57-E61 PolarHBondContact O-N 3.03Å; V57-G166 WeakPolarHBondContact CG1-O 2.97Å | ||
| 58 | L | 94.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -27 | -172.2 | -154.1 | 71.5 | 0 | 0 | 0 | 112.3 | K47 E49 M60 E61 V62 N87 F88 I89 | K47-L58 HydrophobicContact CB-CD1 4.39Å; K47-L58 HydrophobicContact CD-CD1 3.84Å; K47-L58 HydrophobicContact CG-CD1 4.03Å; E49-L58 VanDerWaalsContact CD-N 3.35Å; E49-L58 HydrophobicContact CG-CB 3.81Å; E49-L58 HydrophobicContact CG-CD2 4.26Å; E49-L58 WeakPolarHBondContact OE1-CB 3.44Å; E49-L58 PolarHBondContact OE1-N 2.91Å; E49-L58 WeakPolarHBondContact OE2-CB 3.45Å; E49-L58 PolarHBondContact OE2-N 2.98Å; L58-M60 VanDerWaalsContact C-N 3.28Å; L58-M60 PolarHBondContact O-N 2.94Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.42Å; L58-E61 PolarHBondContact O-N 2.97Å; L58-V62 VanDerWaalsContact O-CG2 3.29Å; L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.8Å; L58-N87 HydrophobicContact CD2-CB 4.14Å; L58-F88 VanDerWaalsContact CD2-CA 3.49Å; L58-I89 HydrophobicContact CD1-CG2 3.72Å; L58-I89 HydrophobicContact CD2-CB 4.32Å; L58-I89 HydrophobicContact CD2-CG2 4.13Å; L58-I89 HydrophobicContact CG-CB 4.37Å; L58-I89 HydrophobicContact CG-CG2 4.06Å |
| 59 | K | 94.3 | Very high | 94.7 | Very high | 142 Ų | 142 | 52.8 Ų | 52.8 | 62% | 0.617 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.1 | -37.9 | 169.5 | -178.3 | 177.6 | 177.5 | 179.5 | 0 | 112.7 | V57 A63 | V57-K59 PolarHBondContact O-N 2.73Å; V57-K59 VanDerWaalsContact O-N 3.14Å; K59-A63 PolarHBondContact O-N 3.19Å |
| 60 | M | 94 | Very high | 94.6 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.7 | -43.8 | 176.4 | -174.5 | 57.7 | 66 | 0 | 0 | 110.9 | V57 L58 V62 A63 V64 F134 | V57-M60 WeakPolarHBondContact O-CA 3.03Å; V57-M60 WeakPolarHBondContact O-CB 3.28Å; V57-M60 PolarHBondContact O-N 3.33Å; L58-M60 VanDerWaalsContact C-N 3.28Å; L58-M60 PolarHBondContact O-N 2.94Å; M60-V62 PolarHBondContact O-N 3.4Å; M60-A63 WeakPolarHBondContact O-CA 3.28Å; M60-A63 WeakPolarHBondContact O-CB 3.28Å; M60-A63 PolarHBondContact O-N 3.22Å; M60-V64 HydrophobicContact CG-CG2 4.46Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.07Å; M60-V64 HydrophobicContact SD-CG2 4.46Å; M60-F134 HydrophobicContact SD-CD1 4.48Å; M60-F134 HydrophobicContact SD-CE1 3.58Å; M60-F134 VanDerWaalsContact SD-CE1 3.58Å; M60-F134 HydrophobicContact SD-CZ 4.31Å |
| 61 | E | 95.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.019 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 179.4 | 178.1 | 159.1 | -155.5 | 0 | 0 | 112.8 | K47 V57 L58 A63 V64 L65 D164 F165 | K47-E61 IonicContact NZ-OE1 2.69Å; K47-E61 PolarHBondContact NZ-OE1 2.73Å; K47-E61 IonicContact NZ-OE2 3.45Å; K47-E61 PolarHBondContact NZ-OE2 3.19Å; V57-E61 PolarHBondContact O-N 3.03Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.42Å; L58-E61 PolarHBondContact O-N 2.97Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 3Å; E61-V64 PolarHBondContact O-N 2.89Å; E61-L65 VanDerWaalsContact O-CB 3.26Å; E61-L65 WeakPolarHBondContact O-CB 3.42Å; E61-L65 PolarHBondContact O-N 2.91Å; E61-D164 WeakPolarHBondContact OE1-CA 3.36Å; E61-F165 HydrophobicContact CB-CB 4.27Å; E61-F165 HydrophobicContact CG-CB 4.01Å; E61-F165 HydrophobicContact CG-CD2 4.43Å; E61-F165 PolarHBondContact OE1-N 3.32Å |
| 62 | V | 96.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 169.2 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | L58 M60 K66 F77 C80 I89 | L58-V62 VanDerWaalsContact O-CG2 3.29Å; L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.8Å; M60-V62 PolarHBondContact O-N 3.4Å; V62-K66 HydrophobicContact CG1-CD 4.15Å; V62-K66 HydrophobicContact CG1-CG 4.46Å; V62-K66 VanDerWaalsContact O-CB 3.29Å; V62-K66 WeakPolarHBondContact O-CB 3.25Å; V62-K66 VanDerWaalsContact O-CG 3.31Å; V62-K66 WeakPolarHBondContact O-CG 3.31Å; V62-K66 PolarHBondContact O-N 2.93Å; V62-F77 HydrophobicContact CG1-CE2 4.23Å; V62-C80 HydrophobicContact CG2-CB 4.15Å; V62-I89 HydrophobicContact CB-CD1 4.3Å; V62-I89 HydrophobicContact CG2-CB 4.03Å; V62-I89 HydrophobicContact CG2-CD1 3.56Å; V62-I89 HydrophobicContact CG2-CG1 3.87Å |
| 63 | A | 96.4 | Very high | 95 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 31% | 0.306 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.6 | -39.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K59 M60 E61 R67 | K59-A63 PolarHBondContact O-N 3.19Å; M60-A63 WeakPolarHBondContact O-CA 3.28Å; M60-A63 WeakPolarHBondContact O-CB 3.28Å; M60-A63 PolarHBondContact O-N 3.22Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 3Å; A63-R67 WeakPolarHBondContact O-CG 3.32Å; A63-R67 PolarHBondContact O-N 3.01Å |
| 64 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -51.3 | 174.1 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | M60 E61 K66 R67 L68 F134 F165 A168 | M60-V64 HydrophobicContact CG-CG2 4.46Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.07Å; M60-V64 HydrophobicContact SD-CG2 4.46Å; E61-V64 PolarHBondContact O-N 2.89Å; V64-K66 VanDerWaalsContact C-N 3.3Å; V64-K66 PolarHBondContact O-N 3.06Å; V64-R67 PolarHBondContact O-N 2.81Å; V64-R67 VanDerWaalsContact O-N 3.11Å; V64-L68 HydrophobicContact CG1-CD1 3.73Å; V64-L68 HydrophobicContact CG1-CG 4.39Å; V64-L68 WeakPolarHBondContact O-CG 3.31Å; V64-L68 PolarHBondContact O-N 3.31Å; V64-F134 HydrophobicContact CG2-CD1 3.47Å; V64-F134 VanDerWaalsContact CG2-CD1 3.47Å; V64-F134 HydrophobicContact CG2-CD2 4.12Å; V64-F134 HydrophobicContact CG2-CE1 3.56Å; V64-F134 HydrophobicContact CG2-CE2 4.19Å; V64-F134 HydrophobicContact CG2-CG 3.77Å; V64-F134 HydrophobicContact CG2-CZ 3.94Å; V64-F165 HydrophobicContact CB-CB 4.11Å; V64-F165 HydrophobicContact CB-CG 4.2Å; V64-F165 HydrophobicContact CG1-CB 4.01Å; V64-F165 HydrophobicContact CG1-CD1 3.52Å; V64-F165 HydrophobicContact CG1-CD2 4.24Å; V64-F165 HydrophobicContact CG1-CE1 4.04Å; V64-F165 HydrophobicContact CG1-CG 3.65Å; V64-A168 HydrophobicContact CG2-CB 4.13Å |
| 65 | L | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | -178.2 | -171.9 | 64 | 0 | 0 | 0 | 111.9 | E61 L68 Q69 T74 C75 F77 I89 M91 F165 | E61-L65 VanDerWaalsContact O-CB 3.26Å; E61-L65 WeakPolarHBondContact O-CB 3.42Å; E61-L65 PolarHBondContact O-N 2.91Å; L65-L68 PolarHBondContact O-N 2.83Å; L65-Q69 WeakPolarHBondContact O-CG 3.38Å; L65-Q69 PolarHBondContact O-N 2.85Å; L65-Q69 PolarHBondContact O-NE2 3.1Å; L65-T74 HydrophobicContact CD1-CG2 3.69Å; L65-C75 HydrophobicContact CD1-CB 4.15Å; L65-C75 WeakPolarHBondContact CD1-O 3.3Å; L65-F77 HydrophobicContact CD2-CB 4.34Å; L65-F77 HydrophobicContact CD2-CD2 4.32Å; L65-F77 HydrophobicContact CG-CB 4.42Å; L65-I89 HydrophobicContact CD2-CD1 3.7Å; L65-M91 HydrophobicContact CD2-CB 4.18Å; L65-M91 HydrophobicContact CD2-CE 4.22Å; L65-M91 HydrophobicContact CD2-SD 4.29Å; L65-F165 HydrophobicContact CD1-CE2 4.02Å |
| 66 | K | 97.5 | Very high | 96.2 | Very high | 78 Ų | 78 | 49.2 Ų | 49.2 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.6 | -79.4 | -173.3 | 174.6 | -168.3 | 0 | 112.8 | V62 V64 L68 Q69 F77 | V62-K66 HydrophobicContact CG1-CD 4.15Å; V62-K66 HydrophobicContact CG1-CG 4.46Å; V62-K66 VanDerWaalsContact O-CB 3.29Å; V62-K66 WeakPolarHBondContact O-CB 3.25Å; V62-K66 VanDerWaalsContact O-CG 3.31Å; V62-K66 WeakPolarHBondContact O-CG 3.31Å; V62-K66 PolarHBondContact O-N 2.93Å; V64-K66 VanDerWaalsContact C-N 3.3Å; V64-K66 PolarHBondContact O-N 3.06Å; K66-L68 PolarHBondContact O-N 2.84Å; K66-Q69 PolarHBondContact O-N 3.17Å; K66-F77 HydrophobicContact CG-CD2 4.23Å; K66-F77 HydrophobicContact CG-CE2 4.36Å; K66-F77 HydrophobicContact CG-CG 4.33Å |
| 67 | R | 97.2 | Very high | 96.4 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.1 | -21.5 | 176.9 | -74.3 | 176.8 | -178.3 | -164.1 | 7.5 | 113.6 | A63 V64 V132 | A63-R67 WeakPolarHBondContact O-CG 3.32Å; A63-R67 PolarHBondContact O-N 3.01Å; V64-R67 PolarHBondContact O-N 2.81Å; V64-R67 VanDerWaalsContact O-N 3.11Å; R67-V132 HydrophobicContact CB-CB 4.27Å; R67-V132 HydrophobicContact CB-CG2 4.48Å |
| 68 | L | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -6.1 | 177.2 | -68.7 | 171 | 0 | 0 | 0 | 114.2 | V64 L65 K66 R71 T74 N128 V129 V132 F165 | V64-L68 HydrophobicContact CG1-CD1 3.73Å; V64-L68 HydrophobicContact CG1-CG 4.39Å; V64-L68 WeakPolarHBondContact O-CG 3.31Å; V64-L68 PolarHBondContact O-N 3.31Å; L65-L68 PolarHBondContact O-N 2.83Å; K66-L68 PolarHBondContact O-N 2.84Å; L68-R71 VanDerWaalsContact O-CB 3.31Å; L68-R71 WeakPolarHBondContact O-CB 3.46Å; L68-R71 PolarHBondContact O-N 2.95Å; L68-R71 VanDerWaalsContact O-N 3.09Å; L68-T74 HydrophobicContact CB-CG2 3.45Å; L68-T74 VanDerWaalsContact CB-CG2 3.45Å; L68-T74 HydrophobicContact CD1-CG2 4.37Å; L68-N128 HydrophobicContact CD2-CB 4.33Å; L68-N128 WeakPolarHBondContact CD2-O 3.13Å; L68-V129 HydrophobicContact CD1-CG2 4.1Å; L68-V129 HydrophobicContact CD2-CG2 4.38Å; L68-V132 HydrophobicContact CD2-CG1 4.22Å; L68-V132 HydrophobicContact CD2-CG2 3.6Å; L68-V132 HydrophobicContact CG-CG2 4.1Å; L68-F165 HydrophobicContact CD1-CE1 3.72Å; L68-F165 HydrophobicContact CD1-CE2 4.2Å; L68-F165 HydrophobicContact CD1-CZ 3.54Å |
| 69 | Q | 97.4 | Very high | 96.6 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 142.5 | -179.8 | -64.4 | -54.3 | -75.6 | 0 | 0 | 111.8 | L65 K66 R71 C75 F77 | L65-Q69 WeakPolarHBondContact O-CG 3.38Å; L65-Q69 PolarHBondContact O-N 2.85Å; L65-Q69 PolarHBondContact O-NE2 3.1Å; K66-Q69 PolarHBondContact O-N 3.17Å; Q69-R71 VanDerWaalsContact C-N 3.25Å; Q69-R71 PolarHBondContact O-N 3.27Å; Q69-C75 PolarHBondContact NE2-O 2.97Å; Q69-F77 HydrophobicContact CG-CB 4.13Å |
| 70 | G | 94.8 | Very high | 96.7 | Very high | 92 Ų | 92 | 43.6 Ų | 43.6 | 95% | 0.948 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -10.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 71 | R | 96.5 | Very high | 96.8 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -89.3 | 149.6 | 174 | -62.1 | 176.5 | 175 | -91.7 | -0.1 | 111.6 | L68 Q69 N128 | L68-R71 VanDerWaalsContact O-CB 3.31Å; L68-R71 WeakPolarHBondContact O-CB 3.46Å; L68-R71 PolarHBondContact O-N 2.95Å; L68-R71 VanDerWaalsContact O-N 3.09Å; Q69-R71 VanDerWaalsContact C-N 3.25Å; Q69-R71 PolarHBondContact O-N 3.27Å; R71-N128 HydrophobicContact CB-CB 4.45Å; R71-N128 WeakPolarHBondContact CD-OD1 2.88Å; R71-N128 PolarHBondContact NH1-OD1 2.66Å |
| 72 | A | 96 | Very high | 96.8 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 161 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T74 N128 | A72-T74 PolarHBondContact O-N 3.39Å; A72-T74 PolarHBondContact O-OG1 2.73Å; A72-N128 PolarHBondContact O-ND2 3.49Å |
| 73 | H | 97.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.2 | 177 | -47.4 | -60.5 | 0 | 0 | 0 | 115.1 | Q121 A125 I160 V161 L162 | H73-Q121 PolarHBondContact CD2-O 3.47Å; H73-Q121 PolarHBondContact CE1-OE1 3.13Å; H73-A125 HydrophobicContact CB-CB 3.67Å; H73-I160 WeakPolarHBondContact CA-O 3.24Å; H73-I160 WeakPolarHBondContact CB-O 3.34Å; H73-I160 PolarHBondContact ND1-O 3.21Å; H73-V161 WeakPolarHBondContact O-CA 3.48Å; H73-L162 PolarHBondContact O-N 3.19Å |
| 74 | T | 97.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -124.7 | 139.5 | -177.9 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | L65 L68 A72 | L65-T74 HydrophobicContact CD1-CG2 3.69Å; L68-T74 HydrophobicContact CB-CG2 3.45Å; L68-T74 VanDerWaalsContact CB-CG2 3.45Å; L68-T74 HydrophobicContact CD1-CG2 4.37Å; A72-T74 PolarHBondContact O-N 3.39Å; A72-T74 PolarHBondContact O-OG1 2.73Å |
| 75 | C | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -64 | 142.9 | 172 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | L65 Q69 F77 M91 S92 V161 | L65-C75 HydrophobicContact CD1-CB 4.15Å; L65-C75 WeakPolarHBondContact CD1-O 3.3Å; Q69-C75 PolarHBondContact NE2-O 2.97Å; C75-F77 PolarHBondContact O-N 2.97Å; C75-M91 HydrophobicContact CB-CB 4.11Å; C75-M91 HydrophobicContact CB-CG 4.23Å; C75-M91 HydrophobicContact CB-SD 4Å; C75-S92 WeakPolarHBondContact CA-OG 3.16Å; C75-V161 HydrophobicContact CB-CG1 4.42Å; C75-V161 WeakPolarHBondContact SG-CG1 3.37Å |
| 76 | R | 96.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 122.6 | 165.5 | 179.1 | 85.8 | 83.4 | 80.4 | -6.8 | 108.6 | I78 M91 S92 G153 | R76-I78 HydrophobicContact CG-CG1 4.27Å; R76-M91 CarbonylContact O-C 3.39Å; R76-M91 WeakPolarHBondContact O-CA 3.39Å; R76-M91 WeakPolarHBondContact O-CB 3.44Å; R76-S92 PolarHBondContact N-OG 2.92Å; R76-S92 PolarHBondContact O-N 3.38Å; R76-G153 VanDerWaalsContact CZ-CA 3.45Å |
| 77 | F | 97.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 128.9 | 166.3 | 175.1 | -91.6 | 0 | 0 | 0 | 109.1 | V62 L65 K66 Q69 C75 G79 C80 I89 | V62-F77 HydrophobicContact CG1-CE2 4.23Å; L65-F77 HydrophobicContact CD2-CB 4.34Å; L65-F77 HydrophobicContact CD2-CD2 4.32Å; L65-F77 HydrophobicContact CG-CB 4.42Å; K66-F77 HydrophobicContact CG-CD2 4.23Å; K66-F77 HydrophobicContact CG-CE2 4.36Å; K66-F77 HydrophobicContact CG-CG 4.33Å; Q69-F77 HydrophobicContact CG-CB 4.13Å; C75-F77 PolarHBondContact O-N 2.97Å; F77-G79 WeakPolarHBondContact CE2-O 3.23Å; F77-G79 VanDerWaalsContact CZ-C 3.47Å; F77-C80 HydrophobicContact CE2-CB 4.15Å; F77-C80 HydrophobicContact CZ-CB 4.16Å; F77-I89 HydrophobicContact CD2-CD1 4.25Å; F77-I89 HydrophobicContact CD2-CG1 4.26Å; F77-I89 HydrophobicContact CE2-CD1 4.34Å; F77-I89 HydrophobicContact CE2-CG1 4.09Å |
| 78 | I | 96.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -35.3 | -178.9 | -60.6 | 176.2 | 0 | 0 | 0 | 111 | W18 V44 R76 V90 M91 P152 | W18-I78 HydrophobicContact CZ2-CG2 4.09Å; V44-I78 HydrophobicContact CB-CD1 4.26Å; V44-I78 HydrophobicContact CG1-CD1 3.58Å; R76-I78 HydrophobicContact CG-CG1 4.27Å; I78-V90 HydrophobicContact CB-CB 4.24Å; I78-V90 HydrophobicContact CB-CG1 4.04Å; I78-V90 HydrophobicContact CG2-CG1 4.07Å; I78-V90 PolarHBondContact N-O 2.98Å; I78-M91 VanDerWaalsContact CD1-C 3.49Å; I78-P152 HydrophobicContact CD1-CB 4.13Å; I78-P152 HydrophobicContact CD1-CG 3.68Å |
| 79 | G | 95.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F77 V90 | F77-G79 WeakPolarHBondContact CE2-O 3.23Å; F77-G79 VanDerWaalsContact CZ-C 3.47Å; G79-V90 PolarHBondContact N-O 2.77Å; G79-V90 VanDerWaalsContact N-O 3.15Å; G79-V90 PolarHBondContact O-N 2.89Å |
| 80 | C | 97.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 28% | 0.277 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 173.5 | 171.6 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | K15 V62 F77 F88 | K15-C80 PolarHBondContact NZ-O 2.97Å; V62-C80 HydrophobicContact CG2-CB 4.15Å; F77-C80 HydrophobicContact CE2-CB 4.15Å; F77-C80 HydrophobicContact CZ-CB 4.16Å; C80-F88 CarbonylContact C-O 3.01Å; C80-F88 VanDerWaalsContact CA-O 3.24Å; C80-F88 WeakPolarHBondContact CA-O 3.41Å; C80-F88 VanDerWaalsContact CB-O 3.3Å; C80-F88 WeakPolarHBondContact CB-O 3.37Å |
| 81 | G | 96.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F88 | G81-F88 VanDerWaalsContact CA-CE1 3.49Å; G81-F88 PolarHBondContact N-O 2.79Å; G81-F88 PolarHBondContact O-N 2.87Å |
| 82 | R | 95.9 | Very high | 96.3 | Very high | 154 Ų | 154 | 42.6 Ų | 42.6 | 58% | 0.581 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152.8 | 169.4 | -52.8 | -166.8 | 176.9 | 104.3 | 13.5 | 108.3 | N87 | R82-N87 WeakPolarHBondContact CB-OD1 3.46Å; R82-N87 WeakPolarHBondContact CD-OD1 3.43Å; R82-N87 HydrophobicContact CG-CB 4.41Å; R82-N87 WeakPolarHBondContact CG-OD1 3.33Å |
| 83 | N | 93 | Very high | 96.3 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | trans | -142.7 | -175.8 | 160.2 | 63.2 | 34 | 0 | 0 | 0 | 107.7 | Q85 F86 | N83-Q85 PolarHBondContact O-N 2.92Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.16Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.48Å; N83-Q85 PolarHBondContact OD1-N 2.71Å; N83-F86 PolarHBondContact N-O 3.15Å; N83-F86 WeakPolarHBondContact ND2-CE1 3.3Å; N83-F86 VanDerWaalsContact ND2-CZ 3.3Å; N83-F86 WeakPolarHBondContact ND2-CZ 3.24Å; N83-F86 PolarHBondContact OD1-N 2.9Å; N83-F86 PolarHBondContact OD1-O 2.81Å | ||
| 84 | E | 92.6 | Very high | 96.3 | Very high | 173 Ų | 173 | 41.7 Ų | 41.7 | 81% | 0.808 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -66.2 | -17.8 | -177.4 | -63.3 | 167.1 | -174.3 | 0 | 0 | 114.1 | Q52 | Q52-E84 PolarHBondContact NE2-O 3.01Š|
| 85 | Q | 93.1 | Very high | 96.2 | Very high | 132 Ų | 132 | 42.8 Ų | 42.8 | 62% | 0.617 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -99.5 | -43.8 | -175.7 | -60.1 | 174.1 | -9 | 0 | 0 | 111.8 | S50 A51 N83 | S50-Q85 CarbonylContact C-O 3.58Å; S50-Q85 WeakPolarHBondContact CA-O 3.41Å; S50-Q85 PolarHBondContact OG-O 3.34Å; A51-Q85 PolarHBondContact N-O 2.91Å; N83-Q85 PolarHBondContact O-N 2.92Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.16Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.48Å; N83-Q85 PolarHBondContact OD1-N 2.71Å |
| 86 | F | 95.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 149.2 | -174.4 | 59.2 | -91.9 | 0 | 0 | 0 | 114.7 | I7 V8 I14 V48 E49 N83 F88 | I7-F86 HydrophobicContact CG2-CB 4.05Å; V8-F86 HydrophobicContact CG2-CD1 3.87Å; V8-F86 HydrophobicContact CG2-CD2 4.4Å; V8-F86 HydrophobicContact CG2-CE1 3.75Å; V8-F86 HydrophobicContact CG2-CE2 4.28Å; V8-F86 HydrophobicContact CG2-CG 4.22Å; V8-F86 HydrophobicContact CG2-CZ 3.96Å; I14-F86 HydrophobicContact CG2-CE2 4.16Å; I14-F86 HydrophobicContact CG2-CZ 3.77Å; V48-F86 HydrophobicContact CB-CD2 4.43Å; V48-F86 HydrophobicContact CG1-CD2 4.12Å; V48-F86 HydrophobicContact CG1-CE2 4.48Å; E49-F86 CarbonylContact O-C 3.39Å; E49-F86 WeakPolarHBondContact O-CA 3.37Å; E49-F86 VanDerWaalsContact O-CB 3.23Å; E49-F86 WeakPolarHBondContact O-CB 3.33Å; N83-F86 PolarHBondContact N-O 3.15Å; N83-F86 WeakPolarHBondContact ND2-CE1 3.3Å; N83-F86 VanDerWaalsContact ND2-CZ 3.3Å; N83-F86 WeakPolarHBondContact ND2-CZ 3.24Å; N83-F86 PolarHBondContact OD1-N 2.9Å; N83-F86 PolarHBondContact OD1-O 2.81Å; F86-F88 HydrophobicContact CD2-CB 4.15Å; F86-F88 HydrophobicContact CD2-CD1 4.17Å; F86-F88 HydrophobicContact CE2-CB 4.3Å; F86-F88 AromaticContact CE2-CD1 3.89Å; F86-F88 HydrophobicContact CE2-CD1 3.89Å; F86-F88 HydrophobicContact CE2-CG 4.43Å |
| 87 | N | 96.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 147.8 | 160.3 | -60.6 | -30 | 0 | 0 | 0 | 108.9 | V48 E49 Q56 L58 R82 | V48-N87 VanDerWaalsContact CA-O 3.3Å; V48-N87 WeakPolarHBondContact CA-O 3.3Å; E49-N87 HydrophobicContact CG-CB 3.72Å; E49-N87 PolarHBondContact N-O 2.84Å; E49-N87 PolarHBondContact O-N 3.03Å; E49-N87 PolarHBondContact OE1-ND2 3.02Å; Q56-N87 VanDerWaalsContact CD-ND2 3.27Å; Q56-N87 PolarHBondContact OE1-ND2 3.43Å; L58-N87 HydrophobicContact CD2-CB 4.14Å; R82-N87 WeakPolarHBondContact CB-OD1 3.46Å; R82-N87 WeakPolarHBondContact CD-OD1 3.43Å; R82-N87 HydrophobicContact CG-CB 4.41Å; R82-N87 WeakPolarHBondContact CG-OD1 3.33Å |
| 88 | F | 97.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.7 | 176.3 | 72.8 | -91.4 | 0 | 0 | 0 | 114.5 | I14 K15 W18 V46 K47 V48 L58 C80 G81 F86 V90 | I14-F88 HydrophobicContact CD1-CB 4.42Å; I14-F88 HydrophobicContact CD1-CD1 4.02Å; I14-F88 HydrophobicContact CD1-CD2 3.53Å; I14-F88 HydrophobicContact CD1-CE1 4.07Å; I14-F88 HydrophobicContact CD1-CE2 3.59Å; I14-F88 HydrophobicContact CD1-CG 3.74Å; I14-F88 HydrophobicContact CD1-CZ 3.85Å; K15-F88 HydrophobicContact CD-CZ 3.85Å; K15-F88 HydrophobicContact CG-CZ 4.07Å; W18-F88 HydrophobicContact CE3-CE2 4.26Å; W18-F88 HydrophobicContact CZ3-CE2 4.02Å; W18-F88 HydrophobicContact CZ3-CZ 4.48Å; V46-F88 HydrophobicContact CG1-CB 4.47Å; K47-F88 WeakPolarHBondContact O-CA 3.44Å; V48-F88 HydrophobicContact CG1-CB 3.9Å; L58-F88 VanDerWaalsContact CD2-CA 3.49Å; C80-F88 CarbonylContact C-O 3.01Å; C80-F88 VanDerWaalsContact CA-O 3.24Å; C80-F88 WeakPolarHBondContact CA-O 3.41Å; C80-F88 VanDerWaalsContact CB-O 3.3Å; C80-F88 WeakPolarHBondContact CB-O 3.37Å; G81-F88 VanDerWaalsContact CA-CE1 3.49Å; G81-F88 PolarHBondContact N-O 2.79Å; G81-F88 PolarHBondContact O-N 2.87Å; F86-F88 HydrophobicContact CD2-CB 4.15Å; F86-F88 HydrophobicContact CD2-CD1 4.17Å; F86-F88 HydrophobicContact CE2-CB 4.3Å; F86-F88 AromaticContact CE2-CD1 3.89Å; F86-F88 HydrophobicContact CE2-CD1 3.89Å; F86-F88 HydrophobicContact CE2-CG 4.43Å; F88-V90 HydrophobicContact CD2-CG2 3.9Å; F88-V90 HydrophobicContact CE2-CG2 3.99Å |
| 89 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.1 | 170.4 | -168.8 | 178.7 | 0 | 0 | 0 | 109.2 | V46 K47 L58 V62 L65 F77 M91 | V46-I89 WeakPolarHBondContact CA-O 3.29Å; K47-I89 HydrophobicContact CB-CG2 3.78Å; K47-I89 PolarHBondContact N-O 2.83Å; K47-I89 PolarHBondContact O-N 2.96Å; L58-I89 HydrophobicContact CD1-CG2 3.72Å; L58-I89 HydrophobicContact CD2-CB 4.32Å; L58-I89 HydrophobicContact CD2-CG2 4.13Å; L58-I89 HydrophobicContact CG-CB 4.37Å; L58-I89 HydrophobicContact CG-CG2 4.06Å; V62-I89 HydrophobicContact CB-CD1 4.3Å; V62-I89 HydrophobicContact CG2-CB 4.03Å; V62-I89 HydrophobicContact CG2-CD1 3.56Å; V62-I89 HydrophobicContact CG2-CG1 3.87Å; L65-I89 HydrophobicContact CD2-CD1 3.7Å; F77-I89 HydrophobicContact CD2-CD1 4.25Å; F77-I89 HydrophobicContact CD2-CG1 4.26Å; F77-I89 HydrophobicContact CE2-CD1 4.34Å; F77-I89 HydrophobicContact CE2-CG1 4.09Å; I89-M91 HydrophobicContact CD1-CE 4.12Å; I89-M91 HydrophobicContact CG1-CE 4.35Å; I89-M91 HydrophobicContact CG2-CE 3.68Å |
| 90 | V | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.3 | 177.7 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | W18 V44 A45 V46 I78 G79 F88 | W18-V90 HydrophobicContact CD2-CG1 4.32Å; W18-V90 HydrophobicContact CD2-CG2 3.86Å; W18-V90 HydrophobicContact CE3-CG2 3.93Å; W18-V90 HydrophobicContact CG-CG1 4.39Å; W18-V90 HydrophobicContact CG-CG2 4.4Å; W18-V90 HydrophobicContact CH2-CG2 4.24Å; W18-V90 HydrophobicContact CZ2-CB 4.39Å; W18-V90 HydrophobicContact CZ2-CG1 4.36Å; W18-V90 HydrophobicContact CZ2-CG2 4.19Å; W18-V90 HydrophobicContact CZ3-CG2 4.12Å; V44-V90 HydrophobicContact CB-CG1 3.96Å; V44-V90 HydrophobicContact CG1-CG1 4.49Å; V44-V90 HydrophobicContact CG2-CG1 3.74Å; A45-V90 WeakPolarHBondContact O-CA 3.27Å; V46-V90 HydrophobicContact CG1-CG2 4.48Å; V46-V90 HydrophobicContact CG2-CG1 4.13Å; V46-V90 HydrophobicContact CG2-CG2 4.18Å; I78-V90 HydrophobicContact CB-CB 4.24Å; I78-V90 HydrophobicContact CB-CG1 4.04Å; I78-V90 HydrophobicContact CG2-CG1 4.07Å; I78-V90 PolarHBondContact N-O 2.98Å; G79-V90 PolarHBondContact N-O 2.77Å; G79-V90 VanDerWaalsContact N-O 3.15Å; G79-V90 PolarHBondContact O-N 2.89Å; F88-V90 HydrophobicContact CD2-CG2 3.9Å; F88-V90 HydrophobicContact CE2-CG2 3.99Å |
| 91 | M | 97.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 168.6 | -177.4 | 70.3 | -172.5 | 81.9 | 0 | 0 | 112.3 | A45 L65 C75 R76 I78 I89 L93 | A45-M91 HydrophobicContact CB-CG 3.96Å; A45-M91 PolarHBondContact N-O 3.28Å; A45-M91 PolarHBondContact O-N 2.94Å; L65-M91 HydrophobicContact CD2-CB 4.18Å; L65-M91 HydrophobicContact CD2-CE 4.22Å; L65-M91 HydrophobicContact CD2-SD 4.29Å; C75-M91 HydrophobicContact CB-CB 4.11Å; C75-M91 HydrophobicContact CB-CG 4.23Å; C75-M91 HydrophobicContact CB-SD 4Å; R76-M91 CarbonylContact O-C 3.39Å; R76-M91 WeakPolarHBondContact O-CA 3.39Å; R76-M91 WeakPolarHBondContact O-CB 3.44Å; I78-M91 VanDerWaalsContact CD1-C 3.49Å; I89-M91 HydrophobicContact CD1-CE 4.12Å; I89-M91 HydrophobicContact CG1-CE 4.35Å; I89-M91 HydrophobicContact CG2-CE 3.68Å; M91-L93 PolarHBondContact O-N 2.69Å |
| 92 | S | 96.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 128 | 174 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | C75 R76 Q94 P152 | C75-S92 WeakPolarHBondContact CA-OG 3.16Å; R76-S92 PolarHBondContact N-OG 2.92Å; R76-S92 PolarHBondContact O-N 3.38Å; S92-Q94 PolarHBondContact O-NE2 3.08Å; S92-Q94 PolarHBondContact OG-NE2 2.88Å; S92-P152 WeakPolarHBondContact CB-O 3.46Å |
| 93 | L | 97 | Very high | 96.6 | Very high | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | trans | -65.8 | 140.1 | 172.3 | -175.1 | 63.4 | 0 | 0 | 0 | 110.3 | I24 E34 K43 A45 M91 T148 | I24-L93 HydrophobicContact CD1-CD1 3.73Å; E34-L93 HydrophobicContact CG-CD2 4.05Å; K43-L93 HydrophobicContact CB-CD2 3.81Å; K43-L93 HydrophobicContact CD-CD2 4.36Å; A45-L93 HydrophobicContact CB-CD1 4.02Å; M91-L93 PolarHBondContact O-N 2.69Å; L93-T148 WeakPolarHBondContact O-CG2 3.49Å | ||
| 94 | Q | 97.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | trans | -113.3 | 165.8 | 177.3 | -55.1 | -46.7 | -53.4 | 0 | 0 | 111.1 | S92 A145 V161 L163 | S92-Q94 PolarHBondContact O-NE2 3.08Å; S92-Q94 PolarHBondContact OG-NE2 2.88Å; Q94-A145 HydrophobicContact CB-CB 3.96Å; Q94-V161 HydrophobicContact CG-CB 4.17Å; Q94-V161 HydrophobicContact CG-CG1 4.21Å; Q94-V161 HydrophobicContact CG-CG2 4.46Å; Q94-L163 HydrophobicContact CG-CD2 4.04Å | ||
| 95 | G | 96 | Very high | 96.8 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 39% | 0.392 | 19% | 0.188 | S | C | . | . | trans | -83 | -149.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | L146 | G95-L146 WeakPolarHBondContact CA-O 3.49Å; G95-L146 PolarHBondContact N-O 3.02Å | ||
| 96 | K | 96.8 | Very high | 96.7 | Very high | 136 Ų | 136 | 41.2 Ų | 41.2 | 59% | 0.591 | 20% | 0.2 | S | C | * | . | trans | -65.1 | 141.4 | 179.7 | -66.9 | -179.8 | 179.1 | 176.2 | 0 | 111.3 | L101 A145 L146 | K96-L101 HydrophobicContact CB-CD1 4.18Å; K96-L101 HydrophobicContact CB-CD2 4.01Å; K96-L101 HydrophobicContact CB-CG 3.87Å; K96-L101 HydrophobicContact CD-CD2 3.88Å; K96-A145 WeakPolarHBondContact O-CA 3.36Å; K96-L146 PolarHBondContact O-N 2.91Å | ||
| 97 | N | 98 | Very high | 96.6 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -79.7 | 156.6 | 171.9 | 67.9 | 76.4 | 0 | 0 | 0 | 112.4 | A99 D100 L101 S142 F144 A145 | N97-A99 PolarHBondContact O-N 3.46Å; N97-A99 WeakPolarHBondContact OD1-CA 3.37Å; N97-A99 WeakPolarHBondContact OD1-CB 3.5Å; N97-A99 PolarHBondContact OD1-N 2.95Å; N97-A99 VanDerWaalsContact OD1-N 3.07Å; N97-D100 PolarHBondContact ND2-OD2 3.12Å; N97-D100 PolarHBondContact O-N 2.66Å; N97-D100 PolarHBondContact OD1-N 3.1Å; N97-D100 PolarHBondContact OD1-OD2 2.88Å; N97-L101 WeakPolarHBondContact O-CG 3.44Å; N97-L101 PolarHBondContact O-N 3.04Å; N97-S142 WeakPolarHBondContact CB-O 3.32Å; N97-F144 CarbonylContact C-O 3.44Å; N97-F144 WeakPolarHBondContact CA-O 3.4Å; N97-F144 WeakPolarHBondContact CB-O 3.14Å; N97-A145 HydrophobicContact CB-CB 4.33Å |
| 98 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -25.4 | -177.7 | -58 | -177.7 | 0 | 0 | 0 | 112.8 | L101 R102 L118 M122 P141 F144 I160 F220 | L98-L101 HydrophobicContact CD2-CD1 4.11Å; L98-R102 VanDerWaalsContact O-CB 3.28Å; L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 PolarHBondContact O-N 2.95Å; L98-L118 HydrophobicContact CD1-CD1 4.36Å; L98-L118 HydrophobicContact CD1-CD2 4.11Å; L98-L118 HydrophobicContact CD2-CD1 4.11Å; L98-L118 HydrophobicContact CD2-CD2 3.74Å; L98-M122 HydrophobicContact CD1-SD 3.96Å; L98-P141 WeakPolarHBondContact CA-O 3.47Å; L98-P141 HydrophobicContact CB-CB 4.25Å; L98-P141 WeakPolarHBondContact CB-O 3.29Å; L98-P141 PolarHBondContact N-O 2.81Å; L98-P141 VanDerWaalsContact N-O 3.1Å; L98-F144 HydrophobicContact CD1-CB 3.63Å; L98-F144 HydrophobicContact CD1-CG 4.31Å; L98-F144 HydrophobicContact CG-CB 3.87Å; L98-F144 PolarHBondContact N-O 3.21Å; L98-I160 HydrophobicContact CD2-CG2 4.28Å; L98-F220 HydrophobicContact CB-CZ 4Å; L98-F220 HydrophobicContact CD1-CE2 4.11Å; L98-F220 HydrophobicContact CD1-CZ 3.98Å |
| 99 | A | 97.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 52 Ų | 52 | 5% | 0.05 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N97 R103 P141 | N97-A99 PolarHBondContact O-N 3.46Å; N97-A99 WeakPolarHBondContact OD1-CA 3.37Å; N97-A99 WeakPolarHBondContact OD1-CB 3.5Å; N97-A99 PolarHBondContact OD1-N 2.95Å; N97-A99 VanDerWaalsContact OD1-N 3.07Å; A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 WeakPolarHBondContact O-CG 3.04Å; A99-R103 VanDerWaalsContact O-CZ 3.27Å; A99-R103 PolarHBondContact O-N 3.17Å; A99-R103 VanDerWaalsContact O-N 3.08Å; A99-R103 PolarHBondContact O-NE 2.81Å; A99-R103 PolarHBondContact O-NH1 3.15Å; A99-P141 HydrophobicContact CB-CB 3.85Å; A99-P141 PolarHBondContact N-O 3.22Å |
| 100 | D | 97.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74 | -38.6 | 175.6 | -73.5 | -47 | 0 | 0 | 0 | 112.2 | N97 R102 R103 S104 | N97-D100 PolarHBondContact ND2-OD2 3.12Å; N97-D100 PolarHBondContact O-N 2.66Å; N97-D100 PolarHBondContact OD1-N 3.1Å; N97-D100 PolarHBondContact OD1-OD2 2.88Å; D100-R102 PolarHBondContact O-N 3.04Å; D100-R103 VanDerWaalsContact CG-NH2 3.28Å; D100-R103 PolarHBondContact O-N 2.9Å; D100-R103 IonicContact OD1-CZ 2.66Å; D100-R103 VanDerWaalsContact OD1-CZ 3.29Å; D100-R103 IonicContact OD1-NE 3.85Å; D100-R103 PolarHBondContact OD1-NE 3.43Å; D100-R103 VanDerWaalsContact OD1-NE 3.15Å; D100-R103 IonicContact OD1-NH2 2.73Å; D100-R103 PolarHBondContact OD1-NH2 2.66Å; D100-R103 IonicContact OD2-NH2 3.38Å; D100-S104 WeakPolarHBondContact O-CB 3.27Å; D100-S104 PolarHBondContact O-N 3.31Å; D100-S104 PolarHBondContact O-OG 2.79Å |
| 101 | L | 97.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 173.2 | -70.1 | 164.4 | 0 | 0 | 0 | 111 | K96 N97 L98 R103 S104 T105 F110 L146 W298 | K96-L101 HydrophobicContact CB-CD1 4.18Å; K96-L101 HydrophobicContact CB-CD2 4.01Å; K96-L101 HydrophobicContact CB-CG 3.87Å; K96-L101 HydrophobicContact CD-CD2 3.88Å; N97-L101 WeakPolarHBondContact O-CG 3.44Å; N97-L101 PolarHBondContact O-N 3.04Å; L98-L101 HydrophobicContact CD2-CD1 4.11Å; L101-R103 PolarHBondContact O-N 3.47Å; L101-S104 PolarHBondContact O-N 2.78Å; L101-S104 VanDerWaalsContact O-N 3.1Å; L101-S104 PolarHBondContact O-OG 3.26Å; L101-T105 PolarHBondContact O-N 3.01Å; L101-F110 HydrophobicContact CB-CE1 4.31Å; L101-F110 HydrophobicContact CB-CZ 4Å; L101-L146 HydrophobicContact CD1-CD1 3.57Å; L101-L146 HydrophobicContact CD1-CG 3.78Å; L101-L146 HydrophobicContact CD2-CD1 4.47Å; L101-W298 HydrophobicContact CB-CE3 4.11Å; L101-W298 HydrophobicContact CB-CZ3 4.49Å; L101-W298 HydrophobicContact CD1-CD2 4.34Å; L101-W298 HydrophobicContact CD1-CE3 4.33Å; L101-W298 HydrophobicContact CD1-CZ3 4.45Å; L101-W298 HydrophobicContact CD2-CB 4.05Å; L101-W298 HydrophobicContact CD2-CD2 3.99Å; L101-W298 HydrophobicContact CD2-CE3 4.27Å; L101-W298 HydrophobicContact CD2-CG 3.88Å; L101-W298 HydrophobicContact CG-CE3 4.47Å |
| 102 | R | 97.9 | Very high | 96.4 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.7 | -171.9 | 177 | 69.8 | 80.2 | -8.3 | 112.3 | L98 D100 S104 T105 G108 F110 E219 G223 | L98-R102 VanDerWaalsContact O-CB 3.28Å; L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 PolarHBondContact O-N 2.95Å; D100-R102 PolarHBondContact O-N 3.04Å; R102-S104 PolarHBondContact O-N 2.94Å; R102-T105 PolarHBondContact O-N 3.05Å; R102-T105 PolarHBondContact O-OG1 3.46Å; R102-G108 WeakPolarHBondContact CD-O 3.1Å; R102-G108 WeakPolarHBondContact CG-O 3.13Å; R102-G108 PolarHBondContact NH1-O 3.47Å; R102-G108 WeakPolarHBondContact O-CA 3.42Å; R102-F110 HydrophobicContact CB-CD2 4.47Å; R102-F110 HydrophobicContact CB-CE1 4.08Å; R102-F110 HydrophobicContact CB-CE2 3.84Å; R102-F110 HydrophobicContact CB-CZ 3.62Å; R102-F110 HydrophobicContact CG-CD2 4.5Å; R102-F110 HydrophobicContact CG-CE2 4.33Å; R102-F110 HydrophobicContact CG-CZ 4.39Å; R102-E219 IonicContact CZ-OE2 2.79Å; R102-E219 IonicContact NE-OE2 2.74Å; R102-E219 PolarHBondContact NE-OE2 2.93Å; R102-E219 IonicContact NH2-OE1 3.61Å; R102-E219 PolarHBondContact NH2-OE1 3.29Å; R102-E219 IonicContact NH2-OE2 3.57Å; R102-E219 PolarHBondContact NH2-OE2 2.89Å; R102-G223 PolarHBondContact NH1-O 3.24Å |
| 103 | R | 96.6 | Very high | 96.4 | Very high | 134 Ų | 134 | 58.3 Ų | 58.3 | 51% | 0.506 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -24.8 | 174.9 | -80.1 | -174.9 | -70.5 | -88.3 | 11.5 | 113.4 | A99 D100 L101 | A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 WeakPolarHBondContact O-CG 3.04Å; A99-R103 VanDerWaalsContact O-CZ 3.27Å; A99-R103 PolarHBondContact O-N 3.17Å; A99-R103 VanDerWaalsContact O-N 3.08Å; A99-R103 PolarHBondContact O-NE 2.81Å; A99-R103 PolarHBondContact O-NH1 3.15Å; D100-R103 VanDerWaalsContact CG-NH2 3.28Å; D100-R103 PolarHBondContact O-N 2.9Å; D100-R103 IonicContact OD1-CZ 2.66Å; D100-R103 VanDerWaalsContact OD1-CZ 3.29Å; D100-R103 IonicContact OD1-NE 3.85Å; D100-R103 PolarHBondContact OD1-NE 3.43Å; D100-R103 VanDerWaalsContact OD1-NE 3.15Å; D100-R103 IonicContact OD1-NH2 2.73Å; D100-R103 PolarHBondContact OD1-NH2 2.66Å; D100-R103 IonicContact OD2-NH2 3.38Å; L101-R103 PolarHBondContact O-N 3.47Å |
| 104 | S | 95.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -84.2 | -9.9 | 179 | 71.9 | 0 | 0 | 0 | 0 | 114.7 | D100 L101 R102 | D100-S104 WeakPolarHBondContact O-CB 3.27Å; D100-S104 PolarHBondContact O-N 3.31Å; D100-S104 PolarHBondContact O-OG 2.79Å; L101-S104 PolarHBondContact O-N 2.78Å; L101-S104 VanDerWaalsContact O-N 3.1Å; L101-S104 PolarHBondContact O-OG 3.26Å; R102-S104 PolarHBondContact O-N 2.94Å |
| 105 | T | 95 | Very high | 96.5 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 17% | 0.172 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -78.2 | 148.6 | 174 | 81.8 | 0 | 0 | 0 | 0 | 111.1 | L101 R102 R107 G108 C109 F110 | L101-T105 PolarHBondContact O-N 3.01Å; R102-T105 PolarHBondContact O-N 3.05Å; R102-T105 PolarHBondContact O-OG1 3.46Å; T105-R107 PolarHBondContact O-N 3.26Å; T105-G108 PolarHBondContact O-N 3.29Å; T105-G108 PolarHBondContact OG1-N 3.08Å; T105-C109 WeakPolarHBondContact CB-O 3.44Å; T105-C109 PolarHBondContact OG1-N 2.99Å; T105-C109 PolarHBondContact OG1-O 3.06Å; T105-F110 HydrophobicContact CG2-CD1 3.83Å; T105-F110 HydrophobicContact CG2-CE1 3.89Å |
| 106 | R | 90.8 | Very high | 96.6 | Very high | 232 Ų | 232 | 54 Ų | 54 | 88% | 0.875 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.6 | -173.6 | -63.1 | -172.6 | -178.2 | -155.1 | 1.6 | 115.2 | ||
| 107 | R | 92.5 | Very high | 96.7 | Very high | 196 Ų | 196 | 47.6 Ų | 47.6 | 74% | 0.74 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -1.6 | -179.2 | -69.2 | -177 | 178.3 | 178.5 | -1 | 113.2 | T105 C109 | T105-R107 PolarHBondContact O-N 3.26Å; R107-C109 VanDerWaalsContact CB-SG 3.59Å; R107-C109 PolarHBondContact O-N 3.31Å |
| 108 | G | 94.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 46 Ų | 46 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 66.9 | 13.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.1 | R102 T105 G223 | R102-G108 WeakPolarHBondContact CD-O 3.1Å; R102-G108 WeakPolarHBondContact CG-O 3.13Å; R102-G108 PolarHBondContact NH1-O 3.47Å; R102-G108 WeakPolarHBondContact O-CA 3.42Å; T105-G108 PolarHBondContact O-N 3.29Å; T105-G108 PolarHBondContact OG1-N 3.08Å; G108-G223 WeakPolarHBondContact O-CA 3.49Å |
| 109 | C | 96.5 | Very high | 96.7 | Very high | 30 Ų | 30 | 46 Ų | 46 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | trans | -122.4 | 162.3 | 175.6 | 68 | 0 | 0 | 0 | 0 | 110.1 | T105 R107 F220 | T105-C109 WeakPolarHBondContact CB-O 3.44Å; T105-C109 PolarHBondContact OG1-N 2.99Å; T105-C109 PolarHBondContact OG1-O 3.06Å; R107-C109 VanDerWaalsContact CB-SG 3.59Å; R107-C109 PolarHBondContact O-N 3.31Å; C109-F220 CarbonylContact C-O 3.52Å; C109-F220 VanDerWaalsContact CA-O 3.3Å; C109-F220 WeakPolarHBondContact CA-O 3.39Å; C109-F220 WeakPolarHBondContact CB-O 3.46Å | ||
| 110 | F | 97.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | trans | -99.2 | 158.9 | 169 | -68.8 | -45.7 | 0 | 0 | 0 | 110.7 | L101 R102 T105 T114 L118 F220 D297 W298 | L101-F110 HydrophobicContact CB-CE1 4.31Å; L101-F110 HydrophobicContact CB-CZ 4Å; R102-F110 HydrophobicContact CB-CD2 4.47Å; R102-F110 HydrophobicContact CB-CE1 4.08Å; R102-F110 HydrophobicContact CB-CE2 3.84Å; R102-F110 HydrophobicContact CB-CZ 3.62Å; R102-F110 HydrophobicContact CG-CD2 4.5Å; R102-F110 HydrophobicContact CG-CE2 4.33Å; R102-F110 HydrophobicContact CG-CZ 4.39Å; T105-F110 HydrophobicContact CG2-CD1 3.83Å; T105-F110 HydrophobicContact CG2-CE1 3.89Å; F110-T114 HydrophobicContact CB-CG2 3.81Å; F110-T114 HydrophobicContact CD1-CG2 3.85Å; F110-T114 HydrophobicContact CD2-CG2 4.15Å; F110-T114 HydrophobicContact CE1-CG2 4.43Å; F110-T114 HydrophobicContact CG-CG2 3.7Å; F110-L118 HydrophobicContact CD2-CD1 4.08Å; F110-L118 HydrophobicContact CE2-CD1 3.9Å; F110-F220 HydrophobicContact CD2-CB 3.99Å; F110-F220 HydrophobicContact CD2-CD1 4.18Å; F110-F220 AromaticContact CD2-CD2 3.74Å; F110-F220 HydrophobicContact CD2-CD2 3.74Å; F110-F220 HydrophobicContact CD2-CE2 4.22Å; F110-F220 AromaticContact CD2-CG 3.71Å; F110-F220 HydrophobicContact CD2-CG 3.71Å; F110-F220 HydrophobicContact CE2-CD1 4.25Å; F110-F220 HydrophobicContact CE2-CD2 4.05Å; F110-F220 HydrophobicContact CE2-CE1 4.23Å; F110-F220 HydrophobicContact CE2-CE2 4.06Å; F110-F220 HydrophobicContact CE2-CG 4.14Å; F110-F220 HydrophobicContact CE2-CZ 4.15Å; F110-F220 PolarHBondContact N-O 2.43Å; F110-D297 WeakPolarHBondContact CA-OD2 3.42Å; F110-D297 VanDerWaalsContact CB-OD2 3.3Å; F110-D297 WeakPolarHBondContact CB-OD2 3.37Å; F110-D297 HydrophobicContact CD1-CB 4.43Å; F110-D297 WeakPolarHBondContact CD1-OD2 3.22Å; F110-W298 HydrophobicContact CD1-CZ3 4.33Å; F110-W298 AromaticContact CE1-CE3 3.84Å; F110-W298 HydrophobicContact CE1-CE3 3.84Å; F110-W298 AromaticContact CE1-CZ3 3.69Å; F110-W298 HydrophobicContact CE1-CZ3 3.69Å; F110-W298 HydrophobicContact CZ-CE3 4.3Å; F110-W298 AromaticContact CZ-CZ3 3.83Å; F110-W298 HydrophobicContact CZ-CZ3 3.83Å | ||
| 111 | T | 96.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | trans | -64.8 | 158.6 | 164.7 | 66.9 | 0 | 0 | 0 | 0 | 110.2 | S113 T114 T115 D297 | T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 3.2Å; T111-T114 PolarHBondContact O-N 3.07Å; T111-T114 WeakPolarHBondContact OG1-CB 3.44Å; T111-T114 PolarHBondContact OG1-N 2.66Å; T111-T114 VanDerWaalsContact OG1-N 3.13Å; T111-T114 PolarHBondContact OG1-OG1 3.45Å; T111-T115 WeakPolarHBondContact O-CB 3.47Å; T111-T115 PolarHBondContact O-N 3.03Å; T111-T115 PolarHBondContact O-OG1 3.22Å; T111-D297 WeakPolarHBondContact CB-OD1 3.41Å; T111-D297 WeakPolarHBondContact CG2-OD1 3.33Å; T111-D297 PolarHBondContact N-OD2 3.14Å; T111-D297 PolarHBondContact OG1-OD1 2.81Å | ||
| 112 | I | 97 | Very high | 96.9 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.2 | -29.9 | 176.5 | -45.2 | -179.4 | 0 | 0 | 0 | 110.7 | T115 V116 I221 P253 Y284 | I112-T115 PolarHBondContact O-N 2.93Å; I112-V116 HydrophobicContact CG2-CG2 3.92Å; I112-V116 WeakPolarHBondContact O-CB 3.34Å; I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 3Å; I112-I221 HydrophobicContact CG1-CG1 4.46Å; I112-I221 HydrophobicContact CG2-CD1 4.39Å; I112-P253 HydrophobicContact CG2-CG 3.7Å; I112-Y284 HydrophobicContact CB-CE1 4.42Å; I112-Y284 HydrophobicContact CG2-CE1 3.59Å; I112-Y284 WeakPolarHBondContact CG2-OH 3.2Å |
| 113 | S | 97.7 | Very high | 96.9 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -52.3 | 171.8 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | T111 T115 R117 I290 | T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 3.2Å; S113-T115 VanDerWaalsContact C-N 3.34Å; S113-T115 PolarHBondContact O-N 3.03Å; S113-R117 WeakPolarHBondContact O-CG 3.17Å; S113-R117 PolarHBondContact O-N 2.64Å; S113-R117 PolarHBondContact O-NE 3.22Å; S113-R117 PolarHBondContact OG-NE 2.8Å; S113-R117 PolarHBondContact OG-NH2 3.48Å; S113-I290 WeakPolarHBondContact OG-CG2 3.43Å |
| 114 | T | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 174 | -74.7 | 0 | 0 | 0 | 0 | 111.1 | F110 T111 L118 F296 D297 W298 | F110-T114 HydrophobicContact CB-CG2 3.81Å; F110-T114 HydrophobicContact CD1-CG2 3.85Å; F110-T114 HydrophobicContact CD2-CG2 4.15Å; F110-T114 HydrophobicContact CE1-CG2 4.43Å; F110-T114 HydrophobicContact CG-CG2 3.7Å; T111-T114 PolarHBondContact O-N 3.07Å; T111-T114 WeakPolarHBondContact OG1-CB 3.44Å; T111-T114 PolarHBondContact OG1-N 2.66Å; T111-T114 VanDerWaalsContact OG1-N 3.13Å; T111-T114 PolarHBondContact OG1-OG1 3.45Å; T114-L118 HydrophobicContact CG2-CD1 3.75Å; T114-L118 HydrophobicContact CG2-CG 4.4Å; T114-L118 WeakPolarHBondContact O-CB 3.46Å; T114-L118 VanDerWaalsContact O-CG 3.24Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 2.64Å; T114-F296 HydrophobicContact CG2-CD1 3.95Å; T114-F296 WeakPolarHBondContact OG1-CA 3.41Å; T114-D297 WeakPolarHBondContact CB-OD1 3.17Å; T114-D297 WeakPolarHBondContact CB-OD2 3.45Å; T114-D297 PolarHBondContact OG1-N 3.48Å; T114-D297 VanDerWaalsContact OG1-N 3.1Å; T114-D297 PolarHBondContact OG1-OD1 3.17Å; T114-D297 PolarHBondContact OG1-OD2 2.77Å; T114-W298 HydrophobicContact CG2-CH2 4.08Å; T114-W298 HydrophobicContact CG2-CZ3 3.68Å |
| 115 | T | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -44.9 | -176.7 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | T111 I112 S113 L118 A119 L217 F220 I221 | T111-T115 WeakPolarHBondContact O-CB 3.47Å; T111-T115 PolarHBondContact O-N 3.03Å; T111-T115 PolarHBondContact O-OG1 3.22Å; I112-T115 PolarHBondContact O-N 2.93Å; S113-T115 VanDerWaalsContact C-N 3.34Å; S113-T115 PolarHBondContact O-N 3.03Å; T115-L118 PolarHBondContact O-N 2.91Å; T115-A119 WeakPolarHBondContact O-CB 3.45Å; T115-A119 PolarHBondContact O-N 3.02Å; T115-L217 HydrophobicContact CG2-CB 4.31Å; T115-L217 HydrophobicContact CG2-CD2 3.67Å; T115-F220 HydrophobicContact CG2-CB 3.94Å; T115-F220 HydrophobicContact CG2-CD2 4.26Å; T115-I221 HydrophobicContact CG2-CD1 4.03Å; T115-I221 HydrophobicContact CG2-CG1 3.9Å |
| 116 | V | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -75.1 | -34.5 | -175.7 | 174 | 0 | 0 | 0 | 0 | 112 | I112 A119 R120 F256 L281 Y284 M285 | I112-V116 HydrophobicContact CG2-CG2 3.92Å; I112-V116 WeakPolarHBondContact O-CB 3.34Å; I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 3Å; V116-A119 WeakPolarHBondContact O-CB 3.34Å; V116-A119 PolarHBondContact O-N 3.1Å; V116-R120 PolarHBondContact O-N 3.49Å; V116-F256 HydrophobicContact CG2-CE2 4.15Å; V116-F256 HydrophobicContact CG2-CZ 4.32Å; V116-L281 HydrophobicContact CG1-CB 4.18Å; V116-L281 HydrophobicContact CG1-CD2 4.11Å; V116-Y284 HydrophobicContact CB-CD1 4.26Å; V116-Y284 HydrophobicContact CG1-CD1 4.17Å; V116-Y284 HydrophobicContact CG2-CD1 3.78Å; V116-Y284 HydrophobicContact CG2-CE1 4.06Å; V116-M285 HydrophobicContact CG1-CG 3.68Å; V116-M285 HydrophobicContact CG1-SD 4Å |
| 117 | R | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 171.5 | -70.2 | 179.9 | -69.3 | 141 | -12.3 | 111.8 | S113 A119 R120 Q121 M285 I290 N291 E292 D294 P295 F296 | S113-R117 WeakPolarHBondContact O-CG 3.17Å; S113-R117 PolarHBondContact O-N 2.64Å; S113-R117 PolarHBondContact O-NE 3.22Å; S113-R117 PolarHBondContact OG-NE 2.8Å; S113-R117 PolarHBondContact OG-NH2 3.48Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 2.73Å; R117-R120 PolarHBondContact O-N 3.06Å; R117-Q121 PolarHBondContact O-N 3.47Å; R117-M285 HydrophobicContact CG-CE 3.79Å; R117-M285 HydrophobicContact CG-SD 4.01Å; R117-I290 HydrophobicContact CG-CG2 4.18Å; R117-N291 WeakPolarHBondContact CD-O 3.36Å; R117-E292 WeakPolarHBondContact CG-OE2 3.35Å; R117-D294 PolarHBondContact NH1-O 2.86Å; R117-P295 PolarHBondContact NH2-O 3.08Å; R117-F296 HydrophobicContact CB-CE1 3.91Å; R117-F296 HydrophobicContact CB-CZ 4.27Å |
