| 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 | 32.7 | Very low | 44.1 | Very low | 243 Ų | 243 | 123.3 Ų | 123.3 | 100% | 1.197 | 70% | 0.696 | S | S | * | * | 0 | 90.4 | 0 | -102.2 | -174.6 | -89.4 | 0 | 0 | 105.2 | |||||
| 2 | D | 26.4 | Very low | 46.7 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -88.1 | 142.5 | -166.6 | -71.8 | -37.4 | 0 | 0 | 0 | 111.8 | L4 | D2-L4 PolarHBondContact O-N 3.18Š| ||
| 3 | A | 24.3 | Very low | 49 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 87% | 0.868 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 15.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 4 | L | 26.2 | Very low | 51.5 | Low | 150 Ų | 150 | 112.9 Ų | 112.9 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -14.6 | 178.6 | -90.3 | 147 | 0 | 0 | 0 | 113.7 | D2 | D2-L4 PolarHBondContact O-N 3.18Š|
| 5 | D | 31.2 | Very low | 53.8 | Low | 135 Ų | 135 | 105.5 Ų | 105.5 | 72% | 0.722 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -90.1 | -12.8 | -179.1 | -114.1 | -14 | 0 | 0 | 0 | 114.3 | S7 | D5-S7 VanDerWaalsContact C-N 3.27Å; D5-S7 PolarHBondContact O-N 2.83Å |
| 6 | A | 29 | Very low | 55.3 | Low | 82 Ų | 82 | 99.5 Ų | 99.5 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -74.5 | -13.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 7 | S | 39.1 | Very low | 56.8 | Low | 105 Ų | 105 | 94.5 Ų | 94.5 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -86.7 | 1 | -174.3 | 71.2 | 0 | 0 | 0 | 0 | 115.4 | D5 | D5-S7 VanDerWaalsContact C-N 3.27Å; D5-S7 PolarHBondContact O-N 2.83Å |
| 8 | K | 51.7 | Low | 58.4 | Low | 176 Ų | 176 | 89.3 Ų | 89.3 | 77% | 0.765 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -114.4 | 4.4 | -176.6 | -76.7 | -174.9 | 177.7 | 177.7 | 0 | 115.3 | ||
| 9 | L | 64.1 | Low | 59.7 | Low | 148 Ų | 148 | 85.9 Ų | 85.9 | 78% | 0.775 | 47% | 0.472 | S | S | * | . | trans | -86.4 | 118.6 | 176.9 | -79.9 | 152.1 | 0 | 0 | 0 | 109.7 | D11 | L9-D11 PolarHBondContact O-N 2.95Š| ||
| 10 | L | 78.1 | Confident | 60.8 | Low | 24 Ų | 24 | 83.9 Ų | 83.9 | 13% | 0.126 | 46% | 0.458 | C | S | . | . | trans | -57.4 | 127.4 | 173.3 | 172.8 | 68.5 | 0 | 0 | 0 | 109.9 | E12 Y15 L19 M27 | L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.67Å; L10-Y15 HydrophobicContact CD1-CD2 3.83Å; L10-Y15 HydrophobicContact CD1-CE2 4.41Å; L10-L19 HydrophobicContact CD2-CD1 4.06Å; L10-L19 HydrophobicContact CD2-CD2 3.48Å; L10-L19 VanDerWaalsContact CD2-CD2 3.48Å; L10-L19 HydrophobicContact CD2-CG 4.35Å; L10-M27 HydrophobicContact CD1-CB 3.99Å; L10-M27 HydrophobicContact CD1-CE 4.23Å; L10-M27 HydrophobicContact CD2-CB 4.29Å | ||
| 11 | D | 82 | Confident | 61.9 | Low | 47 Ų | 47 | 80 Ų | 80 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | trans | -73.6 | 86.5 | 175.5 | -172.2 | -24.5 | 0 | 0 | 0 | 110 | L9 E13 L14 Y15 R474 | L9-D11 PolarHBondContact O-N 2.95Å; D11-E13 PolarHBondContact O-N 2.85Å; D11-E13 PolarHBondContact OD1-N 2.95Å; D11-L14 HydrophobicContact CB-CB 4.1Å; D11-L14 VanDerWaalsContact CG-CB 3.48Å; D11-L14 PolarHBondContact O-N 2.89Å; D11-L14 WeakPolarHBondContact OD1-CB 3.28Å; D11-L14 PolarHBondContact OD1-N 2.8Å; D11-Y15 HydrophobicContact CB-CD2 4.28Å; D11-Y15 HydrophobicContact CB-CE2 4.33Å; D11-Y15 VanDerWaalsContact O-CD2 3.23Å; D11-Y15 WeakPolarHBondContact O-CD2 3.41Å; D11-Y15 PolarHBondContact O-N 2.95Å; D11-R474 IonicContact OD1-NE 3.2Å; D11-R474 IonicContact OD2-CZ 3.85Å; D11-R474 IonicContact OD2-NE 2.85Å; D11-R474 PolarHBondContact OD2-NE 3.32Å; D11-R474 IonicContact OD2-NH2 3.49Å; D11-R474 PolarHBondContact OD2-NH2 2.66Å | ||
| 12 | E | 75.6 | Confident | 64.6 | Low | 117 Ų | 117 | 68.7 Ų | 68.7 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.7 | -177.1 | -63.8 | -170.1 | 173.5 | 0 | 0 | 113.2 | L10 S16 L19 | L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.67Å; E12-S16 WeakPolarHBondContact O-CA 3.45Å; E12-S16 VanDerWaalsContact O-CB 3.26Å; E12-S16 WeakPolarHBondContact O-CB 3.39Å; E12-S16 PolarHBondContact O-N 3.44Å; E12-L19 HydrophobicContact CB-CD1 4.18Å; E12-L19 HydrophobicContact CG-CD1 4.17Å |
| 13 | E | 76.7 | Confident | 67.3 | Low | 86 Ų | 86 | 63.1 Ų | 63.1 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -48 | 178.6 | -164.4 | -169.3 | 155.2 | 0 | 0 | 110.7 | D11 R474 S475 | D11-E13 PolarHBondContact O-N 2.85Å; D11-E13 PolarHBondContact OD1-N 2.95Å; E13-R474 HydrophobicContact CG-CB 4.34Å; E13-R474 HydrophobicContact CG-CG 4.5Å; E13-R474 VanDerWaalsContact OE1-CB 3.28Å; E13-R474 WeakPolarHBondContact OE1-CB 3.29Å; E13-R474 VanDerWaalsContact OE1-CD 3.29Å; E13-R474 WeakPolarHBondContact OE1-CD 3.21Å; E13-R474 VanDerWaalsContact OE2-CD 3.25Å; E13-R474 WeakPolarHBondContact OE2-CD 3.47Å; E13-R474 IonicContact OE2-NE 3.56Å; E13-S475 WeakPolarHBondContact O-CA 3.33Å |
| 14 | L | 83.6 | Confident | 70.1 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -47.7 | 176.4 | 177.5 | 62 | 0 | 0 | 0 | 111.8 | D11 L477 S478 | D11-L14 HydrophobicContact CB-CB 4.1Å; D11-L14 VanDerWaalsContact CG-CB 3.48Å; D11-L14 PolarHBondContact O-N 2.89Å; D11-L14 WeakPolarHBondContact OD1-CB 3.28Å; D11-L14 PolarHBondContact OD1-N 2.8Å; L14-L477 HydrophobicContact CD1-CB 3.71Å; L14-S478 VanDerWaalsContact O-CB 3.25Å; L14-S478 WeakPolarHBondContact O-CB 3.4Å; L14-S478 PolarHBondContact O-OG 2.63Å |
| 15 | Y | 86 | Confident | 73.1 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8.8 | -174.9 | -59.4 | -65.7 | 0 | 0 | 0 | 113.8 | L10 D11 R17 Q18 L19 M27 G55 N99 | L10-Y15 HydrophobicContact CD1-CD2 3.83Å; L10-Y15 HydrophobicContact CD1-CE2 4.41Å; D11-Y15 HydrophobicContact CB-CD2 4.28Å; D11-Y15 HydrophobicContact CB-CE2 4.33Å; D11-Y15 VanDerWaalsContact O-CD2 3.23Å; D11-Y15 WeakPolarHBondContact O-CD2 3.41Å; D11-Y15 PolarHBondContact O-N 2.95Å; Y15-R17 VanDerWaalsContact C-N 3.33Å; Y15-R17 PolarHBondContact O-N 2.76Å; Y15-R17 VanDerWaalsContact O-N 3.13Å; Y15-Q18 CarbonylContact O-C 3.6Å; Y15-Q18 PolarHBondContact O-N 2.87Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.06Å; Y15-M27 HydrophobicContact CD1-CE 3.85Å; Y15-M27 HydrophobicContact CD2-CE 4.19Å; Y15-M27 HydrophobicContact CE1-CE 4.2Å; Y15-M27 HydrophobicContact CG-CE 3.85Å; Y15-G55 WeakPolarHBondContact OH-CA 3.47Å; Y15-N99 PolarHBondContact OH-ND2 2.93Å |
| 16 | S | 78.5 | Confident | 75.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -44.2 | -52.6 | -174 | 175.3 | 0 | 0 | 0 | 0 | 113.8 | E12 L19 Y20 | E12-S16 WeakPolarHBondContact O-CA 3.45Å; E12-S16 VanDerWaalsContact O-CB 3.26Å; E12-S16 WeakPolarHBondContact O-CB 3.39Å; E12-S16 PolarHBondContact O-N 3.44Å; S16-L19 PolarHBondContact O-N 2.95Å; S16-Y20 WeakPolarHBondContact O-CD2 3.45Å; S16-Y20 WeakPolarHBondContact O-CE2 3.4Å |
| 17 | R | 79.9 | Confident | 79 | Confident | 15 Ų | 15 | 47 Ų | 47 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.5 | -31.4 | -175.9 | -53.6 | -48.6 | -172 | -123.4 | 0.8 | 113.3 | Y15 R479 D811 I849 A852 | Y15-R17 VanDerWaalsContact C-N 3.33Å; Y15-R17 PolarHBondContact O-N 2.76Å; Y15-R17 VanDerWaalsContact O-N 3.13Å; R17-R479 VanDerWaalsContact CG-CZ 3.5Å; R17-R479 VanDerWaalsContact CG-NH1 3.31Å; R17-D811 IonicContact CZ-OD1 2.65Å; R17-D811 IonicContact NH1-OD1 3.45Å; R17-D811 PolarHBondContact NH1-OD1 2.77Å; R17-D811 IonicContact NH2-OD1 3.67Å; R17-D811 PolarHBondContact NH2-OD1 3.47Å; R17-D811 IonicContact NH2-OD2 3.59Å; R17-D811 PolarHBondContact NH2-OD2 3.05Å; R17-I849 VanDerWaalsContact NE-CG2 3.33Å; R17-A852 CarbonylContact C-O 3.6Å; R17-A852 HydrophobicContact CB-CB 4.21Å; R17-A852 PolarHBondContact O-N 2.97Å |
| 18 | Q | 86.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75 | -33.4 | 177.2 | 175.3 | 177.8 | -22.9 | 0 | 0 | 111.5 | Y15 Y20 V21 L22 M27 M54 A852 | Y15-Q18 CarbonylContact O-C 3.6Å; Y15-Q18 PolarHBondContact O-N 2.87Å; Q18-Y20 VanDerWaalsContact C-N 3.25Å; Q18-Y20 PolarHBondContact O-N 2.92Å; Q18-V21 WeakPolarHBondContact O-CA 3.44Å; Q18-V21 WeakPolarHBondContact O-CB 3.32Å; Q18-V21 PolarHBondContact O-N 3.25Å; Q18-L22 HydrophobicContact CG-CD1 3.7Å; Q18-L22 HydrophobicContact CG-CG 4.33Å; Q18-L22 PolarHBondContact O-N 2.92Å; Q18-M27 HydrophobicContact CG-SD 3.96Å; Q18-M27 VanDerWaalsContact NE2-CE 3.29Å; Q18-M27 PolarHBondContact NE2-SD 3.26Å; Q18-M54 HydrophobicContact CG-SD 4.18Å; Q18-M54 PolarHBondContact NE2-O 3.32Å; Q18-M54 PolarHBondContact OE1-SD 2.76Å; Q18-A852 PolarHBondContact N-O 3.4Å |
| 19 | L | 83.4 | Confident | 83.6 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -34.5 | 176.6 | -79.4 | 166.6 | 0 | 0 | 0 | 112.4 | L10 E12 Y15 S16 V21 G23 M27 | L10-L19 HydrophobicContact CD2-CD1 4.06Å; L10-L19 HydrophobicContact CD2-CD2 3.48Å; L10-L19 VanDerWaalsContact CD2-CD2 3.48Å; L10-L19 HydrophobicContact CD2-CG 4.35Å; E12-L19 HydrophobicContact CB-CD1 4.18Å; E12-L19 HydrophobicContact CG-CD1 4.17Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.06Å; S16-L19 PolarHBondContact O-N 2.95Å; L19-V21 PolarHBondContact O-N 3.49Å; L19-G23 VanDerWaalsContact O-CA 3.23Å; L19-G23 WeakPolarHBondContact O-CA 3.47Å; L19-G23 PolarHBondContact O-N 3.3Å; L19-M27 HydrophobicContact CD2-CB 4.08Å; L19-M27 HydrophobicContact CD2-CG 3.55Å; L19-M27 HydrophobicContact CG-CG 4.4Å |
| 20 | Y | 81.2 | Confident | 85.2 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 18% | 0.18 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.6 | -14.3 | 174.5 | -61.1 | -57.3 | 0 | 0 | 0 | 114 | S16 Q18 A840 R844 I849 | S16-Y20 WeakPolarHBondContact O-CD2 3.45Å; S16-Y20 WeakPolarHBondContact O-CE2 3.4Å; Q18-Y20 VanDerWaalsContact C-N 3.25Å; Q18-Y20 PolarHBondContact O-N 2.92Å; Y20-A840 PolarHBondContact OH-O 2.83Å; Y20-R844 HydrophobicContact CD1-CB 4.25Å; Y20-R844 HydrophobicContact CD1-CG 4.11Å; Y20-R844 HydrophobicContact CD2-CG 4.5Å; Y20-R844 HydrophobicContact CE1-CB 3.64Å; Y20-R844 HydrophobicContact CE1-CG 4Å; Y20-R844 HydrophobicContact CE2-CB 4.34Å; Y20-R844 HydrophobicContact CE2-CG 4.42Å; Y20-R844 HydrophobicContact CG-CG 4.35Å; Y20-I849 HydrophobicContact CD2-CG2 3.72Å; Y20-I849 HydrophobicContact CE2-CB 4.21Å; Y20-I849 HydrophobicContact CE2-CD1 4.05Å; Y20-I849 HydrophobicContact CE2-CG2 3.61Å |
| 21 | V | 84.9 | Confident | 86 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -92.7 | -48.8 | 174.3 | -175 | 0 | 0 | 0 | 0 | 110.3 | Q18 L19 K379 F380 T567 P851 I853 | Q18-V21 WeakPolarHBondContact O-CA 3.44Å; Q18-V21 WeakPolarHBondContact O-CB 3.32Å; Q18-V21 PolarHBondContact O-N 3.25Å; L19-V21 PolarHBondContact O-N 3.49Å; V21-K379 PolarHBondContact O-NZ 3.22Å; V21-F380 HydrophobicContact CG1-CE2 4.5Å; V21-F380 HydrophobicContact CG1-CZ 4.23Å; V21-T567 HydrophobicContact CG1-CG2 3.68Å; V21-P851 HydrophobicContact CG2-CB 3.67Å; V21-I853 HydrophobicContact CG1-CD1 4.45Å; V21-I853 HydrophobicContact CG2-CB 4.49Å |
| 22 | L | 87.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -96.9 | -36.5 | -169.5 | -61.9 | 177 | 0 | 0 | 0 | 113.1 | Q18 A26 M27 I30 K379 F380 I853 | Q18-L22 HydrophobicContact CG-CD1 3.7Å; Q18-L22 HydrophobicContact CG-CG 4.33Å; Q18-L22 PolarHBondContact O-N 2.92Å; L22-A26 HydrophobicContact CB-CB 4.04Å; L22-A26 WeakPolarHBondContact O-CB 3.48Å; L22-M27 HydrophobicContact CB-CG 4.4Å; L22-M27 HydrophobicContact CB-SD 4.4Å; L22-M27 HydrophobicContact CD1-SD 3.73Å; L22-I30 HydrophobicContact CD1-CD1 3.68Å; L22-K379 VanDerWaalsContact C-NZ 3.29Å; L22-K379 HydrophobicContact CD2-CD 4.48Å; L22-K379 VanDerWaalsContact O-CD 3.26Å; L22-K379 WeakPolarHBondContact O-CD 3.42Å; L22-K379 PolarHBondContact O-NZ 2.65Å; L22-F380 HydrophobicContact CD2-CE2 3.83Å; L22-F380 HydrophobicContact CD2-CZ 4.41Å; L22-I853 HydrophobicContact CD1-CD1 4.15Å; L22-I853 HydrophobicContact CD2-CD1 4.35Å; L22-I853 HydrophobicContact CG-CD1 4.32Å |
| 23 | G | 83.1 | Confident | 87.6 | Confident | 24 Ų | 24 | 33.2 Ų | 33.2 | 25% | 0.247 | 19% | 0.187 | C | C | . | . | trans | 81.1 | 155.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L19 A26 M27 | L19-G23 VanDerWaalsContact O-CA 3.23Å; L19-G23 WeakPolarHBondContact O-CA 3.47Å; L19-G23 PolarHBondContact O-N 3.3Å; G23-A26 PolarHBondContact O-N 3.2Å; G23-M27 PolarHBondContact O-N 2.8Å; G23-M27 VanDerWaalsContact O-N 3.12Å | ||
| 24 | S | 84.3 | Confident | 88.7 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.4 | -41.6 | -175.5 | -45.6 | 0 | 0 | 0 | 0 | 114.4 | A26 M27 Q28 | S24-A26 VanDerWaalsContact C-N 3.34Å; S24-A26 PolarHBondContact O-N 3.4Å; S24-M27 PolarHBondContact O-N 3.24Å; S24-Q28 WeakPolarHBondContact O-CG 3.4Å; S24-Q28 PolarHBondContact O-N 2.95Å |
| 25 | P | 87.9 | Confident | 89.4 | Confident | 79 Ų | 79 | 34.2 Ų | 34.2 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 179.2 | -24.3 | 35 | 0 | 0 | 0 | 113.4 | R29 | P25-R29 PolarHBondContact O-N 3.26Å |
| 26 | A | 91.7 | Very high | 90 | Very high | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | L22 G23 S24 Q28 R29 I30 | L22-A26 HydrophobicContact CB-CB 4.04Å; L22-A26 WeakPolarHBondContact O-CB 3.48Å; G23-A26 PolarHBondContact O-N 3.2Å; S24-A26 VanDerWaalsContact C-N 3.34Å; S24-A26 PolarHBondContact O-N 3.4Å; A26-Q28 PolarHBondContact O-N 3.16Å; A26-R29 PolarHBondContact O-N 3.09Å; A26-I30 WeakPolarHBondContact O-CG1 3.43Å; A26-I30 PolarHBondContact O-N 3.4Å |
| 27 | M | 93 | Very high | 91 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 178.4 | -76.7 | -55.7 | -59.2 | 0 | 0 | 113.4 | L10 Y15 Q18 L19 L22 G23 S24 R29 I30 Q31 | L10-M27 HydrophobicContact CD1-CB 3.99Å; L10-M27 HydrophobicContact CD1-CE 4.23Å; L10-M27 HydrophobicContact CD2-CB 4.29Å; Y15-M27 HydrophobicContact CD1-CE 3.85Å; Y15-M27 HydrophobicContact CD2-CE 4.19Å; Y15-M27 HydrophobicContact CE1-CE 4.2Å; Y15-M27 HydrophobicContact CG-CE 3.85Å; Q18-M27 HydrophobicContact CG-SD 3.96Å; Q18-M27 VanDerWaalsContact NE2-CE 3.29Å; Q18-M27 PolarHBondContact NE2-SD 3.26Å; L19-M27 HydrophobicContact CD2-CB 4.08Å; L19-M27 HydrophobicContact CD2-CG 3.55Å; L19-M27 HydrophobicContact CG-CG 4.4Å; L22-M27 HydrophobicContact CB-CG 4.4Å; L22-M27 HydrophobicContact CB-SD 4.4Å; L22-M27 HydrophobicContact CD1-SD 3.73Å; G23-M27 PolarHBondContact O-N 2.8Å; G23-M27 VanDerWaalsContact O-N 3.12Å; S24-M27 PolarHBondContact O-N 3.24Å; M27-R29 VanDerWaalsContact C-N 3.32Å; M27-R29 PolarHBondContact O-N 3.11Å; M27-I30 WeakPolarHBondContact O-CB 3.42Å; M27-I30 PolarHBondContact O-N 3.18Å; M27-I30 HydrophobicContact SD-CD1 4.05Å; M27-Q31 WeakPolarHBondContact O-CG 3.49Å; M27-Q31 PolarHBondContact O-N 2.92Å |
| 28 | Q | 92.7 | Very high | 91.9 | Very high | 124 Ų | 124 | 33.2 Ų | 33.2 | 58% | 0.579 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -62.4 | -39.3 | 175.9 | -72.7 | 172 | -12.5 | 0 | 0 | 112.1 | S24 A26 G32 | S24-Q28 WeakPolarHBondContact O-CG 3.4Å; S24-Q28 PolarHBondContact O-N 2.95Å; A26-Q28 PolarHBondContact O-N 3.16Å; Q28-G32 PolarHBondContact O-N 3.37Å |
| 29 | R | 95.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 33.5 Ų | 33.5 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 173.6 | -72.1 | -172.6 | -73.8 | -93.5 | 12.9 | 111.9 | P25 A26 M27 G32 A33 I376 S377 | P25-R29 PolarHBondContact O-N 3.26Å; A26-R29 PolarHBondContact O-N 3.09Å; M27-R29 VanDerWaalsContact C-N 3.32Å; M27-R29 PolarHBondContact O-N 3.11Å; R29-G32 PolarHBondContact O-N 2.72Å; R29-A33 PolarHBondContact O-N 3.11Å; R29-I376 HydrophobicContact CB-CG2 4.48Å; R29-S377 PolarHBondContact NE-O 3.3Å; R29-S377 PolarHBondContact NH2-O 2.93Å |
| 30 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.8 | -69.6 | 163.5 | 0 | 0 | 0 | 110.9 | L22 A26 M27 G32 A33 V56 G57 L373 I376 | L22-I30 HydrophobicContact CD1-CD1 3.68Å; A26-I30 WeakPolarHBondContact O-CG1 3.43Å; A26-I30 PolarHBondContact O-N 3.4Å; M27-I30 WeakPolarHBondContact O-CB 3.42Å; M27-I30 PolarHBondContact O-N 3.18Å; M27-I30 HydrophobicContact SD-CD1 4.05Å; I30-G32 PolarHBondContact O-N 3.33Å; I30-A33 WeakPolarHBondContact O-CB 3.45Å; I30-A33 PolarHBondContact O-N 3.02Å; I30-V56 HydrophobicContact CG2-CG1 4.09Å; I30-V56 WeakPolarHBondContact O-CA 3.25Å; I30-G57 PolarHBondContact O-N 2.97Å; I30-G57 VanDerWaalsContact O-N 3.08Å; I30-L373 HydrophobicContact CD1-CD2 4.09Å; I30-L373 HydrophobicContact CG1-CD2 4.36Å; I30-L373 HydrophobicContact CG2-CD2 4.48Å; I30-I376 HydrophobicContact CB-CG2 4.44Å; I30-I376 HydrophobicContact CG1-CG2 3.96Å |
| 31 | Q | 95.2 | Very high | 93.8 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -21.5 | 178.8 | -70.9 | -178 | -40.2 | 0 | 0 | 114.2 | M27 G55 G57 | M27-Q31 WeakPolarHBondContact O-CG 3.49Å; M27-Q31 PolarHBondContact O-N 2.92Å; Q31-G55 WeakPolarHBondContact CA-O 3.5Å; Q31-G57 WeakPolarHBondContact O-CA 3.33Å |
| 32 | G | 94.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 32.6 Ų | 32.6 | 61% | 0.608 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -6.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q28 R29 I30 | Q28-G32 PolarHBondContact O-N 3.37Å; R29-G32 PolarHBondContact O-N 2.72Å; I30-G32 PolarHBondContact O-N 3.33Å |
| 33 | A | 97.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | trans | -86.1 | 149.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | R29 I30 G57 S58 I376 | R29-A33 PolarHBondContact O-N 3.11Å; I30-A33 WeakPolarHBondContact O-CB 3.45Å; I30-A33 PolarHBondContact O-N 3.02Å; A33-G57 CarbonylContact O-C 3.48Å; A33-G57 VanDerWaalsContact O-CA 3.27Å; A33-G57 WeakPolarHBondContact O-CA 3.36Å; A33-G57 PolarHBondContact O-N 3.26Å; A33-S58 PolarHBondContact O-N 3.36Å; A33-I376 HydrophobicContact CB-CB 4.35Å; A33-I376 HydrophobicContact CB-CD1 3.82Å; A33-I376 HydrophobicContact CB-CG1 3.94Å; A33-I376 HydrophobicContact CB-CG2 3.46Å; A33-I376 VanDerWaalsContact CB-CG2 3.46Å | ||
| 34 | R | 98.5 | Very high | 95.6 | Very high | 128 Ų | 128 | 31.5 Ų | 31.5 | 48% | 0.483 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.8 | 174.1 | -57.9 | -178 | 177.6 | 176.7 | -0.8 | 109 | S58 D118 F119 Q120 | R34-S58 WeakPolarHBondContact CA-O 3.28Å; R34-S58 WeakPolarHBondContact CG-OG 3.37Å; R34-D118 VanDerWaalsContact CD-O 3.24Å; R34-D118 WeakPolarHBondContact CD-O 3.34Å; R34-F119 HydrophobicContact CB-CD1 4.03Å; R34-Q120 PolarHBondContact O-N 3.29Å |
| 35 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.9 | -178.4 | -174.8 | 0 | 0 | 0 | 0 | 110 | V37 L51 V56 S58 L59 T60 V121 V372 I376 | V35-V37 HydrophobicContact CG1-CG2 4.34Å; V35-L51 HydrophobicContact CB-CD1 4.45Å; V35-L51 HydrophobicContact CG1-CD1 3.85Å; V35-V56 HydrophobicContact CG2-CG1 4.4Å; V35-S58 PolarHBondContact N-O 3.29Å; V35-L59 HydrophobicContact CB-CD1 4.1Å; V35-L59 HydrophobicContact CG1-CD1 4.23Å; V35-L59 WeakPolarHBondContact O-CA 3.21Å; V35-T60 PolarHBondContact O-N 3.22Å; V35-V121 WeakPolarHBondContact CA-O 3.38Å; V35-V121 HydrophobicContact CG1-CB 4.32Å; V35-V121 HydrophobicContact CG2-CB 4.46Å; V35-V372 HydrophobicContact CG1-CG1 4.1Å; V35-V372 HydrophobicContact CG2-CG1 4.05Å; V35-I376 HydrophobicContact CG2-CD1 3.64Å |
| 36 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128 | 168.2 | 175.6 | 63 | 0 | 0 | 0 | 109.4 | T60 H62 L116 F119 V121 V122 V123 | L36-T60 WeakPolarHBondContact CA-O 3.44Å; L36-T60 HydrophobicContact CD1-CG2 3.83Å; L36-H62 HydrophobicContact CD1-CB 4.08Å; L36-L116 HydrophobicContact CD2-CD2 4.17Å; L36-F119 HydrophobicContact CB-CD1 3.87Å; L36-F119 HydrophobicContact CB-CD2 3.85Å; L36-F119 HydrophobicContact CB-CE1 3.99Å; L36-F119 HydrophobicContact CB-CE2 3.97Å; L36-F119 HydrophobicContact CB-CG 3.8Å; L36-F119 HydrophobicContact CB-CZ 4.04Å; L36-F119 HydrophobicContact CD1-CZ 4.37Å; L36-F119 HydrophobicContact CD2-CD2 4.26Å; L36-F119 HydrophobicContact CD2-CE2 4.14Å; L36-F119 HydrophobicContact CG-CE2 4.44Å; L36-V121 PolarHBondContact N-O 3.46Å; L36-V122 HydrophobicContact CB-CG2 4.24Å; L36-V122 HydrophobicContact CD2-CG1 4.12Å; L36-V122 HydrophobicContact CD2-CG2 4.39Å; L36-V123 PolarHBondContact O-N 2.93Å |
| 37 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.2 | 168 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | V35 L40 V47 L51 L59 T60 H62 V123 | V35-V37 HydrophobicContact CG1-CG2 4.34Å; V37-L40 HydrophobicContact CG1-CD2 4.23Å; V37-V47 HydrophobicContact CG2-CG1 4.09Å; V37-L51 HydrophobicContact CG2-CD1 4.18Å; V37-L59 HydrophobicContact CB-CD1 4.38Å; V37-L59 HydrophobicContact CG2-CD1 3.68Å; V37-T60 PolarHBondContact N-O 3.13Å; V37-H62 PolarHBondContact O-N 3.11Å; V37-V123 HydrophobicContact CG2-CB 4.25Å; V37-V123 HydrophobicContact CG2-CG2 4.41Å |
| 38 | S | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.9 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | H62 I111 V123 T125 | S38-H62 CarbonylContact C-O 3.14Å; S38-H62 VanDerWaalsContact CA-O 3.23Å; S38-H62 WeakPolarHBondContact CA-O 3.31Å; S38-H62 PolarHBondContact OG-ND1 2.86Å; S38-I111 WeakPolarHBondContact OG-CD1 3.34Å; S38-V123 PolarHBondContact N-O 3.21Å; S38-T125 PolarHBondContact O-N 3.47Å; S38-T125 PolarHBondContact O-OG1 3.07Å |
| 39 | G | 97.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | trans | 86.6 | 112.9 | -170 | 0 | 0 | 0 | 0 | 0 | 111.1 | G44 H62 T125 | G39-G44 WeakPolarHBondContact O-CA 3.4Å; G39-H62 PolarHBondContact N-O 2.81Å; G39-T125 PolarHBondContact O-OG1 3.01Å | ||
| 40 | L | 97.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -118.4 | 36 | -176.2 | -90.8 | -61.8 | 0 | 0 | 0 | 111.5 | V37 A45 A48 L61 D63 Q75 R87 | V37-L40 HydrophobicContact CG1-CD2 4.23Å; L40-A45 HydrophobicContact CD1-CB 4.45Å; L40-A48 HydrophobicContact CD1-CB 4.4Å; L40-L61 HydrophobicContact CD1-CD2 4.25Å; L40-L61 HydrophobicContact CD2-CB 4.1Å; L40-L61 HydrophobicContact CD2-CD2 4.26Å; L40-D63 HydrophobicContact CB-CB 3.87Å; L40-D63 HydrophobicContact CD2-CB 4.26Å; L40-D63 PolarHBondContact N-OD2 2.88Å; L40-Q75 WeakPolarHBondContact O-CG 3.37Å; L40-Q75 PolarHBondContact O-NE2 3.37Å; L40-R87 HydrophobicContact CB-CB 4.04Å | ||
| 41 | Q | 96.6 | Very high | 98 | Very high | 54 Ų | 54 | 15.5 Ų | 15.5 | 25% | 0.252 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -64.9 | -175.1 | 157.4 | -63.3 | -163.6 | -41.1 | 0 | 0 | 110.4 | L43 G44 A45 D71 R87 A126 | Q41-L43 VanDerWaalsContact C-N 3.27Å; Q41-L43 PolarHBondContact O-N 2.93Å; Q41-G44 PolarHBondContact O-N 3.33Å; Q41-A45 WeakPolarHBondContact O-CB 3.29Å; Q41-A45 PolarHBondContact O-N 3.5Å; Q41-D71 WeakPolarHBondContact CG-OD1 3.45Å; Q41-D71 PolarHBondContact NE2-OD1 3.31Å; Q41-R87 VanDerWaalsContact CG-NH1 3.25Å; Q41-R87 VanDerWaalsContact NE2-NH1 3.12Å; Q41-A126 HydrophobicContact CG-CB 4.44Å |
| 42 | G | 97.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -48.9 | -47 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A45 E46 V361 | G42-A45 PolarHBondContact O-N 3.23Å; G42-E46 PolarHBondContact O-N 3.42Å; G42-V361 WeakPolarHBondContact O-CG1 3.39Å |
| 43 | L | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 9.9 Ų | 9.9 | 3% | 0.031 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -61.3 | -52.4 | -177.1 | -173.5 | 61.7 | 0 | 0 | 0 | 112.8 | Q41 A45 E46 V47 T125 A149 T151 V361 L364 G365 | Q41-L43 VanDerWaalsContact C-N 3.27Å; Q41-L43 PolarHBondContact O-N 2.93Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.42Å; L43-E46 PolarHBondContact O-N 2.87Å; L43-V47 WeakPolarHBondContact O-CG2 3.38Å; L43-V47 PolarHBondContact O-N 2.72Å; L43-T125 HydrophobicContact CD2-CG2 4.2Å; L43-T125 HydrophobicContact CG-CG2 4.14Å; L43-A149 VanDerWaalsContact CD2-C 3.44Å; L43-A149 HydrophobicContact CD2-CB 3.82Å; L43-A149 VanDerWaalsContact CD2-O 3.23Å; L43-A149 WeakPolarHBondContact CD2-O 3.42Å; L43-T151 HydrophobicContact CD1-CG2 4.24Å; L43-T151 HydrophobicContact CD2-CG2 4.25Å; L43-V361 HydrophobicContact CB-CG2 4.28Å; L43-L364 HydrophobicContact CD1-CB 3.98Å; L43-L364 HydrophobicContact CD1-CD2 4.31Å; L43-L364 HydrophobicContact CD1-CG 4.26Å; L43-L364 HydrophobicContact CD2-CD2 4.31Å; L43-G365 VanDerWaalsContact CD1-CA 3.48Å; L43-G365 VanDerWaalsContact CD1-N 3.27Å |
| 44 | G | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G39 Q41 E46 V47 A48 | G39-G44 WeakPolarHBondContact O-CA 3.4Å; Q41-G44 PolarHBondContact O-N 3.33Å; G44-E46 VanDerWaalsContact C-N 3.35Å; G44-E46 PolarHBondContact O-N 3.31Å; G44-V47 PolarHBondContact O-N 3.27Å; G44-A48 VanDerWaalsContact O-CB 3.29Å; G44-A48 WeakPolarHBondContact O-CB 3.43Å; G44-A48 PolarHBondContact O-N 3.04Å |
| 45 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L40 Q41 G42 L43 A48 K49 Q75 F76 L77 | L40-A45 HydrophobicContact CD1-CB 4.45Å; Q41-A45 WeakPolarHBondContact O-CB 3.29Å; Q41-A45 PolarHBondContact O-N 3.5Å; G42-A45 PolarHBondContact O-N 3.23Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.42Å; A45-A48 PolarHBondContact O-N 2.93Å; A45-K49 WeakPolarHBondContact O-CB 3.49Å; A45-K49 PolarHBondContact O-N 3.3Å; A45-Q75 HydrophobicContact CB-CG 3.73Å; A45-F76 HydrophobicContact CB-CE1 4.4Å; A45-L77 HydrophobicContact CB-CD1 4.11Å |
| 46 | E | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 3.9 Ų | 3.9 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 175 | -169.3 | 67.1 | -148 | 0 | 0 | 111.8 | G42 L43 G44 K49 N50 F76 V361 K449 A858 | G42-E46 PolarHBondContact O-N 3.42Å; L43-E46 PolarHBondContact O-N 2.87Å; G44-E46 VanDerWaalsContact C-N 3.35Å; G44-E46 PolarHBondContact O-N 3.31Å; E46-K49 WeakPolarHBondContact OE1-CE 3.29Å; E46-K49 IonicContact OE1-NZ 2.8Å; E46-K49 PolarHBondContact OE1-NZ 3.41Å; E46-N50 PolarHBondContact O-N 3.12Å; E46-N50 VanDerWaalsContact O-N 3.12Å; E46-N50 PolarHBondContact O-ND2 2.66Å; E46-N50 PolarHBondContact OE1-ND2 3.25Å; E46-F76 VanDerWaalsContact OE2-CE1 3.31Å; E46-F76 WeakPolarHBondContact OE2-CE1 3.48Å; E46-V361 HydrophobicContact CB-CG1 3.99Å; E46-K449 IonicContact OE1-NZ 2.73Å; E46-K449 PolarHBondContact OE1-NZ 3.42Å; E46-K449 IonicContact OE2-NZ 2.86Å; E46-K449 PolarHBondContact OE2-NZ 3.05Å; E46-A858 WeakPolarHBondContact OE1-CB 3.3Å |
| 47 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58 | -53 | 173.4 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | V37 L43 G44 K49 N50 L51 V123 G365 A368 A369 | V37-V47 HydrophobicContact CG2-CG1 4.09Å; L43-V47 WeakPolarHBondContact O-CG2 3.38Å; L43-V47 PolarHBondContact O-N 2.72Å; G44-V47 PolarHBondContact O-N 3.27Å; V47-K49 PolarHBondContact O-N 3.27Å; V47-N50 PolarHBondContact O-N 3.42Å; V47-L51 HydrophobicContact CG1-CD1 3.84Å; V47-L51 HydrophobicContact CG1-CG 4.28Å; V47-L51 WeakPolarHBondContact O-CG 3.32Å; V47-L51 PolarHBondContact O-N 2.89Å; V47-V123 HydrophobicContact CG1-CG1 4.5Å; V47-G365 WeakPolarHBondContact CG2-O 3.43Å; V47-A368 HydrophobicContact CG2-CB 3.86Å; V47-A369 HydrophobicContact CG1-CB 4.41Å |
| 48 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -56.3 | -47.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L40 G44 A45 N50 L51 V52 L59 L61 L95 | L40-A48 HydrophobicContact CD1-CB 4.4Å; G44-A48 VanDerWaalsContact O-CB 3.29Å; G44-A48 WeakPolarHBondContact O-CB 3.43Å; G44-A48 PolarHBondContact O-N 3.04Å; A45-A48 PolarHBondContact O-N 2.93Å; A48-N50 PolarHBondContact O-N 3.03Å; A48-L51 PolarHBondContact O-N 2.78Å; A48-V52 WeakPolarHBondContact O-CG2 3.39Å; A48-V52 PolarHBondContact O-N 3.33Å; A48-L59 HydrophobicContact CB-CD2 3.74Å; A48-L61 HydrophobicContact CB-CD2 4.21Å; A48-L95 HydrophobicContact CB-CD1 3.86Å; A48-L95 HydrophobicContact CB-CD2 4.02Å |
| 49 | K | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 178 | 176.4 | -131.3 | 68.1 | 171 | 0 | 111.6 | A45 E46 V47 V52 L53 F76 L95 L98 E446 F481 | A45-K49 WeakPolarHBondContact O-CB 3.49Å; A45-K49 PolarHBondContact O-N 3.3Å; E46-K49 WeakPolarHBondContact OE1-CE 3.29Å; E46-K49 IonicContact OE1-NZ 2.8Å; E46-K49 PolarHBondContact OE1-NZ 3.41Å; V47-K49 PolarHBondContact O-N 3.27Å; K49-V52 PolarHBondContact O-N 3.3Å; K49-L53 HydrophobicContact CD-CD1 4.17Å; K49-L53 HydrophobicContact CG-CD1 4.01Å; K49-L53 WeakPolarHBondContact O-CB 3.32Å; K49-L53 WeakPolarHBondContact O-CD1 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.41Å; K49-L53 PolarHBondContact O-N 3.21Å; K49-F76 HydrophobicContact CB-CE2 4.02Å; K49-F76 HydrophobicContact CB-CZ 3.52Å; K49-F76 HydrophobicContact CD-CE2 4.08Å; K49-F76 HydrophobicContact CD-CZ 3.74Å; K49-F76 HydrophobicContact CG-CE2 3.91Å; K49-F76 HydrophobicContact CG-CZ 3.75Å; K49-L95 HydrophobicContact CB-CD2 4.23Å; K49-L98 HydrophobicContact CB-CD1 4.2Å; K49-L98 HydrophobicContact CG-CD1 3.69Å; K49-E446 IonicContact NZ-OE1 2.66Å; K49-E446 PolarHBondContact NZ-OE1 2.97Å; K49-E446 IonicContact NZ-OE2 3.63Å; K49-F481 HydrophobicContact CD-CB 4.49Å; K49-F481 HydrophobicContact CD-CD1 4.23Å; K49-F481 HydrophobicContact CD-CD2 4.12Å; K49-F481 HydrophobicContact CD-CE2 4.46Å; K49-F481 HydrophobicContact CD-CG 4Å; K49-F481 HydrophobicContact CG-CD2 4.3Å; K49-F481 HydrophobicContact CG-CG 4.42Å |
| 50 | N | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 178.3 | -72.6 | -53.5 | 0 | 0 | 0 | 110.9 | E46 V47 A48 V52 L53 M54 A369 T855 | E46-N50 PolarHBondContact O-N 3.12Å; E46-N50 VanDerWaalsContact O-N 3.12Å; E46-N50 PolarHBondContact O-ND2 2.66Å; E46-N50 PolarHBondContact OE1-ND2 3.25Å; V47-N50 PolarHBondContact O-N 3.42Å; A48-N50 PolarHBondContact O-N 3.03Å; N50-V52 PolarHBondContact O-N 3.1Å; N50-L53 PolarHBondContact O-N 2.71Å; N50-M54 WeakPolarHBondContact O-CB 3.49Å; N50-M54 WeakPolarHBondContact O-CG 3.43Å; N50-M54 PolarHBondContact O-N 2.99Å; N50-A369 HydrophobicContact CB-CB 3.55Å; N50-T855 HydrophobicContact CB-CG2 4.2Å |
| 51 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.9 | -65.4 | 178.4 | 0 | 0 | 0 | 113.3 | V35 V37 V47 A48 M54 G55 V56 L59 A369 V372 L373 | V35-L51 HydrophobicContact CB-CD1 4.45Å; V35-L51 HydrophobicContact CG1-CD1 3.85Å; V37-L51 HydrophobicContact CG2-CD1 4.18Å; V47-L51 HydrophobicContact CG1-CD1 3.84Å; V47-L51 HydrophobicContact CG1-CG 4.28Å; V47-L51 WeakPolarHBondContact O-CG 3.32Å; V47-L51 PolarHBondContact O-N 2.89Å; A48-L51 PolarHBondContact O-N 2.78Å; L51-M54 PolarHBondContact O-N 3.23Å; L51-G55 PolarHBondContact O-N 3.16Å; L51-G55 VanDerWaalsContact O-N 3.15Å; L51-V56 HydrophobicContact CB-CG1 4.03Å; L51-V56 HydrophobicContact CB-CG2 4.06Å; L51-V56 HydrophobicContact CD2-CG1 4.12Å; L51-V56 PolarHBondContact O-N 3.06Å; L51-L59 HydrophobicContact CD1-CD1 4.04Å; L51-A369 HydrophobicContact CD2-CB 4.46Å; L51-V372 HydrophobicContact CD1-CG1 4.01Å; L51-V372 HydrophobicContact CD2-CB 3.82Å; L51-V372 HydrophobicContact CD2-CG1 3.5Å; L51-V372 VanDerWaalsContact CD2-CG1 3.5Å; L51-V372 HydrophobicContact CG-CG1 4.41Å; L51-L373 HydrophobicContact CD2-CD2 4.21Å |
| 52 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | A48 K49 N50 M54 G55 L59 L95 L98 N99 V102 V104 | A48-V52 WeakPolarHBondContact O-CG2 3.39Å; A48-V52 PolarHBondContact O-N 3.33Å; K49-V52 PolarHBondContact O-N 3.3Å; N50-V52 PolarHBondContact O-N 3.1Å; V52-M54 PolarHBondContact O-N 3.31Å; V52-G55 PolarHBondContact O-N 3.18Å; V52-G55 VanDerWaalsContact O-N 3.08Å; V52-L59 HydrophobicContact CG2-CD2 3.63Å; V52-L95 WeakPolarHBondContact CG1-O 3.22Å; V52-L95 HydrophobicContact CG2-CD2 4.35Å; V52-L98 HydrophobicContact CG1-CB 3.86Å; V52-N99 HydrophobicContact CG1-CB 3.62Å; V52-N99 VanDerWaalsContact O-CB 3.26Å; V52-N99 WeakPolarHBondContact O-CB 3.47Å; V52-N99 PolarHBondContact O-ND2 2.77Å; V52-V102 HydrophobicContact CG1-CB 4.22Å; V52-V102 HydrophobicContact CG1-CG1 4.49Å; V52-V102 HydrophobicContact CG1-CG2 4.29Å; V52-V102 HydrophobicContact CG2-CG1 4.12Å; V52-V102 WeakPolarHBondContact O-CG2 3.45Å; V52-V104 HydrophobicContact CG2-CG2 3.96Å |
| 53 | L | 97.4 | Very high | 98 | Very high | 2 Ų | 2 | 3.8 Ų | 3.8 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.9 | -36.5 | 176.8 | -71.5 | 169.1 | 0 | 0 | 0 | 112.2 | K49 N50 G55 L98 L477 F481 A854 | K49-L53 HydrophobicContact CD-CD1 4.17Å; K49-L53 HydrophobicContact CG-CD1 4.01Å; K49-L53 WeakPolarHBondContact O-CB 3.32Å; K49-L53 WeakPolarHBondContact O-CD1 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.41Å; K49-L53 PolarHBondContact O-N 3.21Å; N50-L53 PolarHBondContact O-N 2.71Å; L53-G55 PolarHBondContact O-N 3.3Å; L53-L98 HydrophobicContact CD2-CB 4.27Å; L53-L477 WeakPolarHBondContact CD2-O 3.38Å; L53-F481 HydrophobicContact CD1-CB 3.68Å; L53-F481 HydrophobicContact CD2-CB 3.99Å; L53-F481 HydrophobicContact CG-CB 4.38Å; L53-A854 HydrophobicContact CB-CB 4.42Å; L53-A854 HydrophobicContact CD1-CB 4.06Å |
| 54 | M | 95.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -76.7 | -8.4 | 178.7 | -62.6 | -60.1 | 90.4 | 0 | 0 | 113.7 | Q18 N50 L51 V52 L373 S478 I853 A854 | Q18-M54 HydrophobicContact CG-SD 4.18Å; Q18-M54 PolarHBondContact NE2-O 3.32Å; Q18-M54 PolarHBondContact OE1-SD 2.76Å; N50-M54 WeakPolarHBondContact O-CB 3.49Å; N50-M54 WeakPolarHBondContact O-CG 3.43Å; N50-M54 PolarHBondContact O-N 2.99Å; L51-M54 PolarHBondContact O-N 3.23Å; V52-M54 PolarHBondContact O-N 3.31Å; M54-L373 HydrophobicContact CB-CD1 4.35Å; M54-L373 HydrophobicContact CB-CD2 3.89Å; M54-L373 HydrophobicContact CG-CD1 3.82Å; M54-L373 HydrophobicContact CG-CD2 4.25Å; M54-L373 HydrophobicContact SD-CD1 4.4Å; M54-S478 WeakPolarHBondContact CE-O 3.39Å; M54-I853 HydrophobicContact CE-CG1 4.28Å; M54-I853 HydrophobicContact SD-CD1 3.79Å; M54-I853 HydrophobicContact SD-CG1 3.25Å; M54-I853 WeakPolarHBondContact SD-CG1 3.35Å; M54-A854 HydrophobicContact CE-CB 3.51Å; M54-A854 HydrophobicContact SD-CB 4.45Å |
| 55 | G | 96.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 36.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y15 Q31 L51 V52 L53 | Y15-G55 WeakPolarHBondContact OH-CA 3.47Å; Q31-G55 WeakPolarHBondContact CA-O 3.5Å; L51-G55 PolarHBondContact O-N 3.16Å; L51-G55 VanDerWaalsContact O-N 3.15Å; V52-G55 PolarHBondContact O-N 3.18Å; V52-G55 VanDerWaalsContact O-N 3.08Å; L53-G55 PolarHBondContact O-N 3.3Å |
| 56 | V | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -57.2 | 145.6 | 170.2 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | I30 V35 L51 L59 V102 I376 | I30-V56 HydrophobicContact CG2-CG1 4.09Å; I30-V56 WeakPolarHBondContact O-CA 3.25Å; V35-V56 HydrophobicContact CG2-CG1 4.4Å; L51-V56 HydrophobicContact CB-CG1 4.03Å; L51-V56 HydrophobicContact CB-CG2 4.06Å; L51-V56 HydrophobicContact CD2-CG1 4.12Å; L51-V56 PolarHBondContact O-N 3.06Å; V56-L59 HydrophobicContact CG2-CB 4.21Å; V56-V102 HydrophobicContact CG2-CG1 3.86Å; V56-V102 WeakPolarHBondContact O-CB 3.45Å; V56-V102 WeakPolarHBondContact O-CG1 3.5Å; V56-V102 WeakPolarHBondContact O-CG2 3.4Å; V56-I376 HydrophobicContact CG1-CD1 4.24Å | ||
| 57 | G | 96.1 | Very high | 97.4 | Very high | 20 Ų | 20 | 16 Ų | 16 | 21% | 0.206 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -60.1 | -55.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I30 Q31 A33 Q103 | I30-G57 PolarHBondContact O-N 2.97Å; I30-G57 VanDerWaalsContact O-N 3.08Å; Q31-G57 WeakPolarHBondContact O-CA 3.33Å; A33-G57 CarbonylContact O-C 3.48Å; A33-G57 VanDerWaalsContact O-CA 3.27Å; A33-G57 WeakPolarHBondContact O-CA 3.36Å; A33-G57 PolarHBondContact O-N 3.26Å; G57-Q103 PolarHBondContact O-N 3.43Å |
| 58 | S | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 10% | 0.098 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.1 | 170.4 | 85.1 | 0 | 0 | 0 | 0 | 112.4 | A33 R34 V35 Q103 | A33-S58 PolarHBondContact O-N 3.36Å; R34-S58 WeakPolarHBondContact CA-O 3.28Å; R34-S58 WeakPolarHBondContact CG-OG 3.37Å; V35-S58 PolarHBondContact N-O 3.29Å; S58-Q103 CarbonylContact C-O 3.47Å; S58-Q103 VanDerWaalsContact CA-O 3.25Å; S58-Q103 WeakPolarHBondContact CA-O 3.15Å |
| 59 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 113.9 | 173.2 | -178.8 | 65.3 | 0 | 0 | 0 | 109.1 | V35 V37 A48 L51 V52 V56 L61 V102 Q103 V104 V105 | V35-L59 HydrophobicContact CB-CD1 4.1Å; V35-L59 HydrophobicContact CG1-CD1 4.23Å; V35-L59 WeakPolarHBondContact O-CA 3.21Å; V37-L59 HydrophobicContact CB-CD1 4.38Å; V37-L59 HydrophobicContact CG2-CD1 3.68Å; A48-L59 HydrophobicContact CB-CD2 3.74Å; L51-L59 HydrophobicContact CD1-CD1 4.04Å; V52-L59 HydrophobicContact CG2-CD2 3.63Å; V56-L59 HydrophobicContact CG2-CB 4.21Å; L59-L61 HydrophobicContact CD2-CD2 3.84Å; L59-L61 HydrophobicContact CG-CD2 3.85Å; L59-V102 HydrophobicContact CB-CG1 4.4Å; L59-Q103 PolarHBondContact N-O 3.14Å; L59-V104 CarbonylContact O-C 3.55Å; L59-V104 WeakPolarHBondContact O-CA 3.44Å; L59-V105 PolarHBondContact O-N 3.18Å |
| 60 | T | 98.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.2 | 172.2 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | V35 L36 V37 V105 H107 F119 | V35-T60 PolarHBondContact O-N 3.22Å; L36-T60 WeakPolarHBondContact CA-O 3.44Å; L36-T60 HydrophobicContact CD1-CG2 3.83Å; V37-T60 PolarHBondContact N-O 3.13Å; T60-V105 CarbonylContact C-O 3.24Å; T60-V105 WeakPolarHBondContact CA-O 3.21Å; T60-H107 HydrophobicContact CG2-CB 3.75Å; T60-F119 HydrophobicContact CG2-CE1 4.47Å; T60-F119 HydrophobicContact CG2-CZ 4.02Å; T60-F119 WeakPolarHBondContact OG1-CE1 3.42Å |
| 61 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.5 | 177.2 | -52.2 | -179.3 | 0 | 0 | 0 | 108.9 | L40 A48 L59 A88 L95 V104 V105 V106 H107 | L40-L61 HydrophobicContact CD1-CD2 4.25Å; L40-L61 HydrophobicContact CD2-CB 4.1Å; L40-L61 HydrophobicContact CD2-CD2 4.26Å; A48-L61 HydrophobicContact CB-CD2 4.21Å; L59-L61 HydrophobicContact CD2-CD2 3.84Å; L59-L61 HydrophobicContact CG-CD2 3.85Å; L61-A88 HydrophobicContact CB-CB 4.04Å; L61-L95 HydrophobicContact CD1-CD1 3.65Å; L61-L95 HydrophobicContact CD2-CD1 4.23Å; L61-V104 HydrophobicContact CD1-CG1 3.74Å; L61-V104 HydrophobicContact CG-CG1 4.03Å; L61-V105 PolarHBondContact N-O 3.36Å; L61-V106 HydrophobicContact CB-CG2 4.43Å; L61-V106 WeakPolarHBondContact O-CA 3.44Å; L61-H107 PolarHBondContact O-N 3.35Å |
| 62 | H | 98.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 110.6 | 172.4 | 170.4 | -94.1 | 0 | 0 | 0 | 109.6 | L36 V37 S38 G39 H107 G109 | L36-H62 HydrophobicContact CD1-CB 4.08Å; V37-H62 PolarHBondContact O-N 3.11Å; S38-H62 CarbonylContact C-O 3.14Å; S38-H62 VanDerWaalsContact CA-O 3.23Å; S38-H62 WeakPolarHBondContact CA-O 3.31Å; S38-H62 PolarHBondContact OG-ND1 2.86Å; G39-H62 PolarHBondContact N-O 2.81Å; H62-H107 AromaticContact CD2-CD2 3.74Å; H62-G109 PolarHBondContact CD2-O 2.78Å; H62-G109 PolarHBondContact NE2-O 2.95Å |
| 63 | D | 97.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | trans | -162 | 92.7 | 168.2 | -164.6 | -10 | 0 | 0 | 0 | 110 | L40 H65 S86 R87 A88 | L40-D63 HydrophobicContact CB-CB 3.87Å; L40-D63 HydrophobicContact CD2-CB 4.26Å; L40-D63 PolarHBondContact N-OD2 2.88Å; D63-H65 PolarHBondContact O-N 2.76Å; D63-H65 WeakPolarHBondContact OD1-CB 3.48Å; D63-H65 IonicContact OD1-CG 3.71Å; D63-H65 PolarHBondContact OD1-N 2.81Å; D63-H65 IonicContact OD1-ND1 3.72Å; D63-H65 PolarHBondContact OD1-ND1 2.88Å; D63-S86 PolarHBondContact O-OG 3.42Å; D63-R87 HydrophobicContact CB-CB 4.29Å; D63-R87 IonicContact OD1-CZ 3.23Å; D63-R87 IonicContact OD1-NE 3.49Å; D63-R87 IonicContact OD1-NH2 3.2Å; D63-R87 PolarHBondContact OD1-NH2 2.88Å; D63-R87 IonicContact OD2-CZ 2.99Å; D63-R87 IonicContact OD2-NE 2.88Å; D63-R87 PolarHBondContact OD2-NE 2.96Å; D63-R87 IonicContact OD2-NH2 2.76Å; D63-R87 PolarHBondContact OD2-NH2 3.46Å; D63-A88 HydrophobicContact CB-CB 4.03Å; D63-A88 PolarHBondContact O-N 3.26Å | ||
| 64 | P | 93.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 24.2 Ų | 24.2 | 46% | 0.461 | 14% | 0.141 | S | C | . | . | trans | -74.3 | -9.2 | -178.8 | 30.8 | -35.3 | 0 | 0 | 0 | 112.6 | ||||
| 65 | H | 95.3 | Very high | 96.5 | Very high | 111 Ų | 111 | 24.2 Ų | 24.2 | 51% | 0.514 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -71.7 | 147.4 | -175.4 | -58.7 | 88 | 0 | 0 | 0 | 111.8 | D63 R87 | D63-H65 PolarHBondContact O-N 2.76Å; D63-H65 WeakPolarHBondContact OD1-CB 3.48Å; D63-H65 IonicContact OD1-CG 3.71Å; D63-H65 PolarHBondContact OD1-N 2.81Å; D63-H65 IonicContact OD1-ND1 3.72Å; D63-H65 PolarHBondContact OD1-ND1 2.88Å; H65-R87 VanDerWaalsContact CB-NH2 3.28Å; H65-R87 PolarHBondContact O-N 2.85Å; H65-R87 VanDerWaalsContact O-N 3.1Å |
| 66 | P | 96.6 | Very high | 96.5 | Very high | 76 Ų | 76 | 24.6 Ų | 24.6 | 49% | 0.494 | 14% | 0.142 | S | C | . | . | B | Isolated β-bridge | trans | -69 | 143.9 | 177.6 | 27.9 | -34.1 | 0 | 0 | 0 | 111.7 | E84 R85 | P66-E84 WeakPolarHBondContact CB-O 3.47Å; P66-R85 CarbonylContact C-O 3.49Å; P66-R85 WeakPolarHBondContact CA-O 3.33Å |
| 67 | T | 96.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -63 | 133.6 | 168 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | L72 L78 D82 L83 E84 R85 R87 | T67-L72 HydrophobicContact CG2-CD2 4.46Å; T67-L78 HydrophobicContact CG2-CB 4.35Å; T67-L78 HydrophobicContact CG2-CD1 3.78Å; T67-L78 HydrophobicContact CG2-CD2 4.48Å; T67-L78 HydrophobicContact CG2-CG 4.41Å; T67-D82 VanDerWaalsContact CB-O 3.26Å; T67-D82 WeakPolarHBondContact CB-O 3.34Å; T67-D82 HydrophobicContact CG2-CB 4.46Å; T67-L83 HydrophobicContact CG2-CD2 4.37Å; T67-E84 PolarHBondContact O-N 3.46Å; T67-R85 PolarHBondContact N-O 3.14Å; T67-R85 PolarHBondContact OG1-O 3.29Å; T67-R87 WeakPolarHBondContact OG1-CG 3.29Å |
| 68 | C | 95.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 24.6 Ų | 24.6 | 34% | 0.338 | 14% | 0.137 | S | C | . | . | trans | -128.4 | 170.7 | 176.9 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | S70 D71 | C68-S70 VanDerWaalsContact C-N 3.31Å; C68-S70 PolarHBondContact O-N 3.27Å; C68-S70 PolarHBondContact SG-OG 3.04Å; C68-D71 PolarHBondContact N-OD2 3.17Å; C68-D71 WeakPolarHBondContact O-CB 3.5Å; C68-D71 PolarHBondContact O-N 3.4Å; C68-D71 VanDerWaalsContact O-N 3.11Å; C68-D71 PolarHBondContact SG-OD2 3.47Å | ||
| 69 | W | 95.8 | Very high | 96.4 | Very high | 83 Ų | 83 | 25.6 Ų | 25.6 | 31% | 0.314 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -40.2 | -176.7 | -76.5 | 111.5 | 0 | 0 | 0 | 114.2 | D71 L72 E80 L83 | W69-D71 VanDerWaalsContact C-N 3.26Å; W69-D71 PolarHBondContact O-N 3.47Å; W69-L72 HydrophobicContact CE3-CD1 3.93Å; W69-L72 HydrophobicContact CZ3-CD1 4.1Å; W69-L72 PolarHBondContact O-N 3.24Å; W69-E80 HydrophobicContact CH2-CG 4Å; W69-E80 HydrophobicContact CZ3-CG 3.78Å; W69-L83 HydrophobicContact CD2-CD1 4.19Å; W69-L83 HydrophobicContact CD2-CD2 4.27Å; W69-L83 HydrophobicContact CG-CD2 4.37Å; W69-L83 HydrophobicContact CH2-CD1 3.94Å; W69-L83 HydrophobicContact CZ2-CD1 3.53Å; W69-L83 HydrophobicContact CZ3-CD1 4.41Å |
| 70 | S | 93.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 29% | 0.287 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23.6 | -179.3 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | C68 L72 A73 | C68-S70 VanDerWaalsContact C-N 3.31Å; C68-S70 PolarHBondContact O-N 3.27Å; C68-S70 PolarHBondContact SG-OG 3.04Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.46Å; S70-A73 WeakPolarHBondContact O-CB 3.35Å; S70-A73 PolarHBondContact O-N 3.38Å |
| 71 | D | 95.9 | Very high | 96 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -65.2 | -37.5 | 175.5 | -61 | -49.3 | 0 | 0 | 0 | 110.6 | Q41 C68 W69 A73 A74 Q75 L78 R87 | Q41-D71 WeakPolarHBondContact CG-OD1 3.45Å; Q41-D71 PolarHBondContact NE2-OD1 3.31Å; C68-D71 PolarHBondContact N-OD2 3.17Å; C68-D71 WeakPolarHBondContact O-CB 3.5Å; C68-D71 PolarHBondContact O-N 3.4Å; C68-D71 VanDerWaalsContact O-N 3.11Å; C68-D71 PolarHBondContact SG-OD2 3.47Å; W69-D71 VanDerWaalsContact C-N 3.26Å; W69-D71 PolarHBondContact O-N 3.47Å; D71-A73 PolarHBondContact O-N 3.09Å; D71-A74 PolarHBondContact O-N 3Å; D71-A74 VanDerWaalsContact O-N 3.12Å; D71-Q75 WeakPolarHBondContact O-CB 3.23Å; D71-Q75 PolarHBondContact O-N 3.33Å; D71-L78 HydrophobicContact CB-CD1 4.26Å; D71-R87 IonicContact OD1-NH1 3.61Å; D71-R87 PolarHBondContact OD1-NH1 3.19Å; D71-R87 WeakPolarHBondContact OD2-CD 3.43Å; D71-R87 IonicContact OD2-NH1 3.89Å |
| 72 | L | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -65 | -14 | -177.3 | -56.2 | -176.3 | 0 | 0 | 0 | 114 | T67 W69 S70 A74 L78 E80 R414 | T67-L72 HydrophobicContact CG2-CD2 4.46Å; W69-L72 HydrophobicContact CE3-CD1 3.93Å; W69-L72 HydrophobicContact CZ3-CD1 4.1Å; W69-L72 PolarHBondContact O-N 3.24Å; S70-L72 VanDerWaalsContact C-N 3.3Å; S70-L72 PolarHBondContact O-N 3.46Å; L72-A74 PolarHBondContact O-N 2.82Å; L72-L78 HydrophobicContact CD2-CB 3.58Å; L72-E80 HydrophobicContact CD1-CG 3.98Å; L72-R414 CarbonylContact C-O 3.39Å; L72-R414 HydrophobicContact CB-CB 3.71Å; L72-R414 HydrophobicContact CD1-CB 4Å |
| 73 | A | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -70.5 | -20.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S70 D71 S358 R414 | S70-A73 WeakPolarHBondContact O-CB 3.35Å; S70-A73 PolarHBondContact O-N 3.38Å; D71-A73 PolarHBondContact O-N 3.09Å; A73-S358 WeakPolarHBondContact O-CB 3.43Å; A73-R414 VanDerWaalsContact CA-O 3.22Å; A73-R414 WeakPolarHBondContact CA-O 3.32Å; A73-R414 WeakPolarHBondContact CB-O 3.12Å; A73-R414 PolarHBondContact N-O 3.34Å; A73-R414 VanDerWaalsContact N-O 3.08Å |
| 74 | A | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.4 | -12.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | D71 L72 V356 V361 | D71-A74 PolarHBondContact O-N 3Å; D71-A74 VanDerWaalsContact O-N 3.12Å; L72-A74 PolarHBondContact O-N 2.82Å; A74-V356 HydrophobicContact CB-CG1 3.62Å; A74-V361 HydrophobicContact CB-CB 4.18Å; A74-V361 HydrophobicContact CB-CG1 4.28Å; A74-V361 HydrophobicContact CB-CG2 3.92Å |
| 75 | Q | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -96.4 | 99.7 | -176.8 | -141.9 | -66.6 | 28.1 | 0 | 0 | 110.1 | L40 A45 D71 L77 L78 S91 | L40-Q75 WeakPolarHBondContact O-CG 3.37Å; L40-Q75 PolarHBondContact O-NE2 3.37Å; A45-Q75 HydrophobicContact CB-CG 3.73Å; D71-Q75 WeakPolarHBondContact O-CB 3.23Å; D71-Q75 PolarHBondContact O-N 3.33Å; Q75-L77 VanDerWaalsContact C-N 3.35Å; Q75-L77 PolarHBondContact O-N 3.26Å; Q75-L77 VanDerWaalsContact OE1-CA 3.31Å; Q75-L77 VanDerWaalsContact OE1-CB 3.23Å; Q75-L78 HydrophobicContact CB-CD1 3.95Å; Q75-L78 HydrophobicContact CB-CG 4.36Å; Q75-L78 VanDerWaalsContact CD-CG 3.48Å; Q75-L78 HydrophobicContact CG-CD1 3.65Å; Q75-L78 HydrophobicContact CG-CG 4.07Å; Q75-L78 PolarHBondContact O-N 3.3Å; Q75-S91 PolarHBondContact NE2-OG 3.02Å | ||
| 76 | F | 96.4 | Very high | 95.8 | Very high | 12 Ų | 12 | 45 Ų | 45 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8 | -174.9 | 55.6 | -87 | 0 | 0 | 0 | 115.7 | A45 E46 K49 K449 L453 F481 L503 | A45-F76 HydrophobicContact CB-CE1 4.4Å; E46-F76 VanDerWaalsContact OE2-CE1 3.31Å; E46-F76 WeakPolarHBondContact OE2-CE1 3.48Å; K49-F76 HydrophobicContact CB-CE2 4.02Å; K49-F76 HydrophobicContact CB-CZ 3.52Å; K49-F76 HydrophobicContact CD-CE2 4.08Å; K49-F76 HydrophobicContact CD-CZ 3.74Å; K49-F76 HydrophobicContact CG-CE2 3.91Å; K49-F76 HydrophobicContact CG-CZ 3.75Å; F76-K449 HydrophobicContact CB-CD 4.31Å; F76-K449 HydrophobicContact CB-CG 3.99Å; F76-K449 HydrophobicContact CD1-CD 3.72Å; F76-K449 HydrophobicContact CD1-CG 4.31Å; F76-K449 HydrophobicContact CE1-CD 4.19Å; F76-K449 HydrophobicContact CG-CD 3.92Å; F76-K449 HydrophobicContact CG-CG 4.14Å; F76-L453 HydrophobicContact CB-CD1 4.08Å; F76-L453 HydrophobicContact CB-CD2 4.33Å; F76-F481 AromaticContact CD2-CE2 3.97Å; F76-F481 HydrophobicContact CD2-CE2 3.97Å; F76-F481 HydrophobicContact CE2-CE2 4.11Å; F76-L503 HydrophobicContact CB-CD2 3.94Å; F76-L503 WeakPolarHBondContact O-CD2 3.39Å |
| 77 | L | 96.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -13.9 | 174.5 | -54.5 | 162.2 | 0 | 0 | 0 | 111.7 | A45 Q75 L94 L95 | A45-L77 HydrophobicContact CB-CD1 4.11Å; Q75-L77 VanDerWaalsContact C-N 3.35Å; Q75-L77 PolarHBondContact O-N 3.26Å; Q75-L77 VanDerWaalsContact OE1-CA 3.31Å; Q75-L77 VanDerWaalsContact OE1-CB 3.23Å; L77-L94 HydrophobicContact CB-CD1 4.38Å; L77-L94 HydrophobicContact CD2-CB 3.8Å; L77-L94 WeakPolarHBondContact O-CD1 3.49Å; L77-L95 HydrophobicContact CD1-CD1 3.77Å; L77-L95 HydrophobicContact CD1-CD2 3.81Å; L77-L95 HydrophobicContact CD1-CG 3.53Å; L77-L95 HydrophobicContact CD2-CD2 4.46Å; L77-L95 HydrophobicContact CD2-CG 4.28Å |
| 78 | L | 96.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | trans | -100.9 | 153.2 | -179.7 | -61.3 | 173 | 0 | 0 | 0 | 110.9 | T67 D71 L72 Q75 D82 R87 A90 | T67-L78 HydrophobicContact CG2-CB 4.35Å; T67-L78 HydrophobicContact CG2-CD1 3.78Å; T67-L78 HydrophobicContact CG2-CD2 4.48Å; T67-L78 HydrophobicContact CG2-CG 4.41Å; D71-L78 HydrophobicContact CB-CD1 4.26Å; L72-L78 HydrophobicContact CD2-CB 3.58Å; Q75-L78 HydrophobicContact CB-CD1 3.95Å; Q75-L78 HydrophobicContact CB-CG 4.36Å; Q75-L78 VanDerWaalsContact CD-CG 3.48Å; Q75-L78 HydrophobicContact CG-CD1 3.65Å; Q75-L78 HydrophobicContact CG-CG 4.07Å; Q75-L78 PolarHBondContact O-N 3.3Å; L78-D82 HydrophobicContact CD2-CB 4.12Å; L78-R87 HydrophobicContact CD1-CG 4.19Å; L78-A90 HydrophobicContact CD2-CB 3.54Å | ||
| 79 | S | 94.4 | Very high | 96 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | trans | -138.8 | 174.1 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | Q81 D82 | S79-Q81 PolarHBondContact O-N 3.23Å; S79-Q81 WeakPolarHBondContact OG-CG 3.4Å; S79-Q81 PolarHBondContact OG-NE2 3.17Å; S79-Q81 VanDerWaalsContact OG-NE2 3.16Å; S79-D82 PolarHBondContact N-OD2 3.36Å; S79-D82 WeakPolarHBondContact O-CB 3.31Å; S79-D82 PolarHBondContact O-N 2.8Å; S79-D82 PolarHBondContact OG-OD2 3.19Å | ||
| 80 | E | 94.5 | Very high | 96.1 | Very high | 101 Ų | 101 | 41.3 Ų | 41.3 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -62.1 | -27.3 | -177.6 | -62.5 | -177.6 | -166.3 | 0 | 0 | 113.1 | W69 L72 D82 L83 | W69-E80 HydrophobicContact CH2-CG 4Å; W69-E80 HydrophobicContact CZ3-CG 3.78Å; L72-E80 HydrophobicContact CD1-CG 3.98Å; E80-D82 PolarHBondContact O-N 3.03Å; E80-L83 WeakPolarHBondContact O-CD1 2.93Å; E80-L83 WeakPolarHBondContact O-CG 3.42Å; E80-L83 PolarHBondContact O-N 3.43Å |
| 81 | Q | 95.2 | Very high | 96.3 | Very high | 161 Ų | 161 | 39.3 Ų | 39.3 | 75% | 0.752 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -68.6 | -12.9 | 173.4 | 53.4 | 170.4 | 20.9 | 0 | 0 | 113.5 | S79 | S79-Q81 PolarHBondContact O-N 3.23Å; S79-Q81 WeakPolarHBondContact OG-CG 3.4Å; S79-Q81 PolarHBondContact OG-NE2 3.17Å; S79-Q81 VanDerWaalsContact OG-NE2 3.16Å |
| 82 | D | 96.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -96.3 | -4.7 | -178.9 | -56.9 | -58.4 | 0 | 0 | 0 | 113.4 | T67 L78 S79 E80 E84 R85 A90 | T67-D82 VanDerWaalsContact CB-O 3.26Å; T67-D82 WeakPolarHBondContact CB-O 3.34Å; T67-D82 HydrophobicContact CG2-CB 4.46Å; L78-D82 HydrophobicContact CD2-CB 4.12Å; S79-D82 PolarHBondContact N-OD2 3.36Å; S79-D82 WeakPolarHBondContact O-CB 3.31Å; S79-D82 PolarHBondContact O-N 2.8Å; S79-D82 PolarHBondContact OG-OD2 3.19Å; E80-D82 PolarHBondContact O-N 3.03Å; D82-E84 PolarHBondContact O-N 3.31Å; D82-R85 VanDerWaalsContact O-CB 3.29Å; D82-R85 WeakPolarHBondContact O-CB 3.34Å; D82-R85 PolarHBondContact O-N 2.89Å; D82-R85 IonicContact OD1-CZ 3.64Å; D82-R85 IonicContact OD1-NH1 2.99Å; D82-R85 PolarHBondContact OD1-NH1 2.98Å; D82-A90 HydrophobicContact CB-CB 4.09Å |
| 83 | L | 96.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 138.2 | 176.3 | -69.8 | 169.9 | 0 | 0 | 0 | 110.6 | T67 W69 E80 R85 | T67-L83 HydrophobicContact CG2-CD2 4.37Å; W69-L83 HydrophobicContact CD2-CD1 4.19Å; W69-L83 HydrophobicContact CD2-CD2 4.27Å; W69-L83 HydrophobicContact CG-CD2 4.37Å; W69-L83 HydrophobicContact CH2-CD1 3.94Å; W69-L83 HydrophobicContact CZ2-CD1 3.53Å; W69-L83 HydrophobicContact CZ3-CD1 4.41Å; E80-L83 WeakPolarHBondContact O-CD1 2.93Å; E80-L83 WeakPolarHBondContact O-CG 3.42Å; E80-L83 PolarHBondContact O-N 3.43Å; L83-R85 PolarHBondContact O-N 3.43Å; L83-R85 VanDerWaalsContact O-N 3.12Å |
| 84 | E | 94.3 | Very high | 96.4 | Very high | 172 Ų | 172 | 51.4 Ų | 51.4 | 80% | 0.804 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | -11.8 | -177.4 | -48.7 | -179.3 | 162.8 | 0 | 0 | 116.2 | P66 T67 D82 | P66-E84 WeakPolarHBondContact CB-O 3.47Å; T67-E84 PolarHBondContact O-N 3.46Å; D82-E84 PolarHBondContact O-N 3.31Å |
| 85 | R | 95.7 | Very high | 96.4 | Very high | 122 Ų | 122 | 51.4 Ų | 51.4 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -77.4 | 155.8 | 172.7 | -60.7 | 176.1 | 62.9 | -160.2 | -0.2 | 110.8 | P66 T67 D82 L83 R87 | P66-R85 CarbonylContact C-O 3.49Å; P66-R85 WeakPolarHBondContact CA-O 3.33Å; T67-R85 PolarHBondContact N-O 3.14Å; T67-R85 PolarHBondContact OG1-O 3.29Å; D82-R85 VanDerWaalsContact O-CB 3.29Å; D82-R85 WeakPolarHBondContact O-CB 3.34Å; D82-R85 PolarHBondContact O-N 2.89Å; D82-R85 IonicContact OD1-CZ 3.64Å; D82-R85 IonicContact OD1-NH1 2.99Å; D82-R85 PolarHBondContact OD1-NH1 2.98Å; L83-R85 PolarHBondContact O-N 3.43Å; L83-R85 VanDerWaalsContact O-N 3.12Å; R85-R87 PolarHBondContact O-N 3.24Å |
| 86 | S | 96.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -57.7 | 131.1 | 172.2 | 160.4 | 0 | 0 | 0 | 0 | 110.6 | D63 A88 E89 A90 | D63-S86 PolarHBondContact O-OG 3.42Å; S86-A88 VanDerWaalsContact C-N 3.29Å; S86-A88 PolarHBondContact O-N 3.27Å; S86-A88 PolarHBondContact OG-N 2.87Å; S86-E89 PolarHBondContact O-N 3.31Å; S86-E89 PolarHBondContact OG-N 3.45Å; S86-A90 VanDerWaalsContact O-CB 3.31Å; S86-A90 WeakPolarHBondContact O-CB 3.48Å; S86-A90 PolarHBondContact O-N 3.28Å |
| 87 | R | 97.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 178.4 | -69.2 | -178.5 | -65.4 | -155.7 | 6.2 | 112.2 | L40 Q41 D63 H65 T67 D71 L78 R85 S91 | L40-R87 HydrophobicContact CB-CB 4.04Å; Q41-R87 VanDerWaalsContact CG-NH1 3.25Å; Q41-R87 VanDerWaalsContact NE2-NH1 3.12Å; D63-R87 HydrophobicContact CB-CB 4.29Å; D63-R87 IonicContact OD1-CZ 3.23Å; D63-R87 IonicContact OD1-NE 3.49Å; D63-R87 IonicContact OD1-NH2 3.2Å; D63-R87 PolarHBondContact OD1-NH2 2.88Å; D63-R87 IonicContact OD2-CZ 2.99Å; D63-R87 IonicContact OD2-NE 2.88Å; D63-R87 PolarHBondContact OD2-NE 2.96Å; D63-R87 IonicContact OD2-NH2 2.76Å; D63-R87 PolarHBondContact OD2-NH2 3.46Å; H65-R87 VanDerWaalsContact CB-NH2 3.28Å; H65-R87 PolarHBondContact O-N 2.85Å; H65-R87 VanDerWaalsContact O-N 3.1Å; T67-R87 WeakPolarHBondContact OG1-CG 3.29Å; D71-R87 IonicContact OD1-NH1 3.61Å; D71-R87 PolarHBondContact OD1-NH1 3.19Å; D71-R87 WeakPolarHBondContact OD2-CD 3.43Å; D71-R87 IonicContact OD2-NH1 3.89Å; L78-R87 HydrophobicContact CD1-CG 4.19Å; R85-R87 PolarHBondContact O-N 3.24Å; R87-S91 VanDerWaalsContact O-CB 3.25Å; R87-S91 WeakPolarHBondContact O-CB 3.43Å; R87-S91 PolarHBondContact O-N 2.88Å; R87-S91 PolarHBondContact O-OG 3.34Å |
| 88 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -46.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L61 D63 S86 S91 Q92 V106 | L61-A88 HydrophobicContact CB-CB 4.04Å; D63-A88 HydrophobicContact CB-CB 4.03Å; D63-A88 PolarHBondContact O-N 3.26Å; S86-A88 VanDerWaalsContact C-N 3.29Å; S86-A88 PolarHBondContact O-N 3.27Å; S86-A88 PolarHBondContact OG-N 2.87Å; A88-S91 PolarHBondContact O-N 2.97Å; A88-Q92 PolarHBondContact O-N 2.92Å; A88-Q92 VanDerWaalsContact O-N 3.16Å; A88-V106 HydrophobicContact CB-CG1 3.92Å; A88-V106 HydrophobicContact CB-CG2 4.35Å |
| 89 | E | 97.2 | Very high | 96.3 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 178.5 | -66.2 | -179.6 | 159.8 | 0 | 0 | 112.2 | S86 S91 V106 | S86-E89 PolarHBondContact O-N 3.31Å; S86-E89 PolarHBondContact OG-N 3.45Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.16Å; E89-V106 HydrophobicContact CG-CG1 4.02Å |
| 90 | A | 97.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66 | -29.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L78 D82 S86 | L78-A90 HydrophobicContact CD2-CB 3.54Å; D82-A90 HydrophobicContact CB-CB 4.09Å; S86-A90 VanDerWaalsContact O-CB 3.31Å; S86-A90 WeakPolarHBondContact O-CB 3.48Å; S86-A90 PolarHBondContact O-N 3.28Å |
| 91 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -86.9 | -21.4 | -176.8 | -61.1 | 0 | 0 | 0 | 0 | 114.4 | Q75 R87 A88 E89 E93 L94 L95 | Q75-S91 PolarHBondContact NE2-OG 3.02Å; R87-S91 VanDerWaalsContact O-CB 3.25Å; R87-S91 WeakPolarHBondContact O-CB 3.43Å; R87-S91 PolarHBondContact O-N 2.88Å; R87-S91 PolarHBondContact O-OG 3.34Å; A88-S91 PolarHBondContact O-N 2.97Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.16Å; S91-E93 PolarHBondContact O-N 3.35Å; S91-L94 PolarHBondContact O-N 3.05Å; S91-L95 PolarHBondContact O-N 3Å; S91-L95 VanDerWaalsContact O-N 3.12Å |
| 92 | Q | 97.8 | Very high | 96.1 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.2 | -50.1 | -167.3 | -174.5 | -80.1 | -26 | 0 | 0 | 112.9 | A88 L95 A96 V104 V106 | A88-Q92 PolarHBondContact O-N 2.92Å; A88-Q92 VanDerWaalsContact O-N 3.16Å; Q92-L95 PolarHBondContact O-N 3.34Å; Q92-A96 WeakPolarHBondContact O-CB 3.47Å; Q92-A96 PolarHBondContact O-N 2.95Å; Q92-V104 HydrophobicContact CG-CG1 4.18Å; Q92-V104 PolarHBondContact NE2-O 3.13Å; Q92-V106 HydrophobicContact CB-CG2 3.7Å; Q92-V106 HydrophobicContact CG-CG2 3.78Å |
| 93 | E | 96.5 | Very high | 96.2 | Very high | 126 Ų | 126 | 61.7 Ų | 61.7 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.3 | -45.7 | -172.4 | -168.3 | -171.5 | 160 | 0 | 0 | 111.1 | S91 L95 A96 Q97 | S91-E93 PolarHBondContact O-N 3.35Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.49Å; E93-A96 PolarHBondContact O-N 3.44Å; E93-Q97 VanDerWaalsContact O-CG 3.29Å; E93-Q97 WeakPolarHBondContact O-CG 3.49Å; E93-Q97 PolarHBondContact O-N 3.48Å; E93-Q97 PolarHBondContact OE1-NE2 3.16Å; E93-Q97 VanDerWaalsContact OE1-NE2 3.1Å |
| 94 | L | 95.9 | Very high | 96.3 | Very high | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | -179.4 | -70.4 | 175.5 | 0 | 0 | 0 | 112.2 | L77 S91 | L77-L94 HydrophobicContact CB-CD1 4.38Å; L77-L94 HydrophobicContact CD2-CB 3.8Å; L77-L94 WeakPolarHBondContact O-CD1 3.49Å; S91-L94 PolarHBondContact O-N 3.05Å |
| 95 | L | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -50.4 | 171.7 | -80.9 | 166.3 | 0 | 0 | 0 | 111.2 | A48 K49 V52 L61 L77 S91 Q92 E93 Q97 L98 V104 | A48-L95 HydrophobicContact CB-CD1 3.86Å; A48-L95 HydrophobicContact CB-CD2 4.02Å; K49-L95 HydrophobicContact CB-CD2 4.23Å; V52-L95 WeakPolarHBondContact CG1-O 3.22Å; V52-L95 HydrophobicContact CG2-CD2 4.35Å; L61-L95 HydrophobicContact CD1-CD1 3.65Å; L61-L95 HydrophobicContact CD2-CD1 4.23Å; L77-L95 HydrophobicContact CD1-CD1 3.77Å; L77-L95 HydrophobicContact CD1-CD2 3.81Å; L77-L95 HydrophobicContact CD1-CG 3.53Å; L77-L95 HydrophobicContact CD2-CD2 4.46Å; L77-L95 HydrophobicContact CD2-CG 4.28Å; S91-L95 PolarHBondContact O-N 3Å; S91-L95 VanDerWaalsContact O-N 3.12Å; Q92-L95 PolarHBondContact O-N 3.34Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.49Å; L95-Q97 PolarHBondContact O-N 3.42Å; L95-Q97 VanDerWaalsContact O-N 3.14Å; L95-L98 HydrophobicContact CD2-CD1 4.09Å; L95-L98 VanDerWaalsContact O-CB 3.32Å; L95-L98 WeakPolarHBondContact O-CB 3.14Å; L95-L98 PolarHBondContact O-N 3.2Å; L95-V104 HydrophobicContact CB-CG1 4.22Å; L95-V104 HydrophobicContact CB-CG2 4.41Å |
| 96 | A | 97.1 | Very high | 96.6 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -30.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q92 E93 L98 N99 V104 | Q92-A96 WeakPolarHBondContact O-CB 3.47Å; Q92-A96 PolarHBondContact O-N 2.95Å; E93-A96 PolarHBondContact O-N 3.44Å; A96-L98 VanDerWaalsContact C-N 3.31Å; A96-L98 PolarHBondContact O-N 2.72Å; A96-N99 CarbonylContact O-C 3.58Å; A96-V104 HydrophobicContact CB-CB 4.16Å; A96-V104 HydrophobicContact CB-CG2 4.14Å |
| 97 | Q | 95.7 | Very high | 96.6 | Very high | 76 Ų | 76 | 52 Ų | 52 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.9 | 176.2 | -71.7 | 175.7 | 19.7 | 0 | 0 | 114.3 | E93 L95 N99 | E93-Q97 VanDerWaalsContact O-CG 3.29Å; E93-Q97 WeakPolarHBondContact O-CG 3.49Å; E93-Q97 PolarHBondContact O-N 3.48Å; E93-Q97 PolarHBondContact OE1-NE2 3.16Å; E93-Q97 VanDerWaalsContact OE1-NE2 3.1Å; L95-Q97 PolarHBondContact O-N 3.42Å; L95-Q97 VanDerWaalsContact O-N 3.14Å; Q97-N99 VanDerWaalsContact C-N 3.34Å |
| 98 | L | 95.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -37.9 | 177.5 | -63.2 | 179.4 | 0 | 0 | 0 | 111.5 | K49 V52 L53 L95 A96 F481 | K49-L98 HydrophobicContact CB-CD1 4.2Å; K49-L98 HydrophobicContact CG-CD1 3.69Å; V52-L98 HydrophobicContact CG1-CB 3.86Å; L53-L98 HydrophobicContact CD2-CB 4.27Å; L95-L98 HydrophobicContact CD2-CD1 4.09Å; L95-L98 VanDerWaalsContact O-CB 3.32Å; L95-L98 WeakPolarHBondContact O-CB 3.14Å; L95-L98 PolarHBondContact O-N 3.2Å; A96-L98 VanDerWaalsContact C-N 3.31Å; A96-L98 PolarHBondContact O-N 2.72Å; L98-F481 HydrophobicContact CD2-CB 4.24Å; L98-F481 HydrophobicContact CD2-CD2 4.27Å |
| 99 | N | 95.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | trans | -151.3 | 103.2 | 178.8 | -170.1 | -11.1 | 0 | 0 | 0 | 110.9 | Y15 V52 A96 Q97 A101 V102 | Y15-N99 PolarHBondContact OH-ND2 2.93Å; V52-N99 HydrophobicContact CG1-CB 3.62Å; V52-N99 VanDerWaalsContact O-CB 3.26Å; V52-N99 WeakPolarHBondContact O-CB 3.47Å; V52-N99 PolarHBondContact O-ND2 2.77Å; A96-N99 CarbonylContact O-C 3.58Å; Q97-N99 VanDerWaalsContact C-N 3.34Å; N99-A101 PolarHBondContact O-N 2.91Å; N99-A101 VanDerWaalsContact O-N 3.11Å; N99-A101 WeakPolarHBondContact OD1-CB 3.41Å; N99-A101 PolarHBondContact OD1-N 2.91Å; N99-V102 HydrophobicContact CB-CG2 4.01Å; N99-V102 PolarHBondContact O-N 3.34Å | ||
| 100 | R | 91.8 | Very high | 96.1 | Very high | 206 Ų | 206 | 58.9 Ų | 58.9 | 78% | 0.777 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13 | -177.1 | -64.1 | -173.7 | 180 | -173.2 | 0.2 | 114.1 | V102 | R100-V102 VanDerWaalsContact C-N 3.3Š|
| 101 | A | 91.8 | Very high | 96 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 60% | 0.603 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -17.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N99 | N99-A101 PolarHBondContact O-N 2.91Å; N99-A101 VanDerWaalsContact O-N 3.11Å; N99-A101 WeakPolarHBondContact OD1-CB 3.41Å; N99-A101 PolarHBondContact OD1-N 2.91Å |
| 102 | V | 96.7 | Very high | 95.9 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -94 | 126.4 | -179 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | V52 V56 L59 N99 R100 V104 | V52-V102 HydrophobicContact CG1-CB 4.22Å; V52-V102 HydrophobicContact CG1-CG1 4.49Å; V52-V102 HydrophobicContact CG1-CG2 4.29Å; V52-V102 HydrophobicContact CG2-CG1 4.12Å; V52-V102 WeakPolarHBondContact O-CG2 3.45Å; V56-V102 HydrophobicContact CG2-CG1 3.86Å; V56-V102 WeakPolarHBondContact O-CB 3.45Å; V56-V102 WeakPolarHBondContact O-CG1 3.5Å; V56-V102 WeakPolarHBondContact O-CG2 3.4Å; L59-V102 HydrophobicContact CB-CG1 4.4Å; N99-V102 HydrophobicContact CB-CG2 4.01Å; N99-V102 PolarHBondContact O-N 3.34Å; R100-V102 VanDerWaalsContact C-N 3.3Å; V102-V104 HydrophobicContact CG1-CG2 4.17Å; V102-V104 PolarHBondContact O-N 3.32Å |
| 103 | Q | 98 | Very high | 95.8 | Very high | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 108 | 173.7 | -171 | -174.3 | 1.1 | 0 | 0 | 110.1 | G57 S58 L59 V105 | G57-Q103 PolarHBondContact O-N 3.43Å; S58-Q103 CarbonylContact C-O 3.47Å; S58-Q103 VanDerWaalsContact CA-O 3.25Å; S58-Q103 WeakPolarHBondContact CA-O 3.15Å; L59-Q103 PolarHBondContact N-O 3.14Å; Q103-V105 HydrophobicContact CG-CG2 3.8Å |
| 104 | V | 98.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.055 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.8 | 175.4 | -171.5 | 0 | 0 | 0 | 0 | 110 | V52 L59 L61 Q92 L95 A96 V102 | V52-V104 HydrophobicContact CG2-CG2 3.96Å; L59-V104 CarbonylContact O-C 3.55Å; L59-V104 WeakPolarHBondContact O-CA 3.44Å; L61-V104 HydrophobicContact CD1-CG1 3.74Å; L61-V104 HydrophobicContact CG-CG1 4.03Å; Q92-V104 HydrophobicContact CG-CG1 4.18Å; Q92-V104 PolarHBondContact NE2-O 3.13Å; L95-V104 HydrophobicContact CB-CG1 4.22Å; L95-V104 HydrophobicContact CB-CG2 4.41Å; A96-V104 HydrophobicContact CB-CB 4.16Å; A96-V104 HydrophobicContact CB-CG2 4.14Å; V102-V104 HydrophobicContact CG1-CG2 4.17Å; V102-V104 PolarHBondContact O-N 3.32Å |
| 105 | V | 98.1 | Very high | 95.8 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 34% | 0.339 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149 | -175.6 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | L59 T60 L61 Q103 | L59-V105 PolarHBondContact O-N 3.18Å; T60-V105 CarbonylContact C-O 3.24Å; T60-V105 WeakPolarHBondContact CA-O 3.21Å; L61-V105 PolarHBondContact N-O 3.36Å; Q103-V105 HydrophobicContact CG-CG2 3.8Å |
| 106 | V | 98.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.3 | 172.2 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | L61 A88 E89 Q92 T108 | L61-V106 HydrophobicContact CB-CG2 4.43Å; L61-V106 WeakPolarHBondContact O-CA 3.44Å; A88-V106 HydrophobicContact CB-CG1 3.92Å; A88-V106 HydrophobicContact CB-CG2 4.35Å; E89-V106 HydrophobicContact CG-CG1 4.02Å; Q92-V106 HydrophobicContact CB-CG2 3.7Å; Q92-V106 HydrophobicContact CG-CG2 3.78Å; V106-T108 HydrophobicContact CG1-CG2 4.06Å |
| 107 | H | 97.6 | Very high | 95.8 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | trans | -102.6 | 126.2 | 168.2 | -179 | 64.3 | 0 | 0 | 0 | 109.3 | T60 L61 H62 G109 D110 L115 | T60-H107 HydrophobicContact CG2-CB 3.75Å; L61-H107 PolarHBondContact O-N 3.35Å; H62-H107 AromaticContact CD2-CD2 3.74Å; H107-G109 PolarHBondContact CD2-O 3.13Å; H107-G109 VanDerWaalsContact NE2-C 3.25Å; H107-G109 PolarHBondContact NE2-O 3.21Å; H107-D110 PolarHBondContact NE2-O 3.49Å; H107-L115 VanDerWaalsContact NE2-CD2 3.34Å; H107-L115 WeakPolarHBondContact NE2-CD2 3.44Å | ||
| 108 | T | 94.2 | Very high | 95.9 | Very high | 98 Ų | 98 | 64.6 Ų | 64.6 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | trans | -107 | -9.8 | -175.8 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | V106 | V106-T108 HydrophobicContact CG1-CG2 4.06Š| ||
| 109 | G | 93.3 | Very high | 96 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -89.7 | 179.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H62 H107 | H62-G109 PolarHBondContact CD2-O 2.78Å; H62-G109 PolarHBondContact NE2-O 2.95Å; H107-G109 PolarHBondContact CD2-O 3.13Å; H107-G109 VanDerWaalsContact NE2-C 3.25Å; H107-G109 PolarHBondContact NE2-O 3.21Å |
| 110 | D | 93.6 | Very high | 96.1 | Very high | 139 Ų | 139 | 67.7 Ų | 67.7 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | trans | -64.7 | 155.4 | 174.9 | -64.3 | -34.7 | 0 | 0 | 0 | 112 | H107 T112 | H107-D110 PolarHBondContact NE2-O 3.49Å; D110-T112 PolarHBondContact O-N 3.34Å | ||
| 111 | I | 95.2 | Very high | 96.5 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | trans | -79.3 | 105.2 | 169.7 | -60.1 | 174.9 | 0 | 0 | 0 | 108.7 | S38 L116 L124 V135 | S38-I111 WeakPolarHBondContact OG-CD1 3.34Å; I111-L116 HydrophobicContact CG2-CD1 4.26Å; I111-L116 HydrophobicContact CG2-CD2 3.61Å; I111-L116 HydrophobicContact CG2-CG 3.95Å; I111-L124 HydrophobicContact CD1-CD2 4.25Å; I111-V135 HydrophobicContact CG2-CG2 4.06Å | ||
| 112 | T | 95.8 | Very high | 96.8 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | trans | -101.6 | 161.1 | 178.9 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | D110 D114 L115 L116 | D110-T112 PolarHBondContact O-N 3.34Å; T112-D114 VanDerWaalsContact C-N 3.32Å; T112-D114 PolarHBondContact O-N 3.03Å; T112-L115 PolarHBondContact O-N 3.47Å; T112-L115 WeakPolarHBondContact OG1-CB 3.37Å; T112-L115 PolarHBondContact OG1-N 2.85Å; T112-L116 WeakPolarHBondContact O-CG 3.38Å; T112-L116 PolarHBondContact O-N 3.12Å | ||
| 113 | E | 96.3 | Very high | 96.9 | Very high | 76 Ų | 76 | 54 Ų | 54 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 175.2 | -173.7 | 170.1 | -166.4 | 0 | 0 | 111.4 | L115 L116 L117 L138 K141 H142 | E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 2.85Å; E113-L116 PolarHBondContact O-N 3.18Å; E113-L117 PolarHBondContact O-N 3.08Å; E113-L138 HydrophobicContact CB-CD1 4.2Å; E113-L138 HydrophobicContact CB-CD2 4.37Å; E113-L138 HydrophobicContact CG-CD2 3.94Å; E113-K141 IonicContact OE1-NZ 3.07Å; E113-K141 PolarHBondContact OE1-NZ 3.42Å; E113-H142 IonicContact OE1-CE1 3.31Å; E113-H142 PolarHBondContact OE1-CE1 3.07Å; E113-H142 IonicContact OE1-NE2 3.01Å; E113-H142 PolarHBondContact OE1-NE2 3.42Å |
| 114 | D | 95.8 | Very high | 96.9 | Very high | 129 Ų | 129 | 48 Ų | 48 | 69% | 0.69 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.3 | -40 | 178 | -65.8 | -35.6 | 0 | 0 | 0 | 112.7 | T112 L116 L117 | T112-D114 VanDerWaalsContact C-N 3.32Å; T112-D114 PolarHBondContact O-N 3.03Å; D114-L116 VanDerWaalsContact C-N 3.35Å; D114-L117 PolarHBondContact O-N 3.24Å |
| 115 | L | 96.3 | Very high | 96.9 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.6 | 176.4 | 68.3 | 0 | 0 | 0 | 111.5 | H107 T112 E113 L117 D118 F119 | H107-L115 VanDerWaalsContact NE2-CD2 3.34Å; H107-L115 WeakPolarHBondContact NE2-CD2 3.44Å; T112-L115 PolarHBondContact O-N 3.47Å; T112-L115 WeakPolarHBondContact OG1-CB 3.37Å; T112-L115 PolarHBondContact OG1-N 2.85Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 2.85Å; L115-L117 PolarHBondContact O-N 2.91Å; L115-D118 WeakPolarHBondContact O-CB 3.25Å; L115-D118 PolarHBondContact O-N 2.98Å; L115-F119 HydrophobicContact CD1-CE2 3.82Å; L115-F119 HydrophobicContact CD1-CZ 4.34Å; L115-F119 HydrophobicContact CG-CE2 3.93Å; L115-F119 WeakPolarHBondContact O-CD2 3.31Å; L115-F119 VanDerWaalsContact O-CE2 3.26Å; L115-F119 WeakPolarHBondContact O-CE2 3.45Å |
| 116 | L | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -29.9 | -177 | -66.7 | 171.4 | 0 | 0 | 0 | 112.3 | L36 I111 T112 E113 D114 D118 F119 V122 V135 L138 | L36-L116 HydrophobicContact CD2-CD2 4.17Å; I111-L116 HydrophobicContact CG2-CD1 4.26Å; I111-L116 HydrophobicContact CG2-CD2 3.61Å; I111-L116 HydrophobicContact CG2-CG 3.95Å; T112-L116 WeakPolarHBondContact O-CG 3.38Å; T112-L116 PolarHBondContact O-N 3.12Å; E113-L116 PolarHBondContact O-N 3.18Å; D114-L116 VanDerWaalsContact C-N 3.35Å; L116-D118 PolarHBondContact O-N 2.74Å; L116-F119 PolarHBondContact O-N 2.71Å; L116-V122 HydrophobicContact CD2-CB 4.48Å; L116-V122 HydrophobicContact CD2-CG1 4.05Å; L116-V122 HydrophobicContact CD2-CG2 3.74Å; L116-V135 HydrophobicContact CD1-CG1 4.13Å; L116-V135 HydrophobicContact CD2-CG1 3.98Å; L116-L138 HydrophobicContact CD1-CB 3.84Å; L116-L138 HydrophobicContact CD1-CD1 4.06Å |
| 117 | L | 97.1 | Very high | 96.2 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.2 | 179.2 | -63.4 | 176.4 | 0 | 0 | 0 | 113.7 | E113 D114 L115 F119 H142 | E113-L117 PolarHBondContact O-N 3.08Å; D114-L117 PolarHBondContact O-N 3.24Å; L115-L117 PolarHBondContact O-N 2.91Å; L117-F119 VanDerWaalsContact C-N 3.26Å; L117-F119 PolarHBondContact O-N 2.85Å; L117-H142 HydrophobicContact CD2-CB 3.61Å |
| 118 | D | 97.1 | Very high | 96 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.7 | 176.9 | -74.1 | -33.8 | 0 | 0 | 0 | 113.3 | R34 L115 L116 | R34-D118 VanDerWaalsContact CD-O 3.24Å; R34-D118 WeakPolarHBondContact CD-O 3.34Å; L115-D118 WeakPolarHBondContact O-CB 3.25Å; L115-D118 PolarHBondContact O-N 2.98Å; L116-D118 PolarHBondContact O-N 2.74Å |
| 119 | F | 98.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | trans | -112.1 | 148.7 | -172.6 | -58.7 | -74.3 | 0 | 0 | 0 | 112.5 | R34 L36 T60 L115 L116 L117 V122 | R34-F119 HydrophobicContact CB-CD1 4.03Å; L36-F119 HydrophobicContact CB-CD1 3.87Å; L36-F119 HydrophobicContact CB-CD2 3.85Å; L36-F119 HydrophobicContact CB-CE1 3.99Å; L36-F119 HydrophobicContact CB-CE2 3.97Å; L36-F119 HydrophobicContact CB-CG 3.8Å; L36-F119 HydrophobicContact CB-CZ 4.04Å; L36-F119 HydrophobicContact CD1-CZ 4.37Å; L36-F119 HydrophobicContact CD2-CD2 4.26Å; L36-F119 HydrophobicContact CD2-CE2 4.14Å; L36-F119 HydrophobicContact CG-CE2 4.44Å; T60-F119 HydrophobicContact CG2-CE1 4.47Å; T60-F119 HydrophobicContact CG2-CZ 4.02Å; T60-F119 WeakPolarHBondContact OG1-CE1 3.42Å; L115-F119 HydrophobicContact CD1-CE2 3.82Å; L115-F119 HydrophobicContact CD1-CZ 4.34Å; L115-F119 HydrophobicContact CG-CE2 3.93Å; L115-F119 WeakPolarHBondContact O-CD2 3.31Å; L115-F119 VanDerWaalsContact O-CE2 3.26Å; L115-F119 WeakPolarHBondContact O-CE2 3.45Å; L116-F119 PolarHBondContact O-N 2.71Å; L117-F119 VanDerWaalsContact C-N 3.26Å; L117-F119 PolarHBondContact O-N 2.85Å; F119-V122 HydrophobicContact CB-CG2 4.12Å | ||
| 120 | Q | 98.3 | Very high | 96.2 | Very high | 87 Ų | 87 | 49.1 Ų | 49.1 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -88.8 | -30.5 | 170.8 | -70.6 | 74.5 | 66.6 | 0 | 0 | 111.3 | R34 C145 | R34-Q120 PolarHBondContact O-N 3.29Å; Q120-C145 PolarHBondContact O-N 3.3Å |
| 121 | V | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.1 | 179.9 | -168.2 | 0 | 0 | 0 | 0 | 110 | V35 L36 V123 C145 L147 V372 A375 I376 | V35-V121 WeakPolarHBondContact CA-O 3.38Å; V35-V121 HydrophobicContact CG1-CB 4.32Å; V35-V121 HydrophobicContact CG2-CB 4.46Å; L36-V121 PolarHBondContact N-O 3.46Å; V121-V123 HydrophobicContact CG1-CG2 4.38Å; V121-C145 CarbonylContact C-O 3.5Å; V121-C145 VanDerWaalsContact CA-O 3.29Å; V121-C145 WeakPolarHBondContact CA-O 3.18Å; V121-C145 HydrophobicContact CB-CB 4.5Å; V121-C145 HydrophobicContact CG1-CB 4.27Å; V121-C145 HydrophobicContact CG2-CB 4.15Å; V121-L147 HydrophobicContact CG1-CD1 3.65Å; V121-V372 HydrophobicContact CB-CG1 4.25Å; V121-V372 HydrophobicContact CG1-CB 4.4Å; V121-V372 HydrophobicContact CG1-CG1 4.07Å; V121-V372 HydrophobicContact CG1-CG2 4.05Å; V121-V372 HydrophobicContact CG2-CG1 4.34Å; V121-A375 HydrophobicContact CG2-CB 3.7Å; V121-I376 HydrophobicContact CG2-CD1 4.28Å; V121-I376 HydrophobicContact CG2-CG1 3.68Å |
| 122 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.7 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | L36 L116 F119 L124 V135 V144 C145 F146 L147 | L36-V122 HydrophobicContact CB-CG2 4.24Å; L36-V122 HydrophobicContact CD2-CG1 4.12Å; L36-V122 HydrophobicContact CD2-CG2 4.39Å; L116-V122 HydrophobicContact CD2-CB 4.48Å; L116-V122 HydrophobicContact CD2-CG1 4.05Å; L116-V122 HydrophobicContact CD2-CG2 3.74Å; F119-V122 HydrophobicContact CB-CG2 4.12Å; V122-L124 HydrophobicContact CG1-CD2 4.34Å; V122-V135 HydrophobicContact CG1-CG1 3.96Å; V122-V144 HydrophobicContact CG2-CG1 3.75Å; V122-C145 PolarHBondContact N-O 2.72Å; V122-F146 HydrophobicContact CG1-CD2 4.46Å; V122-F146 WeakPolarHBondContact O-CA 3.36Å; V122-L147 PolarHBondContact O-N 3.36Å |
| 123 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.4 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 108.6 | L36 V37 S38 V47 V121 T125 L147 V372 | L36-V123 PolarHBondContact O-N 2.93Å; V37-V123 HydrophobicContact CG2-CB 4.25Å; V37-V123 HydrophobicContact CG2-CG2 4.41Å; S38-V123 PolarHBondContact N-O 3.21Å; V47-V123 HydrophobicContact CG1-CG1 4.5Å; V121-V123 HydrophobicContact CG1-CG2 4.38Å; V123-T125 HydrophobicContact CG1-CG2 4.1Å; V123-L147 WeakPolarHBondContact CA-O 3.49Å; V123-L147 HydrophobicContact CG1-CB 4.27Å; V123-L147 HydrophobicContact CG2-CB 4.35Å; V123-V372 HydrophobicContact CG2-CG2 3.45Å; V123-V372 VanDerWaalsContact CG2-CG2 3.45Å |
| 124 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.4 | 168.5 | -60.2 | -171 | 0 | 0 | 0 | 110 | I111 V122 A127 Q132 V135 F146 L147 A148 A149 | I111-L124 HydrophobicContact CD1-CD2 4.25Å; V122-L124 HydrophobicContact CG1-CD2 4.34Å; L124-A127 HydrophobicContact CB-CB 4.15Å; L124-A127 HydrophobicContact CD1-CB 4.27Å; L124-Q132 HydrophobicContact CD1-CG 4.34Å; L124-V135 HydrophobicContact CD1-CB 3.82Å; L124-V135 HydrophobicContact CD1-CG1 4.06Å; L124-V135 HydrophobicContact CD1-CG2 4.09Å; L124-V135 HydrophobicContact CD2-CG1 4.43Å; L124-V135 HydrophobicContact CG-CG1 4.4Å; L124-F146 HydrophobicContact CD1-CE2 3.74Å; L124-F146 HydrophobicContact CD1-CZ 4.03Å; L124-F146 HydrophobicContact CG-CE2 3.79Å; L124-F146 HydrophobicContact CG-CZ 4.32Å; L124-L147 PolarHBondContact N-O 3.25Å; L124-A148 WeakPolarHBondContact O-CA 3.48Å; L124-A149 PolarHBondContact O-N 2.76Å |
| 125 | T | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.9 | 170.5 | 74.3 | 0 | 0 | 0 | 0 | 110.6 | S38 G39 L43 V123 A127 A149 | S38-T125 PolarHBondContact O-N 3.47Å; S38-T125 PolarHBondContact O-OG1 3.07Å; G39-T125 PolarHBondContact O-OG1 3.01Å; L43-T125 HydrophobicContact CD2-CG2 4.2Å; L43-T125 HydrophobicContact CG-CG2 4.14Å; V123-T125 HydrophobicContact CG1-CG2 4.1Å; T125-A127 PolarHBondContact O-N 2.87Å; T125-A149 VanDerWaalsContact CA-O 3.26Å; T125-A149 WeakPolarHBondContact CA-O 3.45Å; T125-A149 HydrophobicContact CG2-CB 4.45Å |
| 126 | A | 87.4 | Confident | 96.9 | Very high | 46 Ų | 46 | 40 Ų | 40 | 38% | 0.38 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 54.7 | 23 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q41 D150 | Q41-A126 HydrophobicContact CG-CB 4.44Å; A126-D150 WeakPolarHBondContact CA-OD1 3.37Å; A126-D150 PolarHBondContact N-OD1 3.08Å |
| 127 | A | 93.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 43 Ų | 43 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | trans | -84.6 | 150 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L124 T125 Q132 | L124-A127 HydrophobicContact CB-CB 4.15Å; L124-A127 HydrophobicContact CD1-CB 4.27Å; T125-A127 PolarHBondContact O-N 2.87Å; A127-Q132 HydrophobicContact CB-CG 3.95Å; A127-Q132 PolarHBondContact O-NE2 3.04Å | ||
| 128 | K | 94.6 | Very high | 96.9 | Very high | 125 Ų | 125 | 40.3 Ų | 40.3 | 54% | 0.543 | 21% | 0.205 | S | C | . | . | trans | -67.9 | 152.5 | 173.9 | -59 | -179.9 | -177.8 | 175.9 | 0 | 110.4 | E130 E131 Q132 | K128-E130 WeakPolarHBondContact CB-OE2 3.49Å; K128-E130 PolarHBondContact O-N 3.02Å; K128-E131 WeakPolarHBondContact O-CB 3.42Å; K128-E131 PolarHBondContact O-N 3.37Å; K128-Q132 WeakPolarHBondContact O-CG 3.42Å; K128-Q132 PolarHBondContact O-N 3.5Å | ||
| 129 | L | 95.8 | Very high | 97 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 19% | 0.194 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.7 | -37.3 | -178.1 | -173.9 | 56.4 | 0 | 0 | 0 | 112.9 | E131 Q132 L133 L271 H298 | L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.05Å; L129-Q132 PolarHBondContact O-N 3.1Å; L129-L133 HydrophobicContact CD1-CD1 4.41Å; L129-L133 HydrophobicContact CD1-CG 4.29Å; L129-L133 HydrophobicContact CG-CD1 4.01Å; L129-L133 HydrophobicContact CG-CG 4.38Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.18Å; L129-L133 PolarHBondContact O-N 2.87Å; L129-L271 HydrophobicContact CD1-CD1 3.97Å; L129-H298 HydrophobicContact CB-CB 4Å; L129-H298 HydrophobicContact CD2-CB 4.07Å |
| 130 | E | 96.3 | Very high | 97 | Very high | 88 Ų | 88 | 37.4 Ų | 37.4 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 179.1 | -55.6 | 86.3 | 168.3 | 0 | 0 | 112 | K128 K134 H302 | K128-E130 WeakPolarHBondContact CB-OE2 3.49Å; K128-E130 PolarHBondContact O-N 3.02Å; E130-K134 WeakPolarHBondContact O-CB 3.46Å; E130-K134 PolarHBondContact O-N 3.27Å; E130-H302 IonicContact OE1-CE1 2.85Å; E130-H302 IonicContact OE1-CG 3.8Å; E130-H302 IonicContact OE1-ND1 3.82Å; E130-H302 PolarHBondContact OE1-ND1 2.87Å |
| 131 | E | 95.9 | Very high | 96.9 | Very high | 69 Ų | 69 | 39.8 Ų | 39.8 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -72.4 | -42.5 | 174.7 | -173.7 | 178.5 | -178.9 | 0 | 0 | 110.9 | K128 L129 L133 K134 V135 | K128-E131 WeakPolarHBondContact O-CB 3.42Å; K128-E131 PolarHBondContact O-N 3.37Å; L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.05Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.88Å; E131-K134 PolarHBondContact O-N 3.32Å; E131-V135 HydrophobicContact CG-CG2 4.37Å; E131-V135 WeakPolarHBondContact O-CB 3.42Å; E131-V135 WeakPolarHBondContact O-CG2 3.48Å; E131-V135 PolarHBondContact O-N 3.04Å |
| 132 | Q | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -46.2 | 174.8 | -64.2 | -178.4 | 9.3 | 0 | 0 | 111.5 | L124 A127 K128 L129 G136 D150 L267 | L124-Q132 HydrophobicContact CD1-CG 4.34Å; A127-Q132 HydrophobicContact CB-CG 3.95Å; A127-Q132 PolarHBondContact O-NE2 3.04Å; K128-Q132 WeakPolarHBondContact O-CG 3.42Å; K128-Q132 PolarHBondContact O-N 3.5Å; L129-Q132 PolarHBondContact O-N 3.1Å; Q132-G136 WeakPolarHBondContact O-CA 3.21Å; Q132-G136 PolarHBondContact O-N 2.85Å; Q132-D150 PolarHBondContact NE2-OD2 2.85Å; Q132-L267 HydrophobicContact CB-CD2 3.75Å |
| 133 | L | 98.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 45.7 Ų | 45.7 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -49.2 | 176.4 | -74.1 | 168.1 | 0 | 0 | 0 | 111.5 | L129 E131 V135 G136 T137 L267 D268 L271 | L129-L133 HydrophobicContact CD1-CD1 4.41Å; L129-L133 HydrophobicContact CD1-CG 4.29Å; L129-L133 HydrophobicContact CG-CD1 4.01Å; L129-L133 HydrophobicContact CG-CG 4.38Å; L129-L133 WeakPolarHBondContact O-CB 3.49Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.18Å; L129-L133 PolarHBondContact O-N 2.87Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.88Å; L133-V135 PolarHBondContact O-N 3.02Å; L133-G136 PolarHBondContact O-N 2.94Å; L133-T137 WeakPolarHBondContact O-CB 3.34Å; L133-T137 PolarHBondContact O-N 2.98Å; L133-T137 PolarHBondContact O-OG1 2.96Å; L133-L267 HydrophobicContact CD2-CD2 4.17Å; L133-L267 HydrophobicContact CD2-CG 4.09Å; L133-L267 HydrophobicContact CG-CD2 4.43Å; L133-D268 HydrophobicContact CD2-CB 3.87Å; L133-L271 HydrophobicContact CD2-CD1 3.85Å |
| 134 | K | 97.9 | Very high | 96.7 | Very high | 133 Ų | 133 | 46.1 Ų | 46.1 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.9 | -51.5 | 180 | -179.4 | -173.4 | 173.2 | -166.3 | 0 | 111.8 | E130 E131 L138 | E130-K134 WeakPolarHBondContact O-CB 3.46Å; E130-K134 PolarHBondContact O-N 3.27Å; E131-K134 PolarHBondContact O-N 3.32Å; K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.34Å; K134-L138 PolarHBondContact O-N 3.03Å |
| 135 | V | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.6 | -43.2 | -178.2 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | I111 L116 V122 L124 E131 L133 T137 L138 C139 F146 | I111-V135 HydrophobicContact CG2-CG2 4.06Å; L116-V135 HydrophobicContact CD1-CG1 4.13Å; L116-V135 HydrophobicContact CD2-CG1 3.98Å; V122-V135 HydrophobicContact CG1-CG1 3.96Å; L124-V135 HydrophobicContact CD1-CB 3.82Å; L124-V135 HydrophobicContact CD1-CG1 4.06Å; L124-V135 HydrophobicContact CD1-CG2 4.09Å; L124-V135 HydrophobicContact CD2-CG1 4.43Å; L124-V135 HydrophobicContact CG-CG1 4.4Å; E131-V135 HydrophobicContact CG-CG2 4.37Å; E131-V135 WeakPolarHBondContact O-CB 3.42Å; E131-V135 WeakPolarHBondContact O-CG2 3.48Å; E131-V135 PolarHBondContact O-N 3.04Å; L133-V135 PolarHBondContact O-N 3.02Å; V135-T137 PolarHBondContact O-N 3.3Å; V135-L138 PolarHBondContact O-N 3.46Å; V135-C139 WeakPolarHBondContact O-CB 3.25Å; V135-C139 PolarHBondContact O-N 3.43Å; V135-C139 PolarHBondContact O-SG 3.09Å; V135-C139 VanDerWaalsContact O-SG 3.4Å; V135-F146 HydrophobicContact CB-CE2 4.21Å; V135-F146 HydrophobicContact CG1-CD2 4.13Å; V135-F146 HydrophobicContact CG1-CE2 3.83Å |
| 136 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q132 L133 L138 C139 H140 | Q132-G136 WeakPolarHBondContact O-CA 3.21Å; Q132-G136 PolarHBondContact O-N 2.85Å; L133-G136 PolarHBondContact O-N 2.94Å; G136-L138 VanDerWaalsContact C-N 3.34Å; G136-L138 PolarHBondContact O-N 2.92Å; G136-C139 PolarHBondContact O-N 3.27Å; G136-H140 WeakPolarHBondContact O-CB 3.09Å; G136-H140 PolarHBondContact O-N 2.92Å |