| 118 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 169.3 | -73.8 | 174.2 | 0 | 0 | 0 | 111.8 | L98 F110 T114 T115 R120 Q121 M122 I160 F220 F296 W298 | L98-L118 HydrophobicContact CD1-CD1 4.36Å; L98-L118 HydrophobicContact CD1-CD2 4.11Å; L98-L118 HydrophobicContact CD2-CD1 4.11Å; L98-L118 HydrophobicContact CD2-CD2 3.74Å; F110-L118 HydrophobicContact CD2-CD1 4.08Å; F110-L118 HydrophobicContact CE2-CD1 3.9Å; T114-L118 HydrophobicContact CG2-CD1 3.75Å; T114-L118 HydrophobicContact CG2-CG 4.4Å; T114-L118 WeakPolarHBondContact O-CB 3.46Å; T114-L118 VanDerWaalsContact O-CG 3.24Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 2.64Å; T115-L118 PolarHBondContact O-N 2.91Å; L118-R120 PolarHBondContact O-N 2.74Å; L118-Q121 PolarHBondContact O-N 2.62Å; L118-M122 HydrophobicContact CB-CE 4.11Å; L118-M122 WeakPolarHBondContact O-CB 3.48Å; L118-M122 VanDerWaalsContact O-CG 3.29Å; L118-M122 WeakPolarHBondContact O-CG 3.48Å; L118-M122 PolarHBondContact O-N 2.63Å; L118-I160 HydrophobicContact CD2-CG2 3.57Å; L118-F220 HydrophobicContact CD1-CD2 4.44Å; L118-F220 HydrophobicContact CD1-CE2 4.12Å; L118-F296 HydrophobicContact CG-CE1 4.28Å; L118-W298 HydrophobicContact CD1-CH2 4.06Å; L118-W298 HydrophobicContact CD1-CZ3 4.27Å; L118-W298 HydrophobicContact CD2-CH2 4.18Å; L118-W298 HydrophobicContact CG-CH2 4.39Å |
| 119 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T115 V116 R117 Q121 M122 L123 L217 L281 | T115-A119 WeakPolarHBondContact O-CB 3.45Å; T115-A119 PolarHBondContact O-N 3.02Å; V116-A119 WeakPolarHBondContact O-CB 3.34Å; V116-A119 PolarHBondContact O-N 3.1Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 2.73Å; A119-Q121 PolarHBondContact O-N 3.3Å; A119-M122 PolarHBondContact O-N 2.87Å; A119-L123 WeakPolarHBondContact O-CB 3.4Å; A119-L123 PolarHBondContact O-N 2.86Å; A119-L217 HydrophobicContact CB-CD1 3.75Å; A119-L217 HydrophobicContact CB-CD2 3.66Å; A119-L217 HydrophobicContact CB-CG 4.38Å; A119-L281 HydrophobicContact CB-CD1 3.91Å; A119-L281 HydrophobicContact CB-CD2 3.89Å |
| 120 | R | 98.3 | Very high | 98.3 | Very high | 66 Ų | 66 | 16.3 Ų | 16.3 | 25% | 0.249 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56 | -51 | 174.2 | -88.6 | 168.2 | 52.5 | 76.9 | 1.8 | 111.4 | V116 R117 L118 M122 L123 V124 H278 L281 N282 M285 E292 | V116-R120 PolarHBondContact O-N 3.49Å; R117-R120 PolarHBondContact O-N 3.06Å; L118-R120 PolarHBondContact O-N 2.74Å; R120-M122 PolarHBondContact O-N 2.92Å; R120-L123 PolarHBondContact O-N 3.15Å; R120-V124 WeakPolarHBondContact O-CG2 3.47Å; R120-V124 PolarHBondContact O-N 3.38Å; R120-V124 VanDerWaalsContact O-N 3.13Å; R120-H278 PolarHBondContact O-CE1 3.45Å; R120-L281 HydrophobicContact CG-CB 3.95Å; R120-L281 HydrophobicContact CG-CD1 4.06Å; R120-N282 PolarHBondContact NH1-OD1 2.84Å; R120-M285 WeakPolarHBondContact CD-SD 3.26Å; R120-E292 IonicContact CZ-OE1 3.65Å; R120-E292 IonicContact NE-OE1 3.51Å; R120-E292 PolarHBondContact NE-OE1 2.85Å; R120-E292 IonicContact NH2-OE1 3.38Å; R120-E292 PolarHBondContact NH2-OE1 3.25Å |
| 121 | Q | 98.5 | Very high | 98.3 | Very high | 22 Ų | 22 | 19 Ų | 19 | 10% | 0.103 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | -179.6 | -63 | -170.1 | 33.9 | 0 | 0 | 112.8 | H73 R117 L118 A119 L123 V124 A125 R158 Q159 I160 | H73-Q121 PolarHBondContact CD2-O 3.47Å; H73-Q121 PolarHBondContact CE1-OE1 3.13Å; R117-Q121 PolarHBondContact O-N 3.47Å; L118-Q121 PolarHBondContact O-N 2.62Å; A119-Q121 PolarHBondContact O-N 3.3Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 2.9Å; Q121-V124 PolarHBondContact O-N 3.11Å; Q121-A125 WeakPolarHBondContact O-CB 3.47Å; Q121-A125 PolarHBondContact O-N 3.44Å; Q121-R158 PolarHBondContact NE2-O 2.87Å; Q121-R158 VanDerWaalsContact NE2-O 3.13Å; Q121-Q159 VanDerWaalsContact OE1-CA 3.28Å; Q121-I160 HydrophobicContact CB-CD1 3.67Å; Q121-I160 HydrophobicContact CB-CG1 3.85Å |
| 122 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -36.6 | 176.5 | -71 | -173.6 | -67.2 | 0 | 0 | 112 | L98 L118 A119 R120 A125 I126 F144 I160 L213 M216 L217 F220 | L98-M122 HydrophobicContact CD1-SD 3.96Å; L118-M122 HydrophobicContact CB-CE 4.11Å; L118-M122 WeakPolarHBondContact O-CB 3.48Å; L118-M122 VanDerWaalsContact O-CG 3.29Å; L118-M122 WeakPolarHBondContact O-CG 3.48Å; L118-M122 PolarHBondContact O-N 2.63Å; A119-M122 PolarHBondContact O-N 2.87Å; R120-M122 PolarHBondContact O-N 2.92Å; M122-A125 PolarHBondContact O-N 2.74Å; M122-I126 WeakPolarHBondContact O-CB 3.21Å; M122-I126 VanDerWaalsContact O-CG1 3.3Å; M122-I126 WeakPolarHBondContact O-CG1 3.26Å; M122-I126 PolarHBondContact O-N 3.06Å; M122-F144 HydrophobicContact CB-CE1 4.1Å; M122-F144 HydrophobicContact CB-CZ 4.04Å; M122-F144 HydrophobicContact CG-CD1 3.95Å; M122-F144 HydrophobicContact CG-CD2 4.33Å; M122-F144 HydrophobicContact CG-CE1 3.71Å; M122-F144 HydrophobicContact CG-CE2 4.11Å; M122-F144 HydrophobicContact CG-CG 4.23Å; M122-F144 HydrophobicContact CG-CZ 3.78Å; M122-F144 HydrophobicContact SD-CD2 3.93Å; M122-F144 HydrophobicContact SD-CE1 4.48Å; M122-F144 HydrophobicContact SD-CE2 3.83Å; M122-F144 HydrophobicContact SD-CG 4.28Å; M122-F144 HydrophobicContact SD-CZ 4.11Å; M122-I160 HydrophobicContact CB-CD1 4.18Å; M122-I160 HydrophobicContact CG-CD1 3.31Å; M122-L213 HydrophobicContact CB-CD1 3.86Å; M122-L213 HydrophobicContact CE-CD1 3.6Å; M122-L213 HydrophobicContact SD-CD1 4.07Å; M122-M216 HydrophobicContact CE-CE 4.25Å; M122-M216 HydrophobicContact SD-CE 3.35Å; M122-M216 WeakPolarHBondContact SD-CE 3.39Å; M122-L217 HydrophobicContact CE-CD2 3.63Å; M122-F220 HydrophobicContact CE-CE2 3.85Å; M122-F220 HydrophobicContact SD-CE2 4.44Å |
| 123 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.6 | -172.5 | 60.3 | 0 | 0 | 0 | 111.6 | A119 R120 Q121 A125 I126 E127 L210 L213 Y274 L277 H278 L281 | A119-L123 WeakPolarHBondContact O-CB 3.4Å; A119-L123 PolarHBondContact O-N 2.86Å; R120-L123 PolarHBondContact O-N 3.15Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 2.9Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.21Å; L123-I126 PolarHBondContact O-N 3.02Å; L123-E127 WeakPolarHBondContact O-CB 3.49Å; L123-E127 PolarHBondContact O-N 3.24Å; L123-L210 HydrophobicContact CD1-CD2 3.63Å; L123-L213 HydrophobicContact CD1-CD2 4.36Å; L123-Y274 HydrophobicContact CD1-CD1 3.98Å; L123-L277 HydrophobicContact CD1-CB 4.42Å; L123-L277 HydrophobicContact CD1-CD1 4.27Å; L123-L277 HydrophobicContact CD2-CB 3.64Å; L123-H278 HydrophobicContact CD2-CB 4.49Å; L123-L281 HydrophobicContact CD2-CD1 4.12Å |
| 124 | V | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 13.6 Ų | 13.6 | 29% | 0.291 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 172.7 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | R120 Q121 N128 | R120-V124 WeakPolarHBondContact O-CG2 3.47Å; R120-V124 PolarHBondContact O-N 3.38Å; R120-V124 VanDerWaalsContact O-N 3.13Å; Q121-V124 PolarHBondContact O-N 3.11Å; V124-N128 WeakPolarHBondContact O-CB 3.5Å; V124-N128 PolarHBondContact O-N 3.05Å; V124-N128 PolarHBondContact O-ND2 3Å |
| 125 | A | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 2% | 0.017 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H73 Q121 M122 L123 N128 V129 F144 L162 | H73-A125 HydrophobicContact CB-CB 3.67Å; Q121-A125 WeakPolarHBondContact O-CB 3.47Å; Q121-A125 PolarHBondContact O-N 3.44Å; M122-A125 PolarHBondContact O-N 2.74Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.21Å; A125-N128 PolarHBondContact O-N 3.31Å; A125-V129 WeakPolarHBondContact O-CG2 3.4Å; A125-V129 PolarHBondContact O-N 2.93Å; A125-F144 HydrophobicContact CB-CE1 4.09Å; A125-L162 HydrophobicContact CB-CB 4.24Å; A125-L162 HydrophobicContact CB-CD2 4.32Å |
| 126 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66 | -46.3 | 177.2 | -70.6 | 166.2 | 0 | 0 | 0 | 110.8 | M122 L123 N128 V129 H130 I139 D209 L210 L213 | M122-I126 WeakPolarHBondContact O-CB 3.21Å; M122-I126 VanDerWaalsContact O-CG1 3.3Å; M122-I126 WeakPolarHBondContact O-CG1 3.26Å; M122-I126 PolarHBondContact O-N 3.06Å; L123-I126 PolarHBondContact O-N 3.02Å; I126-N128 VanDerWaalsContact C-N 3.29Å; I126-N128 PolarHBondContact O-N 2.73Å; I126-V129 PolarHBondContact O-N 2.89Å; I126-H130 WeakPolarHBondContact CG2-CE1 3.37Å; I126-H130 PolarHBondContact O-CD2 3.22Å; I126-H130 VanDerWaalsContact O-CG 3.32Å; I126-H130 PolarHBondContact O-N 3.13Å; I126-I139 HydrophobicContact CD1-CD1 4.02Å; I126-I139 HydrophobicContact CD1-CG1 4.23Å; I126-I139 HydrophobicContact CD1-CG2 4.13Å; I126-I139 HydrophobicContact CG1-CD1 3.69Å; I126-I139 HydrophobicContact CG1-CG1 4.27Å; I126-D209 HydrophobicContact CG2-CB 4.4Å; I126-L210 HydrophobicContact CG2-CD2 4.05Å; I126-L213 HydrophobicContact CD1-CB 4.06Å; I126-L213 HydrophobicContact CD1-CD2 4.09Å |
| 127 | E | 98.7 | Very high | 98.5 | Very high | 25 Ų | 25 | 15.4 Ų | 15.4 | 12% | 0.117 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | 175.3 | 174 | 159.6 | -153.5 | 0 | 0 | 111.5 | L123 V129 H130 N131 R271 Y274 | L123-E127 WeakPolarHBondContact O-CB 3.49Å; L123-E127 PolarHBondContact O-N 3.24Å; E127-V129 VanDerWaalsContact C-N 3.32Å; E127-V129 PolarHBondContact O-N 2.72Å; E127-H130 PolarHBondContact O-N 3.28Å; E127-N131 WeakPolarHBondContact CG-ND2 3.28Å; E127-N131 VanDerWaalsContact O-CB 3.27Å; E127-N131 WeakPolarHBondContact O-CB 3.47Å; E127-N131 VanDerWaalsContact O-CG 3.31Å; E127-N131 PolarHBondContact O-N 3.43Å; E127-N131 PolarHBondContact OE1-ND2 2.98Å; E127-R271 IonicContact OE1-CZ 2.64Å; E127-R271 IonicContact OE1-NH2 2.8Å; E127-R271 PolarHBondContact OE1-NH2 2.99Å; E127-Y274 HydrophobicContact CB-CD1 3.85Å; E127-Y274 HydrophobicContact CB-CD2 4.42Å; E127-Y274 HydrophobicContact CB-CE1 4.12Å; E127-Y274 HydrophobicContact CB-CG 4.03Å; E127-Y274 HydrophobicContact CG-CD1 4.4Å; E127-Y274 HydrophobicContact CG-CD2 4.08Å; E127-Y274 HydrophobicContact CG-CE2 4.36Å; E127-Y274 HydrophobicContact CG-CG 4.11Å; E127-Y274 WeakPolarHBondContact OE1-CD2 3.25Å; E127-Y274 VanDerWaalsContact OE2-CB 3.22Å; E127-Y274 WeakPolarHBondContact OE2-CB 3.16Å |
| 128 | N | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 15.9 Ų | 15.9 | 10% | 0.102 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 176.6 | -86.7 | -38 | 0 | 0 | 0 | 112.9 | L68 R71 A72 V124 A125 I126 V132 | L68-N128 HydrophobicContact CD2-CB 4.33Å; L68-N128 WeakPolarHBondContact CD2-O 3.13Å; R71-N128 HydrophobicContact CB-CB 4.45Å; R71-N128 WeakPolarHBondContact CD-OD1 2.88Å; R71-N128 PolarHBondContact NH1-OD1 2.66Å; A72-N128 PolarHBondContact O-ND2 3.49Å; V124-N128 WeakPolarHBondContact O-CB 3.5Å; V124-N128 PolarHBondContact O-N 3.05Å; V124-N128 PolarHBondContact O-ND2 3Å; A125-N128 PolarHBondContact O-N 3.31Å; I126-N128 VanDerWaalsContact C-N 3.29Å; I126-N128 PolarHBondContact O-N 2.73Å; N128-V132 PolarHBondContact O-N 3.11Å |
| 129 | V | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | L68 A125 I126 E127 N131 V132 F134 L162 F165 | L68-V129 HydrophobicContact CD1-CG2 4.1Å; L68-V129 HydrophobicContact CD2-CG2 4.38Å; A125-V129 WeakPolarHBondContact O-CG2 3.4Å; A125-V129 PolarHBondContact O-N 2.93Å; I126-V129 PolarHBondContact O-N 2.89Å; E127-V129 VanDerWaalsContact C-N 3.32Å; E127-V129 PolarHBondContact O-N 2.72Å; V129-N131 PolarHBondContact O-N 3.1Å; V129-V132 VanDerWaalsContact O-CG2 3.24Å; V129-V132 WeakPolarHBondContact O-CG2 3.08Å; V129-V132 PolarHBondContact O-N 3.43Å; V129-F134 CarbonylContact C-O 3.54Å; V129-F134 HydrophobicContact CG1-CB 3.88Å; V129-F134 PolarHBondContact O-N 3.48Å; V129-L162 HydrophobicContact CG2-CD2 3.64Å; V129-F165 HydrophobicContact CG2-CE1 3.94Å |
| 130 | H | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 2% | 0.023 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.2 | -37.6 | -179.7 | -65.4 | 176.6 | 0 | 0 | 0 | 112.3 | I126 E127 V132 G133 F134 F171 R206 D209 Y274 | I126-H130 WeakPolarHBondContact CG2-CE1 3.37Å; I126-H130 PolarHBondContact O-CD2 3.22Å; I126-H130 VanDerWaalsContact O-CG 3.32Å; I126-H130 PolarHBondContact O-N 3.13Å; E127-H130 PolarHBondContact O-N 3.28Å; H130-V132 VanDerWaalsContact C-N 3.27Å; H130-V132 PolarHBondContact O-N 3.25Å; H130-G133 PolarHBondContact O-N 2.78Å; H130-G133 VanDerWaalsContact O-N 3.12Å; H130-F134 WeakPolarHBondContact CA-O 3.48Å; H130-F134 PolarHBondContact CD2-O 2.68Å; H130-F134 VanDerWaalsContact CD2-O 3.25Å; H130-F171 WeakPolarHBondContact O-CE1 3.17Å; H130-F171 WeakPolarHBondContact O-CZ 3.23Å; H130-R206 HydrophobicContact CB-CG 4.39Å; H130-R206 PolarHBondContact CE1-O 2.67Å; H130-D209 IonicContact NE2-OD2 2.77Å; H130-Y274 AromaticContact ND1-CE1 3.99Å; H130-Y274 AromaticContact ND1-CZ 3.76Å; H130-Y274 PolarHBondContact ND1-OH 3.25Å |
| 131 | N | 97.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 14.4 Ų | 14.4 | 34% | 0.342 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -10.7 | 178.6 | -73.5 | -13 | 0 | 0 | 0 | 113.9 | E127 V129 R271 | E127-N131 WeakPolarHBondContact CG-ND2 3.28Å; E127-N131 VanDerWaalsContact O-CB 3.27Å; E127-N131 WeakPolarHBondContact O-CB 3.47Å; E127-N131 VanDerWaalsContact O-CG 3.31Å; E127-N131 PolarHBondContact O-N 3.43Å; E127-N131 PolarHBondContact OE1-ND2 2.98Å; V129-N131 PolarHBondContact O-N 3.1Å; N131-R271 PolarHBondContact OD1-NH1 3.35Å |
| 132 | V | 97.4 | Very high | 98.4 | Very high | 22 Ų | 22 | 15.7 Ų | 15.7 | 13% | 0.133 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 10.8 | 167.9 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | R67 L68 N128 V129 H130 F134 | R67-V132 HydrophobicContact CB-CB 4.27Å; R67-V132 HydrophobicContact CB-CG2 4.48Å; L68-V132 HydrophobicContact CD2-CG1 4.22Å; L68-V132 HydrophobicContact CD2-CG2 3.6Å; L68-V132 HydrophobicContact CG-CG2 4.1Å; N128-V132 PolarHBondContact O-N 3.11Å; V129-V132 VanDerWaalsContact O-CG2 3.24Å; V129-V132 WeakPolarHBondContact O-CG2 3.08Å; V129-V132 PolarHBondContact O-N 3.43Å; H130-V132 VanDerWaalsContact C-N 3.27Å; H130-V132 PolarHBondContact O-N 3.25Å; V132-F134 HydrophobicContact CG2-CD2 4.13Å; V132-F134 VanDerWaalsContact O-CD2 3.31Å; V132-F134 WeakPolarHBondContact O-CD2 3.45Å |
| 133 | G | 97.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 16.1 Ų | 16.1 | 6% | 0.062 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 12.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | H130 Q170 F171 T172 | H130-G133 PolarHBondContact O-N 2.78Å; H130-G133 VanDerWaalsContact O-N 3.12Å; G133-Q170 CarbonylContact O-C 3.47Å; G133-Q170 VanDerWaalsContact O-CA 3.3Å; G133-Q170 WeakPolarHBondContact O-CA 3.31Å; G133-Q170 VanDerWaalsContact O-CG 3.24Å; G133-Q170 WeakPolarHBondContact O-CG 3.32Å; G133-F171 VanDerWaalsContact C-CD1 3.42Å; G133-F171 WeakPolarHBondContact O-CD1 3.49Å; G133-F171 PolarHBondContact O-N 3.22Å; G133-T172 WeakPolarHBondContact CA-OG1 3.47Å; G133-T172 PolarHBondContact O-N 3.18Å |
| 134 | F | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 1% | 0.013 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 156.8 | -179.7 | -69.2 | -93.3 | 0 | 0 | 0 | 112.7 | M60 V64 V129 H130 V132 R169 Q170 F171 | M60-F134 HydrophobicContact SD-CD1 4.48Å; M60-F134 HydrophobicContact SD-CE1 3.58Å; M60-F134 VanDerWaalsContact SD-CE1 3.58Å; M60-F134 HydrophobicContact SD-CZ 4.31Å; V64-F134 HydrophobicContact CG2-CD1 3.47Å; V64-F134 VanDerWaalsContact CG2-CD1 3.47Å; V64-F134 HydrophobicContact CG2-CD2 4.12Å; V64-F134 HydrophobicContact CG2-CE1 3.56Å; V64-F134 HydrophobicContact CG2-CE2 4.19Å; V64-F134 HydrophobicContact CG2-CG 3.77Å; V64-F134 HydrophobicContact CG2-CZ 3.94Å; V129-F134 CarbonylContact C-O 3.54Å; V129-F134 HydrophobicContact CG1-CB 3.88Å; V129-F134 PolarHBondContact O-N 3.48Å; H130-F134 WeakPolarHBondContact CA-O 3.48Å; H130-F134 PolarHBondContact CD2-O 2.68Å; H130-F134 VanDerWaalsContact CD2-O 3.25Å; V132-F134 HydrophobicContact CG2-CD2 4.13Å; V132-F134 VanDerWaalsContact O-CD2 3.31Å; V132-F134 WeakPolarHBondContact O-CD2 3.45Å; F134-R169 CarbonylContact C-O 3.43Å; F134-R169 WeakPolarHBondContact CA-O 3.43Å; F134-Q170 HydrophobicContact CD1-CB 3.91Å; F134-Q170 HydrophobicContact CD1-CG 4.48Å; F134-Q170 HydrophobicContact CE1-CB 3.54Å; F134-Q170 HydrophobicContact CE1-CG 4.11Å; F134-Q170 HydrophobicContact CE2-CG 4.31Å; F134-Q170 HydrophobicContact CZ-CB 3.94Å; F134-Q170 HydrophobicContact CZ-CG 4.02Å; F134-F171 VanDerWaalsContact C-CD1 3.49Å; F134-F171 WeakPolarHBondContact O-CE1 3.13Å |
| 135 | L | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148.1 | 160.9 | -56.6 | 177.9 | 0 | 0 | 0 | 108.3 | R137 A168 R169 F171 L204 R206 | L135-R137 HydrophobicContact CB-CG 3.69Å; L135-A168 CarbonylContact O-C 3.59Å; L135-A168 WeakPolarHBondContact O-CA 3.33Å; L135-A168 WeakPolarHBondContact O-CB 3.48Å; L135-R169 PolarHBondContact N-O 3.23Å; L135-R169 PolarHBondContact O-N 3.05Å; L135-F171 HydrophobicContact CD1-CB 4.16Å; L135-F171 HydrophobicContact CD2-CD1 3.67Å; L135-F171 HydrophobicContact CD2-CE1 4.09Å; L135-F171 HydrophobicContact CD2-CG 4.23Å; L135-F171 HydrophobicContact CG-CB 4.05Å; L135-F171 HydrophobicContact CG-CD1 3.72Å; L135-F171 HydrophobicContact CG-CG 4.15Å; L135-L204 HydrophobicContact CD1-CB 4.46Å; L135-L204 WeakPolarHBondContact CD1-O 3.35Å; L135-R206 HydrophobicContact CD2-CB 4.25Å; L135-R206 HydrophobicContact CD2-CG 3.66Å |
| 136 | H | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | trans | -81.9 | -47.1 | 178.1 | -168.8 | -96.5 | 0 | 0 | 0 | 111.3 | D138 I139 L163 D164 F165 L167 D209 | H136-D138 PolarHBondContact O-N 3.14Å; H136-I139 HydrophobicContact CB-CD1 3.82Å; H136-I139 HydrophobicContact CB-CG1 3.96Å; H136-I139 WeakPolarHBondContact ND1-CD1 3.28Å; H136-I139 PolarHBondContact ND1-N 3.37Å; H136-L163 PolarHBondContact NE2-O 3.36Å; H136-D164 PolarHBondContact NE2-O 3.32Å; H136-F165 AromaticContact CD2-CD1 3.68Å; H136-F165 AromaticContact CD2-CE1 3.85Å; H136-L167 CarbonylContact O-C 3.57Å; H136-D209 WeakPolarHBondContact CA-OD2 3.16Å; H136-D209 PolarHBondContact N-OD2 3.19Å | ||
| 137 | R | 98.4 | Very high | 98.2 | Very high | 35 Ų | 35 | 14.8 Ų | 14.8 | 13% | 0.132 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 64.3 | 6.8 | 175.9 | -48.5 | -171.9 | -56.5 | 161.4 | 1.5 | 116.8 | L135 L167 G189 L204 D209 | L135-R137 HydrophobicContact CB-CG 3.69Å; R137-L167 VanDerWaalsContact CZ-O 3.24Å; R137-L167 PolarHBondContact NE-O 3.27Å; R137-L167 PolarHBondContact NH2-O 2.85Å; R137-G189 WeakPolarHBondContact O-CA 3.5Å; R137-L204 HydrophobicContact CB-CD1 4.02Å; R137-L204 HydrophobicContact CG-CB 4.49Å; R137-L204 HydrophobicContact CG-CD1 4.07Å; R137-D209 VanDerWaalsContact CA-OD1 3.26Å; R137-D209 WeakPolarHBondContact CA-OD1 3.38Å; R137-D209 PolarHBondContact N-OD1 3.25Å; R137-D209 PolarHBondContact N-OD2 3.28Å |
| 138 | D | 98 | Very high | 98 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | trans | -146.2 | 43.6 | 171.8 | -161.4 | 24.9 | 0 | 0 | 0 | 111.9 | H136 K140 L167 G189 T190 | H136-D138 PolarHBondContact O-N 3.14Å; D138-K140 PolarHBondContact O-N 3.43Å; D138-K140 IonicContact OD1-NZ 2.92Å; D138-K140 WeakPolarHBondContact OD2-CE 3.47Å; D138-K140 IonicContact OD2-NZ 2.66Å; D138-K140 PolarHBondContact OD2-NZ 2.88Å; D138-L167 HydrophobicContact CB-CB 4.36Å; D138-L167 HydrophobicContact CB-CD1 3.82Å; D138-G189 VanDerWaalsContact OD1-CA 3.23Å; D138-G189 WeakPolarHBondContact OD1-CA 3.41Å; D138-T190 VanDerWaalsContact OD1-CB 3.26Å; D138-T190 WeakPolarHBondContact OD1-CB 3.49Å; D138-T190 PolarHBondContact OD1-N 2.97Å; D138-T190 PolarHBondContact OD1-OG1 2.94Å | ||
| 139 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | trans | -62.1 | 115.5 | 173.5 | -69.4 | -65.1 | 0 | 0 | 0 | 109.3 | I126 H136 F144 L162 D209 M216 | I126-I139 HydrophobicContact CD1-CD1 4.02Å; I126-I139 HydrophobicContact CD1-CG1 4.23Å; I126-I139 HydrophobicContact CD1-CG2 4.13Å; I126-I139 HydrophobicContact CG1-CD1 3.69Å; I126-I139 HydrophobicContact CG1-CG1 4.27Å; H136-I139 HydrophobicContact CB-CD1 3.82Å; H136-I139 HydrophobicContact CB-CG1 3.96Å; H136-I139 WeakPolarHBondContact ND1-CD1 3.28Å; H136-I139 PolarHBondContact ND1-N 3.37Å; I139-F144 HydrophobicContact CD1-CE2 4.32Å; I139-F144 HydrophobicContact CD1-CZ 3.94Å; I139-F144 HydrophobicContact CG2-CE2 4.12Å; I139-F144 HydrophobicContact CG2-CZ 4.44Å; I139-L162 HydrophobicContact CD1-CD1 3.98Å; I139-L162 HydrophobicContact CD1-CD2 4.42Å; I139-D209 HydrophobicContact CG1-CB 3.89Å; I139-D209 VanDerWaalsContact CG1-OD1 3.31Å; I139-D209 WeakPolarHBondContact CG1-OD1 3.29Å; I139-M216 HydrophobicContact CG2-SD 3.76Å | ||
| 140 | K | 98.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 22.6 Ų | 22.6 | 14% | 0.143 | 13% | 0.133 | C | C | . | . | trans | -159.2 | 159 | -176.7 | 68.2 | -166.1 | -178.7 | -166.2 | 0 | 111.8 | D138 S142 N143 F144 T190 Y193 M216 | D138-K140 PolarHBondContact O-N 3.43Å; D138-K140 IonicContact OD1-NZ 2.92Å; D138-K140 WeakPolarHBondContact OD2-CE 3.47Å; D138-K140 IonicContact OD2-NZ 2.66Å; D138-K140 PolarHBondContact OD2-NZ 2.88Å; K140-S142 VanDerWaalsContact C-N 3.25Å; K140-S142 VanDerWaalsContact CE-OG 3.23Å; K140-S142 WeakPolarHBondContact CE-OG 3.44Å; K140-S142 WeakPolarHBondContact CG-OG 3.3Å; K140-S142 PolarHBondContact O-N 3.23Å; K140-S142 VanDerWaalsContact O-N 3.11Å; K140-N143 VanDerWaalsContact CE-CG 3.44Å; K140-N143 WeakPolarHBondContact CE-OD1 3.32Å; K140-N143 HydrophobicContact CG-CB 4.05Å; K140-N143 PolarHBondContact O-N 2.87Å; K140-F144 WeakPolarHBondContact O-CD2 3.49Å; K140-T190 HydrophobicContact CD-CG2 4.28Å; K140-T190 WeakPolarHBondContact CD-OG1 3.46Å; K140-T190 PolarHBondContact NZ-OG1 2.8Å; K140-Y193 HydrophobicContact CB-CD2 3.47Å; K140-Y193 VanDerWaalsContact CB-CD2 3.47Å; K140-Y193 HydrophobicContact CB-CE2 3.68Å; K140-Y193 HydrophobicContact CB-CG 4.26Å; K140-M216 VanDerWaalsContact C-SD 3.52Å; K140-M216 WeakPolarHBondContact CA-SD 3.49Å | ||
| 141 | P | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -64.2 | -20.4 | -173.5 | -21.9 | 33.8 | 0 | 0 | 0 | 115.5 | L98 A99 N143 Y193 M216 F220 | L98-P141 WeakPolarHBondContact CA-O 3.47Å; L98-P141 HydrophobicContact CB-CB 4.25Å; L98-P141 WeakPolarHBondContact CB-O 3.29Å; L98-P141 PolarHBondContact N-O 2.81Å; L98-P141 VanDerWaalsContact N-O 3.1Å; A99-P141 HydrophobicContact CB-CB 3.85Å; A99-P141 PolarHBondContact N-O 3.22Å; P141-N143 VanDerWaalsContact C-N 3.32Å; P141-Y193 WeakPolarHBondContact CD-OH 3.41Å; P141-Y193 HydrophobicContact CG-CE1 4.09Å; P141-M216 HydrophobicContact CB-CE 4.28Å; P141-M216 HydrophobicContact CG-CE 3.94Å; P141-M216 HydrophobicContact CG-CG 3.9Å; P141-M216 HydrophobicContact CG-SD 4.28Å; P141-F220 HydrophobicContact CB-CE1 3.79Å; P141-F220 HydrophobicContact CB-CZ 4.03Å; P141-F220 HydrophobicContact CG-CE1 3.64Å; P141-F220 HydrophobicContact CG-CZ 4.15Å |
| 142 | S | 97.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 21.8 Ų | 21.8 | 34% | 0.343 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -77.6 | -19.6 | 174.9 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | N97 K140 F144 | N97-S142 WeakPolarHBondContact CB-O 3.32Å; K140-S142 VanDerWaalsContact C-N 3.25Å; K140-S142 VanDerWaalsContact CE-OG 3.23Å; K140-S142 WeakPolarHBondContact CE-OG 3.44Å; K140-S142 WeakPolarHBondContact CG-OG 3.3Å; K140-S142 PolarHBondContact O-N 3.23Å; K140-S142 VanDerWaalsContact O-N 3.11Å; S142-F144 VanDerWaalsContact C-N 3.35Å |
| 143 | N | 98.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -97.3 | 9 | -175.8 | -69.7 | 31 | 0 | 0 | 0 | 112 | K140 P141 L162 L163 | K140-N143 VanDerWaalsContact CE-CG 3.44Å; K140-N143 WeakPolarHBondContact CE-OD1 3.32Å; K140-N143 HydrophobicContact CG-CB 4.05Å; K140-N143 PolarHBondContact O-N 2.87Å; P141-N143 VanDerWaalsContact C-N 3.32Å; N143-L162 CarbonylContact O-C 3.44Å; N143-L162 WeakPolarHBondContact O-CA 3.3Å; N143-L163 WeakPolarHBondContact CB-O 3.35Å; N143-L163 PolarHBondContact ND2-O 3.45Å; N143-L163 WeakPolarHBondContact O-CB 3.44Å; N143-L163 PolarHBondContact O-N 3.45Å |
| 144 | F | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.5 | 163.9 | -64.5 | -85.5 | 0 | 0 | 0 | 108.5 | N97 L98 M122 A125 I139 K140 S142 I160 V161 L162 M216 | N97-F144 CarbonylContact C-O 3.44Å; N97-F144 WeakPolarHBondContact CA-O 3.4Å; N97-F144 WeakPolarHBondContact CB-O 3.14Å; L98-F144 HydrophobicContact CD1-CB 3.63Å; L98-F144 HydrophobicContact CD1-CG 4.31Å; L98-F144 HydrophobicContact CG-CB 3.87Å; L98-F144 PolarHBondContact N-O 3.21Å; M122-F144 HydrophobicContact CB-CE1 4.1Å; M122-F144 HydrophobicContact CB-CZ 4.04Å; M122-F144 HydrophobicContact CG-CD1 3.95Å; M122-F144 HydrophobicContact CG-CD2 4.33Å; M122-F144 HydrophobicContact CG-CE1 3.71Å; M122-F144 HydrophobicContact CG-CE2 4.11Å; M122-F144 HydrophobicContact CG-CG 4.23Å; M122-F144 HydrophobicContact CG-CZ 3.78Å; M122-F144 HydrophobicContact SD-CD2 3.93Å; M122-F144 HydrophobicContact SD-CE1 4.48Å; M122-F144 HydrophobicContact SD-CE2 3.83Å; M122-F144 HydrophobicContact SD-CG 4.28Å; M122-F144 HydrophobicContact SD-CZ 4.11Å; A125-F144 HydrophobicContact CB-CE1 4.09Å; I139-F144 HydrophobicContact CD1-CE2 4.32Å; I139-F144 HydrophobicContact CD1-CZ 3.94Å; I139-F144 HydrophobicContact CG2-CE2 4.12Å; I139-F144 HydrophobicContact CG2-CZ 4.44Å; K140-F144 WeakPolarHBondContact O-CD2 3.49Å; S142-F144 VanDerWaalsContact C-N 3.35Å; F144-I160 HydrophobicContact CD1-CD1 3.64Å; F144-I160 HydrophobicContact CD1-CG1 4.28Å; F144-I160 HydrophobicContact CE1-CD1 4.13Å; F144-I160 HydrophobicContact CG-CD1 4.35Å; F144-V161 VanDerWaalsContact CA-O 3.32Å; F144-V161 WeakPolarHBondContact CA-O 3.07Å; F144-L162 HydrophobicContact CD1-CB 4.24Å; F144-L162 HydrophobicContact CD1-CD1 4.11Å; F144-L162 HydrophobicContact CE1-CB 4.11Å; F144-L162 HydrophobicContact CE1-CD1 3.72Å; F144-L162 HydrophobicContact CE1-CG 4.36Å; F144-L162 HydrophobicContact CE2-CD1 4.38Å; F144-L162 HydrophobicContact CZ-CD1 3.88Å; F144-M216 HydrophobicContact CD2-CE 3.78Å; F144-M216 HydrophobicContact CE2-CE 3.79Å; F144-M216 HydrophobicContact CE2-SD 4.12Å |
| 145 | A | 98.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q94 K96 N97 I160 V161 L163 | Q94-A145 HydrophobicContact CB-CB 3.96Å; K96-A145 WeakPolarHBondContact O-CA 3.36Å; N97-A145 HydrophobicContact CB-CB 4.33Å; A145-I160 CarbonylContact O-C 3.58Å; A145-I160 VanDerWaalsContact O-CA 3.26Å; A145-I160 WeakPolarHBondContact O-CA 3.39Å; A145-V161 PolarHBondContact N-O 3.45Å; A145-V161 PolarHBondContact O-N 3.11Å; A145-L163 HydrophobicContact CB-CD1 3.78Å |
| 146 | L | 97.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 150.7 | 172.5 | -63.1 | 176.9 | 0 | 0 | 0 | 110.7 | G95 K96 L101 Q159 I160 W298 | G95-L146 WeakPolarHBondContact CA-O 3.49Å; G95-L146 PolarHBondContact N-O 3.02Å; K96-L146 PolarHBondContact O-N 2.91Å; L101-L146 HydrophobicContact CD1-CD1 3.57Å; L101-L146 HydrophobicContact CD1-CG 3.78Å; L101-L146 HydrophobicContact CD2-CD1 4.47Å; L146-Q159 CarbonylContact C-O 3.58Å; L146-Q159 WeakPolarHBondContact CA-O 3.32Å; L146-I160 HydrophobicContact CD2-CG2 4.23Å; L146-W298 HydrophobicContact CD1-CZ2 3.91Å; L146-W298 HydrophobicContact CD2-CZ2 3.83Å; L146-W298 HydrophobicContact CG-CZ2 4.42Å |
| 147 | G | 96.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | trans | -58.4 | 160.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V155 P157 Q159 | G147-V155 CarbonylContact C-O 3.51Å; G147-V155 WeakPolarHBondContact CA-O 3.47Å; G147-P157 WeakPolarHBondContact O-CA 3.26Å; G147-Q159 PolarHBondContact N-O 2.98Å | ||
| 148 | T | 95 | Very high | 94.1 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | trans | -88.7 | -22.9 | 174.5 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | L93 I150 V155 | L93-T148 WeakPolarHBondContact O-CG2 3.49Å; T148-I150 PolarHBondContact O-N 3.13Å; T148-I150 PolarHBondContact OG1-N 2.84Å; T148-I150 PolarHBondContact OG1-O 3.42Å; T148-V155 PolarHBondContact N-O 3.44Å | ||
| 149 | G | 93.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 36.1 Ų | 36.1 | 39% | 0.392 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 68.7 | -4.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V155 | G149-V155 WeakPolarHBondContact CA-O 3.31Å; G149-V155 PolarHBondContact N-O 3.34Å |
| 150 | I | 91.1 | Very high | 94.1 | Very high | 132 Ų | 132 | 36 Ų | 36 | 68% | 0.677 | 22% | 0.219 | S | C | * | . | trans | -139.6 | 153.3 | -173.9 | 59.4 | 170.8 | 0 | 0 | 0 | 112.6 | T148 | T148-I150 PolarHBondContact O-N 3.13Å; T148-I150 PolarHBondContact OG1-N 2.84Å; T148-I150 PolarHBondContact OG1-O 3.42Å | ||
| 151 | G | 87.6 | Confident | 94.1 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 93.5 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G153 A154 | G151-G153 PolarHBondContact O-N 3.38Å; G151-A154 WeakPolarHBondContact O-CB 3.29Å; G151-A154 PolarHBondContact O-N 2.88Å |
| 152 | P | 83.5 | Confident | 94.1 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 17% | 0.169 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 104.2 | -172 | 27.5 | -35.6 | 0 | 0 | 0 | 111.1 | Q42 V44 I78 S92 | Q42-P152 VanDerWaalsContact CB-CD 3.43Å; Q42-P152 HydrophobicContact CB-CG 4.22Å; V44-P152 HydrophobicContact CG1-CG 3.74Å; I78-P152 HydrophobicContact CD1-CB 4.13Å; I78-P152 HydrophobicContact CD1-CG 3.68Å; S92-P152 WeakPolarHBondContact CB-O 3.46Å |
| 153 | G | 82.5 | Confident | 94.1 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 34.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R76 G151 V155 | R76-G153 VanDerWaalsContact CZ-CA 3.45Å; G151-G153 PolarHBondContact O-N 3.38Å; G153-V155 PolarHBondContact O-N 3.48Å |
| 154 | A | 85.8 | Confident | 93.9 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | trans | -41.4 | 119.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G151 | G151-A154 WeakPolarHBondContact O-CB 3.29Å; G151-A154 PolarHBondContact O-N 2.88Å | ||
| 155 | V | 92 | Very high | 93.9 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | trans | -89.3 | 146.5 | 164.5 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | G147 T148 G149 G153 Q159 V161 | G147-V155 CarbonylContact C-O 3.51Å; G147-V155 WeakPolarHBondContact CA-O 3.47Å; T148-V155 PolarHBondContact N-O 3.44Å; G149-V155 WeakPolarHBondContact CA-O 3.31Å; G149-V155 PolarHBondContact N-O 3.34Å; G153-V155 PolarHBondContact O-N 3.48Å; V155-Q159 HydrophobicContact CG1-CB 3.76Å; V155-V161 HydrophobicContact CB-CG2 3.84Å; V155-V161 HydrophobicContact CG1-CG2 3.68Å; V155-V161 HydrophobicContact CG2-CG2 3.75Å | ||
| 156 | N | 94.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 43% | 0.433 | 22% | 0.223 | S | C | . | . | trans | -57.4 | 137.3 | -179.6 | -177.3 | -58.5 | 0 | 0 | 0 | 110.5 | R158 Q159 | N156-R158 PolarHBondContact O-N 2.99Å; N156-R158 VanDerWaalsContact O-N 3.08Å; N156-R158 WeakPolarHBondContact OD1-CB 3.48Å; N156-R158 PolarHBondContact OD1-N 2.8Å; N156-Q159 HydrophobicContact CB-CB 4.27Å; N156-Q159 HydrophobicContact CB-CG 4.04Å; N156-Q159 WeakPolarHBondContact O-CB 3.49Å; N156-Q159 PolarHBondContact O-N 3.19Å | ||
| 157 | P | 95.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 37 Ų | 37 | 41% | 0.409 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.9 | -176.3 | 27.4 | -35.8 | 0 | 0 | 0 | 114.8 | G147 | G147-P157 WeakPolarHBondContact O-CA 3.26Š|
| 158 | R | 95.9 | Very high | 93.5 | Very high | 71 Ų | 71 | 37.4 Ų | 37.4 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -1.1 | 174 | -46.4 | -167.2 | 80.4 | -150.6 | 0.7 | 113 | Q121 N156 S293 D294 F296 E299 | Q121-R158 PolarHBondContact NE2-O 2.87Å; Q121-R158 VanDerWaalsContact NE2-O 3.13Å; N156-R158 PolarHBondContact O-N 2.99Å; N156-R158 VanDerWaalsContact O-N 3.08Å; N156-R158 WeakPolarHBondContact OD1-CB 3.48Å; N156-R158 PolarHBondContact OD1-N 2.8Å; R158-S293 PolarHBondContact NH1-O 3.49Å; R158-S293 PolarHBondContact NH2-O 3.33Å; R158-S293 VanDerWaalsContact NH2-O 3.15Å; R158-D294 PolarHBondContact NH2-O 2.82Å; R158-F296 HydrophobicContact CB-CE2 4.19Å; R158-E299 IonicContact CZ-OE1 3.28Å; R158-E299 IonicContact CZ-OE2 2.67Å; R158-E299 IonicContact NE-OE1 2.69Å; R158-E299 PolarHBondContact NE-OE1 3.35Å; R158-E299 IonicContact NE-OE2 3.68Å; R158-E299 PolarHBondContact NE-OE2 3.29Å; R158-E299 IonicContact NH2-OE1 3.16Å; R158-E299 IonicContact NH2-OE2 3.43Å; R158-E299 PolarHBondContact NH2-OE2 3.37Å |
| 159 | Q | 97.2 | Very high | 93.7 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -104.3 | 139.7 | 174.1 | -72.2 | 176.2 | -22.1 | 0 | 0 | 110.4 | Q121 L146 G147 V155 N156 | Q121-Q159 VanDerWaalsContact OE1-CA 3.28Å; L146-Q159 CarbonylContact C-O 3.58Å; L146-Q159 WeakPolarHBondContact CA-O 3.32Å; G147-Q159 PolarHBondContact N-O 2.98Å; V155-Q159 HydrophobicContact CG1-CB 3.76Å; N156-Q159 HydrophobicContact CB-CB 4.27Å; N156-Q159 HydrophobicContact CB-CG 4.04Å; N156-Q159 WeakPolarHBondContact O-CB 3.49Å; N156-Q159 PolarHBondContact O-N 3.19Å |
| 160 | I | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 161.7 | 170.2 | 76 | -175.9 | 0 | 0 | 0 | 111.4 | H73 L98 L118 Q121 M122 F144 A145 L146 | H73-I160 WeakPolarHBondContact CA-O 3.24Å; H73-I160 WeakPolarHBondContact CB-O 3.34Å; H73-I160 PolarHBondContact ND1-O 3.21Å; L98-I160 HydrophobicContact CD2-CG2 4.28Å; L118-I160 HydrophobicContact CD2-CG2 3.57Å; Q121-I160 HydrophobicContact CB-CD1 3.67Å; Q121-I160 HydrophobicContact CB-CG1 3.85Å; M122-I160 HydrophobicContact CB-CD1 4.18Å; M122-I160 HydrophobicContact CG-CD1 3.31Å; F144-I160 HydrophobicContact CD1-CD1 3.64Å; F144-I160 HydrophobicContact CD1-CG1 4.28Å; F144-I160 HydrophobicContact CE1-CD1 4.13Å; F144-I160 HydrophobicContact CG-CD1 4.35Å; A145-I160 CarbonylContact O-C 3.58Å; A145-I160 VanDerWaalsContact O-CA 3.26Å; A145-I160 WeakPolarHBondContact O-CA 3.39Å; L146-I160 HydrophobicContact CD2-CG2 4.23Å |
| 161 | V | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.2 | 171.7 | 179.9 | 0 | 0 | 0 | 0 | 109 | H73 C75 Q94 F144 A145 V155 L163 | H73-V161 WeakPolarHBondContact O-CA 3.48Å; C75-V161 HydrophobicContact CB-CG1 4.42Å; C75-V161 WeakPolarHBondContact SG-CG1 3.37Å; Q94-V161 HydrophobicContact CG-CB 4.17Å; Q94-V161 HydrophobicContact CG-CG1 4.21Å; Q94-V161 HydrophobicContact CG-CG2 4.46Å; F144-V161 VanDerWaalsContact CA-O 3.32Å; F144-V161 WeakPolarHBondContact CA-O 3.07Å; A145-V161 PolarHBondContact N-O 3.45Å; A145-V161 PolarHBondContact O-N 3.11Å; V155-V161 HydrophobicContact CB-CG2 3.84Å; V155-V161 HydrophobicContact CG1-CG2 3.68Å; V155-V161 HydrophobicContact CG2-CG2 3.75Å; V161-L163 HydrophobicContact CG1-CD2 4.09Å |
| 162 | L | 98.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.7 | 175.6 | 177.9 | 58.6 | 0 | 0 | 0 | 110.8 | H73 A125 V129 I139 N143 F144 F165 | H73-L162 PolarHBondContact O-N 3.19Å; A125-L162 HydrophobicContact CB-CB 4.24Å; A125-L162 HydrophobicContact CB-CD2 4.32Å; V129-L162 HydrophobicContact CG2-CD2 3.64Å; I139-L162 HydrophobicContact CD1-CD1 3.98Å; I139-L162 HydrophobicContact CD1-CD2 4.42Å; N143-L162 CarbonylContact O-C 3.44Å; N143-L162 WeakPolarHBondContact O-CA 3.3Å; F144-L162 HydrophobicContact CD1-CB 4.24Å; F144-L162 HydrophobicContact CD1-CD1 4.11Å; F144-L162 HydrophobicContact CE1-CB 4.11Å; F144-L162 HydrophobicContact CE1-CD1 3.72Å; F144-L162 HydrophobicContact CE1-CG 4.36Å; F144-L162 HydrophobicContact CE2-CD1 4.38Å; F144-L162 HydrophobicContact CZ-CD1 3.88Å; L162-F165 HydrophobicContact CD2-CE1 4.12Å; L162-F165 HydrophobicContact CG-CE1 4.11Å; L162-F165 HydrophobicContact CG-CZ 4.23Å |
| 163 | L | 97.2 | Very high | 95.3 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | trans | -129.5 | 157.6 | -168.6 | -52.3 | 178.7 | 0 | 0 | 0 | 112.6 | Q94 H136 N143 A145 V161 | Q94-L163 HydrophobicContact CG-CD2 4.04Å; H136-L163 PolarHBondContact NE2-O 3.36Å; N143-L163 WeakPolarHBondContact CB-O 3.35Å; N143-L163 PolarHBondContact ND2-O 3.45Å; N143-L163 WeakPolarHBondContact O-CB 3.44Å; N143-L163 PolarHBondContact O-N 3.45Å; A145-L163 HydrophobicContact CB-CD1 3.78Å; V161-L163 HydrophobicContact CG1-CD2 4.09Å | ||
| 164 | D | 95.5 | Very high | 95.8 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | trans | 63 | 74.7 | 171.7 | -172.8 | 20.5 | 0 | 0 | 0 | 115.2 | K47 E61 H136 G166 | K47-D164 IonicContact NZ-OD1 3.19Å; K47-D164 PolarHBondContact NZ-OD1 3.2Å; E61-D164 WeakPolarHBondContact OE1-CA 3.36Å; H136-D164 PolarHBondContact NE2-O 3.32Å; D164-G166 PolarHBondContact O-N 3.33Å; D164-G166 PolarHBondContact OD1-N 3.35Å | ||
| 165 | F | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -80 | 12.8 | 173.8 | -51.5 | -78.2 | 0 | 0 | 0 | 113.1 | E61 V64 L65 L68 V129 H136 L162 L167 A168 | E61-F165 HydrophobicContact CB-CB 4.27Å; E61-F165 HydrophobicContact CG-CB 4.01Å; E61-F165 HydrophobicContact CG-CD2 4.43Å; E61-F165 PolarHBondContact OE1-N 3.32Å; V64-F165 HydrophobicContact CB-CB 4.11Å; V64-F165 HydrophobicContact CB-CG 4.2Å; V64-F165 HydrophobicContact CG1-CB 4.01Å; V64-F165 HydrophobicContact CG1-CD1 3.52Å; V64-F165 HydrophobicContact CG1-CD2 4.24Å; V64-F165 HydrophobicContact CG1-CE1 4.04Å; V64-F165 HydrophobicContact CG1-CG 3.65Å; L65-F165 HydrophobicContact CD1-CE2 4.02Å; L68-F165 HydrophobicContact CD1-CE1 3.72Å; L68-F165 HydrophobicContact CD1-CE2 4.2Å; L68-F165 HydrophobicContact CD1-CZ 3.54Å; V129-F165 HydrophobicContact CG2-CE1 3.94Å; H136-F165 AromaticContact CD2-CD1 3.68Å; H136-F165 AromaticContact CD2-CE1 3.85Å; L162-F165 HydrophobicContact CD2-CE1 4.12Å; L162-F165 HydrophobicContact CG-CE1 4.11Å; L162-F165 HydrophobicContact CG-CZ 4.23Å; F165-L167 PolarHBondContact O-N 2.89Å; F165-L167 VanDerWaalsContact O-N 3.13Å; F165-A168 HydrophobicContact CB-CB 4.1Å; F165-A168 VanDerWaalsContact O-CB 3.23Å; F165-A168 WeakPolarHBondContact O-CB 3.49Å; F165-A168 PolarHBondContact O-N 2.7Å |
| 166 | G | 93.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -63.5 | -16.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V57 D164 | V57-G166 WeakPolarHBondContact CG1-O 2.97Å; D164-G166 PolarHBondContact O-N 3.33Å; D164-G166 PolarHBondContact OD1-N 3.35Å |
| 167 | L | 95.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -107 | 3.7 | 172.8 | -67.3 | 179.5 | 0 | 0 | 0 | 114.2 | F29 H136 R137 D138 F165 | F29-L167 HydrophobicContact CE2-CD2 4.13Å; H136-L167 CarbonylContact O-C 3.57Å; R137-L167 VanDerWaalsContact CZ-O 3.24Å; R137-L167 PolarHBondContact NE-O 3.27Å; R137-L167 PolarHBondContact NH2-O 2.85Å; D138-L167 HydrophobicContact CB-CB 4.36Å; D138-L167 HydrophobicContact CB-CD1 3.82Å; F165-L167 PolarHBondContact O-N 2.89Å; F165-L167 VanDerWaalsContact O-N 3.13Å |
| 168 | A | 97.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 43 Ų | 43 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | trans | -63.1 | 160 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | V64 L135 F165 | V64-A168 HydrophobicContact CG2-CB 4.13Å; L135-A168 CarbonylContact O-C 3.59Å; L135-A168 WeakPolarHBondContact O-CA 3.33Å; L135-A168 WeakPolarHBondContact O-CB 3.48Å; F165-A168 HydrophobicContact CB-CB 4.1Å; F165-A168 VanDerWaalsContact O-CB 3.23Å; F165-A168 WeakPolarHBondContact O-CB 3.49Å; F165-A168 PolarHBondContact O-N 2.7Å | ||
| 169 | R | 97.2 | Very high | 96.6 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 23% | 0.226 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 131.7 | 176 | 175.4 | 167.4 | 175.3 | 68.7 | -1.5 | 111.2 | F134 L135 F171 E203 | F134-R169 CarbonylContact C-O 3.43Å; F134-R169 WeakPolarHBondContact CA-O 3.43Å; L135-R169 PolarHBondContact N-O 3.23Å; L135-R169 PolarHBondContact O-N 3.05Å; R169-F171 PolarHBondContact O-N 3.29Å; R169-E203 IonicContact CZ-OE2 2.92Å; R169-E203 VanDerWaalsContact NE-CD 3.33Å; R169-E203 IonicContact NE-OE1 2.7Å; R169-E203 PolarHBondContact NE-OE1 3.22Å; R169-E203 IonicContact NE-OE2 2.8Å; R169-E203 PolarHBondContact NE-OE2 3.47Å; R169-E203 IonicContact NH2-OE2 4Å; R169-E203 PolarHBondContact NH2-OE2 2.87Å |
| 170 | Q | 97.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 114.3 | 172 | -161.3 | -176.8 | -18.1 | 0 | 0 | 109.5 | G133 F134 T172 T173 R179 | G133-Q170 CarbonylContact O-C 3.47Å; G133-Q170 VanDerWaalsContact O-CA 3.3Å; G133-Q170 WeakPolarHBondContact O-CA 3.31Å; G133-Q170 VanDerWaalsContact O-CG 3.24Å; G133-Q170 WeakPolarHBondContact O-CG 3.32Å; F134-Q170 HydrophobicContact CD1-CB 3.91Å; F134-Q170 HydrophobicContact CD1-CG 4.48Å; F134-Q170 HydrophobicContact CE1-CB 3.54Å; F134-Q170 HydrophobicContact CE1-CG 4.11Å; F134-Q170 HydrophobicContact CE2-CG 4.31Å; F134-Q170 HydrophobicContact CZ-CB 3.94Å; F134-Q170 HydrophobicContact CZ-CG 4.02Å; Q170-T172 WeakPolarHBondContact CG-O 3.35Å; Q170-T172 PolarHBondContact NE2-O 3.44Å; Q170-T172 VanDerWaalsContact NE2-O 3.17Å; Q170-T172 PolarHBondContact NE2-OG1 3.44Å; Q170-T173 PolarHBondContact NE2-O 3.09Å; Q170-R179 WeakPolarHBondContact O-CD 3.38Å; Q170-R179 PolarHBondContact O-NH1 3.44Å |
| 171 | F | 98.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | trans | -89.7 | -14.5 | 176.3 | 74 | -88.2 | 0 | 0 | 0 | 112.4 | H130 G133 F134 L135 R169 I178 R179 R206 | H130-F171 WeakPolarHBondContact O-CE1 3.17Å; H130-F171 WeakPolarHBondContact O-CZ 3.23Å; G133-F171 VanDerWaalsContact C-CD1 3.42Å; G133-F171 WeakPolarHBondContact O-CD1 3.49Å; G133-F171 PolarHBondContact O-N 3.22Å; F134-F171 VanDerWaalsContact C-CD1 3.49Å; F134-F171 WeakPolarHBondContact O-CE1 3.13Å; L135-F171 HydrophobicContact CD1-CB 4.16Å; L135-F171 HydrophobicContact CD2-CD1 3.67Å; L135-F171 HydrophobicContact CD2-CE1 4.09Å; L135-F171 HydrophobicContact CD2-CG 4.23Å; L135-F171 HydrophobicContact CG-CB 4.05Å; L135-F171 HydrophobicContact CG-CD1 3.72Å; L135-F171 HydrophobicContact CG-CG 4.15Å; R169-F171 PolarHBondContact O-N 3.29Å; F171-I178 HydrophobicContact CD2-CD1 3.77Å; F171-I178 HydrophobicContact CE2-CD1 3.59Å; F171-R179 WeakPolarHBondContact O-CB 3.23Å; F171-R179 VanDerWaalsContact O-CG 3.26Å; F171-R179 WeakPolarHBondContact O-CG 3.18Å; F171-R179 PolarHBondContact O-N 3.43Å; F171-R206 HydrophobicContact CE1-CG 4.33Å; F171-R206 HydrophobicContact CE2-CG 4.35Å; F171-R206 HydrophobicContact CZ-CG 4.11Å | ||
| 172 | T | 97.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -94.8 | 156.1 | 176.4 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | G133 Q170 G176 D177 R179 | G133-T172 WeakPolarHBondContact CA-OG1 3.47Å; G133-T172 PolarHBondContact O-N 3.18Å; Q170-T172 WeakPolarHBondContact CG-O 3.35Å; Q170-T172 PolarHBondContact NE2-O 3.44Å; Q170-T172 VanDerWaalsContact NE2-O 3.17Å; Q170-T172 PolarHBondContact NE2-OG1 3.44Å; T172-G176 WeakPolarHBondContact CG2-O 3.09Å; T172-D177 CarbonylContact C-O 3.41Å; T172-D177 WeakPolarHBondContact CA-O 3.18Å; T172-R179 WeakPolarHBondContact O-CD 3.49Å |
| 173 | T | 96.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | trans | -69.9 | -175.6 | 163.8 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | Q170 N175 G176 D177 R179 | Q170-T173 PolarHBondContact NE2-O 3.09Å; T173-N175 VanDerWaalsContact C-N 3.26Å; T173-N175 PolarHBondContact OG1-N 3.46Å; T173-N175 VanDerWaalsContact OG1-N 3.14Å; T173-G176 PolarHBondContact OG1-N 2.86Å; T173-G176 VanDerWaalsContact OG1-N 3.17Å; T173-D177 HydrophobicContact CG2-CB 3.94Å; T173-D177 PolarHBondContact N-O 2.88Å; T173-D177 PolarHBondContact OG1-N 3.13Å; T173-D177 VanDerWaalsContact OG1-N 3.08Å; T173-D177 PolarHBondContact OG1-OD2 3.21Å; T173-R179 HydrophobicContact CG2-CG 4.2Å | ||