| 137 | T | 98.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 41% | 0.411 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 112 | L133 V135 K141 | L133-T137 WeakPolarHBondContact O-CB 3.34Å; L133-T137 PolarHBondContact O-N 2.98Å; L133-T137 PolarHBondContact O-OG1 2.96Å; V135-T137 PolarHBondContact O-N 3.3Å; T137-K141 VanDerWaalsContact O-CB 3.27Å; T137-K141 WeakPolarHBondContact O-CB 3.24Å; T137-K141 PolarHBondContact O-N 3.41Å |
| 138 | L | 97.9 | Very high | 97.5 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 177.8 | -70.1 | 174.6 | 0 | 0 | 0 | 111.8 | E113 L116 K134 V135 G136 H142 | E113-L138 HydrophobicContact CB-CD1 4.2Å; E113-L138 HydrophobicContact CB-CD2 4.37Å; E113-L138 HydrophobicContact CG-CD2 3.94Å; L116-L138 HydrophobicContact CD1-CB 3.84Å; L116-L138 HydrophobicContact CD1-CD1 4.06Å; K134-L138 VanDerWaalsContact O-CG 3.3Å; K134-L138 WeakPolarHBondContact O-CG 3.34Å; K134-L138 PolarHBondContact O-N 3.03Å; V135-L138 PolarHBondContact O-N 3.46Å; G136-L138 VanDerWaalsContact C-N 3.34Å; G136-L138 PolarHBondContact O-N 2.92Å; L138-H142 PolarHBondContact O-N 3.43Å; L138-H142 PolarHBondContact O-ND1 3.01Å |
| 139 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -49 | 177 | -74.6 | 0 | 0 | 0 | 0 | 111.6 | V135 G136 K141 H142 G143 V144 F146 | V135-C139 WeakPolarHBondContact O-CB 3.25Å; V135-C139 PolarHBondContact O-N 3.43Å; V135-C139 PolarHBondContact O-SG 3.09Å; V135-C139 VanDerWaalsContact O-SG 3.4Å; G136-C139 PolarHBondContact O-N 3.27Å; C139-K141 VanDerWaalsContact C-N 3.34Å; C139-K141 PolarHBondContact O-N 2.98Å; C139-H142 CarbonylContact O-C 3.5Å; C139-H142 PolarHBondContact O-N 3.45Å; C139-H142 VanDerWaalsContact O-N 3.13Å; C139-G143 PolarHBondContact O-N 3.09Å; C139-V144 CarbonylContact C-O 3.5Å; C139-V144 HydrophobicContact CB-CB 4.07Å; C139-V144 HydrophobicContact CB-CG1 4.43Å; C139-V144 WeakPolarHBondContact CB-O 3.45Å; C139-V144 PolarHBondContact O-N 3.39Å; C139-F146 HydrophobicContact CB-CB 3.73Å; C139-F146 HydrophobicContact CB-CD2 4.3Å; C139-F146 HydrophobicContact CB-CG 4.32Å |
| 140 | H | 98.1 | Very high | 97.8 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 17% | 0.167 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 177.9 | -167.8 | 90.8 | 0 | 0 | 0 | 111.6 | G136 H142 G143 D161 H264 | G136-H140 WeakPolarHBondContact O-CB 3.09Å; G136-H140 PolarHBondContact O-N 2.92Å; H140-H142 VanDerWaalsContact C-N 3.26Å; H140-H142 PolarHBondContact O-N 3.32Å; H140-G143 PolarHBondContact O-N 2.84Å; H140-D161 WeakPolarHBondContact CB-OD2 3.41Å; H140-D161 IonicContact CE1-OD1 2.77Å; H140-D161 IonicContact CE1-OD2 3.02Å; H140-D161 IonicContact CG-OD2 3.03Å; H140-D161 IonicContact ND1-OD1 3.14Å; H140-D161 PolarHBondContact ND1-OD1 2.92Å; H140-D161 IonicContact ND1-OD2 2.86Å; H140-D161 PolarHBondContact ND1-OD2 3.49Å; H140-H264 PolarHBondContact CE1-O 2.91Å |
| 141 | K | 96.9 | Very high | 97.8 | Very high | 137 Ų | 137 | 33 Ų | 33 | 60% | 0.596 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -56.7 | -35.5 | 177.9 | 175.9 | -173.5 | 164.2 | -156.4 | 0 | 113.3 | E113 T137 C139 | E113-K141 IonicContact OE1-NZ 3.07Å; E113-K141 PolarHBondContact OE1-NZ 3.42Å; T137-K141 VanDerWaalsContact O-CB 3.27Å; T137-K141 WeakPolarHBondContact O-CB 3.24Å; T137-K141 PolarHBondContact O-N 3.41Å; C139-K141 VanDerWaalsContact C-N 3.34Å; C139-K141 PolarHBondContact O-N 2.98Å |
| 142 | H | 96.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 31.5 Ų | 31.5 | 32% | 0.319 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -102.7 | 5.4 | -176.2 | -59.5 | 96.2 | 0 | 0 | 0 | 114 | E113 L117 L138 C139 H140 V144 | E113-H142 IonicContact OE1-CE1 3.31Å; E113-H142 PolarHBondContact OE1-CE1 3.07Å; E113-H142 IonicContact OE1-NE2 3.01Å; E113-H142 PolarHBondContact OE1-NE2 3.42Å; L117-H142 HydrophobicContact CD2-CB 3.61Å; L138-H142 PolarHBondContact O-N 3.43Å; L138-H142 PolarHBondContact O-ND1 3.01Å; C139-H142 CarbonylContact O-C 3.5Å; C139-H142 PolarHBondContact O-N 3.45Å; C139-H142 VanDerWaalsContact O-N 3.13Å; H140-H142 VanDerWaalsContact C-N 3.26Å; H140-H142 PolarHBondContact O-N 3.32Å; H142-V144 VanDerWaalsContact C-N 3.26Å; H142-V144 HydrophobicContact CB-CG2 4.35Å; H142-V144 PolarHBondContact O-N 3.26Å |
| 143 | G | 95.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 57% | 0.567 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 24.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C139 H140 | C139-G143 PolarHBondContact O-N 3.09Å; H140-G143 PolarHBondContact O-N 2.84Å |
| 144 | V | 98.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | trans | -84.1 | 127.4 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | V122 C139 H142 F146 | V122-V144 HydrophobicContact CG2-CG1 3.75Å; C139-V144 CarbonylContact C-O 3.5Å; C139-V144 HydrophobicContact CB-CB 4.07Å; C139-V144 HydrophobicContact CB-CG1 4.43Å; C139-V144 WeakPolarHBondContact CB-O 3.45Å; C139-V144 PolarHBondContact O-N 3.39Å; H142-V144 VanDerWaalsContact C-N 3.26Å; H142-V144 HydrophobicContact CB-CG2 4.35Å; H142-V144 PolarHBondContact O-N 3.26Å; V144-F146 PolarHBondContact O-N 2.92Å | ||
| 145 | C | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 133.9 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | Q120 V121 V122 D161 F162 A375 | Q120-C145 PolarHBondContact O-N 3.3Å; V121-C145 CarbonylContact C-O 3.5Å; V121-C145 VanDerWaalsContact CA-O 3.29Å; V121-C145 WeakPolarHBondContact CA-O 3.18Å; V121-C145 HydrophobicContact CB-CB 4.5Å; V121-C145 HydrophobicContact CG1-CB 4.27Å; V121-C145 HydrophobicContact CG2-CB 4.15Å; V122-C145 PolarHBondContact N-O 2.72Å; C145-D161 CarbonylContact C-O 3.6Å; C145-D161 WeakPolarHBondContact CA-O 3.26Å; C145-F162 HydrophobicContact CB-CD1 4.31Å; C145-A375 HydrophobicContact CB-CB 3.94Å |
| 146 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.6 | -174.2 | 174.4 | -99.9 | 0 | 0 | 0 | 111.2 | V122 L124 V135 C139 V144 A148 F159 D161 L267 | V122-F146 HydrophobicContact CG1-CD2 4.46Å; V122-F146 WeakPolarHBondContact O-CA 3.36Å; L124-F146 HydrophobicContact CD1-CE2 3.74Å; L124-F146 HydrophobicContact CD1-CZ 4.03Å; L124-F146 HydrophobicContact CG-CE2 3.79Å; L124-F146 HydrophobicContact CG-CZ 4.32Å; V135-F146 HydrophobicContact CB-CE2 4.21Å; V135-F146 HydrophobicContact CG1-CD2 4.13Å; V135-F146 HydrophobicContact CG1-CE2 3.83Å; C139-F146 HydrophobicContact CB-CB 3.73Å; C139-F146 HydrophobicContact CB-CD2 4.3Å; C139-F146 HydrophobicContact CB-CG 4.32Å; V144-F146 PolarHBondContact O-N 2.92Å; F146-A148 HydrophobicContact CE1-CB 3.96Å; F146-A148 HydrophobicContact CZ-CB 4.01Å; F146-F159 HydrophobicContact CD1-CD1 4.14Å; F146-F159 HydrophobicContact CD1-CE1 4.07Å; F146-F159 HydrophobicContact CE1-CD1 4.07Å; F146-F159 HydrophobicContact CE1-CE1 4.25Å; F146-D161 HydrophobicContact CB-CB 4.35Å; F146-D161 HydrophobicContact CD1-CB 4.44Å; F146-D161 PolarHBondContact N-O 3.41Å; F146-D161 PolarHBondContact O-N 3.4Å; F146-L267 HydrophobicContact CE1-CD2 4.16Å |
| 147 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.2 | 172.5 | -70.3 | 73.9 | 0 | 0 | 0 | 109.7 | V121 V122 V123 L124 L158 F159 F162 E371 V372 | V121-L147 HydrophobicContact CG1-CD1 3.65Å; V122-L147 PolarHBondContact O-N 3.36Å; V123-L147 WeakPolarHBondContact CA-O 3.49Å; V123-L147 HydrophobicContact CG1-CB 4.27Å; V123-L147 HydrophobicContact CG2-CB 4.35Å; L124-L147 PolarHBondContact N-O 3.25Å; L147-L158 HydrophobicContact CD2-CD1 4.33Å; L147-F159 VanDerWaalsContact CA-O 3.28Å; L147-F159 WeakPolarHBondContact CA-O 3.31Å; L147-F162 HydrophobicContact CD1-CE1 4.07Å; L147-E371 HydrophobicContact CD2-CB 3.68Å; L147-V372 HydrophobicContact CD1-CG2 4.48Å; L147-V372 HydrophobicContact CD2-CG2 3.79Å |
| 148 | A | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L124 F146 L158 F159 | L124-A148 WeakPolarHBondContact O-CA 3.48Å; F146-A148 HydrophobicContact CE1-CB 3.96Å; F146-A148 HydrophobicContact CZ-CB 4.01Å; A148-L158 CarbonylContact O-C 3.53Å; A148-L158 WeakPolarHBondContact O-CA 3.36Å; A148-F159 HydrophobicContact CB-CB 4.38Å; A148-F159 PolarHBondContact N-O 3.07Å; A148-F159 VanDerWaalsContact N-O 3.13Å; A148-F159 PolarHBondContact O-N 3.2Å |
| 149 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L43 L124 T125 Q157 L158 A368 | L43-A149 VanDerWaalsContact CD2-C 3.44Å; L43-A149 HydrophobicContact CD2-CB 3.82Å; L43-A149 VanDerWaalsContact CD2-O 3.23Å; L43-A149 WeakPolarHBondContact CD2-O 3.42Å; L124-A149 PolarHBondContact O-N 2.76Å; T125-A149 VanDerWaalsContact CA-O 3.26Å; T125-A149 WeakPolarHBondContact CA-O 3.45Å; T125-A149 HydrophobicContact CG2-CB 4.45Å; A149-Q157 VanDerWaalsContact CA-O 3.3Å; A149-Q157 WeakPolarHBondContact CA-O 3.4Å; A149-L158 HydrophobicContact CB-CD1 3.84Å; A149-A368 HydrophobicContact CB-CB 4.36Å |
| 150 | D | 97.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.3 | -179.9 | -64.8 | -60.4 | 0 | 0 | 0 | 111.4 | A126 Q132 G156 Q157 F294 L364 | A126-D150 WeakPolarHBondContact CA-OD1 3.37Å; A126-D150 PolarHBondContact N-OD1 3.08Å; Q132-D150 PolarHBondContact NE2-OD2 2.85Å; D150-G156 CarbonylContact O-C 3.54Å; D150-G156 WeakPolarHBondContact O-CA 3.37Å; D150-Q157 HydrophobicContact CB-CG 4.02Å; D150-Q157 PolarHBondContact N-O 3.42Å; D150-Q157 PolarHBondContact O-N 3.17Å; D150-Q157 PolarHBondContact OD2-NE2 3.32Å; D150-Q157 VanDerWaalsContact OD2-NE2 3.15Å; D150-F294 HydrophobicContact CB-CE1 4.08Å; D150-L364 WeakPolarHBondContact O-CD2 3.23Å |
| 151 | T | 97.5 | Very high | 97.8 | Very high | 23 Ų | 23 | 16.5 Ų | 16.5 | 14% | 0.141 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.1 | 167.6 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | L43 V155 M360 V361 L364 | L43-T151 HydrophobicContact CD1-CG2 4.24Å; L43-T151 HydrophobicContact CD2-CG2 4.25Å; T151-V155 CarbonylContact C-O 3.55Å; T151-V155 WeakPolarHBondContact CA-O 3.31Å; T151-M360 HydrophobicContact CG2-CB 4.32Å; T151-V361 HydrophobicContact CG2-CG2 4.46Å; T151-L364 HydrophobicContact CG2-CB 4.21Å; T151-L364 HydrophobicContact CG2-CD2 3.61Å |
| 152 | R | 96.9 | Very high | 97.9 | Very high | 37 Ų | 37 | 10.3 Ų | 10.3 | 14% | 0.14 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 98.3 | 176.7 | -60.2 | -65.8 | -173.8 | 142.1 | 4.4 | 108.4 | L154 V155 F294 L297 | R152-L154 PolarHBondContact O-N 2.96Å; R152-L154 VanDerWaalsContact O-N 3.09Å; R152-V155 HydrophobicContact CB-CG2 4.08Å; R152-V155 PolarHBondContact N-O 2.92Å; R152-V155 VanDerWaalsContact O-CG2 3.25Å; R152-V155 WeakPolarHBondContact O-CG2 3.27Å; R152-V155 PolarHBondContact O-N 3.41Å; R152-V155 VanDerWaalsContact O-N 3.09Å; R152-F294 HydrophobicContact CB-CE1 4.43Å; R152-F294 HydrophobicContact CG-CD1 4.45Å; R152-F294 HydrophobicContact CG-CE1 3.75Å; R152-F294 HydrophobicContact CG-CZ 4.36Å; R152-L297 HydrophobicContact CB-CD1 4.4Å; R152-L297 HydrophobicContact CG-CD1 4.21Å |
| 153 | G | 95.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -114.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S352 G355 L357 M360 | G153-S352 WeakPolarHBondContact CA-O 3.06Å; G153-G355 WeakPolarHBondContact CA-O 3.37Å; G153-G355 PolarHBondContact N-O 3.41Å; G153-L357 WeakPolarHBondContact O-CD1 3.28Å; G153-M360 WeakPolarHBondContact O-CG 3.47Å |
| 154 | L | 97.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.8 | -177.5 | -71.3 | 167.6 | 0 | 0 | 0 | 114.2 | R152 L357 M360 D390 A391 L392 C394 L395 V421 F422 L866 | R152-L154 PolarHBondContact O-N 2.96Å; R152-L154 VanDerWaalsContact O-N 3.09Å; L154-L357 HydrophobicContact CD2-CD1 3.38Å; L154-L357 HydrophobicContact CG-CD1 3.81Å; L154-M360 VanDerWaalsContact C-CE 3.48Å; L154-M360 WeakPolarHBondContact O-CE 3.39Å; L154-D390 CarbonylContact O-C 3.48Å; L154-D390 WeakPolarHBondContact O-CA 3.46Å; L154-A391 HydrophobicContact CD2-CB 4.12Å; L154-A391 PolarHBondContact O-N 3.38Å; L154-L392 HydrophobicContact CB-CD2 3.95Å; L154-L392 HydrophobicContact CD1-CD2 4.47Å; L154-C394 HydrophobicContact CD1-CB 4.17Å; L154-C394 HydrophobicContact CD2-CB 3.89Å; L154-L395 HydrophobicContact CD1-CD1 4.25Å; L154-L395 HydrophobicContact CD1-CD2 3.62Å; L154-L395 HydrophobicContact CD1-CG 3.59Å; L154-V421 HydrophobicContact CD1-CG1 3.87Å; L154-V421 HydrophobicContact CG-CG1 4.01Å; L154-F422 HydrophobicContact CD1-CE1 4.41Å; L154-F422 HydrophobicContact CD1-CZ 4.41Å; L154-F422 HydrophobicContact CD2-CZ 4.09Å; L154-L866 HydrophobicContact CD2-CD2 4.46Å |
| 155 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.8 | 173.8 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | T151 R152 L290 F294 V349 M360 F389 D390 L392 | T151-V155 CarbonylContact C-O 3.55Å; T151-V155 WeakPolarHBondContact CA-O 3.31Å; R152-V155 HydrophobicContact CB-CG2 4.08Å; R152-V155 PolarHBondContact N-O 2.92Å; R152-V155 VanDerWaalsContact O-CG2 3.25Å; R152-V155 WeakPolarHBondContact O-CG2 3.27Å; R152-V155 PolarHBondContact O-N 3.41Å; R152-V155 VanDerWaalsContact O-N 3.09Å; V155-L290 HydrophobicContact CB-CD2 4.42Å; V155-L290 HydrophobicContact CG1-CD2 3.82Å; V155-F294 HydrophobicContact CB-CE2 4.12Å; V155-F294 HydrophobicContact CB-CZ 4.32Å; V155-F294 HydrophobicContact CG2-CE2 3.75Å; V155-F294 HydrophobicContact CG2-CZ 3.75Å; V155-V349 HydrophobicContact CG1-CG2 3.67Å; V155-V349 HydrophobicContact CG2-CG1 3.78Å; V155-V349 HydrophobicContact CG2-CG2 4.4Å; V155-M360 VanDerWaalsContact C-CE 3.45Å; V155-F389 CarbonylContact C-O 3.55Å; V155-F389 WeakPolarHBondContact CA-O 3.32Å; V155-D390 HydrophobicContact CG1-CB 3.76Å; V155-L392 HydrophobicContact CG1-CD1 4.48Å; V155-L392 HydrophobicContact CG1-CD2 4.44Å; V155-L392 HydrophobicContact CG1-CG 4.4Å |
| 156 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D150 F389 | D150-G156 CarbonylContact O-C 3.54Å; D150-G156 WeakPolarHBondContact O-CA 3.37Å; G156-F389 PolarHBondContact N-O 2.97Å; G156-F389 PolarHBondContact O-N 3.24Å |
| 157 | Q | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.023 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.4 | 173.3 | 68.5 | 175.3 | 10.8 | 0 | 0 | 111 | A149 D150 F294 L364 L387 Y388 | A149-Q157 VanDerWaalsContact CA-O 3.3Å; A149-Q157 WeakPolarHBondContact CA-O 3.4Å; D150-Q157 HydrophobicContact CB-CG 4.02Å; D150-Q157 PolarHBondContact N-O 3.42Å; D150-Q157 PolarHBondContact O-N 3.17Å; D150-Q157 PolarHBondContact OD2-NE2 3.32Å; D150-Q157 VanDerWaalsContact OD2-NE2 3.15Å; Q157-F294 HydrophobicContact CB-CD1 4.48Å; Q157-F294 HydrophobicContact CB-CD2 4.24Å; Q157-F294 HydrophobicContact CB-CE1 4.27Å; Q157-F294 HydrophobicContact CB-CE2 4.02Å; Q157-F294 HydrophobicContact CB-CG 4.47Å; Q157-F294 HydrophobicContact CB-CZ 4.04Å; Q157-F294 HydrophobicContact CG-CD1 3.81Å; Q157-F294 HydrophobicContact CG-CD2 4.42Å; Q157-F294 HydrophobicContact CG-CE1 3.68Å; Q157-F294 HydrophobicContact CG-CE2 4.32Å; Q157-F294 HydrophobicContact CG-CG 4.19Å; Q157-F294 HydrophobicContact CG-CZ 3.96Å; Q157-F294 VanDerWaalsContact OE1-CB 3.24Å; Q157-L364 WeakPolarHBondContact O-CD2 3.39Å; Q157-L387 CarbonylContact C-O 3.6Å; Q157-L387 VanDerWaalsContact CA-O 3.3Å; Q157-L387 WeakPolarHBondContact CA-O 3.34Å; Q157-Y388 HydrophobicContact CB-CD1 3.81Å; Q157-Y388 HydrophobicContact CB-CE1 3.48Å; Q157-Y388 VanDerWaalsContact CB-CE1 3.48Å; Q157-Y388 PolarHBondContact OE1-OH 3.06Å |
| 158 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129 | 169.8 | 169.8 | 64.7 | 0 | 0 | 0 | 109 | L147 A148 A149 L364 V367 A368 E371 L383 W386 L387 | L147-L158 HydrophobicContact CD2-CD1 4.33Å; A148-L158 CarbonylContact O-C 3.53Å; A148-L158 WeakPolarHBondContact O-CA 3.36Å; A149-L158 HydrophobicContact CB-CD1 3.84Å; L158-L364 HydrophobicContact CB-CD1 4.03Å; L158-V367 HydrophobicContact CD2-CB 4.45Å; L158-V367 HydrophobicContact CD2-CG1 3.76Å; L158-A368 HydrophobicContact CD1-CB 3.9Å; L158-A368 HydrophobicContact CD2-CB 4.25Å; L158-E371 HydrophobicContact CD2-CG 3.98Å; L158-L383 HydrophobicContact CD2-CD2 4.04Å; L158-L383 HydrophobicContact CG-CD2 3.97Å; L158-W386 CarbonylContact O-C 3.51Å; L158-W386 WeakPolarHBondContact O-CA 3.5Å; L158-L387 HydrophobicContact CB-CB 4.32Å; L158-L387 PolarHBondContact N-O 3.09Å; L158-L387 PolarHBondContact O-N 3.4Å |
| 159 | F | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.7 | 172.9 | 176 | -110.1 | 0 | 0 | 0 | 110.2 | F146 L147 A148 D161 L267 A270 Q385 W386 | F146-F159 HydrophobicContact CD1-CD1 4.14Å; F146-F159 HydrophobicContact CD1-CE1 4.07Å; F146-F159 HydrophobicContact CE1-CD1 4.07Å; F146-F159 HydrophobicContact CE1-CE1 4.25Å; L147-F159 VanDerWaalsContact CA-O 3.28Å; L147-F159 WeakPolarHBondContact CA-O 3.31Å; A148-F159 HydrophobicContact CB-CB 4.38Å; A148-F159 PolarHBondContact N-O 3.07Å; A148-F159 VanDerWaalsContact N-O 3.13Å; A148-F159 PolarHBondContact O-N 3.2Å; F159-D161 HydrophobicContact CE1-CB 3.62Å; F159-D161 HydrophobicContact CZ-CB 3.83Å; F159-L267 HydrophobicContact CD1-CB 4.43Å; F159-L267 HydrophobicContact CD1-CD1 3.69Å; F159-L267 HydrophobicContact CD2-CD1 4.42Å; F159-L267 HydrophobicContact CE1-CB 3.74Å; F159-L267 HydrophobicContact CE1-CD1 3.75Å; F159-L267 HydrophobicContact CE1-CG 4.31Å; F159-L267 HydrophobicContact CE2-CD1 4.49Å; F159-L267 HydrophobicContact CG-CD1 4.02Å; F159-L267 HydrophobicContact CZ-CB 4.16Å; F159-L267 HydrophobicContact CZ-CD1 4.16Å; F159-A270 HydrophobicContact CD2-CB 4.5Å; F159-A270 HydrophobicContact CE2-CB 3.51Å; F159-A270 HydrophobicContact CZ-CB 3.92Å; F159-Q385 WeakPolarHBondContact CA-O 3.12Å; F159-Q385 HydrophobicContact CD2-CB 4.2Å; F159-Q385 HydrophobicContact CE2-CB 3.93Å; F159-W386 HydrophobicContact CB-CD2 4.04Å; F159-W386 HydrophobicContact CB-CE3 3.72Å; F159-W386 HydrophobicContact CB-CH2 3.75Å; F159-W386 HydrophobicContact CB-CZ2 4.07Å; F159-W386 HydrophobicContact CB-CZ3 3.58Å; F159-W386 AromaticContact CD2-CD2 3.72Å; F159-W386 HydrophobicContact CD2-CD2 3.72Å; F159-W386 AromaticContact CD2-CE2 3.35Å; F159-W386 HydrophobicContact CD2-CE3 4.28Å; F159-W386 HydrophobicContact CD2-CG 4.13Å; F159-W386 HydrophobicContact CD2-CH2 4.21Å; F159-W386 AromaticContact CD2-CZ2 3.63Å; F159-W386 HydrophobicContact CD2-CZ2 3.63Å; F159-W386 AromaticContact CD2-NE1 3.58Å; F159-W386 HydrophobicContact CE2-CZ2 4.27Å; F159-W386 AromaticContact CE2-NE1 3.87Å; F159-W386 HydrophobicContact CG-CD2 4.29Å; F159-W386 HydrophobicContact CG-CE3 4.42Å; F159-W386 HydrophobicContact CG-CH2 4.06Å; F159-W386 AromaticContact CG-CZ2 3.91Å; F159-W386 HydrophobicContact CG-CZ2 3.91Å; F159-W386 HydrophobicContact CG-CZ3 4.33Å |
| 160 | C | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.2 | 176.1 | -68 | 0 | 0 | 0 | 0 | 111.4 | F162 H264 L383 Q385 | C160-F162 HydrophobicContact CB-CD1 4.25Å; C160-F162 HydrophobicContact CB-CE1 3.85Å; C160-H264 PolarHBondContact O-ND1 3.33Å; C160-L383 HydrophobicContact CB-CB 4.29Å; C160-Q385 PolarHBondContact N-O 3.37Å |
| 161 | D | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 106.8 | 173.3 | 177.8 | 6 | 0 | 0 | 0 | 109.9 | H140 C145 F146 F159 G163 | H140-D161 WeakPolarHBondContact CB-OD2 3.41Å; H140-D161 IonicContact CE1-OD1 2.77Å; H140-D161 IonicContact CE1-OD2 3.02Å; H140-D161 IonicContact CG-OD2 3.03Å; H140-D161 IonicContact ND1-OD1 3.14Å; H140-D161 PolarHBondContact ND1-OD1 2.92Å; H140-D161 IonicContact ND1-OD2 2.86Å; H140-D161 PolarHBondContact ND1-OD2 3.49Å; C145-D161 CarbonylContact C-O 3.6Å; C145-D161 WeakPolarHBondContact CA-O 3.26Å; F146-D161 HydrophobicContact CB-CB 4.35Å; F146-D161 HydrophobicContact CD1-CB 4.44Å; F146-D161 PolarHBondContact N-O 3.41Å; F146-D161 PolarHBondContact O-N 3.4Å; F159-D161 HydrophobicContact CE1-CB 3.62Å; F159-D161 HydrophobicContact CZ-CB 3.83Å; D161-G163 PolarHBondContact OD1-N 3.06Å |
| 162 | F | 98.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | trans | -101.2 | 9.1 | -177.5 | -73.2 | 24.3 | 0 | 0 | 0 | 111.3 | C145 L147 C160 F166 H264 E371 K374 A375 P382 | C145-F162 HydrophobicContact CB-CD1 4.31Å; L147-F162 HydrophobicContact CD1-CE1 4.07Å; C160-F162 HydrophobicContact CB-CD1 4.25Å; C160-F162 HydrophobicContact CB-CE1 3.85Å; F162-F166 HydrophobicContact CB-CB 3.97Å; F162-F166 HydrophobicContact CB-CD1 4.49Å; F162-F166 HydrophobicContact CB-CD2 3.8Å; F162-F166 HydrophobicContact CB-CE2 4.4Å; F162-F166 HydrophobicContact CB-CG 3.85Å; F162-F166 AromaticContact CD2-CD1 3.91Å; F162-F166 HydrophobicContact CD2-CD1 3.91Å; F162-F166 AromaticContact CD2-CD2 3.91Å; F162-F166 HydrophobicContact CD2-CD2 3.91Å; F162-F166 AromaticContact CD2-CE1 3.75Å; F162-F166 HydrophobicContact CD2-CE1 3.75Å; F162-F166 AromaticContact CD2-CE2 3.75Å; F162-F166 HydrophobicContact CD2-CE2 3.75Å; F162-F166 AromaticContact CD2-CG 3.99Å; F162-F166 HydrophobicContact CD2-CG 3.99Å; F162-F166 AromaticContact CD2-CZ 3.65Å; F162-F166 HydrophobicContact CD2-CZ 3.65Å; F162-F166 HydrophobicContact CE2-CE1 4.26Å; F162-F166 HydrophobicContact CE2-CE2 4.45Å; F162-F166 HydrophobicContact CE2-CZ 4.06Å; F162-F166 HydrophobicContact CG-CD2 4.27Å; F162-F166 HydrophobicContact CG-CE2 4.4Å; F162-F166 HydrophobicContact CG-CG 4.45Å; F162-H264 PolarHBondContact N-ND1 3.28Å; F162-H264 VanDerWaalsContact N-ND1 3.16Å; F162-E371 WeakPolarHBondContact CZ-O 3.19Å; F162-K374 HydrophobicContact CE2-CB 4.36Å; F162-A375 HydrophobicContact CD2-CB 4.28Å; F162-A375 HydrophobicContact CE1-CB 4.12Å; F162-A375 HydrophobicContact CE2-CB 3.68Å; F162-A375 HydrophobicContact CZ-CB 3.64Å; F162-P382 HydrophobicContact CD2-CB 3.65Å; F162-P382 HydrophobicContact CD2-CG 4.01Å; F162-P382 HydrophobicContact CE2-CB 3.3Å; F162-P382 HydrophobicContact CE2-CG 4.1Å; F162-P382 HydrophobicContact CG-CB 4.43Å; F162-P382 HydrophobicContact CZ-CB 3.78Å | ||
| 163 | G | 96.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | trans | 84.5 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D161 H264 | D161-G163 PolarHBondContact OD1-N 3.06Å; G163-H264 PolarHBondContact O-N 3.16Å | ||
| 164 | E | 94.3 | Very high | 93.3 | Very high | 139 Ų | 139 | 30.5 Ų | 30.5 | 65% | 0.65 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -78.4 | -17.1 | -174.5 | -60.1 | -170.4 | 154.7 | 0 | 0 | 114.6 | R263 | E164-R263 WeakPolarHBondContact O-CB 3.5Å; E164-R263 WeakPolarHBondContact O-CD 3.49Å; E164-R263 WeakPolarHBondContact O-CG 3.3Å |
| 165 | D | 94.3 | Very high | 92.2 | Very high | 124 Ų | 124 | 36 Ų | 36 | 66% | 0.663 | 19% | 0.194 | S | C | * | . | trans | -142.7 | 76.3 | -176.8 | -167.6 | 11 | 0 | 0 | 0 | 111.4 | T261 | D165-T261 WeakPolarHBondContact OD1-CG2 3.48Š| ||
| 166 | F | 96.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.8 | 177.4 | -173.4 | -84.7 | 0 | 0 | 0 | 111.2 | F162 V168 T261 V262 A375 | F162-F166 HydrophobicContact CB-CB 3.97Å; F162-F166 HydrophobicContact CB-CD1 4.49Å; F162-F166 HydrophobicContact CB-CD2 3.8Å; F162-F166 HydrophobicContact CB-CE2 4.4Å; F162-F166 HydrophobicContact CB-CG 3.85Å; F162-F166 AromaticContact CD2-CD1 3.91Å; F162-F166 HydrophobicContact CD2-CD1 3.91Å; F162-F166 AromaticContact CD2-CD2 3.91Å; F162-F166 HydrophobicContact CD2-CD2 3.91Å; F162-F166 AromaticContact CD2-CE1 3.75Å; F162-F166 HydrophobicContact CD2-CE1 3.75Å; F162-F166 AromaticContact CD2-CE2 3.75Å; F162-F166 HydrophobicContact CD2-CE2 3.75Å; F162-F166 AromaticContact CD2-CG 3.99Å; F162-F166 HydrophobicContact CD2-CG 3.99Å; F162-F166 AromaticContact CD2-CZ 3.65Å; F162-F166 HydrophobicContact CD2-CZ 3.65Å; F162-F166 HydrophobicContact CE2-CE1 4.26Å; F162-F166 HydrophobicContact CE2-CE2 4.45Å; F162-F166 HydrophobicContact CE2-CZ 4.06Å; F162-F166 HydrophobicContact CG-CD2 4.27Å; F162-F166 HydrophobicContact CG-CE2 4.4Å; F162-F166 HydrophobicContact CG-CG 4.45Å; F166-V168 HydrophobicContact CD1-CG2 4.01Å; F166-V168 HydrophobicContact CE1-CG2 3.97Å; F166-T261 CarbonylContact O-C 3.55Å; F166-T261 WeakPolarHBondContact O-CA 3.43Å; F166-V262 HydrophobicContact CB-CG2 3.9Å; F166-V262 HydrophobicContact CD1-CG2 4Å; F166-V262 HydrophobicContact CG-CG2 4.38Å; F166-V262 PolarHBondContact N-O 2.96Å; F166-V262 VanDerWaalsContact N-O 3.08Å; F166-V262 PolarHBondContact O-N 3.36Å; F166-A375 WeakPolarHBondContact CE2-O 3.41Å; F166-A375 WeakPolarHBondContact CZ-O 3Å |
| 167 | T | 96.3 | Very high | 90.4 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 117.8 | 174.4 | -49.3 | 0 | 0 | 0 | 0 | 111.9 | P259 T261 R378 | T167-P259 HydrophobicContact CG2-CB 3.84Å; T167-T261 PolarHBondContact OG1-OG1 2.73Å; T167-R378 WeakPolarHBondContact O-CD 3.39Å; T167-R378 PolarHBondContact O-NH1 3.39Å |
| 168 | V | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.7 | 166.3 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | F166 P171 P259 K260 V262 F380 M381 P382 | F166-V168 HydrophobicContact CD1-CG2 4.01Å; F166-V168 HydrophobicContact CE1-CG2 3.97Å; V168-P171 HydrophobicContact CG1-CB 4.09Å; V168-P259 CarbonylContact O-C 3.52Å; V168-P259 WeakPolarHBondContact O-CA 3.44Å; V168-P259 WeakPolarHBondContact O-CB 3.35Å; V168-K260 WeakPolarHBondContact CB-O 3.26Å; V168-K260 PolarHBondContact N-O 3.06Å; V168-K260 PolarHBondContact O-N 3.35Å; V168-V262 HydrophobicContact CG2-CG1 4.41Å; V168-F380 WeakPolarHBondContact CG1-O 3.33Å; V168-M381 HydrophobicContact CG2-SD 4.3Å; V168-P382 HydrophobicContact CG2-CG 4.36Å |
| 169 | Q | 90.5 | Very high | 88.7 | Confident | 95 Ų | 95 | 46.4 Ų | 46.4 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -79.4 | -40.9 | -178.9 | -68.6 | -177.2 | -10.8 | 0 | 0 | 112.2 | R378 | Q169-R378 HydrophobicContact CB-CB 4.23Å; Q169-R378 HydrophobicContact CG-CB 3.87Å; Q169-R378 PolarHBondContact N-O 3.1Å |
| 170 | D | 89.1 | Confident | 87.8 | Confident | 37 Ų | 37 | 48 Ų | 48 | 20% | 0.198 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -130.7 | 94.1 | -179.8 | -179.8 | 0.4 | 0 | 0 | 0 | 109.2 | T172 K257 R378 K379 F380 | D170-T172 VanDerWaalsContact C-N 3.35Å; D170-T172 PolarHBondContact O-N 3.18Å; D170-T172 PolarHBondContact OD1-N 3.29Å; D170-K257 VanDerWaalsContact CG-NZ 3.27Å; D170-K257 WeakPolarHBondContact OD1-CD 3.23Å; D170-K257 WeakPolarHBondContact OD1-CE 3.3Å; D170-K257 IonicContact OD1-NZ 2.66Å; D170-K257 PolarHBondContact OD1-NZ 3.42Å; D170-K257 IonicContact OD2-NZ 3.47Å; D170-K257 PolarHBondContact OD2-NZ 3.17Å; D170-K257 VanDerWaalsContact OD2-NZ 3.17Å; D170-R378 PolarHBondContact N-O 3.42Å; D170-K379 HydrophobicContact CB-CG 4.14Å; D170-K379 CarbonylContact O-C 3.53Å; D170-K379 WeakPolarHBondContact O-CA 3.37Å; D170-K379 VanDerWaalsContact OD2-CE 3.28Å; D170-K379 WeakPolarHBondContact OD2-CE 3.42Å; D170-K379 IonicContact OD2-NZ 2.75Å; D170-F380 WeakPolarHBondContact O-CA 3.42Å; D170-F380 PolarHBondContact O-N 2.73Å |
| 171 | P | 86.9 | Confident | 87.1 | Confident | 20 Ų | 20 | 48 Ų | 48 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | trans | -76.3 | -15.7 | -170.8 | 28.5 | -34 | 0 | 0 | 0 | 114.8 | V168 M381 | V168-P171 HydrophobicContact CG1-CB 4.09Å; P171-M381 HydrophobicContact CB-CG 3.86Å; P171-M381 HydrophobicContact CB-SD 3.74Å; P171-M381 PolarHBondContact O-N 2.92Å | ||
| 172 | T | 82.1 | Confident | 86.4 | Confident | 53 Ų | 53 | 53 Ų | 53 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | trans | -127.8 | 152.9 | -172.1 | 66 | 0 | 0 | 0 | 0 | 111.9 | D170 A174 K257 | D170-T172 VanDerWaalsContact C-N 3.35Å; D170-T172 PolarHBondContact O-N 3.18Å; D170-T172 PolarHBondContact OD1-N 3.29Å; T172-A174 VanDerWaalsContact C-N 3.31Å; T172-K257 PolarHBondContact O-NZ 3.17Å | ||
| 173 | E | 78.9 | Confident | 85.9 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -79.8 | -14.5 | 173.1 | -165.6 | 177.2 | -157.9 | 0 | 0 | 113 | E175 F380 T567 H887 A889 | E173-E175 PolarHBondContact O-N 3.14Å; E173-F380 HydrophobicContact CB-CD1 4.4Å; E173-F380 HydrophobicContact CB-CE1 3.77Å; E173-F380 HydrophobicContact CG-CE1 4.03Å; E173-F380 HydrophobicContact CG-CZ 4.33Å; E173-T567 PolarHBondContact OE1-N 3.05Å; E173-T567 PolarHBondContact OE1-OG1 3.11Å; E173-T567 PolarHBondContact OE2-OG1 3.27Å; E173-H887 IonicContact OE2-CD2 2.59Å; E173-H887 IonicContact OE2-CE1 2.71Å; E173-H887 IonicContact OE2-NE2 2.67Å; E173-H887 PolarHBondContact OE2-NE2 2.97Å; E173-A889 HydrophobicContact CB-CB 3.94Å |
| 174 | A | 74.3 | Confident | 85.7 | Confident | 56 Ų | 56 | 57 Ų | 57 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -57.6 | 132.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T172 K257 | T172-A174 VanDerWaalsContact C-N 3.31Å; A174-K257 WeakPolarHBondContact O-CE 3.41Å; A174-K257 PolarHBondContact O-NZ 2.91Å |
| 175 | E | 74.6 | Confident | 85.8 | Confident | 117 Ų | 117 | 51.9 Ų | 51.9 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 141.7 | 172 | -69.5 | -175.9 | -173.8 | 0 | 0 | 109.5 | E173 L177 R844 | E173-E175 PolarHBondContact O-N 3.14Å; E175-L177 PolarHBondContact O-N 3.44Å; E175-R844 IonicContact OE1-CZ 3.73Å; E175-R844 VanDerWaalsContact OE1-CZ 3.31Å; E175-R844 IonicContact OE1-NH1 3.97Å; E175-R844 PolarHBondContact OE1-NH1 2.89Å; E175-R844 IonicContact OE1-NH2 3.88Å; E175-R844 PolarHBondContact OE1-NH2 3.18Å |
| 176 | P | 78.3 | Confident | 85.8 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -56 | 133.2 | 175.6 | -18.2 | 28.5 | 0 | 0 | 0 | 110.2 | T178 T254 E255 K257 | P176-T178 PolarHBondContact O-N 2.76Å; P176-T254 HydrophobicContact CB-CG2 4.34Å; P176-E255 HydrophobicContact CB-CB 4.15Å; P176-E255 VanDerWaalsContact CB-O 3.25Å; P176-E255 WeakPolarHBondContact CB-O 3.43Å; P176-K257 HydrophobicContact CG-CG 4.48Å |
| 177 | L | 81.2 | Confident | 85.5 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 128.8 | -178.3 | -65.5 | 166.5 | 0 | 0 | 0 | 110.7 | E175 Y202 F203 T254 E255 | E175-L177 PolarHBondContact O-N 3.44Å; L177-Y202 WeakPolarHBondContact CD1-O 3.21Å; L177-Y202 HydrophobicContact CD2-CD1 3.95Å; L177-Y202 HydrophobicContact CD2-CG 4.05Å; L177-F203 HydrophobicContact CB-CD1 4.35Å; L177-F203 HydrophobicContact CB-CE1 3.8Å; L177-F203 HydrophobicContact CB-CZ 4.02Å; L177-T254 CarbonylContact O-C 3.35Å; L177-T254 WeakPolarHBondContact O-CA 3.32Å; L177-E255 HydrophobicContact CB-CB 4.15Å; L177-E255 WeakPolarHBondContact CG-OE2 3.41Å; L177-E255 PolarHBondContact N-OE2 3.46Å; L177-E255 PolarHBondContact O-N 3.29Å |
| 178 | T | 79.4 | Confident | 85.3 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.7 | 174.9 | -59 | 0 | 0 | 0 | 0 | 110.3 | P176 A252 I253 T254 | P176-T178 PolarHBondContact O-N 2.76Å; T178-A252 HydrophobicContact CG2-CB 4.11Å; T178-I253 CarbonylContact C-O 3.43Å; T178-I253 VanDerWaalsContact CA-O 3.3Å; T178-I253 WeakPolarHBondContact CA-O 3.4Å; T178-T254 WeakPolarHBondContact OG1-CG2 3.37Å; T178-T254 PolarHBondContact OG1-OG1 2.7Å |
| 179 | A | 80.1 | Confident | 85.2 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L194 F203 A252 I253 | A179-L194 HydrophobicContact CB-CD1 4.36Å; A179-L194 HydrophobicContact CB-CD2 3.89Å; A179-F203 HydrophobicContact CB-CE2 3.76Å; A179-F203 HydrophobicContact CB-CZ 4.3Å; A179-A252 CarbonylContact O-C 3.59Å; A179-A252 VanDerWaalsContact O-CA 3.29Å; A179-A252 WeakPolarHBondContact O-CA 3.42Å; A179-I253 HydrophobicContact CB-CG2 3.9Å; A179-I253 PolarHBondContact N-O 2.94Å; A179-I253 WeakPolarHBondContact O-CG2 3.46Å; A179-I253 PolarHBondContact O-N 3.45Å |
| 180 | A | 79.7 | Confident | 85.4 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 28% | 0.281 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 139.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R195 | A180-R195 HydrophobicContact CB-CB 4.17Å; A180-R195 WeakPolarHBondContact O-CB 3.35Å; A180-R195 PolarHBondContact O-N 2.84Å |
| 181 | I | 84.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 132.8 | -179.2 | -59.4 | 172.5 | 0 | 0 | 0 | 109.5 | I184 L192 F211 I214 Y247 G251 I253 | I181-I184 HydrophobicContact CD1-CD1 4.2Å; I181-I184 HydrophobicContact CG2-CD1 4.06Å; I181-I184 HydrophobicContact CG2-CG1 3.65Å; I181-L192 HydrophobicContact CD1-CD1 3.98Å; I181-L192 HydrophobicContact CG1-CD1 4.13Å; I181-L192 HydrophobicContact CG1-CD2 4.4Å; I181-L192 HydrophobicContact CG1-CG 4.49Å; I181-L192 HydrophobicContact CG2-CD1 4.46Å; I181-L192 HydrophobicContact CG2-CG 4.18Å; I181-F211 HydrophobicContact CD1-CD1 3.93Å; I181-I214 HydrophobicContact CD1-CD1 3.87Å; I181-I214 HydrophobicContact CD1-CG1 3.9Å; I181-Y247 HydrophobicContact CG2-CE2 4.1Å; I181-G251 PolarHBondContact N-O 2.92Å; I181-I253 HydrophobicContact CG1-CB 4.46Å |
| 182 | Q | 84.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 49.6 Ų | 49.6 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -49.7 | 170.8 | -176.4 | 174.7 | 2.9 | 0 | 0 | 110.9 | T193 L194 R195 Y247 | Q182-T193 WeakPolarHBondContact CA-O 3.43Å; Q182-T193 HydrophobicContact CB-CG2 4.47Å; Q182-T193 VanDerWaalsContact CB-O 3.3Å; Q182-T193 WeakPolarHBondContact CB-O 3.48Å; Q182-T193 PolarHBondContact N-O 2.95Å; Q182-L194 PolarHBondContact OE1-O 3.21Å; Q182-R195 HydrophobicContact CB-CB 4.31Å; Q182-Y247 PolarHBondContact O-OH 3.37Å |
| 183 | H | 87.9 | Confident | 86.2 | Confident | 92 Ų | 92 | 49.5 Ų | 49.5 | 43% | 0.426 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 151.1 | -175.8 | -178.2 | -92.5 | 0 | 0 | 0 | 111.5 | L192 T193 Y247 | H183-L192 WeakPolarHBondContact O-CA 3.5Å; H183-T193 PolarHBondContact N-O 3.33Å; H183-T193 PolarHBondContact O-N 3.31Å; H183-Y247 HydrophobicContact CB-CE1 4.47Å; H183-Y247 AromaticContact CD2-CD1 3.99Å |
| 184 | I | 92.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.8 | 170.6 | -46.3 | 178.3 | 0 | 0 | 0 | 108.8 | I181 I191 L192 I214 M217 L220 I238 Y247 | I181-I184 HydrophobicContact CD1-CD1 4.2Å; I181-I184 HydrophobicContact CG2-CD1 4.06Å; I181-I184 HydrophobicContact CG2-CG1 3.65Å; I184-I191 WeakPolarHBondContact CA-O 3.27Å; I184-L192 HydrophobicContact CD1-CD1 4.36Å; I184-L192 HydrophobicContact CG1-CD1 4.32Å; I184-L192 HydrophobicContact CG1-CG 4.22Å; I184-I214 HydrophobicContact CD1-CD1 3.66Å; I184-I214 HydrophobicContact CD1-CG1 4.29Å; I184-I214 HydrophobicContact CD1-CG2 4.37Å; I184-M217 HydrophobicContact CB-CE 4.39Å; I184-M217 HydrophobicContact CB-SD 4.13Å; I184-M217 HydrophobicContact CD1-SD 4.41Å; I184-M217 HydrophobicContact CG2-CE 4.08Å; I184-M217 HydrophobicContact CG2-SD 3.59Å; I184-M217 VanDerWaalsContact CG2-SD 3.59Å; I184-L220 HydrophobicContact CD1-CD1 3.66Å; I184-L220 HydrophobicContact CG2-CD1 4.22Å; I184-I238 HydrophobicContact CG2-CD1 3.81Å; I184-Y247 HydrophobicContact CB-CD2 4.08Å; I184-Y247 HydrophobicContact CB-CG 4.1Å; I184-Y247 HydrophobicContact CD1-CD2 3.83Å; I184-Y247 HydrophobicContact CD1-CE2 4.2Å; I184-Y247 HydrophobicContact CG1-CD2 3.75Å; I184-Y247 HydrophobicContact CG1-CE2 4.08Å; I184-Y247 HydrophobicContact CG1-CG 4.24Å; I184-Y247 WeakPolarHBondContact O-CB 3.42Å |
| 185 | S | 94.4 | Very high | 86.6 | Confident | 33 Ų | 33 | 51 Ų | 51 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | trans | -80.3 | 150.1 | 174.5 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | I191 T241 | S185-I191 PolarHBondContact N-O 2.93Å; S185-I191 WeakPolarHBondContact OG-CB 3.44Å; S185-I191 PolarHBondContact OG-N 2.95Å; S185-T241 PolarHBondContact O-OG1 2.88Å | ||
| 186 | Q | 94.2 | Very high | 86.1 | Confident | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -86.4 | 110.6 | 164.8 | -71.3 | 174 | -66 | 0 | 0 | 108.3 | M217 F244 | Q186-M217 HydrophobicContact CG-CE 3.73Å; Q186-F244 PolarHBondContact NE2-O 3.06Å |
| 187 | G | 92.3 | Very high | 85 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -173.6 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P189 G190 T241 | G187-P189 CarbonylContact C-O 3.21Å; G187-P189 CarbonylContact O-C 3.36Å; G187-G190 PolarHBondContact O-N 2.84Å; G187-T241 PolarHBondContact N-OG1 2.93Å; G187-T241 PolarHBondContact O-N 3.35Å; G187-T241 PolarHBondContact O-OG1 2.79Å |
| 188 | S | 92.1 | Very high | 83 | Confident | 85 Ų | 85 | 55.2 Ų | 55.2 | 59% | 0.594 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -131.5 | 95.7 | 173.7 | -166.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 189 | P | 92.4 | Very high | 81.4 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | S | Bend | cis | -75.7 | 151.6 | 0.8 | 31.8 | -33.6 | 0 | 0 | 0 | 113.3 | G187 I191 E237 | G187-P189 CarbonylContact C-O 3.21Å; G187-P189 CarbonylContact O-C 3.36Å; P189-I191 HydrophobicContact CG-CD1 4.2Å; P189-E237 HydrophobicContact CB-CB 3.96Å; P189-E237 HydrophobicContact CB-CG 4.49Å; P189-E237 HydrophobicContact CG-CB 4.19Å; P189-E237 HydrophobicContact CG-CG 4.19Å |
| 190 | G | 94.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -69.9 | 135.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G187 E237 I238 G239 T241 | G187-G190 PolarHBondContact O-N 2.84Å; G190-E237 WeakPolarHBondContact O-CA 3.47Å; G190-I238 PolarHBondContact O-N 3.3Å; G190-G239 PolarHBondContact N-O 2.91Å; G190-T241 VanDerWaalsContact CA-OG1 3.28Å; G190-T241 WeakPolarHBondContact CA-OG1 3.44Å | ||
| 191 | I | 94.5 | Very high | 78.6 | Confident | 34 Ų | 34 | 65 Ų | 65 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.8 | -176.7 | -52.6 | -58.9 | 0 | 0 | 0 | 108.6 | I184 S185 P189 E237 | I184-I191 WeakPolarHBondContact CA-O 3.27Å; S185-I191 PolarHBondContact N-O 2.93Å; S185-I191 WeakPolarHBondContact OG-CB 3.44Å; S185-I191 PolarHBondContact OG-N 2.95Å; P189-I191 HydrophobicContact CG-CD1 4.2Å; I191-E237 HydrophobicContact CD1-CB 4.47Å; I191-E237 HydrophobicContact CD1-CG 3.8Å |
| 192 | L | 92.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.7 | 176.2 | -174.6 | 159.3 | 0 | 0 | 0 | 109.8 | I181 H183 I184 L194 F211 S235 L236 I238 I253 | I181-L192 HydrophobicContact CD1-CD1 3.98Å; I181-L192 HydrophobicContact CG1-CD1 4.13Å; I181-L192 HydrophobicContact CG1-CD2 4.4Å; I181-L192 HydrophobicContact CG1-CG 4.49Å; I181-L192 HydrophobicContact CG2-CD1 4.46Å; I181-L192 HydrophobicContact CG2-CG 4.18Å; H183-L192 WeakPolarHBondContact O-CA 3.5Å; I184-L192 HydrophobicContact CD1-CD1 4.36Å; I184-L192 HydrophobicContact CG1-CD1 4.32Å; I184-L192 HydrophobicContact CG1-CG 4.22Å; L192-L194 HydrophobicContact CD2-CD2 3.42Å; L192-L194 VanDerWaalsContact CD2-CD2 3.42Å; L192-L194 HydrophobicContact CD2-CG 4.08Å; L192-F211 HydrophobicContact CD1-CD1 4.01Å; L192-F211 HydrophobicContact CD1-CE1 3.37Å; L192-F211 HydrophobicContact CD1-CZ 4.3Å; L192-S235 WeakPolarHBondContact O-CB 3.33Å; L192-L236 HydrophobicContact CB-CB 4.37Å; L192-L236 HydrophobicContact CD2-CD1 4.31Å; L192-L236 PolarHBondContact N-O 3.3Å; L192-L236 PolarHBondContact O-N 3.18Å; L192-I238 HydrophobicContact CB-CD1 4.39Å; L192-I238 HydrophobicContact CB-CG2 4Å; L192-I238 HydrophobicContact CD1-CD1 4.35Å; L192-I238 HydrophobicContact CD1-CG2 4.21Å; L192-I253 HydrophobicContact CD1-CD1 4.2Å |
| 193 | T | 88.9 | Confident | 77.8 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.6 | 174 | -48.9 | 0 | 0 | 0 | 0 | 109.2 | Q182 H183 | Q182-T193 WeakPolarHBondContact CA-O 3.43Å; Q182-T193 HydrophobicContact CB-CG2 4.47Å; Q182-T193 VanDerWaalsContact CB-O 3.3Å; Q182-T193 WeakPolarHBondContact CB-O 3.48Å; Q182-T193 PolarHBondContact N-O 2.95Å; H183-T193 PolarHBondContact N-O 3.33Å; H183-T193 PolarHBondContact O-N 3.31Å |
| 194 | L | 85.5 | Confident | 77.7 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 145.3 | 176.2 | -59.5 | 177.2 | 0 | 0 | 0 | 110.9 | A179 Q182 L192 K196 F203 L236 I253 | A179-L194 HydrophobicContact CB-CD1 4.36Å; A179-L194 HydrophobicContact CB-CD2 3.89Å; Q182-L194 PolarHBondContact OE1-O 3.21Å; L192-L194 HydrophobicContact CD2-CD2 3.42Å; L192-L194 VanDerWaalsContact CD2-CD2 3.42Å; L192-L194 HydrophobicContact CD2-CG 4.08Å; L194-K196 PolarHBondContact O-N 2.93Å; L194-F203 HydrophobicContact CD1-CD2 3.98Å; L194-F203 HydrophobicContact CD1-CE2 4.14Å; L194-L236 HydrophobicContact CD1-CD1 4.15Å; L194-L236 HydrophobicContact CD1-CG 4.47Å; L194-L236 HydrophobicContact CD2-CD1 4.15Å; L194-L236 HydrophobicContact CG-CD1 4.29Å; L194-I253 HydrophobicContact CD2-CG2 3.55Å |
| 195 | R | 75.3 | Confident | 77.5 | Confident | 96 Ų | 96 | 76 Ų | 76 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 126.1 | 174.2 | -171.4 | -178.7 | -86.4 | 179 | -4.9 | 109.1 | A180 Q182 G197 | A180-R195 HydrophobicContact CB-CB 4.17Å; A180-R195 WeakPolarHBondContact O-CB 3.35Å; A180-R195 PolarHBondContact O-N 2.84Å; Q182-R195 HydrophobicContact CB-CB 4.31Å; R195-G197 PolarHBondContact O-N 3.19Å |
| 196 | K | 63.6 | Low | 77.1 | Confident | 164 Ų | 164 | 75.6 Ų | 75.6 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 120.1 | 179.8 | -69.4 | -172 | 177.4 | -174.7 | 0 | 111.7 | L194 | L194-K196 PolarHBondContact O-N 2.93Š|
| 197 | G | 55.6 | Low | 76.8 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | trans | -141.2 | 168.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | R195 N199 | R195-G197 PolarHBondContact O-N 3.19Å; G197-N199 PolarHBondContact O-N 3.04Å; G197-N199 VanDerWaalsContact O-N 3.1Å | ||
| 198 | A | 38.4 | Very low | 76.7 | Confident | 101 Ų | 101 | 73.3 Ų | 73.3 | 84% | 0.835 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -54.9 | 119.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 199 | N | 46.3 | Very low | 76.7 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | trans | 83 | 84.1 | -175.9 | -56.2 | -9.6 | 0 | 0 | 0 | 116.2 | G197 H201 Y202 | G197-N199 PolarHBondContact O-N 3.04Å; G197-N199 VanDerWaalsContact O-N 3.1Å; N199-H201 VanDerWaalsContact C-N 3.35Å; N199-H201 PolarHBondContact O-N 3.37Å; N199-Y202 HydrophobicContact CB-CD2 4.4Å; N199-Y202 HydrophobicContact CB-CE1 4.43Å; N199-Y202 HydrophobicContact CB-CE2 3.41Å; N199-Y202 VanDerWaalsContact CB-CE2 3.41Å; N199-Y202 VanDerWaalsContact CB-CZ 3.42Å; N199-Y202 WeakPolarHBondContact CB-OH 3.18Å; N199-Y202 PolarHBondContact ND2-OH 2.96Å; N199-Y202 WeakPolarHBondContact O-CD2 3.34Å; N199-Y202 WeakPolarHBondContact O-CE2 3.3Å | ||
| 200 | T | 44.5 | Very low | 76.7 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | trans | -87 | 17.6 | 177.6 | 45.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 201 | H | 56.8 | Low | 76.6 | Confident | 169 Ų | 169 | 68.2 Ų | 68.2 | 78% | 0.782 | 36% | 0.357 | S | S | * | . | trans | -120.9 | 36 | -168.8 | -63.1 | -62 | 0 | 0 | 0 | 115.3 | N199 | N199-H201 VanDerWaalsContact C-N 3.35Å; N199-H201 PolarHBondContact O-N 3.37Å | ||
| 202 | Y | 69 | Low | 76.3 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | trans | -89.4 | -43.2 | -171.4 | -70.5 | -64.6 | 0 | 0 | 0 | 115.1 | L177 N199 | L177-Y202 WeakPolarHBondContact CD1-O 3.21Å; L177-Y202 HydrophobicContact CD2-CD1 3.95Å; L177-Y202 HydrophobicContact CD2-CG 4.05Å; N199-Y202 HydrophobicContact CB-CD2 4.4Å; N199-Y202 HydrophobicContact CB-CE1 4.43Å; N199-Y202 HydrophobicContact CB-CE2 3.41Å; N199-Y202 VanDerWaalsContact CB-CE2 3.41Å; N199-Y202 VanDerWaalsContact CB-CZ 3.42Å; N199-Y202 WeakPolarHBondContact CB-OH 3.18Å; N199-Y202 PolarHBondContact ND2-OH 2.96Å; N199-Y202 WeakPolarHBondContact O-CD2 3.34Å; N199-Y202 WeakPolarHBondContact O-CE2 3.3Å | ||
| 203 | F | 82.8 | Confident | 75.7 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 8% | 0.083 | 39% | 0.393 | C | S | . | . | trans | -78.8 | 147 | -178.5 | -64.1 | -77.2 | 0 | 0 | 0 | 112.2 | L177 A179 L194 V209 I228 V230 L236 I253 E255 | L177-F203 HydrophobicContact CB-CD1 4.35Å; L177-F203 HydrophobicContact CB-CE1 3.8Å; L177-F203 HydrophobicContact CB-CZ 4.02Å; A179-F203 HydrophobicContact CB-CE2 3.76Å; A179-F203 HydrophobicContact CB-CZ 4.3Å; L194-F203 HydrophobicContact CD1-CD2 3.98Å; L194-F203 HydrophobicContact CD1-CE2 4.14Å; F203-V209 HydrophobicContact CD1-CG1 4.37Å; F203-V209 HydrophobicContact CE1-CG1 4.23Å; F203-I228 HydrophobicContact CB-CD1 3.79Å; F203-I228 HydrophobicContact CD1-CD1 4.15Å; F203-I228 HydrophobicContact CG-CD1 4.14Å; F203-V230 HydrophobicContact CB-CG2 4.48Å; F203-L236 HydrophobicContact CD2-CD1 4.18Å; F203-L236 HydrophobicContact CG-CD1 4.47Å; F203-I253 HydrophobicContact CE2-CG2 3.98Å; F203-I253 HydrophobicContact CZ-CG2 3.9Å; F203-E255 HydrophobicContact CE1-CB 4.12Å | ||
| 204 | R | 86.2 | Confident | 75.4 | Confident | 191 Ų | 191 | 69.4 Ų | 69.4 | 72% | 0.721 | 38% | 0.379 | S | S | * | . | trans | -114.5 | 157.2 | 177.9 | -61.1 | -178.7 | -179.4 | -176.6 | 1 | 110.9 | G206 D207 V230 | R204-G206 PolarHBondContact O-N 3.46Å; R204-D207 PolarHBondContact N-OD2 2.84Å; R204-D207 WeakPolarHBondContact O-CB 3.29Å; R204-D207 VanDerWaalsContact O-CG 3.24Å; R204-D207 PolarHBondContact O-N 3.36Å; R204-V230 VanDerWaalsContact C-CG2 3.5Å | ||
| 205 | D | 87.7 | Confident | 75.3 | Confident | 102 Ų | 102 | 73 Ų | 73 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 128.9 | 176.7 | -161.1 | 51.7 | 0 | 0 | 0 | 110.9 | H229 V230 | D205-H229 WeakPolarHBondContact OD1-CA 3.42Å; D205-H229 IonicContact OD1-CE1 3.47Å; D205-H229 IonicContact OD1-CG 4Å; D205-H229 IonicContact OD1-ND1 3.99Å; D205-H229 PolarHBondContact OD1-ND1 2.98Å; D205-H229 IonicContact OD2-ND1 3.82Å; D205-V230 PolarHBondContact OD1-N 2.8Å |
| 206 | G | 85.8 | Confident | 75.9 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 0.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R204 I228 R258 | R204-G206 PolarHBondContact O-N 3.46Å; G206-I228 PolarHBondContact N-O 3.33Å; G206-R258 PolarHBondContact O-NH2 3.14Å |
| 207 | D | 87.8 | Confident | 77.3 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | -59.3 | 144.8 | 172 | -72.1 | -10.6 | 0 | 0 | 0 | 110.4 | R204 S227 I228 | R204-D207 PolarHBondContact N-OD2 2.84Å; R204-D207 WeakPolarHBondContact O-CB 3.29Å; R204-D207 VanDerWaalsContact O-CG 3.24Å; R204-D207 PolarHBondContact O-N 3.36Å; D207-S227 WeakPolarHBondContact O-CA 3.45Å; D207-I228 HydrophobicContact CB-CD1 4.03Å; D207-I228 HydrophobicContact CB-CG1 4.17Å; D207-I228 PolarHBondContact O-N 3.19Å | ||
| 208 | L | 90.6 | Very high | 79 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 139.5 | 171.2 | -66.4 | 178.2 | 0 | 0 | 0 | 109.1 | P225 R226 E255 V256 R258 | L208-P225 HydrophobicContact CB-CB 4.06Å; L208-P225 HydrophobicContact CD1-CB 4.32Å; L208-R226 CarbonylContact C-O 2.96Å; L208-R226 WeakPolarHBondContact CA-O 3.33Å; L208-E255 CarbonylContact O-C 3.58Å; L208-E255 WeakPolarHBondContact O-CA 3.44Å; L208-V256 HydrophobicContact CB-CB 4.26Å; L208-V256 PolarHBondContact O-N 3.37Å; L208-R258 HydrophobicContact CD1-CG 3.66Å; L208-R258 HydrophobicContact CG-CG 4.26Å |
| 209 | V | 91.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.7 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | F203 F211 P225 R226 I228 I253 T254 | F203-V209 HydrophobicContact CD1-CG1 4.37Å; F203-V209 HydrophobicContact CE1-CG1 4.23Å; V209-F211 HydrophobicContact CG2-CE1 4.29Å; V209-F211 HydrophobicContact CG2-CE2 4.11Å; V209-F211 HydrophobicContact CG2-CZ 3.67Å; V209-P225 WeakPolarHBondContact O-CA 3.35Å; V209-R226 PolarHBondContact N-O 2.83Å; V209-R226 PolarHBondContact O-N 2.84Å; V209-I228 HydrophobicContact CB-CG2 4.28Å; V209-I228 HydrophobicContact CG1-CD1 4Å; V209-I228 HydrophobicContact CG1-CG2 3.89Å; V209-I228 HydrophobicContact CG2-CG2 3.39Å; V209-I253 HydrophobicContact CB-CD1 3.94Å; V209-I253 HydrophobicContact CB-CG1 3.69Å; V209-I253 HydrophobicContact CG1-CD1 3.89Å; V209-I253 HydrophobicContact CG1-CG1 3.93Å; V209-I253 HydrophobicContact CG2-CD1 3.78Å; V209-I253 HydrophobicContact CG2-CG1 3.94Å; V209-T254 CarbonylContact C-O 3.53Å; V209-T254 WeakPolarHBondContact CA-O 3.38Å |
| 210 | T | 93.4 | Very high | 83.9 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 169.4 | 164.9 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | C223 T254 V256 | T210-C223 PolarHBondContact OG1-O 3.2Å; T210-T254 PolarHBondContact N-O 2.87Å; T210-T254 PolarHBondContact O-N 3.27Å; T210-V256 HydrophobicContact CG2-CG2 3.89Å |
| 211 | F | 91.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.2 | -176.1 | -46.9 | -90.3 | 0 | 0 | 0 | 111.7 | I181 L192 V209 I214 L220 N221 D222 I238 A252 I253 | I181-F211 HydrophobicContact CD1-CD1 3.93Å; L192-F211 HydrophobicContact CD1-CD1 4.01Å; L192-F211 HydrophobicContact CD1-CE1 3.37Å; L192-F211 HydrophobicContact CD1-CZ 4.3Å; V209-F211 HydrophobicContact CG2-CE1 4.29Å; V209-F211 HydrophobicContact CG2-CE2 4.11Å; V209-F211 HydrophobicContact CG2-CZ 3.67Å; F211-I214 HydrophobicContact CB-CD1 3.53Å; F211-I214 HydrophobicContact CB-CG1 4.5Å; F211-I214 HydrophobicContact CD1-CD1 4.25Å; F211-I214 HydrophobicContact CG-CD1 4.04Å; F211-L220 HydrophobicContact CB-CB 4.24Å; F211-L220 WeakPolarHBondContact CB-O 3.38Å; F211-L220 HydrophobicContact CD2-CB 4.01Å; F211-L220 HydrophobicContact CD2-CD2 3.97Å; F211-L220 HydrophobicContact CD2-CG 4.47Å; F211-L220 HydrophobicContact CE2-CD2 3.94Å; F211-L220 HydrophobicContact CG-CB 4.21Å; F211-N221 CarbonylContact O-C 3.54Å; F211-N221 WeakPolarHBondContact O-CA 3.4Å; F211-D222 PolarHBondContact O-N 3.18Å; F211-I238 HydrophobicContact CE1-CG2 4.35Å; F211-I238 HydrophobicContact CZ-CB 4.15Å; F211-I238 HydrophobicContact CZ-CD1 4.14Å; F211-I238 HydrophobicContact CZ-CG2 3.85Å; F211-A252 VanDerWaalsContact CA-O 3.28Å; F211-A252 WeakPolarHBondContact CA-O 3.41Å; F211-I253 HydrophobicContact CD1-CB 3.97Å; F211-I253 HydrophobicContact CD1-CD1 4.45Å; F211-I253 HydrophobicContact CD1-CG1 3.99Å; F211-I253 HydrophobicContact CE1-CB 3.95Å; F211-I253 HydrophobicContact CE1-CD1 3.6Å; F211-I253 HydrophobicContact CE1-CG1 3.59Å; F211-I253 HydrophobicContact CZ-CD1 4.19Å; F211-I253 HydrophobicContact CZ-CG1 4.36Å |
| 212 | S | 87.6 | Confident | 87.5 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.9 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | I214 N221 G251 A252 | S212-I214 VanDerWaalsContact C-N 3.27Å; S212-I214 PolarHBondContact O-N 3.27Å; S212-N221 VanDerWaalsContact C-OD1 3.24Å; S212-N221 WeakPolarHBondContact CA-OD1 3.39Å; S212-G251 CarbonylContact O-C 3.4Å; S212-G251 WeakPolarHBondContact O-CA 3.13Å; S212-A252 PolarHBondContact N-O 3.18Å; S212-A252 PolarHBondContact O-N 3.35Å |
| 213 | G | 79.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 68 | 17.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N221 G251 | G213-N221 PolarHBondContact N-OD1 3.18Å; G213-N221 VanDerWaalsContact N-OD1 3.14Å; G213-G251 VanDerWaalsContact C-CA 3.41Å; G213-G251 VanDerWaalsContact O-CA 3.27Å; G213-G251 WeakPolarHBondContact O-CA 3.36Å; G213-G251 PolarHBondContact O-N 3.45Å |
| 214 | I | 84.4 | Confident | 88.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.2 | 175.1 | -61.8 | 165.9 | 0 | 0 | 0 | 109.4 | I181 I184 F211 S212 M217 L220 N221 Y247 | I181-I214 HydrophobicContact CD1-CD1 3.87Å; I181-I214 HydrophobicContact CD1-CG1 3.9Å; I184-I214 HydrophobicContact CD1-CD1 3.66Å; I184-I214 HydrophobicContact CD1-CG1 4.29Å; I184-I214 HydrophobicContact CD1-CG2 4.37Å; F211-I214 HydrophobicContact CB-CD1 3.53Å; F211-I214 HydrophobicContact CB-CG1 4.5Å; F211-I214 HydrophobicContact CD1-CD1 4.25Å; F211-I214 HydrophobicContact CG-CD1 4.04Å; S212-I214 VanDerWaalsContact C-N 3.27Å; S212-I214 PolarHBondContact O-N 3.27Å; I214-M217 HydrophobicContact CG2-CB 3.99Å; I214-M217 WeakPolarHBondContact CG2-O 3.35Å; I214-L220 HydrophobicContact CD1-CB 3.66Å; I214-L220 HydrophobicContact CD1-CD1 4.05Å; I214-N221 VanDerWaalsContact CB-OD1 3.3Å; I214-N221 WeakPolarHBondContact CB-OD1 3.42Å; I214-N221 PolarHBondContact N-OD1 2.89Å; I214-N221 PolarHBondContact O-ND2 3.09Å; I214-Y247 HydrophobicContact CG2-CD2 3.73Å; I214-Y247 HydrophobicContact CG2-CE2 4.04Å |
| 215 | E | 81.9 | Confident | 89 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.3 | 169 | -67.5 | 178.1 | -155.1 | 0 | 0 | 110.6 | M217 L248 R249 | E215-M217 PolarHBondContact O-N 3.37Å; E215-L248 HydrophobicContact CB-CB 4.43Å; E215-L248 WeakPolarHBondContact O-CB 3.27Å; E215-L248 PolarHBondContact O-N 3.44Å; E215-R249 HydrophobicContact CB-CG 4.02Å; E215-R249 WeakPolarHBondContact CB-O 3.2Å; E215-R249 HydrophobicContact CG-CG 4.34Å; E215-R249 PolarHBondContact N-O 3.4Å; E215-R249 PolarHBondContact O-N 3.47Å; E215-R249 WeakPolarHBondContact OE2-CD 3.11Å; E215-R249 VanDerWaalsContact OE2-CG 3.32Å; E215-R249 WeakPolarHBondContact OE2-CG 3.2Å; E215-R249 IonicContact OE2-NE 3.59Å |
| 216 | G | 88.6 | Confident | 89.1 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 96.5 | -67 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V218 S245 R246 | G216-V218 VanDerWaalsContact C-N 3.3Å; G216-V218 PolarHBondContact O-N 3Å; G216-V218 VanDerWaalsContact O-N 3.16Å; G216-S245 WeakPolarHBondContact O-CB 3.24Å; G216-R246 CarbonylContact C-O 3.24Å; G216-R246 VanDerWaalsContact C-O 3.31Å; G216-R246 WeakPolarHBondContact CA-O 3.39Å |
| 217 | M | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -89.6 | 62.7 | 179.9 | -167.3 | 176.9 | -72.8 | 0 | 0 | 110.9 | I184 Q186 I214 E215 E219 L220 T241 F244 S245 | I184-M217 HydrophobicContact CB-CE 4.39Å; I184-M217 HydrophobicContact CB-SD 4.13Å; I184-M217 HydrophobicContact CD1-SD 4.41Å; I184-M217 HydrophobicContact CG2-CE 4.08Å; I184-M217 HydrophobicContact CG2-SD 3.59Å; I184-M217 VanDerWaalsContact CG2-SD 3.59Å; Q186-M217 HydrophobicContact CG-CE 3.73Å; I214-M217 HydrophobicContact CG2-CB 3.99Å; I214-M217 WeakPolarHBondContact CG2-O 3.35Å; E215-M217 PolarHBondContact O-N 3.37Å; M217-E219 VanDerWaalsContact C-OE2 3.29Å; M217-E219 PolarHBondContact O-N 3.23Å; M217-L220 HydrophobicContact CG-CD1 3.91Å; M217-L220 HydrophobicContact CG-CG 4.18Å; M217-L220 PolarHBondContact O-N 3.34Å; M217-L220 HydrophobicContact SD-CD1 3.4Å; M217-L220 WeakPolarHBondContact SD-CD1 3.36Å; M217-L220 HydrophobicContact SD-CG 4.18Å; M217-T241 HydrophobicContact SD-CG2 4.23Å; M217-F244 HydrophobicContact CG-CB 3.82Å; M217-F244 HydrophobicContact CG-CD2 4.06Å; M217-F244 HydrophobicContact CG-CG 4.44Å; M217-F244 HydrophobicContact SD-CB 4.35Å; M217-F244 HydrophobicContact SD-CD2 4.19Å; M217-S245 WeakPolarHBondContact CA-O 3.4Å; M217-S245 VanDerWaalsContact CB-O 3.29Å; M217-S245 WeakPolarHBondContact CB-O 3.31Å; M217-S245 WeakPolarHBondContact CE-O 3.29Å; M217-S245 WeakPolarHBondContact CG-O 3.36Å | ||
| 218 | V | 91.8 | Very high | 89.7 | Confident | 83 Ų | 83 | 48 Ų | 48 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -70.2 | -18.6 | -170.1 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | G216 L220 N221 | G216-V218 VanDerWaalsContact C-N 3.3Å; G216-V218 PolarHBondContact O-N 3Å; G216-V218 VanDerWaalsContact O-N 3.16Å; V218-L220 PolarHBondContact O-N 3.49Å; V218-N221 WeakPolarHBondContact O-CB 3.2Å; V218-N221 PolarHBondContact O-N 3.35Å |
| 219 | E | 94.8 | Very high | 89.8 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -63.2 | -19.5 | 178.1 | -55.1 | 88.3 | 161.1 | 0 | 0 | 112.6 | M217 F244 S245 | M217-E219 VanDerWaalsContact C-OE2 3.29Å; M217-E219 PolarHBondContact O-N 3.23Å; E219-F244 HydrophobicContact CB-CD1 3.89Å; E219-F244 HydrophobicContact CB-CD2 4.12Å; E219-F244 HydrophobicContact CB-CE1 4.06Å; E219-F244 HydrophobicContact CB-CE2 4.27Å; E219-F244 HydrophobicContact CB-CG 3.93Å; E219-F244 HydrophobicContact CB-CZ 4.24Å; E219-F244 HydrophobicContact CG-CB 4.5Å; E219-F244 HydrophobicContact CG-CD1 4.11Å; E219-F244 HydrophobicContact CG-CG 4.3Å; E219-S245 VanDerWaalsContact OE1-CB 3.3Å; E219-S245 WeakPolarHBondContact OE1-CB 3.39Å; E219-S245 PolarHBondContact OE1-N 3.21Å; E219-S245 PolarHBondContact OE1-OG 2.87Å; E219-S245 PolarHBondContact OE2-N 3.15Å |
| 220 | L | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -82.6 | -23.2 | 173.8 | -74.4 | 176.3 | 0 | 0 | 0 | 113.3 | I184 F211 I214 M217 V218 D222 C223 I238 F244 | I184-L220 HydrophobicContact CD1-CD1 3.66Å; I184-L220 HydrophobicContact CG2-CD1 4.22Å; F211-L220 HydrophobicContact CB-CB 4.24Å; F211-L220 WeakPolarHBondContact CB-O 3.38Å; F211-L220 HydrophobicContact CD2-CB 4.01Å; F211-L220 HydrophobicContact CD2-CD2 3.97Å; F211-L220 HydrophobicContact CD2-CG 4.47Å; F211-L220 HydrophobicContact CE2-CD2 3.94Å; F211-L220 HydrophobicContact CG-CB 4.21Å; I214-L220 HydrophobicContact CD1-CB 3.66Å; I214-L220 HydrophobicContact CD1-CD1 4.05Å; M217-L220 HydrophobicContact CG-CD1 3.91Å; M217-L220 HydrophobicContact CG-CG 4.18Å; M217-L220 PolarHBondContact O-N 3.34Å; M217-L220 HydrophobicContact SD-CD1 3.4Å; M217-L220 WeakPolarHBondContact SD-CD1 3.36Å; M217-L220 HydrophobicContact SD-CG 4.18Å; V218-L220 PolarHBondContact O-N 3.49Å; L220-D222 PolarHBondContact O-N 2.95Å; L220-C223 PolarHBondContact O-N 3.47Å; L220-C223 PolarHBondContact O-SG 2.95Å; L220-I238 HydrophobicContact CD1-CD1 3.76Å; L220-I238 HydrophobicContact CD2-CD1 4.23Å; L220-F244 HydrophobicContact CD2-CD2 4.25Å; L220-F244 HydrophobicContact CD2-CE2 3.67Å; L220-F244 HydrophobicContact CG-CD2 4.02Å; L220-F244 HydrophobicContact CG-CE2 3.92Å |
| 221 | N | 90.3 | Very high | 89.5 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 129.6 | -177.4 | -68.6 | -36.6 | 0 | 0 | 0 | 110.5 | F211 S212 G213 I214 V218 C223 | F211-N221 CarbonylContact O-C 3.54Å; F211-N221 WeakPolarHBondContact O-CA 3.4Å; S212-N221 VanDerWaalsContact C-OD1 3.24Å; S212-N221 WeakPolarHBondContact CA-OD1 3.39Å; G213-N221 PolarHBondContact N-OD1 3.18Å; G213-N221 VanDerWaalsContact N-OD1 3.14Å; I214-N221 VanDerWaalsContact CB-OD1 3.3Å; I214-N221 WeakPolarHBondContact CB-OD1 3.42Å; I214-N221 PolarHBondContact N-OD1 2.89Å; I214-N221 PolarHBondContact O-ND2 3.09Å; V218-N221 WeakPolarHBondContact O-CB 3.2Å; V218-N221 PolarHBondContact O-N 3.35Å; N221-C223 PolarHBondContact O-N 2.85Å; N221-C223 VanDerWaalsContact O-N 3.16Å |
| 222 | D | 86.8 | Confident | 89.1 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 73% | 0.733 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 29.3 | 179.9 | -52.8 | -53.7 | 0 | 0 | 0 | 113.3 | F211 L220 | F211-D222 PolarHBondContact O-N 3.18Å; L220-D222 PolarHBondContact O-N 2.95Å |
| 223 | C | 89.1 | Confident | 88.9 | Confident | 28 Ų | 28 | 69 Ų | 69 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 158.4 | 177 | 78.3 | 0 | 0 | 0 | 0 | 111.8 | T210 L220 N221 | T210-C223 PolarHBondContact OG1-O 3.2Å; L220-C223 PolarHBondContact O-N 3.47Å; L220-C223 PolarHBondContact O-SG 2.95Å; N221-C223 PolarHBondContact O-N 2.85Å; N221-C223 VanDerWaalsContact O-N 3.16Å |
| 224 | D | 89.3 | Confident | 89 | Confident | 142 Ų | 142 | 67.8 Ų | 67.8 | 76% | 0.759 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 144.3 | 170.4 | -72.7 | -36.6 | 0 | 0 | 0 | 110.7 | R226 | D224-R226 VanDerWaalsContact O-CG 3.26Å; D224-R226 WeakPolarHBondContact O-CG 3.39Å; D224-R226 PolarHBondContact O-N 2.87Å |
| 225 | P | 91 | Very high | 89.2 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -57 | 128.4 | -175.4 | -24.4 | 33 | 0 | 0 | 0 | 112.5 | L208 V209 V256 | L208-P225 HydrophobicContact CB-CB 4.06Å; L208-P225 HydrophobicContact CD1-CB 4.32Å; V209-P225 WeakPolarHBondContact O-CA 3.35Å; P225-V256 HydrophobicContact CB-CB 4.11Å; P225-V256 HydrophobicContact CB-CG1 4.18Å; P225-V256 HydrophobicContact CB-CG2 4.13Å; P225-V256 HydrophobicContact CG-CB 4.22Å; P225-V256 HydrophobicContact CG-CG1 3.84Å; P225-V256 HydrophobicContact CG-CG2 4.11Å |
| 226 | R | 91.2 | Very high | 89.7 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143.2 | -178.5 | -53.6 | -175.6 | 70.8 | -173.7 | 2.9 | 110.6 | L208 V209 D224 I238 | L208-R226 CarbonylContact C-O 2.96Å; L208-R226 WeakPolarHBondContact CA-O 3.33Å; V209-R226 PolarHBondContact N-O 2.83Å; V209-R226 PolarHBondContact O-N 2.84Å; D224-R226 VanDerWaalsContact O-CG 3.26Å; D224-R226 WeakPolarHBondContact O-CG 3.39Å; D224-R226 PolarHBondContact O-N 2.87Å; R226-I238 PolarHBondContact NE-O 2.85Å; R226-I238 PolarHBondContact NH1-O 3.05Å; R226-I238 VanDerWaalsContact NH1-O 3.11Å; R226-I238 PolarHBondContact NH2-O 3.1Å |
| 227 | S | 91.8 | Very high | 90.1 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 139.7 | 172.9 | -165.9 | 0 | 0 | 0 | 0 | 110.4 | D207 | D207-S227 WeakPolarHBondContact O-CA 3.45Å |
| 228 | I | 92.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | trans | -105.2 | 154.7 | 173.2 | 65.7 | -178.7 | 0 | 0 | 0 | 111.8 | F203 G206 D207 V209 V230 L236 E237 I238 | F203-I228 HydrophobicContact CB-CD1 3.79Å; F203-I228 HydrophobicContact CD1-CD1 4.15Å; F203-I228 HydrophobicContact CG-CD1 4.14Å; G206-I228 PolarHBondContact N-O 3.33Å; D207-I228 HydrophobicContact CB-CD1 4.03Å; D207-I228 HydrophobicContact CB-CG1 4.17Å; D207-I228 PolarHBondContact O-N 3.19Å; V209-I228 HydrophobicContact CB-CG2 4.28Å; V209-I228 HydrophobicContact CG1-CD1 4Å; V209-I228 HydrophobicContact CG1-CG2 3.89Å; V209-I228 HydrophobicContact CG2-CG2 3.39Å; I228-V230 HydrophobicContact CD1-CG2 4.38Å; I228-L236 HydrophobicContact CD1-CD1 4.09Å; I228-L236 HydrophobicContact CD1-CD2 4.19Å; I228-E237 VanDerWaalsContact CA-O 3.32Å; I228-E237 WeakPolarHBondContact CA-O 3.46Å; I228-I238 HydrophobicContact CG2-CG2 4.2Å | ||
| 229 | H | 92.6 | Very high | 90.1 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 39% | 0.394 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.8 | 162.7 | -178.9 | 62.7 | 0 | 0 | 0 | 110.1 | D205 L236 E237 | D205-H229 WeakPolarHBondContact OD1-CA 3.42Å; D205-H229 IonicContact OD1-CE1 3.47Å; D205-H229 IonicContact OD1-CG 4Å; D205-H229 IonicContact OD1-ND1 3.99Å; D205-H229 PolarHBondContact OD1-ND1 2.98Å; D205-H229 IonicContact OD2-ND1 3.82Å; H229-L236 WeakPolarHBondContact O-CA 3.35Å; H229-E237 HydrophobicContact CB-CB 4.05Å; H229-E237 HydrophobicContact CB-CG 4.29Å; H229-E237 IonicContact CD2-OE2 3.49Å; H229-E237 PolarHBondContact N-O 3.4Å; H229-E237 VanDerWaalsContact N-O 3.09Å; H229-E237 PolarHBondContact O-N 3.46Å |
| 230 | V | 90.4 | Very high | 90.1 | Very high | 45 Ų | 45 | 61.5 Ų | 61.5 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117.9 | -177.8 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | F203 R204 D205 I228 L236 | F203-V230 HydrophobicContact CB-CG2 4.48Å; R204-V230 VanDerWaalsContact C-CG2 3.5Å; D205-V230 PolarHBondContact OD1-N 2.8Å; I228-V230 HydrophobicContact CD1-CG2 4.38Å; V230-L236 HydrophobicContact CB-CD2 4.3Å; V230-L236 HydrophobicContact CG1-CD2 4.18Å; V230-L236 HydrophobicContact CG2-CD2 3.84Å |
| 231 | R | 88.2 | Confident | 90.1 | Very high | 101 Ų | 101 | 61.5 Ų | 61.5 | 38% | 0.381 | 33% | 0.332 | S | S | . | . | trans | -83.8 | 160 | -179 | -58.1 | -177.6 | 75.5 | -157.4 | 4.4 | 111.6 | D233 G234 S235 E237 | R231-D233 WeakPolarHBondContact CB-OD1 3.44Å; R231-D233 PolarHBondContact O-N 3.08Å; R231-D233 VanDerWaalsContact O-N 3.15Å; R231-G234 PolarHBondContact O-N 3.06Å; R231-S235 WeakPolarHBondContact CB-O 3.45Å; R231-S235 WeakPolarHBondContact CD-OG 3.1Å; R231-S235 PolarHBondContact N-O 2.97Å; R231-E237 WeakPolarHBondContact CD-OE1 3.33Å; R231-E237 HydrophobicContact CG-CG 3.86Å; R231-E237 IonicContact NE-OE1 3.68Å; R231-E237 PolarHBondContact NE-OE1 2.9Å | ||
| 232 | E | 84.9 | Confident | 90.3 | Very high | 211 Ų | 211 | 63.1 Ų | 63.1 | 99% | 0.986 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.4 | 179.5 | -66 | -175.4 | 171.5 | 0 | 0 | 113.5 | G234 | E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 3.17Å |
| 233 | D | 82.9 | Confident | 90.6 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.7 | 177.4 | 70.6 | -6.5 | 0 | 0 | 0 | 113.9 | R231 S235 | R231-D233 WeakPolarHBondContact CB-OD1 3.44Å; R231-D233 PolarHBondContact O-N 3.08Å; R231-D233 VanDerWaalsContact O-N 3.15Å; D233-S235 VanDerWaalsContact C-N 3.33Å; D233-S235 WeakPolarHBondContact OD1-CB 3.27Å; D233-S235 PolarHBondContact OD1-N 2.99Å; D233-S235 PolarHBondContact OD1-OG 2.82Å; D233-S235 PolarHBondContact OD2-OG 3.41Å |
| 234 | G | 81.9 | Confident | 90.9 | Very high | 31 Ų | 31 | 63 Ų | 63 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 81 | 3.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | R231 E232 | R231-G234 PolarHBondContact O-N 3.06Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 3.17Å |
| 235 | S | 89 | Confident | 91.1 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | trans | -78.5 | 156.3 | 170.2 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | L192 R231 D233 | L192-S235 WeakPolarHBondContact O-CB 3.33Å; R231-S235 WeakPolarHBondContact CB-O 3.45Å; R231-S235 WeakPolarHBondContact CD-OG 3.1Å; R231-S235 PolarHBondContact N-O 2.97Å; D233-S235 VanDerWaalsContact C-N 3.33Å; D233-S235 WeakPolarHBondContact OD1-CB 3.27Å; D233-S235 PolarHBondContact OD1-N 2.99Å; D233-S235 PolarHBondContact OD1-OG 2.82Å; D233-S235 PolarHBondContact OD2-OG 3.41Å | ||
| 236 | L | 92.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.7 | -173.4 | -52.7 | -177.7 | 0 | 0 | 0 | 110.5 | L192 L194 F203 I228 H229 V230 I238 I253 | L192-L236 HydrophobicContact CB-CB 4.37Å; L192-L236 HydrophobicContact CD2-CD1 4.31Å; L192-L236 PolarHBondContact N-O 3.3Å; L192-L236 PolarHBondContact O-N 3.18Å; L194-L236 HydrophobicContact CD1-CD1 4.15Å; L194-L236 HydrophobicContact CD1-CG 4.47Å; L194-L236 HydrophobicContact CD2-CD1 4.15Å; L194-L236 HydrophobicContact CG-CD1 4.29Å; F203-L236 HydrophobicContact CD2-CD1 4.18Å; F203-L236 HydrophobicContact CG-CD1 4.47Å; I228-L236 HydrophobicContact CD1-CD1 4.09Å; I228-L236 HydrophobicContact CD1-CD2 4.19Å; H229-L236 WeakPolarHBondContact O-CA 3.35Å; V230-L236 HydrophobicContact CB-CD2 4.3Å; V230-L236 HydrophobicContact CG1-CD2 4.18Å; V230-L236 HydrophobicContact CG2-CD2 3.84Å; L236-I238 HydrophobicContact CB-CG2 4.41Å; L236-I253 HydrophobicContact CD1-CD1 3.54Å |
| 237 | E | 95.1 | Very high | 91.1 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 23% | 0.229 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.4 | 168.3 | -49.8 | -171.3 | 167.4 | 0 | 0 | 109.2 | P189 G190 I191 I228 H229 R231 | P189-E237 HydrophobicContact CB-CB 3.96Å; P189-E237 HydrophobicContact CB-CG 4.49Å; P189-E237 HydrophobicContact CG-CB 4.19Å; P189-E237 HydrophobicContact CG-CG 4.19Å; G190-E237 WeakPolarHBondContact O-CA 3.47Å; I191-E237 HydrophobicContact CD1-CB 4.47Å; I191-E237 HydrophobicContact CD1-CG 3.8Å; I228-E237 VanDerWaalsContact CA-O 3.32Å; I228-E237 WeakPolarHBondContact CA-O 3.46Å; H229-E237 HydrophobicContact CB-CB 4.05Å; H229-E237 HydrophobicContact CB-CG 4.29Å; H229-E237 IonicContact CD2-OE2 3.49Å; H229-E237 PolarHBondContact N-O 3.4Å; H229-E237 VanDerWaalsContact N-O 3.09Å; H229-E237 PolarHBondContact O-N 3.46Å; R231-E237 WeakPolarHBondContact CD-OE1 3.33Å; R231-E237 HydrophobicContact CG-CG 3.86Å; R231-E237 IonicContact NE-OE1 3.68Å; R231-E237 PolarHBondContact NE-OE1 2.9Å |
| 238 | I | 93.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | trans | -117.3 | 17.5 | -171.8 | 63 | 166.4 | 0 | 0 | 0 | 113.4 | I184 G190 L192 F211 L220 R226 I228 L236 T241 | I184-I238 HydrophobicContact CG2-CD1 3.81Å; G190-I238 PolarHBondContact O-N 3.3Å; L192-I238 HydrophobicContact CB-CD1 4.39Å; L192-I238 HydrophobicContact CB-CG2 4Å; L192-I238 HydrophobicContact CD1-CD1 4.35Å; L192-I238 HydrophobicContact CD1-CG2 4.21Å; F211-I238 HydrophobicContact CE1-CG2 4.35Å; F211-I238 HydrophobicContact CZ-CB 4.15Å; F211-I238 HydrophobicContact CZ-CD1 4.14Å; F211-I238 HydrophobicContact CZ-CG2 3.85Å; L220-I238 HydrophobicContact CD1-CD1 3.76Å; L220-I238 HydrophobicContact CD2-CD1 4.23Å; R226-I238 PolarHBondContact NE-O 2.85Å; R226-I238 PolarHBondContact NH1-O 3.05Å; R226-I238 VanDerWaalsContact NH1-O 3.11Å; R226-I238 PolarHBondContact NH2-O 3.1Å; I228-I238 HydrophobicContact CG2-CG2 4.2Å; L236-I238 HydrophobicContact CB-CG2 4.41Å; I238-T241 HydrophobicContact CD1-CG2 4.09Å; I238-T241 HydrophobicContact CG1-CG2 4.24Å | ||
| 239 | G | 91.7 | Very high | 89.6 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 80.3 | -168.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | G190 T241 | G190-G239 PolarHBondContact N-O 2.91Å; G239-T241 PolarHBondContact O-N 3.26Å |
| 240 | D | 93.6 | Very high | 88.8 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 37% | 0.369 | 36% | 0.355 | S | S | . | . | trans | -66.7 | 133.3 | -174.7 | -162.9 | -10.2 | 0 | 0 | 0 | 112.2 | T242 | D240-T242 VanDerWaalsContact OD1-CB 3.29Å; D240-T242 WeakPolarHBondContact OD1-CB 3.31Å; D240-T242 VanDerWaalsContact OD1-CG2 3.25Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.49Å; D240-T242 PolarHBondContact OD1-N 3.15Å; D240-T242 PolarHBondContact OD1-OG1 2.62Å; D240-T242 PolarHBondContact OD2-OG1 3.19Å | ||
| 241 | T | 94.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -133.5 | 9.1 | 177 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | S185 G187 G190 M217 I238 G239 T243 F244 | S185-T241 PolarHBondContact O-OG1 2.88Å; G187-T241 PolarHBondContact N-OG1 2.93Å; G187-T241 PolarHBondContact O-N 3.35Å; G187-T241 PolarHBondContact O-OG1 2.79Å; G190-T241 VanDerWaalsContact CA-OG1 3.28Å; G190-T241 WeakPolarHBondContact CA-OG1 3.44Å; M217-T241 HydrophobicContact SD-CG2 4.23Å; I238-T241 HydrophobicContact CD1-CG2 4.09Å; I238-T241 HydrophobicContact CG1-CG2 4.24Å; G239-T241 PolarHBondContact O-N 3.26Å; T241-T243 VanDerWaalsContact C-N 3.27Å; T241-T243 PolarHBondContact O-N 2.8Å; T241-F244 HydrophobicContact CG2-CD2 3.95Å; T241-F244 HydrophobicContact CG2-CE2 4.2Å; T241-F244 PolarHBondContact O-N 2.96Å; T241-F244 VanDerWaalsContact O-N 3.15Å | ||
| 242 | T | 92.9 | Very high | 88.1 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -33 | -175.4 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | D240 | D240-T242 VanDerWaalsContact OD1-CB 3.29Å; D240-T242 WeakPolarHBondContact OD1-CB 3.31Å; D240-T242 VanDerWaalsContact OD1-CG2 3.25Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.49Å; D240-T242 PolarHBondContact OD1-N 3.15Å; D240-T242 PolarHBondContact OD1-OG1 2.62Å; D240-T242 PolarHBondContact OD2-OG1 3.19Å |
| 243 | T | 93.7 | Very high | 88.3 | Confident | 117 Ų | 117 | 52.4 Ų | 52.4 | 72% | 0.718 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -6 | -180 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | T241 | T241-T243 VanDerWaalsContact C-N 3.27Å; T241-T243 PolarHBondContact O-N 2.8Å |
| 244 | F | 94.8 | Very high | 88.5 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 20% | 0.197 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -83.6 | 159.3 | -176.3 | -64.3 | -5.3 | 0 | 0 | 0 | 111.4 | Q186 M217 E219 L220 T241 | Q186-F244 PolarHBondContact NE2-O 3.06Å; M217-F244 HydrophobicContact CG-CB 3.82Å; M217-F244 HydrophobicContact CG-CD2 4.06Å; M217-F244 HydrophobicContact CG-CG 4.44Å; M217-F244 HydrophobicContact SD-CB 4.35Å; M217-F244 HydrophobicContact SD-CD2 4.19Å; E219-F244 HydrophobicContact CB-CD1 3.89Å; E219-F244 HydrophobicContact CB-CD2 4.12Å; E219-F244 HydrophobicContact CB-CE1 4.06Å; E219-F244 HydrophobicContact CB-CE2 4.27Å; E219-F244 HydrophobicContact CB-CG 3.93Å; E219-F244 HydrophobicContact CB-CZ 4.24Å; E219-F244 HydrophobicContact CG-CB 4.5Å; E219-F244 HydrophobicContact CG-CD1 4.11Å; E219-F244 HydrophobicContact CG-CG 4.3Å; L220-F244 HydrophobicContact CD2-CD2 4.25Å; L220-F244 HydrophobicContact CD2-CE2 3.67Å; L220-F244 HydrophobicContact CG-CD2 4.02Å; L220-F244 HydrophobicContact CG-CE2 3.92Å; T241-F244 HydrophobicContact CG2-CD2 3.95Å; T241-F244 HydrophobicContact CG2-CE2 4.2Å; T241-F244 PolarHBondContact O-N 2.96Å; T241-F244 VanDerWaalsContact O-N 3.15Å |
| 245 | S | 94.3 | Very high | 88.8 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 152.4 | 172.8 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | G216 M217 E219 Y247 | G216-S245 WeakPolarHBondContact O-CB 3.24Å; M217-S245 WeakPolarHBondContact CA-O 3.4Å; M217-S245 VanDerWaalsContact CB-O 3.29Å; M217-S245 WeakPolarHBondContact CB-O 3.31Å; M217-S245 WeakPolarHBondContact CE-O 3.29Å; M217-S245 WeakPolarHBondContact CG-O 3.36Å; E219-S245 VanDerWaalsContact OE1-CB 3.3Å; E219-S245 WeakPolarHBondContact OE1-CB 3.39Å; E219-S245 PolarHBondContact OE1-N 3.21Å; E219-S245 PolarHBondContact OE1-OG 2.87Å; E219-S245 PolarHBondContact OE2-N 3.15Å; S245-Y247 PolarHBondContact O-N 3.09Å |
| 246 | R | 90.9 | Very high | 88.7 | Confident | 187 Ų | 187 | 51.1 Ų | 51.1 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 130 | -176.9 | -178.2 | 178.6 | 173.1 | 176.2 | 0.8 | 110.5 | G216 L248 | G216-R246 CarbonylContact C-O 3.24Å; G216-R246 VanDerWaalsContact C-O 3.31Å; G216-R246 WeakPolarHBondContact CA-O 3.39Å; R246-L248 PolarHBondContact O-N 2.85Å |
| 247 | Y | 89.9 | Confident | 88.2 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 131.1 | 171.5 | 174.2 | -94.1 | 0 | 0 | 0 | 111.2 | I181 Q182 H183 I184 I214 S245 R249 G250 | I181-Y247 HydrophobicContact CG2-CE2 4.1Å; Q182-Y247 PolarHBondContact O-OH 3.37Å; H183-Y247 HydrophobicContact CB-CE1 4.47Å; H183-Y247 AromaticContact CD2-CD1 3.99Å; I184-Y247 HydrophobicContact CB-CD2 4.08Å; I184-Y247 HydrophobicContact CB-CG 4.1Å; I184-Y247 HydrophobicContact CD1-CD2 3.83Å; I184-Y247 HydrophobicContact CD1-CE2 4.2Å; I184-Y247 HydrophobicContact CG1-CD2 3.75Å; I184-Y247 HydrophobicContact CG1-CE2 4.08Å; I184-Y247 HydrophobicContact CG1-CG 4.24Å; I184-Y247 WeakPolarHBondContact O-CB 3.42Å; I214-Y247 HydrophobicContact CG2-CD2 3.73Å; I214-Y247 HydrophobicContact CG2-CE2 4.04Å; S245-Y247 PolarHBondContact O-N 3.09Å; Y247-R249 VanDerWaalsContact CZ-CA 3.49Å; Y247-R249 VanDerWaalsContact OH-C 3.32Å; Y247-R249 WeakPolarHBondContact OH-CA 3.26Å; Y247-G250 WeakPolarHBondContact CE2-O 3.37Å; Y247-G250 PolarHBondContact OH-N 2.73Å; Y247-G250 VanDerWaalsContact OH-N 3.14Å; Y247-G250 PolarHBondContact OH-O 3.12Å |
| 248 | L | 77.7 | Confident | 87.6 | Confident | 113 Ų | 113 | 56.8 Ų | 56.8 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | trans | -104.9 | -57.8 | 176.5 | -62.8 | 176.8 | 0 | 0 | 0 | 111 | E215 R246 | E215-L248 HydrophobicContact CB-CB 4.43Å; E215-L248 WeakPolarHBondContact O-CB 3.27Å; E215-L248 PolarHBondContact O-N 3.44Å; R246-L248 PolarHBondContact O-N 2.85Å | ||
| 249 | R | 76.3 | Confident | 87.4 | Confident | 142 Ų | 142 | 60.8 Ų | 60.8 | 54% | 0.536 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 170.1 | -177.4 | 67 | -175.2 | 86.2 | -157 | 4.3 | 111.7 | E215 Y247 | E215-R249 HydrophobicContact CB-CG 4.02Å; E215-R249 WeakPolarHBondContact CB-O 3.2Å; E215-R249 HydrophobicContact CG-CG 4.34Å; E215-R249 PolarHBondContact N-O 3.4Å; E215-R249 PolarHBondContact O-N 3.47Å; E215-R249 WeakPolarHBondContact OE2-CD 3.11Å; E215-R249 VanDerWaalsContact OE2-CG 3.32Å; E215-R249 WeakPolarHBondContact OE2-CG 3.2Å; E215-R249 IonicContact OE2-NE 3.59Å; Y247-R249 VanDerWaalsContact CZ-CA 3.49Å; Y247-R249 VanDerWaalsContact OH-C 3.32Å; Y247-R249 WeakPolarHBondContact OH-CA 3.26Å |
| 250 | G | 74.9 | Confident | 87.4 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.1 | -170.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y247 | Y247-G250 WeakPolarHBondContact CE2-O 3.37Å; Y247-G250 PolarHBondContact OH-N 2.73Å; Y247-G250 VanDerWaalsContact OH-N 3.14Å; Y247-G250 PolarHBondContact OH-O 3.12Å |
| 251 | G | 81.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 97.6 | 159 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I181 S212 G213 | I181-G251 PolarHBondContact N-O 2.92Å; S212-G251 CarbonylContact O-C 3.4Å; S212-G251 WeakPolarHBondContact O-CA 3.13Å; G213-G251 VanDerWaalsContact C-CA 3.41Å; G213-G251 VanDerWaalsContact O-CA 3.27Å; G213-G251 WeakPolarHBondContact O-CA 3.36Å; G213-G251 PolarHBondContact O-N 3.45Å |
| 252 | A | 82.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T178 A179 F211 S212 | T178-A252 HydrophobicContact CG2-CB 4.11Å; A179-A252 CarbonylContact O-C 3.59Å; A179-A252 VanDerWaalsContact O-CA 3.29Å; A179-A252 WeakPolarHBondContact O-CA 3.42Å; F211-A252 VanDerWaalsContact CA-O 3.28Å; F211-A252 WeakPolarHBondContact CA-O 3.41Å; S212-A252 PolarHBondContact N-O 3.18Å; S212-A252 PolarHBondContact O-N 3.35Å |
| 253 | I | 88.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135.9 | 166.3 | -174.4 | 171.2 | 0 | 0 | 0 | 107.9 | T178 A179 I181 L192 L194 F203 V209 F211 L236 | T178-I253 CarbonylContact C-O 3.43Å; T178-I253 VanDerWaalsContact CA-O 3.3Å; T178-I253 WeakPolarHBondContact CA-O 3.4Å; A179-I253 HydrophobicContact CB-CG2 3.9Å; A179-I253 PolarHBondContact N-O 2.94Å; A179-I253 WeakPolarHBondContact O-CG2 3.46Å; A179-I253 PolarHBondContact O-N 3.45Å; I181-I253 HydrophobicContact CG1-CB 4.46Å; L192-I253 HydrophobicContact CD1-CD1 4.2Å; L194-I253 HydrophobicContact CD2-CG2 3.55Å; F203-I253 HydrophobicContact CE2-CG2 3.98Å; F203-I253 HydrophobicContact CZ-CG2 3.9Å; V209-I253 HydrophobicContact CB-CD1 3.94Å; V209-I253 HydrophobicContact CB-CG1 3.69Å; V209-I253 HydrophobicContact CG1-CD1 3.89Å; V209-I253 HydrophobicContact CG1-CG1 3.93Å; V209-I253 HydrophobicContact CG2-CD1 3.78Å; V209-I253 HydrophobicContact CG2-CG1 3.94Å; F211-I253 HydrophobicContact CD1-CB 3.97Å; F211-I253 HydrophobicContact CD1-CD1 4.45Å; F211-I253 HydrophobicContact CD1-CG1 3.99Å; F211-I253 HydrophobicContact CE1-CB 3.95Å; F211-I253 HydrophobicContact CE1-CD1 3.6Å; F211-I253 HydrophobicContact CE1-CG1 3.59Å; F211-I253 HydrophobicContact CZ-CD1 4.19Å; F211-I253 HydrophobicContact CZ-CG1 4.36Å; L236-I253 HydrophobicContact CD1-CD1 3.54Å |
| 254 | T | 87.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.9 | 179.9 | -57.7 | 0 | 0 | 0 | 0 | 110 | P176 L177 T178 V209 T210 | P176-T254 HydrophobicContact CB-CG2 4.34Å; L177-T254 CarbonylContact O-C 3.35Å; L177-T254 WeakPolarHBondContact O-CA 3.32Å; T178-T254 WeakPolarHBondContact OG1-CG2 3.37Å; T178-T254 PolarHBondContact OG1-OG1 2.7Å; V209-T254 CarbonylContact C-O 3.53Å; V209-T254 WeakPolarHBondContact CA-O 3.38Å; T210-T254 PolarHBondContact N-O 2.87Å; T210-T254 PolarHBondContact O-N 3.27Å |
| 255 | E | 87.7 | Confident | 87.8 | Confident | 44 Ų | 44 | 67 Ų | 67 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 141.7 | 172.4 | -170.1 | -169.3 | 174 | 0 | 0 | 110.6 | P176 L177 F203 L208 | P176-E255 HydrophobicContact CB-CB 4.15Å; P176-E255 VanDerWaalsContact CB-O 3.25Å; P176-E255 WeakPolarHBondContact CB-O 3.43Å; L177-E255 HydrophobicContact CB-CB 4.15Å; L177-E255 WeakPolarHBondContact CG-OE2 3.41Å; L177-E255 PolarHBondContact N-OE2 3.46Å; L177-E255 PolarHBondContact O-N 3.29Å; F203-E255 HydrophobicContact CE1-CB 4.12Å; L208-E255 CarbonylContact O-C 3.58Å; L208-E255 WeakPolarHBondContact O-CA 3.44Å |
| 256 | V | 87.1 | Confident | 88 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | trans | -115.4 | 114.1 | 172.7 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | L208 T210 P225 R258 | L208-V256 HydrophobicContact CB-CB 4.26Å; L208-V256 PolarHBondContact O-N 3.37Å; T210-V256 HydrophobicContact CG2-CG2 3.89Å; P225-V256 HydrophobicContact CB-CB 4.11Å; P225-V256 HydrophobicContact CB-CG1 4.18Å; P225-V256 HydrophobicContact CB-CG2 4.13Å; P225-V256 HydrophobicContact CG-CB 4.22Å; P225-V256 HydrophobicContact CG-CG1 3.84Å; P225-V256 HydrophobicContact CG-CG2 4.11Å; V256-R258 PolarHBondContact O-N 3.4Å | ||
| 257 | K | 82.7 | Confident | 88.3 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.4 | 178.8 | -64.9 | -174.5 | -179 | 178.1 | 0 | 110.7 | D170 T172 A174 P176 | D170-K257 VanDerWaalsContact CG-NZ 3.27Å; D170-K257 WeakPolarHBondContact OD1-CD 3.23Å; D170-K257 WeakPolarHBondContact OD1-CE 3.3Å; D170-K257 IonicContact OD1-NZ 2.66Å; D170-K257 PolarHBondContact OD1-NZ 3.42Å; D170-K257 IonicContact OD2-NZ 3.47Å; D170-K257 PolarHBondContact OD2-NZ 3.17Å; D170-K257 VanDerWaalsContact OD2-NZ 3.17Å; T172-K257 PolarHBondContact O-NZ 3.17Å; A174-K257 WeakPolarHBondContact O-CE 3.41Å; A174-K257 PolarHBondContact O-NZ 2.91Å; P176-K257 HydrophobicContact CG-CG 4.48Å |
| 258 | R | 83.2 | Confident | 88.5 | Confident | 133 Ų | 133 | 58.6 Ų | 58.6 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -81 | 126 | 176.3 | -69.4 | -179.6 | -173.8 | -127.1 | 5.2 | 110.1 | G206 L208 V256 | G206-R258 PolarHBondContact O-NH2 3.14Å; L208-R258 HydrophobicContact CD1-CG 3.66Å; L208-R258 HydrophobicContact CG-CG 4.26Å; V256-R258 PolarHBondContact O-N 3.4Å |
| 259 | P | 88.7 | Confident | 89.4 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 56% | 0.558 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 143.6 | 165.6 | -22.6 | 33.7 | 0 | 0 | 0 | 110.4 | T167 V168 | T167-P259 HydrophobicContact CG2-CB 3.84Å; V168-P259 CarbonylContact O-C 3.52Å; V168-P259 WeakPolarHBondContact O-CA 3.44Å; V168-P259 WeakPolarHBondContact O-CB 3.35Å |
| 260 | K | 91.4 | Very high | 90.3 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.7 | 178.6 | -176.9 | 171.1 | 171.7 | -172.6 | 0 | 109.7 | V168 M381 | V168-K260 WeakPolarHBondContact CB-O 3.26Å; V168-K260 PolarHBondContact N-O 3.06Å; V168-K260 PolarHBondContact O-N 3.35Å; K260-M381 HydrophobicContact CB-SD 4.47Å; K260-M381 HydrophobicContact CD-CE 4.02Å; K260-M381 HydrophobicContact CD-SD 3.78Å; K260-M381 HydrophobicContact CG-SD 4.42Å |
| 261 | T | 94.3 | Very high | 91.2 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.3 | 170.3 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | D165 F166 T167 | D165-T261 WeakPolarHBondContact OD1-CG2 3.48Å; F166-T261 CarbonylContact O-C 3.55Å; F166-T261 WeakPolarHBondContact O-CA 3.43Å; T167-T261 PolarHBondContact OG1-OG1 2.73Å |
| 262 | V | 94.3 | Very high | 91.8 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 156.9 | 170 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | F166 V168 M381 P382 | F166-V262 HydrophobicContact CB-CG2 3.9Å; F166-V262 HydrophobicContact CD1-CG2 4Å; F166-V262 HydrophobicContact CG-CG2 4.38Å; F166-V262 PolarHBondContact N-O 2.96Å; F166-V262 VanDerWaalsContact N-O 3.08Å; F166-V262 PolarHBondContact O-N 3.36Å; V168-V262 HydrophobicContact CG2-CG1 4.41Å; V262-M381 HydrophobicContact CG1-CE 3.49Å; V262-M381 VanDerWaalsContact CG1-CE 3.49Å; V262-M381 HydrophobicContact CG1-SD 4.47Å; V262-P382 HydrophobicContact CG1-CG 4.37Å; V262-P382 HydrophobicContact CG2-CG 3.75Å |
| 263 | R | 96.3 | Very high | 92.2 | Very high | 194 Ų | 194 | 52.1 Ų | 52.1 | 73% | 0.732 | 25% | 0.254 | S | S | * | . | trans | -132.6 | 115.9 | -179.9 | -46.7 | -164.4 | 171.6 | 162.1 | -4.1 | 108.7 | E164 | E164-R263 WeakPolarHBondContact O-CB 3.5Å; E164-R263 WeakPolarHBondContact O-CD 3.49Å; E164-R263 WeakPolarHBondContact O-CG 3.3Å | ||
| 264 | H | 97.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 151.5 | 177 | -67.4 | -175.9 | 0 | 0 | 0 | 110.9 | H140 C160 F162 G163 L383 D384 | H140-H264 PolarHBondContact CE1-O 2.91Å; C160-H264 PolarHBondContact O-ND1 3.33Å; F162-H264 PolarHBondContact N-ND1 3.28Å; F162-H264 VanDerWaalsContact N-ND1 3.16Å; G163-H264 PolarHBondContact O-N 3.16Å; H264-L383 PolarHBondContact CE1-O 3.2Å; H264-D384 IonicContact CD2-OD1 3.67Å; H264-D384 IonicContact NE2-OD1 3.44Å |
| 265 | K | 96.9 | Very high | 92.8 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 152.6 | 173.1 | -62.9 | 176.7 | -178.3 | 179.7 | 0 | 108.3 | T269 A270 | K265-T269 HydrophobicContact CB-CG2 4.36Å; K265-T269 HydrophobicContact CD-CG2 3.99Å; K265-T269 HydrophobicContact CG-CG2 4.49Å; K265-A270 HydrophobicContact CB-CB 4.32Å |