| 174 | A | 91.6 | Very high | 96.3 | Very high | 102 Ų | 102 | 62.9 Ų | 62.9 | 84% | 0.843 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -66.6 | -28.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 175 | N | 94 | Very high | 96.3 | Very high | 143 Ų | 143 | 60.6 Ų | 60.6 | 77% | 0.765 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -86.8 | -14.2 | -177.3 | -52.2 | -6.6 | 0 | 0 | 0 | 112.6 | T173 D177 | T173-N175 VanDerWaalsContact C-N 3.26Å; T173-N175 PolarHBondContact OG1-N 3.46Å; T173-N175 VanDerWaalsContact OG1-N 3.14Å; N175-D177 WeakPolarHBondContact CB-OD2 3.26Å |
| 176 | G | 94 | Very high | 96.1 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 110.2 | -13.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T172 T173 | T172-G176 WeakPolarHBondContact CG2-O 3.09Å; T173-G176 PolarHBondContact OG1-N 2.86Å; T173-G176 VanDerWaalsContact OG1-N 3.17Å |
| 177 | D | 96.6 | Very high | 96.2 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 151.4 | -178.8 | -30 | -76.2 | 0 | 0 | 0 | 112.2 | T172 T173 N175 R179 | T172-D177 CarbonylContact C-O 3.41Å; T172-D177 WeakPolarHBondContact CA-O 3.18Å; T173-D177 HydrophobicContact CG2-CB 3.94Å; T173-D177 PolarHBondContact N-O 2.88Å; T173-D177 PolarHBondContact OG1-N 3.13Å; T173-D177 VanDerWaalsContact OG1-N 3.08Å; T173-D177 PolarHBondContact OG1-OD2 3.21Å; N175-D177 WeakPolarHBondContact CB-OD2 3.26Å; D177-R179 PolarHBondContact O-N 3.46Å |
| 178 | I | 97.9 | Very high | 95.8 | Very high | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -69.1 | 124.4 | 173.3 | -48.1 | -57.7 | 0 | 0 | 0 | 109.5 | F171 Y268 F269 | F171-I178 HydrophobicContact CD2-CD1 3.77Å; F171-I178 HydrophobicContact CE2-CD1 3.59Å; I178-Y268 HydrophobicContact CG2-CD1 4.29Å; I178-Y268 HydrophobicContact CG2-CE1 3.57Å; I178-F269 HydrophobicContact CG2-CD1 4.11Å |
| 179 | R | 98 | Very high | 95.6 | Very high | 104 Ų | 104 | 66.7 Ų | 66.7 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 143.3 | 175.3 | -63.9 | 172.6 | 77.6 | 157.4 | 13.2 | 110.3 | Q170 F171 T172 T173 D177 Y268 | Q170-R179 WeakPolarHBondContact O-CD 3.38Å; Q170-R179 PolarHBondContact O-NH1 3.44Å; F171-R179 WeakPolarHBondContact O-CB 3.23Å; F171-R179 VanDerWaalsContact O-CG 3.26Å; F171-R179 WeakPolarHBondContact O-CG 3.18Å; F171-R179 PolarHBondContact O-N 3.43Å; T172-R179 WeakPolarHBondContact O-CD 3.49Å; T173-R179 HydrophobicContact CG2-CG 4.2Å; D177-R179 PolarHBondContact O-N 3.46Å; R179-Y268 VanDerWaalsContact O-CE1 3.26Å; R179-Y268 WeakPolarHBondContact O-CE1 3.43Å; R179-Y268 PolarHBondContact O-OH 3.49Å |
| 180 | A | 97.4 | Very high | 95.5 | Very high | 83 Ų | 83 | 66 Ų | 66 | 69% | 0.686 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 132.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 181 | P | 97.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 65.8 Ų | 65.8 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 142.9 | 179.8 | 27.9 | -33.4 | 0 | 0 | 0 | 110.9 | E203 Y268 F269 | P181-E203 HydrophobicContact CB-CB 3.8Å; P181-E203 HydrophobicContact CB-CG 4.26Å; P181-Y268 HydrophobicContact CB-CD1 3.96Å; P181-Y268 HydrophobicContact CB-CD2 4.48Å; P181-Y268 HydrophobicContact CB-CE1 3.81Å; P181-Y268 HydrophobicContact CB-CE2 4.37Å; P181-Y268 HydrophobicContact CB-CG 4.31Å; P181-Y268 HydrophobicContact CG-CD1 4.04Å; P181-Y268 HydrophobicContact CG-CE1 4.06Å; P181-F269 HydrophobicContact CG-CZ 3.86Å |
| 182 | R | 97.5 | Very high | 95.5 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 138.8 | 171.7 | -69.3 | 178.1 | -66.4 | 142 | 5.3 | 110.4 | V184 E203 | R182-V184 PolarHBondContact O-N 3.07Å; R182-E203 IonicContact CZ-OE1 2.93Å; R182-E203 IonicContact CZ-OE2 3.26Å; R182-E203 IonicContact NE-OE1 3.79Å; R182-E203 IonicContact NE-OE2 2.77Å; R182-E203 PolarHBondContact NE-OE2 3.49Å; R182-E203 IonicContact NH2-OE1 3.2Å; R182-E203 PolarHBondContact NH2-OE1 3.28Å; R182-E203 IonicContact NH2-OE2 3.15Å; R182-E203 PolarHBondContact NH2-OE2 3.27Å |
| 183 | Q | 95.4 | Very high | 95.5 | Very high | 188 Ų | 188 | 67.8 Ų | 67.8 | 88% | 0.879 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -56.6 | -36.9 | 178.5 | -63.4 | -64.1 | -16.7 | 0 | 0 | 112.6 | ||
| 184 | V | 95.5 | Very high | 95.6 | Very high | 103 Ų | 103 | 66 Ų | 66 | 62% | 0.624 | 37% | 0.374 | S | S | * | . | trans | -134.2 | 131.5 | 168.2 | -176.6 | 0 | 0 | 0 | 0 | 109 | R182 N201 | R182-V184 PolarHBondContact O-N 3.07Å; V184-N201 HydrophobicContact CG1-CB 4.14Å | ||
| 185 | A | 95.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 7% | 0.066 | 34% | 0.335 | C | S | . | . | trans | -124.5 | 91.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | F187 N201 E203 | A185-F187 PolarHBondContact O-N 2.87Å; A185-N201 CarbonylContact C-O 3.57Å; A185-N201 PolarHBondContact N-O 3.08Å; A185-N201 CarbonylContact O-C 3.58Å; A185-N201 WeakPolarHBondContact O-CA 3.42Å; A185-E203 HydrophobicContact CB-CB 4.22Å | ||
| 186 | G | 93.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 56 Ų | 56 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | trans | -51.3 | 128.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R188 | G186-R188 PolarHBondContact O-NH1 3.28Š| ||
| 187 | F | 95.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | trans | -37.1 | 135.1 | -171.7 | 179.6 | -84.9 | 0 | 0 | 0 | 115.2 | A185 G189 V191 A194 A198 N201 K233 | A185-F187 PolarHBondContact O-N 2.87Å; F187-G189 WeakPolarHBondContact CE1-O 3.37Å; F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CZ-CB 4.49Å; F187-V191 HydrophobicContact CZ-CG2 3.88Å; F187-A194 HydrophobicContact CE2-CB 3.65Å; F187-A194 HydrophobicContact CZ-CB 3.85Å; F187-A198 HydrophobicContact CD2-CB 4.26Å; F187-A198 WeakPolarHBondContact CD2-O 3.35Å; F187-A198 HydrophobicContact CE2-CB 4.25Å; F187-N201 PolarHBondContact N-OD1 3.49Å; F187-K233 HydrophobicContact CB-CD 4.14Å; F187-K233 VanDerWaalsContact CB-CE 3.41Å; F187-K233 HydrophobicContact CD1-CD 3.95Å; F187-K233 HydrophobicContact CD2-CD 4.01Å; F187-K233 HydrophobicContact CE1-CD 4.4Å; F187-K233 HydrophobicContact CE2-CD 4.46Å; F187-K233 HydrophobicContact CG-CD 3.77Å; F187-K233 VanDerWaalsContact CG-CE 3.48Å | ||
| 188 | R | 87.4 | Confident | 96.4 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | trans | -137.5 | 160.4 | 171.7 | -58.9 | -63.8 | 176.5 | -107.7 | 6.5 | 109 | G186 | G186-R188 PolarHBondContact O-NH1 3.28Š| ||
| 189 | G | 92 | Very high | 96.4 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 19% | 0.186 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 87.1 | -170 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R137 D138 F187 | R137-G189 WeakPolarHBondContact O-CA 3.5Å; D138-G189 VanDerWaalsContact OD1-CA 3.23Å; D138-G189 WeakPolarHBondContact OD1-CA 3.41Å; F187-G189 WeakPolarHBondContact CE1-O 3.37Å |
| 190 | T | 95.7 | Very high | 96.3 | Very high | 44 Ų | 44 | 48 Ų | 48 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | trans | -97.9 | 115.9 | -168 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | D138 K140 R192 Y193 A194 | D138-T190 VanDerWaalsContact OD1-CB 3.26Å; D138-T190 WeakPolarHBondContact OD1-CB 3.49Å; D138-T190 PolarHBondContact OD1-N 2.97Å; D138-T190 PolarHBondContact OD1-OG1 2.94Å; K140-T190 HydrophobicContact CD-CG2 4.28Å; K140-T190 WeakPolarHBondContact CD-OG1 3.46Å; K140-T190 PolarHBondContact NZ-OG1 2.8Å; T190-R192 PolarHBondContact O-N 3.25Å; T190-Y193 HydrophobicContact CG2-CD2 3.9Å; T190-Y193 HydrophobicContact CG2-CE2 4.06Å; T190-Y193 PolarHBondContact O-N 2.66Å; T190-A194 PolarHBondContact O-N 2.98Å | ||
| 191 | V | 97.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -39.4 | -43.5 | -175.9 | 175.4 | 0 | 0 | 0 | 0 | 114.6 | F187 Y193 H199 V236 K240 | F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CZ-CB 4.49Å; F187-V191 HydrophobicContact CZ-CG2 3.88Å; V191-Y193 PolarHBondContact O-N 2.78Å; V191-H199 WeakPolarHBondContact CG1-CE1 3.17Å; V191-H199 PolarHBondContact O-NE2 2.96Å; V191-V236 HydrophobicContact CG1-CB 3.9Å; V191-V236 HydrophobicContact CG1-CG1 3.95Å; V191-V236 HydrophobicContact CG1-CG2 3.97Å; V191-K240 PolarHBondContact O-NZ 3.43Å |
| 192 | R | 98.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -40.2 | -179 | -171.7 | 179.7 | -61.9 | 163.2 | 6 | 113.4 | T190 E219 L225 W227 R228 K240 | T190-R192 PolarHBondContact O-N 3.25Å; R192-E219 WeakPolarHBondContact CD-OE1 3.49Å; R192-E219 IonicContact CZ-OE1 3.77Å; R192-E219 IonicContact NE-OE1 3.23Å; R192-E219 IonicContact NH1-OE1 3.74Å; R192-E219 PolarHBondContact NH1-OE1 3.07Å; R192-L225 HydrophobicContact CG-CD1 3.89Å; R192-W227 PolarHBondContact O-NE1 2.74Å; R192-R228 PolarHBondContact NH2-O 2.91Å; R192-K240 VanDerWaalsContact C-NZ 3.33Å; R192-K240 PolarHBondContact O-NZ 3.06Å |
| 193 | Y | 98.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 7% | 0.071 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -19.8 | -174.6 | -44.2 | -77.1 | 0 | 0 | 0 | 113 | K140 P141 T190 V191 S212 Y215 M216 E219 L225 | K140-Y193 HydrophobicContact CB-CD2 3.47Å; K140-Y193 VanDerWaalsContact CB-CD2 3.47Å; K140-Y193 HydrophobicContact CB-CE2 3.68Å; K140-Y193 HydrophobicContact CB-CG 4.26Å; P141-Y193 WeakPolarHBondContact CD-OH 3.41Å; P141-Y193 HydrophobicContact CG-CE1 4.09Å; T190-Y193 HydrophobicContact CG2-CD2 3.9Å; T190-Y193 HydrophobicContact CG2-CE2 4.06Å; T190-Y193 PolarHBondContact O-N 2.66Å; V191-Y193 PolarHBondContact O-N 2.78Å; Y193-S212 WeakPolarHBondContact O-CA 3.44Å; Y193-S212 PolarHBondContact O-OG 3.37Å; Y193-Y215 WeakPolarHBondContact O-CD2 3.5Å; Y193-M216 HydrophobicContact CD1-CG 3.86Å; Y193-M216 HydrophobicContact CE1-CG 4.18Å; Y193-M216 HydrophobicContact CG-CG 4.46Å; Y193-E219 PolarHBondContact OH-OE2 3.27Å; Y193-E219 VanDerWaalsContact OH-OE2 3.13Å; Y193-L225 HydrophobicContact CD1-CD1 4.39Å; Y193-L225 HydrophobicContact CE1-CD1 4.4Å |
| 194 | A | 98.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 37 Ų | 37 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | trans | -52.2 | 138.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F187 T190 A198 K240 | F187-A194 HydrophobicContact CE2-CB 3.65Å; F187-A194 HydrophobicContact CZ-CB 3.85Å; T190-A194 PolarHBondContact O-N 2.98Å; A194-A198 HydrophobicContact CB-CB 4.01Å; A194-K240 PolarHBondContact O-NZ 3.12Å | ||
| 195 | S | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | trans | -67.6 | 168.9 | 179.9 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | N197 A198 H199 D208 | S195-N197 VanDerWaalsContact C-N 3.26Å; S195-N197 PolarHBondContact O-N 2.99Å; S195-N197 PolarHBondContact OG-N 3.16Å; S195-A198 WeakPolarHBondContact O-CB 3.37Å; S195-A198 PolarHBondContact O-N 2.98Å; S195-A198 PolarHBondContact OG-N 2.9Å; S195-H199 PolarHBondContact O-CD2 3.29Å; S195-H199 VanDerWaalsContact O-CD2 3.31Å; S195-H199 PolarHBondContact O-N 3.08Å; S195-D208 WeakPolarHBondContact CB-OD1 3.42Å; S195-D208 VanDerWaalsContact OG-CG 3.29Å; S195-D208 PolarHBondContact OG-OD1 3.21Å | ||
| 196 | V | 98 | Very high | 96.8 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -38.3 | 171.6 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | A198 H199 L200 K240 Q241 | V196-A198 VanDerWaalsContact C-N 3.32Å; V196-A198 PolarHBondContact O-N 3.13Å; V196-H199 PolarHBondContact O-N 3.4Å; V196-L200 HydrophobicContact CG1-CD1 3.82Å; V196-L200 HydrophobicContact CG1-CG 4.34Å; V196-L200 WeakPolarHBondContact O-CB 3.38Å; V196-L200 WeakPolarHBondContact O-CG 3.2Å; V196-L200 PolarHBondContact O-N 2.9Å; V196-K240 HydrophobicContact CG2-CB 3.89Å; V196-K240 VanDerWaalsContact CG2-O 3.23Å; V196-K240 WeakPolarHBondContact CG2-O 3.28Å; V196-Q241 HydrophobicContact CG1-CG 3.56Å; V196-Q241 HydrophobicContact CG2-CG 4.27Å |
| 197 | N | 98.1 | Very high | 97 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 179 | -59.6 | -52.5 | 0 | 0 | 0 | 112.2 | S195 L200 N201 K202 L204 H207 D208 | S195-N197 VanDerWaalsContact C-N 3.26Å; S195-N197 PolarHBondContact O-N 2.99Å; S195-N197 PolarHBondContact OG-N 3.16Å; N197-L200 CarbonylContact O-C 3.54Å; N197-L200 PolarHBondContact O-N 3.42Å; N197-N201 PolarHBondContact O-N 2.9Å; N197-K202 HydrophobicContact CB-CB 4.24Å; N197-K202 HydrophobicContact CB-CD 4.13Å; N197-K202 PolarHBondContact O-N 2.9Å; N197-K202 WeakPolarHBondContact OD1-CD 3.23Å; N197-K202 PolarHBondContact OD1-NZ 3.18Å; N197-L204 HydrophobicContact CB-CD2 4.38Å; N197-H207 PolarHBondContact ND2-NE2 3.37Å; N197-H207 VanDerWaalsContact ND2-NE2 3.2Å; N197-D208 WeakPolarHBondContact CB-OD1 3.47Å; N197-D208 PolarHBondContact ND2-OD1 3.5Å |
| 198 | A | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F187 A194 S195 V196 L200 N201 L204 | F187-A198 HydrophobicContact CD2-CB 4.26Å; F187-A198 WeakPolarHBondContact CD2-O 3.35Å; F187-A198 HydrophobicContact CE2-CB 4.25Å; A194-A198 HydrophobicContact CB-CB 4.01Å; S195-A198 WeakPolarHBondContact O-CB 3.37Å; S195-A198 PolarHBondContact O-N 2.98Å; S195-A198 PolarHBondContact OG-N 2.9Å; V196-A198 VanDerWaalsContact C-N 3.32Å; V196-A198 PolarHBondContact O-N 3.13Å; A198-L200 VanDerWaalsContact C-N 3.26Å; A198-L200 PolarHBondContact O-N 3.07Å; A198-N201 PolarHBondContact O-N 3.47Å; A198-L204 HydrophobicContact CB-CD1 4.24Å; A198-L204 HydrophobicContact CB-CD2 3.71Å |
| 199 | H | 98.1 | Very high | 97.7 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 6% | 0.06 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -36.9 | 175.3 | -82.5 | -73 | 0 | 0 | 0 | 112.7 | V191 S195 V196 N201 K233 V236 G237 K240 | V191-H199 WeakPolarHBondContact CG1-CE1 3.17Å; V191-H199 PolarHBondContact O-NE2 2.96Å; S195-H199 PolarHBondContact O-CD2 3.29Å; S195-H199 VanDerWaalsContact O-CD2 3.31Å; S195-H199 PolarHBondContact O-N 3.08Å; V196-H199 PolarHBondContact O-N 3.4Å; H199-N201 PolarHBondContact O-N 2.83Å; H199-N201 PolarHBondContact O-ND2 2.82Å; H199-K233 PolarHBondContact CE1-O 3.34Å; H199-K233 PolarHBondContact ND1-O 3.08Å; H199-V236 WeakPolarHBondContact NE2-CG1 3.26Å; H199-G237 VanDerWaalsContact ND1-CA 3.34Å; H199-G237 WeakPolarHBondContact ND1-CA 3.31Å; H199-K240 PolarHBondContact NE2-NZ 3.41Å |
| 200 | L | 97.1 | Very high | 98 | Very high | 74 Ų | 74 | 25.4 Ų | 25.4 | 39% | 0.387 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 1.3 | 173.1 | -68.2 | 174.4 | 0 | 0 | 0 | 114.6 | V196 N197 A198 K202 | V196-L200 HydrophobicContact CG1-CD1 3.82Å; V196-L200 HydrophobicContact CG1-CG 4.34Å; V196-L200 WeakPolarHBondContact O-CB 3.38Å; V196-L200 WeakPolarHBondContact O-CG 3.2Å; V196-L200 PolarHBondContact O-N 2.9Å; N197-L200 CarbonylContact O-C 3.54Å; N197-L200 PolarHBondContact O-N 3.42Å; A198-L200 VanDerWaalsContact C-N 3.26Å; A198-L200 PolarHBondContact O-N 3.07Å; L200-K202 HydrophobicContact CB-CG 4.15Å; L200-K202 PolarHBondContact O-N 3.36Å |
| 201 | N | 97.3 | Very high | 98.2 | Very high | 50 Ų | 50 | 24.4 Ų | 24.4 | 27% | 0.267 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.5 | -175.9 | -49.5 | -85.6 | 0 | 0 | 0 | 114.3 | V184 A185 F187 N197 A198 H199 | V184-N201 HydrophobicContact CG1-CB 4.14Å; A185-N201 CarbonylContact C-O 3.57Å; A185-N201 PolarHBondContact N-O 3.08Å; A185-N201 CarbonylContact O-C 3.58Å; A185-N201 WeakPolarHBondContact O-CA 3.42Å; F187-N201 PolarHBondContact N-OD1 3.49Å; N197-N201 PolarHBondContact O-N 2.9Å; A198-N201 PolarHBondContact O-N 3.47Å; H199-N201 PolarHBondContact O-N 2.83Å; H199-N201 PolarHBondContact O-ND2 2.82Å |
| 202 | K | 97.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 22.9 Ų | 22.9 | 44% | 0.439 | 11% | 0.111 | S | C | . | . | P | Polyproline II helix | trans | -77.3 | 156.2 | 169.2 | -57.9 | -178.4 | -168.2 | 166.9 | 0 | 110.1 | N197 L200 L204 | N197-K202 HydrophobicContact CB-CB 4.24Å; N197-K202 HydrophobicContact CB-CD 4.13Å; N197-K202 PolarHBondContact O-N 2.9Å; N197-K202 WeakPolarHBondContact OD1-CD 3.23Å; N197-K202 PolarHBondContact OD1-NZ 3.18Å; L200-K202 HydrophobicContact CB-CG 4.15Å; L200-K202 PolarHBondContact O-N 3.36Å; K202-L204 PolarHBondContact O-N 3.49Å |
| 203 | E | 98.1 | Very high | 98.3 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 130.7 | 167.2 | -171.9 | 77.8 | -77.3 | 0 | 0 | 109.7 | R169 P181 R182 A185 Y268 | R169-E203 IonicContact CZ-OE2 2.92Å; R169-E203 VanDerWaalsContact NE-CD 3.33Å; R169-E203 IonicContact NE-OE1 2.7Å; R169-E203 PolarHBondContact NE-OE1 3.22Å; R169-E203 IonicContact NE-OE2 2.8Å; R169-E203 PolarHBondContact NE-OE2 3.47Å; R169-E203 IonicContact NH2-OE2 4Å; R169-E203 PolarHBondContact NH2-OE2 2.87Å; P181-E203 HydrophobicContact CB-CB 3.8Å; P181-E203 HydrophobicContact CB-CG 4.26Å; R182-E203 IonicContact CZ-OE1 2.93Å; R182-E203 IonicContact CZ-OE2 3.26Å; R182-E203 IonicContact NE-OE1 3.79Å; R182-E203 IonicContact NE-OE2 2.77Å; R182-E203 PolarHBondContact NE-OE2 3.49Å; R182-E203 IonicContact NH2-OE1 3.2Å; R182-E203 PolarHBondContact NH2-OE1 3.28Å; R182-E203 IonicContact NH2-OE2 3.15Å; R182-E203 PolarHBondContact NH2-OE2 3.27Å; A185-E203 HydrophobicContact CB-CB 4.22Å; E203-Y268 HydrophobicContact CB-CE2 4.32Å; E203-Y268 HydrophobicContact CG-CD2 4.35Å; E203-Y268 HydrophobicContact CG-CE2 3.67Å |
| 204 | L | 98.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 8% | 0.084 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -79.9 | 143.5 | -175.1 | -55.6 | -171.5 | 0 | 0 | 0 | 111.5 | L135 R137 N197 A198 K202 D208 Y268 | L135-L204 HydrophobicContact CD1-CB 4.46Å; L135-L204 WeakPolarHBondContact CD1-O 3.35Å; R137-L204 HydrophobicContact CB-CD1 4.02Å; R137-L204 HydrophobicContact CG-CB 4.49Å; R137-L204 HydrophobicContact CG-CD1 4.07Å; N197-L204 HydrophobicContact CB-CD2 4.38Å; A198-L204 HydrophobicContact CB-CD1 4.24Å; A198-L204 HydrophobicContact CB-CD2 3.71Å; K202-L204 PolarHBondContact O-N 3.49Å; L204-D208 VanDerWaalsContact CA-OD2 3.25Å; L204-D208 WeakPolarHBondContact CA-OD2 3.37Å; L204-D208 HydrophobicContact CB-CB 4.14Å; L204-D208 HydrophobicContact CD2-CB 4.26Å; L204-Y268 WeakPolarHBondContact O-CD2 3.37Å; L204-Y268 VanDerWaalsContact O-CE2 3.23Å; L204-Y268 WeakPolarHBondContact O-CE2 3.48Å |
| 205 | G | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | -110.6 | -175.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H207 D208 | G205-H207 WeakPolarHBondContact CA-ND1 3.45Å; G205-H207 PolarHBondContact O-N 3.32Å; G205-D208 PolarHBondContact N-OD2 3.34Å; G205-D208 PolarHBondContact O-N 2.94Å | ||
| 206 | R | 98.8 | Very high | 98.3 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 9% | 0.087 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.1 | -29.5 | 179.1 | -67.8 | 174 | -74.7 | -139.5 | -8.8 | 112.9 | H130 L135 F171 F269 D270 P272 | H130-R206 HydrophobicContact CB-CG 4.39Å; H130-R206 PolarHBondContact CE1-O 2.67Å; L135-R206 HydrophobicContact CD2-CB 4.25Å; L135-R206 HydrophobicContact CD2-CG 3.66Å; F171-R206 HydrophobicContact CE1-CG 4.33Å; F171-R206 HydrophobicContact CE2-CG 4.35Å; F171-R206 HydrophobicContact CZ-CG 4.11Å; R206-F269 PolarHBondContact NH2-O 2.95Å; R206-D270 VanDerWaalsContact CZ-O 3.26Å; R206-D270 PolarHBondContact NE-O 3.39Å; R206-D270 PolarHBondContact NH2-O 3.49Å; R206-P272 HydrophobicContact CB-CG 3.72Å |
| 207 | H | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.6 | -28.6 | 176.1 | 64.2 | -43.7 | 0 | 0 | 0 | 113 | N197 G205 D209 L210 W211 L266 | N197-H207 PolarHBondContact ND2-NE2 3.37Å; N197-H207 VanDerWaalsContact ND2-NE2 3.2Å; G205-H207 WeakPolarHBondContact CA-ND1 3.45Å; G205-H207 PolarHBondContact O-N 3.32Å; H207-D209 PolarHBondContact O-N 3.38Å; H207-L210 CarbonylContact O-C 3.54Å; H207-L210 WeakPolarHBondContact O-CA 3.33Å; H207-L210 WeakPolarHBondContact O-CB 3.38Å; H207-L210 PolarHBondContact O-N 3.37Å; H207-L210 VanDerWaalsContact O-N 3.12Å; H207-W211 VanDerWaalsContact O-CD1 3.25Å; H207-W211 PolarHBondContact O-N 3.05Å; H207-L266 HydrophobicContact CB-CB 3.7Å; H207-L266 HydrophobicContact CB-CD1 4.08Å; H207-L266 PolarHBondContact CD2-O 3.34Å |
| 208 | D | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.7 | -30.3 | -177.4 | -67.2 | -57.5 | 0 | 0 | 0 | 113.2 | S195 N197 L204 G205 S212 | S195-D208 WeakPolarHBondContact CB-OD1 3.42Å; S195-D208 VanDerWaalsContact OG-CG 3.29Å; S195-D208 PolarHBondContact OG-OD1 3.21Å; N197-D208 WeakPolarHBondContact CB-OD1 3.47Å; N197-D208 PolarHBondContact ND2-OD1 3.5Å; L204-D208 VanDerWaalsContact CA-OD2 3.25Å; L204-D208 WeakPolarHBondContact CA-OD2 3.37Å; L204-D208 HydrophobicContact CB-CB 4.14Å; L204-D208 HydrophobicContact CD2-CB 4.26Å; G205-D208 PolarHBondContact N-OD2 3.34Å; G205-D208 PolarHBondContact O-N 2.94Å; D208-S212 PolarHBondContact O-N 3.01Å; D208-S212 VanDerWaalsContact O-N 3.14Å; D208-S212 PolarHBondContact O-OG 3.48Å |
| 209 | D | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.016 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.6 | -29.6 | 169.4 | -82.4 | -34.9 | 0 | 0 | 0 | 111.6 | I126 H130 H136 R137 I139 H207 S212 L213 | I126-D209 HydrophobicContact CG2-CB 4.4Å; H130-D209 IonicContact NE2-OD2 2.77Å; H136-D209 WeakPolarHBondContact CA-OD2 3.16Å; H136-D209 PolarHBondContact N-OD2 3.19Å; R137-D209 VanDerWaalsContact CA-OD1 3.26Å; R137-D209 WeakPolarHBondContact CA-OD1 3.38Å; R137-D209 PolarHBondContact N-OD1 3.25Å; R137-D209 PolarHBondContact N-OD2 3.28Å; I139-D209 HydrophobicContact CG1-CB 3.89Å; I139-D209 VanDerWaalsContact CG1-OD1 3.31Å; I139-D209 WeakPolarHBondContact CG1-OD1 3.29Å; H207-D209 PolarHBondContact O-N 3.38Å; D209-S212 WeakPolarHBondContact O-CB 3.3Å; D209-S212 PolarHBondContact O-N 3.43Å; D209-L213 PolarHBondContact O-N 3.22Å |
| 210 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -75.6 | -33.6 | 172.1 | -63.5 | 174.5 | 0 | 0 | 0 | 113.1 | L123 I126 H207 S212 L213 Y214 I263 P272 Y274 L277 | L123-L210 HydrophobicContact CD1-CD2 3.63Å; I126-L210 HydrophobicContact CG2-CD2 4.05Å; H207-L210 CarbonylContact O-C 3.54Å; H207-L210 WeakPolarHBondContact O-CA 3.33Å; H207-L210 WeakPolarHBondContact O-CB 3.38Å; H207-L210 PolarHBondContact O-N 3.37Å; H207-L210 VanDerWaalsContact O-N 3.12Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 3.13Å; L210-L213 HydrophobicContact CD2-CD2 4.3Å; L210-L213 WeakPolarHBondContact O-CB 3.49Å; L210-L213 PolarHBondContact O-N 2.91Å; L210-Y214 PolarHBondContact O-N 2.81Å; L210-I263 HydrophobicContact CB-CG2 4Å; L210-I263 HydrophobicContact CD1-CG2 4.37Å; L210-P272 HydrophobicContact CD1-CB 3.45Å; L210-P272 VanDerWaalsContact CD1-CB 3.45Å; L210-P272 HydrophobicContact CD1-CG 3.6Å; L210-Y274 HydrophobicContact CD1-CE1 4.23Å; L210-Y274 HydrophobicContact CD2-CE1 4.46Å; L210-L277 HydrophobicContact CD1-CD1 3.85Å; L210-L277 HydrophobicContact CD2-CD1 4.42Å |
| 211 | W | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 12.9 Ų | 12.9 | 9% | 0.087 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 167.2 | -89.5 | 105.4 | 0 | 0 | 0 | 111.4 | H207 L213 Y214 Y215 H245 L260 I263 Q264 | H207-W211 VanDerWaalsContact O-CD1 3.25Å; H207-W211 PolarHBondContact O-N 3.05Å; W211-L213 VanDerWaalsContact C-N 3.34Å; W211-L213 PolarHBondContact O-N 3.02Å; W211-Y214 HydrophobicContact CE3-CD1 4.38Å; W211-Y214 HydrophobicContact CZ3-CD1 4.26Å; W211-Y214 PolarHBondContact O-N 3.29Å; W211-Y215 HydrophobicContact CB-CE2 4.39Å; W211-Y215 HydrophobicContact CE3-CE1 4.46Å; W211-Y215 AromaticContact CE3-CE2 3.94Å; W211-Y215 HydrophobicContact CE3-CE2 3.94Å; W211-Y215 AromaticContact CE3-CZ 3.77Å; W211-Y215 WeakPolarHBondContact O-CD2 3.49Å; W211-Y215 PolarHBondContact O-N 3.07Å; W211-Y215 VanDerWaalsContact O-N 3.08Å; W211-H245 AromaticContact CZ3-CD2 3.57Å; W211-H245 AromaticContact CZ3-CG 3.99Å; W211-H245 AromaticContact CZ3-NE2 3.86Å; W211-L260 HydrophobicContact CH2-CD1 3.75Å; W211-L260 HydrophobicContact CZ3-CD1 3.91Å; W211-I263 HydrophobicContact CD2-CD1 3.88Å; W211-I263 HydrophobicContact CD2-CG1 4.36Å; W211-I263 HydrophobicContact CE3-CD1 3.99Å; W211-I263 HydrophobicContact CG-CD1 4.25Å; W211-I263 HydrophobicContact CZ2-CG1 4.31Å; W211-I263 HydrophobicContact CZ3-CD1 4.38Å; W211-I263 PolarHBondContact NE1-O 3.45Å; W211-Q264 HydrophobicContact CH2-CG 3.64Å; W211-Q264 HydrophobicContact CZ2-CB 4.37Å; W211-Q264 HydrophobicContact CZ2-CG 3.54Å |
| 212 | S | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 13.3 Ų | 13.3 | 5% | 0.049 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | Y193 D208 D209 L210 Y215 M216 | Y193-S212 WeakPolarHBondContact O-CA 3.44Å; Y193-S212 PolarHBondContact O-OG 3.37Å; D208-S212 PolarHBondContact O-N 3.01Å; D208-S212 VanDerWaalsContact O-N 3.14Å; D208-S212 PolarHBondContact O-OG 3.48Å; D209-S212 WeakPolarHBondContact O-CB 3.3Å; D209-S212 PolarHBondContact O-N 3.43Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 3.13Å; S212-Y215 PolarHBondContact O-N 2.84Å; S212-M216 WeakPolarHBondContact O-CG 3.24Å; S212-M216 PolarHBondContact O-N 2.89Å |
| 213 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 170.5 | 173.5 | 61.9 | 0 | 0 | 0 | 112.3 | M122 L123 I126 D209 L210 W211 Y215 M216 L217 F259 | M122-L213 HydrophobicContact CB-CD1 3.86Å; M122-L213 HydrophobicContact CE-CD1 3.6Å; M122-L213 HydrophobicContact SD-CD1 4.07Å; L123-L213 HydrophobicContact CD1-CD2 4.36Å; I126-L213 HydrophobicContact CD1-CB 4.06Å; I126-L213 HydrophobicContact CD1-CD2 4.09Å; D209-L213 PolarHBondContact O-N 3.22Å; L210-L213 HydrophobicContact CD2-CD2 4.3Å; L210-L213 WeakPolarHBondContact O-CB 3.49Å; L210-L213 PolarHBondContact O-N 2.91Å; W211-L213 VanDerWaalsContact C-N 3.34Å; W211-L213 PolarHBondContact O-N 3.02Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.31Å; L213-M216 WeakPolarHBondContact O-CA 3.44Å; L213-M216 WeakPolarHBondContact O-CB 3.4Å; L213-M216 PolarHBondContact O-N 3.24Å; L213-L217 HydrophobicContact CD1-CD1 3.98Å; L213-L217 HydrophobicContact CD1-CD2 4.2Å; L213-L217 HydrophobicContact CD1-CG 3.95Å; L213-L217 HydrophobicContact CG-CD1 4.06Å; L213-L217 HydrophobicContact CG-CG 4.41Å; L213-L217 WeakPolarHBondContact O-CG 3.42Å; L213-L217 PolarHBondContact O-N 2.73Å; L213-F259 HydrophobicContact CD2-CZ 4.13Å |
| 214 | Y | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 178.6 | 176.7 | -103.7 | 0 | 0 | 0 | 112.1 | L210 W211 M216 L217 G218 H245 L248 L249 M252 F259 L260 I263 | L210-Y214 PolarHBondContact O-N 2.81Å; W211-Y214 HydrophobicContact CE3-CD1 4.38Å; W211-Y214 HydrophobicContact CZ3-CD1 4.26Å; W211-Y214 PolarHBondContact O-N 3.29Å; Y214-M216 VanDerWaalsContact C-N 3.34Å; Y214-M216 PolarHBondContact O-N 2.69Å; Y214-L217 PolarHBondContact O-N 3.03Å; Y214-G218 PolarHBondContact O-N 2.8Å; Y214-H245 PolarHBondContact OH-O 2.86Å; Y214-L248 HydrophobicContact CE1-CD1 3.87Å; Y214-L249 HydrophobicContact CE2-CD2 4.22Å; Y214-L249 WeakPolarHBondContact OH-CD2 3.3Å; Y214-M252 HydrophobicContact CE2-CE 3.99Å; Y214-M252 HydrophobicContact CE2-SD 3.82Å; Y214-F259 HydrophobicContact CD2-CD1 4.29Å; Y214-L260 HydrophobicContact CD1-CD1 4.27Å; Y214-L260 HydrophobicContact CE1-CD1 3.83Å; Y214-L260 HydrophobicContact CE2-CB 4.11Å; Y214-L260 HydrophobicContact CE2-CD1 4.33Å; Y214-I263 HydrophobicContact CG-CD1 4.06Å |
| 215 | Y | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.9 | -34.5 | 175.1 | -63 | -54.5 | 0 | 0 | 0 | 113.1 | Y193 W211 S212 L213 E219 L225 W227 H245 L248 | Y193-Y215 WeakPolarHBondContact O-CD2 3.5Å; W211-Y215 HydrophobicContact CB-CE2 4.39Å; W211-Y215 HydrophobicContact CE3-CE1 4.46Å; W211-Y215 AromaticContact CE3-CE2 3.94Å; W211-Y215 HydrophobicContact CE3-CE2 3.94Å; W211-Y215 AromaticContact CE3-CZ 3.77Å; W211-Y215 WeakPolarHBondContact O-CD2 3.49Å; W211-Y215 PolarHBondContact O-N 3.07Å; W211-Y215 VanDerWaalsContact O-N 3.08Å; S212-Y215 PolarHBondContact O-N 2.84Å; L213-Y215 VanDerWaalsContact C-N 3.33Å; L213-Y215 PolarHBondContact O-N 3.31Å; Y215-E219 PolarHBondContact O-N 3.17Å; Y215-L225 HydrophobicContact CD1-CD2 4.43Å; Y215-W227 AromaticContact CD1-CH2 3.75Å; Y215-W227 HydrophobicContact CD1-CH2 3.75Å; Y215-W227 AromaticContact CD1-CZ2 3.52Å; Y215-W227 HydrophobicContact CD1-CZ2 3.52Å; Y215-W227 AromaticContact CE1-CH2 3.47Å; Y215-W227 HydrophobicContact CE1-CH2 3.47Å; Y215-W227 VanDerWaalsContact CE1-CH2 3.47Å; Y215-W227 AromaticContact CE1-CZ2 3.61Å; Y215-W227 HydrophobicContact CE1-CZ2 3.61Å; Y215-W227 HydrophobicContact CG-CZ2 4.19Å; Y215-H245 AromaticContact CE1-CD2 3.84Å; Y215-H245 AromaticContact CZ-NE2 3.97Å; Y215-H245 PolarHBondContact OH-NE2 3.22Å; Y215-L248 HydrophobicContact CD1-CD1 4.26Å; Y215-L248 HydrophobicContact CE1-CD1 4.5Å |
| 216 | M | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 172.9 | -73.2 | 175.9 | 49.3 | 0 | 0 | 112 | M122 I139 K140 P141 F144 Y193 S212 L213 Y214 G218 E219 F220 | M122-M216 HydrophobicContact CE-CE 4.25Å; M122-M216 HydrophobicContact SD-CE 3.35Å; M122-M216 WeakPolarHBondContact SD-CE 3.39Å; I139-M216 HydrophobicContact CG2-SD 3.76Å; K140-M216 VanDerWaalsContact C-SD 3.52Å; K140-M216 WeakPolarHBondContact CA-SD 3.49Å; P141-M216 HydrophobicContact CB-CE 4.28Å; P141-M216 HydrophobicContact CG-CE 3.94Å; P141-M216 HydrophobicContact CG-CG 3.9Å; P141-M216 HydrophobicContact CG-SD 4.28Å; F144-M216 HydrophobicContact CD2-CE 3.78Å; F144-M216 HydrophobicContact CE2-CE 3.79Å; F144-M216 HydrophobicContact CE2-SD 4.12Å; Y193-M216 HydrophobicContact CD1-CG 3.86Å; Y193-M216 HydrophobicContact CE1-CG 4.18Å; Y193-M216 HydrophobicContact CG-CG 4.46Å; S212-M216 WeakPolarHBondContact O-CG 3.24Å; S212-M216 PolarHBondContact O-N 2.89Å; L213-M216 WeakPolarHBondContact O-CA 3.44Å; L213-M216 WeakPolarHBondContact O-CB 3.4Å; L213-M216 PolarHBondContact O-N 3.24Å; Y214-M216 VanDerWaalsContact C-N 3.34Å; Y214-M216 PolarHBondContact O-N 2.69Å; M216-G218 VanDerWaalsContact C-N 3.29Å; M216-G218 PolarHBondContact O-N 2.79Å; M216-E219 CarbonylContact O-C 3.56Å; M216-E219 PolarHBondContact O-N 3.43Å; M216-E219 VanDerWaalsContact O-N 3.16Å; M216-F220 HydrophobicContact CE-CE1 4.5Å; M216-F220 HydrophobicContact CE-CE2 4.4Å; M216-F220 HydrophobicContact CE-CZ 3.83Å; M216-F220 WeakPolarHBondContact O-CB 3.33Å; M216-F220 WeakPolarHBondContact O-CD1 3.42Å; M216-F220 WeakPolarHBondContact O-CG 3.42Å; M216-F220 PolarHBondContact O-N 3.19Å |
| 217 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.8 | -33.6 | -179.8 | -59.3 | 175 | 0 | 0 | 0 | 111.7 | T115 A119 M122 L213 Y214 F220 I221 F256 | T115-L217 HydrophobicContact CG2-CB 4.31Å; T115-L217 HydrophobicContact CG2-CD2 3.67Å; A119-L217 HydrophobicContact CB-CD1 3.75Å; A119-L217 HydrophobicContact CB-CD2 3.66Å; A119-L217 HydrophobicContact CB-CG 4.38Å; M122-L217 HydrophobicContact CE-CD2 3.63Å; L213-L217 HydrophobicContact CD1-CD1 3.98Å; L213-L217 HydrophobicContact CD1-CD2 4.2Å; L213-L217 HydrophobicContact CD1-CG 3.95Å; L213-L217 HydrophobicContact CG-CD1 4.06Å; L213-L217 HydrophobicContact CG-CG 4.41Å; L213-L217 WeakPolarHBondContact O-CG 3.42Å; L213-L217 PolarHBondContact O-N 2.73Å; Y214-L217 PolarHBondContact O-N 3.03Å; L217-F220 HydrophobicContact CD2-CD2 4.32Å; L217-F220 PolarHBondContact O-N 3.04Å; L217-I221 PolarHBondContact O-N 3.07Å; L217-I221 VanDerWaalsContact O-N 3.08Å; L217-F256 HydrophobicContact CB-CE1 3.8Å; L217-F256 HydrophobicContact CD1-CE1 3.63Å; L217-F256 HydrophobicContact CD1-CZ 4.08Å; L217-F256 HydrophobicContact CG-CE1 4.31Å |
| 218 | G | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.1 | -50.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y214 M216 F220 I221 V222 | Y214-G218 PolarHBondContact O-N 2.8Å; M216-G218 VanDerWaalsContact C-N 3.29Å; M216-G218 PolarHBondContact O-N 2.79Å; G218-F220 PolarHBondContact O-N 2.91Å; G218-I221 PolarHBondContact O-N 2.91Å; G218-V222 WeakPolarHBondContact O-CB 3.43Å; G218-V222 WeakPolarHBondContact O-CG2 3.5Å; G218-V222 PolarHBondContact O-N 2.77Å |
| 219 | E | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -25.1 | 176.8 | -151.4 | -164.2 | -138.6 | 0 | 0 | 112.8 | R102 R192 Y193 Y215 M216 G223 L225 | R102-E219 IonicContact CZ-OE2 2.79Å; R102-E219 IonicContact NE-OE2 2.74Å; R102-E219 PolarHBondContact NE-OE2 2.93Å; R102-E219 IonicContact NH2-OE1 3.61Å; R102-E219 PolarHBondContact NH2-OE1 3.29Å; R102-E219 IonicContact NH2-OE2 3.57Å; R102-E219 PolarHBondContact NH2-OE2 2.89Å; R192-E219 WeakPolarHBondContact CD-OE1 3.49Å; R192-E219 IonicContact CZ-OE1 3.77Å; R192-E219 IonicContact NE-OE1 3.23Å; R192-E219 IonicContact NH1-OE1 3.74Å; R192-E219 PolarHBondContact NH1-OE1 3.07Å; Y193-E219 PolarHBondContact OH-OE2 3.27Å; Y193-E219 VanDerWaalsContact OH-OE2 3.13Å; Y215-E219 PolarHBondContact O-N 3.17Å; M216-E219 CarbonylContact O-C 3.56Å; M216-E219 PolarHBondContact O-N 3.43Å; M216-E219 VanDerWaalsContact O-N 3.16Å; E219-G223 CarbonylContact O-C 3.45Å; E219-G223 WeakPolarHBondContact O-CA 3.34Å; E219-G223 PolarHBondContact O-N 3.47Å; E219-G223 VanDerWaalsContact O-N 3.07Å; E219-L225 HydrophobicContact CB-CD1 4.11Å; E219-L225 HydrophobicContact CB-CG 3.98Å; E219-L225 HydrophobicContact CG-CD1 4.34Å; E219-L225 HydrophobicContact CG-CG 4.15Å |
| 220 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -74.2 | -47.9 | 176.4 | -73.8 | 6.9 | 0 | 0 | 0 | 111.4 | L98 C109 F110 T115 L118 M122 P141 M216 L217 G218 | L98-F220 HydrophobicContact CB-CZ 4Å; L98-F220 HydrophobicContact CD1-CE2 4.11Å; L98-F220 HydrophobicContact CD1-CZ 3.98Å; C109-F220 CarbonylContact C-O 3.52Å; C109-F220 VanDerWaalsContact CA-O 3.3Å; C109-F220 WeakPolarHBondContact CA-O 3.39Å; C109-F220 WeakPolarHBondContact CB-O 3.46Å; F110-F220 HydrophobicContact CD2-CB 3.99Å; F110-F220 HydrophobicContact CD2-CD1 4.18Å; F110-F220 AromaticContact CD2-CD2 3.74Å; F110-F220 HydrophobicContact CD2-CD2 3.74Å; F110-F220 HydrophobicContact CD2-CE2 4.22Å; F110-F220 AromaticContact CD2-CG 3.71Å; F110-F220 HydrophobicContact CD2-CG 3.71Å; F110-F220 HydrophobicContact CE2-CD1 4.25Å; F110-F220 HydrophobicContact CE2-CD2 4.05Å; F110-F220 HydrophobicContact CE2-CE1 4.23Å; F110-F220 HydrophobicContact CE2-CE2 4.06Å; F110-F220 HydrophobicContact CE2-CG 4.14Å; F110-F220 HydrophobicContact CE2-CZ 4.15Å; F110-F220 PolarHBondContact N-O 2.43Å; T115-F220 HydrophobicContact CG2-CB 3.94Å; T115-F220 HydrophobicContact CG2-CD2 4.26Å; L118-F220 HydrophobicContact CD1-CD2 4.44Å; L118-F220 HydrophobicContact CD1-CE2 4.12Å; M122-F220 HydrophobicContact CE-CE2 3.85Å; M122-F220 HydrophobicContact SD-CE2 4.44Å; P141-F220 HydrophobicContact CB-CE1 3.79Å; P141-F220 HydrophobicContact CB-CZ 4.03Å; P141-F220 HydrophobicContact CG-CE1 3.64Å; P141-F220 HydrophobicContact CG-CZ 4.15Å; M216-F220 HydrophobicContact CE-CE1 4.5Å; M216-F220 HydrophobicContact CE-CE2 4.4Å; M216-F220 HydrophobicContact CE-CZ 3.83Å; M216-F220 WeakPolarHBondContact O-CB 3.33Å; M216-F220 WeakPolarHBondContact O-CD1 3.42Å; M216-F220 WeakPolarHBondContact O-CG 3.42Å; M216-F220 PolarHBondContact O-N 3.19Å; L217-F220 HydrophobicContact CD2-CD2 4.32Å; L217-F220 PolarHBondContact O-N 3.04Å; G218-F220 PolarHBondContact O-N 2.91Å |
| 221 | I | 97 | Very high | 96.8 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 11% | 0.108 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.9 | -45.8 | -178.7 | -68.6 | 164.2 | 0 | 0 | 0 | 111.7 | I112 T115 L217 G218 F251 M252 | I112-I221 HydrophobicContact CG1-CG1 4.46Å; I112-I221 HydrophobicContact CG2-CD1 4.39Å; T115-I221 HydrophobicContact CG2-CD1 4.03Å; T115-I221 HydrophobicContact CG2-CG1 3.9Å; L217-I221 PolarHBondContact O-N 3.07Å; L217-I221 VanDerWaalsContact O-N 3.08Å; G218-I221 PolarHBondContact O-N 2.91Å; I221-F251 HydrophobicContact CG2-CB 4.19Å; I221-F251 WeakPolarHBondContact CG2-O 3.48Å; I221-M252 HydrophobicContact CD1-CG 4.16Å |
| 222 | V | 94.6 | Very high | 96.7 | Very high | 59 Ų | 59 | 37 Ų | 37 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -86.9 | -18.5 | -174.3 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | G218 E224 F251 | G218-V222 WeakPolarHBondContact O-CB 3.43Å; G218-V222 WeakPolarHBondContact O-CG2 3.5Å; G218-V222 PolarHBondContact O-N 2.77Å; V222-E224 PolarHBondContact O-N 2.99Å; V222-F251 HydrophobicContact CG2-CB 4.24Å; V222-F251 HydrophobicContact CG2-CD2 4.05Å |
| 223 | G | 95.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 39 Ų | 39 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 82.7 | -24.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R102 G108 E219 | R102-G223 PolarHBondContact NH1-O 3.24Å; G108-G223 WeakPolarHBondContact O-CA 3.49Å; E219-G223 CarbonylContact O-C 3.45Å; E219-G223 WeakPolarHBondContact O-CA 3.34Å; E219-G223 PolarHBondContact O-N 3.47Å; E219-G223 VanDerWaalsContact O-N 3.07Å |
| 224 | E | 95.2 | Very high | 96.4 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -142.8 | 169.8 | 170.2 | 57.6 | 176.2 | -142.8 | 0 | 0 | 115.1 | V222 R228 | V222-E224 PolarHBondContact O-N 2.99Å; E224-R228 HydrophobicContact CB-CB 4.26Å; E224-R228 HydrophobicContact CB-CG 4.43Å; E224-R228 WeakPolarHBondContact OE2-CD 3.19Å; E224-R228 IonicContact OE2-NE 3.38Å; E224-R228 PolarHBondContact OE2-NE 2.75Å |
| 225 | L | 97 | Very high | 96.4 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | -113.6 | 151.3 | 171.6 | -72.4 | 165.1 | 0 | 0 | 0 | 109.2 | R192 Y193 Y215 E219 W227 R228 L248 | R192-L225 HydrophobicContact CG-CD1 3.89Å; Y193-L225 HydrophobicContact CD1-CD1 4.39Å; Y193-L225 HydrophobicContact CE1-CD1 4.4Å; Y215-L225 HydrophobicContact CD1-CD2 4.43Å; E219-L225 HydrophobicContact CB-CD1 4.11Å; E219-L225 HydrophobicContact CB-CG 3.98Å; E219-L225 HydrophobicContact CG-CD1 4.34Å; E219-L225 HydrophobicContact CG-CG 4.15Å; L225-W227 HydrophobicContact CB-CZ2 4.19Å; L225-W227 HydrophobicContact CD1-CZ2 4.17Å; L225-W227 HydrophobicContact CD2-CH2 4.48Å; L225-W227 HydrophobicContact CD2-CZ2 4.01Å; L225-W227 HydrophobicContact CG-CZ2 4.36Å; L225-W227 PolarHBondContact O-N 2.87Å; L225-R228 WeakPolarHBondContact O-CB 3.28Å; L225-R228 PolarHBondContact O-N 2.78Å; L225-L248 HydrophobicContact CD2-CD1 4.3Å; L225-L248 HydrophobicContact CD2-CD2 4.03Å | ||
| 226 | P | 97 | Very high | 96.4 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33.8 | -174.6 | -26.9 | 33.2 | 0 | 0 | 0 | 114.7 | F243 | P226-F243 HydrophobicContact CB-CE2 4.28Å; P226-F243 HydrophobicContact CG-CD2 4.29Å; P226-F243 HydrophobicContact CG-CE1 4.39Å; P226-F243 HydrophobicContact CG-CE2 3.61Å; P226-F243 HydrophobicContact CG-CZ 3.66Å |
| 227 | W | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 9.6 | 179.3 | 50.4 | 81.6 | 0 | 0 | 0 | 114.4 | R192 Y215 L225 K229 I230 V236 M239 K240 F243 | R192-W227 PolarHBondContact O-NE1 2.74Å; Y215-W227 AromaticContact CD1-CH2 3.75Å; Y215-W227 HydrophobicContact CD1-CH2 3.75Å; Y215-W227 AromaticContact CD1-CZ2 3.52Å; Y215-W227 HydrophobicContact CD1-CZ2 3.52Å; Y215-W227 AromaticContact CE1-CH2 3.47Å; Y215-W227 HydrophobicContact CE1-CH2 3.47Å; Y215-W227 VanDerWaalsContact CE1-CH2 3.47Å; Y215-W227 AromaticContact CE1-CZ2 3.61Å; Y215-W227 HydrophobicContact CE1-CZ2 3.61Å; Y215-W227 HydrophobicContact CG-CZ2 4.19Å; L225-W227 HydrophobicContact CB-CZ2 4.19Å; L225-W227 HydrophobicContact CD1-CZ2 4.17Å; L225-W227 HydrophobicContact CD2-CH2 4.48Å; L225-W227 HydrophobicContact CD2-CZ2 4.01Å; L225-W227 HydrophobicContact CG-CZ2 4.36Å; L225-W227 PolarHBondContact O-N 2.87Å; W227-K229 PolarHBondContact O-N 3.07Å; W227-K229 VanDerWaalsContact O-N 3.08Å; W227-I230 PolarHBondContact O-N 3.03Å; W227-I230 VanDerWaalsContact O-N 3.07Å; W227-V236 HydrophobicContact CB-CG1 4.16Å; W227-V236 HydrophobicContact CB-CG2 4.18Å; W227-V236 HydrophobicContact CG-CG1 3.93Å; W227-M239 HydrophobicContact CB-CE 4.45Å; W227-M239 HydrophobicContact CB-SD 4.5Å; W227-K240 HydrophobicContact CD2-CG 4.14Å; W227-K240 HydrophobicContact CE3-CG 4.02Å; W227-K240 HydrophobicContact CH2-CG 4.1Å; W227-K240 HydrophobicContact CZ2-CD 4.44Å; W227-K240 VanDerWaalsContact CZ2-CE 3.42Å; W227-K240 HydrophobicContact CZ2-CG 4.19Å; W227-K240 HydrophobicContact CZ3-CG 4.01Å; W227-K240 VanDerWaalsContact NE1-CE 3.3Å; W227-F243 AromaticContact CZ3-CD1 3.96Å; W227-F243 HydrophobicContact CZ3-CD1 3.96Å; W227-F243 HydrophobicContact CZ3-CE1 4.28Å; W227-F243 HydrophobicContact CZ3-CG 4.26Å |
| 228 | R | 94.8 | Very high | 96.3 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -38.2 | -173.6 | 162.1 | 174.5 | 146.5 | 58.5 | -5 | 114.6 | R192 E224 L225 | R192-R228 PolarHBondContact NH2-O 2.91Å; E224-R228 HydrophobicContact CB-CB 4.26Å; E224-R228 HydrophobicContact CB-CG 4.43Å; E224-R228 WeakPolarHBondContact OE2-CD 3.19Å; E224-R228 IonicContact OE2-NE 3.38Å; E224-R228 PolarHBondContact OE2-NE 2.75Å; L225-R228 WeakPolarHBondContact O-CB 3.28Å; L225-R228 PolarHBondContact O-N 2.78Å |
| 229 | K | 94.2 | Very high | 96.4 | Very high | 164 Ų | 164 | 57.4 Ų | 57.4 | 71% | 0.713 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -11.8 | -172.9 | -64.4 | 171.8 | -174.8 | 163.5 | 0 | 112.9 | W227 | W227-K229 PolarHBondContact O-N 3.07Å; W227-K229 VanDerWaalsContact O-N 3.08Å |
| 230 | I | 95.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | trans | -92.6 | 132.7 | -175.4 | -57.5 | 176.2 | 0 | 0 | 0 | 109.4 | W227 Q235 V236 M239 | W227-I230 PolarHBondContact O-N 3.03Å; W227-I230 VanDerWaalsContact O-N 3.07Å; I230-Q235 HydrophobicContact CD1-CG 4.43Å; I230-Q235 HydrophobicContact CG2-CB 4.1Å; I230-Q235 HydrophobicContact CG2-CG 4.05Å; I230-Q235 VanDerWaalsContact CG2-OE1 3.24Å; I230-V236 HydrophobicContact CB-CG2 3.91Å; I230-V236 HydrophobicContact CG2-CG2 3.72Å; I230-M239 HydrophobicContact CD1-CE 4.27Å; I230-M239 HydrophobicContact CD1-SD 3.28Å; I230-M239 WeakPolarHBondContact CD1-SD 3.47Å | ||
| 231 | K | 92.2 | Very high | 96.3 | Very high | 154 Ų | 154 | 61.9 Ų | 61.9 | 67% | 0.67 | 30% | 0.301 | S | S | * | . | trans | -101.6 | -27.4 | -177.3 | -63.6 | 174.5 | -179.7 | 178.6 | 0 | 113 | T586 | K231-T586 HydrophobicContact CD-CG2 3.99Š| ||
| 232 | D | 96.3 | Very high | 96.3 | Very high | 73 Ų | 73 | 66.2 Ų | 66.2 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | trans | -68.3 | 138.1 | -178 | 177.9 | 52 | 0 | 0 | 0 | 111.8 | E234 Q235 V236 | D232-E234 PolarHBondContact OD2-N 3.44Å; D232-Q235 HydrophobicContact CB-CB 4.06Å; D232-Q235 WeakPolarHBondContact OD2-CB 3.41Å; D232-Q235 PolarHBondContact OD2-N 3.49Å; D232-V236 WeakPolarHBondContact O-CG2 3.14Å; D232-V236 PolarHBondContact O-N 3.49Å | ||
| 233 | K | 95.5 | Very high | 96.4 | Very high | 49 Ų | 49 | 65 Ų | 65 | 21% | 0.213 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.4 | -47.6 | -176.4 | 176.2 | 179.5 | 142.9 | -76 | 0 | 110.9 | F187 H199 V236 G237 | F187-K233 HydrophobicContact CB-CD 4.14Å; F187-K233 VanDerWaalsContact CB-CE 3.41Å; F187-K233 HydrophobicContact CD1-CD 3.95Å; F187-K233 HydrophobicContact CD2-CD 4.01Å; F187-K233 HydrophobicContact CE1-CD 4.4Å; F187-K233 HydrophobicContact CE2-CD 4.46Å; F187-K233 HydrophobicContact CG-CD 3.77Å; F187-K233 VanDerWaalsContact CG-CE 3.48Å; H199-K233 PolarHBondContact CE1-O 3.34Å; H199-K233 PolarHBondContact ND1-O 3.08Å; K233-V236 PolarHBondContact O-N 2.84Å; K233-G237 PolarHBondContact O-N 3.25Å |