| 266 | S | 97.3 | Very high | 93.1 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -63 | 155.9 | 169.4 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | D268 T269 A270 | S266-D268 VanDerWaalsContact C-N 3.31Å; S266-D268 WeakPolarHBondContact CB-OD1 3.44Å; S266-D268 PolarHBondContact O-N 2.82Å; S266-D268 VanDerWaalsContact OG-CG 3.26Å; S266-D268 PolarHBondContact OG-OD1 2.95Å; S266-D268 PolarHBondContact OG-OD2 3.27Å; S266-T269 PolarHBondContact O-N 2.99Å; S266-T269 VanDerWaalsContact O-N 3.14Å; S266-T269 PolarHBondContact OG-OG1 3Å; S266-A270 WeakPolarHBondContact O-CB 3.35Å; S266-A270 PolarHBondContact O-N 3Å |
| 267 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.8 | -43.8 | -177.7 | 177.7 | 61.7 | 0 | 0 | 0 | 112.9 | Q132 L133 F146 F159 T269 A270 L271 W386 | Q132-L267 HydrophobicContact CB-CD2 3.75Å; L133-L267 HydrophobicContact CD2-CD2 4.17Å; L133-L267 HydrophobicContact CD2-CG 4.09Å; L133-L267 HydrophobicContact CG-CD2 4.43Å; F146-L267 HydrophobicContact CE1-CD2 4.16Å; F159-L267 HydrophobicContact CD1-CB 4.43Å; F159-L267 HydrophobicContact CD1-CD1 3.69Å; F159-L267 HydrophobicContact CD2-CD1 4.42Å; F159-L267 HydrophobicContact CE1-CB 3.74Å; F159-L267 HydrophobicContact CE1-CD1 3.75Å; F159-L267 HydrophobicContact CE1-CG 4.31Å; F159-L267 HydrophobicContact CE2-CD1 4.49Å; F159-L267 HydrophobicContact CG-CD1 4.02Å; F159-L267 HydrophobicContact CZ-CB 4.16Å; F159-L267 HydrophobicContact CZ-CD1 4.16Å; L267-T269 VanDerWaalsContact C-N 3.3Å; L267-T269 PolarHBondContact O-N 3.29Å; L267-A270 PolarHBondContact O-N 3.17Å; L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CD2 4.48Å; L267-L271 HydrophobicContact CD1-CG 4.07Å; L267-L271 HydrophobicContact CG-CD1 4.11Å; L267-L271 HydrophobicContact CG-CG 4.39Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.05Å; L267-W386 HydrophobicContact CD1-CH2 3.77Å; L267-W386 HydrophobicContact CD1-CZ2 3.57Å |
| 268 | D | 95.3 | Very high | 93.4 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59 | -41 | 179.8 | 58.1 | -76.8 | 0 | 0 | 0 | 112.3 | L133 S266 | L133-D268 HydrophobicContact CD2-CB 3.87Å; S266-D268 VanDerWaalsContact C-N 3.31Å; S266-D268 WeakPolarHBondContact CB-OD1 3.44Å; S266-D268 PolarHBondContact O-N 2.82Å; S266-D268 VanDerWaalsContact OG-CG 3.26Å; S266-D268 PolarHBondContact OG-OD1 2.95Å; S266-D268 PolarHBondContact OG-OD2 3.27Å |
| 269 | T | 95 | Very high | 93.4 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -75.7 | -41.1 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | K265 S266 L267 L271 L272 Q273 | K265-T269 HydrophobicContact CB-CG2 4.36Å; K265-T269 HydrophobicContact CD-CG2 3.99Å; K265-T269 HydrophobicContact CG-CG2 4.49Å; S266-T269 PolarHBondContact O-N 2.99Å; S266-T269 VanDerWaalsContact O-N 3.14Å; S266-T269 PolarHBondContact OG-OG1 3Å; L267-T269 VanDerWaalsContact C-N 3.3Å; L267-T269 PolarHBondContact O-N 3.29Å; T269-L271 VanDerWaalsContact C-N 3.27Å; T269-L271 PolarHBondContact O-N 2.78Å; T269-L272 PolarHBondContact O-N 2.94Å; T269-L272 VanDerWaalsContact O-N 3.17Å; T269-Q273 PolarHBondContact O-N 3.45Å |
| 270 | A | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.8 | -20.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F159 K265 S266 L267 Q273 P274 W386 | F159-A270 HydrophobicContact CD2-CB 4.5Å; F159-A270 HydrophobicContact CE2-CB 3.51Å; F159-A270 HydrophobicContact CZ-CB 3.92Å; K265-A270 HydrophobicContact CB-CB 4.32Å; S266-A270 WeakPolarHBondContact O-CB 3.35Å; S266-A270 PolarHBondContact O-N 3Å; L267-A270 PolarHBondContact O-N 3.17Å; A270-Q273 CarbonylContact O-C 3.57Å; A270-P274 WeakPolarHBondContact O-CA 3.46Å; A270-W386 PolarHBondContact O-NE1 3.36Å |
| 271 | L | 95.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.7 | -33.5 | 170.9 | -76.5 | 164.9 | 0 | 0 | 0 | 112.4 | L129 L133 L267 T269 H291 W386 | L129-L271 HydrophobicContact CD1-CD1 3.97Å; L133-L271 HydrophobicContact CD2-CD1 3.85Å; L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CD2 4.48Å; L267-L271 HydrophobicContact CD1-CG 4.07Å; L267-L271 HydrophobicContact CG-CD1 4.11Å; L267-L271 HydrophobicContact CG-CG 4.39Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.05Å; T269-L271 VanDerWaalsContact C-N 3.27Å; T269-L271 PolarHBondContact O-N 2.78Å; L271-H291 PolarHBondContact O-NE2 3.25Å; L271-W386 HydrophobicContact CD2-CH2 4.08Å; L271-W386 HydrophobicContact CD2-CZ2 3.88Å; L271-W386 HydrophobicContact CG-CZ2 4.29Å |
| 272 | L | 92.7 | Very high | 93.1 | Very high | 71 Ų | 71 | 53.9 Ų | 53.9 | 37% | 0.372 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -87.4 | -27.4 | 178.1 | -62.7 | 174.7 | 0 | 0 | 0 | 112.2 | T269 P274 K330 | T269-L272 PolarHBondContact O-N 2.94Å; T269-L272 VanDerWaalsContact O-N 3.17Å; L272-P274 VanDerWaalsContact C-CD 3.5Å; L272-K330 PolarHBondContact O-N 3.05Å |
| 273 | Q | 92.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -128.5 | 65.6 | -177.6 | -63.2 | 174.5 | 19.9 | 0 | 0 | 111 | T269 A270 H275 K330 | T269-Q273 PolarHBondContact O-N 3.45Å; A270-Q273 CarbonylContact O-C 3.57Å; Q273-H275 PolarHBondContact O-N 3.1Å; Q273-K330 HydrophobicContact CG-CB 3.9Å |
| 274 | P | 93.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | trans | -67.5 | 125 | -173.8 | 27.5 | -34.6 | 0 | 0 | 0 | 111.4 | A270 L272 V276 L329 | A270-P274 WeakPolarHBondContact O-CA 3.46Å; L272-P274 VanDerWaalsContact C-CD 3.5Å; P274-V276 HydrophobicContact CB-CG1 4.37Å; P274-L329 HydrophobicContact CG-CD1 4.16Å; P274-L329 HydrophobicContact CG-CD2 4.1Å | ||
| 275 | H | 94.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | trans | -96.4 | 113.4 | 164.2 | -162.3 | 47.2 | 0 | 0 | 0 | 109.3 | Q273 D384 Q385 W386 | Q273-H275 PolarHBondContact O-N 3.1Å; H275-D384 PolarHBondContact CD2-O 3.34Å; H275-D384 IonicContact CD2-OD1 3.72Å; H275-D384 IonicContact CD2-OD2 2.86Å; H275-Q385 PolarHBondContact O-N 3.38Å; H275-W386 PolarHBondContact O-N 2.99Å | ||
| 276 | V | 93.2 | Very high | 92.4 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.097 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -107.2 | 136.5 | -173.3 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | P274 A278 V284 A287 W386 Y388 | P274-V276 HydrophobicContact CB-CG1 4.37Å; V276-A278 PolarHBondContact O-N 2.76Å; V276-V284 HydrophobicContact CG2-CB 4.33Å; V276-V284 HydrophobicContact CG2-CG1 3.99Å; V276-V284 HydrophobicContact CG2-CG2 4.25Å; V276-A287 HydrophobicContact CB-CB 4.01Å; V276-A287 HydrophobicContact CG1-CB 4.03Å; V276-A287 HydrophobicContact CG2-CB 4.07Å; V276-W386 WeakPolarHBondContact CA-O 3.15Å; V276-W386 HydrophobicContact CG1-CB 4.16Å; V276-Y388 HydrophobicContact CG1-CD2 4.16Å; V276-Y388 HydrophobicContact CG1-CE2 4.24Å |
| 277 | V | 88.8 | Confident | 92.3 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | trans | -82 | 111 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | L383 D384 W386 N891 | V277-L383 HydrophobicContact CB-CD1 3.95Å; V277-L383 HydrophobicContact CG1-CD1 4.43Å; V277-L383 HydrophobicContact CG2-CD1 3.43Å; V277-L383 VanDerWaalsContact CG2-CD1 3.43Å; V277-L383 HydrophobicContact CG2-CG 4.18Å; V277-D384 WeakPolarHBondContact CG2-O 3.26Å; V277-W386 PolarHBondContact N-O 3.26Å; V277-N891 HydrophobicContact CG1-CB 4.21Å; V277-N891 WeakPolarHBondContact CG1-O 3.38Å | ||
| 278 | A | 87.6 | Confident | 92.3 | Very high | 30 Ų | 30 | 52.3 Ų | 52.3 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | trans | -151.2 | 153.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V276 E283 V284 | V276-A278 PolarHBondContact O-N 2.76Å; A278-E283 HydrophobicContact CB-CB 3.72Å; A278-V284 HydrophobicContact CB-CB 4.48Å; A278-V284 HydrophobicContact CB-CG2 3.65Å | ||
| 279 | Q | 84.7 | Confident | 92.3 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -97.5 | -12.6 | -176.2 | -56 | -56.7 | -42.3 | 0 | 0 | 113.4 | E283 Y892 | Q279-E283 WeakPolarHBondContact CA-OE2 3.43Å; Q279-E283 WeakPolarHBondContact CB-OE2 3.42Å; Q279-E283 PolarHBondContact N-OE2 3.43Å; Q279-Y892 HydrophobicContact CG-CD2 4.37Å; Q279-Y892 HydrophobicContact CG-CE2 3.98Å |
| 280 | S | 88.3 | Confident | 92.4 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 34% | 0.336 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -146.2 | 160.9 | -179.7 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | Q282 E283 V284 | S280-Q282 PolarHBondContact O-N 3.26Å; S280-E283 PolarHBondContact O-N 3.41Å; S280-E283 VanDerWaalsContact O-N 3.15Å; S280-E283 WeakPolarHBondContact OG-CG 3.28Å; S280-E283 PolarHBondContact OG-N 3Å; S280-V284 WeakPolarHBondContact O-CG2 3.38Å; S280-V284 PolarHBondContact O-N 3.12Å |
| 281 | S | 88.4 | Confident | 92.5 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.4 | -31.5 | 175.1 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | H285 | S281-H285 WeakPolarHBondContact O-CB 3.47Å; S281-H285 PolarHBondContact O-N 3.49Å |
| 282 | Q | 89.9 | Confident | 92.6 | Very high | 156 Ų | 156 | 47.4 Ų | 47.4 | 73% | 0.729 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -68.3 | -41.1 | 175.3 | -174.6 | 178.9 | 1.8 | 0 | 0 | 111.6 | S280 H285 R286 | S280-Q282 PolarHBondContact O-N 3.26Å; Q282-H285 PolarHBondContact O-N 3.01Å; Q282-R286 WeakPolarHBondContact O-CB 3.47Å; Q282-R286 PolarHBondContact O-N 2.97Å |
| 283 | E | 91.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 44 Ų | 44 | 35% | 0.346 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 175 | -74.6 | 174.2 | -165.4 | 0 | 0 | 111.8 | A278 Q279 S280 H285 R286 A287 | A278-E283 HydrophobicContact CB-CB 3.72Å; Q279-E283 WeakPolarHBondContact CA-OE2 3.43Å; Q279-E283 WeakPolarHBondContact CB-OE2 3.42Å; Q279-E283 PolarHBondContact N-OE2 3.43Å; S280-E283 PolarHBondContact O-N 3.41Å; S280-E283 VanDerWaalsContact O-N 3.15Å; S280-E283 WeakPolarHBondContact OG-CG 3.28Å; S280-E283 PolarHBondContact OG-N 3Å; E283-H285 VanDerWaalsContact C-N 3.32Å; E283-H285 PolarHBondContact O-N 3.46Å; E283-R286 PolarHBondContact O-N 3.41Å; E283-A287 VanDerWaalsContact O-CB 3.31Å; E283-A287 WeakPolarHBondContact O-CB 3.46Å; E283-A287 PolarHBondContact O-N 3.22Å |
| 284 | V | 92.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 43 Ų | 43 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 172.5 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | V276 A278 S280 R286 A287 H288 | V276-V284 HydrophobicContact CG2-CB 4.33Å; V276-V284 HydrophobicContact CG2-CG1 3.99Å; V276-V284 HydrophobicContact CG2-CG2 4.25Å; A278-V284 HydrophobicContact CB-CB 4.48Å; A278-V284 HydrophobicContact CB-CG2 3.65Å; S280-V284 WeakPolarHBondContact O-CG2 3.38Å; S280-V284 PolarHBondContact O-N 3.12Å; V284-R286 PolarHBondContact O-N 2.87Å; V284-A287 PolarHBondContact O-N 3.03Å; V284-H288 WeakPolarHBondContact CG1-CE1 3.49Å; V284-H288 PolarHBondContact O-N 3.16Å; V284-H288 PolarHBondContact O-ND1 3.48Å |
| 285 | H | 92.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 178.8 | -179.1 | 52.2 | 0 | 0 | 0 | 112.5 | S281 Q282 E283 A287 H288 C289 Q339 P340 | S281-H285 WeakPolarHBondContact O-CB 3.47Å; S281-H285 PolarHBondContact O-N 3.49Å; Q282-H285 PolarHBondContact O-N 3.01Å; E283-H285 VanDerWaalsContact C-N 3.32Å; E283-H285 PolarHBondContact O-N 3.46Å; H285-A287 VanDerWaalsContact C-N 3.33Å; H285-A287 PolarHBondContact O-N 3.36Å; H285-H288 PolarHBondContact O-N 2.88Å; H285-C289 PolarHBondContact O-N 3.23Å; H285-C289 PolarHBondContact O-SG 2.84Å; H285-C289 VanDerWaalsContact O-SG 3.36Å; H285-Q339 PolarHBondContact ND1-OE1 3.38Å; H285-P340 PolarHBondContact CE1-O 2.68Å; H285-P340 PolarHBondContact NE2-O 3.24Å |
| 286 | R | 94.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.2 | -172.1 | 175.1 | -174.8 | 82.1 | -3.5 | 111.6 | Q282 E283 V284 C289 L290 L345 D390 | Q282-R286 WeakPolarHBondContact O-CB 3.47Å; Q282-R286 PolarHBondContact O-N 2.97Å; E283-R286 PolarHBondContact O-N 3.41Å; V284-R286 PolarHBondContact O-N 2.87Å; R286-C289 PolarHBondContact O-N 2.92Å; R286-L290 HydrophobicContact CG-CD1 4.46Å; R286-L290 WeakPolarHBondContact O-CG 3.43Å; R286-L290 PolarHBondContact O-N 3.4Å; R286-L345 HydrophobicContact CG-CD2 4.15Å; R286-D390 IonicContact CZ-OD1 3.17Å; R286-D390 IonicContact CZ-OD2 2.81Å; R286-D390 IonicContact NE-OD1 3.32Å; R286-D390 IonicContact NE-OD2 2.86Å; R286-D390 PolarHBondContact NE-OD2 2.92Å; R286-D390 VanDerWaalsContact NH2-CG 3.32Å; R286-D390 IonicContact NH2-OD1 3.33Å; R286-D390 PolarHBondContact NH2-OD1 3.36Å; R286-D390 IonicContact NH2-OD2 3.8Å; R286-D390 PolarHBondContact NH2-OD2 2.87Å |
| 287 | A | 95.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V276 E283 V284 H285 L290 H291 Y388 | V276-A287 HydrophobicContact CB-CB 4.01Å; V276-A287 HydrophobicContact CG1-CB 4.03Å; V276-A287 HydrophobicContact CG2-CB 4.07Å; E283-A287 VanDerWaalsContact O-CB 3.31Å; E283-A287 WeakPolarHBondContact O-CB 3.46Å; E283-A287 PolarHBondContact O-N 3.22Å; V284-A287 PolarHBondContact O-N 3.03Å; H285-A287 VanDerWaalsContact C-N 3.33Å; H285-A287 PolarHBondContact O-N 3.36Å; A287-L290 PolarHBondContact O-N 3.01Å; A287-H291 WeakPolarHBondContact O-CB 3.44Å; A287-H291 PolarHBondContact O-N 3.32Å; A287-Y388 HydrophobicContact CB-CD2 4.1Å; A287-Y388 HydrophobicContact CB-CG 4.47Å |
| 288 | H | 95.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 173.6 | -67.1 | 157.2 | 0 | 0 | 0 | 112.9 | V284 H285 L290 H291 Q292 L329 L337 Q339 | V284-H288 WeakPolarHBondContact CG1-CE1 3.49Å; V284-H288 PolarHBondContact O-N 3.16Å; V284-H288 PolarHBondContact O-ND1 3.48Å; H285-H288 PolarHBondContact O-N 2.88Å; H288-L290 VanDerWaalsContact C-N 3.35Å; H288-H291 WeakPolarHBondContact O-CB 3.33Å; H288-H291 PolarHBondContact O-N 3.36Å; H288-Q292 WeakPolarHBondContact O-CG 3.33Å; H288-Q292 PolarHBondContact O-N 2.95Å; H288-L329 HydrophobicContact CB-CD1 3.83Å; H288-L337 WeakPolarHBondContact CE1-CD2 3.34Å; H288-L337 WeakPolarHBondContact ND1-CD2 3.17Å; H288-Q339 PolarHBondContact ND1-OE1 2.77Å |
| 289 | C | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 175 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | H285 R286 Q292 A293 D342 L345 | H285-C289 PolarHBondContact O-N 3.23Å; H285-C289 PolarHBondContact O-SG 2.84Å; H285-C289 VanDerWaalsContact O-SG 3.36Å; R286-C289 PolarHBondContact O-N 2.92Å; C289-Q292 PolarHBondContact O-N 2.89Å; C289-A293 WeakPolarHBondContact O-CB 2.98Å; C289-A293 PolarHBondContact O-N 2.84Å; C289-D342 HydrophobicContact CB-CB 4.38Å; C289-L345 HydrophobicContact CB-CD2 3.7Å |
| 290 | L | 97.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 173.2 | -70.5 | 172.8 | 0 | 0 | 0 | 111.5 | V155 R286 A287 H288 Q292 A293 F294 L345 V349 Y388 D390 | V155-L290 HydrophobicContact CB-CD2 4.42Å; V155-L290 HydrophobicContact CG1-CD2 3.82Å; R286-L290 HydrophobicContact CG-CD1 4.46Å; R286-L290 WeakPolarHBondContact O-CG 3.43Å; R286-L290 PolarHBondContact O-N 3.4Å; A287-L290 PolarHBondContact O-N 3.01Å; H288-L290 VanDerWaalsContact C-N 3.35Å; L290-Q292 PolarHBondContact O-N 2.96Å; L290-A293 WeakPolarHBondContact O-CB 3.35Å; L290-A293 PolarHBondContact O-N 2.88Å; L290-A293 VanDerWaalsContact O-N 3.12Å; L290-F294 WeakPolarHBondContact O-CD2 3.37Å; L290-F294 PolarHBondContact O-N 2.91Å; L290-L345 HydrophobicContact CD2-CD1 4.2Å; L290-L345 HydrophobicContact CD2-CD2 4.29Å; L290-L345 HydrophobicContact CD2-CG 4.38Å; L290-L345 HydrophobicContact CG-CD2 4.31Å; L290-V349 HydrophobicContact CD2-CG2 3.99Å; L290-Y388 HydrophobicContact CB-CD1 3.73Å; L290-Y388 HydrophobicContact CB-CE1 4.48Å; L290-Y388 HydrophobicContact CB-CG 4.03Å; L290-D390 HydrophobicContact CD1-CB 4.19Å |
| 291 | H | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.5 | -50.7 | 173.6 | 179.5 | 91 | 0 | 0 | 0 | 111.4 | L271 A287 H288 A293 F294 C295 Y388 | L271-H291 PolarHBondContact O-NE2 3.25Å; A287-H291 WeakPolarHBondContact O-CB 3.44Å; A287-H291 PolarHBondContact O-N 3.32Å; H288-H291 WeakPolarHBondContact O-CB 3.33Å; H288-H291 PolarHBondContact O-N 3.36Å; H291-A293 VanDerWaalsContact C-N 3.31Å; H291-A293 PolarHBondContact O-N 3.45Å; H291-F294 PolarHBondContact O-N 3.46Å; H291-C295 PolarHBondContact O-N 3.34Å; H291-C295 PolarHBondContact O-SG 3.5Å; H291-C295 VanDerWaalsContact O-SG 3.4Å; H291-Y388 VanDerWaalsContact CA-CZ 3.47Å; H291-Y388 HydrophobicContact CB-CE1 4.17Å; H291-Y388 HydrophobicContact CB-CE2 3.69Å; H291-Y388 AromaticContact CG-CZ 3.93Å; H291-Y388 AromaticContact ND1-CE2 3.86Å; H291-Y388 AromaticContact ND1-CZ 3.56Å; H291-Y388 PolarHBondContact ND1-OH 3.48Å |
| 292 | Q | 96.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 176.1 | -69.9 | 173.9 | -61.4 | 0 | 0 | 112.1 | H288 C289 L290 C295 A296 L326 L329 L341 | H288-Q292 WeakPolarHBondContact O-CG 3.33Å; H288-Q292 PolarHBondContact O-N 2.95Å; C289-Q292 PolarHBondContact O-N 2.89Å; L290-Q292 PolarHBondContact O-N 2.96Å; Q292-C295 PolarHBondContact O-N 2.86Å; Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 2.83Å; Q292-L326 HydrophobicContact CB-CD1 4.07Å; Q292-L326 HydrophobicContact CG-CD1 4.36Å; Q292-L326 WeakPolarHBondContact O-CD1 3.45Å; Q292-L329 HydrophobicContact CG-CD1 4.25Å; Q292-L329 HydrophobicContact CG-CG 4.48Å; Q292-L341 HydrophobicContact CB-CD1 4.04Å |
| 293 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C289 L290 H291 A296 L297 V346 V349 | C289-A293 WeakPolarHBondContact O-CB 2.98Å; C289-A293 PolarHBondContact O-N 2.84Å; L290-A293 WeakPolarHBondContact O-CB 3.35Å; L290-A293 PolarHBondContact O-N 2.88Å; L290-A293 VanDerWaalsContact O-N 3.12Å; H291-A293 VanDerWaalsContact C-N 3.31Å; H291-A293 PolarHBondContact O-N 3.45Å; A293-A296 PolarHBondContact O-N 3.03Å; A293-L297 VanDerWaalsContact O-CG 3.29Å; A293-L297 WeakPolarHBondContact O-CG 3.42Å; A293-L297 PolarHBondContact O-N 3.27Å; A293-V346 HydrophobicContact CB-CG1 4.38Å; A293-V346 HydrophobicContact CB-CG2 4.22Å; A293-V349 HydrophobicContact CB-CB 4.41Å; A293-V349 HydrophobicContact CB-CG1 4.1Å |
| 294 | F | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 176 | -88.2 | -86.7 | 0 | 0 | 0 | 112.1 | D150 R152 V155 Q157 L290 H291 A296 L297 H298 Y388 | D150-F294 HydrophobicContact CB-CE1 4.08Å; R152-F294 HydrophobicContact CB-CE1 4.43Å; R152-F294 HydrophobicContact CG-CD1 4.45Å; R152-F294 HydrophobicContact CG-CE1 3.75Å; R152-F294 HydrophobicContact CG-CZ 4.36Å; V155-F294 HydrophobicContact CB-CE2 4.12Å; V155-F294 HydrophobicContact CB-CZ 4.32Å; V155-F294 HydrophobicContact CG2-CE2 3.75Å; V155-F294 HydrophobicContact CG2-CZ 3.75Å; Q157-F294 HydrophobicContact CB-CD1 4.48Å; Q157-F294 HydrophobicContact CB-CD2 4.24Å; Q157-F294 HydrophobicContact CB-CE1 4.27Å; Q157-F294 HydrophobicContact CB-CE2 4.02Å; Q157-F294 HydrophobicContact CB-CG 4.47Å; Q157-F294 HydrophobicContact CB-CZ 4.04Å; Q157-F294 HydrophobicContact CG-CD1 3.81Å; Q157-F294 HydrophobicContact CG-CD2 4.42Å; Q157-F294 HydrophobicContact CG-CE1 3.68Å; Q157-F294 HydrophobicContact CG-CE2 4.32Å; Q157-F294 HydrophobicContact CG-CG 4.19Å; Q157-F294 HydrophobicContact CG-CZ 3.96Å; Q157-F294 VanDerWaalsContact OE1-CB 3.24Å; L290-F294 WeakPolarHBondContact O-CD2 3.37Å; L290-F294 PolarHBondContact O-N 2.91Å; H291-F294 PolarHBondContact O-N 3.46Å; F294-A296 VanDerWaalsContact C-N 3.33Å; F294-A296 PolarHBondContact O-N 3.26Å; F294-L297 PolarHBondContact O-N 3.43Å; F294-H298 PolarHBondContact O-N 2.75Å; F294-Y388 HydrophobicContact CD2-CD1 4.09Å; F294-Y388 AromaticContact CD2-CE1 3.77Å; F294-Y388 HydrophobicContact CD2-CE1 3.77Å; F294-Y388 HydrophobicContact CE2-CD1 4.22Å; F294-Y388 HydrophobicContact CE2-CE1 4.28Å; F294-Y388 HydrophobicContact CG-CE1 4.44Å |
| 295 | C | 97.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 14% | 0.142 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 173.8 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | H291 Q292 H298 K299 L326 | H291-C295 PolarHBondContact O-N 3.34Å; H291-C295 PolarHBondContact O-SG 3.5Å; H291-C295 VanDerWaalsContact O-SG 3.4Å; Q292-C295 PolarHBondContact O-N 2.86Å; C295-H298 PolarHBondContact O-N 2.75Å; C295-K299 WeakPolarHBondContact O-CB 3.07Å; C295-K299 PolarHBondContact O-N 2.98Å; C295-L326 HydrophobicContact CB-CD1 3.65Å; C295-L326 HydrophobicContact CB-CD2 4.29Å |
| 296 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q292 A293 F294 K299 F300 V319 L322 A323 | Q292-A296 WeakPolarHBondContact O-CB 3.47Å; Q292-A296 PolarHBondContact O-N 2.83Å; A293-A296 PolarHBondContact O-N 3.03Å; F294-A296 VanDerWaalsContact C-N 3.33Å; F294-A296 PolarHBondContact O-N 3.26Å; A296-K299 PolarHBondContact O-N 3.18Å; A296-F300 WeakPolarHBondContact O-CB 3.31Å; A296-F300 PolarHBondContact O-N 3.19Å; A296-V319 HydrophobicContact CB-CG1 3.88Å; A296-L322 HydrophobicContact CB-CB 4.17Å; A296-A323 HydrophobicContact CB-CB 3.77Å |
| 297 | L | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 173.8 | -73.2 | 173.6 | 0 | 0 | 0 | 112 | R152 A293 F294 F300 Q301 P308 V319 V349 | R152-L297 HydrophobicContact CB-CD1 4.4Å; R152-L297 HydrophobicContact CG-CD1 4.21Å; A293-L297 VanDerWaalsContact O-CG 3.29Å; A293-L297 WeakPolarHBondContact O-CG 3.42Å; A293-L297 PolarHBondContact O-N 3.27Å; F294-L297 PolarHBondContact O-N 3.43Å; L297-F300 PolarHBondContact O-N 3.22Å; L297-Q301 WeakPolarHBondContact O-CB 3.39Å; L297-Q301 PolarHBondContact O-N 3.49Å; L297-P308 HydrophobicContact CD2-CG 3.65Å; L297-V319 HydrophobicContact CD2-CG1 4.22Å; L297-V319 HydrophobicContact CD2-CG2 4.23Å; L297-V349 HydrophobicContact CD1-CG1 4.04Å |
| 298 | H | 97.4 | Very high | 97 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 173.8 | -73 | 167 | 0 | 0 | 0 | 111.7 | L129 F294 C295 F300 Q301 H302 | L129-H298 HydrophobicContact CB-CB 4Å; L129-H298 HydrophobicContact CD2-CB 4.07Å; F294-H298 PolarHBondContact O-N 2.75Å; C295-H298 PolarHBondContact O-N 2.75Å; H298-F300 VanDerWaalsContact C-N 3.34Å; H298-F300 PolarHBondContact O-N 2.78Å; H298-Q301 PolarHBondContact O-N 2.67Å; H298-H302 WeakPolarHBondContact O-CB 3.29Å; H298-H302 PolarHBondContact O-N 3.04Å |
| 299 | K | 97.8 | Very high | 97 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.2 | -168.3 | 174.3 | 176.9 | -173.3 | 0 | 111.9 | C295 A296 H302 L303 L322 L326 | C295-K299 WeakPolarHBondContact O-CB 3.07Å; C295-K299 PolarHBondContact O-N 2.98Å; A296-K299 PolarHBondContact O-N 3.18Å; K299-H302 PolarHBondContact O-N 2.88Å; K299-L303 HydrophobicContact CG-CD1 4.2Å; K299-L303 VanDerWaalsContact O-CG 3.32Å; K299-L303 WeakPolarHBondContact O-CG 3.43Å; K299-L303 PolarHBondContact O-N 3.4Å; K299-L322 HydrophobicContact CD-CB 4.42Å; K299-L322 HydrophobicContact CD-CD2 3.87Å; K299-L322 HydrophobicContact CG-CD2 4.08Å; K299-L326 HydrophobicContact CD-CD2 4.37Å |
| 300 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -50 | 174.1 | -177.3 | -81.4 | 0 | 0 | 0 | 111 | A296 L297 H298 H302 L303 H304 R306 P308 D315 T318 V319 L322 | A296-F300 WeakPolarHBondContact O-CB 3.31Å; A296-F300 PolarHBondContact O-N 3.19Å; L297-F300 PolarHBondContact O-N 3.22Å; H298-F300 VanDerWaalsContact C-N 3.34Å; H298-F300 PolarHBondContact O-N 2.78Å; F300-H302 VanDerWaalsContact C-N 3.27Å; F300-H302 PolarHBondContact O-N 3.42Å; F300-L303 PolarHBondContact O-N 3.35Å; F300-H304 HydrophobicContact CD1-CB 4.37Å; F300-H304 AromaticContact CD2-CD2 3.62Å; F300-H304 HydrophobicContact CE1-CB 3.98Å; F300-H304 AromaticContact CE2-CD2 3.56Å; F300-H304 AromaticContact CE2-NE2 3.85Å; F300-H304 AromaticContact CG-CD2 3.92Å; F300-H304 HydrophobicContact CZ-CB 4.23Å; F300-H304 AromaticContact CZ-CD2 3.8Å; F300-H304 AromaticContact CZ-CG 3.95Å; F300-H304 WeakPolarHBondContact O-CB 3.49Å; F300-H304 PolarHBondContact O-CD2 2.84Å; F300-H304 PolarHBondContact O-N 2.76Å; F300-R306 WeakPolarHBondContact CD1-O 3.49Å; F300-R306 WeakPolarHBondContact CE1-O 3.5Å; F300-P308 HydrophobicContact CD1-CG 3.81Å; F300-P308 HydrophobicContact CE1-CB 4.39Å; F300-P308 HydrophobicContact CE1-CG 3.97Å; F300-P308 HydrophobicContact CG-CG 4.19Å; F300-P308 HydrophobicContact CZ-CG 4.45Å; F300-D315 HydrophobicContact CE2-CB 4.18Å; F300-D315 HydrophobicContact CZ-CB 4.04Å; F300-T318 HydrophobicContact CD2-CG2 3.98Å; F300-T318 HydrophobicContact CE2-CG2 3.97Å; F300-V319 HydrophobicContact CB-CG2 4.08Å; F300-V319 HydrophobicContact CD2-CG2 3.73Å; F300-V319 HydrophobicContact CE2-CG2 4.43Å; F300-V319 HydrophobicContact CG-CG2 3.99Å; F300-L322 HydrophobicContact CB-CD1 3.75Å; F300-L322 HydrophobicContact CD2-CD1 4.16Å; F300-L322 HydrophobicContact CG-CD1 4.46Å |
| 301 | Q | 96.8 | Very high | 96.8 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | -179.8 | -174.8 | 173.3 | -7.1 | 0 | 0 | 112.2 | L297 H298 G305 R306 | L297-Q301 WeakPolarHBondContact O-CB 3.39Å; L297-Q301 PolarHBondContact O-N 3.49Å; H298-Q301 PolarHBondContact O-N 2.67Å; Q301-G305 VanDerWaalsContact O-CA 3.28Å; Q301-G305 WeakPolarHBondContact O-CA 3.43Å; Q301-G305 PolarHBondContact O-N 3.44Å; Q301-R306 WeakPolarHBondContact CA-O 3.32Å |
| 302 | H | 96.4 | Very high | 96.8 | Very high | 123 Ų | 123 | 42.7 Ų | 42.7 | 57% | 0.569 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.1 | -49.2 | 173.4 | -179.5 | 88.4 | 0 | 0 | 0 | 112.1 | E130 H298 K299 F300 | E130-H302 IonicContact OE1-CE1 2.85Å; E130-H302 IonicContact OE1-CG 3.8Å; E130-H302 IonicContact OE1-ND1 3.82Å; E130-H302 PolarHBondContact OE1-ND1 2.87Å; H298-H302 WeakPolarHBondContact O-CB 3.29Å; H298-H302 PolarHBondContact O-N 3.04Å; K299-H302 PolarHBondContact O-N 2.88Å; F300-H302 VanDerWaalsContact C-N 3.27Å; F300-H302 PolarHBondContact O-N 3.42Å |
| 303 | L | 97.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 45 Ų | 45 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.5 | -37.2 | -175.4 | -69 | 172.4 | 0 | 0 | 0 | 113.5 | K299 F300 L322 | K299-L303 HydrophobicContact CG-CD1 4.2Å; K299-L303 VanDerWaalsContact O-CG 3.32Å; K299-L303 WeakPolarHBondContact O-CG 3.43Å; K299-L303 PolarHBondContact O-N 3.4Å; F300-L303 PolarHBondContact O-N 3.35Å; L303-L322 HydrophobicContact CD1-CD1 4.43Å; L303-L322 HydrophobicContact CD1-CD2 3.79Å |
| 304 | H | 96.7 | Very high | 96.7 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.44 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -103.1 | -9.9 | -173.2 | -66.3 | -82.9 | 0 | 0 | 0 | 113.9 | F300 R306 | F300-H304 HydrophobicContact CD1-CB 4.37Å; F300-H304 AromaticContact CD2-CD2 3.62Å; F300-H304 HydrophobicContact CE1-CB 3.98Å; F300-H304 AromaticContact CE2-CD2 3.56Å; F300-H304 AromaticContact CE2-NE2 3.85Å; F300-H304 AromaticContact CG-CD2 3.92Å; F300-H304 HydrophobicContact CZ-CB 4.23Å; F300-H304 AromaticContact CZ-CD2 3.8Å; F300-H304 AromaticContact CZ-CG 3.95Å; F300-H304 WeakPolarHBondContact O-CB 3.49Å; F300-H304 PolarHBondContact O-CD2 2.84Å; F300-H304 PolarHBondContact O-N 2.76Å; H304-R306 HydrophobicContact CB-CG 4.3Å; H304-R306 PolarHBondContact O-N 3.16Å |
| 305 | G | 95.3 | Very high | 96.7 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 72% | 0.722 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 69.7 | 9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q301 | Q301-G305 VanDerWaalsContact O-CA 3.28Å; Q301-G305 WeakPolarHBondContact O-CA 3.43Å; Q301-G305 PolarHBondContact O-N 3.44Å |
| 306 | R | 94.7 | Very high | 96.7 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -148.4 | 157 | 179.9 | 63.3 | 166.8 | -176.4 | 78.5 | -1.9 | 110.9 | F300 Q301 H304 D315 | F300-R306 WeakPolarHBondContact CD1-O 3.49Å; F300-R306 WeakPolarHBondContact CE1-O 3.5Å; Q301-R306 WeakPolarHBondContact CA-O 3.32Å; H304-R306 HydrophobicContact CB-CG 4.3Å; H304-R306 PolarHBondContact O-N 3.16Å; R306-D315 IonicContact CZ-OD1 3.27Å; R306-D315 IonicContact CZ-OD2 3.4Å; R306-D315 VanDerWaalsContact CZ-OD2 3.27Å; R306-D315 IonicContact NH1-OD1 2.67Å; R306-D315 IonicContact NH1-OD2 3.84Å; R306-D315 PolarHBondContact NH1-OD2 3.44Å; R306-D315 VanDerWaalsContact NH2-CG 3.32Å; R306-D315 IonicContact NH2-OD1 2.95Å; R306-D315 PolarHBondContact NH2-OD1 3.15Å; R306-D315 IonicContact NH2-OD2 3.29Å; R306-D315 PolarHBondContact NH2-OD2 3.04Å |
| 307 | P | 94.5 | Very high | 96.7 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 163.6 | 166.1 | 30.7 | -35.6 | 0 | 0 | 0 | 111.5 | ||
| 308 | P | 96.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 142.2 | 168.7 | -26.5 | 36.6 | 0 | 0 | 0 | 111.8 | L297 F300 D315 V319 | L297-P308 HydrophobicContact CD2-CG 3.65Å; F300-P308 HydrophobicContact CD1-CG 3.81Å; F300-P308 HydrophobicContact CE1-CB 4.39Å; F300-P308 HydrophobicContact CE1-CG 3.97Å; F300-P308 HydrophobicContact CG-CG 4.19Å; F300-P308 HydrophobicContact CZ-CG 4.45Å; P308-D315 HydrophobicContact CB-CB 4.1Å; P308-V319 HydrophobicContact CG-CG2 3.86Å |
| 309 | Q | 96.1 | Very high | 96.8 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 141.6 | 173.5 | -69.3 | -62.3 | -27 | 0 | 0 | 110.3 | W311 D312 D315 | Q309-W311 PolarHBondContact O-N 3.35Å; Q309-D312 HydrophobicContact CB-CB 3.78Å; Q309-D312 PolarHBondContact O-N 2.9Å; Q309-D315 PolarHBondContact N-OD2 3.13Å |
| 310 | P | 95.8 | Very high | 96.8 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 16% | 0.156 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 126.1 | 177.3 | -25.7 | 34.7 | 0 | 0 | 0 | 112.2 | D312 C408 A420 | P310-D312 PolarHBondContact O-N 3.47Å; P310-D312 VanDerWaalsContact O-N 3.11Å; P310-C408 HydrophobicContact CB-CB 4.06Å; P310-A420 HydrophobicContact CB-CB 4.13Å; P310-A420 HydrophobicContact CG-CB 3.81Å |
| 311 | W | 95.6 | Very high | 96.8 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 16.7 | 177 | -61.9 | 83.7 | 0 | 0 | 0 | 115.7 | Q309 P313 L351 L395 L402 P403 P405 C408 A420 V421 | Q309-W311 PolarHBondContact O-N 3.35Å; W311-P313 WeakPolarHBondContact O-CD 3.4Å; W311-L351 HydrophobicContact CE3-CB 4.23Å; W311-L351 PolarHBondContact N-O 3.04Å; W311-L395 HydrophobicContact CH2-CD1 4.46Å; W311-L395 HydrophobicContact CH2-CD2 4.1Å; W311-L395 HydrophobicContact CZ2-CD2 3.99Å; W311-L402 HydrophobicContact CE3-CB 4.33Å; W311-L402 HydrophobicContact CH2-CB 4.17Å; W311-L402 HydrophobicContact CH2-CD2 3.92Å; W311-L402 HydrophobicContact CH2-CG 4.46Å; W311-L402 HydrophobicContact CZ3-CB 3.66Å; W311-L402 HydrophobicContact CZ3-CD1 4.02Å; W311-L402 HydrophobicContact CZ3-CD2 4.05Å; W311-L402 HydrophobicContact CZ3-CG 4.1Å; W311-P403 HydrophobicContact CD2-CB 4.19Å; W311-P403 HydrophobicContact CH2-CG 4.33Å; W311-P403 HydrophobicContact CZ2-CB 4.27Å; W311-P403 HydrophobicContact CZ2-CG 3.78Å; W311-P405 HydrophobicContact CB-CG 4.3Å; W311-P405 WeakPolarHBondContact O-CG 3.43Å; W311-C408 PolarHBondContact NE1-SG 2.96Å; W311-C408 VanDerWaalsContact NE1-SG 3.43Å; W311-A420 PolarHBondContact NE1-O 2.84Å; W311-V421 VanDerWaalsContact CZ2-O 3.28Å; W311-V421 WeakPolarHBondContact CZ2-O 3.36Å; W311-V421 PolarHBondContact NE1-O 3.27Å |
| 312 | D | 96.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | trans | -78.4 | 119.9 | 176.3 | -175.6 | -87.6 | 0 | 0 | 0 | 111.3 | Q309 P310 V314 D315 A316 | Q309-D312 HydrophobicContact CB-CB 3.78Å; Q309-D312 PolarHBondContact O-N 2.9Å; P310-D312 PolarHBondContact O-N 3.47Å; P310-D312 VanDerWaalsContact O-N 3.11Å; D312-V314 VanDerWaalsContact C-N 3.33Å; D312-V314 PolarHBondContact O-N 2.85Å; D312-V314 WeakPolarHBondContact OD1-CA 3.25Å; D312-V314 WeakPolarHBondContact OD1-CB 3.24Å; D312-V314 PolarHBondContact OD1-N 3.25Å; D312-D315 HydrophobicContact CB-CB 4.24Å; D312-D315 PolarHBondContact OD1-N 3.13Å; D312-A316 WeakPolarHBondContact O-CB 3.44Å; D312-A316 PolarHBondContact O-N 3.39Å; D312-A316 VanDerWaalsContact O-N 3.11Å | ||
| 313 | P | 95.3 | Very high | 96.9 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.8 | -28.1 | -176.2 | 27.6 | -34.2 | 0 | 0 | 0 | 113 | W311 E317 | W311-P313 WeakPolarHBondContact O-CD 3.4Å; P313-E317 WeakPolarHBondContact O-CG 3.48Å; P313-E317 PolarHBondContact O-N 3.28Å |
| 314 | V | 97.7 | Very high | 96.8 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -73.9 | -47 | -177.2 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | D312 A316 E317 T318 | D312-V314 VanDerWaalsContact C-N 3.33Å; D312-V314 PolarHBondContact O-N 2.85Å; D312-V314 WeakPolarHBondContact OD1-CA 3.25Å; D312-V314 WeakPolarHBondContact OD1-CB 3.24Å; D312-V314 PolarHBondContact OD1-N 3.25Å; V314-A316 VanDerWaalsContact C-N 3.28Å; V314-A316 PolarHBondContact O-N 3.24Å; V314-E317 PolarHBondContact O-N 2.85Å; V314-T318 WeakPolarHBondContact O-CB 3.46Å; V314-T318 PolarHBondContact O-N 2.82Å; V314-T318 PolarHBondContact O-OG1 3Å |
| 315 | D | 98.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 173.2 | -76 | -7 | 0 | 0 | 0 | 110.6 | F300 R306 P308 Q309 D312 T318 V319 | F300-D315 HydrophobicContact CE2-CB 4.18Å; F300-D315 HydrophobicContact CZ-CB 4.04Å; R306-D315 IonicContact CZ-OD1 3.27Å; R306-D315 IonicContact CZ-OD2 3.4Å; R306-D315 VanDerWaalsContact CZ-OD2 3.27Å; R306-D315 IonicContact NH1-OD1 2.67Å; R306-D315 IonicContact NH1-OD2 3.84Å; R306-D315 PolarHBondContact NH1-OD2 3.44Å; R306-D315 VanDerWaalsContact NH2-CG 3.32Å; R306-D315 IonicContact NH2-OD1 2.95Å; R306-D315 PolarHBondContact NH2-OD1 3.15Å; R306-D315 IonicContact NH2-OD2 3.29Å; R306-D315 PolarHBondContact NH2-OD2 3.04Å; P308-D315 HydrophobicContact CB-CB 4.1Å; Q309-D315 PolarHBondContact N-OD2 3.13Å; D312-D315 HydrophobicContact CB-CB 4.24Å; D312-D315 PolarHBondContact OD1-N 3.13Å; D315-T318 WeakPolarHBondContact O-CB 3.2Å; D315-T318 PolarHBondContact O-N 2.83Å; D315-V319 WeakPolarHBondContact O-CG2 3.49Å; D315-V319 PolarHBondContact O-N 2.8Å |
| 316 | A | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D312 V314 T318 V319 V320 R347 A350 L351 | D312-A316 WeakPolarHBondContact O-CB 3.44Å; D312-A316 PolarHBondContact O-N 3.39Å; D312-A316 VanDerWaalsContact O-N 3.11Å; V314-A316 VanDerWaalsContact C-N 3.28Å; V314-A316 PolarHBondContact O-N 3.24Å; A316-T318 VanDerWaalsContact C-N 3.27Å; A316-T318 PolarHBondContact O-N 3.26Å; A316-V319 PolarHBondContact O-N 3.23Å; A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 3.28Å; A316-R347 HydrophobicContact CB-CG 4.32Å; A316-A350 HydrophobicContact CB-CB 3.99Å; A316-L351 HydrophobicContact CB-CD2 3.69Å; A316-L351 HydrophobicContact CB-CG 3.78Å |
| 317 | E | 98.4 | Very high | 96.3 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -33.4 | 174.4 | -67.4 | -49.4 | 143.4 | 0 | 0 | 112.1 | P313 V314 V319 V320 G321 R347 | P313-E317 WeakPolarHBondContact O-CG 3.48Å; P313-E317 PolarHBondContact O-N 3.28Å; V314-E317 PolarHBondContact O-N 2.85Å; E317-V319 VanDerWaalsContact C-N 3.34Å; E317-V319 PolarHBondContact O-N 3.04Å; E317-V320 PolarHBondContact O-N 3.12Å; E317-G321 PolarHBondContact O-N 3.36Å; E317-R347 IonicContact OE1-CZ 2.83Å; E317-R347 IonicContact OE1-NE 2.87Å; E317-R347 PolarHBondContact OE1-NE 3.02Å; E317-R347 IonicContact OE1-NH2 3.6Å; E317-R347 PolarHBondContact OE1-NH2 3.5Å; E317-R347 IonicContact OE2-CZ 2.65Å; E317-R347 IonicContact OE2-NE 2.72Å; E317-R347 IonicContact OE2-NH2 3.62Å; E317-R347 PolarHBondContact OE2-NH2 3.31Å |
| 318 | T | 98.6 | Very high | 95.8 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 31% | 0.307 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | F300 V314 D315 A316 G321 L322 | F300-T318 HydrophobicContact CD2-CG2 3.98Å; F300-T318 HydrophobicContact CE2-CG2 3.97Å; V314-T318 WeakPolarHBondContact O-CB 3.46Å; V314-T318 PolarHBondContact O-N 2.82Å; V314-T318 PolarHBondContact O-OG1 3Å; D315-T318 WeakPolarHBondContact O-CB 3.2Å; D315-T318 PolarHBondContact O-N 2.83Å; A316-T318 VanDerWaalsContact C-N 3.27Å; A316-T318 PolarHBondContact O-N 3.26Å; T318-G321 PolarHBondContact O-N 3.26Å; T318-L322 HydrophobicContact CG2-CD1 4.37Å; T318-L322 VanDerWaalsContact O-CG 3.29Å; T318-L322 WeakPolarHBondContact O-CG 3.47Å; T318-L322 PolarHBondContact O-N 3.28Å |
| 319 | V | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | A296 L297 F300 P308 D315 A316 E317 L322 A323 V346 A350 | A296-V319 HydrophobicContact CB-CG1 3.88Å; L297-V319 HydrophobicContact CD2-CG1 4.22Å; L297-V319 HydrophobicContact CD2-CG2 4.23Å; F300-V319 HydrophobicContact CB-CG2 4.08Å; F300-V319 HydrophobicContact CD2-CG2 3.73Å; F300-V319 HydrophobicContact CE2-CG2 4.43Å; F300-V319 HydrophobicContact CG-CG2 3.99Å; P308-V319 HydrophobicContact CG-CG2 3.86Å; D315-V319 WeakPolarHBondContact O-CG2 3.49Å; D315-V319 PolarHBondContact O-N 2.8Å; A316-V319 PolarHBondContact O-N 3.23Å; E317-V319 VanDerWaalsContact C-N 3.34Å; E317-V319 PolarHBondContact O-N 3.04Å; V319-L322 PolarHBondContact O-N 2.83Å; V319-A323 PolarHBondContact O-N 3.47Å; V319-V346 HydrophobicContact CG1-CG1 4.07Å; V319-A350 HydrophobicContact CB-CB 3.78Å; V319-A350 HydrophobicContact CG1-CB 3.91Å; V319-A350 HydrophobicContact CG2-CB 4.05Å |
| 320 | V | 98.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | A316 E317 L322 A323 Q324 E343 V346 R347 | A316-V320 WeakPolarHBondContact O-CG2 3.32Å; A316-V320 PolarHBondContact O-N 3.28Å; E317-V320 PolarHBondContact O-N 3.12Å; V320-L322 VanDerWaalsContact C-N 3.33Å; V320-L322 PolarHBondContact O-N 2.87Å; V320-A323 WeakPolarHBondContact O-CB 3.49Å; V320-A323 PolarHBondContact O-N 3Å; V320-A323 VanDerWaalsContact O-N 3.13Å; V320-Q324 WeakPolarHBondContact O-CG 3.35Å; V320-Q324 PolarHBondContact O-N 2.59Å; V320-E343 HydrophobicContact CG1-CB 4.05Å; V320-E343 HydrophobicContact CG1-CG 3.98Å; V320-V346 HydrophobicContact CG2-CB 4.28Å; V320-V346 HydrophobicContact CG2-CG1 4.01Å; V320-R347 HydrophobicContact CG2-CB 3.83Å |
| 321 | G | 98.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E317 T318 A323 Q324 D325 | E317-G321 PolarHBondContact O-N 3.36Å; T318-G321 PolarHBondContact O-N 3.26Å; G321-A323 VanDerWaalsContact C-N 3.29Å; G321-A323 PolarHBondContact O-N 2.77Å; G321-Q324 WeakPolarHBondContact O-CB 3.24Å; G321-Q324 PolarHBondContact O-N 3.42Å; G321-D325 PolarHBondContact O-N 3.31Å |
| 322 | L | 98.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 175.8 | -70.5 | 173.7 | 0 | 0 | 0 | 112.9 | A296 K299 F300 L303 T318 V319 V320 D325 L326 | A296-L322 HydrophobicContact CB-CB 4.17Å; K299-L322 HydrophobicContact CD-CB 4.42Å; K299-L322 HydrophobicContact CD-CD2 3.87Å; K299-L322 HydrophobicContact CG-CD2 4.08Å; F300-L322 HydrophobicContact CB-CD1 3.75Å; F300-L322 HydrophobicContact CD2-CD1 4.16Å; F300-L322 HydrophobicContact CG-CD1 4.46Å; L303-L322 HydrophobicContact CD1-CD1 4.43Å; L303-L322 HydrophobicContact CD1-CD2 3.79Å; T318-L322 HydrophobicContact CG2-CD1 4.37Å; T318-L322 VanDerWaalsContact O-CG 3.29Å; T318-L322 WeakPolarHBondContact O-CG 3.47Å; T318-L322 PolarHBondContact O-N 3.28Å; V319-L322 PolarHBondContact O-N 2.83Å; V320-L322 VanDerWaalsContact C-N 3.33Å; V320-L322 PolarHBondContact O-N 2.87Å; L322-D325 PolarHBondContact O-N 3.02Å; L322-L326 WeakPolarHBondContact O-CG 3.5Å; L322-L326 PolarHBondContact O-N 2.74Å |
| 323 | A | 97.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A296 V319 V320 G321 D325 L326 L341 V346 | A296-A323 HydrophobicContact CB-CB 3.77Å; V319-A323 PolarHBondContact O-N 3.47Å; V320-A323 WeakPolarHBondContact O-CB 3.49Å; V320-A323 PolarHBondContact O-N 3Å; V320-A323 VanDerWaalsContact O-N 3.13Å; G321-A323 VanDerWaalsContact C-N 3.29Å; G321-A323 PolarHBondContact O-N 2.77Å; A323-D325 VanDerWaalsContact C-N 3.28Å; A323-D325 PolarHBondContact O-N 3.07Å; A323-L326 WeakPolarHBondContact O-CB 3.37Å; A323-L326 PolarHBondContact O-N 2.74Å; A323-L341 HydrophobicContact CB-CD2 3.84Å; A323-V346 HydrophobicContact CB-CG1 4.01Å; A323-V346 HydrophobicContact CB-CG2 4.46Å |
| 324 | Q | 95.5 | Very high | 87.9 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 172.9 | -68.9 | 168.8 | -23.9 | 0 | 0 | 111.8 | V320 G321 L326 L341 E343 | V320-Q324 WeakPolarHBondContact O-CG 3.35Å; V320-Q324 PolarHBondContact O-N 2.59Å; G321-Q324 WeakPolarHBondContact O-CB 3.24Å; G321-Q324 PolarHBondContact O-N 3.42Å; Q324-L326 VanDerWaalsContact C-N 3.28Å; Q324-L326 PolarHBondContact O-N 3.2Å; Q324-L341 HydrophobicContact CG-CD2 4.08Å; Q324-E343 VanDerWaalsContact NE2-CD 3.3Å; Q324-E343 PolarHBondContact NE2-OE1 2.85Å |
| 325 | D | 95.3 | Very high | 86.3 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 3.4 | 179.7 | -70.7 | -16.9 | 0 | 0 | 0 | 114.1 | G321 L322 A323 | G321-D325 PolarHBondContact O-N 3.31Å; L322-D325 PolarHBondContact O-N 3.02Å; A323-D325 VanDerWaalsContact C-N 3.28Å; A323-D325 PolarHBondContact O-N 3.07Å |
| 326 | L | 92.6 | Very high | 84.9 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -72.3 | 152 | 175.9 | -70 | 175.5 | 0 | 0 | 0 | 111.1 | Q292 C295 K299 L322 A323 Q324 | Q292-L326 HydrophobicContact CB-CD1 4.07Å; Q292-L326 HydrophobicContact CG-CD1 4.36Å; Q292-L326 WeakPolarHBondContact O-CD1 3.45Å; C295-L326 HydrophobicContact CB-CD1 3.65Å; C295-L326 HydrophobicContact CB-CD2 4.29Å; K299-L326 HydrophobicContact CD-CD2 4.37Å; L322-L326 WeakPolarHBondContact O-CG 3.5Å; L322-L326 PolarHBondContact O-N 2.74Å; A323-L326 WeakPolarHBondContact O-CB 3.37Å; A323-L326 PolarHBondContact O-N 2.74Å; Q324-L326 VanDerWaalsContact C-N 3.28Å; Q324-L326 PolarHBondContact O-N 3.2Å |
| 327 | E | 86.9 | Confident | 83.9 | Confident | 128 Ų | 128 | 74.6 Ų | 74.6 | 60% | 0.598 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -59 | 140 | 170.7 | -66 | -172.1 | -175.2 | 0 | 0 | 110.2 | L329 | E327-L329 PolarHBondContact O-N 2.89Š|
| 328 | P | 84 | Confident | 82.3 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 133.9 | 175.9 | -24.2 | 33.5 | 0 | 0 | 0 | 111.2 | P336 | P328-P336 HydrophobicContact CB-CB 4.47Š|
| 329 | L | 87 | Confident | 81.2 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 151.9 | 171.8 | -59.8 | -179.6 | 0 | 0 | 0 | 110.1 | P274 H288 Q292 E327 L337 | P274-L329 HydrophobicContact CG-CD1 4.16Å; P274-L329 HydrophobicContact CG-CD2 4.1Å; H288-L329 HydrophobicContact CB-CD1 3.83Å; Q292-L329 HydrophobicContact CG-CD1 4.25Å; Q292-L329 HydrophobicContact CG-CG 4.48Å; E327-L329 PolarHBondContact O-N 2.89Å; L329-L337 HydrophobicContact CB-CB 4.2Å; L329-L337 WeakPolarHBondContact O-CB 3.48Å; L329-L337 PolarHBondContact O-N 2.98Å |
| 330 | K | 82.1 | Confident | 80.7 | Confident | 77 Ų | 77 | 85 Ų | 85 | 34% | 0.335 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.5 | -175.3 | -64.2 | -179.1 | -174.4 | 178 | 0 | 111.8 | L272 Q273 T332 E335 | L272-K330 PolarHBondContact O-N 3.05Å; Q273-K330 HydrophobicContact CG-CB 3.9Å; K330-T332 WeakPolarHBondContact CB-O 3.47Å; K330-E335 WeakPolarHBondContact CA-O 3.34Å |
| 331 | W | 63 | Low | 80.4 | Confident | 174 Ų | 174 | 86.8 Ų | 86.8 | 66% | 0.659 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -43.2 | 172.6 | -177 | -108.6 | 0 | 0 | 0 | 111.4 | E335 L337 | W331-E335 PolarHBondContact N-O 2.92Å; W331-L337 HydrophobicContact CE3-CD1 4.34Å |
| 332 | T | 61.7 | Low | 80.3 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 173.8 | 172.5 | 59.7 | 0 | 0 | 0 | 0 | 108.5 | K330 E334 E335 | K330-T332 WeakPolarHBondContact CB-O 3.47Å; T332-E334 PolarHBondContact O-N 3.05Å; T332-E335 PolarHBondContact O-N 3.25Å |
| 333 | E | 60 | Low | 80.2 | Confident | 156 Ų | 156 | 91.5 Ų | 91.5 | 73% | 0.729 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24.3 | -179.8 | -71.1 | -173.3 | 163.2 | 0 | 0 | 114.1 | ||
| 334 | E | 56.8 | Low | 80.2 | Confident | 180 Ų | 180 | 94.1 Ų | 94.1 | 84% | 0.841 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -13.1 | -171.7 | -59.3 | -175.3 | 164.9 | 0 | 0 | 114.5 | T332 | T332-E334 PolarHBondContact O-N 3.05Š|
| 335 | E | 63.6 | Low | 80.2 | Confident | 115 Ų | 115 | 89.5 Ų | 89.5 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.4 | -172.5 | -69.1 | -177.1 | 160.8 | 0 | 0 | 113.4 | K330 W331 T332 | K330-E335 WeakPolarHBondContact CA-O 3.34Å; W331-E335 PolarHBondContact N-O 2.92Å; T332-E335 PolarHBondContact O-N 3.25Å |
| 336 | P | 69.7 | Low | 80.4 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 147.9 | 174.5 | 30.6 | -33 | 0 | 0 | 0 | 111.7 | P328 E338 | P328-P336 HydrophobicContact CB-CB 4.47Å; P336-E338 PolarHBondContact O-N 3.11Å |
| 337 | L | 74.9 | Confident | 80.6 | Confident | 40 Ų | 40 | 84.7 Ų | 84.7 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | trans | -86 | 104.9 | 173.8 | -162.5 | 84 | 0 | 0 | 0 | 109.6 | H288 L329 W331 Q339 | H288-L337 WeakPolarHBondContact CE1-CD2 3.34Å; H288-L337 WeakPolarHBondContact ND1-CD2 3.17Å; L329-L337 HydrophobicContact CB-CB 4.2Å; L329-L337 WeakPolarHBondContact O-CB 3.48Å; L329-L337 PolarHBondContact O-N 2.98Å; W331-L337 HydrophobicContact CE3-CD1 4.34Å; L337-Q339 HydrophobicContact CD2-CB 4.49Å; L337-Q339 HydrophobicContact CD2-CG 4.16Å; L337-Q339 HydrophobicContact CG-CG 4.23Å; L337-Q339 PolarHBondContact O-N 3.34Å | ||
| 338 | E | 66.2 | Low | 81 | Confident | 190 Ų | 190 | 80.8 Ų | 80.8 | 89% | 0.888 | 41% | 0.412 | S | S | * | . | trans | -79.7 | 83.4 | 174.8 | -68.4 | -173 | 172.7 | 0 | 0 | 110.6 | P336 | P336-E338 PolarHBondContact O-N 3.11Š| ||
| 339 | Q | 75.9 | Confident | 81.6 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | trans | -129.7 | 131.7 | 169.7 | -70.7 | -174.2 | -3.2 | 0 | 0 | 110.5 | H285 H288 L337 | H285-Q339 PolarHBondContact ND1-OE1 3.38Å; H288-Q339 PolarHBondContact ND1-OE1 2.77Å; L337-Q339 HydrophobicContact CD2-CB 4.49Å; L337-Q339 HydrophobicContact CD2-CG 4.16Å; L337-Q339 HydrophobicContact CG-CG 4.23Å; L337-Q339 PolarHBondContact O-N 3.34Å | ||
| 340 | P | 86.7 | Confident | 82.1 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 66% | 0.662 | 38% | 0.382 | S | S | * | . | trans | -70.5 | 136.3 | -177.4 | 28.8 | -34.1 | 0 | 0 | 0 | 111.2 | H285 D342 | H285-P340 PolarHBondContact CE1-O 2.68Å; H285-P340 PolarHBondContact NE2-O 3.24Å; P340-D342 PolarHBondContact O-N 2.75Å | ||
| 341 | L | 93.1 | Very high | 82.8 | Confident | 38 Ų | 38 | 73.8 Ų | 73.8 | 20% | 0.199 | 37% | 0.373 | C | S | . | . | trans | -65.1 | 128.9 | 175.6 | -175.9 | 70.1 | 0 | 0 | 0 | 110.9 | Q292 A323 Q324 E343 V346 | Q292-L341 HydrophobicContact CB-CD1 4.04Å; A323-L341 HydrophobicContact CB-CD2 3.84Å; Q324-L341 HydrophobicContact CG-CD2 4.08Å; L341-E343 HydrophobicContact CD2-CG 4.31Å; L341-E343 PolarHBondContact O-N 2.84Å; L341-E343 VanDerWaalsContact O-N 3.09Å; L341-V346 HydrophobicContact CD1-CG2 3.85Å; L341-V346 HydrophobicContact CD2-CG2 4.35Å; L341-V346 HydrophobicContact CG-CG2 4.17Å | ||
| 342 | D | 95.8 | Very high | 84.3 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -78.2 | 88 | 167.3 | -173.6 | -15.6 | 0 | 0 | 0 | 109.9 | C289 P340 A344 L345 V346 | C289-D342 HydrophobicContact CB-CB 4.38Å; P340-D342 PolarHBondContact O-N 2.75Å; D342-A344 PolarHBondContact O-N 3.46Å; D342-A344 WeakPolarHBondContact OD1-CB 3.36Å; D342-A344 PolarHBondContact OD1-N 3.25Å; D342-A344 VanDerWaalsContact OD1-N 3.17Å; D342-L345 HydrophobicContact CB-CB 3.88Å; D342-L345 HydrophobicContact CB-CD2 4.49Å; D342-L345 VanDerWaalsContact CG-CB 3.43Å; D342-L345 WeakPolarHBondContact O-CB 3.41Å; D342-L345 PolarHBondContact O-N 3.31Å; D342-L345 PolarHBondContact OD1-N 3.46Å; D342-V346 WeakPolarHBondContact O-CG2 3.48Å; D342-V346 PolarHBondContact O-N 3.32Å; D342-V346 VanDerWaalsContact O-N 3.08Å | ||
| 343 | E | 97.2 | Very high | 85.9 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -31.5 | -179.9 | -64.6 | -179 | -169.6 | 0 | 0 | 112.9 | V320 Q324 L341 L345 V346 R347 | V320-E343 HydrophobicContact CG1-CB 4.05Å; V320-E343 HydrophobicContact CG1-CG 3.98Å; Q324-E343 VanDerWaalsContact NE2-CD 3.3Å; Q324-E343 PolarHBondContact NE2-OE1 2.85Å; L341-E343 HydrophobicContact CD2-CG 4.31Å; L341-E343 PolarHBondContact O-N 2.84Å; L341-E343 VanDerWaalsContact O-N 3.09Å; E343-L345 VanDerWaalsContact C-N 3.34Å; E343-V346 PolarHBondContact O-N 2.97Å; E343-R347 VanDerWaalsContact O-CB 3.23Å; E343-R347 WeakPolarHBondContact O-CB 3.45Å; E343-R347 PolarHBondContact O-N 3.47Å; E343-R347 PolarHBondContact O-NH1 2.97Å |
| 344 | A | 95.9 | Very high | 87.5 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D342 T348 | D342-A344 PolarHBondContact O-N 3.46Å; D342-A344 WeakPolarHBondContact OD1-CB 3.36Å; D342-A344 PolarHBondContact OD1-N 3.25Å; D342-A344 VanDerWaalsContact OD1-N 3.17Å; A344-T348 WeakPolarHBondContact O-CB 3.44Å; A344-T348 PolarHBondContact O-N 2.93Å; A344-T348 PolarHBondContact O-OG1 2.97Å |
| 345 | L | 96.4 | Very high | 89.2 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -52.4 | 171.6 | 177 | 60.5 | 0 | 0 | 0 | 111.4 | R286 C289 L290 D342 E343 R347 T348 V349 L392 | R286-L345 HydrophobicContact CG-CD2 4.15Å; C289-L345 HydrophobicContact CB-CD2 3.7Å; L290-L345 HydrophobicContact CD2-CD1 4.2Å; L290-L345 HydrophobicContact CD2-CD2 4.29Å; L290-L345 HydrophobicContact CD2-CG 4.38Å; L290-L345 HydrophobicContact CG-CD2 4.31Å; D342-L345 HydrophobicContact CB-CB 3.88Å; D342-L345 HydrophobicContact CB-CD2 4.49Å; D342-L345 VanDerWaalsContact CG-CB 3.43Å; D342-L345 WeakPolarHBondContact O-CB 3.41Å; D342-L345 PolarHBondContact O-N 3.31Å; D342-L345 PolarHBondContact OD1-N 3.46Å; E343-L345 VanDerWaalsContact C-N 3.34Å; L345-R347 VanDerWaalsContact C-N 3.3Å; L345-R347 PolarHBondContact O-N 3.39Å; L345-T348 PolarHBondContact O-N 3.36Å; L345-T348 VanDerWaalsContact O-N 3.16Å; L345-V349 HydrophobicContact CD1-CG2 4.25Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3Å; L345-L392 HydrophobicContact CD1-CD1 3.26Å |
| 346 | V | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | -179.5 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | A293 V319 V320 A323 L341 D342 E343 V349 A350 | A293-V346 HydrophobicContact CB-CG1 4.38Å; A293-V346 HydrophobicContact CB-CG2 4.22Å; V319-V346 HydrophobicContact CG1-CG1 4.07Å; V320-V346 HydrophobicContact CG2-CB 4.28Å; V320-V346 HydrophobicContact CG2-CG1 4.01Å; A323-V346 HydrophobicContact CB-CG1 4.01Å; A323-V346 HydrophobicContact CB-CG2 4.46Å; L341-V346 HydrophobicContact CD1-CG2 3.85Å; L341-V346 HydrophobicContact CD2-CG2 4.35Å; L341-V346 HydrophobicContact CG-CG2 4.17Å; D342-V346 WeakPolarHBondContact O-CG2 3.48Å; D342-V346 PolarHBondContact O-N 3.32Å; D342-V346 VanDerWaalsContact O-N 3.08Å; E343-V346 PolarHBondContact O-N 2.97Å; V346-V349 WeakPolarHBondContact O-CB 3.28Å; V346-V349 PolarHBondContact O-N 3.48Å; V346-A350 WeakPolarHBondContact O-CB 3.48Å; V346-A350 PolarHBondContact O-N 2.88Å |
| 347 | R | 97.6 | Very high | 92.1 | Very high | 62 Ų | 62 | 40 Ų | 40 | 23% | 0.234 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.5 | -177.4 | -177.7 | -67.5 | 92.7 | 5.9 | 112.1 | A316 E317 V320 E343 L345 V349 A350 L351 | A316-R347 HydrophobicContact CB-CG 4.32Å; E317-R347 IonicContact OE1-CZ 2.83Å; E317-R347 IonicContact OE1-NE 2.87Å; E317-R347 PolarHBondContact OE1-NE 3.02Å; E317-R347 IonicContact OE1-NH2 3.6Å; E317-R347 PolarHBondContact OE1-NH2 3.5Å; E317-R347 IonicContact OE2-CZ 2.65Å; E317-R347 IonicContact OE2-NE 2.72Å; E317-R347 IonicContact OE2-NH2 3.62Å; E317-R347 PolarHBondContact OE2-NH2 3.31Å; V320-R347 HydrophobicContact CG2-CB 3.83Å; E343-R347 VanDerWaalsContact O-CB 3.23Å; E343-R347 WeakPolarHBondContact O-CB 3.45Å; E343-R347 PolarHBondContact O-N 3.47Å; E343-R347 PolarHBondContact O-NH1 2.97Å; L345-R347 VanDerWaalsContact C-N 3.3Å; L345-R347 PolarHBondContact O-N 3.39Å; R347-V349 VanDerWaalsContact C-N 3.3Å; R347-V349 PolarHBondContact O-N 3.31Å; R347-A350 PolarHBondContact O-N 3.2Å; R347-L351 HydrophobicContact CG-CD1 4.19Å; R347-L351 VanDerWaalsContact O-CG 3.31Å; R347-L351 WeakPolarHBondContact O-CG 3.29Å; R347-L351 PolarHBondContact O-N 2.71Å |
| 348 | T | 95.6 | Very high | 93.2 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.8 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | A344 L345 S352 L392 L395 | A344-T348 WeakPolarHBondContact O-CB 3.44Å; A344-T348 PolarHBondContact O-N 2.93Å; A344-T348 PolarHBondContact O-OG1 2.97Å; L345-T348 PolarHBondContact O-N 3.36Å; L345-T348 VanDerWaalsContact O-N 3.16Å; T348-S352 PolarHBondContact O-N 2.95Å; T348-S352 PolarHBondContact O-OG 2.83Å; T348-L392 HydrophobicContact CG2-CD2 3.96Å; T348-L395 HydrophobicContact CG2-CD1 3.57Å |
| 349 | V | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 172.9 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | V155 L290 A293 L297 L345 V346 R347 L351 S352 S353 L392 | V155-V349 HydrophobicContact CG1-CG2 3.67Å; V155-V349 HydrophobicContact CG2-CG1 3.78Å; V155-V349 HydrophobicContact CG2-CG2 4.4Å; L290-V349 HydrophobicContact CD2-CG2 3.99Å; A293-V349 HydrophobicContact CB-CB 4.41Å; A293-V349 HydrophobicContact CB-CG1 4.1Å; L297-V349 HydrophobicContact CD1-CG1 4.04Å; L345-V349 HydrophobicContact CD1-CG2 4.25Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3Å; V346-V349 WeakPolarHBondContact O-CB 3.28Å; V346-V349 PolarHBondContact O-N 3.48Å; R347-V349 VanDerWaalsContact C-N 3.3Å; R347-V349 PolarHBondContact O-N 3.31Å; V349-L351 PolarHBondContact O-N 3.46Å; V349-S352 PolarHBondContact O-N 3.14Å; V349-S352 PolarHBondContact O-OG 3.45Å; V349-S353 WeakPolarHBondContact O-CA 3.31Å; V349-S353 WeakPolarHBondContact O-CB 3.37Å; V349-S353 PolarHBondContact O-N 3.07Å; V349-L392 HydrophobicContact CG2-CD1 4.31Å |
| 350 | A | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A316 V319 V346 R347 S352 S353 | A316-A350 HydrophobicContact CB-CB 3.99Å; V319-A350 HydrophobicContact CB-CB 3.78Å; V319-A350 HydrophobicContact CG1-CB 3.91Å; V319-A350 HydrophobicContact CG2-CB 4.05Å; V346-A350 WeakPolarHBondContact O-CB 3.48Å; V346-A350 PolarHBondContact O-N 2.88Å; R347-A350 PolarHBondContact O-N 3.2Å; A350-S352 VanDerWaalsContact C-N 3.28Å; A350-S352 PolarHBondContact O-N 3.3Å; A350-S353 PolarHBondContact O-N 2.87Å; A350-S353 PolarHBondContact O-OG 2.81Å |
| 351 | L | 96.3 | Very high | 96.3 | Very high | 27 Ų | 27 | 20.9 Ų | 20.9 | 14% | 0.141 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.2 | -36.5 | 178.9 | -71 | 167.6 | 0 | 0 | 0 | 112.9 | W311 A316 R347 V349 | W311-L351 HydrophobicContact CE3-CB 4.23Å; W311-L351 PolarHBondContact N-O 3.04Å; A316-L351 HydrophobicContact CB-CD2 3.69Å; A316-L351 HydrophobicContact CB-CG 3.78Å; R347-L351 HydrophobicContact CG-CD1 4.19Å; R347-L351 VanDerWaalsContact O-CG 3.31Å; R347-L351 WeakPolarHBondContact O-CG 3.29Å; R347-L351 PolarHBondContact O-N 2.71Å; V349-L351 PolarHBondContact O-N 3.46Å |
| 352 | S | 94.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -100.4 | -4.9 | -176.5 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | G153 T348 V349 A350 G354 G355 | G153-S352 WeakPolarHBondContact CA-O 3.06Å; T348-S352 PolarHBondContact O-N 2.95Å; T348-S352 PolarHBondContact O-OG 2.83Å; V349-S352 PolarHBondContact O-N 3.14Å; V349-S352 PolarHBondContact O-OG 3.45Å; A350-S352 VanDerWaalsContact C-N 3.28Å; A350-S352 PolarHBondContact O-N 3.3Å; S352-G354 VanDerWaalsContact C-N 3.26Å; S352-G354 PolarHBondContact O-N 2.94Å; S352-G355 PolarHBondContact O-N 3.02Å |
| 353 | S | 95.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.2 | -169.7 | 63.8 | 0 | 0 | 0 | 0 | 115.3 | V349 A350 G355 | V349-S353 WeakPolarHBondContact O-CA 3.31Å; V349-S353 WeakPolarHBondContact O-CB 3.37Å; V349-S353 PolarHBondContact O-N 3.07Å; A350-S353 PolarHBondContact O-N 2.87Å; A350-S353 PolarHBondContact O-OG 2.81Å; S353-G355 PolarHBondContact O-N 2.93Å |
| 354 | G | 92.5 | Very high | 96.8 | Very high | 30 Ų | 30 | 12.6 Ų | 12.6 | 31% | 0.309 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -5.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S352 | S352-G354 VanDerWaalsContact C-N 3.26Å; S352-G354 PolarHBondContact O-N 2.94Å |
| 355 | G | 93.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | trans | -90.5 | 160.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G153 S352 S353 G417 | G153-G355 WeakPolarHBondContact CA-O 3.37Å; G153-G355 PolarHBondContact N-O 3.41Å; S352-G355 PolarHBondContact O-N 3.02Å; S353-G355 PolarHBondContact O-N 2.93Å; G355-G417 CarbonylContact C-O 3.5Å; G355-G417 WeakPolarHBondContact CA-O 3.47Å | ||
| 356 | V | 95.7 | Very high | 97 | Very high | 21 Ų | 21 | 9.5 Ų | 9.5 | 13% | 0.127 | 6% | 0.057 | C | C | . | . | trans | -131.2 | 119.4 | 175 | -176.8 | 0 | 0 | 0 | 0 | 108 | A74 G417 | A74-V356 HydrophobicContact CB-CG1 3.62Å; V356-G417 PolarHBondContact N-O 2.82Å; V356-G417 CarbonylContact O-C 3.43Å; V356-G417 VanDerWaalsContact O-C 3.27Å | ||
| 357 | L | 98 | Very high | 97 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | trans | -120.6 | 121.5 | -173.9 | -60.5 | -179.1 | 0 | 0 | 0 | 111.1 | G153 L154 M360 V361 Q418 V421 F422 Y869 | G153-L357 WeakPolarHBondContact O-CD1 3.28Å; L154-L357 HydrophobicContact CD2-CD1 3.38Å; L154-L357 HydrophobicContact CG-CD1 3.81Å; L357-M360 HydrophobicContact CB-CB 4.19Å; L357-M360 HydrophobicContact CB-CG 4.06Å; L357-M360 HydrophobicContact CD1-CG 4.25Å; L357-M360 PolarHBondContact O-N 3.49Å; L357-M360 VanDerWaalsContact O-N 3.17Å; L357-V361 PolarHBondContact O-N 2.97Å; L357-Q418 HydrophobicContact CD2-CB 4.1Å; L357-Q418 HydrophobicContact CD2-CG 3.85Å; L357-V421 HydrophobicContact CD1-CG1 4.4Å; L357-V421 HydrophobicContact CD1-CG2 4.17Å; L357-V421 HydrophobicContact CD2-CB 4.3Å; L357-V421 HydrophobicContact CD2-CG2 3.93Å; L357-V421 HydrophobicContact CG-CG2 4.08Å; L357-F422 HydrophobicContact CD1-CE2 4.01Å; L357-F422 HydrophobicContact CD1-CZ 4.34Å; L357-F422 HydrophobicContact CD2-CD2 4.27Å; L357-F422 HydrophobicContact CD2-CE2 3.81Å; L357-Y869 HydrophobicContact CD1-CE2 4.44Å | ||
| 358 | S | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -52.3 | -44 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 113.7 | A73 M360 V361 A362 L453 | A73-S358 WeakPolarHBondContact O-CB 3.43Å; S358-M360 PolarHBondContact O-N 2.87Å; S358-V361 PolarHBondContact O-N 3.25Å; S358-A362 WeakPolarHBondContact O-CB 3.12Å; S358-A362 PolarHBondContact O-N 2.8Å; S358-L453 WeakPolarHBondContact OG-CD1 3.43Å |
| 359 | P | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 177.9 | -27.3 | 37.4 | 0 | 0 | 0 | 114.4 | A362 M363 V450 V454 G862 L866 Y869 | P359-A362 PolarHBondContact O-N 3.45Å; P359-M363 WeakPolarHBondContact O-CB 3.42Å; P359-M363 PolarHBondContact O-N 3.35Å; P359-V450 HydrophobicContact CG-CG1 3.99Å; P359-V454 HydrophobicContact CG-CG1 4.09Å; P359-G862 WeakPolarHBondContact CB-O 3.32Å; P359-G862 VanDerWaalsContact O-CA 3.26Å; P359-G862 WeakPolarHBondContact O-CA 3.35Å; P359-L866 HydrophobicContact CB-CD2 3.88Å; P359-L866 HydrophobicContact CB-CG 3.92Å; P359-Y869 HydrophobicContact CB-CE2 4.47Å; P359-Y869 WeakPolarHBondContact CD-OH 3.49Å; P359-Y869 HydrophobicContact CG-CE2 3.75Å |
| 360 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 177.1 | -72.2 | -67.4 | -64 | 0 | 0 | 111.2 | T151 G153 L154 V155 L357 S358 M363 L364 F389 A391 L866 | T151-M360 HydrophobicContact CG2-CB 4.32Å; G153-M360 WeakPolarHBondContact O-CG 3.47Å; L154-M360 VanDerWaalsContact C-CE 3.48Å; L154-M360 WeakPolarHBondContact O-CE 3.39Å; V155-M360 VanDerWaalsContact C-CE 3.45Å; L357-M360 HydrophobicContact CB-CB 4.19Å; L357-M360 HydrophobicContact CB-CG 4.06Å; L357-M360 HydrophobicContact CD1-CG 4.25Å; L357-M360 PolarHBondContact O-N 3.49Å; L357-M360 VanDerWaalsContact O-N 3.17Å; S358-M360 PolarHBondContact O-N 2.87Å; M360-M363 PolarHBondContact O-N 3.08Å; M360-L364 WeakPolarHBondContact O-CB 3.47Å; M360-L364 PolarHBondContact O-N 3.47Å; M360-F389 HydrophobicContact CE-CD1 3.69Å; M360-F389 HydrophobicContact CE-CE1 4.08Å; M360-F389 HydrophobicContact SD-CD1 3.92Å; M360-F389 HydrophobicContact SD-CE1 3.66Å; M360-A391 HydrophobicContact SD-CB 3.95Å; M360-L866 HydrophobicContact CG-CD2 4.06Å; M360-L866 HydrophobicContact SD-CD1 4.17Å; M360-L866 HydrophobicContact SD-CD2 3.93Å |
| 361 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 176 | 154.6 | 0 | 0 | 0 | 0 | 111.5 | G42 L43 E46 A74 T151 L357 S358 M363 G365 | G42-V361 WeakPolarHBondContact O-CG1 3.39Å; L43-V361 HydrophobicContact CB-CG2 4.28Å; E46-V361 HydrophobicContact CB-CG1 3.99Å; A74-V361 HydrophobicContact CB-CB 4.18Å; A74-V361 HydrophobicContact CB-CG1 4.28Å; A74-V361 HydrophobicContact CB-CG2 3.92Å; T151-V361 HydrophobicContact CG2-CG2 4.46Å; L357-V361 PolarHBondContact O-N 2.97Å; S358-V361 PolarHBondContact O-N 3.25Å; V361-M363 VanDerWaalsContact C-N 3.34Å; V361-M363 PolarHBondContact O-N 2.9Å; V361-G365 WeakPolarHBondContact O-CA 3.45Å; V361-G365 PolarHBondContact O-N 2.9Å |
| 362 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S358 P359 A366 V450 | S358-A362 WeakPolarHBondContact O-CB 3.12Å; S358-A362 PolarHBondContact O-N 2.8Å; P359-A362 PolarHBondContact O-N 3.45Å; A362-A366 WeakPolarHBondContact O-CB 3.44Å; A362-A366 PolarHBondContact O-N 2.67Å; A362-V450 HydrophobicContact CB-CG2 4.4Å |
| 363 | M | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 3.7 Ų | 3.7 | 2% | 0.02 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -64.3 | -59.2 | 177.8 | -179.2 | -80.8 | -163.9 | 0 | 0 | 111.9 | P359 M360 V361 A366 V367 F389 L863 L893 | P359-M363 WeakPolarHBondContact O-CB 3.42Å; P359-M363 PolarHBondContact O-N 3.35Å; M360-M363 PolarHBondContact O-N 3.08Å; V361-M363 VanDerWaalsContact C-N 3.34Å; V361-M363 PolarHBondContact O-N 2.9Å; M363-A366 PolarHBondContact O-N 2.71Å; M363-V367 WeakPolarHBondContact O-CG2 3.47Å; M363-V367 PolarHBondContact O-N 3.43Å; M363-F389 HydrophobicContact CE-CB 3.99Å; M363-F389 HydrophobicContact CE-CD1 3.76Å; M363-F389 HydrophobicContact CE-CD2 3.25Å; M363-F389 HydrophobicContact CE-CE1 4.03Å; M363-F389 HydrophobicContact CE-CE2 3.54Å; M363-F389 HydrophobicContact CE-CG 3.36Å; M363-F389 HydrophobicContact CE-CZ 3.92Å; M363-F389 HydrophobicContact SD-CD1 4Å; M363-F389 HydrophobicContact SD-CE1 4.3Å; M363-F389 HydrophobicContact SD-CG 4.12Å; M363-L863 HydrophobicContact CG-CD2 4.14Å; M363-L863 HydrophobicContact CG-CG 4.2Å; M363-L893 HydrophobicContact CE-CD2 3.68Å |
| 364 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -73.7 | -36.5 | -171.1 | -168.5 | 67.8 | 0 | 0 | 0 | 112.1 | L43 D150 T151 Q157 L158 M360 A366 V367 A368 | L43-L364 HydrophobicContact CD1-CB 3.98Å; L43-L364 HydrophobicContact CD1-CD2 4.31Å; L43-L364 HydrophobicContact CD1-CG 4.26Å; L43-L364 HydrophobicContact CD2-CD2 4.31Å; D150-L364 WeakPolarHBondContact O-CD2 3.23Å; T151-L364 HydrophobicContact CG2-CB 4.21Å; T151-L364 HydrophobicContact CG2-CD2 3.61Å; Q157-L364 WeakPolarHBondContact O-CD2 3.39Å; L158-L364 HydrophobicContact CB-CD1 4.03Å; M360-L364 WeakPolarHBondContact O-CB 3.47Å; M360-L364 PolarHBondContact O-N 3.47Å; L364-A366 VanDerWaalsContact C-N 3.28Å; L364-A366 PolarHBondContact O-N 3.12Å; L364-V367 PolarHBondContact O-N 3.42Å; L364-A368 WeakPolarHBondContact O-CB 3.5Å; L364-A368 PolarHBondContact O-N 3.33Å |
| 365 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -65.9 | -32.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L43 V47 V361 A369 | L43-G365 VanDerWaalsContact CD1-CA 3.48Å; L43-G365 VanDerWaalsContact CD1-N 3.27Å; V47-G365 WeakPolarHBondContact CG2-O 3.43Å; V361-G365 WeakPolarHBondContact O-CA 3.45Å; V361-G365 PolarHBondContact O-N 2.9Å; G365-A369 VanDerWaalsContact O-CB 3.28Å; G365-A369 WeakPolarHBondContact O-CB 3.44Å; G365-A369 PolarHBondContact O-N 3.24Å |
| 366 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -69.6 | -40.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A362 M363 L364 Q370 T855 A858 A859 | A362-A366 WeakPolarHBondContact O-CB 3.44Å; A362-A366 PolarHBondContact O-N 2.67Å; M363-A366 PolarHBondContact O-N 2.71Å; L364-A366 VanDerWaalsContact C-N 3.28Å; L364-A366 PolarHBondContact O-N 3.12Å; A366-Q370 PolarHBondContact O-N 3.46Å; A366-T855 VanDerWaalsContact CB-O 3.26Å; A366-T855 WeakPolarHBondContact CB-O 3.42Å; A366-A858 HydrophobicContact CB-CB 3.78Å; A366-A859 HydrophobicContact CB-CB 3.92Å |
| 367 | V | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 2 Ų | 2 | 8% | 0.079 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -65 | -47 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | L158 M363 L364 A369 Q370 E371 L387 L888 | L158-V367 HydrophobicContact CD2-CB 4.45Å; L158-V367 HydrophobicContact CD2-CG1 3.76Å; M363-V367 WeakPolarHBondContact O-CG2 3.47Å; M363-V367 PolarHBondContact O-N 3.43Å; L364-V367 PolarHBondContact O-N 3.42Å; V367-A369 PolarHBondContact O-N 3.25Å; V367-Q370 WeakPolarHBondContact O-CA 3.49Å; V367-Q370 WeakPolarHBondContact O-CB 3.3Å; V367-Q370 PolarHBondContact O-N 3.49Å; V367-E371 PolarHBondContact O-N 3.23Å; V367-L387 HydrophobicContact CG1-CD2 3.84Å; V367-L888 HydrophobicContact CG2-CD2 3.98Å |
| 368 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V47 A149 L158 L364 Q370 E371 V372 | V47-A368 HydrophobicContact CG2-CB 3.86Å; A149-A368 HydrophobicContact CB-CB 4.36Å; L158-A368 HydrophobicContact CD1-CB 3.9Å; L158-A368 HydrophobicContact CD2-CB 4.25Å; L364-A368 WeakPolarHBondContact O-CB 3.5Å; L364-A368 PolarHBondContact O-N 3.33Å; A368-Q370 VanDerWaalsContact C-N 3.29Å; A368-Q370 PolarHBondContact O-N 2.66Å; A368-E371 PolarHBondContact O-N 3.4Å; A368-V372 WeakPolarHBondContact O-CG2 3.44Å; A368-V372 PolarHBondContact O-N 2.89Å |
| 369 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -61 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V47 N50 L51 G365 V367 E371 V372 L373 T855 | V47-A369 HydrophobicContact CG1-CB 4.41Å; N50-A369 HydrophobicContact CB-CB 3.55Å; L51-A369 HydrophobicContact CD2-CB 4.46Å; G365-A369 VanDerWaalsContact O-CB 3.28Å; G365-A369 WeakPolarHBondContact O-CB 3.44Å; G365-A369 PolarHBondContact O-N 3.24Å; V367-A369 PolarHBondContact O-N 3.25Å; A369-E371 VanDerWaalsContact C-N 3.34Å; A369-V372 WeakPolarHBondContact O-CB 3.38Å; A369-V372 PolarHBondContact O-N 2.97Å; A369-L373 WeakPolarHBondContact O-CG 3.26Å; A369-L373 PolarHBondContact O-N 2.98Å; A369-T855 HydrophobicContact CB-CG2 3.99Å |
| 370 | Q | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 175 | -173.5 | 62.2 | 54.9 | 0 | 0 | 111.5 | A366 V367 A368 V372 L373 K374 T855 L888 | A366-Q370 PolarHBondContact O-N 3.46Å; V367-Q370 WeakPolarHBondContact O-CA 3.49Å; V367-Q370 WeakPolarHBondContact O-CB 3.3Å; V367-Q370 PolarHBondContact O-N 3.49Å; A368-Q370 VanDerWaalsContact C-N 3.29Å; A368-Q370 PolarHBondContact O-N 2.66Å; Q370-V372 PolarHBondContact O-N 3.3Å; Q370-L373 WeakPolarHBondContact O-CB 3.41Å; Q370-L373 PolarHBondContact O-N 2.99Å; Q370-L373 VanDerWaalsContact O-N 3.1Å; Q370-K374 WeakPolarHBondContact O-CG 3.5Å; Q370-K374 PolarHBondContact O-N 3.31Å; Q370-T855 HydrophobicContact CB-CG2 4.1Å; Q370-T855 PolarHBondContact OE1-OG1 2.85Å; Q370-L888 HydrophobicContact CB-CD1 4.12Å; Q370-L888 HydrophobicContact CG-CB 3.84Å; Q370-L888 HydrophobicContact CG-CD1 4.07Å |
| 371 | E | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 176 | -65.3 | -49 | 119.5 | 0 | 0 | 112.3 | L147 L158 F162 V367 A368 A369 L373 K374 A375 P382 L383 N891 | L147-E371 HydrophobicContact CD2-CB 3.68Å; L158-E371 HydrophobicContact CD2-CG 3.98Å; F162-E371 WeakPolarHBondContact CZ-O 3.19Å; V367-E371 PolarHBondContact O-N 3.23Å; A368-E371 PolarHBondContact O-N 3.4Å; A369-E371 VanDerWaalsContact C-N 3.34Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.43Å; E371-K374 WeakPolarHBondContact O-CB 3.41Å; E371-K374 PolarHBondContact O-N 2.67Å; E371-K374 VanDerWaalsContact O-N 3.09Å; E371-K374 WeakPolarHBondContact OE1-CE 3.21Å; E371-K374 IonicContact OE1-NZ 3.86Å; E371-K374 PolarHBondContact OE1-NZ 3.06Å; E371-K374 WeakPolarHBondContact OE2-CD 3.33Å; E371-K374 IonicContact OE2-NZ 2.74Å; E371-A375 PolarHBondContact O-N 3.39Å; E371-P382 WeakPolarHBondContact OE2-CA 3.32Å; E371-L383 HydrophobicContact CG-CB 4.21Å; E371-L383 WeakPolarHBondContact OE2-CB 3.5Å; E371-L383 PolarHBondContact OE2-N 2.89Å; E371-N891 PolarHBondContact OE1-OD1 3.34Å |
| 372 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.4 | -43.1 | 170.8 | 174.7 | 0 | 0 | 0 | 0 | 111 | V35 L51 V121 V123 L147 A368 A369 Q370 K374 A375 I376 | V35-V372 HydrophobicContact CG1-CG1 4.1Å; V35-V372 HydrophobicContact CG2-CG1 4.05Å; L51-V372 HydrophobicContact CD1-CG1 4.01Å; L51-V372 HydrophobicContact CD2-CB 3.82Å; L51-V372 HydrophobicContact CD2-CG1 3.5Å; L51-V372 VanDerWaalsContact CD2-CG1 3.5Å; L51-V372 HydrophobicContact CG-CG1 4.41Å; V121-V372 HydrophobicContact CB-CG1 4.25Å; V121-V372 HydrophobicContact CG1-CB 4.4Å; V121-V372 HydrophobicContact CG1-CG1 4.07Å; V121-V372 HydrophobicContact CG1-CG2 4.05Å; V121-V372 HydrophobicContact CG2-CG1 4.34Å; V123-V372 HydrophobicContact CG2-CG2 3.45Å; V123-V372 VanDerWaalsContact CG2-CG2 3.45Å; L147-V372 HydrophobicContact CD1-CG2 4.48Å; L147-V372 HydrophobicContact CD2-CG2 3.79Å; A368-V372 WeakPolarHBondContact O-CG2 3.44Å; A368-V372 PolarHBondContact O-N 2.89Å; A369-V372 WeakPolarHBondContact O-CB 3.38Å; A369-V372 PolarHBondContact O-N 2.97Å; Q370-V372 PolarHBondContact O-N 3.3Å; V372-K374 VanDerWaalsContact C-N 3.3Å; V372-K374 PolarHBondContact O-N 3.33Å; V372-A375 WeakPolarHBondContact O-CB 3.49Å; V372-A375 PolarHBondContact O-N 2.66Å; V372-I376 HydrophobicContact CG1-CD1 3.67Å; V372-I376 HydrophobicContact CG1-CG1 4.48Å; V372-I376 WeakPolarHBondContact O-CD1 3.33Å; V372-I376 VanDerWaalsContact O-CG1 3.32Å; V372-I376 WeakPolarHBondContact O-CG1 3.27Å; V372-I376 PolarHBondContact O-N 3.36Å |
| 373 | L | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.1 | -61.5 | 173.6 | 0 | 0 | 0 | 111.6 | I30 L51 M54 A369 Q370 E371 I376 S377 I853 T855 | I30-L373 HydrophobicContact CD1-CD2 4.09Å; I30-L373 HydrophobicContact CG1-CD2 4.36Å; I30-L373 HydrophobicContact CG2-CD2 4.48Å; L51-L373 HydrophobicContact CD2-CD2 4.21Å; M54-L373 HydrophobicContact CB-CD1 4.35Å; M54-L373 HydrophobicContact CB-CD2 3.89Å; M54-L373 HydrophobicContact CG-CD1 3.82Å; M54-L373 HydrophobicContact CG-CD2 4.25Å; M54-L373 HydrophobicContact SD-CD1 4.4Å; A369-L373 WeakPolarHBondContact O-CG 3.26Å; A369-L373 PolarHBondContact O-N 2.98Å; Q370-L373 WeakPolarHBondContact O-CB 3.41Å; Q370-L373 PolarHBondContact O-N 2.99Å; Q370-L373 VanDerWaalsContact O-N 3.1Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.43Å; L373-I376 PolarHBondContact O-N 3.05Å; L373-S377 WeakPolarHBondContact O-CB 3.42Å; L373-S377 PolarHBondContact O-N 2.79Å; L373-S377 PolarHBondContact O-OG 2.85Å; L373-I853 HydrophobicContact CD1-CD1 4.07Å; L373-T855 HydrophobicContact CD1-CG2 4.12Å |
| 374 | K | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 12 Ų | 12 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 175.7 | -61.1 | -176.1 | -171.7 | 169.8 | 0 | 111.4 | F162 Q370 E371 V372 I376 R378 K379 F380 M381 L888 N891 | F162-K374 HydrophobicContact CE2-CB 4.36Å; Q370-K374 WeakPolarHBondContact O-CG 3.5Å; Q370-K374 PolarHBondContact O-N 3.31Å; E371-K374 WeakPolarHBondContact O-CB 3.41Å; E371-K374 PolarHBondContact O-N 2.67Å; E371-K374 VanDerWaalsContact O-N 3.09Å; E371-K374 WeakPolarHBondContact OE1-CE 3.21Å; E371-K374 IonicContact OE1-NZ 3.86Å; E371-K374 PolarHBondContact OE1-NZ 3.06Å; E371-K374 WeakPolarHBondContact OE2-CD 3.33Å; E371-K374 IonicContact OE2-NZ 2.74Å; V372-K374 VanDerWaalsContact C-N 3.3Å; V372-K374 PolarHBondContact O-N 3.33Å; K374-I376 VanDerWaalsContact C-N 3.31Å; K374-I376 PolarHBondContact O-N 3.42Å; K374-R378 WeakPolarHBondContact O-CA 3.18Å; K374-R378 PolarHBondContact O-N 2.96Å; K374-K379 WeakPolarHBondContact CA-O 3.49Å; K374-K379 WeakPolarHBondContact CB-O 3.46Å; K374-K379 WeakPolarHBondContact CG-O 3.45Å; K374-F380 HydrophobicContact CD-CB 3.98Å; K374-F380 HydrophobicContact CG-CB 4.09Å; K374-M381 VanDerWaalsContact CD-O 3.32Å; K374-M381 WeakPolarHBondContact CD-O 3.41Å; K374-M381 WeakPolarHBondContact CE-O 3.39Å; K374-M381 PolarHBondContact NZ-O 3.43Å; K374-L888 VanDerWaalsContact CE-O 3.23Å; K374-L888 WeakPolarHBondContact CE-O 3.15Å; K374-L888 PolarHBondContact NZ-O 2.86Å; K374-N891 PolarHBondContact NZ-OD1 3.21Å |
| 375 | A | 98.1 | Very high | 97 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 4% | 0.041 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V121 C145 F162 F166 E371 V372 | V121-A375 HydrophobicContact CG2-CB 3.7Å; C145-A375 HydrophobicContact CB-CB 3.94Å; F162-A375 HydrophobicContact CD2-CB 4.28Å; F162-A375 HydrophobicContact CE1-CB 4.12Å; F162-A375 HydrophobicContact CE2-CB 3.68Å; F162-A375 HydrophobicContact CZ-CB 3.64Å; F166-A375 WeakPolarHBondContact CE2-O 3.41Å; F166-A375 WeakPolarHBondContact CZ-O 3Å; E371-A375 PolarHBondContact O-N 3.39Å; V372-A375 WeakPolarHBondContact O-CB 3.49Å; V372-A375 PolarHBondContact O-N 2.66Å |
| 376 | I | 97.8 | Very high | 97 | Very high | 15 Ų | 15 | 12.4 Ų | 12.4 | 8% | 0.077 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -75.3 | -50.5 | -178.1 | -64.9 | 163.6 | 0 | 0 | 0 | 111.8 | R29 I30 A33 V35 V56 V121 V372 L373 K374 R378 | R29-I376 HydrophobicContact CB-CG2 4.48Å; I30-I376 HydrophobicContact CB-CG2 4.44Å; I30-I376 HydrophobicContact CG1-CG2 3.96Å; A33-I376 HydrophobicContact CB-CB 4.35Å; A33-I376 HydrophobicContact CB-CD1 3.82Å; A33-I376 HydrophobicContact CB-CG1 3.94Å; A33-I376 HydrophobicContact CB-CG2 3.46Å; A33-I376 VanDerWaalsContact CB-CG2 3.46Å; V35-I376 HydrophobicContact CG2-CD1 3.64Å; V56-I376 HydrophobicContact CG1-CD1 4.24Å; V121-I376 HydrophobicContact CG2-CD1 4.28Å; V121-I376 HydrophobicContact CG2-CG1 3.68Å; V372-I376 HydrophobicContact CG1-CD1 3.67Å; V372-I376 HydrophobicContact CG1-CG1 4.48Å; V372-I376 WeakPolarHBondContact O-CD1 3.33Å; V372-I376 VanDerWaalsContact O-CG1 3.32Å; V372-I376 WeakPolarHBondContact O-CG1 3.27Å; V372-I376 PolarHBondContact O-N 3.36Å; L373-I376 PolarHBondContact O-N 3.05Å; K374-I376 VanDerWaalsContact C-N 3.31Å; K374-I376 PolarHBondContact O-N 3.42Å; I376-R378 VanDerWaalsContact C-N 3.31Å; I376-R378 PolarHBondContact O-N 3.4Å |
| 377 | S | 95.8 | Very high | 97 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -79.4 | -16.2 | -170 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | R29 L373 K379 | R29-S377 PolarHBondContact NE-O 3.3Å; R29-S377 PolarHBondContact NH2-O 2.93Å; L373-S377 WeakPolarHBondContact O-CB 3.42Å; L373-S377 PolarHBondContact O-N 2.79Å; L373-S377 PolarHBondContact O-OG 2.85Å; S377-K379 PolarHBondContact O-N 3.41Å; S377-K379 WeakPolarHBondContact OG-CB 3.39Å; S377-K379 PolarHBondContact OG-N 3.05Å |
| 378 | R | 95.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 13.8 Ų | 13.8 | 31% | 0.309 | 6% | 0.064 | S | C | . | . | trans | 56.4 | 25 | -169.1 | -49.3 | -60.2 | -171.2 | 137.6 | -8.4 | 112.4 | T167 Q169 D170 K374 I376 | T167-R378 WeakPolarHBondContact O-CD 3.39Å; T167-R378 PolarHBondContact O-NH1 3.39Å; Q169-R378 HydrophobicContact CB-CB 4.23Å; Q169-R378 HydrophobicContact CG-CB 3.87Å; Q169-R378 PolarHBondContact N-O 3.1Å; D170-R378 PolarHBondContact N-O 3.42Å; K374-R378 WeakPolarHBondContact O-CA 3.18Å; K374-R378 PolarHBondContact O-N 2.96Å; I376-R378 VanDerWaalsContact C-N 3.31Å; I376-R378 PolarHBondContact O-N 3.4Å | ||
| 379 | K | 93.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 14.2 Ų | 14.2 | 12% | 0.122 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -112.1 | 143.7 | 178.8 | -170.8 | 171 | -166.8 | 175.4 | 0 | 109.8 | V21 L22 D170 K374 S377 | V21-K379 PolarHBondContact O-NZ 3.22Å; L22-K379 VanDerWaalsContact C-NZ 3.29Å; L22-K379 HydrophobicContact CD2-CD 4.48Å; L22-K379 VanDerWaalsContact O-CD 3.26Å; L22-K379 WeakPolarHBondContact O-CD 3.42Å; L22-K379 PolarHBondContact O-NZ 2.65Å; D170-K379 HydrophobicContact CB-CG 4.14Å; D170-K379 CarbonylContact O-C 3.53Å; D170-K379 WeakPolarHBondContact O-CA 3.37Å; D170-K379 VanDerWaalsContact OD2-CE 3.28Å; D170-K379 WeakPolarHBondContact OD2-CE 3.42Å; D170-K379 IonicContact OD2-NZ 2.75Å; K374-K379 WeakPolarHBondContact CA-O 3.49Å; K374-K379 WeakPolarHBondContact CB-O 3.46Å; K374-K379 WeakPolarHBondContact CG-O 3.45Å; S377-K379 PolarHBondContact O-N 3.41Å; S377-K379 WeakPolarHBondContact OG-CB 3.39Å; S377-K379 PolarHBondContact OG-N 3.05Å |
| 380 | F | 95.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 65.6 | 154.2 | -173.3 | -45.8 | -48.9 | 0 | 0 | 0 | 113.8 | V21 L22 V168 D170 E173 K374 T567 A889 | V21-F380 HydrophobicContact CG1-CE2 4.5Å; V21-F380 HydrophobicContact CG1-CZ 4.23Å; L22-F380 HydrophobicContact CD2-CE2 3.83Å; L22-F380 HydrophobicContact CD2-CZ 4.41Å; V168-F380 WeakPolarHBondContact CG1-O 3.33Å; D170-F380 WeakPolarHBondContact O-CA 3.42Å; D170-F380 PolarHBondContact O-N 2.73Å; E173-F380 HydrophobicContact CB-CD1 4.4Å; E173-F380 HydrophobicContact CB-CE1 3.77Å; E173-F380 HydrophobicContact CG-CE1 4.03Å; E173-F380 HydrophobicContact CG-CZ 4.33Å; K374-F380 HydrophobicContact CD-CB 3.98Å; K374-F380 HydrophobicContact CG-CB 4.09Å; F380-T567 HydrophobicContact CD2-CG2 4.39Å; F380-T567 HydrophobicContact CE2-CG2 3.69Å; F380-T567 HydrophobicContact CZ-CG2 3.88Å; F380-A889 HydrophobicContact CB-CB 3.96Å; F380-A889 HydrophobicContact CD1-CB 3.37Å; F380-A889 HydrophobicContact CD2-CB 4.05Å; F380-A889 HydrophobicContact CE1-CB 3.78Å; F380-A889 HydrophobicContact CE2-CB 4.39Å; F380-A889 HydrophobicContact CG-CB 3.51Å; F380-A889 HydrophobicContact CZ-CB 4.26Å |
| 381 | M | 94.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 15.1 Ų | 15.1 | 19% | 0.192 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 126.3 | 175.8 | -76.7 | -60.5 | -57.1 | 0 | 0 | 110.2 | V168 P171 K260 V262 K374 N891 | V168-M381 HydrophobicContact CG2-SD 4.3Å; P171-M381 HydrophobicContact CB-CG 3.86Å; P171-M381 HydrophobicContact CB-SD 3.74Å; P171-M381 PolarHBondContact O-N 2.92Å; K260-M381 HydrophobicContact CB-SD 4.47Å; K260-M381 HydrophobicContact CD-CE 4.02Å; K260-M381 HydrophobicContact CD-SD 3.78Å; K260-M381 HydrophobicContact CG-SD 4.42Å; V262-M381 HydrophobicContact CG1-CE 3.49Å; V262-M381 VanDerWaalsContact CG1-CE 3.49Å; V262-M381 HydrophobicContact CG1-SD 4.47Å; K374-M381 VanDerWaalsContact CD-O 3.32Å; K374-M381 WeakPolarHBondContact CD-O 3.41Å; K374-M381 WeakPolarHBondContact CE-O 3.39Å; K374-M381 PolarHBondContact NZ-O 3.43Å; M381-N891 PolarHBondContact O-ND2 3.21Å; M381-N891 VanDerWaalsContact O-ND2 3.11Å |
| 382 | P | 96.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.019 | 8% | 0.075 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 157.1 | 174.7 | 30.1 | -34.8 | 0 | 0 | 0 | 111.2 | F162 V168 V262 E371 D384 N891 | F162-P382 HydrophobicContact CD2-CB 3.65Å; F162-P382 HydrophobicContact CD2-CG 4.01Å; F162-P382 HydrophobicContact CE2-CB 3.3Å; F162-P382 HydrophobicContact CE2-CG 4.1Å; F162-P382 HydrophobicContact CG-CB 4.43Å; F162-P382 HydrophobicContact CZ-CB 3.78Å; V168-P382 HydrophobicContact CG2-CG 4.36Å; V262-P382 HydrophobicContact CG1-CG 4.37Å; V262-P382 HydrophobicContact CG2-CG 3.75Å; E371-P382 WeakPolarHBondContact OE2-CA 3.32Å; P382-D384 PolarHBondContact O-N 2.9Å; P382-N891 VanDerWaalsContact C-ND2 3.28Å; P382-N891 PolarHBondContact O-ND2 3.42Å |
| 383 | L | 96.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 129.8 | 170.2 | -174.4 | 79.5 | 0 | 0 | 0 | 110.1 | L158 C160 H264 V277 E371 Q385 L387 N891 | L158-L383 HydrophobicContact CD2-CD2 4.04Å; L158-L383 HydrophobicContact CG-CD2 3.97Å; C160-L383 HydrophobicContact CB-CB 4.29Å; H264-L383 PolarHBondContact CE1-O 3.2Å; V277-L383 HydrophobicContact CB-CD1 3.95Å; V277-L383 HydrophobicContact CG1-CD1 4.43Å; V277-L383 HydrophobicContact CG2-CD1 3.43Å; V277-L383 VanDerWaalsContact CG2-CD1 3.43Å; V277-L383 HydrophobicContact CG2-CG 4.18Å; E371-L383 HydrophobicContact CG-CB 4.21Å; E371-L383 WeakPolarHBondContact OE2-CB 3.5Å; E371-L383 PolarHBondContact OE2-N 2.89Å; L383-Q385 WeakPolarHBondContact CD2-O 3.32Å; L383-L387 HydrophobicContact CD1-CB 3.93Å; L383-L387 HydrophobicContact CD2-CB 3.7Å; L383-L387 HydrophobicContact CG-CB 4.44Å; L383-N891 HydrophobicContact CD1-CB 4.25Å; L383-N891 PolarHBondContact N-ND2 3.23Å |
| 384 | D | 94 | Very high | 96 | Very high | 61 Ų | 61 | 17.4 Ų | 17.4 | 33% | 0.326 | 8% | 0.083 | S | C | . | . | trans | -125.1 | 94.6 | -179 | -173.2 | 22.2 | 0 | 0 | 0 | 109 | H264 H275 V277 P382 | H264-D384 IonicContact CD2-OD1 3.67Å; H264-D384 IonicContact NE2-OD1 3.44Å; H275-D384 PolarHBondContact CD2-O 3.34Å; H275-D384 IonicContact CD2-OD1 3.72Å; H275-D384 IonicContact CD2-OD2 2.86Å; V277-D384 WeakPolarHBondContact CG2-O 3.26Å; P382-D384 PolarHBondContact O-N 2.9Å | ||
| 385 | Q | 94.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.033 | 9% | 0.087 | C | C | . | . | S | Bend | cis | -124.7 | -28.8 | -9.5 | -59.1 | 174.9 | -2.4 | 0 | 0 | 110.9 | F159 C160 H275 L383 | F159-Q385 WeakPolarHBondContact CA-O 3.12Å; F159-Q385 HydrophobicContact CD2-CB 4.2Å; F159-Q385 HydrophobicContact CE2-CB 3.93Å; C160-Q385 PolarHBondContact N-O 3.37Å; H275-Q385 PolarHBondContact O-N 3.38Å; L383-Q385 WeakPolarHBondContact CD2-O 3.32Å |
| 386 | W | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.7 | 178.9 | -69.1 | 96.8 | 0 | 0 | 0 | 111.7 | L158 F159 L267 A270 L271 H275 V276 V277 Y388 | L158-W386 CarbonylContact O-C 3.51Å; L158-W386 WeakPolarHBondContact O-CA 3.5Å; F159-W386 HydrophobicContact CB-CD2 4.04Å; F159-W386 HydrophobicContact CB-CE3 3.72Å; F159-W386 HydrophobicContact CB-CH2 3.75Å; F159-W386 HydrophobicContact CB-CZ2 4.07Å; F159-W386 HydrophobicContact CB-CZ3 3.58Å; F159-W386 AromaticContact CD2-CD2 3.72Å; F159-W386 HydrophobicContact CD2-CD2 3.72Å; F159-W386 AromaticContact CD2-CE2 3.35Å; F159-W386 HydrophobicContact CD2-CE3 4.28Å; F159-W386 HydrophobicContact CD2-CG 4.13Å; F159-W386 HydrophobicContact CD2-CH2 4.21Å; F159-W386 AromaticContact CD2-CZ2 3.63Å; F159-W386 HydrophobicContact CD2-CZ2 3.63Å; F159-W386 AromaticContact CD2-NE1 3.58Å; F159-W386 HydrophobicContact CE2-CZ2 4.27Å; F159-W386 AromaticContact CE2-NE1 3.87Å; F159-W386 HydrophobicContact CG-CD2 4.29Å; F159-W386 HydrophobicContact CG-CE3 4.42Å; F159-W386 HydrophobicContact CG-CH2 4.06Å; F159-W386 AromaticContact CG-CZ2 3.91Å; F159-W386 HydrophobicContact CG-CZ2 3.91Å; F159-W386 HydrophobicContact CG-CZ3 4.33Å; L267-W386 HydrophobicContact CD1-CH2 3.77Å; L267-W386 HydrophobicContact CD1-CZ2 3.57Å; A270-W386 PolarHBondContact O-NE1 3.36Å; L271-W386 HydrophobicContact CD2-CH2 4.08Å; L271-W386 HydrophobicContact CD2-CZ2 3.88Å; L271-W386 HydrophobicContact CG-CZ2 4.29Å; H275-W386 PolarHBondContact O-N 2.99Å; V276-W386 WeakPolarHBondContact CA-O 3.15Å; V276-W386 HydrophobicContact CG1-CB 4.16Å; V277-W386 PolarHBondContact N-O 3.26Å; W386-Y388 HydrophobicContact CB-CD2 4.29Å; W386-Y388 HydrophobicContact CB-CE2 3.76Å; W386-Y388 HydrophobicContact CD2-CE2 4.23Å; W386-Y388 HydrophobicContact CE3-CE2 4.06Å; W386-Y388 AromaticContact CE3-CZ 3.76Å; W386-Y388 HydrophobicContact CG-CE2 4.15Å; W386-Y388 WeakPolarHBondContact CZ3-OH 3.12Å |
| 387 | L | 97.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 22.2 Ų | 22.2 | 10% | 0.099 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.7 | 164.7 | 174.9 | 67.6 | 0 | 0 | 0 | 108.1 | Q157 L158 V367 L383 | Q157-L387 CarbonylContact C-O 3.6Å; Q157-L387 VanDerWaalsContact CA-O 3.3Å; Q157-L387 WeakPolarHBondContact CA-O 3.34Å; L158-L387 HydrophobicContact CB-CB 4.32Å; L158-L387 PolarHBondContact N-O 3.09Å; L158-L387 PolarHBondContact O-N 3.4Å; V367-L387 HydrophobicContact CG1-CD2 3.84Å; L383-L387 HydrophobicContact CD1-CB 3.93Å; L383-L387 HydrophobicContact CD2-CB 3.7Å; L383-L387 HydrophobicContact CG-CB 4.44Å |