| 234 | E | 96.5 | Very high | 96.5 | Very high | 118 Ų | 118 | 67.8 Ų | 67.8 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | -176.6 | -81.3 | 69.1 | -93.1 | 0 | 0 | 111.1 | D232 G237 L238 | D232-E234 PolarHBondContact OD2-N 3.44Å; E234-G237 CarbonylContact O-C 3.49Å; E234-G237 PolarHBondContact O-N 3.49Å; E234-L238 WeakPolarHBondContact O-CB 2.99Å; E234-L238 PolarHBondContact O-N 3.35Å |
| 235 | Q | 97.6 | Very high | 96.5 | Very high | 101 Ų | 101 | 65 Ų | 65 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.5 | -169.8 | 179.5 | 15.5 | 0 | 0 | 112.4 | I230 D232 G237 L238 M239 | I230-Q235 HydrophobicContact CD1-CG 4.43Å; I230-Q235 HydrophobicContact CG2-CB 4.1Å; I230-Q235 HydrophobicContact CG2-CG 4.05Å; I230-Q235 VanDerWaalsContact CG2-OE1 3.24Å; D232-Q235 HydrophobicContact CB-CB 4.06Å; D232-Q235 WeakPolarHBondContact OD2-CB 3.41Å; D232-Q235 PolarHBondContact OD2-N 3.49Å; Q235-G237 VanDerWaalsContact C-N 3.31Å; Q235-G237 PolarHBondContact O-N 2.85Å; Q235-L238 PolarHBondContact O-N 3.14Å; Q235-M239 WeakPolarHBondContact O-CG 3.21Å; Q235-M239 PolarHBondContact O-N 3.44Å |
| 236 | V | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 174.5 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | V191 H199 W227 I230 D232 K233 K240 | V191-V236 HydrophobicContact CG1-CB 3.9Å; V191-V236 HydrophobicContact CG1-CG1 3.95Å; V191-V236 HydrophobicContact CG1-CG2 3.97Å; H199-V236 WeakPolarHBondContact NE2-CG1 3.26Å; W227-V236 HydrophobicContact CB-CG1 4.16Å; W227-V236 HydrophobicContact CB-CG2 4.18Å; W227-V236 HydrophobicContact CG-CG1 3.93Å; I230-V236 HydrophobicContact CB-CG2 3.91Å; I230-V236 HydrophobicContact CG2-CG2 3.72Å; D232-V236 WeakPolarHBondContact O-CG2 3.14Å; D232-V236 PolarHBondContact O-N 3.49Å; K233-V236 PolarHBondContact O-N 2.84Å; V236-K240 HydrophobicContact CG1-CD 4.05Å; V236-K240 WeakPolarHBondContact O-CB 3.47Å; V236-K240 VanDerWaalsContact O-CG 3.32Å; V236-K240 WeakPolarHBondContact O-CG 3.45Å; V236-K240 PolarHBondContact O-N 2.88Å |
| 237 | G | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H199 K233 E234 Q235 Q241 | H199-G237 VanDerWaalsContact ND1-CA 3.34Å; H199-G237 WeakPolarHBondContact ND1-CA 3.31Å; K233-G237 PolarHBondContact O-N 3.25Å; E234-G237 CarbonylContact O-C 3.49Å; E234-G237 PolarHBondContact O-N 3.49Å; Q235-G237 VanDerWaalsContact C-N 3.31Å; Q235-G237 PolarHBondContact O-N 2.85Å; G237-Q241 WeakPolarHBondContact O-CG 3.42Å; G237-Q241 PolarHBondContact O-N 3.03Å; G237-Q241 PolarHBondContact O-NE2 3.04Å |
| 238 | L | 97.7 | Very high | 96.1 | Very high | 106 Ų | 106 | 70.4 Ų | 70.4 | 56% | 0.555 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67 | -47.1 | 175.5 | 179.9 | 59.8 | 0 | 0 | 0 | 111.1 | E234 Q235 K240 Q241 T242 | E234-L238 WeakPolarHBondContact O-CB 2.99Å; E234-L238 PolarHBondContact O-N 3.35Å; Q235-L238 PolarHBondContact O-N 3.14Å; L238-K240 VanDerWaalsContact C-N 3.3Å; L238-K240 PolarHBondContact O-N 3.28Å; L238-Q241 WeakPolarHBondContact O-CB 3.39Å; L238-Q241 PolarHBondContact O-N 3.02Å; L238-T242 HydrophobicContact CD1-CG2 4.24Å; L238-T242 PolarHBondContact O-N 2.77Å; L238-T242 VanDerWaalsContact O-N 3.1Å; L238-T242 PolarHBondContact O-OG1 3.2Å |
| 239 | M | 98.1 | Very high | 96.1 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 175.3 | -75.8 | -176.9 | 68.8 | 0 | 0 | 112.1 | W227 I230 Q235 Q241 T242 F243 | W227-M239 HydrophobicContact CB-CE 4.45Å; W227-M239 HydrophobicContact CB-SD 4.5Å; I230-M239 HydrophobicContact CD1-CE 4.27Å; I230-M239 HydrophobicContact CD1-SD 3.28Å; I230-M239 WeakPolarHBondContact CD1-SD 3.47Å; Q235-M239 WeakPolarHBondContact O-CG 3.21Å; Q235-M239 PolarHBondContact O-N 3.44Å; M239-Q241 PolarHBondContact O-N 3.01Å; M239-T242 PolarHBondContact O-N 3.25Å; M239-F243 WeakPolarHBondContact O-CB 3.42Å; M239-F243 PolarHBondContact O-N 3.06Å |
| 240 | K | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.9 | -17.5 | 176.8 | -76.6 | 174.9 | 171.9 | -176.4 | 0 | 114.5 | V191 R192 A194 V196 H199 W227 V236 L238 H245 | V191-K240 PolarHBondContact O-NZ 3.43Å; R192-K240 VanDerWaalsContact C-NZ 3.33Å; R192-K240 PolarHBondContact O-NZ 3.06Å; A194-K240 PolarHBondContact O-NZ 3.12Å; V196-K240 HydrophobicContact CG2-CB 3.89Å; V196-K240 VanDerWaalsContact CG2-O 3.23Å; V196-K240 WeakPolarHBondContact CG2-O 3.28Å; H199-K240 PolarHBondContact NE2-NZ 3.41Å; W227-K240 HydrophobicContact CD2-CG 4.14Å; W227-K240 HydrophobicContact CE3-CG 4.02Å; W227-K240 HydrophobicContact CH2-CG 4.1Å; W227-K240 HydrophobicContact CZ2-CD 4.44Å; W227-K240 VanDerWaalsContact CZ2-CE 3.42Å; W227-K240 HydrophobicContact CZ2-CG 4.19Å; W227-K240 HydrophobicContact CZ3-CG 4.01Å; W227-K240 VanDerWaalsContact NE1-CE 3.3Å; V236-K240 HydrophobicContact CG1-CD 4.05Å; V236-K240 WeakPolarHBondContact O-CB 3.47Å; V236-K240 VanDerWaalsContact O-CG 3.32Å; V236-K240 WeakPolarHBondContact O-CG 3.45Å; V236-K240 PolarHBondContact O-N 2.88Å; L238-K240 VanDerWaalsContact C-N 3.3Å; L238-K240 PolarHBondContact O-N 3.28Å; K240-H245 PolarHBondContact O-CE1 3.25Å |
| 241 | Q | 97.4 | Very high | 95.7 | Very high | 96 Ų | 96 | 70.5 Ų | 70.5 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -89.7 | -28.6 | 175 | -75.5 | 168.3 | 90.9 | 0 | 0 | 112.9 | V196 G237 L238 M239 | V196-Q241 HydrophobicContact CG1-CG 3.56Å; V196-Q241 HydrophobicContact CG2-CG 4.27Å; G237-Q241 WeakPolarHBondContact O-CG 3.42Å; G237-Q241 PolarHBondContact O-N 3.03Å; G237-Q241 PolarHBondContact O-NE2 3.04Å; L238-Q241 WeakPolarHBondContact O-CB 3.39Å; L238-Q241 PolarHBondContact O-N 3.02Å; M239-Q241 PolarHBondContact O-N 3.01Å |
| 242 | T | 96.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 64 Ų | 64 | 68% | 0.681 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -102 | -14.3 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | L238 M239 | L238-T242 HydrophobicContact CD1-CG2 4.24Å; L238-T242 PolarHBondContact O-N 2.77Å; L238-T242 VanDerWaalsContact O-N 3.1Å; L238-T242 PolarHBondContact O-OG1 3.2Å; M239-T242 PolarHBondContact O-N 3.25Å |
| 243 | F | 96.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -78 | 129.2 | 176.4 | 177.5 | -98.6 | 0 | 0 | 0 | 111.5 | P226 W227 M239 H245 Q247 L248 | P226-F243 HydrophobicContact CB-CE2 4.28Å; P226-F243 HydrophobicContact CG-CD2 4.29Å; P226-F243 HydrophobicContact CG-CE1 4.39Å; P226-F243 HydrophobicContact CG-CE2 3.61Å; P226-F243 HydrophobicContact CG-CZ 3.66Å; W227-F243 AromaticContact CZ3-CD1 3.96Å; W227-F243 HydrophobicContact CZ3-CD1 3.96Å; W227-F243 HydrophobicContact CZ3-CE1 4.28Å; W227-F243 HydrophobicContact CZ3-CG 4.26Å; M239-F243 WeakPolarHBondContact O-CB 3.42Å; M239-F243 PolarHBondContact O-N 3.06Å; F243-H245 PolarHBondContact O-N 3.48Å; F243-H245 PolarHBondContact O-ND1 3.25Å; F243-Q247 HydrophobicContact CE2-CB 4.05Å; F243-Q247 HydrophobicContact CZ-CB 3.72Å; F243-L248 HydrophobicContact CE1-CD1 4.04Å; F243-L248 HydrophobicContact CE1-CG 3.88Å; F243-L248 HydrophobicContact CZ-CG 4.05Å |
| 244 | D | 96.4 | Very high | 95.8 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | trans | -72.2 | 109.4 | 169.8 | 165.6 | 34.4 | 0 | 0 | 0 | 110.6 | N246 Q247 | D244-N246 PolarHBondContact O-N 3.46Å; D244-N246 VanDerWaalsContact O-N 3.09Å; D244-N246 VanDerWaalsContact OD1-CB 3.26Å; D244-N246 WeakPolarHBondContact OD1-CB 3.35Å; D244-N246 PolarHBondContact OD1-N 2.93Å; D244-N246 PolarHBondContact OD1-ND2 3.31Å; D244-Q247 HydrophobicContact CB-CG 4.19Å; D244-Q247 WeakPolarHBondContact O-CB 3.36Å; D244-Q247 WeakPolarHBondContact O-CG 3.24Å; D244-Q247 PolarHBondContact O-N 3.27Å | ||
| 245 | H | 95.5 | Very high | 95.8 | Very high | 21 Ų | 21 | 62 Ų | 62 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -60 | -19.1 | 179.3 | -62 | 87.9 | 0 | 0 | 0 | 114.4 | W211 Y214 Y215 K240 F243 Q247 L248 L260 | W211-H245 AromaticContact CZ3-CD2 3.57Å; W211-H245 AromaticContact CZ3-CG 3.99Å; W211-H245 AromaticContact CZ3-NE2 3.86Å; Y214-H245 PolarHBondContact OH-O 2.86Å; Y215-H245 AromaticContact CE1-CD2 3.84Å; Y215-H245 AromaticContact CZ-NE2 3.97Å; Y215-H245 PolarHBondContact OH-NE2 3.22Å; K240-H245 PolarHBondContact O-CE1 3.25Å; F243-H245 PolarHBondContact O-N 3.48Å; F243-H245 PolarHBondContact O-ND1 3.25Å; H245-Q247 PolarHBondContact O-N 3.44Å; H245-L248 PolarHBondContact O-N 2.99Å; H245-L260 HydrophobicContact CB-CD1 3.89Å; H245-L260 HydrophobicContact CB-CD2 3.83Å; H245-L260 HydrophobicContact CB-CG 4.48Å |
| 246 | N | 95.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -67.1 | -22.1 | 174.1 | -64.1 | -84.8 | 0 | 0 | 0 | 112.6 | D244 L248 L249 | D244-N246 PolarHBondContact O-N 3.46Å; D244-N246 VanDerWaalsContact O-N 3.09Å; D244-N246 VanDerWaalsContact OD1-CB 3.26Å; D244-N246 WeakPolarHBondContact OD1-CB 3.35Å; D244-N246 PolarHBondContact OD1-N 2.93Å; D244-N246 PolarHBondContact OD1-ND2 3.31Å; N246-L248 PolarHBondContact O-N 3.37Å; N246-L249 HydrophobicContact CB-CD1 4.16Å; N246-L249 VanDerWaalsContact O-CB 3.22Å; N246-L249 WeakPolarHBondContact O-CB 3.37Å; N246-L249 PolarHBondContact O-N 3.17Å; N246-L249 WeakPolarHBondContact OD1-CD1 3.5Å |
| 247 | Q | 94.3 | Very high | 95.8 | Very high | 117 Ų | 117 | 63.6 Ų | 63.6 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -63.3 | -28.3 | 176.3 | -62.7 | -178.7 | 18 | 0 | 0 | 112.5 | F243 D244 H245 L249 K250 | F243-Q247 HydrophobicContact CE2-CB 4.05Å; F243-Q247 HydrophobicContact CZ-CB 3.72Å; D244-Q247 HydrophobicContact CB-CG 4.19Å; D244-Q247 WeakPolarHBondContact O-CB 3.36Å; D244-Q247 WeakPolarHBondContact O-CG 3.24Å; D244-Q247 PolarHBondContact O-N 3.27Å; H245-Q247 PolarHBondContact O-N 3.44Å; Q247-L249 VanDerWaalsContact C-N 3.28Å; Q247-L249 PolarHBondContact O-N 2.86Å; Q247-K250 WeakPolarHBondContact O-CB 3.31Å; Q247-K250 PolarHBondContact O-N 3.37Å |
| 248 | L | 93.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 64.9 Ų | 64.9 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -69.2 | -26.4 | 172.5 | -70.2 | 169.4 | 0 | 0 | 0 | 112.3 | Y214 Y215 L225 F243 H245 N246 K250 M252 | Y214-L248 HydrophobicContact CE1-CD1 3.87Å; Y215-L248 HydrophobicContact CD1-CD1 4.26Å; Y215-L248 HydrophobicContact CE1-CD1 4.5Å; L225-L248 HydrophobicContact CD2-CD1 4.3Å; L225-L248 HydrophobicContact CD2-CD2 4.03Å; F243-L248 HydrophobicContact CE1-CD1 4.04Å; F243-L248 HydrophobicContact CE1-CG 3.88Å; F243-L248 HydrophobicContact CZ-CG 4.05Å; H245-L248 PolarHBondContact O-N 2.99Å; N246-L248 PolarHBondContact O-N 3.37Å; L248-K250 PolarHBondContact O-N 3.28Å; L248-M252 HydrophobicContact CB-CE 4.04Å; L248-M252 WeakPolarHBondContact O-CG 3.19Å |
| 249 | L | 94.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -68.2 | -16.6 | 178.8 | -56.2 | 174.6 | 0 | 0 | 0 | 112.9 | Y214 N246 Q247 F251 M252 F256 R257 L260 | Y214-L249 HydrophobicContact CE2-CD2 4.22Å; Y214-L249 WeakPolarHBondContact OH-CD2 3.3Å; N246-L249 HydrophobicContact CB-CD1 4.16Å; N246-L249 VanDerWaalsContact O-CB 3.22Å; N246-L249 WeakPolarHBondContact O-CB 3.37Å; N246-L249 PolarHBondContact O-N 3.17Å; N246-L249 WeakPolarHBondContact OD1-CD1 3.5Å; Q247-L249 VanDerWaalsContact C-N 3.28Å; Q247-L249 PolarHBondContact O-N 2.86Å; L249-F251 PolarHBondContact O-N 3.42Å; L249-M252 HydrophobicContact CD2-SD 3.82Å; L249-M252 PolarHBondContact O-N 3.48Å; L249-F256 HydrophobicContact CD2-CB 3.81Å; L249-R257 HydrophobicContact CD1-CB 3.9Å; L249-R257 HydrophobicContact CD1-CG 4.19Å; L249-L260 HydrophobicContact CD1-CD2 4.09Å; L249-L260 HydrophobicContact CG-CD2 4.35Å |
| 250 | K | 93.1 | Very high | 95.8 | Very high | 164 Ų | 164 | 57.1 Ų | 57.1 | 71% | 0.713 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -51.1 | -31.6 | -177.5 | -179.7 | 175.5 | 176.2 | -179.9 | 0 | 113.7 | Q247 L248 | Q247-K250 WeakPolarHBondContact O-CB 3.31Å; Q247-K250 PolarHBondContact O-N 3.37Å; L248-K250 PolarHBondContact O-N 3.28Å |
| 251 | F | 89.2 | Confident | 95.8 | Very high | 117 Ų | 117 | 61.1 Ų | 61.1 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -116.7 | 0.1 | -179.8 | -54.8 | -70.4 | 0 | 0 | 0 | 113.4 | I221 V222 L249 | I221-F251 HydrophobicContact CG2-CB 4.19Å; I221-F251 WeakPolarHBondContact CG2-O 3.48Å; V222-F251 HydrophobicContact CG2-CB 4.24Å; V222-F251 HydrophobicContact CG2-CD2 4.05Å; L249-F251 PolarHBondContact O-N 3.42Å |
| 252 | M | 94.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -87.5 | 160.9 | 177.5 | -65.2 | 177.9 | 175.2 | 0 | 0 | 111.3 | Y214 I221 L248 L249 F256 | Y214-M252 HydrophobicContact CE2-CE 3.99Å; Y214-M252 HydrophobicContact CE2-SD 3.82Å; I221-M252 HydrophobicContact CD1-CG 4.16Å; L248-M252 HydrophobicContact CB-CE 4.04Å; L248-M252 WeakPolarHBondContact O-CG 3.19Å; L249-M252 HydrophobicContact CD2-SD 3.82Å; L249-M252 PolarHBondContact O-N 3.48Å; M252-F256 HydrophobicContact CB-CB 3.91Å; M252-F256 HydrophobicContact CB-CD1 4.32Å; M252-F256 HydrophobicContact CB-CG 4.01Å; M252-F256 HydrophobicContact CE-CD1 4.45Å; M252-F256 HydrophobicContact CG-CB 4.49Å; M252-F256 HydrophobicContact CG-CD1 4.23Å; M252-F256 HydrophobicContact CG-CG 4.41Å; M252-F256 HydrophobicContact SD-CB 3.89Å; M252-F256 HydrophobicContact SD-CD1 3.54Å; M252-F256 VanDerWaalsContact SD-CD1 3.54Å; M252-F256 HydrophobicContact SD-CE1 4.39Å; M252-F256 HydrophobicContact SD-CG 4Å |
| 253 | P | 95.4 | Very high | 96 | Very high | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | trans | -55.4 | 147.2 | 163.9 | -25.7 | 35.7 | 0 | 0 | 0 | 113 | I112 E255 F256 Y284 | I112-P253 HydrophobicContact CG2-CG 3.7Å; P253-E255 WeakPolarHBondContact CB-OE2 3.41Å; P253-E255 PolarHBondContact O-N 2.79Å; P253-E255 VanDerWaalsContact O-N 3.08Å; P253-F256 HydrophobicContact CB-CD2 3.87Å; P253-F256 HydrophobicContact CB-CE2 4.24Å; P253-F256 HydrophobicContact CG-CD2 3.91Å; P253-F256 HydrophobicContact CG-CE2 3.84Å; P253-F256 WeakPolarHBondContact O-CB 3.45Å; P253-F256 PolarHBondContact O-N 3.19Å; P253-Y284 HydrophobicContact CB-CD2 3.4Å; P253-Y284 HydrophobicContact CB-CE2 3.48Å; P253-Y284 VanDerWaalsContact CB-CE2 3.48Å; P253-Y284 HydrophobicContact CB-CG 4.04Å; P253-Y284 HydrophobicContact CG-CD1 4.26Å; P253-Y284 HydrophobicContact CG-CD2 3.69Å; P253-Y284 HydrophobicContact CG-CE1 4.06Å; P253-Y284 HydrophobicContact CG-CE2 3.44Å; P253-Y284 VanDerWaalsContact CG-CE2 3.44Å; P253-Y284 HydrophobicContact CG-CG 4.06Å | ||
| 254 | R | 95.7 | Very high | 96 | Very high | 174 Ų | 174 | 55.3 Ų | 55.3 | 66% | 0.657 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.2 | 174.9 | 66.1 | -179 | -172.9 | 173.8 | 10.9 | 113 | F256 R257 P258 R287 | R254-F256 PolarHBondContact O-N 3.47Å; R254-R257 WeakPolarHBondContact O-CB 3.47Å; R254-R257 PolarHBondContact O-N 2.87Å; R254-R257 VanDerWaalsContact O-N 3.09Å; R254-P258 WeakPolarHBondContact O-CD 3.4Å; R254-R287 VanDerWaalsContact NH2-CD 3.26Å |
| 255 | E | 96.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.6 | 176.9 | -64.3 | 75.4 | -165.2 | 0 | 0 | 113.2 | P253 P258 Y284 R287 | P253-E255 WeakPolarHBondContact CB-OE2 3.41Å; P253-E255 PolarHBondContact O-N 2.79Å; P253-E255 VanDerWaalsContact O-N 3.08Å; E255-P258 WeakPolarHBondContact O-CG 3.43Å; E255-Y284 WeakPolarHBondContact OE2-CD2 3.46Å; E255-R287 VanDerWaalsContact CD-NH2 3.26Å; E255-R287 IonicContact OE1-CZ 3.65Å; E255-R287 VanDerWaalsContact OE1-CZ 3.26Å; E255-R287 IonicContact OE1-NE 2.72Å; E255-R287 PolarHBondContact OE1-NE 3.12Å; E255-R287 IonicContact OE1-NH2 2.66Å; E255-R287 PolarHBondContact OE1-NH2 3.48Å; E255-R287 IonicContact OE2-CZ 3.29Å; E255-R287 IonicContact OE2-NE 3.85Å; E255-R287 IonicContact OE2-NH2 2.66Å; E255-R287 PolarHBondContact OE2-NH2 3.27Å |
| 256 | F | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.7 | -14.9 | 173.1 | -79.1 | -119.4 | 0 | 0 | 0 | 113.3 | V116 L217 L249 M252 P253 R254 F259 L260 L281 | V116-F256 HydrophobicContact CG2-CE2 4.15Å; V116-F256 HydrophobicContact CG2-CZ 4.32Å; L217-F256 HydrophobicContact CB-CE1 3.8Å; L217-F256 HydrophobicContact CD1-CE1 3.63Å; L217-F256 HydrophobicContact CD1-CZ 4.08Å; L217-F256 HydrophobicContact CG-CE1 4.31Å; L249-F256 HydrophobicContact CD2-CB 3.81Å; M252-F256 HydrophobicContact CB-CB 3.91Å; M252-F256 HydrophobicContact CB-CD1 4.32Å; M252-F256 HydrophobicContact CB-CG 4.01Å; M252-F256 HydrophobicContact CE-CD1 4.45Å; M252-F256 HydrophobicContact CG-CB 4.49Å; M252-F256 HydrophobicContact CG-CD1 4.23Å; M252-F256 HydrophobicContact CG-CG 4.41Å; M252-F256 HydrophobicContact SD-CB 3.89Å; M252-F256 HydrophobicContact SD-CD1 3.54Å; M252-F256 VanDerWaalsContact SD-CD1 3.54Å; M252-F256 HydrophobicContact SD-CE1 4.39Å; M252-F256 HydrophobicContact SD-CG 4Å; P253-F256 HydrophobicContact CB-CD2 3.87Å; P253-F256 HydrophobicContact CB-CE2 4.24Å; P253-F256 HydrophobicContact CG-CD2 3.91Å; P253-F256 HydrophobicContact CG-CE2 3.84Å; P253-F256 WeakPolarHBondContact O-CB 3.45Å; P253-F256 PolarHBondContact O-N 3.19Å; R254-F256 PolarHBondContact O-N 3.47Å; F256-F259 WeakPolarHBondContact O-CB 3.4Å; F256-F259 PolarHBondContact O-N 3.23Å; F256-L260 WeakPolarHBondContact O-CB 3.43Å; F256-L260 PolarHBondContact O-N 3.16Å; F256-L281 HydrophobicContact CE2-CD2 4.2Å; F256-L281 HydrophobicContact CZ-CD2 4.19Å |
| 257 | R | 97.9 | Very high | 96.3 | Very high | 133 Ų | 133 | 59 Ų | 59 | 50% | 0.502 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -57.6 | 172.1 | 177.3 | 170.6 | -67 | -177.8 | 1.3 | 111.6 | L249 R254 F259 L260 E261 | L249-R257 HydrophobicContact CD1-CB 3.9Å; L249-R257 HydrophobicContact CD1-CG 4.19Å; R254-R257 WeakPolarHBondContact O-CB 3.47Å; R254-R257 PolarHBondContact O-N 2.87Å; R254-R257 VanDerWaalsContact O-N 3.09Å; R257-F259 PolarHBondContact O-N 3.2Å; R257-L260 WeakPolarHBondContact O-CB 3.46Å; R257-L260 PolarHBondContact O-N 2.97Å; R257-E261 WeakPolarHBondContact CD-OE1 3.11Å; R257-E261 HydrophobicContact CG-CG 4.3Å; R257-E261 WeakPolarHBondContact CG-OE1 3.22Å; R257-E261 WeakPolarHBondContact O-CG 3.4Å; R257-E261 PolarHBondContact O-N 3.15Å |
| 258 | P | 98.2 | Very high | 96.5 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -27.4 | 174.2 | 20 | -30.9 | 0 | 0 | 0 | 113.7 | R254 E255 E261 H262 Y276 L280 | R254-P258 WeakPolarHBondContact O-CD 3.4Å; E255-P258 WeakPolarHBondContact O-CG 3.43Å; P258-E261 WeakPolarHBondContact CA-OE2 3.27Å; P258-H262 VanDerWaalsContact O-CB 3.29Å; P258-H262 WeakPolarHBondContact O-CB 3.07Å; P258-H262 PolarHBondContact O-N 3.4Å; P258-Y276 HydrophobicContact CB-CE1 4.41Å; P258-Y276 VanDerWaalsContact CB-OH 3.22Å; P258-Y276 WeakPolarHBondContact CB-OH 3.23Å; P258-L280 HydrophobicContact CB-CD1 3.96Å; P258-L280 HydrophobicContact CB-CD2 4.11Å; P258-L280 HydrophobicContact CG-CD1 4Å; P258-L280 HydrophobicContact CG-CD2 3.6Å; P258-L280 HydrophobicContact CG-CG 4.46Å |
| 259 | F | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 170.7 | -168 | -66.2 | 0 | 0 | 0 | 111 | L213 Y214 F256 R257 I263 L277 L280 | L213-F259 HydrophobicContact CD2-CZ 4.13Å; Y214-F259 HydrophobicContact CD2-CD1 4.29Å; F256-F259 WeakPolarHBondContact O-CB 3.4Å; F256-F259 PolarHBondContact O-N 3.23Å; R257-F259 PolarHBondContact O-N 3.2Å; F259-I263 HydrophobicContact CD1-CD1 4.42Å; F259-I263 HydrophobicContact CD1-CG2 4.48Å; F259-I263 HydrophobicContact CE1-CD1 4.35Å; F259-I263 HydrophobicContact CE1-CG2 4.3Å; F259-I263 PolarHBondContact O-N 3.2Å; F259-L277 HydrophobicContact CB-CD2 4.27Å; F259-L277 HydrophobicContact CD1-CD2 4.11Å; F259-L277 HydrophobicContact CD2-CD2 3.53Å; F259-L277 HydrophobicContact CE1-CD2 4.31Å; F259-L277 HydrophobicContact CE2-CB 4.24Å; F259-L277 HydrophobicContact CE2-CD2 3.77Å; F259-L277 HydrophobicContact CE2-CG 4.43Å; F259-L277 HydrophobicContact CG-CD2 3.69Å; F259-L277 HydrophobicContact CZ-CD2 4.14Å; F259-L280 HydrophobicContact CB-CD1 4.11Å |
| 260 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 177.4 | 175.3 | 63.3 | 0 | 0 | 0 | 111.5 | W211 Y214 H245 L249 F256 R257 H262 I263 Q264 | W211-L260 HydrophobicContact CH2-CD1 3.75Å; W211-L260 HydrophobicContact CZ3-CD1 3.91Å; Y214-L260 HydrophobicContact CD1-CD1 4.27Å; Y214-L260 HydrophobicContact CE1-CD1 3.83Å; Y214-L260 HydrophobicContact CE2-CB 4.11Å; Y214-L260 HydrophobicContact CE2-CD1 4.33Å; H245-L260 HydrophobicContact CB-CD1 3.89Å; H245-L260 HydrophobicContact CB-CD2 3.83Å; H245-L260 HydrophobicContact CB-CG 4.48Å; L249-L260 HydrophobicContact CD1-CD2 4.09Å; L249-L260 HydrophobicContact CG-CD2 4.35Å; F256-L260 WeakPolarHBondContact O-CB 3.43Å; F256-L260 PolarHBondContact O-N 3.16Å; R257-L260 WeakPolarHBondContact O-CB 3.46Å; R257-L260 PolarHBondContact O-N 2.97Å; L260-H262 VanDerWaalsContact C-N 3.28Å; L260-H262 PolarHBondContact O-N 3.38Å; L260-I263 HydrophobicContact CD1-CG1 4.47Å; L260-I263 WeakPolarHBondContact O-CG1 3.4Å; L260-I263 PolarHBondContact O-N 3.42Å; L260-Q264 HydrophobicContact CD1-CG 3.96Å; L260-Q264 HydrophobicContact CG-CG 4.27Å; L260-Q264 WeakPolarHBondContact O-CB 3.34Å; L260-Q264 WeakPolarHBondContact O-CG 3.32Å; L260-Q264 PolarHBondContact O-N 2.87Å |
| 261 | E | 98.2 | Very high | 97.2 | Very high | 84 Ų | 84 | 60 Ų | 60 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.9 | -40.9 | -179.6 | -69.5 | 163 | 169 | 0 | 0 | 111 | R257 P258 N265 | R257-E261 WeakPolarHBondContact CD-OE1 3.11Å; R257-E261 HydrophobicContact CG-CG 4.3Å; R257-E261 WeakPolarHBondContact CG-OE1 3.22Å; R257-E261 WeakPolarHBondContact O-CG 3.4Å; R257-E261 PolarHBondContact O-N 3.15Å; P258-E261 WeakPolarHBondContact CA-OE2 3.27Å; E261-N265 PolarHBondContact O-N 3.01Å; E261-N265 PolarHBondContact O-ND2 3.1Å |
| 262 | H | 98.6 | Very high | 97.7 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -53.8 | 173.4 | -174.9 | 70.2 | 0 | 0 | 0 | 112.4 | P258 L260 Q264 N265 L266 D273 Y276 L277 | P258-H262 VanDerWaalsContact O-CB 3.29Å; P258-H262 WeakPolarHBondContact O-CB 3.07Å; P258-H262 PolarHBondContact O-N 3.4Å; L260-H262 VanDerWaalsContact C-N 3.28Å; L260-H262 PolarHBondContact O-N 3.38Å; H262-Q264 VanDerWaalsContact C-N 3.26Å; H262-Q264 PolarHBondContact O-N 3.35Å; H262-N265 PolarHBondContact O-N 2.86Å; H262-N265 VanDerWaalsContact O-N 3.17Å; H262-L266 WeakPolarHBondContact O-CG 3.02Å; H262-D273 PolarHBondContact NE2-N 2.94Å; H262-D273 VanDerWaalsContact NE2-N 3.17Å; H262-D273 PolarHBondContact NE2-O 3.19Å; H262-Y276 HydrophobicContact CB-CD1 4.4Å; H262-Y276 HydrophobicContact CB-CE1 4.24Å; H262-L277 HydrophobicContact CB-CD2 4.46Å |
| 263 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.8 | -17.7 | -177 | 68.1 | 171.8 | 0 | 0 | 0 | 114 | L210 W211 Y214 F259 L260 | L210-I263 HydrophobicContact CB-CG2 4Å; L210-I263 HydrophobicContact CD1-CG2 4.37Å; W211-I263 HydrophobicContact CD2-CD1 3.88Å; W211-I263 HydrophobicContact CD2-CG1 4.36Å; W211-I263 HydrophobicContact CE3-CD1 3.99Å; W211-I263 HydrophobicContact CG-CD1 4.25Å; W211-I263 HydrophobicContact CZ2-CG1 4.31Å; W211-I263 HydrophobicContact CZ3-CD1 4.38Å; W211-I263 PolarHBondContact NE1-O 3.45Å; Y214-I263 HydrophobicContact CG-CD1 4.06Å; F259-I263 HydrophobicContact CD1-CD1 4.42Å; F259-I263 HydrophobicContact CD1-CG2 4.48Å; F259-I263 HydrophobicContact CE1-CD1 4.35Å; F259-I263 HydrophobicContact CE1-CG2 4.3Å; F259-I263 PolarHBondContact O-N 3.2Å; L260-I263 HydrophobicContact CD1-CG1 4.47Å; L260-I263 WeakPolarHBondContact O-CG1 3.4Å; L260-I263 PolarHBondContact O-N 3.42Å |
| 264 | Q | 97.6 | Very high | 98 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.6 | -35.3 | 170.5 | -80.1 | 174.8 | -30.4 | 0 | 0 | 112.6 | W211 L260 H262 | W211-Q264 HydrophobicContact CH2-CG 3.64Å; W211-Q264 HydrophobicContact CZ2-CB 4.37Å; W211-Q264 HydrophobicContact CZ2-CG 3.54Å; L260-Q264 HydrophobicContact CD1-CG 3.96Å; L260-Q264 HydrophobicContact CG-CG 4.27Å; L260-Q264 WeakPolarHBondContact O-CB 3.34Å; L260-Q264 WeakPolarHBondContact O-CG 3.32Å; L260-Q264 PolarHBondContact O-N 2.87Å; H262-Q264 VanDerWaalsContact C-N 3.26Å; H262-Q264 PolarHBondContact O-N 3.35Å |
| 265 | N | 97.7 | Very high | 98.1 | Very high | 134 Ų | 134 | 54.7 Ų | 54.7 | 72% | 0.717 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -83.5 | -9.8 | -177 | -70.7 | -36.4 | 0 | 0 | 0 | 114.2 | E261 H262 | E261-N265 PolarHBondContact O-N 3.01Å; E261-N265 PolarHBondContact O-ND2 3.1Å; H262-N265 PolarHBondContact O-N 2.86Å; H262-N265 VanDerWaalsContact O-N 3.17Å |
| 266 | L | 98.5 | Very high | 98.2 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | trans | -83.7 | 137.1 | -178.2 | -66.5 | 170.1 | 0 | 0 | 0 | 113.3 | H207 H262 D270 P272 | H207-L266 HydrophobicContact CB-CB 3.7Å; H207-L266 HydrophobicContact CB-CD1 4.08Å; H207-L266 PolarHBondContact CD2-O 3.34Å; H262-L266 WeakPolarHBondContact O-CG 3.02Å; L266-D270 HydrophobicContact CD2-CB 3.64Å; L266-P272 HydrophobicContact CD1-CB 3.71Å; L266-P272 HydrophobicContact CD1-CG 3.93Å | ||
| 267 | T | 98.2 | Very high | 98.3 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | trans | -100.2 | -179.2 | 170 | 81.7 | 0 | 0 | 0 | 0 | 111.9 | F269 D270 | T267-F269 VanDerWaalsContact C-N 3.25Å; T267-F269 PolarHBondContact O-N 3.43Å; T267-F269 PolarHBondContact OG1-N 2.91Å; T267-D270 WeakPolarHBondContact CA-OD2 3.37Å; T267-D270 WeakPolarHBondContact CB-OD2 3.48Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.42Å; T267-D270 PolarHBondContact N-OD2 2.81Å; T267-D270 PolarHBondContact O-N 3.25Å; T267-D270 PolarHBondContact OG1-OD2 3.22Å | ||
| 268 | Y | 98.3 | Very high | 98.3 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -56.5 | -35 | 174.3 | 171.3 | -95.2 | 0 | 0 | 0 | 113.8 | I178 R179 P181 E203 L204 | I178-Y268 HydrophobicContact CG2-CD1 4.29Å; I178-Y268 HydrophobicContact CG2-CE1 3.57Å; R179-Y268 VanDerWaalsContact O-CE1 3.26Å; R179-Y268 WeakPolarHBondContact O-CE1 3.43Å; R179-Y268 PolarHBondContact O-OH 3.49Å; P181-Y268 HydrophobicContact CB-CD1 3.96Å; P181-Y268 HydrophobicContact CB-CD2 4.48Å; P181-Y268 HydrophobicContact CB-CE1 3.81Å; P181-Y268 HydrophobicContact CB-CE2 4.37Å; P181-Y268 HydrophobicContact CB-CG 4.31Å; P181-Y268 HydrophobicContact CG-CD1 4.04Å; P181-Y268 HydrophobicContact CG-CE1 4.06Å; E203-Y268 HydrophobicContact CB-CE2 4.32Å; E203-Y268 HydrophobicContact CG-CD2 4.35Å; E203-Y268 HydrophobicContact CG-CE2 3.67Å; L204-Y268 WeakPolarHBondContact O-CD2 3.37Å; L204-Y268 VanDerWaalsContact O-CE2 3.23Å; L204-Y268 WeakPolarHBondContact O-CE2 3.48Å |
| 269 | F | 98.3 | Very high | 98.3 | Very high | 114 Ų | 114 | 54.2 Ų | 54.2 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -83.4 | -25.9 | -173.5 | -62.4 | -75.8 | 0 | 0 | 0 | 113.2 | I178 P181 R206 T267 | I178-F269 HydrophobicContact CG2-CD1 4.11Å; P181-F269 HydrophobicContact CG-CZ 3.86Å; R206-F269 PolarHBondContact NH2-O 2.95Å; T267-F269 VanDerWaalsContact C-N 3.25Å; T267-F269 PolarHBondContact O-N 3.43Å; T267-F269 PolarHBondContact OG1-N 2.91Å |
| 270 | D | 98.1 | Very high | 98.3 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 146.8 | -170.9 | -56.9 | -58.9 | 0 | 0 | 0 | 112.1 | R206 L266 T267 | R206-D270 VanDerWaalsContact CZ-O 3.26Å; R206-D270 PolarHBondContact NE-O 3.39Å; R206-D270 PolarHBondContact NH2-O 3.49Å; L266-D270 HydrophobicContact CD2-CB 3.64Å; T267-D270 WeakPolarHBondContact CA-OD2 3.37Å; T267-D270 WeakPolarHBondContact CB-OD2 3.48Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.42Å; T267-D270 PolarHBondContact N-OD2 2.81Å; T267-D270 PolarHBondContact O-N 3.25Å; T267-D270 PolarHBondContact OG1-OD2 3.22Å |
| 271 | R | 98.2 | Very high | 98.3 | Very high | 128 Ų | 128 | 55.3 Ų | 55.3 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 118.8 | 167.2 | 176.9 | 173.7 | 167.2 | 87.9 | 8.5 | 107.1 | E127 N131 D273 Y274 | E127-R271 IonicContact OE1-CZ 2.64Å; E127-R271 IonicContact OE1-NH2 2.8Å; E127-R271 PolarHBondContact OE1-NH2 2.99Å; N131-R271 PolarHBondContact OD1-NH1 3.35Å; R271-D273 PolarHBondContact O-N 3.47Å; R271-Y274 HydrophobicContact CG-CE2 4.34Å |
| 272 | P | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 135.6 | 170.3 | -17.6 | 27.5 | 0 | 0 | 0 | 110.1 | R206 L210 L266 Y274 | R206-P272 HydrophobicContact CB-CG 3.72Å; L210-P272 HydrophobicContact CD1-CB 3.45Å; L210-P272 VanDerWaalsContact CD1-CB 3.45Å; L210-P272 HydrophobicContact CD1-CG 3.6Å; L266-P272 HydrophobicContact CD1-CB 3.71Å; L266-P272 HydrophobicContact CD1-CG 3.93Å; P272-Y274 HydrophobicContact CB-CE1 4.1Å; P272-Y274 HydrophobicContact CB-CE2 4.29Å; P272-Y274 HydrophobicContact CG-CE1 4.3Å; P272-Y274 WeakPolarHBondContact O-CD2 3.44Å; P272-Y274 WeakPolarHBondContact O-CE2 2.94Å; P272-Y274 PolarHBondContact O-N 3.28Å; P272-Y274 VanDerWaalsContact O-N 3.09Å |
| 273 | D | 98.6 | Very high | 98.3 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | trans | -73.6 | 96.6 | 166.5 | -170.9 | -16.3 | 0 | 0 | 0 | 109.9 | H262 R271 M275 Y276 L277 | H262-D273 PolarHBondContact NE2-N 2.94Å; H262-D273 VanDerWaalsContact NE2-N 3.17Å; H262-D273 PolarHBondContact NE2-O 3.19Å; R271-D273 PolarHBondContact O-N 3.47Å; D273-M275 VanDerWaalsContact C-N 3.31Å; D273-M275 WeakPolarHBondContact OD1-CA 3.38Å; D273-M275 WeakPolarHBondContact OD1-CB 3.22Å; D273-M275 PolarHBondContact OD1-N 2.88Å; D273-Y276 VanDerWaalsContact CG-CB 3.49Å; D273-Y276 PolarHBondContact OD1-N 2.86Å; D273-L277 WeakPolarHBondContact O-CG 3.41Å; D273-L277 PolarHBondContact O-N 3.25Å | ||
| 274 | Y | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.2 | -25.7 | 175.1 | -53 | -83.4 | 0 | 0 | 0 | 112.4 | L123 E127 H130 L210 R271 P272 L277 H278 | L123-Y274 HydrophobicContact CD1-CD1 3.98Å; E127-Y274 HydrophobicContact CB-CD1 3.85Å; E127-Y274 HydrophobicContact CB-CD2 4.42Å; E127-Y274 HydrophobicContact CB-CE1 4.12Å; E127-Y274 HydrophobicContact CB-CG 4.03Å; E127-Y274 HydrophobicContact CG-CD1 4.4Å; E127-Y274 HydrophobicContact CG-CD2 4.08Å; E127-Y274 HydrophobicContact CG-CE2 4.36Å; E127-Y274 HydrophobicContact CG-CG 4.11Å; E127-Y274 WeakPolarHBondContact OE1-CD2 3.25Å; E127-Y274 VanDerWaalsContact OE2-CB 3.22Å; E127-Y274 WeakPolarHBondContact OE2-CB 3.16Å; H130-Y274 AromaticContact ND1-CE1 3.99Å; H130-Y274 AromaticContact ND1-CZ 3.76Å; H130-Y274 PolarHBondContact ND1-OH 3.25Å; L210-Y274 HydrophobicContact CD1-CE1 4.23Å; L210-Y274 HydrophobicContact CD2-CE1 4.46Å; R271-Y274 HydrophobicContact CG-CE2 4.34Å; P272-Y274 HydrophobicContact CB-CE1 4.1Å; P272-Y274 HydrophobicContact CB-CE2 4.29Å; P272-Y274 HydrophobicContact CG-CE1 4.3Å; P272-Y274 WeakPolarHBondContact O-CD2 3.44Å; P272-Y274 WeakPolarHBondContact O-CE2 2.94Å; P272-Y274 PolarHBondContact O-N 3.28Å; P272-Y274 VanDerWaalsContact O-N 3.09Å; Y274-L277 PolarHBondContact O-N 3.19Å; Y274-H278 WeakPolarHBondContact O-CB 3.18Å; Y274-H278 PolarHBondContact O-CD2 3.28Å; Y274-H278 PolarHBondContact O-N 2.99Å |
| 275 | M | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 60% | 0.601 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -72.4 | -39.8 | 179.9 | -62 | -62.9 | 97.4 | 0 | 0 | 110.5 | D273 H278 S279 | D273-M275 VanDerWaalsContact C-N 3.31Å; D273-M275 WeakPolarHBondContact OD1-CA 3.38Å; D273-M275 WeakPolarHBondContact OD1-CB 3.22Å; D273-M275 PolarHBondContact OD1-N 2.88Å; M275-H278 PolarHBondContact O-N 2.97Å; M275-S279 PolarHBondContact O-N 2.79Å |
| 276 | Y | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 37% | 0.365 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 168.9 | -177.3 | -117.5 | 0 | 0 | 0 | 112 | P258 H262 D273 H278 S279 L280 | P258-Y276 HydrophobicContact CB-CE1 4.41Å; P258-Y276 VanDerWaalsContact CB-OH 3.22Å; P258-Y276 WeakPolarHBondContact CB-OH 3.23Å; H262-Y276 HydrophobicContact CB-CD1 4.4Å; H262-Y276 HydrophobicContact CB-CE1 4.24Å; D273-Y276 VanDerWaalsContact CG-CB 3.49Å; D273-Y276 PolarHBondContact OD1-N 2.86Å; Y276-H278 PolarHBondContact O-N 3.21Å; Y276-S279 PolarHBondContact O-N 3.29Å; Y276-S279 VanDerWaalsContact O-N 3.15Å; Y276-S279 PolarHBondContact O-OG 3.31Å; Y276-L280 HydrophobicContact CD1-CD1 4.2Å; Y276-L280 HydrophobicContact CE1-CD1 3.84Å; Y276-L280 HydrophobicContact CE2-CD2 4.38Å; Y276-L280 HydrophobicContact CE2-CG 4.46Å; Y276-L280 WeakPolarHBondContact O-CG 3.37Å; Y276-L280 PolarHBondContact O-N 3.34Å; Y276-L280 VanDerWaalsContact O-N 3.09Å |
| 277 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -32.5 | 177.2 | -67 | 176.6 | 0 | 0 | 0 | 112.6 | L123 L210 F259 H262 D273 Y274 L281 | L123-L277 HydrophobicContact CD1-CB 4.42Å; L123-L277 HydrophobicContact CD1-CD1 4.27Å; L123-L277 HydrophobicContact CD2-CB 3.64Å; L210-L277 HydrophobicContact CD1-CD1 3.85Å; L210-L277 HydrophobicContact CD2-CD1 4.42Å; F259-L277 HydrophobicContact CB-CD2 4.27Å; F259-L277 HydrophobicContact CD1-CD2 4.11Å; F259-L277 HydrophobicContact CD2-CD2 3.53Å; F259-L277 HydrophobicContact CE1-CD2 4.31Å; F259-L277 HydrophobicContact CE2-CB 4.24Å; F259-L277 HydrophobicContact CE2-CD2 3.77Å; F259-L277 HydrophobicContact CE2-CG 4.43Å; F259-L277 HydrophobicContact CG-CD2 3.69Å; F259-L277 HydrophobicContact CZ-CD2 4.14Å; H262-L277 HydrophobicContact CB-CD2 4.46Å; D273-L277 WeakPolarHBondContact O-CG 3.41Å; D273-L277 PolarHBondContact O-N 3.25Å; Y274-L277 PolarHBondContact O-N 3.19Å; L277-L281 WeakPolarHBondContact O-CG 3.33Å |
| 278 | H | 98.4 | Very high | 98.1 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 171.9 | -89.4 | -63.1 | 0 | 0 | 0 | 112.9 | R120 L123 Y274 M275 Y276 L280 L281 N282 | R120-H278 PolarHBondContact O-CE1 3.45Å; L123-H278 HydrophobicContact CD2-CB 4.49Å; Y274-H278 WeakPolarHBondContact O-CB 3.18Å; Y274-H278 PolarHBondContact O-CD2 3.28Å; Y274-H278 PolarHBondContact O-N 2.99Å; M275-H278 PolarHBondContact O-N 2.97Å; Y276-H278 PolarHBondContact O-N 3.21Å; H278-L280 VanDerWaalsContact C-N 3.33Å; H278-L280 PolarHBondContact O-N 3.38Å; H278-L281 PolarHBondContact O-N 3.26Å; H278-N282 PolarHBondContact O-N 3.41Å; H278-N282 PolarHBondContact O-OD1 2.55Å; H278-N282 VanDerWaalsContact O-OD1 3.1Å |
| 279 | S | 98.5 | Very high | 98 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | -179.1 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | M275 Y276 L281 N282 A283 | M275-S279 PolarHBondContact O-N 2.79Å; Y276-S279 PolarHBondContact O-N 3.29Å; Y276-S279 VanDerWaalsContact O-N 3.15Å; Y276-S279 PolarHBondContact O-OG 3.31Å; S279-L281 PolarHBondContact O-N 3.25Å; S279-N282 PolarHBondContact O-N 3.28Å; S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.33Å; S279-A283 PolarHBondContact O-N 3.39Å |
| 280 | L | 98.5 | Very high | 98 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 172.5 | -67.9 | 177.1 | 0 | 0 | 0 | 112.9 | P258 F259 Y276 H278 Y284 | P258-L280 HydrophobicContact CB-CD1 3.96Å; P258-L280 HydrophobicContact CB-CD2 4.11Å; P258-L280 HydrophobicContact CG-CD1 4Å; P258-L280 HydrophobicContact CG-CD2 3.6Å; P258-L280 HydrophobicContact CG-CG 4.46Å; F259-L280 HydrophobicContact CB-CD1 4.11Å; Y276-L280 HydrophobicContact CD1-CD1 4.2Å; Y276-L280 HydrophobicContact CE1-CD1 3.84Å; Y276-L280 HydrophobicContact CE2-CD2 4.38Å; Y276-L280 HydrophobicContact CE2-CG 4.46Å; Y276-L280 WeakPolarHBondContact O-CG 3.37Å; Y276-L280 PolarHBondContact O-N 3.34Å; Y276-L280 VanDerWaalsContact O-N 3.09Å; H278-L280 VanDerWaalsContact C-N 3.33Å; H278-L280 PolarHBondContact O-N 3.38Å; L280-Y284 PolarHBondContact O-N 3.01Å |
| 281 | L | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.5 | -40 | 177.8 | -63.1 | 171.8 | 0 | 0 | 0 | 111.6 | V116 A119 R120 L123 F256 L277 H278 S279 Y284 M285 | V116-L281 HydrophobicContact CG1-CB 4.18Å; V116-L281 HydrophobicContact CG1-CD2 4.11Å; A119-L281 HydrophobicContact CB-CD1 3.91Å; A119-L281 HydrophobicContact CB-CD2 3.89Å; R120-L281 HydrophobicContact CG-CB 3.95Å; R120-L281 HydrophobicContact CG-CD1 4.06Å; L123-L281 HydrophobicContact CD2-CD1 4.12Å; F256-L281 HydrophobicContact CE2-CD2 4.2Å; F256-L281 HydrophobicContact CZ-CD2 4.19Å; L277-L281 WeakPolarHBondContact O-CG 3.33Å; H278-L281 PolarHBondContact O-N 3.26Å; S279-L281 PolarHBondContact O-N 3.25Å; L281-Y284 PolarHBondContact O-N 3.38Å; L281-M285 PolarHBondContact O-N 3.23Å |
| 282 | N | 97.8 | Very high | 97.8 | Very high | 45 Ų | 45 | 62.8 Ų | 62.8 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 176.5 | -62.1 | -3.9 | 0 | 0 | 0 | 111.3 | R120 H278 S279 Y284 M285 E286 | R120-N282 PolarHBondContact NH1-OD1 2.84Å; H278-N282 PolarHBondContact O-N 3.41Å; H278-N282 PolarHBondContact O-OD1 2.55Å; H278-N282 VanDerWaalsContact O-OD1 3.1Å; S279-N282 PolarHBondContact O-N 3.28Å; N282-Y284 PolarHBondContact O-N 2.74Å; N282-M285 WeakPolarHBondContact O-CA 3.5Å; N282-M285 WeakPolarHBondContact O-CB 3.46Å; N282-M285 PolarHBondContact O-N 3.38Å; N282-E286 WeakPolarHBondContact O-CG 3.43Å; N282-E286 PolarHBondContact O-N 2.7Å |
| 283 | A | 97.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 66.7 Ų | 66.7 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59 | -32.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S279 R287 | S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.33Å; S279-A283 PolarHBondContact O-N 3.39Å; A283-R287 WeakPolarHBondContact O-CB 3.35Å; A283-R287 PolarHBondContact O-N 2.93Å; A283-R287 VanDerWaalsContact O-N 3.15Å |
| 284 | Y | 97.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 64.8 Ų | 64.8 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.7 | -46.7 | 170 | -178.8 | -100.8 | 0 | 0 | 0 | 112.7 | I112 V116 P253 E255 L280 L281 N282 R287 R288 I290 | I112-Y284 HydrophobicContact CB-CE1 4.42Å; I112-Y284 HydrophobicContact CG2-CE1 3.59Å; I112-Y284 WeakPolarHBondContact CG2-OH 3.2Å; V116-Y284 HydrophobicContact CB-CD1 4.26Å; V116-Y284 HydrophobicContact CG1-CD1 4.17Å; V116-Y284 HydrophobicContact CG2-CD1 3.78Å; V116-Y284 HydrophobicContact CG2-CE1 4.06Å; P253-Y284 HydrophobicContact CB-CD2 3.4Å; P253-Y284 HydrophobicContact CB-CE2 3.48Å; P253-Y284 VanDerWaalsContact CB-CE2 3.48Å; P253-Y284 HydrophobicContact CB-CG 4.04Å; P253-Y284 HydrophobicContact CG-CD1 4.26Å; P253-Y284 HydrophobicContact CG-CD2 3.69Å; P253-Y284 HydrophobicContact CG-CE1 4.06Å; P253-Y284 HydrophobicContact CG-CE2 3.44Å; P253-Y284 VanDerWaalsContact CG-CE2 3.44Å; P253-Y284 HydrophobicContact CG-CG 4.06Å; E255-Y284 WeakPolarHBondContact OE2-CD2 3.46Å; L280-Y284 PolarHBondContact O-N 3.01Å; L281-Y284 PolarHBondContact O-N 3.38Å; N282-Y284 PolarHBondContact O-N 2.74Å; Y284-R287 PolarHBondContact O-N 3.44Å; Y284-R288 HydrophobicContact CD2-CG 4.29Å; Y284-R288 HydrophobicContact CE1-CB 4.44Å; Y284-R288 HydrophobicContact CE1-CG 4.08Å; Y284-R288 HydrophobicContact CE2-CG 3.71Å; Y284-R288 WeakPolarHBondContact O-CB 3.45Å; Y284-R288 PolarHBondContact O-N 3.32Å; Y284-I290 HydrophobicContact CD1-CD1 3.95Å; Y284-I290 HydrophobicContact CE1-CD1 3.49Å; Y284-I290 VanDerWaalsContact CE1-CD1 3.49Å |
| 285 | M | 97.9 | Very high | 97.4 | Very high | 14 Ų | 14 | 68.3 Ų | 68.3 | 7% | 0.069 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | -179.6 | -75.2 | 178.2 | 57 | 0 | 0 | 111.7 | V116 R117 R120 L281 N282 R288 R289 I290 E292 | V116-M285 HydrophobicContact CG1-CG 3.68Å; V116-M285 HydrophobicContact CG1-SD 4Å; R117-M285 HydrophobicContact CG-CE 3.79Å; R117-M285 HydrophobicContact CG-SD 4.01Å; R120-M285 WeakPolarHBondContact CD-SD 3.26Å; L281-M285 PolarHBondContact O-N 3.23Å; N282-M285 WeakPolarHBondContact O-CA 3.5Å; N282-M285 WeakPolarHBondContact O-CB 3.46Å; N282-M285 PolarHBondContact O-N 3.38Å; M285-R288 CarbonylContact O-C 3.53Å; M285-R288 PolarHBondContact O-N 2.77Å; M285-R289 WeakPolarHBondContact O-CA 3.16Å; M285-R289 PolarHBondContact O-N 2.95Å; M285-I290 HydrophobicContact CB-CB 4.2Å; M285-I290 HydrophobicContact CE-CG2 4.22Å; M285-I290 WeakPolarHBondContact CE-O 3.42Å; M285-I290 HydrophobicContact CG-CB 4.12Å; M285-I290 HydrophobicContact CG-CG2 4.18Å; M285-I290 PolarHBondContact O-N 2.87Å; M285-E292 HydrophobicContact CE-CG 4.2Å |
| 286 | E | 97 | Very high | 97.4 | Very high | 142 Ų | 142 | 62.6 Ų | 62.6 | 66% | 0.664 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.9 | -51.6 | 175.1 | -69 | 159.5 | -155.4 | 0 | 0 | 111 | N282 R288 R289 | N282-E286 WeakPolarHBondContact O-CG 3.43Å; N282-E286 PolarHBondContact O-N 2.7Å; E286-R288 PolarHBondContact O-N 3.36Å; E286-R289 PolarHBondContact O-N 3.03Å |
| 287 | R | 97 | Very high | 97.3 | Very high | 102 Ų | 102 | 59.6 Ų | 59.6 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -24.1 | 179.8 | -174.7 | 172.4 | 68.5 | 76.3 | -8.3 | 114 | R254 E255 A283 Y284 | R254-R287 VanDerWaalsContact NH2-CD 3.26Å; E255-R287 VanDerWaalsContact CD-NH2 3.26Å; E255-R287 IonicContact OE1-CZ 3.65Å; E255-R287 VanDerWaalsContact OE1-CZ 3.26Å; E255-R287 IonicContact OE1-NE 2.72Å; E255-R287 PolarHBondContact OE1-NE 3.12Å; E255-R287 IonicContact OE1-NH2 2.66Å; E255-R287 PolarHBondContact OE1-NH2 3.48Å; E255-R287 IonicContact OE2-CZ 3.29Å; E255-R287 IonicContact OE2-NE 3.85Å; E255-R287 IonicContact OE2-NH2 2.66Å; E255-R287 PolarHBondContact OE2-NH2 3.27Å; A283-R287 WeakPolarHBondContact O-CB 3.35Å; A283-R287 PolarHBondContact O-N 2.93Å; A283-R287 VanDerWaalsContact O-N 3.15Å; Y284-R287 PolarHBondContact O-N 3.44Å |
| 288 | R | 97 | Very high | 97.2 | Very high | 160 Ų | 160 | 62.7 Ų | 62.7 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -105.3 | 3.1 | 175.3 | -75.5 | -59.8 | -154 | -179.1 | 4.5 | 114.1 | Y284 M285 E286 I290 | Y284-R288 HydrophobicContact CD2-CG 4.29Å; Y284-R288 HydrophobicContact CE1-CB 4.44Å; Y284-R288 HydrophobicContact CE1-CG 4.08Å; Y284-R288 HydrophobicContact CE2-CG 3.71Å; Y284-R288 WeakPolarHBondContact O-CB 3.45Å; Y284-R288 PolarHBondContact O-N 3.32Å; M285-R288 CarbonylContact O-C 3.53Å; M285-R288 PolarHBondContact O-N 2.77Å; E286-R288 PolarHBondContact O-N 3.36Å; R288-I290 HydrophobicContact CB-CD1 3.64Å; R288-I290 HydrophobicContact CB-CG1 3.85Å; R288-I290 HydrophobicContact CG-CD1 4.45Å; R288-I290 PolarHBondContact O-N 3.01Å |
| 289 | R | 97.2 | Very high | 97 | Very high | 217 Ų | 217 | 64.8 Ų | 64.8 | 82% | 0.819 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.4 | -175.1 | -54.8 | -179.4 | -178.7 | 173.1 | 0.5 | 113.6 | M285 E286 N291 | M285-R289 WeakPolarHBondContact O-CA 3.16Å; M285-R289 PolarHBondContact O-N 2.95Å; E286-R289 PolarHBondContact O-N 3.03Å; R289-N291 PolarHBondContact O-ND2 3.18Å |
| 290 | I | 97.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 66.9 Ų | 66.9 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | trans | -81.3 | 122.9 | 176.4 | -63.2 | 159.7 | 0 | 0 | 0 | 108.6 | S113 R117 Y284 M285 R288 D294 | S113-I290 WeakPolarHBondContact OG-CG2 3.43Å; R117-I290 HydrophobicContact CG-CG2 4.18Å; Y284-I290 HydrophobicContact CD1-CD1 3.95Å; Y284-I290 HydrophobicContact CE1-CD1 3.49Å; Y284-I290 VanDerWaalsContact CE1-CD1 3.49Å; M285-I290 HydrophobicContact CB-CB 4.2Å; M285-I290 HydrophobicContact CE-CG2 4.22Å; M285-I290 WeakPolarHBondContact CE-O 3.42Å; M285-I290 HydrophobicContact CG-CB 4.12Å; M285-I290 HydrophobicContact CG-CG2 4.18Å; M285-I290 PolarHBondContact O-N 2.87Å; R288-I290 HydrophobicContact CB-CD1 3.64Å; R288-I290 HydrophobicContact CB-CG1 3.85Å; R288-I290 HydrophobicContact CG-CD1 4.45Å; R288-I290 PolarHBondContact O-N 3.01Å; I290-D294 WeakPolarHBondContact CA-OD2 3.34Å | ||
| 291 | N | 96.7 | Very high | 95.1 | Very high | 83 Ų | 83 | 70.9 Ų | 70.9 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | trans | -103.7 | 149.6 | -178.2 | -42.5 | -83 | 0 | 0 | 0 | 110.4 | R117 R289 S293 D294 | R117-N291 WeakPolarHBondContact CD-O 3.36Å; R289-N291 PolarHBondContact O-ND2 3.18Å; N291-S293 VanDerWaalsContact CB-OG 3.28Å; N291-S293 WeakPolarHBondContact CB-OG 3.45Å; N291-S293 PolarHBondContact O-N 2.81Å; N291-S293 VanDerWaalsContact O-N 3.13Å; N291-D294 VanDerWaalsContact CB-OD1 3.32Å; N291-D294 WeakPolarHBondContact CB-OD1 3.35Å; N291-D294 VanDerWaalsContact N-CG 3.34Å; N291-D294 PolarHBondContact N-OD1 3.09Å; N291-D294 PolarHBondContact N-OD2 2.91Å; N291-D294 PolarHBondContact ND2-OD1 3.19Å; N291-D294 WeakPolarHBondContact O-CB 3.45Å; N291-D294 VanDerWaalsContact O-CG 3.23Å; N291-D294 PolarHBondContact O-N 2.87Å | ||
| 292 | E | 94.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.5 | 172.2 | -62.9 | -74.7 | -153.9 | 0 | 0 | 112.3 | R117 R120 M285 | R117-E292 WeakPolarHBondContact CG-OE2 3.35Å; R120-E292 IonicContact CZ-OE1 3.65Å; R120-E292 IonicContact NE-OE1 3.51Å; R120-E292 PolarHBondContact NE-OE1 2.85Å; R120-E292 IonicContact NH2-OE1 3.38Å; R120-E292 PolarHBondContact NH2-OE1 3.25Å; M285-E292 HydrophobicContact CE-CG 4.2Å |
| 293 | S | 95.9 | Very high | 90.5 | Very high | 84 Ų | 84 | 82 Ų | 82 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -27.1 | 174.2 | 47.5 | 0 | 0 | 0 | 0 | 114.1 | R158 N291 | R158-S293 PolarHBondContact NH1-O 3.49Å; R158-S293 PolarHBondContact NH2-O 3.33Å; R158-S293 VanDerWaalsContact NH2-O 3.15Å; N291-S293 VanDerWaalsContact CB-OG 3.28Å; N291-S293 WeakPolarHBondContact CB-OG 3.45Å; N291-S293 PolarHBondContact O-N 2.81Å; N291-S293 VanDerWaalsContact O-N 3.13Å |
| 294 | D | 96.6 | Very high | 87.7 | Confident | 38 Ų | 38 | 85.4 Ų | 85.4 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -51.2 | 145.3 | -173.9 | -64.5 | -9.1 | 0 | 0 | 0 | 111.8 | R117 R158 I290 N291 F296 | R117-D294 PolarHBondContact NH1-O 2.86Å; R158-D294 PolarHBondContact NH2-O 2.82Å; I290-D294 WeakPolarHBondContact CA-OD2 3.34Å; N291-D294 VanDerWaalsContact CB-OD1 3.32Å; N291-D294 WeakPolarHBondContact CB-OD1 3.35Å; N291-D294 VanDerWaalsContact N-CG 3.34Å; N291-D294 PolarHBondContact N-OD1 3.09Å; N291-D294 PolarHBondContact N-OD2 2.91Å; N291-D294 PolarHBondContact ND2-OD1 3.19Å; N291-D294 WeakPolarHBondContact O-CB 3.45Å; N291-D294 VanDerWaalsContact O-CG 3.23Å; N291-D294 PolarHBondContact O-N 2.87Å; D294-F296 PolarHBondContact O-N 2.98Å |
| 295 | P | 96.9 | Very high | 84.6 | Confident | 75 Ų | 75 | 90.2 Ų | 90.2 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 140.8 | 176.1 | 25.5 | -33.8 | 0 | 0 | 0 | 111.3 | R117 E299 I300 | R117-P295 PolarHBondContact NH2-O 3.08Å; P295-E299 WeakPolarHBondContact CA-OE2 3.46Å; P295-E299 HydrophobicContact CB-CB 4.24Å; P295-I300 HydrophobicContact CB-CG1 4.13Å; P295-I300 HydrophobicContact CG-CG1 4.38Å |
| 296 | F | 97.3 | Very high | 81.7 | Confident | 2 Ų | 2 | 95.1 Ų | 95.1 | 1% | 0.009 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 159.8 | 163 | -71.4 | -71.4 | 0 | 0 | 0 | 110.1 | T114 R117 L118 R158 D294 W298 E299 | T114-F296 HydrophobicContact CG2-CD1 3.95Å; T114-F296 WeakPolarHBondContact OG1-CA 3.41Å; R117-F296 HydrophobicContact CB-CE1 3.91Å; R117-F296 HydrophobicContact CB-CZ 4.27Å; L118-F296 HydrophobicContact CG-CE1 4.28Å; R158-F296 HydrophobicContact CB-CE2 4.19Å; D294-F296 PolarHBondContact O-N 2.98Å; F296-W298 HydrophobicContact CB-CD2 3.87Å; F296-W298 VanDerWaalsContact CB-CE2 3.4Å; F296-W298 HydrophobicContact CB-CE3 4.22Å; F296-W298 HydrophobicContact CB-CG 4.5Å; F296-W298 HydrophobicContact CB-CH2 3.78Å; F296-W298 HydrophobicContact CB-CZ2 3.37Å; F296-W298 HydrophobicContact CB-CZ3 4.19Å; F296-W298 AromaticContact CD1-CH2 3.7Å; F296-W298 HydrophobicContact CD1-CH2 3.7Å; F296-W298 AromaticContact CD1-CZ2 3.82Å; F296-W298 HydrophobicContact CD1-CZ2 3.82Å; F296-W298 HydrophobicContact CD1-CZ3 4.49Å; F296-W298 HydrophobicContact CD2-CH2 4.44Å; F296-W298 AromaticContact CD2-CZ2 3.73Å; F296-W298 HydrophobicContact CD2-CZ2 3.73Å; F296-W298 HydrophobicContact CE1-CH2 4.34Å; F296-W298 HydrophobicContact CE1-CZ2 4.5Å; F296-W298 HydrophobicContact CE2-CZ2 4.42Å; F296-W298 AromaticContact CG-CE2 3.93Å; F296-W298 AromaticContact CG-CH2 3.74Å; F296-W298 HydrophobicContact CG-CH2 3.74Å; F296-W298 AromaticContact CG-CZ2 3.38Å; F296-W298 HydrophobicContact CG-CZ2 3.38Å; F296-W298 PolarHBondContact O-N 2.92Å; F296-E299 HydrophobicContact CB-CG 4.16Å; F296-E299 PolarHBondContact N-OE2 2.84Å; F296-E299 WeakPolarHBondContact O-CA 3.13Å; F296-E299 WeakPolarHBondContact O-CB 3.3Å; F296-E299 PolarHBondContact O-N 2.8Å |
| 297 | D | 97 | Very high | 79 | Confident | 31 Ų | 31 | 95 Ų | 95 | 17% | 0.166 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.7 | -171.2 | -53.3 | -17.6 | 0 | 0 | 0 | 114.1 | F110 T111 T114 | F110-D297 WeakPolarHBondContact CA-OD2 3.42Å; F110-D297 VanDerWaalsContact CB-OD2 3.3Å; F110-D297 WeakPolarHBondContact CB-OD2 3.37Å; F110-D297 HydrophobicContact CD1-CB 4.43Å; F110-D297 WeakPolarHBondContact CD1-OD2 3.22Å; T111-D297 WeakPolarHBondContact CB-OD1 3.41Å; T111-D297 WeakPolarHBondContact CG2-OD1 3.33Å; T111-D297 PolarHBondContact N-OD2 3.14Å; T111-D297 PolarHBondContact OG1-OD1 2.81Å; T114-D297 WeakPolarHBondContact CB-OD1 3.17Å; T114-D297 WeakPolarHBondContact CB-OD2 3.45Å; T114-D297 PolarHBondContact OG1-N 3.48Å; T114-D297 VanDerWaalsContact OG1-N 3.1Å; T114-D297 PolarHBondContact OG1-OD1 3.17Å; T114-D297 PolarHBondContact OG1-OD2 2.77Å |
| 298 | W | 95.2 | Very high | 76.2 | Confident | 65 Ų | 65 | 95.4 Ų | 95.4 | 25% | 0.246 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.1 | 176.1 | 58.2 | 77.1 | 0 | 0 | 0 | 114 | L101 F110 T114 L118 L146 F296 | L101-W298 HydrophobicContact CB-CE3 4.11Å; L101-W298 HydrophobicContact CB-CZ3 4.49Å; L101-W298 HydrophobicContact CD1-CD2 4.34Å; L101-W298 HydrophobicContact CD1-CE3 4.33Å; L101-W298 HydrophobicContact CD1-CZ3 4.45Å; L101-W298 HydrophobicContact CD2-CB 4.05Å; L101-W298 HydrophobicContact CD2-CD2 3.99Å; L101-W298 HydrophobicContact CD2-CE3 4.27Å; L101-W298 HydrophobicContact CD2-CG 3.88Å; L101-W298 HydrophobicContact CG-CE3 4.47Å; F110-W298 HydrophobicContact CD1-CZ3 4.33Å; F110-W298 AromaticContact CE1-CE3 3.84Å; F110-W298 HydrophobicContact CE1-CE3 3.84Å; F110-W298 AromaticContact CE1-CZ3 3.69Å; F110-W298 HydrophobicContact CE1-CZ3 3.69Å; F110-W298 HydrophobicContact CZ-CE3 4.3Å; F110-W298 AromaticContact CZ-CZ3 3.83Å; F110-W298 HydrophobicContact CZ-CZ3 3.83Å; T114-W298 HydrophobicContact CG2-CH2 4.08Å; T114-W298 HydrophobicContact CG2-CZ3 3.68Å; L118-W298 HydrophobicContact CD1-CH2 4.06Å; L118-W298 HydrophobicContact CD1-CZ3 4.27Å; L118-W298 HydrophobicContact CD2-CH2 4.18Å; L118-W298 HydrophobicContact CG-CH2 4.39Å; L146-W298 HydrophobicContact CD1-CZ2 3.91Å; L146-W298 HydrophobicContact CD2-CZ2 3.83Å; L146-W298 HydrophobicContact CG-CZ2 4.42Å; F296-W298 HydrophobicContact CB-CD2 3.87Å; F296-W298 VanDerWaalsContact CB-CE2 3.4Å; F296-W298 HydrophobicContact CB-CE3 4.22Å; F296-W298 HydrophobicContact CB-CG 4.5Å; F296-W298 HydrophobicContact CB-CH2 3.78Å; F296-W298 HydrophobicContact CB-CZ2 3.37Å; F296-W298 HydrophobicContact CB-CZ3 4.19Å; F296-W298 AromaticContact CD1-CH2 3.7Å; F296-W298 HydrophobicContact CD1-CH2 3.7Å; F296-W298 AromaticContact CD1-CZ2 3.82Å; F296-W298 HydrophobicContact CD1-CZ2 3.82Å; F296-W298 HydrophobicContact CD1-CZ3 4.49Å; F296-W298 HydrophobicContact CD2-CH2 4.44Å; F296-W298 AromaticContact CD2-CZ2 3.73Å; F296-W298 HydrophobicContact CD2-CZ2 3.73Å; F296-W298 HydrophobicContact CE1-CH2 4.34Å; F296-W298 HydrophobicContact CE1-CZ2 4.5Å; F296-W298 HydrophobicContact CE2-CZ2 4.42Å; F296-W298 AromaticContact CG-CE2 3.93Å; F296-W298 AromaticContact CG-CH2 3.74Å; F296-W298 HydrophobicContact CG-CH2 3.74Å; F296-W298 AromaticContact CG-CZ2 3.38Å; F296-W298 HydrophobicContact CG-CZ2 3.38Å; F296-W298 PolarHBondContact O-N 2.92Å |
| 299 | E | 95.3 | Very high | 73.2 | Confident | 65 Ų | 65 | 91 Ų | 91 | 30% | 0.304 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.2 | 174.4 | -59.3 | 175 | 153 | 0 | 0 | 111.7 | R158 P295 F296 T301 | R158-E299 IonicContact CZ-OE1 3.28Å; R158-E299 IonicContact CZ-OE2 2.67Å; R158-E299 IonicContact NE-OE1 2.69Å; R158-E299 PolarHBondContact NE-OE1 3.35Å; R158-E299 IonicContact NE-OE2 3.68Å; R158-E299 PolarHBondContact NE-OE2 3.29Å; R158-E299 IonicContact NH2-OE1 3.16Å; R158-E299 IonicContact NH2-OE2 3.43Å; R158-E299 PolarHBondContact NH2-OE2 3.37Å; P295-E299 WeakPolarHBondContact CA-OE2 3.46Å; P295-E299 HydrophobicContact CB-CB 4.24Å; F296-E299 HydrophobicContact CB-CG 4.16Å; F296-E299 PolarHBondContact N-OE2 2.84Å; F296-E299 WeakPolarHBondContact O-CA 3.13Å; F296-E299 WeakPolarHBondContact O-CB 3.3Å; F296-E299 PolarHBondContact O-N 2.8Å; E299-T301 PolarHBondContact O-N 3.44Å; E299-T301 VanDerWaalsContact O-N 3.16Å |
| 300 | I | 89.5 | Confident | 70.4 | Confident | 102 Ų | 102 | 84.6 Ų | 84.6 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | trans | -83.9 | 88.3 | -178.3 | -53.3 | 174.8 | 0 | 0 | 0 | 110.4 | P295 | P295-I300 HydrophobicContact CB-CG1 4.13Å; P295-I300 HydrophobicContact CG-CG1 4.38Å | ||
| 301 | T | 68.3 | Low | 67.5 | Low | 105 Ų | 105 | 88.4 Ų | 88.4 | 64% | 0.644 | 54% | 0.535 | S | S | * | . | trans | -64.4 | 131.9 | 167.7 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | E299 E303 | E299-T301 PolarHBondContact O-N 3.44Å; E299-T301 VanDerWaalsContact O-N 3.16Å; T301-E303 HydrophobicContact CG2-CB 4.34Å; T301-E303 HydrophobicContact CG2-CG 4.07Å; T301-E303 PolarHBondContact O-N 3.26Å | ||
| 302 | T | 56 | Low | 64.8 | Low | 108 Ų | 108 | 90.9 Ų | 90.9 | 66% | 0.663 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -81.3 | 55.1 | -178.6 | 50 | 0 | 0 | 0 | 0 | 113.2 | ||
| 303 | E | 42 | Very low | 62.1 | Low | 174 Ų | 174 | 89.7 Ų | 89.7 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | trans | -113.9 | 41.9 | 175.2 | -74.6 | -175.2 | -157.7 | 0 | 0 | 112.1 | T301 | T301-E303 HydrophobicContact CG2-CB 4.34Å; T301-E303 HydrophobicContact CG2-CG 4.07Å; T301-E303 PolarHBondContact O-N 3.26Å | ||
| 304 | S | 39.6 | Very low | 59.4 | Low | 111 Ų | 111 | 88.7 Ų | 88.7 | 78% | 0.776 | 53% | 0.531 | S | S | * | . | trans | -89.8 | 108.6 | 160.5 | 43.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 305 | T | 32.4 | Very low | 56.5 | Low | 116 Ų | 116 | 90.6 Ų | 90.6 | 71% | 0.712 | 54% | 0.538 | S | S | * | . | trans | -59.6 | 149.5 | 176 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | V307 | T305-V307 PolarHBondContact O-N 3Š| ||
| 306 | P | 35.7 | Very low | 53.8 | Low | 116 Ų | 116 | 94.4 Ų | 94.4 | 75% | 0.753 | 55% | 0.549 | S | S | * | . | trans | -60.8 | 122.8 | 172.8 | 26.8 | -34 | 0 | 0 | 0 | 109.8 | S308 | P306-S308 PolarHBondContact O-N 3.15Š| ||
| 307 | V | 40.4 | Very low | 51.1 | Low | 141 Ų | 141 | 103.1 Ų | 103.1 | 86% | 0.855 | 59% | 0.59 | S | S | * | * | trans | -71.6 | 92.2 | -171.9 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | T305 G309 | T305-V307 PolarHBondContact O-N 3Å; V307-G309 VanDerWaalsContact C-N 3.26Å; V307-G309 PolarHBondContact O-N 3.09Å | ||
| 308 | S | 39 | Very low | 48 | Very low | 110 Ų | 110 | 107.5 Ų | 107.5 | 77% | 0.769 | 62% | 0.617 | S | S | * | * | trans | -73.4 | 85.2 | 167.6 | -64 | 0 | 0 | 0 | 0 | 108.5 | P306 A310 | P306-S308 PolarHBondContact O-N 3.15Å; S308-A310 PolarHBondContact O-N 2.86Å | ||
| 309 | G | 34.9 | Very low | 45.3 | Very low | 68 Ų | 68 | 110.1 Ų | 110.1 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -68 | 69.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V307 N311 | V307-G309 VanDerWaalsContact C-N 3.26Å; V307-G309 PolarHBondContact O-N 3.09Å; G309-N311 PolarHBondContact O-N 3.09Å | ||
| 310 | A | 38.5 | Very low | 42.6 | Very low | 81 Ų | 81 | 114.8 Ų | 114.8 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | trans | -77.2 | 104.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | S308 | S308-A310 PolarHBondContact O-N 2.86Š| ||
| 311 | N | 35.8 | Very low | 40.2 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 55% | 0.545 | 68% | 0.676 | S | S | . | * | 45.2 | 110.2 | 119.5 | -70.7 | -5.9 | 0 | 0 | 0 | 118.1 | G309 F947 N948 | G309-N311 PolarHBondContact O-N 3.09Å; N311-F947 HydrophobicContact CB-CB 3.81Å; N311-F947 WeakPolarHBondContact CB-O 3.19Å; N311-F947 CarbonylContact O-C 3.57Å; N311-F947 VanDerWaalsContact O-O 3.07Å; N311-N948 PolarHBondContact O-N 3.36Å | |||
| 312 | E | 40.4 | Very low | 38.8 | Very low | 135 Ų | 135 | 116.3 Ų | 116.3 | 63% | 0.631 | 68% | 0.679 | S | S | * | * | trans | -139.2 | 50.7 | -177.4 | -168.3 | -142.3 | -122.2 | 0 | 0 | 117.4 | K946 N948 | E312-K946 VanDerWaalsContact O-CE 3.27Å; E312-K946 WeakPolarHBondContact O-CE 3.4Å; E312-K946 PolarHBondContact O-NZ 2.72Å; E312-K946 WeakPolarHBondContact OE2-CE 3.41Å; E312-K946 IonicContact OE2-NZ 2.68Å; E312-K946 PolarHBondContact OE2-NZ 3.3Å; E312-N948 VanDerWaalsContact CA-N 3.32Å | ||
| 313 | T | 37.6 | Very low | 37.7 | Very low | 54 Ų | 54 | 118.7 Ų | 118.7 | 33% | 0.331 | 69% | 0.686 | S | S | . | * | trans | 161.4 | 143.9 | 165.3 | 35.7 | 0 | 0 | 0 | 0 | 106.1 | W945 K946 F947 N948 | T313-W945 WeakPolarHBondContact O-CB 3.37Å; T313-K946 CarbonylContact O-C 3.56Å; T313-K946 WeakPolarHBondContact O-CA 3.49Å; T313-K946 VanDerWaalsContact O-CB 3.3Å; T313-K946 WeakPolarHBondContact O-CB 3.22Å; T313-F947 WeakPolarHBondContact O-CA 3.41Å; T313-F947 PolarHBondContact O-N 3.01Å; T313-N948 VanDerWaalsContact N-N 3.11Å | ||
| 314 | N | 38.5 | Very low | 37.3 | Very low | 64 Ų | 64 | 116.3 Ų | 116.3 | 34% | 0.342 | 68% | 0.683 | S | S | . | * | -171.9 | 167 | 56.1 | -176.3 | 38.9 | 0 | 0 | 0 | 109 | W945 F947 | N314-W945 HydrophobicContact CB-CB 4.44Å; N314-W945 HydrophobicContact CB-CD2 4.38Å; N314-W945 HydrophobicContact CB-CG 3.83Å; N314-W945 PolarHBondContact ND2-NE1 3.31Å; N314-F947 WeakPolarHBondContact O-CE2 3.35Å; N314-F947 VanDerWaalsContact O-CZ 3.23Å; N314-F947 WeakPolarHBondContact O-CZ 3.46Å | |||
| 315 | Q | 36.1 | Very low | 37.1 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 36% | 0.364 | 68% | 0.678 | S | S | . | * | trans | -148.9 | -173.7 | 172.9 | -81 | 179 | 0.2 | 0 | 0 | 109.8 | F947 | Q315-F947 HydrophobicContact CG-CZ 4.08Š| ||
| 316 | H | 41.4 | Very low | 37.4 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | trans | 87.8 | 89 | 169.6 | -50.8 | -71 | 0 | 0 | 0 | 118.3 | ||||
| 317 | H | 39.3 | Very low | 37.2 | Very low | 186 Ų | 186 | 122.1 Ų | 122.1 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | -154.1 | 170.5 | 83.8 | -105.7 | 71.9 | 0 | 0 | 0 | 112.6 | |||||
| 318 | T | 32.9 | Very low | 36.8 | Very low | 122 Ų | 122 | 120 Ų | 120 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -146.2 | 130.7 | -167.7 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 319 | T | 37.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | trans | -149.6 | 120 | 160.5 | 15.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 320 | Q | 39.6 | Very low | 36.3 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | 61.6 | 128.9 | 89.7 | -64 | -179.3 | 21.1 | 0 | 0 | 112.8 | |||||
| 321 | T | 37.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 70% | 0.697 | S | S | * | * | cis | -159.8 | 174.4 | 4.4 | 6.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 322 | P | 39.9 | Very low | 35.7 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -106 | 177.4 | -162.2 | 42 | -39.2 | 0 | 0 | 0 | 116.4 | ||||
| 323 | I | 33.4 | Very low | 35.4 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | trans | -174.7 | 109.9 | 145.2 | -96.5 | 149.2 | 0 | 0 | 0 | 107.5 | ||||
| 324 | V | 33.5 | Very low | 35 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | 62.9 | 119.1 | 87.1 | 177.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 325 | T | 34.6 | Very low | 34.7 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | 174 | 140.1 | 133.8 | -77.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 326 | Q | 38.5 | Very low | 34.6 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 61.5 | 164.3 | 164.7 | -75.2 | 160.8 | 25.9 | 0 | 0 | 120.9 | ||||
| 327 | Q | 32.2 | Very low | 34.3 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | -179.7 | 160.8 | -66.7 | -102.7 | -178.7 | 0 | 0 | 0 | 111.9 | |||||
| 328 | A | 31.4 | Very low | 34 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 79.9 | 159 | 151.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 329 | A | 34.1 | Very low | 34.1 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 55.4 | 117.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 330 | Q | 30.6 | Very low | 33.8 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | cis | 80.6 | 111.5 | 29.2 | -60 | -163.6 | -6.1 | 0 | 0 | 118 | ||||
| 331 | V | 27.3 | Very low | 33.3 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 57.9 | 112.8 | 137.7 | -172.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 332 | T | 33.4 | Very low | 33.1 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | -140.9 | 120.5 | 142.8 | 28.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 333 | V | 33.3 | Very low | 32.6 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | 61.7 | 104.2 | 89.7 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 334 | A | 30 | Very low | 32.4 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | cis | 96 | 133 | 33.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 335 | G | 33.4 | Very low | 32.3 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 143.5 | 144.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 336 | A | 33 | Very low | 32 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | cis | -160.6 | 161.4 | -16.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 337 | Q | 35.2 | Very low | 31.6 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | 68.5 | 137 | 172.2 | -50.8 | 171.5 | -1 | 0 | 0 | 115.8 | ||||
| 338 | G | 32.7 | Very low | 31.8 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | -179.4 | 157.2 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 339 | T | 34.2 | Very low | 32.1 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 58.3 | 105.9 | 156.3 | 57.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 340 | L | 31.6 | Very low | 32.4 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | 76.1 | 118.2 | 91.4 | -69.6 | 166.7 | 0 | 0 | 0 | 112.7 | |||||
| 341 | D | 29.6 | Very low | 32.7 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 84.7 | 173.2 | 46.6 | -165.5 | 27.3 | 0 | 0 | 0 | 113.5 | ||||
| 342 | V | 34.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 89.9 | 69 | -177.1 | -163.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 343 | S | 27.8 | Very low | 33.3 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | 2.9 | 159.7 | 126.6 | -14.8 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 344 | K | 30.1 | Very low | 33.4 | Very low | 191 Ų | 191 | 129 Ų | 129 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | 92.4 | 154.3 | 148.1 | -67.9 | 163.1 | 179 | 171.2 | 0 | 120.2 | ||||
| 345 | L | 30.2 | Very low | 33.6 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | 69.4 | 158.7 | 169.3 | -85.8 | 66.1 | 0 | 0 | 0 | 118.2 | ||||
| 346 | R | 29.6 | Very low | 33.6 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -179.6 | 123.7 | -38.9 | 175.1 | -177.7 | -152.1 | -158 | 10.5 | 110 | ||||
| 347 | K | 30.6 | Very low | 33.7 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | 56.6 | 123.7 | 164.5 | -67.3 | -179.1 | 173.4 | -167.8 | 0 | 118.4 | ||||
| 348 | G | 35.5 | Very low | 34 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -176.9 | 137.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 349 | I | 38.3 | Very low | 34 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -139.9 | 150.9 | -174.3 | -62.6 | 170.6 | 0 | 0 | 0 | 107.2 | ||||
| 350 | P | 39.4 | Very low | 34.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -100.2 | -143.4 | -8.3 | 18.1 | 6.2 | 0 | 0 | 0 | 109.1 | ||||
| 351 | S | 37.3 | Very low | 34.1 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | -158.3 | 171.2 | 9.8 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 352 | G | 36 | Very low | 34.4 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 113.6 | 76.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 353 | V | 37 | Very low | 34.4 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 54.1 | 101.4 | 149 | -168.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 354 | D | 35.1 | Very low | 34.7 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 58.5 | 77 | 136.9 | -56.3 | -3.3 | 0 | 0 | 0 | 120.5 | ||||
| 355 | Q | 35.3 | Very low | 35 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 177.2 | 139 | -38.6 | 176.2 | 0.3 | 0 | 0 | 110.1 | ||||
| 356 | N | 32.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | cis | -159.2 | -176.3 | 5.1 | -143.1 | -37.5 | 0 | 0 | 0 | 112.4 | ||||
| 357 | R | 35.7 | Very low | 35.6 | Very low | 223 Ų | 223 | 122.6 Ų | 122.6 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -85.6 | -151.5 | 164.1 | -139.1 | -178.6 | 170.2 | -156.6 | -1.7 | 107.6 | ||||
| 358 | P | 40.8 | Very low | 35.9 | Very low | 97 Ų | 97 | 120 Ų | 120 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | cis | -143 | -172.6 | -17.2 | 30.9 | -5.6 | 0 | 0 | 0 | 117.2 | ||||
| 359 | N | 32.9 | Very low | 35.9 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | 106.9 | 164.3 | 126.4 | -139.6 | 9.5 | 0 | 0 | 0 | 122 | |||||
| 360 | V | 35.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 115.9 Ų | 115.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 76.7 | 137.9 | 171.9 | -164.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 361 | G | 32.4 | Very low | 35.4 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | 158.1 | 138.4 | -13.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 362 | A | 36.3 | Very low | 35.3 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 97% | 0.967 | 77% | 0.77 | S | S | * | * | trans | 61.9 | 157.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 363 | G | 33.6 | Very low | 35.2 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | cis | 175.7 | 171.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 364 | G | 33.5 | Very low | 35 | Very low | 64 Ų | 64 | 120.7 Ų | 120.7 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | 171.2 | 169.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 365 | T | 36.4 | Very low | 34.9 | Very low | 155 Ų | 155 | 119.7 Ų | 119.7 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | 66.9 | 152.8 | 176.4 | 69.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 366 | A | 36.9 | Very low | 34.7 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | cis | -163.1 | 165.8 | -21.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 367 | G | 35.6 | Very low | 34.6 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | cis | 179.2 | 178 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 368 | T | 36.2 | Very low | 34.4 | Very low | 142 Ų | 142 | 119 Ų | 119 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | 59 | 125.8 | 171.8 | 51.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 369 | S | 36.7 | Very low | 34 | Very low | 91 Ų | 91 | 117.8 Ų | 117.8 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | 80.1 | 135.8 | 26.9 | -158.8 | 0 | 0 | 0 | 0 | 114.8 | Y371 | S369-Y371 WeakPolarHBondContact OG-CE1 3.37Å; S369-Y371 PolarHBondContact OG-OH 2.76Å | ||
| 370 | G | 34.7 | Very low | 34.1 | Very low | 60 Ų | 60 | 116.3 Ų | 116.3 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | cis | -162.1 | -154.3 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 371 | Y | 32.8 | Very low | 33.9 | Very low | 185 Ų | 185 | 114.8 Ų | 114.8 | 73% | 0.725 | 79% | 0.788 | S | S | * | * | cis | -157.5 | 130.7 | 1.2 | -59.4 | -82.4 | 0 | 0 | 0 | 108.2 | S369 | S369-Y371 WeakPolarHBondContact OG-CE1 3.37Å; S369-Y371 PolarHBondContact OG-OH 2.76Å | ||
| 372 | I | 35.5 | Very low | 34.2 | Very low | 154 Ų | 154 | 117.2 Ų | 117.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | 60 | 111.7 | 91.5 | -54.5 | 172.3 | 0 | 0 | 0 | 117 | |||||
| 373 | S | 33.8 | Very low | 34.1 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | 160.4 | 155 | 138.8 | -74.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 374 | G | 33.1 | Very low | 34.2 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 163.6 | 66.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 375 | T | 31.9 | Very low | 34.2 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 39.1 | 127.8 | 151.7 | 56.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 376 | R | 31.5 | Very low | 34 | Very low | 237 Ų | 237 | 126.4 Ų | 126.4 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | 175 | 135.2 | 135.5 | -91.3 | 150.5 | -162.2 | -122.1 | 5.4 | 108.3 | ||||
| 377 | L | 30.4 | Very low | 33.8 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | 77.6 | 100.7 | 51.2 | -75.3 | 175.8 | 0 | 0 | 0 | 115.7 | |||||
| 378 | A | 32.3 | Very low | 33.7 | Very low | 109 Ų | 109 | 126 Ų | 126 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | 165.4 | 155.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 379 | G | 31 | Very low | 34 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 81.7 | 137.3 | 170 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 380 | S | 34.5 | Very low | 33.7 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | cis | 73.2 | 140.5 | 25.5 | -56.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 381 | S | 33.2 | Very low | 33.6 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -170 | 121.5 | -18.4 | -90.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | S | 38.2 | Very low | 33.5 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -165.3 | 111.7 | 164.6 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 383 | N | 34.8 | Very low | 33.5 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | 78.2 | 98.5 | 60.3 | -71.9 | -7.7 | 0 | 0 | 0 | 114.2 | |||||
| 384 | L | 34.8 | Very low | 33.2 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | 168.4 | 111 | 127.3 | -84.6 | 160.9 | 0 | 0 | 0 | 105.4 | |||||
| 385 | A | 34.3 | Very low | 33.2 | Very low | 80 Ų | 80 | 127 Ų | 127 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | 63.7 | 139 | 63 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 386 | F | 31.3 | Very low | 33.3 | Very low | 212 Ų | 212 | 124.7 Ų | 124.7 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | cis | -71.6 | 164.8 | -0.6 | -85.9 | -151.3 | 0 | 0 | 0 | 113.7 | ||||
| 387 | A | 34 | Very low | 33.2 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | 63.1 | 119 | -6.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 388 | G | 32 | Very low | 33.4 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -179.8 | -155.8 | 17.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 389 | P | 42.7 | Very low | 33.4 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -125.7 | -159.1 | -160.2 | 35.1 | -14.8 | 0 | 0 | 0 | 115 | ||||
| 390 | V | 30.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | 93.6 | 107.6 | 160.7 | -168.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 391 | A | 33.3 | Very low | 33.7 | Very low | 92 Ų | 92 | 117 Ų | 117 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | trans | -167.7 | 127.3 | 136.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 392 | T | 30.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 117.1 Ų | 117.1 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | 63.7 | 94.4 | 35 | -37.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 393 | T | 34 | Very low | 33.7 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | -169.7 | 124.6 | 91.2 | -63.6 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 394 | S | 28.5 | Very low | 33.7 | Very low | 87 Ų | 87 | 112.3 Ų | 112.3 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | 70 | 139.9 | 73.2 | 134.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 395 | M | 33.4 | Very low | 33.7 | Very low | 181 Ų | 181 | 111.2 Ų | 111.2 | 89% | 0.892 | 69% | 0.694 | S | S | * | * | trans | 68.9 | 153.1 | 178.9 | -49 | -141.4 | -175 | 0 | 0 | 115.2 | ||||
| 396 | A | 33.4 | Very low | 33.8 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | cis | -157.3 | 127 | -23.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 397 | N | 30.6 | Very low | 33.9 | Very low | 153 Ų | 153 | 108.5 Ų | 108.5 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | 75.1 | 150.7 | 84 | -159.5 | 15.5 | 0 | 0 | 0 | 113.8 | |||||
| 398 | V | 33.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | trans | 66.6 | 99.9 | -178.4 | -166.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 399 | G | 31.7 | Very low | 33.8 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | cis | 86.1 | 130.5 | 9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 400 | K | 35.2 | Very low | 33.3 | Very low | 161 Ų | 161 | 111.2 Ų | 111.2 | 70% | 0.7 | 70% | 0.7 | S | S | * | * | trans | -178 | 134.3 | 167.1 | -102 | 169.5 | -178.3 | 173 | 0 | 110.9 | S804 K805 | K400-S804 CarbonylContact C-O 3.59Å; K400-S804 VanDerWaalsContact CA-O 3.28Å; K400-S804 WeakPolarHBondContact CA-O 3.47Å; K400-S804 WeakPolarHBondContact CG-O 3.33Å; K400-K805 WeakPolarHBondContact CB-O 3.41Å; K400-K805 VanDerWaalsContact CD-O 3.28Å; K400-K805 WeakPolarHBondContact CD-O 3.5Å; K400-K805 WeakPolarHBondContact CG-O 3.44Å | ||
| 401 | S | 37.7 | Very low | 33.4 | Very low | 47 Ų | 47 | 110.6 Ų | 110.6 | 33% | 0.329 | 70% | 0.702 | S | S | . | * | B | Isolated β-bridge | trans | -95.5 | -124.4 | -171.7 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | D403 S804 K805 L806 | S401-D403 VanDerWaalsContact CB-OD1 3.27Å; S401-D403 WeakPolarHBondContact CB-OD1 3.23Å; S401-D403 PolarHBondContact OG-OD1 2.9Å; S401-D403 PolarHBondContact OG-OD2 3.2Å; S401-D403 VanDerWaalsContact OG-OD2 3.13Å; S401-S804 PolarHBondContact N-O 3.42Å; S401-S804 VanDerWaalsContact OG-CA 3.25Å; S401-S804 WeakPolarHBondContact OG-CA 3.43Å; S401-S804 PolarHBondContact OG-N 3Å; S401-K805 VanDerWaalsContact C-CA 3.46Å; S401-K805 CarbonylContact O-C 3.51Å; S401-K805 PolarHBondContact OG-N 3.41Å; S401-L806 CarbonylContact O-C 3.57Å; S401-L806 WeakPolarHBondContact O-CA 3.36Å; S401-L806 PolarHBondContact O-N 2.77Å; S401-L806 VanDerWaalsContact O-N 3.1Å |
| 402 | F | 36.2 | Very low | 33.5 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 47% | 0.474 | 71% | 0.708 | S | S | . | * | cis | -79.8 | 163.6 | 3.7 | -140.3 | -144.7 | 0 | 0 | 0 | 110.4 | K805 | F402-K805 HydrophobicContact CB-CG 4.09Å; F402-K805 HydrophobicContact CD2-CB 4.41Å; F402-K805 HydrophobicContact CD2-CD 3.55Å; F402-K805 HydrophobicContact CD2-CG 3.55Å; F402-K805 HydrophobicContact CE2-CD 3.64Å; F402-K805 HydrophobicContact CE2-CG 4.18Å; F402-K805 HydrophobicContact CG-CD 4.16Å; F402-K805 HydrophobicContact CG-CG 3.82Å; F402-K805 HydrophobicContact CZ-CD 4.25Å; F402-K805 VanDerWaalsContact CZ-CE 3.48Å | ||
| 403 | D | 34.7 | Very low | 33.6 | Very low | 78 Ų | 78 | 111.8 Ų | 111.8 | 42% | 0.417 | 71% | 0.705 | S | S | . | * | cis | 66.2 | 150 | 31.6 | -20.7 | -30.4 | 0 | 0 | 0 | 113.6 | S401 S804 | S401-D403 VanDerWaalsContact CB-OD1 3.27Å; S401-D403 WeakPolarHBondContact CB-OD1 3.23Å; S401-D403 PolarHBondContact OG-OD1 2.9Å; S401-D403 PolarHBondContact OG-OD2 3.2Å; S401-D403 VanDerWaalsContact OG-OD2 3.13Å; D403-S804 VanDerWaalsContact OD2-CA 3.29Å; D403-S804 WeakPolarHBondContact OD2-CA 3.46Å; D403-S804 PolarHBondContact OD2-N 3.17Å | ||
| 404 | A | 35 | Very low | 33.5 | Very low | 85 Ų | 85 | 111 Ų | 111 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | cis | -149.8 | -133.1 | -34.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 405 | I | 33.6 | Very low | 33.6 | Very low | 144 Ų | 144 | 108.9 Ų | 108.9 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | cis | -150.3 | 127.6 | 5.7 | -52.5 | 160.5 | 0 | 0 | 0 | 108.3 | ||||
| 406 | P | 36.5 | Very low | 33.4 | Very low | 114 Ų | 114 | 105.9 Ų | 105.9 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | trans | -104.9 | 147.3 | 166.5 | 36.6 | -30.2 | 0 | 0 | 0 | 112.9 | ||||
| 407 | C | 33.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 106.7 Ų | 106.7 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | trans | -171.8 | 168.2 | 167.9 | -95.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 408 | H | 32.8 | Very low | 33 | Very low | 188 Ų | 188 | 104 Ų | 104 | 87% | 0.87 | 67% | 0.665 | S | S | * | * | cis | 171.2 | 135.6 | -36 | -134.3 | -69.9 | 0 | 0 | 0 | 105.5 | ||||
| 409 | G | 32.3 | Very low | 32.7 | Very low | 79 Ų | 79 | 110.4 Ų | 110.4 | 81% | 0.814 | 68% | 0.677 | S | S | * | * | trans | 90.8 | 153.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 410 | G | 32.8 | Very low | 32.5 | Very low | 72 Ų | 72 | 112.8 Ų | 112.8 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | cis | 172.7 | 124.2 | -10.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 411 | S | 32.2 | Very low | 32.3 | Very low | 113 Ų | 113 | 108 Ų | 108 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | trans | 68.6 | 153 | 153.1 | -55.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 412 | N | 35 | Very low | 31.8 | Very low | 169 Ų | 169 | 112.3 Ų | 112.3 | 90% | 0.904 | 70% | 0.703 | S | S | * | * | trans | 71.6 | 140.7 | 172.7 | -46.2 | -20.6 | 0 | 0 | 0 | 115.8 | ||||
| 413 | G | 33.3 | Very low | 31.3 | Very low | 61 Ų | 61 | 113.4 Ų | 113.4 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | cis | 164.2 | 128.8 | -14.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 414 | S | 30.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 113.5 Ų | 113.5 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | 59.5 | 158.8 | 177.2 | 39.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 415 | A | 31.3 | Very low | 31 | Very low | 44 Ų | 44 | 116.5 Ų | 116.5 | 36% | 0.364 | 72% | 0.724 | S | S | . | * | cis | -155.2 | -161.1 | 18.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D657 | A415-D657 HydrophobicContact CB-CB 4.33Å; A415-D657 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 416 | L | 28.4 | Very low | 31.1 | Very low | 118 Ų | 118 | 116 Ų | 116 | 62% | 0.618 | 72% | 0.719 | S | S | * | * | trans | -108.3 | -144.9 | 168.4 | -57.4 | 173.7 | 0 | 0 | 0 | 109.2 | Y656 D657 A658 | L416-Y656 CarbonylContact O-C 3.59Å; L416-Y656 VanDerWaalsContact O-O 3.05Å; L416-D657 CarbonylContact C-O 3.51Å; L416-D657 CarbonylContact O-C 3.6Å; L416-D657 WeakPolarHBondContact O-CA 3.4Å; L416-D657 PolarHBondContact O-N 3.19Å; L416-A658 VanDerWaalsContact CB-O 3.22Å; L416-A658 WeakPolarHBondContact CB-O 3.26Å; L416-A658 VanDerWaalsContact CG-O 3.27Å; L416-A658 WeakPolarHBondContact CG-O 3.39Å; L416-A658 PolarHBondContact N-O 3.17Å; L416-A658 VanDerWaalsContact N-O 3.17Å | ||
| 417 | N | 28.5 | Very low | 30.9 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 55% | 0.551 | 72% | 0.718 | S | S | * | * | cis | -165.2 | 133.1 | 6.3 | -161.2 | 3.2 | 0 | 0 | 0 | 115.8 | D657 | N417-D657 WeakPolarHBondContact CB-O 3.4Å; N417-D657 PolarHBondContact N-O 3.23Å | ||
| 418 | S | 27.2 | Very low | 31 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | 66.3 | 159.2 | 148.9 | -75.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 419 | R | 28.1 | Very low | 30.8 | Very low | 247 Ų | 247 | 116.6 Ų | 116.6 | 93% | 0.932 | 70% | 0.703 | S | S | * | * | trans | 68.6 | 168.3 | 166.2 | -70.6 | 176.7 | 173.2 | 176.8 | -2.5 | 116.7 | ||||
| 420 | S | 28.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | cis | -178.9 | 155.5 | -35.6 | -172.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 421 | G | 29.9 | Very low | 30.8 | Very low | 59 Ų | 59 | 121 Ų | 121 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | trans | 106 | 126.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 422 | V | 26.9 | Very low | 30.5 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 84% | 0.836 | 70% | 0.696 | S | S | * | * | cis | 69.3 | 144.5 | 18.1 | -158.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 423 | V | 27.2 | Very low | 30.3 | Very low | 131 Ų | 131 | 122 Ų | 122 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | trans | 78.6 | 128.5 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 424 | S | 29 | Very low | 30.2 | Very low | 80 Ų | 80 | 126.3 Ų | 126.3 | 56% | 0.559 | 69% | 0.692 | S | S | * | * | cis | -167.2 | -172.6 | -12.9 | 53.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 425 | H | 34.4 | Very low | 30.1 | Very low | 148 Ų | 148 | 125 Ų | 125 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | cis | -166.2 | 154.1 | 43.4 | -99.5 | -56.3 | 0 | 0 | 0 | 112.1 | ||||
| 426 | H | 34.5 | Very low | 29.9 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 63% | 0.625 | 70% | 0.699 | S | S | * | * | trans | 65.6 | 146.6 | 154.3 | -63 | -28.1 | 0 | 0 | 0 | 117.5 | ||||
| 427 | R | 33.1 | Very low | 30.2 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | cis | -162.4 | 155.1 | -5.6 | -104.5 | 165.9 | -145.8 | -163.1 | 7.1 | 105.4 | ||||
| 428 | N | 34.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | cis | -154.5 | -168.5 | 4.4 | -149.5 | 47.4 | 0 | 0 | 0 | 110.8 | ||||
| 429 | T | 28.6 | Very low | 30.3 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 64% | 0.644 | 71% | 0.709 | S | S | * | * | trans | -57 | 170.9 | 158.1 | 17.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 430 | V | 33.7 | Very low | 30.5 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | cis | -149.9 | 161.5 | 24.1 | -118.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 431 | D | 31.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | 35.6 | 121.8 | 140 | -47.9 | -15 | 0 | 0 | 0 | 120.2 | ||||
| 432 | E | 26.3 | Very low | 30.8 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | 87.3 | 177 | 75.9 | -144.1 | -163.6 | -155.3 | 0 | 0 | 112.5 | |||||
| 433 | I | 30.6 | Very low | 31 | Very low | 129 Ų | 129 | 134 Ų | 134 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | trans | 71.9 | 116.6 | 164.7 | -68.7 | 171.4 | 0 | 0 | 0 | 117.7 | ||||
| 434 | L | 31.5 | Very low | 31.2 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | trans | 30.8 | 146.4 | 145.1 | -75.1 | 89.6 | 0 | 0 | 0 | 120.3 | ||||
| 435 | S | 27.7 | Very low | 31.2 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 53% | 0.531 | 70% | 0.703 | S | S | . | * | cis | 159.4 | 163 | -5.3 | 61.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 436 | N | 28.1 | Very low | 31.2 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | trans | 62.4 | 143.7 | 151.4 | -68.5 | -15.7 | 0 | 0 | 0 | 121 | ||||
| 437 | H | 34.8 | Very low | 31.4 | Very low | 167 Ų | 167 | 135 Ų | 135 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | 69 | 155.6 | 145.8 | -68.5 | -21.3 | 0 | 0 | 0 | 119.8 | ||||
| 438 | N | 28.3 | Very low | 31.4 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | cis | -167.9 | 158.5 | -35.7 | -160.8 | -0.8 | 0 | 0 | 0 | 106.4 | ||||
| 439 | S | 29.8 | Very low | 31.1 | Very low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | trans | 60.2 | 169.8 | 163 | 30 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 440 | Q | 31.7 | Very low | 31.2 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | cis | -158.1 | 148.7 | -24.2 | -112.6 | 165.3 | 25.9 | 0 | 0 | 106.8 | ||||
| 441 | Q | 30.9 | Very low | 31.1 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | trans | 65.8 | 165.3 | 146.7 | -65.9 | 169.7 | 28 | 0 | 0 | 116.2 | ||||
| 442 | Q | 32.8 | Very low | 31 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | cis | -144.8 | 158.8 | -8.4 | -130.7 | 173.9 | 89.2 | 0 | 0 | 110.4 | ||||
| 443 | Q | 31 | Very low | 31.5 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | 8.8 | 141.3 | 149.3 | -60 | 165.6 | 37.2 | 0 | 0 | 120.6 | ||||
| 444 | G | 32.9 | Very low | 31.5 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 74% | 0.743 | S | S | * | * | trans | -176.3 | 89.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 445 | N | 29.2 | Very low | 31.7 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -72.8 | 153.9 | 169.8 | -64 | -35.6 | 0 | 0 | 0 | 111.1 | ||||
| 446 | N | 33.7 | Very low | 31.9 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | 148 | 125.5 | 123.5 | -73.5 | -35.9 | 0 | 0 | 0 | 113.3 | |||||
| 447 | T | 38.3 | Very low | 32.3 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | -86.1 | 139.2 | 144.1 | 46 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 448 | P | 33.6 | Very low | 32.2 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | -153.4 | 130.7 | 117.7 | 34.1 | -14.8 | 0 | 0 | 0 | 116.9 | |||||
| 449 | R | 28.4 | Very low | 32.5 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | 41.7 | 136.2 | 116.2 | -139.6 | -176 | -174.7 | -171.7 | 2.9 | 121.4 | |||||
| 450 | K | 29.7 | Very low | 33.1 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 82.5 | 159.9 | 165 | -46.9 | -176.7 | 178.8 | 176.6 | 0 | 114.7 | ||||
| 451 | S | 31.6 | Very low | 33.2 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | cis | -150.4 | 150.6 | 19.5 | -50.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 452 | F | 30 | Very low | 33.6 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | 11.3 | 135.9 | 151 | -55.9 | -70.3 | 0 | 0 | 0 | 123.8 | ||||
| 453 | S | 36.9 | Very low | 33.9 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | 172.8 | 176.4 | 110.6 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 454 | N | 31.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -155.3 | 148 | -70 | -165.1 | 16.4 | 0 | 0 | 0 | 111.5 | |||||
| 455 | A | 34.9 | Very low | 34.7 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 55.4 | 147.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 456 | G | 32.6 | Very low | 35.2 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 139.3 | 113.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 457 | A | 35.9 | Very low | 35.1 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | 49.2 | 131.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 458 | R | 33.5 | Very low | 35 | Very low | 239 Ų | 239 | 144 Ų | 144 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | 56.1 | 135 | 66.6 | -73.1 | -174 | 173.9 | -176.9 | -1.8 | 114.5 | |||||
| 459 | S | 34.6 | Very low | 34.9 | Very low | 85 Ų | 85 | 142.7 Ų | 142.7 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | cis | -163.4 | 150.3 | -15.2 | 35.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 460 | H | 40.6 | Very low | 35.2 | Very low | 180 Ų | 180 | 141 Ų | 141 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | -177.6 | 170.1 | 87.1 | -93.9 | -85.2 | 0 | 0 | 0 | 113.1 | |||||
| 461 | R | 34.6 | Very low | 35.2 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -131.4 | 179.1 | 172.9 | -119.7 | -172.7 | -177.8 | -167.3 | 3.6 | 108.4 | ||||
| 462 | P | 39.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -88.6 | -152.5 | 23.4 | 39.6 | -41.5 | 0 | 0 | 0 | 113.7 | ||||