| 388 | Y | 97.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.2 | 168.4 | -71.6 | -81.8 | 0 | 0 | 0 | 109.3 | Q157 V276 A287 L290 H291 F294 W386 | Q157-Y388 HydrophobicContact CB-CD1 3.81Å; Q157-Y388 HydrophobicContact CB-CE1 3.48Å; Q157-Y388 VanDerWaalsContact CB-CE1 3.48Å; Q157-Y388 PolarHBondContact OE1-OH 3.06Å; V276-Y388 HydrophobicContact CG1-CD2 4.16Å; V276-Y388 HydrophobicContact CG1-CE2 4.24Å; A287-Y388 HydrophobicContact CB-CD2 4.1Å; A287-Y388 HydrophobicContact CB-CG 4.47Å; L290-Y388 HydrophobicContact CB-CD1 3.73Å; L290-Y388 HydrophobicContact CB-CE1 4.48Å; L290-Y388 HydrophobicContact CB-CG 4.03Å; H291-Y388 VanDerWaalsContact CA-CZ 3.47Å; H291-Y388 HydrophobicContact CB-CE1 4.17Å; H291-Y388 HydrophobicContact CB-CE2 3.69Å; H291-Y388 AromaticContact CG-CZ 3.93Å; H291-Y388 AromaticContact ND1-CE2 3.86Å; H291-Y388 AromaticContact ND1-CZ 3.56Å; H291-Y388 PolarHBondContact ND1-OH 3.48Å; F294-Y388 HydrophobicContact CD2-CD1 4.09Å; F294-Y388 AromaticContact CD2-CE1 3.77Å; F294-Y388 HydrophobicContact CD2-CE1 3.77Å; F294-Y388 HydrophobicContact CE2-CD1 4.22Å; F294-Y388 HydrophobicContact CE2-CE1 4.28Å; F294-Y388 HydrophobicContact CG-CE1 4.44Å; W386-Y388 HydrophobicContact CB-CD2 4.29Å; W386-Y388 HydrophobicContact CB-CE2 3.76Å; W386-Y388 HydrophobicContact CD2-CE2 4.23Å; W386-Y388 HydrophobicContact CE3-CE2 4.06Å; W386-Y388 AromaticContact CE3-CZ 3.76Å; W386-Y388 HydrophobicContact CG-CE2 4.15Å; W386-Y388 WeakPolarHBondContact CZ3-OH 3.12Å |
| 389 | F | 97 | Very high | 89.9 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 135.4 | 177.6 | 179.8 | -101.3 | 0 | 0 | 0 | 110.1 | V155 G156 M360 M363 A391 L863 L866 L893 | V155-F389 CarbonylContact C-O 3.55Å; V155-F389 WeakPolarHBondContact CA-O 3.32Å; G156-F389 PolarHBondContact N-O 2.97Å; G156-F389 PolarHBondContact O-N 3.24Å; M360-F389 HydrophobicContact CE-CD1 3.69Å; M360-F389 HydrophobicContact CE-CE1 4.08Å; M360-F389 HydrophobicContact SD-CD1 3.92Å; M360-F389 HydrophobicContact SD-CE1 3.66Å; M363-F389 HydrophobicContact CE-CB 3.99Å; M363-F389 HydrophobicContact CE-CD1 3.76Å; M363-F389 HydrophobicContact CE-CD2 3.25Å; M363-F389 HydrophobicContact CE-CE1 4.03Å; M363-F389 HydrophobicContact CE-CE2 3.54Å; M363-F389 HydrophobicContact CE-CG 3.36Å; M363-F389 HydrophobicContact CE-CZ 3.92Å; M363-F389 HydrophobicContact SD-CD1 4Å; M363-F389 HydrophobicContact SD-CE1 4.3Å; M363-F389 HydrophobicContact SD-CG 4.12Å; F389-A391 HydrophobicContact CE1-CB 4.19Å; F389-L863 HydrophobicContact CE2-CD2 4.17Å; F389-L863 HydrophobicContact CZ-CD2 3.82Å; F389-L866 HydrophobicContact CE1-CD1 3.76Å; F389-L866 HydrophobicContact CZ-CD1 3.84Å; F389-L893 HydrophobicContact CD2-CD2 3.81Å; F389-L893 HydrophobicContact CE2-CD2 3.97Å |
| 390 | D | 96.2 | Very high | 88.5 | Confident | 18 Ų | 18 | 34 Ų | 34 | 10% | 0.096 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.4 | 170.3 | 81.1 | 98.4 | 0 | 0 | 0 | 112.3 | L154 V155 R286 L290 L392 R895 | L154-D390 CarbonylContact O-C 3.48Å; L154-D390 WeakPolarHBondContact O-CA 3.46Å; V155-D390 HydrophobicContact CG1-CB 3.76Å; R286-D390 IonicContact CZ-OD1 3.17Å; R286-D390 IonicContact CZ-OD2 2.81Å; R286-D390 IonicContact NE-OD1 3.32Å; R286-D390 IonicContact NE-OD2 2.86Å; R286-D390 PolarHBondContact NE-OD2 2.92Å; R286-D390 VanDerWaalsContact NH2-CG 3.32Å; R286-D390 IonicContact NH2-OD1 3.33Å; R286-D390 PolarHBondContact NH2-OD1 3.36Å; R286-D390 IonicContact NH2-OD2 3.8Å; R286-D390 PolarHBondContact NH2-OD2 2.87Å; L290-D390 HydrophobicContact CD1-CB 4.19Å; D390-L392 HydrophobicContact CB-CD1 4.4Å; D390-L392 HydrophobicContact CB-CG 4.18Å; D390-L392 PolarHBondContact OD1-N 3.42Å; D390-R895 PolarHBondContact O-NH1 3.22Å |
| 391 | A | 96.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -125.7 | 36.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L154 M360 F389 D393 C394 L866 | L154-A391 HydrophobicContact CD2-CB 4.12Å; L154-A391 PolarHBondContact O-N 3.38Å; M360-A391 HydrophobicContact SD-CB 3.95Å; F389-A391 HydrophobicContact CE1-CB 4.19Å; A391-D393 PolarHBondContact O-N 3.2Å; A391-D393 VanDerWaalsContact O-N 3.09Å; A391-C394 VanDerWaalsContact O-CB 3.29Å; A391-C394 WeakPolarHBondContact O-CB 3.48Å; A391-C394 PolarHBondContact O-N 3.18Å; A391-C394 PolarHBondContact O-SG 2.97Å; A391-L866 HydrophobicContact CB-CD1 3.71Å; A391-L866 HydrophobicContact CB-CD2 3.72Å; A391-L866 HydrophobicContact CB-CG 4.2Å | ||
| 392 | L | 94.8 | Very high | 86.6 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -60.9 | -20.3 | -179.9 | -66.9 | 173.2 | 0 | 0 | 0 | 112.2 | L154 V155 L345 T348 V349 D390 C394 L395 | L154-L392 HydrophobicContact CB-CD2 3.95Å; L154-L392 HydrophobicContact CD1-CD2 4.47Å; V155-L392 HydrophobicContact CG1-CD1 4.48Å; V155-L392 HydrophobicContact CG1-CD2 4.44Å; V155-L392 HydrophobicContact CG1-CG 4.4Å; L345-L392 HydrophobicContact CD1-CD1 3.26Å; T348-L392 HydrophobicContact CG2-CD2 3.96Å; V349-L392 HydrophobicContact CG2-CD1 4.31Å; D390-L392 HydrophobicContact CB-CD1 4.4Å; D390-L392 HydrophobicContact CB-CG 4.18Å; D390-L392 PolarHBondContact OD1-N 3.42Å; L392-C394 PolarHBondContact O-N 3.02Å; L392-L395 HydrophobicContact CD2-CD1 4.12Å; L392-L395 WeakPolarHBondContact O-CB 3.32Å; L392-L395 PolarHBondContact O-N 3.49Å |
| 393 | D | 92.8 | Very high | 86 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -58.4 | -7.8 | 166.2 | 51.9 | -101.4 | 0 | 0 | 0 | 115.2 | A391 K870 R895 | A391-D393 PolarHBondContact O-N 3.2Å; A391-D393 VanDerWaalsContact O-N 3.09Å; D393-K870 WeakPolarHBondContact O-CE 3.45Å; D393-K870 WeakPolarHBondContact OD2-CE 3.32Å; D393-K870 IonicContact OD2-NZ 2.71Å; D393-K870 PolarHBondContact OD2-NZ 3.28Å; D393-R895 IonicContact OD1-CZ 2.91Å; D393-R895 IonicContact OD1-NH1 2.98Å; D393-R895 PolarHBondContact OD1-NH1 2.92Å; D393-R895 IonicContact OD1-NH2 3.92Å; D393-R895 PolarHBondContact OD1-NH2 2.75Å; D393-R895 IonicContact OD2-CZ 3.54Å; D393-R895 IonicContact OD2-NH1 3.4Å; D393-R895 IonicContact OD2-NH2 2.98Å; D393-R895 PolarHBondContact OD2-NH2 2.9Å |
| 394 | C | 94.6 | Very high | 85.7 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -80.7 | -18.7 | 169.4 | -61 | 0 | 0 | 0 | 0 | 113.3 | L154 A391 L392 F422 | L154-C394 HydrophobicContact CD1-CB 4.17Å; L154-C394 HydrophobicContact CD2-CB 3.89Å; A391-C394 VanDerWaalsContact O-CB 3.29Å; A391-C394 WeakPolarHBondContact O-CB 3.48Å; A391-C394 PolarHBondContact O-N 3.18Å; A391-C394 PolarHBondContact O-SG 2.97Å; L392-C394 PolarHBondContact O-N 3.02Å; C394-F422 HydrophobicContact CB-CE1 4.1Å; C394-F422 HydrophobicContact CB-CZ 4.08Å |
| 395 | L | 91.2 | Very high | 85.7 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -72 | 154.2 | 177 | -64 | 176.6 | 0 | 0 | 0 | 110.9 | L154 W311 T348 L392 V421 F422 R876 | L154-L395 HydrophobicContact CD1-CD1 4.25Å; L154-L395 HydrophobicContact CD1-CD2 3.62Å; L154-L395 HydrophobicContact CD1-CG 3.59Å; W311-L395 HydrophobicContact CH2-CD1 4.46Å; W311-L395 HydrophobicContact CH2-CD2 4.1Å; W311-L395 HydrophobicContact CZ2-CD2 3.99Å; T348-L395 HydrophobicContact CG2-CD1 3.57Å; L392-L395 HydrophobicContact CD2-CD1 4.12Å; L392-L395 WeakPolarHBondContact O-CB 3.32Å; L392-L395 PolarHBondContact O-N 3.49Å; L395-V421 HydrophobicContact CD2-CG1 4.33Å; L395-F422 HydrophobicContact CD2-CE1 4.48Å; L395-R876 PolarHBondContact O-NH1 2.87Å |
| 396 | P | 80.1 | Confident | 85.7 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 20% | 0.201 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 144.2 | 168.1 | -25.7 | 35.7 | 0 | 0 | 0 | 112.6 | E400 L402 R876 | P396-E400 HydrophobicContact CB-CB 3.7Å; P396-E400 WeakPolarHBondContact CB-OE2 3.4Å; P396-L402 HydrophobicContact CB-CD2 4.34Å; P396-L402 HydrophobicContact CG-CD2 4.41Å; P396-R876 VanDerWaalsContact CA-NH1 3.33Å |
| 397 | E | 72.4 | Confident | 85.5 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 167.4 | 175.8 | -71.3 | -165.7 | 171.8 | 0 | 0 | 111.9 | G399 E400 P877 S879 | E397-G399 PolarHBondContact O-N 3.12Å; E397-E400 PolarHBondContact O-N 2.94Å; E397-E400 VanDerWaalsContact O-N 3.07Å; E397-P877 WeakPolarHBondContact OE1-CG 3.45Å; E397-P877 WeakPolarHBondContact OE2-CG 3.43Å; E397-S879 PolarHBondContact OE1-OG 3.16Å; E397-S879 VanDerWaalsContact OE1-OG 3.06Å |
| 398 | D | 58 | Low | 85.4 | Confident | 176 Ų | 176 | 57.3 Ų | 57.3 | 94% | 0.941 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 119.4 | -179.2 | -67.3 | -31.2 | 0 | 0 | 0 | 112.3 | ||
| 399 | G | 54 | Low | 85.3 | Confident | 86 Ų | 86 | 58 Ų | 58 | 89% | 0.887 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | -12.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E397 | E397-G399 PolarHBondContact O-N 3.12Š|
| 400 | E | 64.5 | Low | 85.2 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -83.3 | 148.5 | 163.9 | -67.6 | -171.2 | 163.2 | 0 | 0 | 110.7 | P396 E397 L402 R876 | P396-E400 HydrophobicContact CB-CB 3.7Å; P396-E400 WeakPolarHBondContact CB-OE2 3.4Å; E397-E400 PolarHBondContact O-N 2.94Å; E397-E400 VanDerWaalsContact O-N 3.07Å; E400-L402 PolarHBondContact O-N 2.9Å; E400-L402 VanDerWaalsContact O-N 3.14Å; E400-R876 IonicContact OE2-CZ 2.94Å; E400-R876 IonicContact OE2-NE 3.44Å |
| 401 | L | 67.7 | Low | 85.1 | Confident | 172 Ų | 172 | 68.4 Ų | 68.4 | 90% | 0.901 | 38% | 0.384 | S | S | * | . | trans | -69.9 | 111.8 | 178.8 | -75.5 | 161.9 | 0 | 0 | 0 | 109.7 | ||||
| 402 | L | 82.1 | Confident | 85 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 151 | 167.2 | -65.6 | 170.8 | 0 | 0 | 0 | 110.1 | W311 P396 E400 | W311-L402 HydrophobicContact CE3-CB 4.33Å; W311-L402 HydrophobicContact CH2-CB 4.17Å; W311-L402 HydrophobicContact CH2-CD2 3.92Å; W311-L402 HydrophobicContact CH2-CG 4.46Å; W311-L402 HydrophobicContact CZ3-CB 3.66Å; W311-L402 HydrophobicContact CZ3-CD1 4.02Å; W311-L402 HydrophobicContact CZ3-CD2 4.05Å; W311-L402 HydrophobicContact CZ3-CG 4.1Å; P396-L402 HydrophobicContact CB-CD2 4.34Å; P396-L402 HydrophobicContact CG-CD2 4.41Å; E400-L402 PolarHBondContact O-N 2.9Å; E400-L402 VanDerWaalsContact O-N 3.14Å |
| 403 | P | 85.6 | Confident | 85 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 14% | 0.143 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 140.7 | 175.9 | -24.4 | 33.4 | 0 | 0 | 0 | 112.5 | W311 C408 | W311-P403 HydrophobicContact CD2-CB 4.19Å; W311-P403 HydrophobicContact CH2-CG 4.33Å; W311-P403 HydrophobicContact CZ2-CB 4.27Å; W311-P403 HydrophobicContact CZ2-CG 3.78Å; P403-C408 WeakPolarHBondContact CB-SG 3.42Å |
| 404 | S | 90.6 | Very high | 85.2 | Confident | 38 Ų | 38 | 69.9 Ų | 69.9 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 159 | 171.7 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | E406 D407 C408 | S404-E406 PolarHBondContact O-N 3.27Å; S404-D407 WeakPolarHBondContact CB-OD2 3.46Å; S404-D407 PolarHBondContact N-OD2 3.03Å; S404-D407 PolarHBondContact O-N 2.98Å; S404-D407 VanDerWaalsContact O-N 3.09Å; S404-D407 PolarHBondContact OG-N 2.93Å; S404-D407 PolarHBondContact OG-OD2 3.02Å; S404-C408 PolarHBondContact O-N 2.84Å; S404-C408 VanDerWaalsContact O-N 3.16Å |
| 405 | P | 93.7 | Very high | 85.3 | Confident | 65 Ų | 65 | 71 Ų | 71 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -35 | 171 | -27.9 | 34.7 | 0 | 0 | 0 | 113.5 | W311 C408 A409 | W311-P405 HydrophobicContact CB-CG 4.3Å; W311-P405 WeakPolarHBondContact O-CG 3.43Å; P405-C408 PolarHBondContact O-N 2.98Å; P405-A409 PolarHBondContact O-N 2.95Å |
| 406 | E | 94.2 | Very high | 85.6 | Confident | 158 Ų | 158 | 71 Ų | 71 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -37.1 | 179.1 | -64.4 | 178.5 | -176.7 | 0 | 0 | 112.4 | S404 C408 R411 | S404-E406 PolarHBondContact O-N 3.27Å; E406-C408 VanDerWaalsContact C-N 3.28Å; E406-C408 PolarHBondContact O-N 3.38Å; E406-R411 PolarHBondContact O-NH2 3.21Å |
| 407 | D | 93.4 | Very high | 86.3 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33.3 | 175.7 | -66.2 | -50.8 | 0 | 0 | 0 | 111.9 | S404 G423 A424 | S404-D407 WeakPolarHBondContact CB-OD2 3.46Å; S404-D407 PolarHBondContact N-OD2 3.03Å; S404-D407 PolarHBondContact O-N 2.98Å; S404-D407 VanDerWaalsContact O-N 3.09Å; S404-D407 PolarHBondContact OG-N 2.93Å; S404-D407 PolarHBondContact OG-OD2 3.02Å; D407-G423 WeakPolarHBondContact O-CA 3.44Å; D407-A424 PolarHBondContact O-N 3.41Å |
| 408 | C | 95.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.4 | -176.5 | -66.3 | 0 | 0 | 0 | 0 | 114 | P310 W311 P403 S404 P405 E406 I419 | P310-C408 HydrophobicContact CB-CB 4.06Å; W311-C408 PolarHBondContact NE1-SG 2.96Å; W311-C408 VanDerWaalsContact NE1-SG 3.43Å; P403-C408 WeakPolarHBondContact CB-SG 3.42Å; S404-C408 PolarHBondContact O-N 2.84Å; S404-C408 VanDerWaalsContact O-N 3.16Å; P405-C408 PolarHBondContact O-N 2.98Å; E406-C408 VanDerWaalsContact C-N 3.28Å; E406-C408 PolarHBondContact O-N 3.38Å; C408-I419 WeakPolarHBondContact CA-O 3.26Å; C408-I419 PolarHBondContact SG-O 3.22Å; C408-I419 VanDerWaalsContact SG-O 3.38Å |
| 409 | A | 95 | Very high | 89.4 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -62.8 | 141 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P405 R411 | P405-A409 PolarHBondContact O-N 2.95Å; A409-R411 PolarHBondContact O-NE 3.4Å |
| 410 | P | 95.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 66% | 0.662 | 30% | 0.298 | S | S | * | . | trans | -60.8 | 144.5 | -179.6 | 25.8 | -34.4 | 0 | 0 | 0 | 111.3 | D416 | P410-D416 HydrophobicContact CB-CB 4.4Š| ||
| 411 | R | 95.3 | Very high | 92.9 | Very high | 143 Ų | 143 | 49.6 Ų | 49.6 | 54% | 0.54 | 28% | 0.277 | S | S | . | . | trans | -111.3 | 0.8 | -177 | -57.1 | -60.6 | 178 | 172.4 | -3.4 | 112.8 | E406 A409 D416 I419 | E406-R411 PolarHBondContact O-NH2 3.21Å; A409-R411 PolarHBondContact O-NE 3.4Å; R411-D416 VanDerWaalsContact N-CG 3.34Å; R411-D416 PolarHBondContact N-OD1 3.09Å; R411-D416 PolarHBondContact N-OD2 2.76Å; R411-I419 HydrophobicContact CG-CD1 4.07Å | ||
| 412 | G | 94.7 | Very high | 94.2 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 68 | 42.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D416 | G412-D416 WeakPolarHBondContact CA-OD2 3.37Å; G412-D416 PolarHBondContact N-OD2 3.15Å |
| 413 | S | 95 | Very high | 94.9 | Very high | 28 Ų | 28 | 38 Ų | 38 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -130 | 157 | -174.8 | 80.4 | 0 | 0 | 0 | 0 | 111.1 | Y415 D416 | S413-Y415 PolarHBondContact O-N 3.01Å; S413-Y415 PolarHBondContact OG-N 3.39Å; S413-D416 PolarHBondContact N-OD1 3.29Å; S413-D416 VanDerWaalsContact N-OD1 3.16Å; S413-D416 PolarHBondContact N-OD2 2.92Å; S413-D416 WeakPolarHBondContact O-CB 3.37Å; S413-D416 PolarHBondContact O-N 2.89Å; S413-D416 PolarHBondContact OG-OD1 3.14Å |
| 414 | R | 95.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -11.7 | 175 | 68.4 | -179.7 | -56.2 | 153.7 | 10 | 114.6 | L72 A73 L503 N504 | L72-R414 CarbonylContact C-O 3.39Å; L72-R414 HydrophobicContact CB-CB 3.71Å; L72-R414 HydrophobicContact CD1-CB 4Å; A73-R414 VanDerWaalsContact CA-O 3.22Å; A73-R414 WeakPolarHBondContact CA-O 3.32Å; A73-R414 WeakPolarHBondContact CB-O 3.12Å; A73-R414 PolarHBondContact N-O 3.34Å; A73-R414 VanDerWaalsContact N-O 3.08Å; R414-L503 PolarHBondContact NH1-O 3.37Å; R414-L503 PolarHBondContact NH2-O 3.34Å; R414-N504 VanDerWaalsContact NH1-CA 3.34Å; R414-N504 VanDerWaalsContact NH1-CG 3.34Å; R414-N504 PolarHBondContact NH1-OD1 3.4Å; R414-N504 VanDerWaalsContact NH1-OD1 3.14Å |
| 415 | Y | 97.1 | Very high | 95.5 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.8 | -179.6 | -52.8 | -62.6 | 0 | 0 | 0 | 113 | S413 G417 Q418 I419 Q427 G455 A458 N504 | S413-Y415 PolarHBondContact O-N 3.01Å; S413-Y415 PolarHBondContact OG-N 3.39Å; Y415-G417 PolarHBondContact O-N 3.34Å; Y415-G417 VanDerWaalsContact O-N 3.17Å; Y415-Q418 WeakPolarHBondContact O-CA 3.46Å; Y415-Q418 PolarHBondContact O-N 3.43Å; Y415-I419 WeakPolarHBondContact O-CG1 3.19Å; Y415-I419 PolarHBondContact O-N 3.05Å; Y415-Q427 HydrophobicContact CD2-CG 4.19Å; Y415-Q427 HydrophobicContact CG-CG 4Å; Y415-G455 WeakPolarHBondContact OH-CA 3.39Å; Y415-A458 WeakPolarHBondContact OH-CB 3.46Å; Y415-N504 PolarHBondContact OH-ND2 3.47Å |
| 416 | D | 97.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.7 | -36.4 | -174.1 | -75.8 | 0.6 | 0 | 0 | 0 | 112.5 | P410 R411 G412 S413 Q418 I419 A420 | P410-D416 HydrophobicContact CB-CB 4.4Å; R411-D416 VanDerWaalsContact N-CG 3.34Å; R411-D416 PolarHBondContact N-OD1 3.09Å; R411-D416 PolarHBondContact N-OD2 2.76Å; G412-D416 WeakPolarHBondContact CA-OD2 3.37Å; G412-D416 PolarHBondContact N-OD2 3.15Å; S413-D416 PolarHBondContact N-OD1 3.29Å; S413-D416 VanDerWaalsContact N-OD1 3.16Å; S413-D416 PolarHBondContact N-OD2 2.92Å; S413-D416 WeakPolarHBondContact O-CB 3.37Å; S413-D416 PolarHBondContact O-N 2.89Å; S413-D416 PolarHBondContact OG-OD1 3.14Å; D416-Q418 VanDerWaalsContact C-N 3.31Å; D416-Q418 PolarHBondContact O-N 3.04Å; D416-I419 PolarHBondContact O-N 3.18Å; D416-A420 WeakPolarHBondContact O-CB 3.44Å; D416-A420 PolarHBondContact O-N 3.11Å |
| 417 | G | 95.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -33.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G355 V356 Y415 | G355-G417 CarbonylContact C-O 3.5Å; G355-G417 WeakPolarHBondContact CA-O 3.47Å; V356-G417 PolarHBondContact N-O 2.82Å; V356-G417 CarbonylContact O-C 3.43Å; V356-G417 VanDerWaalsContact O-C 3.27Å; Y415-G417 PolarHBondContact O-N 3.34Å; Y415-G417 VanDerWaalsContact O-N 3.17Å |
| 418 | Q | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -84.8 | -37.5 | 178.2 | -175.1 | 167.8 | -54.4 | 0 | 0 | 112.2 | L357 Y415 D416 A420 V421 F422 V454 Y869 | L357-Q418 HydrophobicContact CD2-CB 4.1Å; L357-Q418 HydrophobicContact CD2-CG 3.85Å; Y415-Q418 WeakPolarHBondContact O-CA 3.46Å; Y415-Q418 PolarHBondContact O-N 3.43Å; D416-Q418 VanDerWaalsContact C-N 3.31Å; D416-Q418 PolarHBondContact O-N 3.04Å; Q418-A420 PolarHBondContact O-N 2.91Å; Q418-V421 PolarHBondContact O-N 2.88Å; Q418-F422 HydrophobicContact CG-CD2 4.04Å; Q418-F422 PolarHBondContact O-N 3.35Å; Q418-F422 VanDerWaalsContact O-N 3.1Å; Q418-V454 PolarHBondContact NE2-O 2.98Å; Q418-Y869 PolarHBondContact OE1-OH 2.88Å |
| 419 | I | 97.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -37.8 | 174 | -71.2 | 170.1 | 0 | 0 | 0 | 110.5 | C408 R411 Y415 D416 V421 F422 G423 A424 Q427 | C408-I419 WeakPolarHBondContact CA-O 3.26Å; C408-I419 PolarHBondContact SG-O 3.22Å; C408-I419 VanDerWaalsContact SG-O 3.38Å; R411-I419 HydrophobicContact CG-CD1 4.07Å; Y415-I419 WeakPolarHBondContact O-CG1 3.19Å; Y415-I419 PolarHBondContact O-N 3.05Å; D416-I419 PolarHBondContact O-N 3.18Å; I419-V421 PolarHBondContact O-N 3.38Å; I419-V421 VanDerWaalsContact O-N 3.09Å; I419-F422 PolarHBondContact O-N 3.29Å; I419-G423 VanDerWaalsContact O-CA 3.25Å; I419-G423 WeakPolarHBondContact O-CA 3.33Å; I419-G423 PolarHBondContact O-N 3.03Å; I419-A424 HydrophobicContact CG2-CB 4.38Å; I419-Q427 HydrophobicContact CD1-CG 4.41Å; I419-Q427 HydrophobicContact CG1-CB 4Å; I419-Q427 HydrophobicContact CG1-CG 4.19Å |
| 420 | A | 97 | Very high | 95.7 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -23.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P310 W311 D416 Q418 | P310-A420 HydrophobicContact CB-CB 4.13Å; P310-A420 HydrophobicContact CG-CB 3.81Å; W311-A420 PolarHBondContact NE1-O 2.84Å; D416-A420 WeakPolarHBondContact O-CB 3.44Å; D416-A420 PolarHBondContact O-N 3.11Å; Q418-A420 PolarHBondContact O-N 2.91Å |
| 421 | V | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -95.4 | -51.1 | 176.8 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | L154 W311 L357 L395 Q418 I419 | L154-V421 HydrophobicContact CD1-CG1 3.87Å; L154-V421 HydrophobicContact CG-CG1 4.01Å; W311-V421 VanDerWaalsContact CZ2-O 3.28Å; W311-V421 WeakPolarHBondContact CZ2-O 3.36Å; W311-V421 PolarHBondContact NE1-O 3.27Å; L357-V421 HydrophobicContact CD1-CG1 4.4Å; L357-V421 HydrophobicContact CD1-CG2 4.17Å; L357-V421 HydrophobicContact CD2-CB 4.3Å; L357-V421 HydrophobicContact CD2-CG2 3.93Å; L357-V421 HydrophobicContact CG-CG2 4.08Å; L395-V421 HydrophobicContact CD2-CG1 4.33Å; Q418-V421 PolarHBondContact O-N 2.88Å; I419-V421 PolarHBondContact O-N 3.38Å; I419-V421 VanDerWaalsContact O-N 3.09Å |
| 422 | F | 95.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 9% | 0.088 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -108.2 | -6.8 | -166.4 | -60.8 | -68.6 | 0 | 0 | 0 | 114.6 | L154 L357 C394 L395 Q418 I419 F426 Y869 | L154-F422 HydrophobicContact CD1-CE1 4.41Å; L154-F422 HydrophobicContact CD1-CZ 4.41Å; L154-F422 HydrophobicContact CD2-CZ 4.09Å; L357-F422 HydrophobicContact CD1-CE2 4.01Å; L357-F422 HydrophobicContact CD1-CZ 4.34Å; L357-F422 HydrophobicContact CD2-CD2 4.27Å; L357-F422 HydrophobicContact CD2-CE2 3.81Å; C394-F422 HydrophobicContact CB-CE1 4.1Å; C394-F422 HydrophobicContact CB-CZ 4.08Å; L395-F422 HydrophobicContact CD2-CE1 4.48Å; Q418-F422 HydrophobicContact CG-CD2 4.04Å; Q418-F422 PolarHBondContact O-N 3.35Å; Q418-F422 VanDerWaalsContact O-N 3.1Å; I419-F422 PolarHBondContact O-N 3.29Å; F422-F426 HydrophobicContact CB-CB 3.85Å; F422-F426 HydrophobicContact CB-CD1 3.3Å; F422-F426 HydrophobicContact CB-CE1 4.06Å; F422-F426 HydrophobicContact CB-CG 3.83Å; F422-F426 HydrophobicContact CD1-CD1 4.3Å; F422-F426 HydrophobicContact CD1-CE1 4.31Å; F422-F426 HydrophobicContact CD2-CD1 4.02Å; F422-F426 AromaticContact CD2-CE1 3.98Å; F422-F426 HydrophobicContact CD2-CE1 3.98Å; F422-F426 HydrophobicContact CE2-CE1 4.47Å; F422-F426 AromaticContact CG-CD1 3.65Å; F422-F426 HydrophobicContact CG-CD1 3.65Å; F422-F426 AromaticContact CG-CE1 3.88Å; F422-F426 HydrophobicContact CG-CE1 3.88Å; F422-F426 HydrophobicContact CG-CG 4.45Å; F422-F426 WeakPolarHBondContact O-CB 3.38Å; F422-Y869 HydrophobicContact CE2-CD1 4.19Å; F422-Y869 AromaticContact CE2-CD2 3.81Å; F422-Y869 HydrophobicContact CE2-CD2 3.81Å; F422-Y869 HydrophobicContact CE2-CE1 4.11Å; F422-Y869 AromaticContact CE2-CE2 3.71Å; F422-Y869 HydrophobicContact CE2-CE2 3.71Å; F422-Y869 HydrophobicContact CE2-CG 4.05Å; F422-Y869 AromaticContact CE2-CZ 3.86Å; F422-Y869 AromaticContact CZ-CD2 3.68Å; F422-Y869 HydrophobicContact CZ-CD2 3.68Å; F422-Y869 HydrophobicContact CZ-CE2 4.01Å; F422-Y869 AromaticContact CZ-CG 3.96Å; F422-Y869 HydrophobicContact CZ-CG 3.96Å |
| 423 | G | 95.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | 77.4 | 158.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D407 I419 G425 F426 Q427 | D407-G423 WeakPolarHBondContact O-CA 3.44Å; I419-G423 VanDerWaalsContact O-CA 3.25Å; I419-G423 WeakPolarHBondContact O-CA 3.33Å; I419-G423 PolarHBondContact O-N 3.03Å; G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.08Å; G423-F426 PolarHBondContact O-N 3.05Å; G423-Q427 PolarHBondContact O-N 3.08Å |
| 424 | A | 95.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 24% | 0.24 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -31.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | D407 I419 F426 Q427 E428 | D407-A424 PolarHBondContact O-N 3.41Å; I419-A424 HydrophobicContact CG2-CB 4.38Å; A424-F426 PolarHBondContact O-N 3.18Å; A424-Q427 WeakPolarHBondContact O-CB 3.35Å; A424-Q427 PolarHBondContact O-N 3.15Å; A424-E428 PolarHBondContact O-N 3.34Å |
| 425 | G | 93.9 | Very high | 96 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 50% | 0.495 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G423 K429 | G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.08Å; G425-K429 PolarHBondContact O-N 2.69Å |
| 426 | F | 94.5 | Very high | 96.1 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 11% | 0.114 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.6 | -39.3 | 175.1 | -179.3 | -105.8 | 0 | 0 | 0 | 111.9 | F422 G423 A424 E428 K429 L430 Y869 V872 | F422-F426 HydrophobicContact CB-CB 3.85Å; F422-F426 HydrophobicContact CB-CD1 3.3Å; F422-F426 HydrophobicContact CB-CE1 4.06Å; F422-F426 HydrophobicContact CB-CG 3.83Å; F422-F426 HydrophobicContact CD1-CD1 4.3Å; F422-F426 HydrophobicContact CD1-CE1 4.31Å; F422-F426 HydrophobicContact CD2-CD1 4.02Å; F422-F426 AromaticContact CD2-CE1 3.98Å; F422-F426 HydrophobicContact CD2-CE1 3.98Å; F422-F426 HydrophobicContact CE2-CE1 4.47Å; F422-F426 AromaticContact CG-CD1 3.65Å; F422-F426 HydrophobicContact CG-CD1 3.65Å; F422-F426 AromaticContact CG-CE1 3.88Å; F422-F426 HydrophobicContact CG-CE1 3.88Å; F422-F426 HydrophobicContact CG-CG 4.45Å; F422-F426 WeakPolarHBondContact O-CB 3.38Å; G423-F426 PolarHBondContact O-N 3.05Å; A424-F426 PolarHBondContact O-N 3.18Å; F426-E428 PolarHBondContact O-N 3.46Å; F426-K429 WeakPolarHBondContact O-CB 3.32Å; F426-K429 PolarHBondContact O-N 2.95Å; F426-L430 HydrophobicContact CD1-CD1 3.86Å; F426-L430 HydrophobicContact CD1-CG 4.44Å; F426-L430 HydrophobicContact CE1-CD1 3.45Å; F426-L430 VanDerWaalsContact CE1-CD1 3.45Å; F426-L430 HydrophobicContact CE1-CG 4.01Å; F426-L430 HydrophobicContact CZ-CD1 4.06Å; F426-L430 HydrophobicContact CZ-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CG 4.13Å; F426-L430 PolarHBondContact O-N 3.05Å; F426-Y869 AromaticContact CE1-CD1 3.63Å; F426-Y869 HydrophobicContact CE1-CD1 3.63Å; F426-Y869 HydrophobicContact CE1-CE1 4.24Å; F426-Y869 HydrophobicContact CE1-CG 4.33Å; F426-Y869 AromaticContact CZ-CD1 3.87Å; F426-Y869 HydrophobicContact CZ-CD1 3.87Å; F426-Y869 HydrophobicContact CZ-CG 4.38Å; F426-Y869 WeakPolarHBondContact CZ-O 3.28Å; F426-V872 HydrophobicContact CE2-CG1 4.35Å |
| 427 | Q | 96.5 | Very high | 96.1 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.7 | -41.3 | 173.7 | -170.6 | 59.3 | 35 | 0 | 0 | 111.9 | Y415 I419 G423 A424 K429 L430 S431 V454 | Y415-Q427 HydrophobicContact CD2-CG 4.19Å; Y415-Q427 HydrophobicContact CG-CG 4Å; I419-Q427 HydrophobicContact CD1-CG 4.41Å; I419-Q427 HydrophobicContact CG1-CB 4Å; I419-Q427 HydrophobicContact CG1-CG 4.19Å; G423-Q427 PolarHBondContact O-N 3.08Å; A424-Q427 WeakPolarHBondContact O-CB 3.35Å; A424-Q427 PolarHBondContact O-N 3.15Å; Q427-K429 PolarHBondContact O-N 3.28Å; Q427-L430 PolarHBondContact O-N 3.22Å; Q427-S431 PolarHBondContact O-N 3.46Å; Q427-S431 VanDerWaalsContact O-N 3.07Å; Q427-V454 PolarHBondContact NE2-O 2.9Å |
| 428 | E | 94.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 25.1 Ų | 25.1 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.1 | -176.6 | 65.2 | -161.4 | 0 | 0 | 111.7 | A424 F426 L430 S431 R432 R459 | A424-E428 PolarHBondContact O-N 3.34Å; F426-E428 PolarHBondContact O-N 3.46Å; E428-L430 PolarHBondContact O-N 3.43Å; E428-S431 PolarHBondContact O-N 2.9Å; E428-S431 PolarHBondContact O-OG 3.3Å; E428-R432 WeakPolarHBondContact O-CG 3.47Å; E428-R432 PolarHBondContact O-N 3.45Å; E428-R432 IonicContact OE1-CZ 3.15Å; E428-R432 IonicContact OE1-NE 3.81Å; E428-R432 PolarHBondContact OE1-NE 3.27Å; E428-R432 IonicContact OE1-NH2 3.3Å; E428-R432 PolarHBondContact OE1-NH2 3.35Å; E428-R459 VanDerWaalsContact CD-CZ 3.43Å; E428-R459 WeakPolarHBondContact OE1-CD 3.32Å; E428-R459 IonicContact OE1-CZ 3.67Å; E428-R459 IonicContact OE1-NE 2.71Å; E428-R459 PolarHBondContact OE1-NE 2.96Å; E428-R459 IonicContact OE1-NH1 2.91Å; E428-R459 PolarHBondContact OE1-NH1 2.95Å; E428-R459 IonicContact OE1-NH2 3.7Å; E428-R459 IonicContact OE2-CZ 3.31Å; E428-R459 IonicContact OE2-NE 3.18Å; E428-R459 PolarHBondContact OE2-NE 3.19Å; E428-R459 IonicContact OE2-NH1 3.42Å; E428-R459 IonicContact OE2-NH2 2.66Å; E428-R459 PolarHBondContact OE2-NH2 3.4Å |
| 429 | K | 94.7 | Very high | 96.1 | Very high | 110 Ų | 110 | 25.5 Ų | 25.5 | 48% | 0.478 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -60 | -44.1 | 176.5 | -70.9 | 177.7 | -179.5 | 179.2 | 0 | 112.1 | G425 F426 Q427 S431 R432 Q433 V872 | G425-K429 PolarHBondContact O-N 2.69Å; F426-K429 WeakPolarHBondContact O-CB 3.32Å; F426-K429 PolarHBondContact O-N 2.95Å; Q427-K429 PolarHBondContact O-N 3.28Å; K429-S431 VanDerWaalsContact C-N 3.34Å; K429-S431 PolarHBondContact O-N 3.3Å; K429-R432 PolarHBondContact O-N 3.27Å; K429-Q433 WeakPolarHBondContact O-CG 3.32Å; K429-Q433 PolarHBondContact O-NE2 2.96Å; K429-Q433 VanDerWaalsContact O-NE2 3.08Å; K429-V872 HydrophobicContact CB-CG1 4.34Å |
| 430 | L | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 175.2 | -79.1 | 166.2 | 0 | 0 | 0 | 111.9 | F426 Q427 E428 R432 Q433 L456 G457 Y869 V872 | F426-L430 HydrophobicContact CD1-CD1 3.86Å; F426-L430 HydrophobicContact CD1-CG 4.44Å; F426-L430 HydrophobicContact CE1-CD1 3.45Å; F426-L430 VanDerWaalsContact CE1-CD1 3.45Å; F426-L430 HydrophobicContact CE1-CG 4.01Å; F426-L430 HydrophobicContact CZ-CD1 4.06Å; F426-L430 HydrophobicContact CZ-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CG 4.13Å; F426-L430 PolarHBondContact O-N 3.05Å; Q427-L430 PolarHBondContact O-N 3.22Å; E428-L430 PolarHBondContact O-N 3.43Å; L430-R432 PolarHBondContact O-N 3.4Å; L430-R432 VanDerWaalsContact O-N 3.15Å; L430-Q433 WeakPolarHBondContact O-CG 3.23Å; L430-Q433 PolarHBondContact O-N 3.26Å; L430-L456 HydrophobicContact CD2-CD1 4.05Å; L430-G457 PolarHBondContact O-N 3.38Å; L430-Y869 HydrophobicContact CD1-CD1 4.19Å; L430-Y869 HydrophobicContact CD1-CE1 4.05Å; L430-V872 HydrophobicContact CD2-CB 4.01Å; L430-V872 HydrophobicContact CD2-CG1 3.83Å; L430-V872 HydrophobicContact CD2-CG2 3.99Å; L430-V872 HydrophobicContact CG-CG1 4.08Å |
| 431 | S | 96.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -20.5 | -177.5 | 76.7 | 0 | 0 | 0 | 0 | 114.5 | Q427 E428 K429 G455 G457 A458 R459 | Q427-S431 PolarHBondContact O-N 3.46Å; Q427-S431 VanDerWaalsContact O-N 3.07Å; E428-S431 PolarHBondContact O-N 2.9Å; E428-S431 PolarHBondContact O-OG 3.3Å; K429-S431 VanDerWaalsContact C-N 3.34Å; K429-S431 PolarHBondContact O-N 3.3Å; S431-G455 VanDerWaalsContact CA-O 3.27Å; S431-G455 WeakPolarHBondContact CA-O 3.18Å; S431-G457 CarbonylContact O-C 3.55Å; S431-G457 VanDerWaalsContact O-C 3.24Å; S431-G457 VanDerWaalsContact O-CA 3.24Å; S431-G457 WeakPolarHBondContact O-CA 3.32Å; S431-A458 PolarHBondContact O-N 3.37Å; S431-R459 PolarHBondContact O-N 2.9Å; S431-R459 WeakPolarHBondContact OG-CD 3.49Å; S431-R459 WeakPolarHBondContact OG-CG 3.47Å |
| 432 | R | 95.9 | Very high | 95.8 | Very high | 131 Ų | 131 | 26.1 Ų | 26.1 | 49% | 0.494 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.8 | -178.9 | -65.8 | 178.4 | -174.7 | -173.3 | 1.6 | 114.1 | E428 K429 L430 G462 | E428-R432 WeakPolarHBondContact O-CG 3.47Å; E428-R432 PolarHBondContact O-N 3.45Å; E428-R432 IonicContact OE1-CZ 3.15Å; E428-R432 IonicContact OE1-NE 3.81Å; E428-R432 PolarHBondContact OE1-NE 3.27Å; E428-R432 IonicContact OE1-NH2 3.3Å; E428-R432 PolarHBondContact OE1-NH2 3.35Å; K429-R432 PolarHBondContact O-N 3.27Å; L430-R432 PolarHBondContact O-N 3.4Å; L430-R432 VanDerWaalsContact O-N 3.15Å; R432-G462 WeakPolarHBondContact O-CA 3.35Å |
| 433 | Q | 96.6 | Very high | 95.8 | Very high | 37 Ų | 37 | 25.7 Ų | 25.7 | 17% | 0.173 | 14% | 0.14 | C | C | . | . | trans | -70.3 | 146.5 | -179 | -58.6 | -60.3 | -63.3 | 0 | 0 | 111.5 | K429 L430 Y435 L456 G457 G462 G463 D533 V872 | K429-Q433 WeakPolarHBondContact O-CG 3.32Å; K429-Q433 PolarHBondContact O-NE2 2.96Å; K429-Q433 VanDerWaalsContact O-NE2 3.08Å; L430-Q433 WeakPolarHBondContact O-CG 3.23Å; L430-Q433 PolarHBondContact O-N 3.26Å; Q433-Y435 HydrophobicContact CB-CD2 3.84Å; Q433-Y435 HydrophobicContact CB-CE2 4.02Å; Q433-Y435 HydrophobicContact CG-CE2 4.28Å; Q433-L456 HydrophobicContact CB-CD1 3.61Å; Q433-L456 HydrophobicContact CB-CG 4.42Å; Q433-L456 HydrophobicContact CG-CD1 3.77Å; Q433-G457 WeakPolarHBondContact O-CA 3.37Å; Q433-G462 CarbonylContact O-C 3.45Å; Q433-G462 WeakPolarHBondContact O-CA 3.48Å; Q433-G463 PolarHBondContact O-N 2.91Å; Q433-D533 VanDerWaalsContact CA-OD2 3.31Å; Q433-D533 WeakPolarHBondContact CA-OD2 3.38Å; Q433-D533 VanDerWaalsContact OE1-CB 3.32Å; Q433-V872 HydrophobicContact CG-CG1 3.9Å; Q433-V872 HydrophobicContact CG-CG2 3.91Å | ||
| 434 | H | 96.5 | Very high | 95.9 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 19% | 0.19 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.5 | 166.1 | -175.1 | -147.5 | 0 | 0 | 0 | 109.9 | G463 T465 H531 V532 D533 | H434-G463 VanDerWaalsContact CA-O 3.31Å; H434-G463 WeakPolarHBondContact CA-O 3.4Å; H434-G463 PolarHBondContact CD2-O 3.04Å; H434-T465 PolarHBondContact NE2-OG1 2.83Å; H434-H531 PolarHBondContact ND1-O 3.44Å; H434-V532 CarbonylContact O-C 3.5Å; H434-V532 WeakPolarHBondContact O-CA 3.5Å; H434-D533 PolarHBondContact N-OD2 2.86Å; H434-D533 PolarHBondContact O-N 2.89Å |
| 435 | Y | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.6 | -175.3 | -99.7 | -116 | 0 | 0 | 0 | 112.7 | Q433 L456 G463 L464 T465 D533 L560 L868 V871 V872 | Q433-Y435 HydrophobicContact CB-CD2 3.84Å; Q433-Y435 HydrophobicContact CB-CE2 4.02Å; Q433-Y435 HydrophobicContact CG-CE2 4.28Å; Y435-L456 HydrophobicContact CD1-CD2 4.04Å; Y435-L456 HydrophobicContact CD2-CD1 4.09Å; Y435-L456 HydrophobicContact CD2-CD2 4.09Å; Y435-L456 HydrophobicContact CD2-CG 4.36Å; Y435-L456 HydrophobicContact CE2-CD1 4.24Å; Y435-L456 HydrophobicContact CG-CD2 3.73Å; Y435-L456 HydrophobicContact CG-CG 4.44Å; Y435-G463 PolarHBondContact N-O 2.83Å; Y435-L464 WeakPolarHBondContact O-CA 3.32Å; Y435-T465 PolarHBondContact O-N 3.49Å; Y435-D533 HydrophobicContact CD2-CB 4.41Å; Y435-D533 HydrophobicContact CE2-CB 4.19Å; Y435-L560 HydrophobicContact CE1-CD1 4.47Å; Y435-L868 HydrophobicContact CD1-CD1 4.36Å; Y435-L868 HydrophobicContact CE1-CD1 3.56Å; Y435-L868 HydrophobicContact CE2-CD1 4.27Å; Y435-L868 WeakPolarHBondContact OH-CD1 3.33Å; Y435-V871 VanDerWaalsContact OH-CG1 3.26Å; Y435-V871 WeakPolarHBondContact OH-CG1 3.45Å; Y435-V872 HydrophobicContact CE2-CG2 4.33Å |
| 436 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.4 | 170.4 | 176 | 62.3 | 0 | 0 | 0 | 110.2 | V438 T465 V467 L516 F528 F529 V532 G534 V535 A536 | L436-V438 HydrophobicContact CD1-CG2 4.36Å; L436-V438 HydrophobicContact CD2-CG2 3.85Å; L436-V438 HydrophobicContact CG-CG2 3.77Å; L436-T465 WeakPolarHBondContact CA-O 3.41Å; L436-T465 HydrophobicContact CD1-CG2 3.95Å; L436-V467 HydrophobicContact CD1-CG2 3.7Å; L436-L516 HydrophobicContact CD2-CD1 4.45Å; L436-F528 HydrophobicContact CD1-CE1 3.94Å; L436-F528 HydrophobicContact CD1-CZ 3.65Å; L436-F528 HydrophobicContact CD2-CE1 3.66Å; L436-F528 HydrophobicContact CD2-CZ 4.27Å; L436-F528 HydrophobicContact CG-CE1 4.39Å; L436-F529 HydrophobicContact CD2-CE1 3.86Å; L436-F529 HydrophobicContact CD2-CZ 4.25Å; L436-V532 HydrophobicContact CB-CB 4.49Å; L436-V532 HydrophobicContact CB-CG1 4.15Å; L436-G534 PolarHBondContact N-O 2.83Å; L436-V535 HydrophobicContact CB-CG1 4.38Å; L436-V535 HydrophobicContact CB-CG2 4.22Å; L436-V535 HydrophobicContact CD2-CG1 4.09Å; L436-V535 HydrophobicContact CD2-CG2 4.14Å; L436-V535 HydrophobicContact CG-CG1 4.26Å; L436-V535 CarbonylContact O-C 3.53Å; L436-V535 WeakPolarHBondContact O-CA 3.43Å; L436-A536 PolarHBondContact O-N 3.49Å |
| 437 | L | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.2 | 166.2 | 178 | 65.9 | 0 | 0 | 0 | 109.6 | L447 L448 F451 T465 V466 V467 A536 A538 | L437-L447 HydrophobicContact CD1-CB 4.25Å; L437-L447 HydrophobicContact CD1-CD1 3.86Å; L437-L448 HydrophobicContact CD2-CD1 3.88Å; L437-L448 HydrophobicContact CD2-CD2 3.79Å; L437-L448 HydrophobicContact CD2-CG 3.4Å; L437-L448 VanDerWaalsContact CD2-CG 3.4Å; L437-F451 HydrophobicContact CD1-CE2 4.49Å; L437-T465 PolarHBondContact N-O 2.82Å; L437-V466 HydrophobicContact CB-CG2 4.4Å; L437-V466 HydrophobicContact CD2-CG1 4.32Å; L437-V466 HydrophobicContact CD2-CG2 4.39Å; L437-V466 WeakPolarHBondContact O-CA 3.26Å; L437-V467 PolarHBondContact O-N 2.95Å; L437-A536 WeakPolarHBondContact CA-O 3.1Å; L437-A536 HydrophobicContact CD1-CB 4Å; L437-A538 HydrophobicContact CD1-CB 4.2Å |
| 438 | V | 97.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.036 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 111.8 | 176 | -161.6 | 0 | 0 | 0 | 0 | 109.1 | L436 L516 V535 A536 A538 L539 V548 | L436-V438 HydrophobicContact CD1-CG2 4.36Å; L436-V438 HydrophobicContact CD2-CG2 3.85Å; L436-V438 HydrophobicContact CG-CG2 3.77Å; V438-L516 HydrophobicContact CG1-CB 4.26Å; V438-L516 HydrophobicContact CG1-CD1 4.43Å; V438-L516 HydrophobicContact CG1-CD2 4.37Å; V438-L516 HydrophobicContact CG2-CD1 4.39Å; V438-V535 HydrophobicContact CG2-CG1 4Å; V438-A536 PolarHBondContact N-O 2.92Å; V438-A538 PolarHBondContact O-N 2.83Å; V438-L539 HydrophobicContact CB-CD2 4.36Å; V438-L539 HydrophobicContact CG1-CD2 3.85Å; V438-V548 HydrophobicContact CB-CG2 4.39Å; V438-V548 HydrophobicContact CG1-CG2 4.09Å; V438-V548 HydrophobicContact CG2-CG1 4.35Å; V438-V548 HydrophobicContact CG2-CG2 4.25Å |
| 439 | G | 94.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 7% | 0.072 | 9% | 0.087 | C | C | . | . | trans | 99.2 | 122.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G444 V467 | G439-G444 WeakPolarHBondContact O-CA 3.4Å; G439-V467 PolarHBondContact N-O 2.88Å | ||
| 440 | A | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -111.2 | 23.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V466 D468 F483 K492 A496 | A440-V466 HydrophobicContact CB-CG1 3.92Å; A440-D468 VanDerWaalsContact CA-OD2 3.32Å; A440-D468 WeakPolarHBondContact CA-OD2 3.44Å; A440-D468 HydrophobicContact CB-CB 3.63Å; A440-D468 PolarHBondContact N-OD2 3.22Å; A440-F483 WeakPolarHBondContact O-CZ 3.35Å; A440-K492 HydrophobicContact CB-CB 4.03Å; A440-A496 HydrophobicContact CB-CB 4.09Å | ||
| 441 | G | 93.1 | Very high | 97 | Very high | 12 Ų | 12 | 13 Ų | 13 | 12% | 0.124 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -72.8 | -151 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G444 C445 D468 | G441-G444 PolarHBondContact O-N 2.92Å; G441-C445 WeakPolarHBondContact O-CB 3.24Å; G441-C445 PolarHBondContact O-N 3.36Å; G441-C445 PolarHBondContact O-SG 3.4Å; G441-C445 VanDerWaalsContact O-SG 3.35Å; G441-D468 PolarHBondContact N-OD2 3.37Å |
| 442 | A | 94 | Very high | 97.1 | Very high | 15 Ų | 15 | 12.6 Ų | 12.6 | 12% | 0.124 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.1 | -55.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G444 C445 E446 R479 Q480 T857 | A442-G444 VanDerWaalsContact C-N 3.31Å; A442-G444 PolarHBondContact O-N 3.17Å; A442-C445 PolarHBondContact O-N 2.93Å; A442-E446 PolarHBondContact O-N 3.39Å; A442-R479 HydrophobicContact CB-CB 4.39Å; A442-R479 HydrophobicContact CB-CG 3.79Å; A442-Q480 HydrophobicContact CB-CG 4.18Å; A442-T857 HydrophobicContact CB-CG2 3.72Å; A442-T857 WeakPolarHBondContact O-CG2 3.45Å |
| 443 | I | 96.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 6.4 Ų | 6.4 | 6% | 0.056 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 178.6 | -59.8 | 170.1 | 0 | 0 | 0 | 110.3 | C445 E446 L447 A538 A562 T564 T857 | I443-C445 PolarHBondContact O-N 2.65Å; I443-E446 PolarHBondContact O-N 3.05Å; I443-L447 HydrophobicContact CG2-CD1 3.85Å; I443-L447 HydrophobicContact CG2-CG 4.14Å; I443-L447 WeakPolarHBondContact O-CB 3.16Å; I443-L447 WeakPolarHBondContact O-CG 3.41Å; I443-L447 PolarHBondContact O-N 3.05Å; I443-A538 HydrophobicContact CB-CB 3.89Å; I443-A538 HydrophobicContact CG2-CB 3.84Å; I443-A562 HydrophobicContact CD1-CB 4.07Å; I443-A562 HydrophobicContact CG2-CB 3.78Å; I443-T564 HydrophobicContact CD1-CG2 3.94Å; I443-T564 HydrophobicContact CG1-CG2 4.21Å; I443-T857 HydrophobicContact CB-CG2 4.34Å; I443-T857 HydrophobicContact CG1-CG2 3.87Å |
| 444 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G439 G441 A442 L447 L448 | G439-G444 WeakPolarHBondContact O-CA 3.4Å; G441-G444 PolarHBondContact O-N 2.92Å; A442-G444 VanDerWaalsContact C-N 3.31Å; A442-G444 PolarHBondContact O-N 3.17Å; G444-L447 PolarHBondContact O-N 3.32Å; G444-L448 WeakPolarHBondContact O-CB 3.47Å; G444-L448 WeakPolarHBondContact O-CG 3.38Å; G444-L448 PolarHBondContact O-N 2.61Å |
| 445 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.3 | -75 | 0 | 0 | 0 | 0 | 112.3 | G441 A442 I443 L448 K449 F481 L482 | G441-C445 WeakPolarHBondContact O-CB 3.24Å; G441-C445 PolarHBondContact O-N 3.36Å; G441-C445 PolarHBondContact O-SG 3.4Å; G441-C445 VanDerWaalsContact O-SG 3.35Å; A442-C445 PolarHBondContact O-N 2.93Å; I443-C445 PolarHBondContact O-N 2.65Å; C445-L448 PolarHBondContact O-N 2.82Å; C445-K449 PolarHBondContact O-N 3.39Å; C445-K449 VanDerWaalsContact O-N 3.08Å; C445-F481 HydrophobicContact CB-CD1 4.5Å; C445-L482 HydrophobicContact CB-CB 4.45Å; C445-L482 HydrophobicContact CB-CD1 3.97Å; C445-L482 HydrophobicContact CB-CG 3.91Å |
| 446 | E | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 178.1 | -68.2 | -64.4 | 159.5 | 0 | 0 | 112.2 | K49 A442 I443 K449 V450 F481 T857 A858 A861 | K49-E446 IonicContact NZ-OE1 2.66Å; K49-E446 PolarHBondContact NZ-OE1 2.97Å; K49-E446 IonicContact NZ-OE2 3.63Å; A442-E446 PolarHBondContact O-N 3.39Å; I443-E446 PolarHBondContact O-N 3.05Å; E446-K449 WeakPolarHBondContact O-CB 3.48Å; E446-K449 PolarHBondContact O-N 3.1Å; E446-K449 WeakPolarHBondContact OE2-CE 3.44Å; E446-K449 IonicContact OE2-NZ 3.62Å; E446-K449 PolarHBondContact OE2-NZ 3.33Å; E446-V450 WeakPolarHBondContact O-CG2 3.47Å; E446-V450 PolarHBondContact O-N 3.07Å; E446-F481 WeakPolarHBondContact OE1-CD1 3.35Å; E446-T857 HydrophobicContact CB-CG2 4.49Å; E446-T857 HydrophobicContact CG-CG2 3.83Å; E446-A858 HydrophobicContact CG-CB 4.29Å; E446-A861 HydrophobicContact CB-CB 3.42Å; E446-A861 VanDerWaalsContact CB-CB 3.42Å |