| 463 | A | 39.4 | Very low | 35.4 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | cis | -149.9 | 168 | 9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 464 | T | 39.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | cis | 85.5 | 118.1 | 12.8 | 70.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 465 | T | 41.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -174.9 | 172 | -5.2 | 12.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 466 | P | 39.5 | Very low | 35.2 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | cis | -127.1 | 157.8 | -31.5 | 37.4 | -22.7 | 0 | 0 | 0 | 112.8 | ||||
| 467 | R | 31.1 | Very low | 35.2 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -108.5 | 135 | 163.4 | -166.9 | 178.2 | -171.8 | 173.5 | 2.5 | 107.8 | V469 | R467-V469 HydrophobicContact CB-CG2 4.11Å; R467-V469 HydrophobicContact CG-CG2 4Å | ||
| 468 | L | 35.1 | Very low | 35.1 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -80.7 | 127.9 | 167.9 | -105.7 | 167.2 | 0 | 0 | 0 | 109.2 | ||||
| 469 | V | 33 | Very low | 35.1 | Very low | 82 Ų | 82 | 146.2 Ų | 146.2 | 50% | 0.497 | 80% | 0.8 | S | S | . | * | trans | -144.6 | 137.1 | -169.5 | -170.5 | 0 | 0 | 0 | 0 | 106.1 | R467 | R467-V469 HydrophobicContact CB-CG2 4.11Å; R467-V469 HydrophobicContact CG-CG2 4Å | ||
| 470 | K | 33.3 | Very low | 35.2 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | 163.9 | 141.9 | 102.8 | -118.8 | 119.6 | 171.9 | -166.7 | 0 | 105.7 | |||||
| 471 | E | 29.7 | Very low | 34.8 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | cis | 69.4 | 150.7 | 10.7 | -150.9 | 172.1 | -127.8 | 0 | 0 | 117.1 | ||||
| 472 | A | 32.7 | Very low | 34.8 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 68 | 126.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 473 | G | 33.2 | Very low | 34.8 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 175.1 | 40.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 474 | A | 31.2 | Very low | 34.6 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -146.9 | 161.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 475 | A | 34.5 | Very low | 34.4 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 70.4 | 94.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 476 | R | 34.8 | Very low | 34 | Very low | 261 Ų | 261 | 142.8 Ų | 142.8 | 99% | 0.985 | 81% | 0.808 | S | S | * | * | -152.9 | 152 | 118.8 | -113.1 | 177.3 | -175.1 | 173.5 | 2.3 | 110.5 | |||||
| 477 | A | 32.2 | Very low | 33.6 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -155.3 | 167.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 478 | R | 33 | Very low | 33.6 | Very low | 239 Ų | 239 | 141.3 Ų | 141.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 89.1 | 153.2 | 175.7 | -60.8 | -175.6 | 168.4 | 159.6 | -1.8 | 117.1 | ||||
| 479 | E | 33.9 | Very low | 33.3 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | 67 | 129.2 | -177 | -59.3 | -170.8 | 140.8 | 0 | 0 | 115.3 | ||||
| 480 | A | 36 | Very low | 33.3 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | cis | -143.4 | 165.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 481 | A | 33.1 | Very low | 33.1 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -111.9 | 159.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 482 | S | 34.5 | Very low | 33.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 63.9 | 111.8 | 169.2 | -57 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 483 | K | 38.9 | Very low | 33.5 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | -170.3 | 150.3 | 97.3 | -99.5 | 175.9 | 179.3 | -173.6 | 0 | 113.7 | |||||
| 484 | D | 36.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | 41.6 | 110.4 | 141.6 | -44 | -27.4 | 0 | 0 | 0 | 118.2 | ||||
| 485 | V | 34.6 | Very low | 34.2 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | 84.8 | 145.3 | 64.1 | 170.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 486 | T | 33.6 | Very low | 34.3 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 73.8 | 106 | 171.6 | 31.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 487 | K | 30.9 | Very low | 34.5 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | 59 | 127.9 | 116.4 | -78 | -174 | 173.3 | -176.2 | 0 | 121.9 | |||||
| 488 | I | 30.7 | Very low | 34.7 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | 82.6 | 126.4 | 133.1 | -66.5 | 171.5 | 0 | 0 | 0 | 118.7 | ||||
| 489 | D | 29.5 | Very low | 34.8 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | trans | 21.1 | 122.7 | 155.5 | -66.8 | -69.5 | 0 | 0 | 0 | 124.2 | ||||
| 490 | H | 31.9 | Very low | 34.8 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | 67 | 146.8 | 126.9 | -76.4 | 86.2 | 0 | 0 | 0 | 122.4 | |||||
| 491 | F | 30.9 | Very low | 34.8 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 75% | 0.746 | 75% | 0.751 | S | S | * | * | trans | 66.6 | 123.5 | 167.9 | -65.6 | -73 | 0 | 0 | 0 | 119.5 | ||||
| 492 | Y | 33 | Very low | 34.8 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | -149.6 | 140.6 | 110.1 | -120 | -81.2 | 0 | 0 | 0 | 111.2 | |||||
| 493 | S | 36 | Very low | 35.3 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | trans | -98.9 | 168.1 | 177 | -46.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 494 | P | 42.3 | Very low | 35 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -84.1 | 160.9 | 146.5 | 34.4 | -30.2 | 0 | 0 | 0 | 111.9 | ||||
| 495 | H | 37.9 | Very low | 35.2 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | -45.8 | 167.4 | -171.5 | -42.6 | -55.2 | 0 | 0 | 0 | 117.9 | ||||
| 496 | S | 36.6 | Very low | 35.4 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -163.2 | 152.7 | 26 | 62.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 497 | Q | 38.1 | Very low | 35.8 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | 61.3 | 151.1 | 158.6 | -63.5 | -176.8 | 21.6 | 0 | 0 | 118.7 | ||||
| 498 | A | 36.8 | Very low | 36.2 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | cis | -163.9 | 156.5 | -26 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 499 | N | 36.2 | Very low | 36.5 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 67.1 | 112.5 | 156.1 | -75.6 | -32.7 | 0 | 0 | 0 | 122.9 | ||||
| 500 | R | 32.8 | Very low | 37.1 | Very low | 223 Ų | 223 | 136.6 Ų | 136.6 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | 93.6 | 113.1 | 123.4 | -73.8 | -171.6 | 171.3 | -164.7 | -3.2 | 123.2 | |||||
| 501 | V | 35.7 | Very low | 37.2 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | 84.5 | 91.9 | 123.3 | -178.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 502 | S | 34 | Very low | 37.5 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | 66.1 | 178.1 | 117.5 | -37 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 503 | P | 43.9 | Very low | 37.6 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | -141.3 | -164.9 | -106.8 | 40.5 | -17.3 | 0 | 0 | 0 | 116.3 | |||||
| 504 | S | 34.1 | Very low | 37.3 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 115.7 | 150.8 | 144.5 | -158.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 505 | A | 39.3 | Very low | 37.1 | Very low | 83 Ų | 83 | 132.2 Ų | 132.2 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | 72 | 149.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 506 | K | 38.8 | Very low | 37.3 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | cis | -169 | 153.8 | -12.5 | -116.5 | -179.7 | -178.8 | -179.3 | 0 | 110.8 | ||||
| 507 | V | 42.2 | Very low | 37.1 | Very low | 144 Ų | 144 | 128 Ų | 128 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | trans | 64.4 | 139.4 | 150.1 | 175 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 508 | G | 39.3 | Very low | 36.8 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | cis | 176.9 | 173.9 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 509 | N | 38 | Very low | 36.9 | Very low | 155 Ų | 155 | 128 Ų | 128 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | 51.2 | 143.6 | 134.6 | -79.8 | 34.1 | 0 | 0 | 0 | 121.8 | ||||
| 510 | T | 40.5 | Very low | 36.8 | Very low | 97 Ų | 97 | 125 Ų | 125 | 60% | 0.595 | 74% | 0.735 | S | S | * | * | cis | -150.2 | 148.1 | 8.4 | 29.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 511 | D | 35.2 | Very low | 36.7 | Very low | 143 Ų | 143 | 121 Ų | 121 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | 46.7 | 150.8 | 129.4 | -45.3 | -24.3 | 0 | 0 | 0 | 120.6 | |||||
| 512 | S | 37.1 | Very low | 36.6 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | cis | -166.9 | 169.3 | 8.3 | 31.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 513 | V | 35.2 | Very low | 36.6 | Very low | 130 Ų | 130 | 123 Ų | 123 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | cis | -154.7 | 168.2 | -8.4 | 120.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 514 | C | 30.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | trans | -9.5 | 142.1 | 173.7 | -47.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 515 | Q | 36.5 | Very low | 35.7 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | cis | 59.9 | 159.6 | 40.4 | -72.3 | -88.2 | -20.7 | 0 | 0 | 113.7 | ||||
| 516 | P | 42.4 | Very low | 35.5 | Very low | 91 Ų | 91 | 123 Ų | 123 | 59% | 0.591 | 74% | 0.74 | S | S | * | * | cis | -135.1 | -169.4 | 1.7 | 35.8 | -14.1 | 0 | 0 | 0 | 115.3 | ||||
| 517 | T | 32.6 | Very low | 35.3 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 62.5 | 153.2 | 143.8 | 54.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 518 | D | 32.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 65% | 0.647 | 73% | 0.732 | S | S | * | * | cis | -164.3 | 148.4 | -29.7 | -108.4 | -18.2 | 0 | 0 | 0 | 109.9 | ||||
| 519 | N | 38 | Very low | 34.7 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | 175.7 | 89.4 | 133.5 | -94.3 | -30.6 | 0 | 0 | 0 | 108.2 | ||||
| 520 | S | 33.9 | Very low | 34.6 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 57% | 0.566 | 73% | 0.734 | S | S | * | * | 70.3 | 139.7 | 60.4 | 97.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 521 | I | 30.8 | Very low | 34.7 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | cis | -164 | 157.1 | -49.2 | -113.3 | 160 | 0 | 0 | 0 | 106.3 | I523 | I521-I523 HydrophobicContact CG2-CD1 3.93Š| ||
| 522 | P | 35 | Very low | 35 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | -70.1 | -173.5 | 171.8 | -14.4 | 30.3 | 0 | 0 | 0 | 111.6 | ||||
| 523 | I | 32.2 | Very low | 34.9 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | trans | 160.3 | 146.5 | 135.2 | -84.6 | 156.3 | 0 | 0 | 0 | 111.5 | I521 | I521-I523 HydrophobicContact CG2-CD1 3.93Š| ||
| 524 | S | 29.2 | Very low | 34.8 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | -95.5 | 144.9 | 169.6 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 525 | C | 30.5 | Very low | 35.1 | Very low | 137 Ų | 137 | 134 Ų | 134 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | trans | 2.6 | 121.3 | 161.4 | -49.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 526 | G | 34.3 | Very low | 35.2 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | -158.6 | 134.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 527 | H | 34.8 | Very low | 35.1 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -91.4 | 145.6 | -161.9 | -117.7 | 2.5 | 0 | 0 | 0 | 116.3 | ||||
| 528 | R | 32.3 | Very low | 35.3 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | 56.3 | 132.3 | 140.8 | -64.8 | 178.8 | -178.1 | -149 | -2.7 | 121.8 | ||||
| 529 | N | 36.8 | Very low | 35.5 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | -168.2 | 145.1 | 97.8 | -92 | -25.3 | 0 | 0 | 0 | 112.4 | |||||
| 530 | N | 36.4 | Very low | 35.3 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 32.5 | 150 | 149 | -55.6 | 1.4 | 0 | 0 | 0 | 120.8 | ||||
| 531 | D | 42 | Very low | 35.3 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -151.3 | -162.6 | 39.7 | -149.2 | 28.6 | 0 | 0 | 0 | 112.6 | ||||
| 532 | P | 41.4 | Very low | 35.4 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 54% | 0.539 | 77% | 0.771 | S | S | . | * | -127.1 | 178.1 | -104.9 | 40.3 | -23.4 | 0 | 0 | 0 | 117.9 | |||||
| 533 | N | 36 | Very low | 35.3 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 77.7 | 148.8 | 173.5 | -49 | -62.9 | 0 | 0 | 0 | 114.7 | ||||
| 534 | R | 32.9 | Very low | 35.3 | Very low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | cis | -156.8 | 123.6 | 19.2 | -173.3 | 177.7 | -176.6 | -174.2 | 1.3 | 112.7 | ||||
| 535 | L | 36.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 51 | 144.2 | 152.4 | -50.5 | 171.3 | 0 | 0 | 0 | 119.6 | ||||
| 536 | Q | 39.5 | Very low | 35.3 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | cis | -156.8 | 166.9 | -5.7 | -117.9 | 178.6 | 5.6 | 0 | 0 | 109.7 | ||||
| 537 | P | 38.6 | Very low | 35.1 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -107.8 | 167.9 | -165.5 | 40.5 | -35.1 | 0 | 0 | 0 | 116.4 | ||||
| 538 | G | 37.6 | Very low | 34.8 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -150.5 | 136.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 539 | M | 36.2 | Very low | 34.7 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 100% | 0.995 | 76% | 0.758 | S | S | * | * | trans | -53.8 | 160.7 | -176.5 | -59.9 | 153 | 164.9 | 0 | 0 | 116 | ||||
| 540 | G | 35 | Very low | 34.5 | Very low | 62 Ų | 62 | 140 Ų | 140 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | cis | 164 | 175.3 | -3.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 541 | T | 34.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 45.3 | 103.3 | 154.8 | 52.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 542 | T | 32.8 | Very low | 34 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | 90.7 | 134.2 | 67.1 | 56.2 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 543 | N | 32 | Very low | 33.4 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 81.5 | 113.8 | 143.4 | -76.4 | -1.1 | 0 | 0 | 0 | 123.5 | ||||
| 544 | S | 31.5 | Very low | 33.1 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | 111 | 130.8 | 110.5 | 71.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 545 | N | 30 | Very low | 33.1 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 66 | 135.2 | 140.7 | -69.9 | -3.6 | 0 | 0 | 0 | 123.4 | ||||
| 546 | S | 30.1 | Very low | 32.9 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 101.5 | 114.5 | 135.3 | 76.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 547 | S | 29.9 | Very low | 32.6 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 86.9 | 150.8 | 132.6 | 85.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 548 | N | 29.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | 80.6 | 124.8 | 144.1 | -77.7 | -51.3 | 0 | 0 | 0 | 121.9 | ||||
| 549 | R | 30.3 | Very low | 32.3 | Very low | 227 Ų | 227 | 129.9 Ų | 129.9 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | 76.7 | 112.9 | 139.6 | -65.9 | 175.6 | -175.6 | -153.3 | 1.9 | 120.4 | ||||
| 550 | R | 33 | Very low | 32.1 | Very low | 232 Ų | 232 | 130.9 Ų | 130.9 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | -7.3 | 162.9 | 117.1 | -89.8 | -172.7 | -177.1 | -151.4 | 3.5 | 117.2 | |||||
| 551 | P | 37.8 | Very low | 32 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | cis | -141.3 | -172.7 | -2.3 | 37.4 | -15.7 | 0 | 0 | 0 | 115.6 | ||||
| 552 | I | 28.5 | Very low | 32.1 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | 10.8 | 126.7 | 135.9 | -52.2 | 158.1 | 0 | 0 | 0 | 118.3 | ||||
| 553 | S | 29.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 162.3 | 104.4 | 131.5 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 554 | A | 30.9 | Very low | 32.1 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | 82.7 | 138.4 | 70 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 555 | G | 31.9 | Very low | 32.1 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 160 | 103.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 556 | A | 31.8 | Very low | 32.3 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | cis | 152.4 | 100.2 | -19.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 557 | A | 34.5 | Very low | 32.3 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -162.9 | 116.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 558 | H | 34.3 | Very low | 32.4 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | 68 | 123.2 | 83.9 | -75.9 | -49.6 | 0 | 0 | 0 | 112.6 | |||||
| 559 | L | 34.3 | Very low | 32.4 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | -150.1 | 162.5 | 10.4 | -81.7 | 124.4 | 0 | 0 | 0 | 112.2 | ||||
| 560 | R | 32.2 | Very low | 32.4 | Very low | 222 Ų | 222 | 122.8 Ų | 122.8 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 39.1 | 151.2 | 139.5 | -64.1 | 175.1 | -170.6 | -169.9 | 3.6 | 121.3 | ||||
| 561 | S | 32.4 | Very low | 32.2 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -177.6 | 157.7 | -20.7 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 562 | S | 36.6 | Very low | 31.9 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 59.6 | 145.1 | 163.7 | 46.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 563 | G | 33.6 | Very low | 31.9 | Very low | 75 Ų | 75 | 117.9 Ų | 117.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | 164.8 | 127.9 | -10 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 564 | G | 31.9 | Very low | 32 | Very low | 75 Ų | 75 | 116.1 Ų | 116.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 76.6 | 173.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 565 | T | 32.2 | Very low | 32 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | cis | -160.7 | 155 | -18 | -25.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 566 | I | 33.1 | Very low | 32 | Very low | 163 Ų | 163 | 116.1 Ų | 116.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 68.6 | 142.9 | 166.1 | -52.6 | 167.5 | 0 | 0 | 0 | 114.4 | ||||
| 567 | G | 30.3 | Very low | 32.1 | Very low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | cis | 128 | 89.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 568 | S | 31.9 | Very low | 31.8 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -134.1 | 98.7 | 179.3 | -74.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 569 | T | 29.1 | Very low | 31.8 | Very low | 145 Ų | 145 | 114.9 Ų | 114.9 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -88 | 116.2 | 163.9 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 570 | A | 31.3 | Very low | 31.5 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -93 | 107.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 571 | S | 27.4 | Very low | 31.5 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -98.8 | 129 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 572 | V | 32 | Very low | 31.4 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -124.7 | 100.5 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 573 | V | 28.8 | Very low | 31.4 | Very low | 140 Ų | 140 | 116.2 Ų | 116.2 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -86.7 | 114.4 | 167.8 | 177.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 574 | G | 31.3 | Very low | 31.1 | Very low | 71 Ų | 71 | 115.8 Ų | 115.8 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -139 | 110.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 575 | A | 30.9 | Very low | 31 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -87.5 | 139.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 576 | G | 31.6 | Very low | 31 | Very low | 67 Ų | 67 | 114.6 Ų | 114.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -175.8 | 101 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 577 | S | 34.2 | Very low | 30.9 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | 19.4 | 105.3 | 158.1 | 57 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 578 | G | 28.2 | Very low | 30.7 | Very low | 82 Ų | 82 | 115.5 Ų | 115.5 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -76.8 | 147.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 579 | T | 33.8 | Very low | 30.6 | Very low | 129 Ų | 129 | 115.1 Ų | 115.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -117.4 | 152.3 | 157.1 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | C581 | T579-C581 PolarHBondContact O-N 3.1Š| ||
| 580 | R | 29.2 | Very low | 30.8 | Very low | 234 Ų | 234 | 114 Ų | 114 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | -88.3 | 102.1 | -165.2 | -170.3 | 174.9 | -178.9 | 165.9 | -0 | 111.3 | ||||
| 581 | C | 32.5 | Very low | 30.7 | Very low | 93 Ų | 93 | 114.6 Ų | 114.6 | 63% | 0.628 | 73% | 0.734 | S | S | * | * | trans | -94.2 | 98.2 | -175.9 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | T579 T583 | T579-C581 PolarHBondContact O-N 3.1Å; C581-T583 HydrophobicContact CB-CG2 4.45Å; C581-T583 PolarHBondContact O-N 3.02Å | ||
| 582 | D | 30.3 | Very low | 31 | Very low | 147 Ų | 147 | 115.9 Ų | 115.9 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -77.3 | 69.6 | 169.6 | -76 | -30.4 | 0 | 0 | 0 | 111.7 | S584 | D582-S584 VanDerWaalsContact C-N 3.34Å; D582-S584 PolarHBondContact O-N 3.37Å | ||
| 583 | T | 35.8 | Very low | 31 | Very low | 118 Ų | 118 | 115.1 Ų | 115.1 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -73.7 | 79 | 179.1 | 36.4 | 0 | 0 | 0 | 0 | 112.3 | C581 C585 | C581-T583 HydrophobicContact CB-CG2 4.45Å; C581-T583 PolarHBondContact O-N 3.02Å; T583-C585 PolarHBondContact O-N 2.97Å | ||
| 584 | S | 27.4 | Very low | 31.3 | Very low | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 72% | 0.72 | S | S | . | * | trans | -72.4 | 51.9 | 173.2 | 79.6 | 0 | 0 | 0 | 0 | 113.3 | D582 | D582-S584 VanDerWaalsContact C-N 3.34Å; D582-S584 PolarHBondContact O-N 3.37Å | ||
| 585 | C | 30.1 | Very low | 31.5 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 58% | 0.581 | 73% | 0.725 | S | S | * | * | trans | -104.4 | 60.8 | 177.8 | -70.7 | 0 | 0 | 0 | 0 | 110.5 | T583 H587 | T583-C585 PolarHBondContact O-N 2.97Å; C585-H587 PolarHBondContact O-N 2.97Å; C585-H587 PolarHBondContact O-ND1 3.29Å; C585-H587 VanDerWaalsContact O-ND1 3.12Å | ||
| 586 | T | 32 | Very low | 31.6 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 56% | 0.564 | 71% | 0.713 | S | S | * | * | trans | -64.1 | 108.4 | 177.6 | 42.7 | 0 | 0 | 0 | 0 | 110.9 | K231 A588 | K231-T586 HydrophobicContact CD-CG2 3.99Å; T586-A588 PolarHBondContact O-N 3.33Å | ||
| 587 | H | 30.2 | Very low | 31.7 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | -63.9 | 123.5 | 167.4 | -70 | 50.6 | 0 | 0 | 0 | 108.7 | C585 V589 | C585-H587 PolarHBondContact O-N 2.97Å; C585-H587 PolarHBondContact O-ND1 3.29Å; C585-H587 VanDerWaalsContact O-ND1 3.12Å; H587-V589 PolarHBondContact O-N 3.26Å; H587-V589 VanDerWaalsContact O-N 3.11Å | ||
| 588 | A | 28 | Very low | 31.5 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | trans | -78.7 | 90.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T586 I590 | T586-A588 PolarHBondContact O-N 3.33Å; A588-I590 PolarHBondContact O-N 3.26Å | ||
| 589 | V | 28.9 | Very low | 31.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -73.3 | 96.4 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | H587 V591 | H587-V589 PolarHBondContact O-N 3.26Å; H587-V589 VanDerWaalsContact O-N 3.11Å; V589-V591 HydrophobicContact CG1-CG2 4.05Å; V589-V591 PolarHBondContact O-N 3.44Å | ||
| 590 | I | 32.9 | Very low | 31.7 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | trans | -79 | 98.2 | 168.6 | -58.2 | 178.2 | 0 | 0 | 0 | 107.3 | A588 M592 | A588-I590 PolarHBondContact O-N 3.26Å; I590-M592 HydrophobicContact CG2-CG 4.08Å; I590-M592 PolarHBondContact O-N 2.98Å | ||
| 591 | V | 29.9 | Very low | 31.9 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -71.5 | 109.4 | 167.8 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | V589 V593 | V589-V591 HydrophobicContact CG1-CG2 4.05Å; V589-V591 PolarHBondContact O-N 3.44Å; V591-V593 HydrophobicContact CG1-CG2 4.31Å | ||
| 592 | M | 32.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 119.5 | 162.4 | -61 | -162.4 | -55.1 | 0 | 0 | 107.6 | I590 | I590-M592 HydrophobicContact CG2-CG 4.08Å; I590-M592 PolarHBondContact O-N 2.98Å |
| 593 | V | 33.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 123.2 | 170.1 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | V591 | V591-V593 HydrophobicContact CG1-CG2 4.31Š|
| 594 | D | 34.3 | Very low | 31.6 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 136.9 | 177.3 | -167 | 0 | 0 | 0 | 0 | 110.7 | ||
| 595 | Q | 34.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -147.2 | 88.7 | 166.9 | -75.4 | -159 | -3.9 | 0 | 0 | 110.6 | ||||
| 596 | G | 34.1 | Very low | 32.1 | Very low | 62 Ų | 62 | 141.5 Ų | 141.5 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | 60.7 | 84.1 | 127.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 597 | E | 32.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 60.1 | 143.2 | 142.4 | -56.8 | -172.5 | 170.8 | 0 | 0 | 121.2 | ||||
| 598 | N | 31.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | 64.6 | 63 | 157.7 | -60.7 | -40.7 | 0 | 0 | 0 | 118.8 | ||||
| 599 | S | 36.4 | Very low | 32.7 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -145 | 133.6 | 141.8 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 600 | N | 30.7 | Very low | 32.8 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -103.3 | 79.1 | -176.2 | -170.5 | 7.7 | 0 | 0 | 0 | 110 | ||||
| 601 | Y | 32.6 | Very low | 32.7 | Very low | 221 Ų | 221 | 143 Ų | 143 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -143.2 | 144.4 | -177.7 | -110.6 | -90.6 | 0 | 0 | 0 | 113.3 | ||||
| 602 | H | 31.5 | Very low | 32.7 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -79.6 | 161.1 | 168.1 | -83.6 | -40.6 | 0 | 0 | 0 | 112.1 | ||
| 603 | D | 31.8 | Very low | 32.4 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 58.7 | 84.9 | 176.2 | -80.9 | -18.4 | 0 | 0 | 0 | 117.8 | ||||
| 604 | M | 29.8 | Very low | 32.3 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -124 | 105.5 | 150.6 | -71.9 | -168.7 | 70.7 | 0 | 0 | 111.2 | ||||
| 605 | T | 37.8 | Very low | 32.1 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -145.4 | 50.6 | 161.1 | -46.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 606 | K | 30.1 | Very low | 31.9 | Very low | 206 Ų | 206 | 144.8 Ų | 144.8 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -96.3 | 70.9 | 165.8 | -76.7 | -171 | 175.6 | -179.5 | 0 | 110.1 | V608 | K606-V608 PolarHBondContact O-N 2.8Š| ||
| 607 | A | 33.4 | Very low | 31.6 | Very low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 99.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 608 | V | 32.4 | Very low | 31.6 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 131.6 | 167.5 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | K606 L610 | K606-V608 PolarHBondContact O-N 2.8Å; V608-L610 VanDerWaalsContact C-N 3.33Å; V608-L610 PolarHBondContact O-N 2.97Å | ||
| 609 | P | 35.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 90.7 | 172.3 | 29.5 | -33.5 | 0 | 0 | 0 | 109.5 | T611 | P609-T611 PolarHBondContact O-N 3.09Š| ||
| 610 | L | 30.2 | Very low | 31.2 | Very low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -71.8 | 110.2 | 168.6 | -82.4 | 171.7 | 0 | 0 | 0 | 109.2 | V608 L612 | V608-L610 VanDerWaalsContact C-N 3.33Å; V608-L610 PolarHBondContact O-N 2.97Å; L610-L612 VanDerWaalsContact C-N 3.3Å; L610-L612 PolarHBondContact O-N 2.98Å | ||
| 611 | T | 31.9 | Very low | 31.2 | Very low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -66.8 | 84.8 | 169.5 | 32.9 | 0 | 0 | 0 | 0 | 110.4 | P609 A613 | P609-T611 PolarHBondContact O-N 3.09Å; T611-A613 VanDerWaalsContact C-N 3.3Å; T611-A613 PolarHBondContact O-N 3.13Å | ||
| 612 | L | 29.8 | Very low | 31.4 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -76.3 | 80.8 | 177.3 | -160.6 | 77.5 | 0 | 0 | 0 | 111 | L610 S614 | L610-L612 VanDerWaalsContact C-N 3.3Å; L610-L612 PolarHBondContact O-N 2.98Å; L612-S614 PolarHBondContact O-N 3.2Å; L612-S614 PolarHBondContact O-OG 2.72Å | ||
| 613 | A | 27.1 | Very low | 31.5 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -66.6 | 79.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T611 H615 | T611-A613 VanDerWaalsContact C-N 3.3Å; T611-A613 PolarHBondContact O-N 3.13Å; A613-H615 PolarHBondContact O-N 2.91Å | ||
| 614 | S | 30.7 | Very low | 31.6 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | trans | -75.4 | 92.7 | -177.6 | -57.4 | 0 | 0 | 0 | 0 | 110 | L612 W616 | L612-S614 PolarHBondContact O-N 3.2Å; L612-S614 PolarHBondContact O-OG 2.72Å; S614-W616 PolarHBondContact O-N 3.3Å | ||
| 615 | H | 30.7 | Very low | 31.7 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -57.8 | 133.3 | 165.8 | -87.8 | 61.4 | 0 | 0 | 0 | 109.8 | A613 I617 | A613-H615 PolarHBondContact O-N 2.91Å; H615-I617 HydrophobicContact CB-CG1 4.34Å | ||
| 616 | W | 29.2 | Very low | 31.2 | Very low | 245 Ų | 245 | 133.3 Ų | 133.3 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -102.6 | 129.6 | 153.4 | -96.3 | 66.3 | 0 | 0 | 0 | 107.6 | S614 | S614-W616 PolarHBondContact O-N 3.3Š| ||
| 617 | I | 27.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -120.9 | 110.9 | 179.6 | -63.4 | 176.3 | 0 | 0 | 0 | 108.2 | H615 | H615-I617 HydrophobicContact CB-CG1 4.34Š| ||
| 618 | A | 32.5 | Very low | 31 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -177.9 | 137 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 619 | G | 29.2 | Very low | 30.9 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 179.5 | 160 | -3.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 620 | G | 30.1 | Very low | 30.5 | Very low | 54 Ų | 54 | 135.3 Ų | 135.3 | 56% | 0.557 | 78% | 0.782 | S | S | * | * | trans | 97.2 | 120.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 621 | E | 31.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | cis | 70.2 | 120 | 47.7 | -55 | 142 | -133.9 | 0 | 0 | 109.1 | ||||
| 622 | D | 35.4 | Very low | 30.9 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -122.9 | 138.9 | 17.9 | -58.3 | -54.3 | 0 | 0 | 0 | 111.8 | ||||
| 623 | E | 35.2 | Very low | 31 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | 81.1 | 157 | 92.4 | -60.2 | -141.2 | 137.3 | 0 | 0 | 117.9 | |||||
| 624 | E | 32.9 | Very low | 31.2 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -32.8 | 160.6 | 180 | -51 | -165.4 | 151.3 | 0 | 0 | 119.4 | ||||
| 625 | G | 32 | Very low | 31.1 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -179.4 | -176.1 | 3.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 626 | S | 26.5 | Very low | 31 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -61.8 | 145.7 | 172 | 52 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 627 | V | 32.2 | Very low | 31.1 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -161.4 | 156.4 | 132.6 | 132.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 628 | L | 28.5 | Very low | 31.1 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -61.2 | 173.6 | -165.8 | -58 | 160.4 | 0 | 0 | 0 | 117.9 | ||||
| 629 | S | 29 | Very low | 31.1 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 68.4 | 119.6 | 147.2 | 48.7 | 0 | 0 | 0 | 0 | 120.5 | N631 | S629-N631 PolarHBondContact O-N 2.91Š| ||
| 630 | E | 27.8 | Very low | 31 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 1.5 | 110.3 | 131.9 | -59.4 | 170 | 169.6 | 0 | 0 | 116.3 | ||||
| 631 | N | 35.2 | Very low | 31.4 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | -176.5 | 160.8 | 111.3 | -95.3 | -42.6 | 0 | 0 | 0 | 114.1 | S629 | S629-N631 PolarHBondContact O-N 2.91Š| |||
| 632 | E | 34.7 | Very low | 31.4 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 45.7 | 109.1 | 148.1 | -65.8 | 178.1 | 170.2 | 0 | 0 | 121.1 | ||||
| 633 | D | 32.5 | Very low | 31.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | 80.2 | 162.3 | 123.6 | -74.2 | 3.1 | 0 | 0 | 0 | 123.6 | |||||
| 634 | A | 32.2 | Very low | 31 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | 57.9 | 102.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 635 | V | 28.8 | Very low | 30.8 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | 75.9 | 94.4 | 63.1 | 179.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 636 | V | 28.6 | Very low | 30.6 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | 87.5 | 140.4 | 128.7 | 165.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 637 | K | 31.1 | Very low | 30.7 | Very low | 184 Ų | 184 | 127.3 Ų | 127.3 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | 70.4 | 130.6 | 168.4 | -73.9 | 151.2 | -160.9 | 164.1 | 0 | 115.9 | ||||
| 638 | V | 27.7 | Very low | 30.7 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | cis | 77.8 | 93.3 | 40 | -178.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 639 | K | 31 | Very low | 30.9 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 73% | 0.726 | 76% | 0.755 | S | S | * | * | trans | 175.8 | 152.6 | 136.7 | -99.7 | 163.7 | -178.7 | -176.5 | 0 | 112.1 | Y810 | K639-Y810 WeakPolarHBondContact CE-OH 3.1Š| ||
| 640 | G | 27.9 | Very low | 31.1 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | -92.5 | -151.2 | 155 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 641 | P | 38.3 | Very low | 31.4 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | cis | -132.9 | -129.9 | 9.2 | 41.6 | -21 | 0 | 0 | 0 | 112 | ||||
| 642 | V | 31.9 | Very low | 31.3 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 62.5 | 124.3 | 174.7 | -72.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 643 | S | 31.1 | Very low | 31.2 | Very low | 101 Ų | 101 | 112.3 Ų | 112.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 69.6 | 138.6 | 62.3 | 95.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 644 | S | 30 | Very low | 31.3 | Very low | 92 Ų | 92 | 111.8 Ų | 111.8 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | cis | -177.5 | -179.9 | 4 | 35 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 645 | V | 29 | Very low | 31.3 | Very low | 142 Ų | 142 | 114 Ų | 114 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 63 | 165.4 | 166.4 | -111.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 646 | A | 28.8 | Very low | 31.6 | Very low | 76 Ų | 76 | 115.9 Ų | 115.9 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | cis | -152.6 | 157.3 | -12.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 647 | S | 29.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 115.4 Ų | 115.4 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 63.4 | 154.5 | 133.3 | -64.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 648 | A | 30.9 | Very low | 31.8 | Very low | 96 Ų | 96 | 108.4 Ų | 108.4 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | trans | 74.3 | 145.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 649 | S | 33.8 | Very low | 32 | Very low | 114 Ų | 114 | 104.9 Ų | 104.9 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | cis | -170.1 | 147.9 | -13.9 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 650 | G | 33.1 | Very low | 32 | Very low | 83 Ų | 83 | 102.7 Ų | 102.7 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | 89.1 | 138.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 651 | G | 33.3 | Very low | 32.3 | Very low | 70 Ų | 70 | 106.4 Ų | 106.4 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | cis | 163.7 | 160.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 652 | V | 34.1 | Very low | 32 | Very low | 144 Ų | 144 | 108.3 Ų | 108.3 | 87% | 0.873 | 68% | 0.681 | S | S | * | * | trans | 64.7 | 127.8 | 175.8 | -162.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 653 | G | 32.6 | Very low | 31.9 | Very low | 58 Ų | 58 | 107.9 Ų | 107.9 | 60% | 0.598 | 68% | 0.675 | S | S | * | * | cis | 128.8 | 161.7 | 13.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 654 | D | 34.5 | Very low | 31.8 | Very low | 147 Ų | 147 | 111 Ų | 111 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | cis | -167.8 | 158.5 | -10 | -68.4 | -50.7 | 0 | 0 | 0 | 105 | ||||
| 655 | E | 32.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 112.9 Ų | 112.9 | 62% | 0.621 | 68% | 0.678 | S | S | * | * | cis | -170.4 | -172.8 | -15.8 | 177.8 | 168.5 | -137.1 | 0 | 0 | 105.9 | ||||
| 656 | Y | 33.9 | Very low | 31.7 | Very low | 173 Ų | 173 | 113.4 Ų | 113.4 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | trans | 72.9 | 164.6 | 162.8 | -56.6 | -67.7 | 0 | 0 | 0 | 120.4 | L416 | L416-Y656 CarbonylContact O-C 3.59Å; L416-Y656 VanDerWaalsContact O-O 3.05Å | ||
| 657 | D | 31.7 | Very low | 31.8 | Very low | 96 Ų | 96 | 112.7 Ų | 112.7 | 51% | 0.513 | 68% | 0.676 | S | S | . | * | cis | -151.7 | 152.9 | -37 | -170.2 | 53.7 | 0 | 0 | 0 | 106.7 | A415 L416 N417 | A415-D657 HydrophobicContact CB-CB 4.33Å; A415-D657 WeakPolarHBondContact CB-OD1 3.26Å; L416-D657 CarbonylContact C-O 3.51Å; L416-D657 CarbonylContact O-C 3.6Å; L416-D657 WeakPolarHBondContact O-CA 3.4Å; L416-D657 PolarHBondContact O-N 3.19Å; N417-D657 WeakPolarHBondContact CB-O 3.4Å; N417-D657 PolarHBondContact N-O 3.23Å | ||
| 658 | A | 33.5 | Very low | 31.9 | Very low | 38 Ų | 38 | 113.4 Ų | 113.4 | 31% | 0.314 | 68% | 0.676 | S | S | . | * | cis | -149.3 | 174.8 | 31 | 0 | 0 | 0 | 0 | 0 | 112.9 | L416 | L416-A658 VanDerWaalsContact CB-O 3.22Å; L416-A658 WeakPolarHBondContact CB-O 3.26Å; L416-A658 VanDerWaalsContact CG-O 3.27Å; L416-A658 WeakPolarHBondContact CG-O 3.39Å; L416-A658 PolarHBondContact N-O 3.17Å; L416-A658 VanDerWaalsContact N-O 3.17Å | ||
| 659 | S | 30.8 | Very low | 31.9 | Very low | 54 Ų | 54 | 115 Ų | 115 | 38% | 0.378 | 67% | 0.671 | S | S | . | * | trans | -118.1 | -159.4 | 167.1 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 660 | N | 31.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 65% | 0.647 | 67% | 0.667 | S | S | * | * | trans | 82.4 | 151.9 | 158.6 | -56.6 | -16.7 | 0 | 0 | 0 | 117.3 | ||||
| 661 | H | 34.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | cis | -166.3 | 168.8 | -9.2 | -116 | -5.4 | 0 | 0 | 0 | 114.9 | ||||
| 662 | F | 30.9 | Very low | 31.3 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 69% | 0.689 | 67% | 0.669 | S | S | * | * | trans | 68.1 | 130.4 | 148.7 | -86.7 | -129.4 | 0 | 0 | 0 | 118.4 | ||||
| 663 | N | 29.6 | Very low | 31.4 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | 66.4 | 139.6 | 67.6 | -67.6 | -50.5 | 0 | 0 | 0 | 112.1 | |||||
| 664 | K | 29.8 | Very low | 31.1 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 73% | 0.726 | 67% | 0.674 | S | S | * | * | cis | -168.3 | 171.2 | 5.8 | -129.7 | 174.3 | -178.8 | 178.4 | 0 | 111.5 | ||||
| 665 | L | 27.9 | Very low | 30.7 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | trans | 70 | 135.7 | 147.5 | -72.5 | 162.5 | 0 | 0 | 0 | 120.2 | ||||
| 666 | N | 29.7 | Very low | 30.6 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | trans | 64.4 | 138.7 | 151.7 | -52.5 | -13.7 | 0 | 0 | 0 | 118.5 | ||||
| 667 | G | 30.2 | Very low | 30.4 | Very low | 61 Ų | 61 | 123.3 Ų | 123.3 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | cis | 168.4 | 165.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 668 | T | 30.8 | Very low | 30.4 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | trans | 60.5 | 125.3 | 160.6 | 50 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 669 | N | 30.5 | Very low | 30.2 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | 82.9 | 108 | 134 | -62.9 | 0.3 | 0 | 0 | 0 | 122.3 | ||||
| 670 | N | 29 | Very low | 30.4 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 87.9 | 149.5 | 119.6 | -63.5 | -8.3 | 0 | 0 | 0 | 122.4 | |||||
| 671 | Q | 32 | Very low | 30.3 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 78.8 | 95.8 | 155.2 | -74.5 | 155.7 | 6.3 | 0 | 0 | 119.9 | ||||
| 672 | L | 28.2 | Very low | 30.2 | Very low | 148 Ų | 148 | 135 Ų | 135 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | -7.9 | 150.5 | 120 | -82 | 162.6 | 0 | 0 | 0 | 116.4 | E674 | L672-E674 HydrophobicContact CD2-CG 4.46Š| |||
| 673 | P | 34.4 | Very low | 30.3 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -141.3 | -160.6 | 53.3 | 42.3 | -23.5 | 0 | 0 | 0 | 116.7 | |||||
| 674 | E | 27.3 | Very low | 30.2 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | trans | -100.3 | -177.9 | -164.5 | -52.5 | 172.4 | 105.8 | 0 | 0 | 114.5 | L672 | L672-E674 HydrophobicContact CD2-CG 4.46Š| ||
| 675 | C | 26.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | 76 | 134.5 | 153.5 | -67.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 676 | G | 30.7 | Very low | 30.6 | Very low | 82 Ų | 82 | 140.8 Ų | 140.8 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 171.3 | 91.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 677 | S | 28.1 | Very low | 30.8 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 92% | 0.923 | 82% | 0.816 | S | S | * | * | trans | -80.3 | 146.5 | -177.9 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 678 | G | 32.4 | Very low | 30.9 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -148 | 129.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 679 | E | 29.7 | Very low | 30.8 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -82.8 | 154.2 | -178.8 | -62.1 | -179.1 | 115.6 | 0 | 0 | 112.2 | ||||
| 680 | G | 34.1 | Very low | 31 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -165.7 | 99 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 681 | N | 30.3 | Very low | 31 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | trans | -77.2 | 136.4 | 171 | -68.9 | -68.5 | 0 | 0 | 0 | 110 | ||||
| 682 | E | 32.9 | Very low | 31.1 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -165.2 | 118.5 | 135.4 | -113.6 | 167.8 | -151.2 | 0 | 0 | 115 | ||||
| 683 | V | 32.8 | Very low | 31.3 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 79% | 0.788 | 83% | 0.834 | S | S | * | * | trans | 44 | 120.9 | 137.6 | -176.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 684 | F | 26.5 | Very low | 31.4 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 142.3 | 161 | -83.7 | -100.7 | 0 | 0 | 0 | 113.4 | ||
| 685 | P | 37.2 | Very low | 31.6 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 122.4 | 152.3 | 0 | 19 | 0 | 0 | 0 | 110.8 | ||
| 686 | R | 29.2 | Very low | 31.9 | Very low | 245 Ų | 245 | 144 Ų | 144 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -81 | 132.8 | 156.7 | -80.8 | -175.6 | 173.4 | -173.8 | -1.7 | 108.6 | ||
| 687 | M | 33.6 | Very low | 32 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 147.2 | 161.1 | -77.8 | -66.7 | -169.9 | 0 | 0 | 110.3 | ||
| 688 | P | 33.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80 | 163.3 | -178.5 | -9.7 | 27.9 | 0 | 0 | 0 | 113.2 | ||
| 689 | S | 28.4 | Very low | 32.3 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 123.3 | 164.5 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 690 | E | 33.8 | Very low | 32.5 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -106.4 | 131.2 | 164.9 | -69.3 | -165.2 | 138.6 | 0 | 0 | 110.6 | ||||
| 691 | N | 30.3 | Very low | 32.4 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 122 | 172.6 | -76.1 | -27.8 | 0 | 0 | 0 | 109.4 | ||||
| 692 | G | 32.2 | Very low | 32.5 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -142.6 | 98.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 693 | N | 33.1 | Very low | 32.5 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -65.8 | 135.7 | -176.9 | -70 | -8.3 | 0 | 0 | 0 | 112.2 | ||||
| 694 | N | 35.8 | Very low | 32.7 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -167.5 | 93.5 | 141 | -100.7 | -48.2 | 0 | 0 | 0 | 110 | ||||
| 695 | D | 32.9 | Very low | 33.2 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -71.1 | 135.3 | -176.4 | -70.2 | -72.4 | 0 | 0 | 0 | 113.7 | ||||
| 696 | N | 32.4 | Very low | 33 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -166.9 | 39.1 | 153.8 | -110.9 | -75 | 0 | 0 | 0 | 112.4 | Y698 | N696-Y698 PolarHBondContact O-N 3.47Š| ||
| 697 | N | 33.5 | Very low | 33.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -88.8 | 81 | -174.4 | -109.2 | -36.6 | 0 | 0 | 0 | 112.9 | F699 | N697-F699 VanDerWaalsContact C-N 3.32Å; N697-F699 PolarHBondContact O-N 3.34Å | ||
| 698 | Y | 33.3 | Very low | 32.9 | Very low | 209 Ų | 209 | 139.1 Ų | 139.1 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | trans | -69 | 82.7 | 170.7 | -91.2 | -80.7 | 0 | 0 | 0 | 112.5 | N696 C700 | N696-Y698 PolarHBondContact O-N 3.47Å; Y698-C700 PolarHBondContact O-N 3.31Å | ||
| 699 | F | 33 | Very low | 32.9 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 58% | 0.579 | 77% | 0.767 | S | S | * | * | trans | -81.9 | 105.7 | 163.9 | -105.1 | -89.8 | 0 | 0 | 0 | 110.2 | K15 N697 N701 | K15-F699 HydrophobicContact CD-CZ 4.41Å; N697-F699 VanDerWaalsContact C-N 3.32Å; N697-F699 PolarHBondContact O-N 3.34Å; F699-N701 PolarHBondContact O-N 2.81Å | ||
| 700 | C | 33.7 | Very low | 33.1 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 50% | 0.5 | 77% | 0.773 | S | S | . | * | trans | -85.4 | 100.7 | 161.1 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | Y698 C702 | Y698-C700 PolarHBondContact O-N 3.31Å; C700-C702 PolarHBondContact O-N 3.35Å | ||
| 701 | N | 31.3 | Very low | 33 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -73.4 | 92.1 | 166.4 | -80.3 | -3.9 | 0 | 0 | 0 | 109.3 | F699 D703 | F699-N701 PolarHBondContact O-N 2.81Å; N701-D703 PolarHBondContact O-N 3.03Å | ||
| 702 | C | 33 | Very low | 33 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -92.7 | 82.6 | 166.3 | -61.4 | 0 | 0 | 0 | 0 | 108.4 | C700 P704 | C700-C702 PolarHBondContact O-N 3.35Å; C702-P704 WeakPolarHBondContact O-CD 3.42Å | ||
| 703 | D | 33.2 | Very low | 33 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -76.6 | 114 | -179.5 | -166 | -6 | 0 | 0 | 0 | 110.6 | N701 N705 | N701-D703 PolarHBondContact O-N 3.03Å; D703-N705 PolarHBondContact O-N 3.24Å | ||
| 704 | P | 36.1 | Very low | 32.8 | Very low | 92 Ų | 92 | 150.8 Ų | 150.8 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 50.4 | -167.5 | 37 | -37.7 | 0 | 0 | 0 | 112.8 | C702 | C702-P704 WeakPolarHBondContact O-CD 3.42Š|
| 705 | N | 37 | Very low | 32.8 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.4 | 11 | -177.1 | -97.7 | -27.9 | 0 | 0 | 0 | 115.7 | D703 | D703-N705 PolarHBondContact O-N 3.24Š|
| 706 | M | 33.4 | Very low | 33 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -111.8 | 83.2 | 176.5 | -91.9 | -71.3 | 155.9 | 0 | 0 | 112.2 | ||||
| 707 | L | 32.2 | Very low | 32.9 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -146.7 | 43.8 | 176.1 | -135.7 | 166.3 | 0 | 0 | 0 | 112.6 | ||||
| 708 | N | 29.5 | Very low | 33.1 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -161.1 | 80.5 | 164.6 | -122.8 | -8.2 | 0 | 0 | 0 | 113 | ||||
| 709 | S | 32.6 | Very low | 33 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -171.8 | 90.9 | 159.4 | -86.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 710 | Q | 33.1 | Very low | 33 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 94% | 0.944 | 78% | 0.775 | S | S | * | * | trans | -81 | 113.4 | 158.9 | -74.1 | -177 | -11.5 | 0 | 0 | 108.3 | ||||
| 711 | R | 31.7 | Very low | 32.8 | Very low | 241 Ų | 241 | 144.9 Ų | 144.9 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -115.7 | 127 | 156.7 | -81.3 | -165.4 | 176.9 | -163 | 0.7 | 108.6 | ||||
| 712 | V | 29.2 | Very low | 32.8 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -76.7 | 134.3 | 179.7 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | Q714 | V712-Q714 HydrophobicContact CG1-CG 4.4Š| ||
| 713 | F | 33.6 | Very low | 32.7 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -141.5 | 126.3 | 151.6 | -102.9 | -80.4 | 0 | 0 | 0 | 109.1 | ||||
| 714 | Q | 27.7 | Very low | 32.7 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | -98.2 | 153 | 172.7 | -64.9 | 173.9 | -20.7 | 0 | 0 | 109.4 | V712 | V712-Q714 HydrophobicContact CG1-CG 4.4Š| ||
| 715 | P | 35.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -106.2 | 135.2 | 148 | 33.5 | -25.9 | 0 | 0 | 0 | 110.8 | ||||
| 716 | S | 37.2 | Very low | 32.4 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -68.4 | 161.4 | 171.6 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 717 | G | 32 | Very low | 32.4 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -99.3 | -150.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 718 | D | 36.1 | Very low | 32.3 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 70 | 147.7 | 177.1 | -60.5 | -31.3 | 0 | 0 | 0 | 118.2 | ||||
| 719 | V | 32.3 | Very low | 32.4 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | cis | -169.2 | 148.9 | -44.1 | 122.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 720 | N | 31.6 | Very low | 32.5 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 69.4 | 126.2 | 165.1 | -82 | -24.6 | 0 | 0 | 0 | 121.1 | ||||
| 721 | K | 31.2 | Very low | 32.6 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | 93.7 | 123.1 | 127.1 | -78.3 | -175.9 | 163.5 | -143.7 | 0 | 122.9 | |||||
| 722 | D | 30.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 63% | 0.631 | 79% | 0.789 | S | S | * | * | 72.3 | 106.9 | 128.2 | -53.7 | -18.3 | 0 | 0 | 0 | 121 | |||||
| 723 | V | 30.8 | Very low | 32.9 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | 66.8 | 126.7 | 135.9 | -176.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 724 | G | 32.6 | Very low | 33 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 153.9 | 90.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 725 | S | 33.3 | Very low | 33.4 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -90.3 | 136.2 | 169.1 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 726 | G | 33.6 | Very low | 33.2 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -163.9 | 131.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 727 | S | 32.9 | Very low | 33 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -141.5 | 130 | -167.1 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 728 | Y | 31.9 | Very low | 33.1 | Very low | 220 Ų | 220 | 135 Ų | 135 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | -162.4 | 152 | 167.6 | -74.6 | -74.8 | 0 | 0 | 0 | 108.6 | ||||
| 729 | Q | 31.4 | Very low | 33 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | cis | -162 | 157.9 | -33.6 | -150.7 | 169.3 | 3.9 | 0 | 0 | 108 | ||||
| 730 | E | 33.1 | Very low | 33 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -89.3 | 172.1 | 178.2 | -133.9 | 164.6 | -131.4 | 0 | 0 | 111.4 | ||||
| 731 | P | 36 | Very low | 33.1 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | -154.4 | -169.8 | 74.7 | 42.4 | -20.7 | 0 | 0 | 0 | 117.3 | |||||
| 732 | E | 31.1 | Very low | 33.2 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -88.6 | 169.4 | -172.5 | -49 | 165.9 | 113 | 0 | 0 | 115.4 | ||||
| 733 | S | 35.7 | Very low | 33.3 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | 178.5 | 128.8 | 127.9 | 30.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 734 | D | 36.2 | Very low | 33.5 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 64.9 | 122.3 | 130.1 | -54.6 | -18.1 | 0 | 0 | 0 | 126.6 | ||||
| 735 | E | 35.5 | Very low | 33.7 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | 69.1 | 104.5 | 129.3 | -65.5 | -137.2 | 152.9 | 0 | 0 | 125 | |||||
| 736 | N | 32.9 | Very low | 34.3 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | 89.2 | 127.5 | 106.8 | -153.4 | 12 | 0 | 0 | 0 | 122.5 | |||||
| 737 | S | 31.2 | Very low | 34.4 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 41.8 | 120.5 | 155.6 | 65.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 738 | G | 35.6 | Very low | 34.6 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -173.3 | 138.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 739 | E | 33.4 | Very low | 34.8 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -94.5 | 159.6 | -176.3 | -78.3 | -158.7 | 115.4 | 0 | 0 | 115 | ||||
| 740 | R | 33.4 | Very low | 35.1 | Very low | 209 Ų | 209 | 136.5 Ų | 136.5 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | 75.8 | 100.1 | 144.8 | -85.5 | 175.4 | 177.4 | -160.1 | -1.9 | 121.7 | ||||
| 741 | S | 32.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 84.2 | 117.4 | 114.1 | 67.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 742 | S | 33.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 100 | 162.8 | 128.6 | 80 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 743 | V | 34.1 | Very low | 35.6 | Very low | 125 Ų | 125 | 137 Ų | 137 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | 72.8 | 126.4 | -174.8 | -170 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 744 | N | 34.4 | Very low | 35.5 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | cis | 145.2 | 121.3 | -6.7 | -103.5 | -3.3 | 0 | 0 | 0 | 106.3 | ||||
| 745 | V | 36.4 | Very low | 35.2 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 91.1 | 157.4 | 102.3 | 164.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 746 | P | 45.9 | Very low | 34.8 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -109 | -162.6 | -13.3 | 32.8 | -13.3 | 0 | 0 | 0 | 111.2 | ||||
| 747 | Y | 35.7 | Very low | 34.8 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | cis | -175.7 | 169.8 | 32.6 | -126.4 | -14.6 | 0 | 0 | 0 | 107.1 | ||||
| 748 | I | 38.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | cis | -154.7 | 173.3 | -6.3 | -9.9 | 158.7 | 0 | 0 | 0 | 105.2 | ||||
| 749 | T | 34.9 | Very low | 34.6 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -152.9 | 145.6 | -8.6 | -32.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 750 | P | 36.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -130.7 | 155.6 | 155.2 | 37.3 | -25.8 | 0 | 0 | 0 | 114.1 | ||||
| 751 | G | 45.7 | Very low | 34.1 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -99.7 | 155.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 752 | R | 32.2 | Very low | 34 | Very low | 231 Ų | 231 | 138.1 Ų | 138.1 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -149.7 | -177.8 | -170.5 | -153.3 | -171.2 | -176.6 | -153.8 | 3.8 | 111.4 | ||||
| 753 | L | 34.9 | Very low | 33.7 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 108.6 | 143.9 | 166.8 | -59.8 | 168.2 | 0 | 0 | 0 | 114.4 | ||||
| 754 | S | 32.4 | Very low | 33.6 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | -169.4 | 125.5 | -19.2 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 755 | I | 30.1 | Very low | 33.3 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | 52.3 | 131.2 | 126.3 | -64 | 170.7 | 0 | 0 | 0 | 122 | |||||
| 756 | S | 27.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 72 | 140.6 | 159.5 | -145.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 757 | S | 31.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | cis | -155.2 | 173.2 | 35.8 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 758 | Q | 29.4 | Very low | 32.1 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -86.3 | 146.9 | 177.1 | -61.9 | 166.9 | -35.3 | 0 | 0 | 111.5 | ||||
| 759 | H | 32.8 | Very low | 31.5 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | trans | -161 | 134.6 | 138.5 | -115.9 | -71.9 | 0 | 0 | 0 | 112.7 | ||||
| 760 | T | 25.8 | Very low | 31.3 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -110.2 | 119 | 172.1 | 48 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 761 | Y | 31.6 | Very low | 31.3 | Very low | 229 Ų | 229 | 142.5 Ų | 142.5 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -168.6 | 156.1 | 158.3 | -79.5 | -67.6 | 0 | 0 | 0 | 105.2 | ||||
| 762 | G | 30.8 | Very low | 30.8 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | -177.4 | 169.1 | -0.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 763 | E | 25.9 | Very low | 31 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -74.1 | 160.8 | -173.8 | -61.3 | 155 | 122 | 0 | 0 | 113.7 | ||||
| 764 | V | 32.3 | Very low | 31.1 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | 169.5 | 151.2 | 122.7 | 156.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 765 | E | 27.9 | Very low | 31.3 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -90.2 | 175.8 | -168.9 | -53 | 176.5 | 99.3 | 0 | 0 | 116.2 | ||||
| 766 | S | 31.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 98.7 | 148.5 | 142.4 | 82.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 767 | G | 31 | Very low | 32 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 80.9 | 100.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 768 | S | 30.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | cis | 94.3 | 120.1 | 42.1 | -170.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 769 | C | 26.6 | Very low | 32.6 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 69% | 0.689 | 76% | 0.759 | S | S | * | * | trans | 69.3 | 154.1 | 163.7 | -66 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 770 | R | 29.8 | Very low | 32.7 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | cis | -165.7 | 156.5 | -7.8 | -117.3 | 172.1 | -164.4 | -179.7 | 6.1 | 111.5 | ||||
| 771 | H | 36.7 | Very low | 33.1 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | 69.3 | 152.4 | 153 | -63.7 | -19.7 | 0 | 0 | 0 | 119.1 | ||||
| 772 | N | 35.1 | Very low | 33.1 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | cis | -158.9 | -154.3 | -21.8 | -89.2 | -17.9 | 0 | 0 | 0 | 105.2 | ||||
| 773 | N | 36.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | cis | -165.8 | 163.1 | 2.1 | -142.9 | 0.9 | 0 | 0 | 0 | 111.1 | ||||
| 774 | I | 36.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | trans | 57.7 | 127.3 | 146.4 | -73.8 | 167.5 | 0 | 0 | 0 | 118.4 | ||||
| 775 | N | 37 | Very low | 33.6 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -173.2 | -179.1 | 6.3 | -113.1 | 5.6 | 0 | 0 | 0 | 108 | ||||
| 776 | S | 36.5 | Very low | 33.7 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 47% | 0.469 | 77% | 0.768 | S | S | . | * | cis | 178.1 | 154.6 | -26.1 | 56 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 777 | F | 36.4 | Very low | 33.8 | Very low | 206 Ų | 206 | 137.8 Ų | 137.8 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | cis | -119.5 | -105.5 | 9.1 | -63.3 | -92 | 0 | 0 | 0 | 110.1 | ||||
| 778 | G | 36.8 | Very low | 34 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | 177.1 | 118.6 | -22.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 779 | N | 37.4 | Very low | 34 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | cis | -150.8 | 158.1 | 6.9 | -158.4 | 1 | 0 | 0 | 0 | 111.3 | ||||
| 780 | R | 34.2 | Very low | 34.3 | Very low | 235 Ų | 235 | 146.6 Ų | 146.6 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -120 | 148.6 | 174.3 | -77 | -173.1 | -177.9 | 174.6 | 2.3 | 111 | ||||
| 781 | G | 33.1 | Very low | 34.3 | Very low | 80 Ų | 80 | 148.2 Ų | 148.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -130.6 | 112.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 782 | V | 33.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -124.1 | 133.7 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 783 | A | 32.5 | Very low | 33.9 | Very low | 104 Ų | 104 | 155.9 Ų | 155.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -124.4 | 106.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 784 | R | 32.3 | Very low | 33.8 | Very low | 230 Ų | 230 | 162 Ų | 162 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -119.3 | 117.3 | 156.9 | -72.9 | -172.2 | -173.1 | 168.8 | 2.4 | 108.8 | ||||
| 785 | K | 33.5 | Very low | 33.6 | Very low | 202 Ų | 202 | 160.2 Ų | 160.2 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | -136.9 | 130.3 | 150.7 | -73.1 | -174.6 | 176.7 | 179.4 | 0 | 105.3 | ||||
| 786 | L | 31 | Very low | 33.3 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | cis | 60.2 | 76.3 | 41.8 | -66.1 | 178.2 | 0 | 0 | 0 | 114.1 | ||||
| 787 | S | 33.6 | Very low | 33.1 | Very low | 104 Ų | 104 | 162.9 Ų | 162.9 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -160.9 | 136.1 | 137.4 | 55 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 788 | Q | 34.9 | Very low | 32.7 | Very low | 191 Ų | 191 | 160.1 Ų | 160.1 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | 16.5 | 125.3 | 142.4 | -58.6 | 158.2 | 3.8 | 0 | 0 | 116.8 | ||||
| 789 | G | 29.6 | Very low | 32.5 | Very low | 71 Ų | 71 | 166.7 Ų | 166.7 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | cis | 104.2 | 77.7 | 25.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 790 | F | 33.1 | Very low | 32.3 | Very low | 211 Ų | 211 | 165.2 Ų | 165.2 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -142.8 | 134.6 | 172.4 | -114.7 | -78.8 | 0 | 0 | 0 | 112.4 | ||||
| 791 | R | 30.3 | Very low | 32.1 | Very low | 231 Ų | 231 | 160.1 Ų | 160.1 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -77.4 | 127.2 | 172.7 | -70.2 | 170.2 | 166.1 | 171.5 | -6.5 | 111.1 | ||||
| 792 | R | 33.3 | Very low | 31.9 | Very low | 240 Ų | 240 | 160.9 Ų | 160.9 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -151.5 | 108.7 | 136.8 | -64.6 | -163.8 | 175.5 | 172.3 | -1.6 | 106.4 | ||||
| 793 | Q | 30.3 | Very low | 31.9 | Very low | 185 Ų | 185 | 162.4 Ų | 162.4 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | 46.7 | 89.9 | 69.5 | -80.6 | -168.3 | -22.2 | 0 | 0 | 114.4 | |||||
| 794 | R | 34.1 | Very low | 31.9 | Very low | 252 Ų | 252 | 159.3 Ų | 159.3 | 95% | 0.951 | 78% | 0.783 | S | S | * | * | trans | 171.8 | 143.5 | 150 | -97.4 | 169.9 | -175.7 | -168.6 | 0.8 | 107.3 | ||||
| 795 | A | 33 | Very low | 31.9 | Very low | 91 Ų | 91 | 153.2 Ų | 153.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -155.5 | 157.1 | -28.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 796 | L | 30.7 | Very low | 31.8 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | -72.8 | 166 | 168.8 | -73.8 | 172.8 | 0 | 0 | 0 | 110.7 | Q798 | L796-Q798 HydrophobicContact CD1-CB 4.48Å; L796-Q798 HydrophobicContact CD1-CG 4.18Å; L796-Q798 HydrophobicContact CD2-CG 4.35Å | ||
| 797 | P | 31.7 | Very low | 31.8 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | -118.3 | 123.9 | 100.6 | -7.3 | 26.4 | 0 | 0 | 0 | 114.5 | |||||
| 798 | Q | 29.1 | Very low | 31.7 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -110.9 | 112.4 | 148.6 | -76.3 | 176.1 | -22.4 | 0 | 0 | 106 | L796 | L796-Q798 HydrophobicContact CD1-CB 4.48Å; L796-Q798 HydrophobicContact CD1-CG 4.18Å; L796-Q798 HydrophobicContact CD2-CG 4.35Å | ||
| 799 | Y | 32.4 | Very low | 31.4 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -150.9 | 114.4 | 161.1 | -78.7 | -78.6 | 0 | 0 | 0 | 105.4 | ||||
| 800 | L | 31.8 | Very low | 31.5 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | 83.7 | 117.4 | 64.1 | -82 | 162 | 0 | 0 | 0 | 113.1 | |||||
| 801 | T | 30 | Very low | 31.4 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | 62.6 | 150.2 | 152.3 | 47.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 802 | S | 30.4 | Very low | 31.5 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | cis | -169.1 | 168.8 | -6.2 | 41.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 803 | E | 32.5 | Very low | 31.5 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | 73.1 | 118.1 | 144.8 | -83.5 | 178.1 | 169.4 | 0 | 0 | 125.6 | ||||
| 804 | S | 32.3 | Very low | 31.5 | Very low | 40 Ų | 40 | 130.8 Ų | 130.8 | 28% | 0.28 | 71% | 0.71 | S | S | . | * | 105.8 | 121.1 | 109.3 | 75.7 | 0 | 0 | 0 | 0 | 124.5 | K400 S401 D403 | K400-S804 CarbonylContact C-O 3.59Å; K400-S804 VanDerWaalsContact CA-O 3.28Å; K400-S804 WeakPolarHBondContact CA-O 3.47Å; K400-S804 WeakPolarHBondContact CG-O 3.33Å; S401-S804 PolarHBondContact N-O 3.42Å; S401-S804 VanDerWaalsContact OG-CA 3.25Å; S401-S804 WeakPolarHBondContact OG-CA 3.43Å; S401-S804 PolarHBondContact OG-N 3Å; D403-S804 VanDerWaalsContact OD2-CA 3.29Å; D403-S804 WeakPolarHBondContact OD2-CA 3.46Å; D403-S804 PolarHBondContact OD2-N 3.17Å | |||
| 805 | K | 32.8 | Very low | 31.4 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 44% | 0.443 | 70% | 0.698 | S | S | . | * | B | Isolated β-bridge | trans | 30.3 | 126.7 | 140.5 | -81.5 | 134.7 | 175.1 | 168 | 0 | 120 | K400 S401 F402 | K400-K805 WeakPolarHBondContact CB-O 3.41Å; K400-K805 VanDerWaalsContact CD-O 3.28Å; K400-K805 WeakPolarHBondContact CD-O 3.5Å; K400-K805 WeakPolarHBondContact CG-O 3.44Å; S401-K805 VanDerWaalsContact C-CA 3.46Å; S401-K805 CarbonylContact O-C 3.51Å; S401-K805 PolarHBondContact OG-N 3.41Å; F402-K805 HydrophobicContact CB-CG 4.09Å; F402-K805 HydrophobicContact CD2-CB 4.41Å; F402-K805 HydrophobicContact CD2-CD 3.55Å; F402-K805 HydrophobicContact CD2-CG 3.55Å; F402-K805 HydrophobicContact CE2-CD 3.64Å; F402-K805 HydrophobicContact CE2-CG 4.18Å; F402-K805 HydrophobicContact CG-CD 4.16Å; F402-K805 HydrophobicContact CG-CG 3.82Å; F402-K805 HydrophobicContact CZ-CD 4.25Å; F402-K805 VanDerWaalsContact CZ-CE 3.48Å |
| 806 | L | 30.8 | Very low | 31.3 | Very low | 122 Ų | 122 | 126 Ų | 126 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | cis | -176.3 | 161.9 | 27.1 | -111.6 | 163.4 | 0 | 0 | 0 | 110.8 | S401 | S401-L806 CarbonylContact O-C 3.57Å; S401-L806 WeakPolarHBondContact O-CA 3.36Å; S401-L806 PolarHBondContact O-N 2.77Å; S401-L806 VanDerWaalsContact O-N 3.1Å | ||
| 807 | L | 30.6 | Very low | 31.2 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 80% | 0.801 | 69% | 0.694 | S | S | * | * | trans | -67.4 | 154.4 | 156.7 | -82.7 | 166.5 | 0 | 0 | 0 | 111.5 | ||||
| 808 | P | 32.5 | Very low | 31.1 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | -139.6 | 168.6 | 114 | 38.2 | -27.1 | 0 | 0 | 0 | 114.7 | |||||
| 809 | S | 28 | Very low | 31 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | trans | -104.5 | -156.5 | 176.7 | 60 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 810 | Y | 30.7 | Very low | 30.9 | Very low | 184 Ų | 184 | 120.7 Ų | 120.7 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | trans | 72.1 | 145.2 | -174.4 | -45.9 | -81.3 | 0 | 0 | 0 | 114.4 | K639 | K639-Y810 WeakPolarHBondContact CE-OH 3.1Š| ||
| 811 | G | 31.8 | Very low | 31 | Very low | 66 Ų | 66 | 120 Ų | 120 | 68% | 0.68 | 69% | 0.689 | S | S | * | * | cis | -169.2 | 161.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 812 | I | 32.6 | Very low | 31.2 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | trans | -83.8 | 135.8 | -178.9 | -61.8 | 167.2 | 0 | 0 | 0 | 110.6 | T814 | I812-T814 HydrophobicContact CG2-CG2 4.09Š| ||
| 813 | P | 33.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -106.4 | 153.8 | 139.8 | -10.7 | 29.7 | 0 | 0 | 0 | 112.5 | ||||
| 814 | T | 30 | Very low | 32.1 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 76% | 0.761 | 68% | 0.683 | S | S | * | * | trans | -107.8 | -178.4 | 178.8 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | I812 | I812-T814 HydrophobicContact CG2-CG2 4.09Š| ||
| 815 | A | 31 | Very low | 32.3 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | 75.3 | 151 | 171 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 816 | K | 31.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 68% | 0.683 | 72% | 0.718 | S | S | * | * | cis | -157.1 | -176.1 | -0.7 | -129.7 | 166.5 | 176.4 | -84.3 | 0 | 110.3 | ||||
| 817 | E | 28.9 | Very low | 32.4 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | trans | 2.8 | 148.3 | 147.7 | -72.9 | 130.1 | -145.7 | 0 | 0 | 119.9 | ||||
| 818 | S | 28.1 | Very low | 32.6 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | cis | -178.2 | -169.6 | -1.5 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 819 | C | 28.6 | Very low | 32.6 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | 77.1 | 118.8 | 164.3 | -57.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 820 | L | 29.6 | Very low | 32.8 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | 69.1 | 134.8 | 93.1 | -62.5 | 164.6 | 0 | 0 | 0 | 112.6 | |||||
| 821 | V | 35 | Very low | 32.8 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | -161.5 | 145.6 | 59 | 162.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 822 | N | 34.1 | Very low | 32.9 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | 29.2 | 131.1 | 156 | -51.1 | -9.4 | 0 | 0 | 0 | 121.3 | ||||
| 823 | S | 36.4 | Very low | 33 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | cis | 70.8 | 160.1 | 43.4 | 91.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 824 | P | 43.8 | Very low | 33.1 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | cis | -147.8 | 173.2 | 6 | 41.3 | -20.7 | 0 | 0 | 0 | 119.6 | ||||
| 825 | T | 36.6 | Very low | 33.4 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | trans | 64.9 | 158.6 | 148.8 | 44.5 | 0 | 0 | 0 | 0 | 121.9 | L827 | T825-L827 HydrophobicContact CG2-CD1 3.57Å; T825-L827 HydrophobicContact CG2-CG 4.13Å | ||
| 826 | C | 34.2 | Very low | 33.4 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | cis | -124.1 | 149.4 | 12.4 | -96.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 827 | L | 32.4 | Very low | 33.3 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | cis | 75.7 | 134.1 | 48.2 | -65.8 | 175.2 | 0 | 0 | 0 | 113.5 | T825 | T825-L827 HydrophobicContact CG2-CD1 3.57Å; T825-L827 HydrophobicContact CG2-CG 4.13Å | ||
| 828 | K | 34.2 | Very low | 33.4 | Very low | 170 Ų | 170 | 124 Ų | 124 | 74% | 0.739 | 68% | 0.68 | S | S | * | * | cis | -151.5 | 137.8 | 15.2 | -99 | 141.7 | 178.1 | 178.9 | 0 | 109.9 | ||||
| 829 | S | 32.1 | Very low | 33.5 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 57% | 0.566 | 68% | 0.68 | S | S | * | * | 50.3 | 134 | 88 | 70.9 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 830 | F | 33 | Very low | 33.4 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 90% | 0.895 | 68% | 0.684 | S | S | * | * | -154.4 | -166.8 | 64.2 | -99.7 | -78.6 | 0 | 0 | 0 | 115.7 | |||||
| 831 | K | 31.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | trans | -154.8 | 170.8 | -162.1 | -155.1 | -174.3 | -173.5 | -173.6 | 0 | 112.6 | P1087 | K831-P1087 PolarHBondContact NZ-O 3.4Š| ||
| 832 | S | 33.7 | Very low | 33.1 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | 76.4 | 151.4 | 164.7 | 80.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 833 | D | 34.2 | Very low | 33 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 49% | 0.487 | 69% | 0.693 | S | S | . | * | cis | -164.1 | 172 | -14 | -114.7 | -2.3 | 0 | 0 | 0 | 111.5 | ||||
| 834 | N | 35.1 | Very low | 32.7 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 43% | 0.428 | 69% | 0.692 | S | S | . | * | trans | 81.1 | 132.6 | 150.4 | -80 | 30.3 | 0 | 0 | 0 | 125.3 | T1084 | N834-T1084 PolarHBondContact ND2-O 3.02Š| ||
| 835 | D | 36 | Very low | 32.1 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 48% | 0.481 | 70% | 0.695 | S | S | . | * | trans | 74 | 103.1 | 131.3 | -61 | -28.2 | 0 | 0 | 0 | 124.5 | T1084 | D835-T1084 PolarHBondContact OD1-OG1 3.14Å; D835-T1084 PolarHBondContact OD2-OG1 2.92Å | ||
| 836 | N | 32.2 | Very low | 32 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | 75.4 | 104.7 | 118.1 | -62 | -40.3 | 0 | 0 | 0 | 123.9 | |||||
| 837 | N | 30.5 | Very low | 32.1 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | 82.6 | 178.3 | 120.2 | -155.2 | 6.9 | 0 | 0 | 0 | 118 | |||||
| 838 | W | 30.8 | Very low | 32.4 | Very low | 223 Ų | 223 | 133.1 Ų | 133.1 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | trans | 73.4 | 142.5 | -170.6 | -58.2 | 59.4 | 0 | 0 | 0 | 114.1 | ||||
| 839 | I | 28.5 | Very low | 32.4 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | cis | 179.1 | 147.3 | -35.4 | -104.6 | 161.5 | 0 | 0 | 0 | 104.5 | ||||
| 840 | T | 27.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 77% | 0.767 | 72% | 0.716 | S | S | * | * | trans | -54 | 142.5 | -175.6 | 52.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 841 | R | 30.1 | Very low | 32.5 | Very low | 239 Ų | 239 | 132.7 Ų | 132.7 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | trans | -174.3 | 124.9 | 136.9 | -95.6 | 159.1 | -173.2 | -127.8 | 1.5 | 106.6 | ||||
| 842 | S | 27.8 | Very low | 32.6 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | cis | 87.2 | 116.5 | 46.5 | 78.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 843 | G | 32.3 | Very low | 32.7 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | trans | 115.8 | 142.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 844 | S | 30.1 | Very low | 32.4 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | cis | -173.2 | -171.6 | -16.6 | 35.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 845 | D | 32.1 | Very low | 32.1 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 66.9 | 84.6 | 149.2 | -50.8 | -39.3 | 0 | 0 | 0 | 119.4 | ||||
| 846 | L | 34.8 | Very low | 31.7 | Very low | 168 Ų | 168 | 147 Ų | 147 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | 166 | 135.2 | 92 | -89 | 155.5 | 0 | 0 | 0 | 113.5 | |||||
| 847 | M | 36.3 | Very low | 31.6 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -115.5 | 163.9 | 155.6 | -75.5 | -162.2 | 77 | 0 | 0 | 108.8 | ||||
| 848 | P | 38.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -143.9 | 130.1 | 107.3 | 33.8 | -18.1 | 0 | 0 | 0 | 116.6 | |||||
| 849 | Q | 33.6 | Very low | 31.9 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | 50.9 | 120.7 | 126.6 | -55.2 | -168.1 | 70.9 | 0 | 0 | 122.4 | |||||
| 850 | F | 30.1 | Very low | 32.7 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 44.7 | 148.1 | 117.2 | -70.8 | -65.4 | 0 | 0 | 0 | 121.6 | |||||
| 851 | P | 36.7 | Very low | 33.2 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -141.3 | 176.3 | 41.4 | 41.4 | -22.6 | 0 | 0 | 0 | 118.3 | ||||
| 852 | I | 34.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -109.4 | 138.9 | 169.4 | -57.2 | 166.5 | 0 | 0 | 0 | 108.4 | ||||
| 853 | P | 36.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -137.3 | 154.6 | 145.3 | 35.2 | -20.8 | 0 | 0 | 0 | 115.9 | ||||
| 854 | F | 28 | Very low | 34.8 | Very low | 193 Ų | 193 | 141 Ų | 141 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -54.2 | 138.1 | -178.5 | -86.9 | -108.4 | 0 | 0 | 0 | 118.1 | ||||
| 855 | S | 28.3 | Very low | 35 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | 31.6 | 126.1 | 136.3 | 68 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 856 | R | 27.4 | Very low | 35.1 | Very low | 238 Ų | 238 | 139.5 Ų | 139.5 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | -178.8 | 134.7 | 112 | -102.4 | 178.1 | 177.7 | -155.1 | -0.9 | 114.6 | |||||
| 857 | S | 28.9 | Very low | 34.9 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 26.8 | 122.8 | 139.1 | -169.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 858 | T | 34 | Very low | 34.9 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | -173.3 | 149.3 | 103.5 | 23.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 859 | S | 35.2 | Very low | 34.5 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -46.7 | -166.4 | 167.7 | -121.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 860 | P | 45.2 | Very low | 34.6 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | cis | -139.6 | 166.6 | -5.9 | 19.1 | 7.6 | 0 | 0 | 0 | 116.9 | ||||
| 861 | Y | 36.4 | Very low | 34.6 | Very low | 222 Ų | 222 | 139.2 Ų | 139.2 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | 173.7 | 152.1 | 104.9 | -101.4 | -72.3 | 0 | 0 | 0 | 114.6 | |||||
| 862 | H | 39 | Very low | 34.3 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -141.9 | -146 | -173.2 | -144.5 | -22.5 | 0 | 0 | 0 | 107.2 | H864 | H862-H864 PolarHBondContact CE1-O 3.03Å; H862-H864 VanDerWaalsContact CE1-O 3.3Å | ||
| 863 | P | 46.5 | Very low | 34.4 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 60% | 0.597 | 76% | 0.756 | S | S | * | * | cis | -96.4 | -163.9 | 1.6 | 44.1 | -39.4 | 0 | 0 | 0 | 111.5 | ||||
| 864 | H | 38.1 | Very low | 34.1 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | cis | -122.6 | -178.7 | -4.8 | -86 | -75.3 | 0 | 0 | 0 | 108.4 | H862 | H862-H864 PolarHBondContact CE1-O 3.03Å; H862-H864 VanDerWaalsContact CE1-O 3.3Å | ||
| 865 | G | 35.8 | Very low | 34.4 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | cis | 85.6 | 143.7 | 22.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 866 | L | 34.7 | Very low | 34.4 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -116.4 | 154.7 | -7 | -83.7 | 91.7 | 0 | 0 | 0 | 108.1 | ||||
| 867 | E | 29.8 | Very low | 34.4 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 68.5 | 135.5 | 55.6 | -57.2 | -175.3 | 152.8 | 0 | 0 | 113.1 | |||||
| 868 | I | 35.4 | Very low | 34.6 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | cis | -122.2 | 165.8 | 30.8 | -68.2 | 168.2 | 0 | 0 | 0 | 113.3 | ||||
| 869 | V | 31.5 | Very low | 34.3 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -113.4 | 154.7 | -171.2 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 870 | D | 35.3 | Very low | 34.1 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -148.5 | 161.1 | 141.1 | -147 | -21.7 | 0 | 0 | 0 | 110.8 | ||||
| 871 | E | 29.8 | Very low | 33.5 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -108 | 175.8 | -166.3 | -65 | -166 | 124.4 | 0 | 0 | 115.2 | ||||
| 872 | N | 31.4 | Very low | 33.3 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 98.8 | 88.7 | 163.3 | -55.2 | -77.9 | 0 | 0 | 0 | 119.5 | ||||
| 873 | A | 35.7 | Very low | 33 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -166.7 | 124.9 | 139.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 874 | S | 29.6 | Very low | 32.3 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -126.6 | 94.2 | -170.8 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 875 | I | 34.4 | Very low | 32 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -149.3 | 156.4 | 165 | 16.8 | 177.8 | 0 | 0 | 0 | 109.8 | ||||
| 876 | P | 28.8 | Very low | 31.8 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | -118 | 152.5 | -123.4 | 24.7 | -5.5 | 0 | 0 | 0 | 116.2 | S878 | P876-S878 PolarHBondContact O-N 2.64Š| |||
| 877 | V | 27.3 | Very low | 31.9 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | -79.2 | 106.8 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | K879 | V877-K879 HydrophobicContact CG1-CG 4.26Å; V877-K879 PolarHBondContact O-N 3.08Å | ||
| 878 | S | 32.2 | Very low | 31.9 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -76 | 84.4 | 175.1 | 47 | 0 | 0 | 0 | 0 | 112.3 | P876 | P876-S878 PolarHBondContact O-N 2.64Š| ||
| 879 | K | 28.4 | Very low | 32 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -77.2 | 154.9 | 162.3 | -65.8 | -175 | 178.1 | 178 | 0 | 111.1 | V877 | V877-K879 HydrophobicContact CG1-CG 4.26Å; V877-K879 PolarHBondContact O-N 3.08Å | ||
| 880 | H | 31.6 | Very low | 32.5 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | 70.4 | 122.4 | 165.1 | -54.2 | -71.8 | 0 | 0 | 0 | 118.9 | ||||
| 881 | S | 31.5 | Very low | 32.6 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -129.7 | 111 | 137.3 | -172.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 882 | P | 32.2 | Very low | 33.3 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 48% | 0.481 | 77% | 0.774 | S | S | . | * | trans | -97.9 | -157.8 | 172.7 | 38.1 | -29.7 | 0 | 0 | 0 | 110.2 | ||||
| 883 | Y | 33.4 | Very low | 33.4 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 83.6 | 142.3 | 172.3 | -46.7 | -57.6 | 0 | 0 | 0 | 115.9 | ||||
| 884 | I | 32.1 | Very low | 33.4 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | cis | -147.9 | 144.3 | -6.3 | -125.2 | 160.6 | 0 | 0 | 0 | 110.7 | ||||
| 885 | T | 30.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -86.9 | 145 | 167.5 | 41.7 | 0 | 0 | 0 | 0 | 110.7 | E887 | T885-E887 PolarHBondContact O-N 2.91Å; T885-E887 VanDerWaalsContact O-N 3.08Å | ||
| 886 | Q | 32.7 | Very low | 33.8 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -82 | 90.1 | -168.4 | -167.6 | 165.2 | 3.2 | 0 | 0 | 112.9 | ||||
| 887 | E | 35.9 | Very low | 33.8 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 58% | 0.579 | 75% | 0.747 | S | S | * | * | trans | -74 | 142.1 | 175.3 | -67.4 | -164.7 | 144.1 | 0 | 0 | 113.4 | T885 | T885-E887 PolarHBondContact O-N 2.91Å; T885-E887 VanDerWaalsContact O-N 3.08Å | ||
| 888 | M | 31.2 | Very low | 34.1 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 95% | 0.951 | 75% | 0.745 | S | S | * | * | trans | -92.7 | 102 | 172.4 | -71 | 176.3 | 59.1 | 0 | 0 | 110.6 | ||||
| 889 | V | 37.3 | Very low | 34 | Very low | 103 Ų | 103 | 155 Ų | 155 | 62% | 0.624 | 74% | 0.742 | S | S | * | * | trans | -86.6 | 129.7 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 890 | D | 41.9 | Very low | 34.3 | Very low | 89 Ų | 89 | 155.2 Ų | 155.2 | 48% | 0.476 | 75% | 0.75 | S | S | . | * | trans | -77.8 | 170.9 | 177.1 | 98 | -33.7 | 0 | 0 | 0 | 112.7 | R892 G893 | D890-R892 PolarHBondContact O-N 3.47Å; D890-R892 WeakPolarHBondContact OD1-CA 3.29Å; D890-R892 WeakPolarHBondContact OD1-CB 3.4Å; D890-R892 PolarHBondContact OD1-N 3.29Å; D890-G893 PolarHBondContact O-N 2.98Å; D890-G893 PolarHBondContact OD1-N 2.59Å; D890-G893 VanDerWaalsContact OD1-N 3.09Å | ||
| 891 | R | 36.9 | Very low | 34.3 | Very low | 256 Ų | 256 | 155.1 Ų | 155.1 | 97% | 0.966 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 14.3 | 178.8 | -66.5 | -170.8 | 179.9 | -174.2 | 1.1 | 114.5 | ||
| 892 | R | 44.3 | Very low | 34.3 | Very low | 212 Ų | 212 | 155.5 Ų | 155.5 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 2.5 | 179.8 | -63 | -173.7 | 172.3 | -161.2 | -2.6 | 113.7 | D890 R894 | D890-R892 PolarHBondContact O-N 3.47Å; D890-R892 WeakPolarHBondContact OD1-CA 3.29Å; D890-R892 WeakPolarHBondContact OD1-CB 3.4Å; D890-R892 PolarHBondContact OD1-N 3.29Å; R892-R894 VanDerWaalsContact C-N 3.34Å; R892-R894 PolarHBondContact O-N 2.77Å |
| 893 | G | 33.2 | Very low | 34.1 | Very low | 60 Ų | 60 | 163.2 Ų | 163.2 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | trans | 65.1 | 31.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D890 | D890-G893 PolarHBondContact O-N 2.98Å; D890-G893 PolarHBondContact OD1-N 2.59Å; D890-G893 VanDerWaalsContact OD1-N 3.09Å | ||
| 894 | R | 36.3 | Very low | 33.9 | Very low | 207 Ų | 207 | 160.8 Ų | 160.8 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | -107.4 | 119.3 | 173.8 | -68.3 | -174.6 | 179.1 | -172.1 | -1.8 | 110.4 | R892 | R892-R894 VanDerWaalsContact C-N 3.34Å; R892-R894 PolarHBondContact O-N 2.77Å | ||
| 895 | I | 36.1 | Very low | 33.7 | Very low | 112 Ų | 112 | 165.1 Ų | 165.1 | 57% | 0.574 | 77% | 0.771 | S | S | * | * | trans | -76.6 | 126.7 | 167.7 | -56.7 | 172.8 | 0 | 0 | 0 | 107.6 | Y897 | I895-Y897 HydrophobicContact CG2-CD2 4.25Å; I895-Y897 HydrophobicContact CG2-CE2 4.08Å | ||
| 896 | Q | 35.2 | Very low | 33.5 | Very low | 170 Ų | 170 | 171 Ų | 171 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -112.9 | 108.3 | 165.8 | -78.3 | -164 | -26 | 0 | 0 | 109.1 | ||||
| 897 | Y | 29.7 | Very low | 33.4 | Very low | 206 Ų | 206 | 171 Ų | 171 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -62.4 | 138.6 | 156 | -72.3 | -93.2 | 0 | 0 | 0 | 108.3 | I895 | I895-Y897 HydrophobicContact CG2-CD2 4.25Å; I895-Y897 HydrophobicContact CG2-CE2 4.08Å | ||
| 898 | K | 34.3 | Very low | 33.3 | Very low | 172 Ų | 172 | 171.2 Ų | 171.2 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -144 | 105.6 | 176.9 | -162.1 | 175 | -173 | -178.1 | 0 | 110.2 | ||||
| 899 | D | 29.8 | Very low | 33.3 | Very low | 152 Ų | 152 | 165 Ų | 165 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -61 | 135.9 | 175.4 | -53.4 | -73.9 | 0 | 0 | 0 | 110.7 | ||||
| 900 | L | 33.6 | Very low | 32.9 | Very low | 165 Ų | 165 | 167.7 Ų | 167.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -135.7 | 72.6 | 169.7 | -77.2 | 177.2 | 0 | 0 | 0 | 109.3 | ||||
| 901 | H | 31.9 | Very low | 32.4 | Very low | 168 Ų | 168 | 170.5 Ų | 170.5 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 141.9 | 158.1 | -112.8 | -77.4 | 0 | 0 | 0 | 109.8 | ||||
| 902 | D | 31 | Very low | 32.1 | Very low | 129 Ų | 129 | 164.7 Ų | 164.7 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | 29.8 | 108.5 | 158.1 | -65.1 | -74 | 0 | 0 | 0 | 120.1 | ||||
| 903 | R | 28.9 | Very low | 31.4 | Very low | 236 Ų | 236 | 161.6 Ų | 161.6 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | -172.7 | 128.7 | 118.7 | -98.3 | 154 | -163.5 | -149.3 | 4 | 111.5 | |||||
| 904 | D | 29.6 | Very low | 31.1 | Very low | 153 Ų | 153 | 167.2 Ų | 167.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 160.4 | 97.5 | 135.1 | -85.8 | -9.3 | 0 | 0 | 0 | 110.3 | ||||
| 905 | Y | 28 | Very low | 30.8 | Very low | 240 Ų | 240 | 167.6 Ų | 167.6 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | trans | 179.1 | 70.1 | 149.7 | -107.7 | -65.3 | 0 | 0 | 0 | 111.7 | ||||
| 906 | R | 26.5 | Very low | 30.4 | Very low | 247 Ų | 247 | 169.9 Ų | 169.9 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | -159.8 | 79.1 | 167.6 | -145.3 | 176.3 | -168.5 | -176.1 | 2.8 | 115.1 | ||||
| 907 | E | 29.8 | Very low | 30.2 | Very low | 197 Ų | 197 | 171.7 Ų | 171.7 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -154.2 | 89.1 | 160 | -130.9 | 166.7 | -135.2 | 0 | 0 | 113.3 | ||||
| 908 | S | 33.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 167.5 Ų | 167.5 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | 173.8 | 134 | 157.8 | 31.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 909 | G | 31.3 | Very low | 30.4 | Very low | 62 Ų | 62 | 164.9 Ų | 164.9 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | cis | 170.1 | 106.5 | -13 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 910 | N | 29.7 | Very low | 30.5 | Very low | 160 Ų | 160 | 164.3 Ų | 164.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 67.5 | 151.4 | 175.3 | -44.5 | -31.2 | 0 | 0 | 0 | 113.9 | ||||
| 911 | L | 31 | Very low | 30.4 | Very low | 148 Ų | 148 | 162.4 Ų | 162.4 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | cis | -149.6 | 147.9 | 26.3 | -81 | 168.4 | 0 | 0 | 0 | 113.3 | ||||
| 912 | I | 29 | Very low | 30.3 | Very low | 135 Ų | 135 | 160.7 Ų | 160.7 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | 76 | 111.3 | 136 | -67.5 | 171.3 | 0 | 0 | 0 | 121.3 | ||||
| 913 | N | 30.3 | Very low | 30.3 | Very low | 146 Ų | 146 | 160.8 Ų | 160.8 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 80 | 127.9 | 140.5 | -65.5 | 15.4 | 0 | 0 | 0 | 123.8 | ||||
| 914 | E | 27.3 | Very low | 30.3 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -70.6 | 165.6 | 167.7 | -50.2 | 159.2 | 132.3 | 0 | 0 | 112.1 | ||||
| 915 | F | 29.8 | Very low | 30.3 | Very low | 216 Ų | 216 | 153.8 Ų | 153.8 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | -157.1 | 145.4 | 120.9 | -105.3 | -69.9 | 0 | 0 | 0 | 109.6 | |||||
| 916 | H | 27.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -124.1 | 143.5 | -172.5 | -160.4 | 2.5 | 0 | 0 | 0 | 107.8 | ||||
| 917 | F | 30.5 | Very low | 30.7 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | trans | -168.1 | 143.4 | 143.5 | -107.6 | -68.1 | 0 | 0 | 0 | 111.7 | ||||
| 918 | D | 31.4 | Very low | 30.6 | Very low | 118 Ų | 118 | 142 Ų | 142 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | trans | -112.6 | 163 | 174.2 | -139.3 | -32.2 | 0 | 0 | 0 | 107.3 | ||||
| 919 | P | 37.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | -156 | 169.3 | 80.7 | 40.6 | -20.4 | 0 | 0 | 0 | 118.5 | |||||
| 920 | N | 31.7 | Very low | 30.5 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -49.8 | 162 | 165.1 | -59.1 | -84.5 | 0 | 0 | 0 | 116 | ||||
| 921 | V | 32.4 | Very low | 30.6 | Very low | 124 Ų | 124 | 144 Ų | 144 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | 177.1 | 120.3 | 110.2 | 150.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 922 | N | 29.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 71.8 | 132 | 143.9 | -79.4 | -7 | 0 | 0 | 0 | 127.5 | ||||
| 923 | L | 31 | Very low | 30.6 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | 82.9 | 97.6 | 127.2 | -69.2 | 170 | 0 | 0 | 0 | 122.7 | |||||
| 924 | N | 27.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | 71 | 135.5 | 107.8 | -79.3 | 21.7 | 0 | 0 | 0 | 124.2 | |||||
| 925 | N | 30.2 | Very low | 30.6 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | trans | 86.1 | 103.3 | 135.3 | -68.8 | 7.6 | 0 | 0 | 0 | 121.8 | ||||
| 926 | N | 29.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | 94.9 | 145.8 | 115.1 | -68 | 2.4 | 0 | 0 | 0 | 122.1 | |||||
| 927 | H | 33.1 | Very low | 30.7 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | 81.9 | 110.9 | 153.4 | -71.2 | -52.4 | 0 | 0 | 0 | 120.4 | ||||
| 928 | N | 28.6 | Very low | 30.6 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | trans | -42.7 | 152.9 | 138.6 | -49 | -9.1 | 0 | 0 | 0 | 109.9 | ||||
| 929 | D | 33.3 | Very low | 30.8 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | -168.6 | 147.3 | 64.1 | -108.3 | -40.7 | 0 | 0 | 0 | 114 | |||||
| 930 | N | 30.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | trans | 63.3 | 156.5 | 146.7 | -68.4 | -53.1 | 0 | 0 | 0 | 123 | ||||
| 931 | N | 32 | Very low | 30.5 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | 79.9 | 101.2 | 155.9 | -65.2 | -29.2 | 0 | 0 | 0 | 120.8 | ||||
| 932 | N | 28.8 | Very low | 30.5 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | 82.2 | 125.5 | 122.2 | -80.1 | -17.5 | 0 | 0 | 0 | 122.1 | |||||
| 933 | T | 30.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | trans | 70 | 125.6 | 137.5 | 58 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 934 | N | 27.7 | Very low | 31 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | 86.2 | 131 | 131.5 | -83.1 | -12.3 | 0 | 0 | 0 | 122 | ||||
| 935 | I | 30.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | trans | 77.2 | 95.8 | 133.6 | -64.1 | 169.4 | 0 | 0 | 0 | 117.8 | ||||
| 936 | N | 28.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | 63.4 | 140.4 | 122.7 | -59 | -9.8 | 0 | 0 | 0 | 123.4 | |||||
| 937 | N | 30.1 | Very low | 31.3 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 66% | 0.658 | 67% | 0.672 | S | S | * | * | trans | 83.8 | 116 | 139.4 | -70.8 | -9.8 | 0 | 0 | 0 | 121.4 | ||||
| 938 | N | 29.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | 61.8 | 134.3 | 124 | -48.6 | -20 | 0 | 0 | 0 | 118.8 | |||||
| 939 | H | 34.8 | Very low | 31.6 | Very low | 149 Ų | 149 | 124 Ų | 124 | 69% | 0.69 | 64% | 0.64 | S | S | * | * | cis | -154.9 | 137.6 | 49 | -91.9 | -69.4 | 0 | 0 | 0 | 111.9 | ||||
| 940 | N | 31.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | 57.8 | 128.2 | 94.5 | -74 | -8.1 | 0 | 0 | 0 | 117.4 | |||||
| 941 | Y | 32.7 | Very low | 31.8 | Very low | 224 Ų | 224 | 121.8 Ų | 121.8 | 88% | 0.878 | 64% | 0.635 | S | S | * | * | -171.6 | 117.1 | 112 | -89.9 | -72 | 0 | 0 | 0 | 106.4 | |||||
| 942 | S | 31.8 | Very low | 31.8 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | 72.9 | 143.5 | 60.6 | -153.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 943 | S | 34.7 | Very low | 31.9 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | cis | -146.7 | -168.2 | 21.6 | 53 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 944 | T | 35.6 | Very low | 31.9 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | cis | -136.4 | -129.4 | 18.6 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 945 | W | 30.8 | Very low | 32.3 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 63% | 0.625 | 65% | 0.645 | S | S | * | * | trans | -150.9 | 156.3 | -158.8 | -28.9 | -64.2 | 0 | 0 | 0 | 111.3 | T313 N314 | T313-W945 WeakPolarHBondContact O-CB 3.37Å; N314-W945 HydrophobicContact CB-CB 4.44Å; N314-W945 HydrophobicContact CB-CD2 4.38Å; N314-W945 HydrophobicContact CB-CG 3.83Å; N314-W945 PolarHBondContact ND2-NE1 3.31Å | ||
| 946 | K | 32.9 | Very low | 32.4 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 41% | 0.413 | 65% | 0.649 | S | S | . | * | cis | 81 | 160.2 | 12.8 | -47.3 | 178.2 | 80.6 | -147.9 | 0 | 115.2 | E312 T313 | E312-K946 VanDerWaalsContact O-CE 3.27Å; E312-K946 WeakPolarHBondContact O-CE 3.4Å; E312-K946 PolarHBondContact O-NZ 2.72Å; E312-K946 WeakPolarHBondContact OE2-CE 3.41Å; E312-K946 IonicContact OE2-NZ 2.68Å; E312-K946 PolarHBondContact OE2-NZ 3.3Å; T313-K946 CarbonylContact O-C 3.56Å; T313-K946 WeakPolarHBondContact O-CA 3.49Å; T313-K946 VanDerWaalsContact O-CB 3.3Å; T313-K946 WeakPolarHBondContact O-CB 3.22Å | ||
| 947 | F | 30.8 | Very low | 32.6 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 43% | 0.434 | 64% | 0.643 | S | S | . | * | trans | -175.1 | 74.4 | 167.6 | -138.9 | -82.8 | 0 | 0 | 0 | 118.4 | N311 T313 N314 Q315 | N311-F947 HydrophobicContact CB-CB 3.81Å; N311-F947 WeakPolarHBondContact CB-O 3.19Å; N311-F947 CarbonylContact O-C 3.57Å; N311-F947 VanDerWaalsContact O-O 3.07Å; T313-F947 WeakPolarHBondContact O-CA 3.41Å; T313-F947 PolarHBondContact O-N 3.01Å; N314-F947 WeakPolarHBondContact O-CE2 3.35Å; N314-F947 VanDerWaalsContact O-CZ 3.23Å; N314-F947 WeakPolarHBondContact O-CZ 3.46Å; Q315-F947 HydrophobicContact CG-CZ 4.08Å | ||
| 948 | N | 32.1 | Very low | 32.8 | Very low | 58 Ų | 58 | 124.6 Ų | 124.6 | 31% | 0.31 | 65% | 0.652 | S | S | . | * | 78.2 | 162 | 109.6 | -136.4 | 5.4 | 0 | 0 | 0 | 114.5 | N311 E312 T313 | N311-N948 PolarHBondContact O-N 3.36Å; E312-N948 VanDerWaalsContact CA-N 3.32Å; T313-N948 VanDerWaalsContact N-N 3.11Å | |||
| 949 | Q | 35.8 | Very low | 32.8 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 55% | 0.551 | 66% | 0.659 | S | S | * | * | cis | -160.2 | 152.1 | 23.5 | -50 | 167.2 | 77.7 | 0 | 0 | 113.6 | ||||
| 950 | N | 32.5 | Very low | 32.6 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 65% | 0.652 | 66% | 0.658 | S | S | * | * | trans | 65 | 148.6 | 130.2 | -66.8 | -6.5 | 0 | 0 | 0 | 125.1 | ||||
| 951 | S | 33.6 | Very low | 32.4 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | cis | -175.8 | 161.1 | -10.1 | 51.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 952 | N | 32.9 | Very low | 32.2 | Very low | 148 Ų | 148 | 120.9 Ų | 120.9 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | trans | 74.8 | 144.5 | 154.9 | -60.2 | -15.6 | 0 | 0 | 0 | 119.1 | ||||
| 953 | C | 31 | Very low | 32.2 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | cis | -150.1 | 165.8 | 1.3 | -127.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 954 | F | 29.6 | Very low | 31.9 | Very low | 190 Ų | 190 | 124 Ų | 124 | 83% | 0.833 | 66% | 0.664 | S | S | * | * | trans | -93.7 | -164.9 | -179.2 | -96.4 | -102.3 | 0 | 0 | 0 | 111.9 | ||||
| 955 | P | 37.4 | Very low | 31.7 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | cis | -141.8 | 166.4 | 2.5 | 25.6 | 0.8 | 0 | 0 | 0 | 120.1 | ||||
| 956 | N | 32.5 | Very low | 31.6 | Very low | 141 Ų | 141 | 123.1 Ų | 123.1 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | trans | 66.1 | 154.9 | 135.3 | -70.7 | 3 | 0 | 0 | 0 | 123.8 | ||||
| 957 | S | 32.8 | Very low | 31.4 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 57% | 0.573 | 69% | 0.688 | S | S | * | * | cis | -172.8 | 163.3 | -15.8 | 53 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 958 | Q | 33.5 | Very low | 31.7 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | trans | 70.4 | 169.2 | 156.9 | -69.3 | 167.5 | 22.8 | 0 | 0 | 119.5 | ||||
| 959 | Q | 30.6 | Very low | 31.7 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | -168.7 | 165.1 | -69.3 | -136.9 | -174.3 | 4.1 | 0 | 0 | 110.3 | |||||
| 960 | L | 29.3 | Very low | 31.5 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | trans | 75.3 | 112 | 155.3 | -64.7 | 162.1 | 0 | 0 | 0 | 121.4 | ||||
| 961 | N | 27.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | 76.9 | 123.9 | 122.7 | -68 | 7.7 | 0 | 0 | 0 | 124.7 | |||||
| 962 | S | 29.5 | Very low | 31.9 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | 107.3 | 128.1 | 117.3 | 62.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 963 | S | 31.4 | Very low | 32 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 60.8 | 102.3 | 146.6 | 49.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 964 | N | 27.7 | Very low | 32.1 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | 45.9 | 149.2 | 119.3 | -72.5 | 1.5 | 0 | 0 | 0 | 123.3 | |||||
| 965 | S | 31.6 | Very low | 32.4 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | 80.9 | 134.1 | 152.8 | -173.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 966 | M | 28.6 | Very low | 32.3 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | cis | -167.7 | 168 | -20.5 | -158.3 | 176.8 | -55.4 | 0 | 0 | 109 | ||||
| 967 | Y | 29 | Very low | 32.3 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | 80.3 | 137.9 | 153.1 | -83.4 | -59.1 | 0 | 0 | 0 | 123.4 | ||||
| 968 | H | 36 | Very low | 32.2 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | trans | 68.8 | 143.6 | 144.2 | -78.7 | -58.2 | 0 | 0 | 0 | 120.2 | ||||
| 969 | H | 33.4 | Very low | 32.4 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | cis | -171.9 | 135.2 | -11.2 | -160.3 | 49.1 | 0 | 0 | 0 | 111.9 | ||||
| 970 | L | 30.8 | Very low | 32.4 | Very low | 124 Ų | 124 | 137 Ų | 137 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | trans | 50.8 | 162.7 | 156.8 | -57.1 | -177.2 | 0 | 0 | 0 | 119.8 | ||||
| 971 | Q | 34.9 | Very low | 32.5 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | cis | -153 | 166.9 | -9.4 | -124.4 | 168.4 | 0.5 | 0 | 0 | 109.6 | ||||
| 972 | P | 39.5 | Very low | 32.7 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | trans | -110.4 | 177.2 | -174.5 | 41.3 | -31.7 | 0 | 0 | 0 | 115.1 | ||||
| 973 | V | 34.9 | Very low | 32.8 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | -139.6 | 149.9 | 168.3 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 974 | E | 33 | Very low | 32.9 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -103.7 | 161.4 | -171.5 | -45.3 | 162.1 | 120.4 | 0 | 0 | 113.5 | ||||
| 975 | N | 35.6 | Very low | 33.1 | Very low | 113 Ų | 113 | 144 Ų | 144 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | 163 | 142.8 | 110.8 | -91.2 | -69.1 | 0 | 0 | 0 | 115.9 | |||||
| 976 | Q | 35.5 | Very low | 33.2 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 43.2 | 156 | 136.5 | -60.5 | 172.6 | 47.6 | 0 | 0 | 122.9 | ||||
| 977 | S | 32.3 | Very low | 33.5 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | cis | -170.8 | 159.1 | -29.3 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 978 | N | 32.1 | Very low | 33.7 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 69.7 | 147.9 | 146.7 | -68.6 | -24.7 | 0 | 0 | 0 | 125.1 | ||||
| 979 | H | 36.7 | Very low | 33.5 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 73% | 0.731 | 75% | 0.745 | S | S | * | * | trans | 87.8 | 116.6 | 145.8 | -73.2 | -48.8 | 0 | 0 | 0 | 124.9 | ||||
| 980 | M | 31.9 | Very low | 33.6 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | 79.9 | 100.4 | 126.1 | -66.5 | 173 | 75 | 0 | 0 | 122.5 | |||||
| 981 | S | 30.6 | Very low | 33.6 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 16.4 | 124.7 | 121.1 | -44.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 982 | R | 32.1 | Very low | 33.7 | Very low | 256 Ų | 256 | 136.7 Ų | 136.7 | 97% | 0.966 | 76% | 0.758 | S | S | * | * | -165.6 | 164.1 | 117.2 | -112.8 | 171.6 | 176.5 | 165.8 | -1.1 | 114.2 | |||||
| 983 | S | 31.1 | Very low | 33.3 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -98.5 | 155.1 | -177.7 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 984 | M | 33.2 | Very low | 33.4 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | 176.5 | 158.9 | 146.9 | -97.6 | 173.1 | -174 | 0 | 0 | 109.8 | ||||
| 985 | I | 33.6 | Very low | 33.3 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | -165.9 | 147.6 | -42.5 | -138.6 | 172.6 | 0 | 0 | 0 | 109.6 | ||||
| 986 | L | 32.9 | Very low | 33.1 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 60.4 | 160.2 | 169 | -89.7 | 69.2 | 0 | 0 | 0 | 117.3 | ||||
| 987 | S | 34.1 | Very low | 32.8 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | cis | -163.9 | 132.4 | -12.6 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 988 | Q | 33.3 | Very low | 32.8 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 62.5 | 151 | 145 | -54.6 | 171.9 | 27.9 | 0 | 0 | 117.5 | ||||
| 989 | T | 32.4 | Very low | 33 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -138.5 | 168.7 | 20.7 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 990 | S | 34.5 | Very low | 32.7 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -38.9 | 163.4 | 161 | 47.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 991 | S | 32.2 | Very low | 32.7 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | cis | 179.2 | 166.8 | -12.4 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 992 | A | 36.4 | Very low | 32.6 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 103 | 130.2 | 153 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 993 | D | 31.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -62.2 | 171.4 | 173.4 | -98.6 | -69.4 | 0 | 0 | 0 | 114.9 | ||||
| 994 | P | 36 | Very low | 32.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -149.5 | 158.4 | 33.3 | 41.5 | -20.2 | 0 | 0 | 0 | 121.4 | ||||
| 995 | S | 32 | Very low | 32.5 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | 77.3 | 134.6 | 135.8 | 69.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 996 | S | 30.1 | Very low | 32.2 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 85.8 | 153.1 | 155.7 | 80.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 997 | A | 31 | Very low | 32.3 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | 72.1 | 85.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 998 | Y | 32.3 | Very low | 32.2 | Very low | 230 Ų | 230 | 140 Ų | 140 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -138.2 | 113.9 | 136.9 | -88.9 | -85.3 | 0 | 0 | 0 | 106.4 | ||||
| 999 | N | 35.5 | Very low | 32.1 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | 59.4 | 95.3 | 56.9 | -78.7 | -16.2 | 0 | 0 | 0 | 114.8 | |||||
| 1000 | L | 30.1 | Very low | 32.1 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | 18.6 | 112.4 | 138.6 | -75.3 | 159.8 | 0 | 0 | 0 | 117.4 | ||||
| 1001 | L | 31.7 | Very low | 32 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -131.2 | 106 | 145.7 | -147 | 76.1 | 0 | 0 | 0 | 109.5 | ||||
| 1002 | M | 29 | Very low | 32 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | trans | -79.4 | 115.5 | 170.4 | -81.7 | -75.8 | -165.1 | 0 | 0 | 108.9 | P1004 | M1002-P1004 WeakPolarHBondContact O-CD 3.32Š| ||
| 1003 | H | 31.6 | Very low | 31.8 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -102.4 | 108 | 166.9 | -92.1 | -72.3 | 0 | 0 | 0 | 110.5 | L1005 | H1003-L1005 PolarHBondContact O-N 3.08Š| ||
| 1004 | P | 32 | Very low | 31.9 | Very low | 112 Ų | 112 | 150 Ų | 150 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -83.2 | 101.7 | 175.3 | 32.1 | -32 | 0 | 0 | 0 | 110.6 | M1002 R1006 | M1002-P1004 WeakPolarHBondContact O-CD 3.32Å; P1004-R1006 VanDerWaalsContact C-N 3.3Å; P1004-R1006 PolarHBondContact O-N 2.74Å | ||
| 1005 | L | 30.2 | Very low | 31.5 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -77.8 | 81.3 | 169.8 | -71.3 | 178.6 | 0 | 0 | 0 | 111 | H1003 | H1003-L1005 PolarHBondContact O-N 3.08Š| ||
| 1006 | R | 27.5 | Very low | 31.6 | Very low | 227 Ų | 227 | 154 Ų | 154 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 122.9 | 148.9 | -83.6 | -177.4 | 171.6 | 167.5 | -3.3 | 108 | P1004 | P1004-R1006 VanDerWaalsContact C-N 3.3Å; P1004-R1006 PolarHBondContact O-N 2.74Å | ||
| 1007 | I | 34.3 | Very low | 31.6 | Very low | 147 Ų | 147 | 157.5 Ų | 157.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -125.6 | 110.9 | 160.3 | -60.3 | 179.5 | 0 | 0 | 0 | 105.9 | ||||
| 1008 | N | 32.2 | Very low | 31.7 | Very low | 142 Ų | 142 | 158.3 Ų | 158.3 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -91.3 | 160.5 | 165.6 | -78.2 | 5.2 | 0 | 0 | 0 | 108.7 | ||||
| 1009 | N | 31.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -54.3 | 148.8 | 174.7 | -55.8 | -19.1 | 0 | 0 | 0 | 112 | ||||
| 1010 | E | 32.9 | Very low | 31.8 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | -160.3 | 164.5 | 101.4 | -104.7 | 165.4 | -152.2 | 0 | 0 | 111.4 | |||||
| 1011 | N | 32.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -92.8 | 157.2 | -157.4 | -56.6 | -47.3 | 0 | 0 | 0 | 113.6 | ||||
| 1012 | N | 32.2 | Very low | 31.6 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | trans | -149.5 | 125.1 | 140.7 | -109.1 | -38.1 | 0 | 0 | 0 | 110.2 | ||||
| 1013 | E | 31.6 | Very low | 31.8 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -86.8 | 154.1 | 179 | -59.3 | -179.6 | 120.8 | 0 | 0 | 111.4 | ||||
| 1014 | I | 33.5 | Very low | 31.8 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | trans | -124.1 | 126.9 | 147.9 | -63 | -176.8 | 0 | 0 | 0 | 107.6 | ||||
| 1015 | N | 28 | Very low | 31.7 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | trans | -73.4 | 135.7 | -168.6 | -102.5 | -107.5 | 0 | 0 | 0 | 113.4 | ||||
| 1016 | L | 34.1 | Very low | 32 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -126 | 141.7 | 145.6 | -84.4 | 174.1 | 0 | 0 | 0 | 109 | ||||
| 1017 | K | 30.4 | Very low | 32.3 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 147.5 | -153.3 | -65.6 | 176.5 | 178 | 176.8 | 0 | 114.5 | ||
| 1018 | P | 32.1 | Very low | 32.2 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 150.5 | 168.8 | 34.9 | -34.6 | 0 | 0 | 0 | 112.4 | ||
| 1019 | P | 40.8 | Very low | 32.3 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 116.7 | 154.9 | 32.7 | -25.7 | 0 | 0 | 0 | 110.1 | ||
| 1020 | N | 28.5 | Very low | 32.4 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 167 | 173.8 | -91.5 | -28.3 | 0 | 0 | 0 | 112.1 | ||
| 1021 | S | 31.1 | Very low | 32.5 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 82.2 | 98.3 | 143.1 | -172.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1022 | A | 27.5 | Very low | 32.4 | Very low | 76 Ų | 76 | 147.4 Ų | 147.4 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | 96.6 | 158.3 | 123.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1023 | Y | 32 | Very low | 32.4 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | trans | 86.7 | 96.6 | 171.1 | -61 | -75 | 0 | 0 | 0 | 119.8 | ||||
| 1024 | L | 32.5 | Very low | 33 | Very low | 172 Ų | 172 | 142 Ų | 142 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | 74.8 | 160.9 | 140.2 | -64.2 | 163 | 0 | 0 | 0 | 118.2 | ||||
| 1025 | A | 30.8 | Very low | 33.1 | Very low | 87 Ų | 87 | 142 Ų | 142 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -93.3 | 149.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1026 | D | 34.7 | Very low | 33.5 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | -175.5 | 148.1 | 114.1 | -113.6 | -38.4 | 0 | 0 | 0 | 115.7 | |||||
| 1027 | S | 34 | Very low | 33.3 | Very low | 100 Ų | 100 | 146.9 Ų | 146.9 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 60.8 | 144.2 | 147.3 | -67.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1028 | P | 32.2 | Very low | 33.5 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -87.7 | 154.8 | 172.1 | 36.5 | -35.1 | 0 | 0 | 0 | 113.4 | ||||
| 1029 | I | 35.2 | Very low | 33.5 | Very low | 164 Ų | 164 | 144 Ų | 144 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -86.6 | 121.5 | -176.1 | -61.1 | 177.7 | 0 | 0 | 0 | 112.3 | ||||
| 1030 | V | 32.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -108.7 | 140.9 | 170.3 | 176 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1031 | Y | 35.3 | Very low | 33.5 | Very low | 228 Ų | 228 | 141.3 Ų | 141.3 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 132.8 | 173.9 | -101.9 | -94.4 | 0 | 0 | 0 | 111.7 | ||
| 1032 | K | 31.9 | Very low | 34.1 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83 | 144.8 | -161.6 | -62.9 | 177 | 179.3 | 175.5 | 0 | 114.7 | ||
| 1033 | S | 31.6 | Very low | 34.3 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 155 | 151.9 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1034 | P | 43.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 135.9 | -178.6 | 1.8 | 20 | 0 | 0 | 0 | 114.1 | ||
| 1035 | F | 37.1 | Very low | 34 | Very low | 177 Ų | 177 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 62.6 | 141.6 | 144.9 | -66.1 | -58.8 | 0 | 0 | 0 | 120.5 | ||||
| 1036 | Q | 35 | Very low | 34 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | cis | -155 | 162.7 | -8.8 | -157.5 | 155.5 | 15.9 | 0 | 0 | 111.4 | ||||
| 1037 | Y | 30.7 | Very low | 33.7 | Very low | 218 Ų | 218 | 141 Ų | 141 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -88.4 | 148.5 | -178.5 | -106.9 | -106.7 | 0 | 0 | 0 | 114 | ||||
| 1038 | S | 34.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -161.6 | 147.4 | 133.9 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1039 | S | 32.3 | Very low | 33.4 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | -146.8 | 126.4 | -174.6 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1040 | A | 36.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -147.8 | 136.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1041 | S | 32 | Very low | 32.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -111.2 | -176.2 | 176 | -42 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1042 | P | 42.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | cis | -125 | 164.6 | -24.3 | 36.5 | -23 | 0 | 0 | 0 | 112.1 | ||||
| 1043 | S | 32.6 | Very low | 32.4 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -154.7 | 132.9 | 160.4 | -77.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1044 | V | 29.8 | Very low | 32.2 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -74.8 | 126.3 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1045 | T | 29.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | -167.1 | 136.9 | 137.6 | 7.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1046 | K | 30.3 | Very low | 30.9 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 62.5 | 113.8 | 156 | -63 | 176 | -177.2 | 176.6 | 0 | 118.9 | ||||
| 1047 | P | 28 | Very low | 30.5 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -75.6 | 146.8 | 156.6 | 33.8 | -32.5 | 0 | 0 | 0 | 110.3 | ||||
| 1048 | L | 33 | Very low | 30.3 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -127.1 | 57.6 | 165.7 | -77.9 | 176.9 | 0 | 0 | 0 | 111.7 | T1050 | L1048-T1050 WeakPolarHBondContact CD2-OG1 3.46Å; L1048-T1050 PolarHBondContact O-N 2.93Å; L1048-T1050 VanDerWaalsContact O-N 3.14Å | ||
| 1049 | T | 26.5 | Very low | 29.8 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -62.1 | 104.1 | 141.6 | -55.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1050 | T | 30 | Very low | 29.5 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | trans | -125.5 | 76 | 171.4 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | L1048 I1052 | L1048-T1050 WeakPolarHBondContact CD2-OG1 3.46Å; L1048-T1050 PolarHBondContact O-N 2.93Å; L1048-T1050 VanDerWaalsContact O-N 3.14Å; T1050-I1052 HydrophobicContact CG2-CG1 4.11Å; T1050-I1052 PolarHBondContact O-N 3.37Å | ||
| 1051 | T | 26.9 | Very low | 29.2 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | -44.4 | 99.7 | 148.7 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | I1053 | T1051-I1053 HydrophobicContact CG2-CB 4.46Å; T1051-I1053 HydrophobicContact CG2-CD1 3.44Å; T1051-I1053 VanDerWaalsContact CG2-CD1 3.44Å; T1051-I1053 HydrophobicContact CG2-CG1 3.55Å; T1051-I1053 PolarHBondContact O-N 2.85Å | ||
| 1052 | I | 28.8 | Very low | 29 | Very low | 148 Ų | 148 | 142 Ų | 142 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -83.2 | 95.3 | 162.1 | -60.9 | -175.8 | 0 | 0 | 0 | 107.4 | T1050 | T1050-I1052 HydrophobicContact CG2-CG1 4.11Å; T1050-I1052 PolarHBondContact O-N 3.37Å | ||
| 1053 | I | 28 | Very low | 28.6 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 64% | 0.641 | 75% | 0.752 | S | S | * | * | trans | -89.8 | 102.7 | 163 | -75.1 | 159.8 | 0 | 0 | 0 | 108.1 | T1051 R1055 | T1051-I1053 HydrophobicContact CG2-CB 4.46Å; T1051-I1053 HydrophobicContact CG2-CD1 3.44Å; T1051-I1053 VanDerWaalsContact CG2-CD1 3.44Å; T1051-I1053 HydrophobicContact CG2-CG1 3.55Å; T1051-I1053 PolarHBondContact O-N 2.85Å; I1053-R1055 HydrophobicContact CG2-CB 3.82Å | ||
| 1054 | S | 27.5 | Very low | 28.4 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | trans | -126.6 | 115.1 | 150.8 | -62.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1055 | R | 25.1 | Very low | 28.5 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 75% | 0.751 | 74% | 0.742 | S | S | * | * | cis | 65.4 | 26.6 | 19.9 | -142.4 | -177.4 | -176.3 | 151.3 | 5.2 | 116.1 | I1053 Y1057 | I1053-R1055 HydrophobicContact CG2-CB 3.82Å; R1055-Y1057 PolarHBondContact O-N 3.34Å | ||
| 1056 | D | 28.3 | Very low | 28.6 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -69.8 | 89.9 | 142.4 | -72.7 | -46.4 | 0 | 0 | 0 | 109.2 | ||||
| 1057 | Y | 27.1 | Very low | 28.8 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 70% | 0.698 | 74% | 0.739 | S | S | * | * | trans | -67.9 | 159.1 | 151.6 | -115.4 | -113 | 0 | 0 | 0 | 108.4 | R1055 | R1055-Y1057 PolarHBondContact O-N 3.34Š| ||
| 1058 | F | 25.8 | Very low | 29 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 93.5 | 99.3 | 173.8 | -68.6 | -95.2 | 0 | 0 | 0 | 119.7 | ||||
| 1059 | R | 25.2 | Very low | 28.7 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | 68.4 | 133 | 125.5 | -66.9 | -174.3 | -177.9 | -172.9 | -0.7 | 121.4 | |||||
| 1060 | S | 26.4 | Very low | 29 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 76.5 | 144.7 | 152.8 | 80.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1061 | R | 29.7 | Very low | 28.7 | Very low | 235 Ų | 235 | 150.9 Ų | 150.9 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | cis | -118.2 | 143.8 | 5.1 | -67.3 | 179.4 | 174.8 | -161.6 | -1 | 112.5 | ||||
| 1062 | P | 28.4 | Very low | 28.9 | Very low | 93 Ų | 93 | 156 Ų | 156 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | trans | -92.4 | 142.5 | 158.3 | 36.5 | -29.7 | 0 | 0 | 0 | 110.5 | I1064 | P1062-I1064 HydrophobicContact CB-CD1 4.33Å; P1062-I1064 HydrophobicContact CB-CG1 4.22Å; P1062-I1064 HydrophobicContact CG-CD1 4.2Å; P1062-I1064 HydrophobicContact CG-CG1 4.48Å; P1062-I1064 PolarHBondContact O-N 3.09Å | ||
| 1063 | D | 33 | Very low | 28.7 | Very low | 176 Ų | 176 | 154.5 Ų | 154.5 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | trans | -90.3 | 97.2 | 160.1 | -85.4 | -39.2 | 0 | 0 | 0 | 109.4 | ||||
| 1064 | I | 29.3 | Very low | 28.6 | Very low | 146 Ų | 146 | 153.1 Ų | 153.1 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -102.1 | 113.7 | 169 | -66.2 | 167.3 | 0 | 0 | 0 | 107.8 | P1062 | P1062-I1064 HydrophobicContact CB-CD1 4.33Å; P1062-I1064 HydrophobicContact CB-CG1 4.22Å; P1062-I1064 HydrophobicContact CG-CD1 4.2Å; P1062-I1064 HydrophobicContact CG-CG1 4.48Å; P1062-I1064 PolarHBondContact O-N 3.09Å | ||
| 1065 | S | 32.3 | Very low | 28.6 | Very low | 108 Ų | 108 | 157.5 Ų | 157.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -114.8 | 98.9 | 149.1 | 47.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1066 | S | 30.7 | Very low | 29 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 80.7 | 126 | 96.7 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1067 | A | 33.7 | Very low | 29 | Very low | 88 Ų | 88 | 152.5 Ų | 152.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -152.9 | 163.2 | 3.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1068 | S | 32.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 50.7 | 124.3 | 156.5 | -56.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1069 | R | 28 | Very low | 29.7 | Very low | 237 Ų | 237 | 148.9 Ų | 148.9 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | cis | 83.6 | 148.7 | 43.2 | -77.9 | -166.2 | 160.1 | -153.1 | -2.2 | 115.7 | ||||
| 1070 | Q | 31.3 | Very low | 30 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 80.7 | 122.3 | 175.6 | -66.9 | 162.6 | -33.3 | 0 | 0 | 114.3 | ||||
| 1071 | Y | 25.1 | Very low | 30.3 | Very low | 212 Ų | 212 | 147 Ų | 147 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | cis | 83.9 | 144.1 | 37.4 | -81.8 | -91.2 | 0 | 0 | 0 | 114.8 | ||||
| 1072 | Y | 29.4 | Very low | 30.3 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | 70.7 | 134.2 | -173.1 | -65.7 | -93.4 | 0 | 0 | 0 | 113.7 | ||||
| 1073 | V | 25.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | cis | 124.9 | 146.4 | 9.1 | 157.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1074 | S | 25.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 137 Ų | 137 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | 65.6 | 112.5 | 168.3 | 54.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1075 | Q | 27.7 | Very low | 30.5 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | 58.2 | 111.9 | 126.5 | -57.8 | 178 | 15.7 | 0 | 0 | 120.4 | |||||
| 1076 | S | 32.2 | Very low | 30.3 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | 173.9 | 110.5 | 102.8 | 38 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1077 | N | 30.2 | Very low | 30.6 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | 78 | 128.8 | 85.1 | -90.3 | 0.8 | 0 | 0 | 0 | 114.3 | |||||
| 1078 | N | 32 | Very low | 30.4 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | trans | 72.5 | 140 | 156.9 | -58.9 | -19.4 | 0 | 0 | 0 | 117 | ||||
| 1079 | H | 34.5 | Very low | 30.2 | Very low | 134 Ų | 134 | 148.8 Ų | 148.8 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | cis | -156.4 | 152.5 | 0.8 | -119 | 18.4 | 0 | 0 | 0 | 109.6 | ||||
| 1080 | F | 31.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | trans | 49.2 | 133.2 | 139.6 | -70.4 | -132.6 | 0 | 0 | 0 | 118.2 | ||||
| 1081 | N | 32.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | cis | -162.3 | 160.1 | 22.5 | -116 | -4.7 | 0 | 0 | 0 | 113.4 | ||||
| 1082 | T | 30.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | 9.1 | 146.3 | 132.2 | 6.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1083 | T | 32.3 | Very low | 30.7 | Very low | 104 Ų | 104 | 135 Ų | 135 | 64% | 0.638 | 73% | 0.725 | S | S | * | * | cis | -160.5 | 148.2 | 34.2 | -74.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1084 | T | 31.1 | Very low | 31.2 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 49% | 0.485 | 72% | 0.722 | S | S | . | * | trans | -66.3 | 127.1 | 163.3 | -16.1 | 0 | 0 | 0 | 0 | 112 | N834 D835 | N834-T1084 PolarHBondContact ND2-O 3.02Å; D835-T1084 PolarHBondContact OD1-OG1 3.14Å; D835-T1084 PolarHBondContact OD2-OG1 2.92Å | ||
| 1085 | R | 30.6 | Very low | 31.6 | Very low | 226 Ų | 226 | 138 Ų | 138 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | -137.4 | 140.2 | 164.8 | -100.4 | -169 | 172.7 | -167.6 | -2.4 | 113.2 | ||||
| 1086 | R | 28 | Very low | 32 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -107.8 | -170.5 | 178.1 | -114.7 | -165.4 | 173.5 | -165.4 | -0.4 | 110.5 | ||||
| 1087 | P | 37.5 | Very low | 32 | Very low | 83 Ų | 83 | 139 Ų | 139 | 54% | 0.539 | 73% | 0.725 | S | S | . | * | trans | -101.2 | 153.2 | -141 | 38.3 | -37.4 | 0 | 0 | 0 | 116.4 | K831 | K831-P1087 PolarHBondContact NZ-O 3.4Š| ||
| 1088 | T | 29.8 | Very low | 32 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | -150.2 | 156 | 155.2 | -1.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1089 | L | 28.3 | Very low | 31.9 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -82.1 | 154.7 | 176.6 | -53.9 | 88.4 | 0 | 0 | 0 | 111.6 | ||||
| 1090 | S | 30.1 | Very low | 31.7 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -157.7 | 169.3 | 142.4 | 57.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1091 | I | 28 | Very low | 32.1 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | -124 | 125.5 | -164.4 | -64 | 168.2 | 0 | 0 | 0 | 111.6 | ||||
| 1092 | A | 32.3 | Very low | 32 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -163.4 | 128.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1093 | Q | 34.9 | Very low | 32.2 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 59.8 | 124.6 | 71.9 | -68.9 | -165.5 | 1.5 | 0 | 0 | 112.7 | |||||
| 1094 | N | 34.9 | Very low | 32.3 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | cis | -153 | 160.9 | 11.6 | -91.4 | -34.1 | 0 | 0 | 0 | 113.6 | ||||
| 1095 | N | 34.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 67 | 147.8 | 160.1 | -60.1 | -24.4 | 0 | 0 | 0 | 117.6 | ||||
| 1096 | S | 36.1 | Very low | 32.5 | Very low | 91 Ų | 91 | 147.6 Ų | 147.6 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | cis | -144.6 | 169.4 | 14.1 | 54 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1097 | Y | 31.8 | Very low | 32.9 | Very low | 224 Ų | 224 | 145.7 Ų | 145.7 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | 64.3 | 77.5 | 170.9 | -59.4 | -72.5 | 0 | 0 | 0 | 118.9 | ||||
| 1098 | L | 30.5 | Very low | 32.6 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -125 | 133 | 153.4 | -88.1 | 169.4 | 0 | 0 | 0 | 109.9 | ||||
| 1099 | K | 31.3 | Very low | 32.6 | Very low | 215 Ų | 215 | 150.1 Ų | 150.1 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -159.1 | 108 | 164.4 | -121.3 | 175.7 | -175.6 | 177.3 | 0 | 111.2 | ||||
| 1100 | A | 29.2 | Very low | 32.7 | Very low | 90 Ų | 90 | 148.5 Ų | 148.5 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -108.7 | 144.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1101 | P | 41.4 | Very low | 32.8 | Very low | 129 Ų | 129 | 151 Ų | 151 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -86 | 113.2 | 172.4 | 32.1 | -30.2 | 0 | 0 | 0 | 111.2 | ||||
| 1102 | F | 30.3 | Very low | 33 | Very low | 209 Ų | 209 | 145.9 Ų | 145.9 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -67.9 | 149.5 | 155.2 | -93.9 | -102.4 | 0 | 0 | 0 | 110 | ||||
| 1103 | S | 33.3 | Very low | 33.1 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -156.8 | 107.1 | 141.1 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1104 | K | 34.4 | Very low | 33 | Very low | 181 Ų | 181 | 147 Ų | 147 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | 41.6 | 128.7 | 140.9 | -52.1 | -179.6 | -178.3 | -175 | 0 | 120 | ||||
| 1105 | S | 32.1 | Very low | 32.9 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | cis | 79.4 | 100.8 | 29.3 | 88.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1106 | E | 35.2 | Very low | 33.2 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -138.4 | 114.6 | 144.2 | -70.1 | -161.7 | 145.7 | 0 | 0 | 106.9 | ||||
| 1107 | H | 35.6 | Very low | 33.2 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | 69.7 | 106.8 | 94.3 | -78.4 | -80.5 | 0 | 0 | 0 | 113.2 | |||||
| 1108 | N | 30.3 | Very low | 33.3 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 61.1 | 87.3 | 63.5 | -79.7 | -1.9 | 0 | 0 | 0 | 115.5 | |||||
| 1109 | L | 31.1 | Very low | 33.7 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -155.8 | 108.4 | 147.2 | -89 | 173.2 | 0 | 0 | 0 | 105 | ||||
| 1110 | L | 29.4 | Very low | 34 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | 77.9 | 78.3 | 18.5 | -139.9 | -176.4 | 0 | 0 | 0 | 114.8 | A1112 | L1110-A1112 HydrophobicContact CD2-CB 4.04Š| ||
| 1111 | H | 32.7 | Very low | 34.3 | Very low | 177 Ų | 177 | 144 Ų | 144 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | trans | -151.6 | 118.2 | 148 | -87.2 | -75.4 | 0 | 0 | 0 | 105.9 | ||||
| 1112 | A | 32.2 | Very low | 33.9 | Very low | 59 Ų | 59 | 150.1 Ų | 150.1 | 49% | 0.488 | 78% | 0.776 | S | S | . | * | cis | 80.9 | 86.3 | 26.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1110 | L1110-A1112 HydrophobicContact CD2-CB 4.04Š| ||
| 1113 | V | 34.1 | Very low | 34.1 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -161 | 102 | 147.3 | -97.8 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1114 | D | 32.2 | Very low | 33.9 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | 75.5 | 134.9 | 55 | -66.1 | -45.4 | 0 | 0 | 0 | 114.8 | |||||
| 1115 | S | 34.4 | Very low | 33.8 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 77.5 | 139.8 | 169.2 | -53.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 1116 | L | 39.9 | Very low | 33.7 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | cis | -160.9 | -170.2 | -16.8 | -118.9 | 170.4 | 0 | 0 | 0 | 108.2 | ||||
| 1117 | P | 36.3 | Very low | 33.8 | Very low | 94 Ų | 94 | 151.9 Ų | 151.9 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | -112.9 | 174.4 | -122.6 | 44.9 | -34 | 0 | 0 | 0 | 117.8 | |||||
| 1118 | E | 34.1 | Very low | 33.7 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 33.7 | 125.6 | 141.3 | -64.3 | 174.5 | 139.9 | 0 | 0 | 121.9 | ||||
| 1119 | L | 37.4 | Very low | 34.1 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -151 | 158.2 | 141 | -117 | 167.2 | 0 | 0 | 0 | 110.4 | ||||
| 1120 | E | 37.5 | Very low | 34.4 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -100.4 | 152.9 | -146.9 | -71.5 | -171.3 | 75.5 | 0 | 0 | 118.7 | ||||
| 1121 | N | 36.2 | Very low | 34.8 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 42.5 | 101.1 | 137.4 | -68.9 | -51.3 | 0 | 0 | 0 | 120.4 | ||||
| 1122 | R | 34.1 | Very low | 35.2 | Very low | 258 Ų | 258 | 151.1 Ų | 151.1 | 97% | 0.974 | 79% | 0.792 | S | S | * | * | -134.7 | 158.1 | 129.8 | -73.3 | -158.6 | 175.7 | -156.6 | -2.3 | 110.7 | |||||
| 1123 | R | 32.7 | Very low | 35.3 | Very low | 211 Ų | 211 | 158.2 Ų | 158.2 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -132.8 | 142.8 | -151.6 | -155.8 | -177.6 | -172.8 | -171.7 | 4.5 | 111.9 | ||||
| 1124 | F | 30.3 | Very low | 35.3 | Very low | 174 Ų | 174 | 159.1 Ų | 159.1 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | 67.9 | 149.1 | 179.8 | -57.9 | -78.2 | 0 | 0 | 0 | 115.5 | ||||
| 1125 | Q | 31.2 | Very low | 35.2 | Very low | 181 Ų | 181 | 160.2 Ų | 160.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | cis | -125.2 | 159.6 | 6.6 | -65 | 178.3 | 9.9 | 0 | 0 | 112 | ||||
| 1126 | P | 31.5 | Very low | 35.4 | Very low | 111 Ų | 111 | 164.4 Ų | 164.4 | 72% | 0.721 | 83% | 0.832 | S | S | * | * | trans | -90 | 118.6 | 178.4 | 33.4 | -31.5 | 0 | 0 | 0 | 113.7 | ||||
| 1127 | T | 36 | Very low | 35.2 | Very low | 140 Ų | 140 | 165 Ų | 165 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | -95.5 | 123.4 | 160.5 | 47.9 | 0 | 0 | 0 | 0 | 109.5 | E1129 | T1127-E1129 PolarHBondContact O-N 3.03Š| ||
| 1128 | V | 35 | Very low | 35.1 | Very low | 141 Ų | 141 | 168.7 Ų | 168.7 | 86% | 0.855 | 85% | 0.845 | S | S | * | * | trans | -94.5 | 92.4 | -172.9 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1129 | E | 37.2 | Very low | 35.2 | Very low | 184 Ų | 184 | 167.8 Ų | 167.8 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -135.4 | 164.7 | 163.1 | -65.2 | -164.2 | 134.3 | 0 | 0 | 109.8 | T1127 | T1127-E1129 PolarHBondContact O-N 3.03Š| ||
| 1130 | D | 38.4 | Very low | 35 | Very low | 152 Ų | 152 | 167.4 Ų | 167.4 | 81% | 0.813 | 84% | 0.84 | S | S | * | * | trans | 58.4 | 80.2 | 179.4 | -73.6 | -11.6 | 0 | 0 | 0 | 119.6 | S1132 | D1130-S1132 PolarHBondContact O-N 3.29Š| ||
| 1131 | D | 37.9 | Very low | 34.9 | Very low | 174 Ų | 174 | 168 Ų | 168 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | trans | -79.3 | 101.5 | 145.1 | -99.1 | -36.7 | 0 | 0 | 0 | 109 | ||||
| 1132 | S | 39.8 | Very low | 34.8 | Very low | 104 Ų | 104 | 170.3 Ų | 170.3 | 73% | 0.727 | 86% | 0.855 | S | S | * | * | trans | -86.7 | 156.1 | -175.3 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | D1130 L1134 | D1130-S1132 PolarHBondContact O-N 3.29Å; S1132-L1134 PolarHBondContact O-N 3.46Å; S1132-L1134 VanDerWaalsContact O-N 3.07Å | ||
| 1133 | Y | 34.6 | Very low | 34.8 | Very low | 208 Ų | 208 | 164.1 Ų | 164.1 | 82% | 0.816 | 85% | 0.847 | S | S | * | * | trans | -73.1 | 99.7 | -177.6 | -80.6 | -101 | 0 | 0 | 0 | 112.1 | L1135 | Y1133-L1135 PolarHBondContact O-N 3.03Š| ||
| 1134 | L | 35.1 | Very low | 35 | Very low | 158 Ų | 158 | 160.5 Ų | 160.5 | 83% | 0.827 | 85% | 0.851 | S | S | * | * | trans | -86.4 | 101.8 | 165.8 | -130.6 | 164.6 | 0 | 0 | 0 | 109.8 | S1132 V1136 | S1132-L1134 PolarHBondContact O-N 3.46Å; S1132-L1134 VanDerWaalsContact O-N 3.07Å; L1134-V1136 HydrophobicContact CD2-CG2 4.32Å | ||
| 1135 | L | 30.6 | Very low | 35.4 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 84% | 0.838 | 86% | 0.858 | S | S | * | * | trans | -79.9 | 133 | 171 | -91.6 | 161.3 | 0 | 0 | 0 | 110.3 | Y1133 | Y1133-L1135 PolarHBondContact O-N 3.03Š| ||
| 1136 | V | 37.4 | Very low | 35.8 | Very low | 199 Ų | 199 | 157.4 Ų | 157.4 | 100% | 1.206 | 86% | 0.859 | S | S | * | * | trans | -134.5 | 0 | 165.6 | -175.3 | 0 | 0 | 0 | 0 | 107.2 | L1134 | L1134-V1136 HydrophobicContact CD2-CG2 4.32Š|
Retrieved 1,136 of 1,136 residues in 190.3 ms
(Link to these results)