| 447 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -65 | -41 | 174.4 | -74.3 | 175.5 | 0 | 0 | 0 | 111.9 | L437 I443 G444 K449 V450 F451 A536 A538 A861 L864 | L437-L447 HydrophobicContact CD1-CB 4.25Å; L437-L447 HydrophobicContact CD1-CD1 3.86Å; I443-L447 HydrophobicContact CG2-CD1 3.85Å; I443-L447 HydrophobicContact CG2-CG 4.14Å; I443-L447 WeakPolarHBondContact O-CB 3.16Å; I443-L447 WeakPolarHBondContact O-CG 3.41Å; I443-L447 PolarHBondContact O-N 3.05Å; G444-L447 PolarHBondContact O-N 3.32Å; L447-K449 VanDerWaalsContact C-N 3.32Å; L447-K449 PolarHBondContact O-N 3.3Å; L447-V450 PolarHBondContact O-N 3.38Å; L447-F451 HydrophobicContact CB-CE2 4.3Å; L447-F451 HydrophobicContact CB-CZ 4.19Å; L447-F451 HydrophobicContact CD2-CE1 4.35Å; L447-F451 HydrophobicContact CD2-CZ 4.35Å; L447-F451 WeakPolarHBondContact O-CB 3.3Å; L447-F451 WeakPolarHBondContact O-CD1 3.48Å; L447-F451 WeakPolarHBondContact O-CG 3.28Å; L447-F451 PolarHBondContact O-N 3.46Å; L447-A536 HydrophobicContact CD1-CB 4.23Å; L447-A538 HydrophobicContact CD1-CB 4.3Å; L447-A861 HydrophobicContact CD2-CB 4.08Å; L447-A861 HydrophobicContact CG-CB 4.26Å; L447-L864 HydrophobicContact CD1-CD1 4.22Å; L447-L864 HydrophobicContact CD2-CB 3.97Å; L447-L864 HydrophobicContact CD2-CD1 4.14Å |
| 448 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 174.9 | -80.5 | 171.2 | 0 | 0 | 0 | 112.6 | L437 G444 C445 F451 A452 L464 V466 L482 A496 A500 | L437-L448 HydrophobicContact CD2-CD1 3.88Å; L437-L448 HydrophobicContact CD2-CD2 3.79Å; L437-L448 HydrophobicContact CD2-CG 3.4Å; L437-L448 VanDerWaalsContact CD2-CG 3.4Å; G444-L448 WeakPolarHBondContact O-CB 3.47Å; G444-L448 WeakPolarHBondContact O-CG 3.38Å; G444-L448 PolarHBondContact O-N 2.61Å; C445-L448 PolarHBondContact O-N 2.82Å; L448-F451 PolarHBondContact O-N 3.46Å; L448-A452 VanDerWaalsContact O-CB 3.24Å; L448-A452 WeakPolarHBondContact O-CB 3.43Å; L448-A452 PolarHBondContact O-N 2.88Å; L448-L464 HydrophobicContact CD2-CD1 4.3Å; L448-V466 HydrophobicContact CD1-CG1 4.34Å; L448-V466 HydrophobicContact CD1-CG2 4.09Å; L448-V466 HydrophobicContact CD2-CG2 3.73Å; L448-V466 HydrophobicContact CG-CG2 4.44Å; L448-L482 HydrophobicContact CB-CD1 4.08Å; L448-L482 HydrophobicContact CD1-CD1 4.28Å; L448-A496 HydrophobicContact CD1-CB 3.68Å; L448-A500 HydrophobicContact CB-CB 4.49Å; L448-A500 HydrophobicContact CD2-CB 4.38Å |
| 449 | K | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 171.9 | -177.9 | -158 | 72.5 | -171.6 | 0 | 110.6 | E46 F76 C445 E446 L447 A452 L453 F481 L503 | E46-K449 IonicContact OE1-NZ 2.73Å; E46-K449 PolarHBondContact OE1-NZ 3.42Å; E46-K449 IonicContact OE2-NZ 2.86Å; E46-K449 PolarHBondContact OE2-NZ 3.05Å; F76-K449 HydrophobicContact CB-CD 4.31Å; F76-K449 HydrophobicContact CB-CG 3.99Å; F76-K449 HydrophobicContact CD1-CD 3.72Å; F76-K449 HydrophobicContact CD1-CG 4.31Å; F76-K449 HydrophobicContact CE1-CD 4.19Å; F76-K449 HydrophobicContact CG-CD 3.92Å; F76-K449 HydrophobicContact CG-CG 4.14Å; C445-K449 PolarHBondContact O-N 3.39Å; C445-K449 VanDerWaalsContact O-N 3.08Å; E446-K449 WeakPolarHBondContact O-CB 3.48Å; E446-K449 PolarHBondContact O-N 3.1Å; E446-K449 WeakPolarHBondContact OE2-CE 3.44Å; E446-K449 IonicContact OE2-NZ 3.62Å; E446-K449 PolarHBondContact OE2-NZ 3.33Å; L447-K449 VanDerWaalsContact C-N 3.32Å; L447-K449 PolarHBondContact O-N 3.3Å; K449-A452 PolarHBondContact O-N 3.16Å; K449-L453 HydrophobicContact CG-CD1 4.1Å; K449-L453 VanDerWaalsContact O-CG 3.31Å; K449-L453 WeakPolarHBondContact O-CG 3.12Å; K449-L453 PolarHBondContact O-N 2.84Å; K449-F481 HydrophobicContact CB-CE1 4.08Å; K449-F481 HydrophobicContact CB-CZ 3.74Å; K449-F481 HydrophobicContact CD-CE1 4.01Å; K449-F481 HydrophobicContact CD-CE2 4.48Å; K449-F481 HydrophobicContact CD-CZ 3.57Å; K449-F481 HydrophobicContact CG-CE1 4.4Å; K449-F481 HydrophobicContact CG-CZ 3.74Å; K449-L503 HydrophobicContact CB-CD1 4.23Å; K449-L503 HydrophobicContact CG-CD1 4.23Å |
| 450 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.9 | -51.1 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | P359 A362 E446 L447 A452 L453 V454 | P359-V450 HydrophobicContact CG-CG1 3.99Å; A362-V450 HydrophobicContact CB-CG2 4.4Å; E446-V450 WeakPolarHBondContact O-CG2 3.47Å; E446-V450 PolarHBondContact O-N 3.07Å; L447-V450 PolarHBondContact O-N 3.38Å; V450-A452 VanDerWaalsContact C-N 3.29Å; V450-A452 PolarHBondContact O-N 2.82Å; V450-L453 PolarHBondContact O-N 3.28Å; V450-V454 HydrophobicContact CG1-CG1 4.16Å; V450-V454 WeakPolarHBondContact O-CG1 3.23Å; V450-V454 WeakPolarHBondContact O-CG2 3.36Å; V450-V454 PolarHBondContact O-N 3.03Å |
| 451 | F | 98.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.6 | -40.2 | 180 | -64.6 | -10.7 | 0 | 0 | 0 | 112.3 | L437 L447 L448 G455 L456 L464 A536 L868 | L437-F451 HydrophobicContact CD1-CE2 4.49Å; L447-F451 HydrophobicContact CB-CE2 4.3Å; L447-F451 HydrophobicContact CB-CZ 4.19Å; L447-F451 HydrophobicContact CD2-CE1 4.35Å; L447-F451 HydrophobicContact CD2-CZ 4.35Å; L447-F451 WeakPolarHBondContact O-CB 3.3Å; L447-F451 WeakPolarHBondContact O-CD1 3.48Å; L447-F451 WeakPolarHBondContact O-CG 3.28Å; L447-F451 PolarHBondContact O-N 3.46Å; L448-F451 PolarHBondContact O-N 3.46Å; F451-G455 PolarHBondContact O-N 2.94Å; F451-G455 VanDerWaalsContact O-N 3.09Å; F451-L456 HydrophobicContact CB-CB 4.1Å; F451-L456 HydrophobicContact CB-CD2 4.16Å; F451-L456 HydrophobicContact CD1-CD2 3.66Å; F451-L456 HydrophobicContact CD2-CD2 4Å; F451-L456 HydrophobicContact CE1-CD2 4.02Å; F451-L456 HydrophobicContact CE2-CD2 4.31Å; F451-L456 HydrophobicContact CG-CB 4.48Å; F451-L456 HydrophobicContact CG-CD2 3.66Å; F451-L456 HydrophobicContact CZ-CD2 4.33Å; F451-L456 PolarHBondContact O-N 3.44Å; F451-L464 HydrophobicContact CB-CD1 4.03Å; F451-L464 HydrophobicContact CD2-CD2 4.1Å; F451-A536 HydrophobicContact CE2-CB 4.19Å; F451-A536 HydrophobicContact CZ-CB 3.79Å; F451-L868 HydrophobicContact CD1-CD2 3.86Å; F451-L868 HydrophobicContact CE1-CD2 3.81Å |
| 452 | A | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L448 K449 V450 G455 L503 N504 L507 | L448-A452 VanDerWaalsContact O-CB 3.24Å; L448-A452 WeakPolarHBondContact O-CB 3.43Å; L448-A452 PolarHBondContact O-N 2.88Å; K449-A452 PolarHBondContact O-N 3.16Å; V450-A452 VanDerWaalsContact C-N 3.29Å; V450-A452 PolarHBondContact O-N 2.82Å; A452-G455 PolarHBondContact O-N 2.79Å; A452-L503 HydrophobicContact CB-CB 3.93Å; A452-L503 HydrophobicContact CB-CD1 4.3Å; A452-N504 HydrophobicContact CB-CB 4.14Å; A452-N504 PolarHBondContact O-ND2 3.13Å; A452-L507 HydrophobicContact CB-CD1 3.56Å |
| 453 | L | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.2 | -39.8 | -178.3 | -69.2 | 175.3 | 0 | 0 | 0 | 112.4 | F76 S358 K449 V450 G455 | F76-L453 HydrophobicContact CB-CD1 4.08Å; F76-L453 HydrophobicContact CB-CD2 4.33Å; S358-L453 WeakPolarHBondContact OG-CD1 3.43Å; K449-L453 HydrophobicContact CG-CD1 4.1Å; K449-L453 VanDerWaalsContact O-CG 3.31Å; K449-L453 WeakPolarHBondContact O-CG 3.12Å; K449-L453 PolarHBondContact O-N 2.84Å; V450-L453 PolarHBondContact O-N 3.28Å; L453-G455 PolarHBondContact O-N 3.09Å |
| 454 | V | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -74.9 | -12.8 | 176.3 | -54 | 0 | 0 | 0 | 0 | 113 | P359 Q418 Q427 V450 L456 L868 Y869 | P359-V454 HydrophobicContact CG-CG1 4.09Å; Q418-V454 PolarHBondContact NE2-O 2.98Å; Q427-V454 PolarHBondContact NE2-O 2.9Å; V450-V454 HydrophobicContact CG1-CG1 4.16Å; V450-V454 WeakPolarHBondContact O-CG1 3.23Å; V450-V454 WeakPolarHBondContact O-CG2 3.36Å; V450-V454 PolarHBondContact O-N 3.03Å; V454-L456 HydrophobicContact CG2-CB 4.02Å; V454-L868 HydrophobicContact CG2-CD2 4.25Å; V454-Y869 HydrophobicContact CB-CE1 4.33Å; V454-Y869 HydrophobicContact CG1-CE1 4.14Å; V454-Y869 WeakPolarHBondContact CG1-OH 3.45Å |
| 455 | G | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 31.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y415 S431 F451 A452 L453 G457 A458 | Y415-G455 WeakPolarHBondContact OH-CA 3.39Å; S431-G455 VanDerWaalsContact CA-O 3.27Å; S431-G455 WeakPolarHBondContact CA-O 3.18Å; F451-G455 PolarHBondContact O-N 2.94Å; F451-G455 VanDerWaalsContact O-N 3.09Å; A452-G455 PolarHBondContact O-N 2.79Å; L453-G455 PolarHBondContact O-N 3.09Å; G455-G457 PolarHBondContact O-N 2.8Å; G455-A458 WeakPolarHBondContact O-CB 3.38Å; G455-A458 PolarHBondContact O-N 2.71Å |
| 456 | L | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 115.3 | 178.6 | -174 | 70.3 | 0 | 0 | 0 | 110.1 | L430 Q433 Y435 F451 V454 A458 L464 L507 L868 V872 | L430-L456 HydrophobicContact CD2-CD1 4.05Å; Q433-L456 HydrophobicContact CB-CD1 3.61Å; Q433-L456 HydrophobicContact CB-CG 4.42Å; Q433-L456 HydrophobicContact CG-CD1 3.77Å; Y435-L456 HydrophobicContact CD1-CD2 4.04Å; Y435-L456 HydrophobicContact CD2-CD1 4.09Å; Y435-L456 HydrophobicContact CD2-CD2 4.09Å; Y435-L456 HydrophobicContact CD2-CG 4.36Å; Y435-L456 HydrophobicContact CE2-CD1 4.24Å; Y435-L456 HydrophobicContact CG-CD2 3.73Å; Y435-L456 HydrophobicContact CG-CG 4.44Å; F451-L456 HydrophobicContact CB-CB 4.1Å; F451-L456 HydrophobicContact CB-CD2 4.16Å; F451-L456 HydrophobicContact CD1-CD2 3.66Å; F451-L456 HydrophobicContact CD2-CD2 4Å; F451-L456 HydrophobicContact CE1-CD2 4.02Å; F451-L456 HydrophobicContact CE2-CD2 4.31Å; F451-L456 HydrophobicContact CG-CB 4.48Å; F451-L456 HydrophobicContact CG-CD2 3.66Å; F451-L456 HydrophobicContact CZ-CD2 4.33Å; F451-L456 PolarHBondContact O-N 3.44Å; V454-L456 HydrophobicContact CG2-CB 4.02Å; L456-A458 VanDerWaalsContact C-N 3.34Å; L456-L464 HydrophobicContact CD2-CD2 3.96Å; L456-L464 HydrophobicContact CG-CD2 4.19Å; L456-L507 WeakPolarHBondContact O-CD2 3.41Å; L456-L868 HydrophobicContact CD1-CD1 4.22Å; L456-L868 HydrophobicContact CD1-CD2 4.33Å; L456-L868 HydrophobicContact CD2-CD1 4.19Å; L456-L868 HydrophobicContact CD2-CD2 3.97Å; L456-V872 HydrophobicContact CD1-CG2 4.45Å |
| 457 | G | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 22.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L430 S431 Q433 G455 R459 | L430-G457 PolarHBondContact O-N 3.38Å; S431-G457 CarbonylContact O-C 3.55Å; S431-G457 VanDerWaalsContact O-C 3.24Å; S431-G457 VanDerWaalsContact O-CA 3.24Å; S431-G457 WeakPolarHBondContact O-CA 3.32Å; Q433-G457 WeakPolarHBondContact O-CA 3.37Å; G455-G457 PolarHBondContact O-N 2.8Å; G457-R459 PolarHBondContact O-N 3.49Å |
| 458 | A | 93.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 10% | 0.099 | 11% | 0.111 | C | C | . | . | trans | -76.4 | 3.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y415 S431 G455 L456 D506 L507 | Y415-A458 WeakPolarHBondContact OH-CB 3.46Å; S431-A458 PolarHBondContact O-N 3.37Å; G455-A458 WeakPolarHBondContact O-CB 3.38Å; G455-A458 PolarHBondContact O-N 2.71Å; L456-A458 VanDerWaalsContact C-N 3.34Å; A458-D506 CarbonylContact C-O 3.59Å; A458-D506 HydrophobicContact CB-CB 4.03Å; A458-D506 VanDerWaalsContact O-O 3.09Å; A458-L507 HydrophobicContact CB-CD2 3.99Å | ||
| 459 | R | 85.1 | Confident | 93.5 | Very high | 130 Ų | 130 | 25.2 Ų | 25.2 | 49% | 0.491 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -111.6 | 160.1 | 173.2 | -81.3 | -164.3 | -179.9 | -144.5 | 8 | 112 | E428 S431 G457 S461 G462 | E428-R459 VanDerWaalsContact CD-CZ 3.43Å; E428-R459 WeakPolarHBondContact OE1-CD 3.32Å; E428-R459 IonicContact OE1-CZ 3.67Å; E428-R459 IonicContact OE1-NE 2.71Å; E428-R459 PolarHBondContact OE1-NE 2.96Å; E428-R459 IonicContact OE1-NH1 2.91Å; E428-R459 PolarHBondContact OE1-NH1 2.95Å; E428-R459 IonicContact OE1-NH2 3.7Å; E428-R459 IonicContact OE2-CZ 3.31Å; E428-R459 IonicContact OE2-NE 3.18Å; E428-R459 PolarHBondContact OE2-NE 3.19Å; E428-R459 IonicContact OE2-NH1 3.42Å; E428-R459 IonicContact OE2-NH2 2.66Å; E428-R459 PolarHBondContact OE2-NH2 3.4Å; S431-R459 PolarHBondContact O-N 2.9Å; S431-R459 WeakPolarHBondContact OG-CD 3.49Å; S431-R459 WeakPolarHBondContact OG-CG 3.47Å; G457-R459 PolarHBondContact O-N 3.49Å; R459-S461 PolarHBondContact O-N 2.85Å; R459-G462 PolarHBondContact O-N 2.65Å |
| 460 | N | 74.4 | Confident | 92.8 | Very high | 148 Ų | 148 | 28 Ų | 28 | 79% | 0.791 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.1 | -178.7 | -65.7 | -22.4 | 0 | 0 | 0 | 116 | Q508 | N460-Q508 PolarHBondContact OD1-NE2 3.38Š|
| 461 | S | 79.3 | Confident | 92.3 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 62% | 0.615 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.7 | 176.1 | 65 | 0 | 0 | 0 | 0 | 113.9 | R459 | R459-S461 PolarHBondContact O-N 2.85Š|
| 462 | G | 89.8 | Confident | 91.8 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | trans | -111.5 | -173.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R432 Q433 R459 | R432-G462 WeakPolarHBondContact O-CA 3.35Å; Q433-G462 CarbonylContact O-C 3.45Å; Q433-G462 WeakPolarHBondContact O-CA 3.48Å; R459-G462 PolarHBondContact O-N 2.65Å | ||
| 463 | G | 95.4 | Very high | 91 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | 179.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q433 H434 Y435 | Q433-G463 PolarHBondContact O-N 2.91Å; H434-G463 VanDerWaalsContact CA-O 3.31Å; H434-G463 WeakPolarHBondContact CA-O 3.4Å; H434-G463 PolarHBondContact CD2-O 3.04Å; Y435-G463 PolarHBondContact N-O 2.83Å |
| 464 | L | 97.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.3 | 173.8 | -62.9 | 174.5 | 0 | 0 | 0 | 109.3 | Y435 L448 F451 L456 L507 Q508 V509 I510 | Y435-L464 WeakPolarHBondContact O-CA 3.32Å; L448-L464 HydrophobicContact CD2-CD1 4.3Å; F451-L464 HydrophobicContact CB-CD1 4.03Å; F451-L464 HydrophobicContact CD2-CD2 4.1Å; L456-L464 HydrophobicContact CD2-CD2 3.96Å; L456-L464 HydrophobicContact CG-CD2 4.19Å; L464-L507 HydrophobicContact CD1-CD1 4.21Å; L464-L507 HydrophobicContact CD1-CD2 4.25Å; L464-Q508 PolarHBondContact N-O 3Å; L464-V509 HydrophobicContact CB-CG1 4.14Å; L464-V509 HydrophobicContact CB-CG2 4.3Å; L464-V509 HydrophobicContact CD1-CG2 4.37Å; L464-V509 CarbonylContact O-C 3.52Å; L464-V509 VanDerWaalsContact O-CA 3.27Å; L464-V509 WeakPolarHBondContact O-CA 3.46Å; L464-I510 PolarHBondContact O-N 3.19Å |
| 465 | T | 97.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.1 | 167.2 | -61.9 | 0 | 0 | 0 | 0 | 108.7 | H434 Y435 L436 L437 V467 I510 L512 F528 | H434-T465 PolarHBondContact NE2-OG1 2.83Å; Y435-T465 PolarHBondContact O-N 3.49Å; L436-T465 WeakPolarHBondContact CA-O 3.41Å; L436-T465 HydrophobicContact CD1-CG2 3.95Å; L437-T465 PolarHBondContact N-O 2.82Å; T465-V467 HydrophobicContact CG2-CG2 4.32Å; T465-I510 CarbonylContact C-O 3.59Å; T465-I510 WeakPolarHBondContact CA-O 3.09Å; T465-L512 HydrophobicContact CG2-CD1 3.68Å; T465-L512 HydrophobicContact CG2-CG 4.2Å; T465-F528 HydrophobicContact CG2-CE2 3.97Å; T465-F528 HydrophobicContact CG2-CZ 3.88Å |
| 466 | V | 98.3 | Very high | 89 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.4 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | L437 A440 L448 A493 V509 I510 P511 L512 | L437-V466 HydrophobicContact CB-CG2 4.4Å; L437-V466 HydrophobicContact CD2-CG1 4.32Å; L437-V466 HydrophobicContact CD2-CG2 4.39Å; L437-V466 WeakPolarHBondContact O-CA 3.26Å; A440-V466 HydrophobicContact CB-CG1 3.92Å; L448-V466 HydrophobicContact CD1-CG1 4.34Å; L448-V466 HydrophobicContact CD1-CG2 4.09Å; L448-V466 HydrophobicContact CD2-CG2 3.73Å; L448-V466 HydrophobicContact CG-CG2 4.44Å; V466-A493 HydrophobicContact CG1-CB 4.33Å; V466-V509 HydrophobicContact CG2-CG1 3.65Å; V466-I510 PolarHBondContact N-O 3.02Å; V466-P511 CarbonylContact O-C 3.37Å; V466-P511 WeakPolarHBondContact O-CA 3.42Å; V466-L512 PolarHBondContact O-N 3.44Å |
| 467 | V | 96.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.6 | 180 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | L436 L437 G439 T465 L512 Y514 L516 Y524 | L436-V467 HydrophobicContact CD1-CG2 3.7Å; L437-V467 PolarHBondContact O-N 2.95Å; G439-V467 PolarHBondContact N-O 2.88Å; T465-V467 HydrophobicContact CG2-CG2 4.32Å; V467-L512 WeakPolarHBondContact CA-O 3.44Å; V467-L512 HydrophobicContact CG2-CB 4.09Å; V467-L512 HydrophobicContact CG2-CD1 4.19Å; V467-Y514 WeakPolarHBondContact CG1-O 3.3Å; V467-L516 HydrophobicContact CG1-CB 4.02Å; V467-L516 HydrophobicContact CG1-CD1 4.32Å; V467-L516 HydrophobicContact CG2-CD1 4.21Å; V467-Y524 HydrophobicContact CG1-CE1 4.41Å; V467-Y524 WeakPolarHBondContact CG1-OH 3.38Å; V467-Y524 HydrophobicContact CG2-CE1 3.96Å |
| 468 | D | 93.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | trans | -157.4 | 127.8 | 171.4 | -165 | -43.5 | 0 | 0 | 0 | 109.7 | A440 G441 D470 K492 A493 L512 T513 | A440-D468 VanDerWaalsContact CA-OD2 3.32Å; A440-D468 WeakPolarHBondContact CA-OD2 3.44Å; A440-D468 HydrophobicContact CB-CB 3.63Å; A440-D468 PolarHBondContact N-OD2 3.22Å; G441-D468 PolarHBondContact N-OD2 3.37Å; D468-D470 VanDerWaalsContact OD1-CB 3.29Å; D468-D470 WeakPolarHBondContact OD1-CB 3.37Å; D468-D470 PolarHBondContact OD1-N 2.69Å; D468-K492 HydrophobicContact CB-CB 4.35Å; D468-A493 HydrophobicContact CB-CB 4.07Å; D468-L512 PolarHBondContact N-O 3.47Å; D468-T513 WeakPolarHBondContact O-CA 3.26Å | ||
| 469 | M | 84.9 | Confident | 88.5 | Confident | 105 Ų | 105 | 41.6 Ų | 41.6 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | trans | -87.6 | -14.7 | -177.5 | 71.7 | -155.9 | -165.8 | 0 | 0 | 113.9 | T513 P515 | M469-T513 WeakPolarHBondContact CA-O 3.18Å; M469-P515 HydrophobicContact SD-CB 3.56Å; M469-P515 VanDerWaalsContact SD-CB 3.56Å | ||
| 470 | D | 84 | Confident | 89 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 31% | 0.31 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -79.9 | 159.5 | -173.8 | -68.5 | -9.9 | 0 | 0 | 0 | 112 | D468 K492 | D468-D470 VanDerWaalsContact OD1-CB 3.29Å; D468-D470 WeakPolarHBondContact OD1-CB 3.37Å; D468-D470 PolarHBondContact OD1-N 2.69Å; D470-K492 HydrophobicContact CB-CD 3.82Å; D470-K492 HydrophobicContact CB-CG 4.35Å; D470-K492 VanDerWaalsContact CB-NZ 3.26Å; D470-K492 PolarHBondContact O-N 3.25Å; D470-K492 IonicContact OD2-NZ 3.9Å; D470-K492 PolarHBondContact OD2-NZ 2.83Å |
| 471 | H | 86.9 | Confident | 90 | Very high | 101 Ų | 101 | 29.1 Ų | 29.1 | 47% | 0.468 | 15% | 0.151 | S | C | . | . | B | Isolated β-bridge | trans | -102.5 | 158.3 | 169.6 | -63.1 | 67.9 | 0 | 0 | 0 | 110.3 | G489 R490 K492 | H471-G489 PolarHBondContact CD2-O 2.83Å; H471-G489 VanDerWaalsContact CD2-O 3.25Å; H471-R490 CarbonylContact C-O 3.6Å; H471-R490 VanDerWaalsContact CA-O 3.29Å; H471-R490 WeakPolarHBondContact CA-O 3.4Å; H471-K492 VanDerWaalsContact O-CE 3.28Å; H471-K492 WeakPolarHBondContact O-CE 3.49Å |
| 472 | I | 89 | Confident | 90.9 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 128.9 | -178.3 | -63.5 | 163.4 | 0 | 0 | 0 | 110 | L477 F483 D487 I488 G489 R490 K492 V495 | I472-L477 HydrophobicContact CG2-CD2 4.3Å; I472-F483 HydrophobicContact CD1-CB 4.16Å; I472-F483 HydrophobicContact CD1-CD1 3.57Å; I472-F483 HydrophobicContact CD1-CD2 4.06Å; I472-F483 HydrophobicContact CD1-CE1 3.93Å; I472-F483 HydrophobicContact CD1-CE2 4.37Å; I472-F483 HydrophobicContact CD1-CG 3.66Å; I472-F483 HydrophobicContact CD1-CZ 4.33Å; I472-F483 HydrophobicContact CG1-CD1 4.18Å; I472-F483 HydrophobicContact CG1-CD2 3.78Å; I472-F483 HydrophobicContact CG1-CE1 4.33Å; I472-F483 HydrophobicContact CG1-CE2 3.94Å; I472-F483 HydrophobicContact CG1-CG 3.93Å; I472-F483 HydrophobicContact CG1-CZ 4.23Å; I472-F483 HydrophobicContact CG2-CB 4.09Å; I472-F483 HydrophobicContact CG2-CD2 4.07Å; I472-F483 HydrophobicContact CG2-CG 4.21Å; I472-D487 HydrophobicContact CD1-CB 3.69Å; I472-I488 HydrophobicContact CG2-CG1 4.48Å; I472-I488 WeakPolarHBondContact O-CA 3.25Å; I472-G489 PolarHBondContact O-N 2.85Å; I472-R490 PolarHBondContact N-O 3.36Å; I472-K492 HydrophobicContact CG1-CB 4.46Å; I472-K492 HydrophobicContact CG1-CG 3.74Å; I472-V495 HydrophobicContact CD1-CB 3.72Å; I472-V495 HydrophobicContact CD1-CG1 3.94Å; I472-V495 HydrophobicContact CD1-CG2 3.64Å |
| 473 | E | 79.9 | Confident | 91.2 | Very high | 65 Ų | 65 | 25 Ų | 25 | 30% | 0.304 | 12% | 0.119 | S | C | . | . | trans | -110.4 | 161.3 | 173.9 | -62.7 | 169 | -175.4 | 0 | 0 | 111.6 | S475 N476 | E473-S475 VanDerWaalsContact C-N 3.3Å; E473-S475 PolarHBondContact O-N 2.94Å; E473-S475 PolarHBondContact OE2-OG 3.45Å; E473-N476 PolarHBondContact N-OD1 3.46Å; E473-N476 VanDerWaalsContact N-OD1 3.11Å; E473-N476 WeakPolarHBondContact O-CB 3.45Å; E473-N476 PolarHBondContact O-N 3.11Å; E473-N476 VanDerWaalsContact O-N 3.11Å | ||
| 474 | R | 83 | Confident | 91.2 | Very high | 84 Ų | 84 | 26.8 Ų | 26.8 | 32% | 0.317 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -58.9 | -42.5 | 176 | -167.4 | -169.4 | -177.7 | 80 | 0.2 | 112.2 | D11 E13 N476 L477 I488 | D11-R474 IonicContact OD1-NE 3.2Å; D11-R474 IonicContact OD2-CZ 3.85Å; D11-R474 IonicContact OD2-NE 2.85Å; D11-R474 PolarHBondContact OD2-NE 3.32Å; D11-R474 IonicContact OD2-NH2 3.49Å; D11-R474 PolarHBondContact OD2-NH2 2.66Å; E13-R474 HydrophobicContact CG-CB 4.34Å; E13-R474 HydrophobicContact CG-CG 4.5Å; E13-R474 VanDerWaalsContact OE1-CB 3.28Å; E13-R474 WeakPolarHBondContact OE1-CB 3.29Å; E13-R474 VanDerWaalsContact OE1-CD 3.29Å; E13-R474 WeakPolarHBondContact OE1-CD 3.21Å; E13-R474 VanDerWaalsContact OE2-CD 3.25Å; E13-R474 WeakPolarHBondContact OE2-CD 3.47Å; E13-R474 IonicContact OE2-NE 3.56Å; R474-N476 PolarHBondContact O-N 3.23Å; R474-L477 PolarHBondContact O-N 2.76Å; R474-L477 VanDerWaalsContact O-N 3.13Å; R474-I488 HydrophobicContact CB-CD1 4.11Å; R474-I488 HydrophobicContact CG-CD1 4.37Å |
| 475 | S | 79.8 | Confident | 90.9 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -59.3 | -16.6 | 179.1 | 80 | 0 | 0 | 0 | 0 | 113.7 | E13 E473 S478 R479 | E13-S475 WeakPolarHBondContact O-CA 3.33Å; E473-S475 VanDerWaalsContact C-N 3.3Å; E473-S475 PolarHBondContact O-N 2.94Å; E473-S475 PolarHBondContact OE2-OG 3.45Å; S475-S478 PolarHBondContact O-OG 3.37Å; S475-R479 PolarHBondContact O-NH1 2.86Å |
| 476 | N | 87.3 | Confident | 90.8 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -80 | -31.6 | -178.8 | -64.4 | 177.3 | 0 | 0 | 0 | 112.1 | E473 R474 S478 R479 Q480 K492 | E473-N476 PolarHBondContact N-OD1 3.46Å; E473-N476 VanDerWaalsContact N-OD1 3.11Å; E473-N476 WeakPolarHBondContact O-CB 3.45Å; E473-N476 PolarHBondContact O-N 3.11Å; E473-N476 VanDerWaalsContact O-N 3.11Å; R474-N476 PolarHBondContact O-N 3.23Å; N476-S478 PolarHBondContact O-N 3.08Å; N476-S478 VanDerWaalsContact O-N 3.12Å; N476-R479 PolarHBondContact O-N 2.86Å; N476-R479 VanDerWaalsContact O-N 3.07Å; N476-Q480 HydrophobicContact CB-CB 4.34Å; N476-Q480 HydrophobicContact CB-CG 4.33Å; N476-Q480 VanDerWaalsContact CB-OE1 3.29Å; N476-Q480 WeakPolarHBondContact O-CB 3.43Å; N476-Q480 PolarHBondContact O-N 2.75Å; N476-Q480 PolarHBondContact OD1-OE1 3.36Å; N476-K492 WeakPolarHBondContact OD1-CE 3.21Å |
| 477 | L | 92.7 | Very high | 90.6 | Very high | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.3 | -169 | -58.3 | -178.8 | 0 | 0 | 0 | 113.7 | L14 L53 I472 R474 R479 F483 I488 | L14-L477 HydrophobicContact CD1-CB 3.71Å; L53-L477 WeakPolarHBondContact CD2-O 3.38Å; I472-L477 HydrophobicContact CG2-CD2 4.3Å; R474-L477 PolarHBondContact O-N 2.76Å; R474-L477 VanDerWaalsContact O-N 3.13Å; L477-R479 PolarHBondContact O-N 3.49Å; L477-F483 HydrophobicContact CD2-CB 3.66Å; L477-I488 HydrophobicContact CD1-CD1 4.27Å |
| 478 | S | 89.7 | Confident | 90.1 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.9 | 175.8 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | L14 M54 S475 N476 | L14-S478 VanDerWaalsContact O-CB 3.25Å; L14-S478 WeakPolarHBondContact O-CB 3.4Å; L14-S478 PolarHBondContact O-OG 2.63Å; M54-S478 WeakPolarHBondContact CE-O 3.39Å; S475-S478 PolarHBondContact O-OG 3.37Å; N476-S478 PolarHBondContact O-N 3.08Å; N476-S478 VanDerWaalsContact O-N 3.12Å |
| 479 | R | 93.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 42 Ų | 42 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.6 | -8 | -178.7 | 66.2 | -170.6 | 176.9 | -65.6 | -9.4 | 115.3 | R17 A442 S475 N476 L477 A854 | R17-R479 VanDerWaalsContact CG-CZ 3.5Å; R17-R479 VanDerWaalsContact CG-NH1 3.31Å; A442-R479 HydrophobicContact CB-CB 4.39Å; A442-R479 HydrophobicContact CB-CG 3.79Å; S475-R479 PolarHBondContact O-NH1 2.86Å; N476-R479 PolarHBondContact O-N 2.86Å; N476-R479 VanDerWaalsContact O-N 3.07Å; L477-R479 PolarHBondContact O-N 3.49Å; R479-A854 HydrophobicContact CB-CB 4.21Å |
| 480 | Q | 95.5 | Very high | 89.9 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | trans | -105.4 | 69.7 | 176.7 | -67.1 | 172.6 | 25.5 | 0 | 0 | 108.9 | A442 N476 L482 F483 | A442-Q480 HydrophobicContact CB-CG 4.18Å; N476-Q480 HydrophobicContact CB-CB 4.34Å; N476-Q480 HydrophobicContact CB-CG 4.33Å; N476-Q480 VanDerWaalsContact CB-OE1 3.29Å; N476-Q480 WeakPolarHBondContact O-CB 3.43Å; N476-Q480 PolarHBondContact O-N 2.75Å; N476-Q480 PolarHBondContact OD1-OE1 3.36Å; Q480-L482 PolarHBondContact O-N 3.04Å; Q480-F483 HydrophobicContact CB-CD2 3.51Å; Q480-F483 HydrophobicContact CB-CE2 3.75Å; Q480-F483 HydrophobicContact CB-CG 4.46Å; Q480-F483 HydrophobicContact CG-CD2 4.46Å; Q480-F483 HydrophobicContact CG-CE2 4.32Å; Q480-F483 PolarHBondContact O-N 2.85Å | ||
| 481 | F | 96.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.5 | -164.4 | 86.6 | -82.7 | 0 | 0 | 0 | 115 | K49 L53 F76 L98 C445 E446 K449 F483 R484 | K49-F481 HydrophobicContact CD-CB 4.49Å; K49-F481 HydrophobicContact CD-CD1 4.23Å; K49-F481 HydrophobicContact CD-CD2 4.12Å; K49-F481 HydrophobicContact CD-CE2 4.46Å; K49-F481 HydrophobicContact CD-CG 4Å; K49-F481 HydrophobicContact CG-CD2 4.3Å; K49-F481 HydrophobicContact CG-CG 4.42Å; L53-F481 HydrophobicContact CD1-CB 3.68Å; L53-F481 HydrophobicContact CD2-CB 3.99Å; L53-F481 HydrophobicContact CG-CB 4.38Å; F76-F481 AromaticContact CD2-CE2 3.97Å; F76-F481 HydrophobicContact CD2-CE2 3.97Å; F76-F481 HydrophobicContact CE2-CE2 4.11Å; L98-F481 HydrophobicContact CD2-CB 4.24Å; L98-F481 HydrophobicContact CD2-CD2 4.27Å; C445-F481 HydrophobicContact CB-CD1 4.5Å; E446-F481 WeakPolarHBondContact OE1-CD1 3.35Å; K449-F481 HydrophobicContact CB-CE1 4.08Å; K449-F481 HydrophobicContact CB-CZ 3.74Å; K449-F481 HydrophobicContact CD-CE1 4.01Å; K449-F481 HydrophobicContact CD-CE2 4.48Å; K449-F481 HydrophobicContact CD-CZ 3.57Å; K449-F481 HydrophobicContact CG-CE1 4.4Å; K449-F481 HydrophobicContact CG-CZ 3.74Å; F481-F483 PolarHBondContact O-N 2.82Å; F481-R484 PolarHBondContact O-NH1 2.95Å |
| 482 | L | 97.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -16.8 | 173.1 | -63.4 | -174.8 | 0 | 0 | 0 | 112.6 | C445 L448 Q480 A496 A499 L503 | C445-L482 HydrophobicContact CB-CB 4.45Å; C445-L482 HydrophobicContact CB-CD1 3.97Å; C445-L482 HydrophobicContact CB-CG 3.91Å; L448-L482 HydrophobicContact CB-CD1 4.08Å; L448-L482 HydrophobicContact CD1-CD1 4.28Å; Q480-L482 PolarHBondContact O-N 3.04Å; L482-A496 HydrophobicContact CD1-CB 4.37Å; L482-A499 HydrophobicContact CB-CB 3.83Å; L482-A499 HydrophobicContact CD1-CB 4.27Å; L482-A499 HydrophobicContact CD2-CB 3.99Å; L482-A499 HydrophobicContact CG-CB 4.24Å; L482-L503 HydrophobicContact CD2-CD1 4.1Å |
| 483 | F | 97.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | trans | -96.8 | 154.6 | -177.1 | -52.7 | -31.1 | 0 | 0 | 0 | 111.8 | A440 I472 L477 Q480 F481 K492 V495 A496 | A440-F483 WeakPolarHBondContact O-CZ 3.35Å; I472-F483 HydrophobicContact CD1-CB 4.16Å; I472-F483 HydrophobicContact CD1-CD1 3.57Å; I472-F483 HydrophobicContact CD1-CD2 4.06Å; I472-F483 HydrophobicContact CD1-CE1 3.93Å; I472-F483 HydrophobicContact CD1-CE2 4.37Å; I472-F483 HydrophobicContact CD1-CG 3.66Å; I472-F483 HydrophobicContact CD1-CZ 4.33Å; I472-F483 HydrophobicContact CG1-CD1 4.18Å; I472-F483 HydrophobicContact CG1-CD2 3.78Å; I472-F483 HydrophobicContact CG1-CE1 4.33Å; I472-F483 HydrophobicContact CG1-CE2 3.94Å; I472-F483 HydrophobicContact CG1-CG 3.93Å; I472-F483 HydrophobicContact CG1-CZ 4.23Å; I472-F483 HydrophobicContact CG2-CB 4.09Å; I472-F483 HydrophobicContact CG2-CD2 4.07Å; I472-F483 HydrophobicContact CG2-CG 4.21Å; L477-F483 HydrophobicContact CD2-CB 3.66Å; Q480-F483 HydrophobicContact CB-CD2 3.51Å; Q480-F483 HydrophobicContact CB-CE2 3.75Å; Q480-F483 HydrophobicContact CB-CG 4.46Å; Q480-F483 HydrophobicContact CG-CD2 4.46Å; Q480-F483 HydrophobicContact CG-CE2 4.32Å; Q480-F483 PolarHBondContact O-N 2.85Å; F481-F483 PolarHBondContact O-N 2.82Å; F483-K492 HydrophobicContact CE2-CB 4.3Å; F483-K492 HydrophobicContact CE2-CD 4.26Å; F483-K492 HydrophobicContact CE2-CG 3.94Å; F483-K492 HydrophobicContact CZ-CB 3.87Å; F483-K492 HydrophobicContact CZ-CG 4.02Å; F483-V495 HydrophobicContact CD1-CB 4.07Å; F483-V495 HydrophobicContact CD1-CG1 3.64Å; F483-V495 HydrophobicContact CE1-CB 4.05Å; F483-V495 HydrophobicContact CE1-CG1 4.09Å; F483-A496 HydrophobicContact CE1-CB 3.88Å; F483-A496 HydrophobicContact CZ-CB 4.2Å | ||
| 484 | R | 94.9 | Very high | 92.2 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | trans | -124.3 | 165.6 | 174.1 | -61.9 | -66.9 | 178.1 | -85.2 | 2.5 | 110.2 | F481 Q486 D487 | F481-R484 PolarHBondContact O-NH1 2.95Å; R484-Q486 HydrophobicContact CB-CG 4.04Å; R484-Q486 PolarHBondContact O-N 2.93Å; R484-Q486 VanDerWaalsContact O-N 3.14Å; R484-D487 PolarHBondContact N-OD2 2.69Å; R484-D487 WeakPolarHBondContact O-CB 3.17Å; R484-D487 PolarHBondContact O-N 2.9Å | ||
| 485 | S | 91.2 | Very high | 92.9 | Very high | 70 Ų | 70 | 33.2 Ų | 33.2 | 49% | 0.49 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -57.4 | -29.6 | 177.3 | -50.8 | 0 | 0 | 0 | 0 | 113.3 | D487 I488 | S485-D487 PolarHBondContact O-N 3.19Å; S485-I488 WeakPolarHBondContact O-CD1 3.29Å; S485-I488 WeakPolarHBondContact O-CG1 3.23Å |
| 486 | Q | 94.1 | Very high | 93.8 | Very high | 141 Ų | 141 | 33.1 Ų | 33.1 | 66% | 0.659 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -72.4 | -12.9 | 175.1 | 67.8 | -127.4 | 41.6 | 0 | 0 | 114.4 | R484 | R484-Q486 HydrophobicContact CB-CG 4.04Å; R484-Q486 PolarHBondContact O-N 2.93Å; R484-Q486 VanDerWaalsContact O-N 3.14Å |
| 487 | D | 94.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -93.4 | -3.9 | -178.8 | -61.2 | -53.4 | 0 | 0 | 0 | 113.1 | I472 R484 S485 G489 R490 V495 | I472-D487 HydrophobicContact CD1-CB 3.69Å; R484-D487 PolarHBondContact N-OD2 2.69Å; R484-D487 WeakPolarHBondContact O-CB 3.17Å; R484-D487 PolarHBondContact O-N 2.9Å; S485-D487 PolarHBondContact O-N 3.19Å; D487-G489 PolarHBondContact O-N 3.14Å; D487-R490 VanDerWaalsContact O-CB 3.26Å; D487-R490 WeakPolarHBondContact O-CB 3.44Å; D487-R490 WeakPolarHBondContact O-CG 3.42Å; D487-R490 PolarHBondContact O-N 2.78Å; D487-R490 IonicContact OD1-CZ 3.36Å; D487-R490 IonicContact OD1-NH1 2.67Å; D487-R490 PolarHBondContact OD1-NH1 3.43Å; D487-V495 HydrophobicContact CB-CG1 4.01Å; D487-V495 HydrophobicContact CB-CG2 4.29Å |
| 488 | I | 86.3 | Confident | 94.5 | Very high | 73 Ų | 73 | 33.5 Ų | 33.5 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 132.5 | 178.9 | -65.2 | 171.5 | 0 | 0 | 0 | 110 | I472 R474 L477 S485 R490 | I472-I488 HydrophobicContact CG2-CG1 4.48Å; I472-I488 WeakPolarHBondContact O-CA 3.25Å; R474-I488 HydrophobicContact CB-CD1 4.11Å; R474-I488 HydrophobicContact CG-CD1 4.37Å; L477-I488 HydrophobicContact CD1-CD1 4.27Å; S485-I488 WeakPolarHBondContact O-CD1 3.29Å; S485-I488 WeakPolarHBondContact O-CG1 3.23Å; I488-R490 VanDerWaalsContact C-N 3.32Å |
| 489 | G | 81.5 | Confident | 94.9 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 54% | 0.536 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -1.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | H471 I472 D487 | H471-G489 PolarHBondContact CD2-O 2.83Å; H471-G489 VanDerWaalsContact CD2-O 3.25Å; I472-G489 PolarHBondContact O-N 2.85Å; D487-G489 PolarHBondContact O-N 3.14Å |
| 490 | R | 93.4 | Very high | 95.1 | Very high | 111 Ų | 111 | 32.5 Ų | 32.5 | 42% | 0.419 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -90.5 | 155.2 | 173 | -59 | 178.8 | 65.4 | -164.6 | 0.3 | 111.5 | H471 I472 D487 I488 K492 V495 | H471-R490 CarbonylContact C-O 3.6Å; H471-R490 VanDerWaalsContact CA-O 3.29Å; H471-R490 WeakPolarHBondContact CA-O 3.4Å; I472-R490 PolarHBondContact N-O 3.36Å; D487-R490 VanDerWaalsContact O-CB 3.26Å; D487-R490 WeakPolarHBondContact O-CB 3.44Å; D487-R490 WeakPolarHBondContact O-CG 3.42Å; D487-R490 PolarHBondContact O-N 2.78Å; D487-R490 IonicContact OD1-CZ 3.36Å; D487-R490 IonicContact OD1-NH1 2.67Å; D487-R490 PolarHBondContact OD1-NH1 3.43Å; I488-R490 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 3.36Å; R490-V495 HydrophobicContact CB-CG2 3.82Å |
| 491 | P | 93.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -61.1 | 131.4 | 176.3 | -22.5 | 33.2 | 0 | 0 | 0 | 112.4 | A493 E494 V495 T513 | P491-A493 PolarHBondContact O-N 3.01Å; P491-E494 HydrophobicContact CB-CB 4.43Å; P491-E494 HydrophobicContact CB-CG 4.14Å; P491-E494 HydrophobicContact CG-CG 4.49Å; P491-E494 PolarHBondContact O-N 2.91Å; P491-V495 PolarHBondContact O-N 3.36Å; P491-T513 HydrophobicContact CB-CG2 3.69Å; P491-T513 HydrophobicContact CG-CG2 4.31Å |
| 492 | K | 97.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -47 | -178.1 | -71.9 | -176.2 | -169.9 | 154 | 0 | 111.9 | A440 D468 D470 H471 I472 N476 F483 R490 E494 V495 A496 | A440-K492 HydrophobicContact CB-CB 4.03Å; D468-K492 HydrophobicContact CB-CB 4.35Å; D470-K492 HydrophobicContact CB-CD 3.82Å; D470-K492 HydrophobicContact CB-CG 4.35Å; D470-K492 VanDerWaalsContact CB-NZ 3.26Å; D470-K492 PolarHBondContact O-N 3.25Å; D470-K492 IonicContact OD2-NZ 3.9Å; D470-K492 PolarHBondContact OD2-NZ 2.83Å; H471-K492 VanDerWaalsContact O-CE 3.28Å; H471-K492 WeakPolarHBondContact O-CE 3.49Å; I472-K492 HydrophobicContact CG1-CB 4.46Å; I472-K492 HydrophobicContact CG1-CG 3.74Å; N476-K492 WeakPolarHBondContact OD1-CE 3.21Å; F483-K492 HydrophobicContact CE2-CB 4.3Å; F483-K492 HydrophobicContact CE2-CD 4.26Å; F483-K492 HydrophobicContact CE2-CG 3.94Å; F483-K492 HydrophobicContact CZ-CB 3.87Å; F483-K492 HydrophobicContact CZ-CG 4.02Å; R490-K492 PolarHBondContact O-N 3.36Å; K492-E494 VanDerWaalsContact C-N 3.33Å; K492-E494 PolarHBondContact O-N 3.44Å; K492-V495 PolarHBondContact O-N 3.11Å; K492-A496 WeakPolarHBondContact O-CB 3.35Å; K492-A496 PolarHBondContact O-N 3.13Å |
| 493 | A | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -44 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V466 D468 P491 A497 P511 T513 | V466-A493 HydrophobicContact CG1-CB 4.33Å; D468-A493 HydrophobicContact CB-CB 4.07Å; P491-A493 PolarHBondContact O-N 3.01Å; A493-A497 VanDerWaalsContact O-CB 3.24Å; A493-A497 WeakPolarHBondContact O-CB 3.25Å; A493-A497 PolarHBondContact O-N 3.01Å; A493-P511 HydrophobicContact CB-CB 4.09Å; A493-T513 HydrophobicContact CB-CG2 4.45Å |
| 494 | E | 98.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.5 | -47.1 | -178.8 | -66.9 | -176.2 | 173 | 0 | 0 | 112.5 | P491 K492 A497 A498 P511 T513 | P491-E494 HydrophobicContact CB-CB 4.43Å; P491-E494 HydrophobicContact CB-CG 4.14Å; P491-E494 HydrophobicContact CG-CG 4.49Å; P491-E494 PolarHBondContact O-N 2.91Å; K492-E494 VanDerWaalsContact C-N 3.33Å; K492-E494 PolarHBondContact O-N 3.44Å; E494-A497 PolarHBondContact O-N 2.87Å; E494-A498 WeakPolarHBondContact O-CB 3.39Å; E494-A498 PolarHBondContact O-N 2.91Å; E494-P511 HydrophobicContact CB-CB 4.47Å; E494-P511 HydrophobicContact CG-CB 4.11Å; E494-P511 HydrophobicContact CG-CG 4.18Å; E494-T513 HydrophobicContact CG-CG2 4.09Å |
| 495 | V | 98.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.3 | -40.4 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | I472 F483 D487 R490 P491 K492 A498 A499 | I472-V495 HydrophobicContact CD1-CB 3.72Å; I472-V495 HydrophobicContact CD1-CG1 3.94Å; I472-V495 HydrophobicContact CD1-CG2 3.64Å; F483-V495 HydrophobicContact CD1-CB 4.07Å; F483-V495 HydrophobicContact CD1-CG1 3.64Å; F483-V495 HydrophobicContact CE1-CB 4.05Å; F483-V495 HydrophobicContact CE1-CG1 4.09Å; D487-V495 HydrophobicContact CB-CG1 4.01Å; D487-V495 HydrophobicContact CB-CG2 4.29Å; R490-V495 HydrophobicContact CB-CG2 3.82Å; P491-V495 PolarHBondContact O-N 3.36Å; K492-V495 PolarHBondContact O-N 3.11Å; V495-A498 PolarHBondContact O-N 3.04Å; V495-A499 WeakPolarHBondContact O-CB 3.27Å; V495-A499 PolarHBondContact O-N 3.31Å |
| 496 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A440 L448 L482 F483 K492 A498 A499 A500 | A440-A496 HydrophobicContact CB-CB 4.09Å; L448-A496 HydrophobicContact CD1-CB 3.68Å; L482-A496 HydrophobicContact CD1-CB 4.37Å; F483-A496 HydrophobicContact CE1-CB 3.88Å; F483-A496 HydrophobicContact CZ-CB 4.2Å; K492-A496 WeakPolarHBondContact O-CB 3.35Å; K492-A496 PolarHBondContact O-N 3.13Å; A496-A498 PolarHBondContact O-N 2.8Å; A496-A499 PolarHBondContact O-N 2.92Å; A496-A500 PolarHBondContact O-N 3.12Å |
| 497 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A493 E494 A499 A500 R501 V509 P511 | A493-A497 VanDerWaalsContact O-CB 3.24Å; A493-A497 WeakPolarHBondContact O-CB 3.25Å; A493-A497 PolarHBondContact O-N 3.01Å; E494-A497 PolarHBondContact O-N 2.87Å; A497-A499 VanDerWaalsContact C-N 3.33Å; A497-A500 PolarHBondContact O-N 3.07Å; A497-R501 PolarHBondContact O-N 2.95Å; A497-R501 VanDerWaalsContact O-N 3.16Å; A497-V509 HydrophobicContact CB-CB 3.94Å; A497-V509 HydrophobicContact CB-CG1 3.51Å; A497-P511 HydrophobicContact CB-CB 4.02Å; A497-P511 HydrophobicContact CB-CG 4.27Å |
| 498 | A | 97.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E494 V495 A496 R502 | E494-A498 WeakPolarHBondContact O-CB 3.39Å; E494-A498 PolarHBondContact O-N 2.91Å; V495-A498 PolarHBondContact O-N 3.04Å; A496-A498 PolarHBondContact O-N 2.8Å; A498-R502 PolarHBondContact O-N 3.15Å; A498-R502 PolarHBondContact O-NH1 3.37Å |
| 499 | A | 97.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L482 V495 A496 A497 R501 R502 L503 | L482-A499 HydrophobicContact CB-CB 3.83Å; L482-A499 HydrophobicContact CD1-CB 4.27Å; L482-A499 HydrophobicContact CD2-CB 3.99Å; L482-A499 HydrophobicContact CG-CB 4.24Å; V495-A499 WeakPolarHBondContact O-CB 3.27Å; V495-A499 PolarHBondContact O-N 3.31Å; A496-A499 PolarHBondContact O-N 2.92Å; A497-A499 VanDerWaalsContact C-N 3.33Å; A499-R501 VanDerWaalsContact C-N 3.29Å; A499-R501 PolarHBondContact O-N 3.27Å; A499-R502 WeakPolarHBondContact O-CB 3.47Å; A499-R502 PolarHBondContact O-N 3.47Å; A499-L503 PolarHBondContact O-N 3.46Å |
| 500 | A | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.1 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L448 A496 A497 R502 L503 N504 L507 V509 | L448-A500 HydrophobicContact CB-CB 4.49Å; L448-A500 HydrophobicContact CD2-CB 4.38Å; A496-A500 PolarHBondContact O-N 3.12Å; A497-A500 PolarHBondContact O-N 3.07Å; A500-R502 VanDerWaalsContact C-N 3.31Å; A500-R502 PolarHBondContact O-N 2.95Å; A500-L503 WeakPolarHBondContact O-CB 3.35Å; A500-L503 PolarHBondContact O-N 3Å; A500-N504 PolarHBondContact O-N 2.84Å; A500-L507 HydrophobicContact CB-CD1 4.3Å; A500-V509 HydrophobicContact CB-CG2 4.18Å |
| 501 | R | 95.8 | Very high | 96 | Very high | 100 Ų | 100 | 41 Ų | 41 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -29.1 | 173.5 | -75.5 | -170.3 | -71 | -102.3 | -4.1 | 114.1 | A497 A499 N504 P505 V509 | A497-R501 PolarHBondContact O-N 2.95Å; A497-R501 VanDerWaalsContact O-N 3.16Å; A499-R501 VanDerWaalsContact C-N 3.29Å; A499-R501 PolarHBondContact O-N 3.27Å; R501-N504 CarbonylContact O-C 3.27Å; R501-P505 WeakPolarHBondContact O-CA 3.5Å; R501-V509 HydrophobicContact CG-CG2 4.19Å; R501-V509 PolarHBondContact NH1-O 3.24Å |
| 502 | R | 94.3 | Very high | 96.1 | Very high | 151 Ų | 151 | 41.7 Ų | 41.7 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -72.3 | -38.8 | 172.8 | -69.1 | -171.1 | -58.7 | -90.2 | 6 | 111.5 | A498 A499 A500 N504 | A498-R502 PolarHBondContact O-N 3.15Å; A498-R502 PolarHBondContact O-NH1 3.37Å; A499-R502 WeakPolarHBondContact O-CB 3.47Å; A499-R502 PolarHBondContact O-N 3.47Å; A500-R502 VanDerWaalsContact C-N 3.31Å; A500-R502 PolarHBondContact O-N 2.95Å; R502-N504 VanDerWaalsContact C-N 3.32Å |
| 503 | L | 94.7 | Very high | 95.9 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 174.3 | -63.6 | -179.3 | 0 | 0 | 0 | 110.5 | F76 R414 K449 A452 L482 A499 A500 | F76-L503 HydrophobicContact CB-CD2 3.94Å; F76-L503 WeakPolarHBondContact O-CD2 3.39Å; R414-L503 PolarHBondContact NH1-O 3.37Å; R414-L503 PolarHBondContact NH2-O 3.34Å; K449-L503 HydrophobicContact CB-CD1 4.23Å; K449-L503 HydrophobicContact CG-CD1 4.23Å; A452-L503 HydrophobicContact CB-CB 3.93Å; A452-L503 HydrophobicContact CB-CD1 4.3Å; L482-L503 HydrophobicContact CD2-CD1 4.1Å; A499-L503 PolarHBondContact O-N 3.46Å; A500-L503 WeakPolarHBondContact O-CB 3.35Å; A500-L503 PolarHBondContact O-N 3Å |
| 504 | N | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -140.3 | 105.2 | 177.2 | -171.1 | -6.5 | 0 | 0 | 0 | 112.8 | R414 Y415 A452 A500 R501 R502 D506 L507 | R414-N504 VanDerWaalsContact NH1-CA 3.34Å; R414-N504 VanDerWaalsContact NH1-CG 3.34Å; R414-N504 PolarHBondContact NH1-OD1 3.4Å; R414-N504 VanDerWaalsContact NH1-OD1 3.14Å; Y415-N504 PolarHBondContact OH-ND2 3.47Å; A452-N504 HydrophobicContact CB-CB 4.14Å; A452-N504 PolarHBondContact O-ND2 3.13Å; A500-N504 PolarHBondContact O-N 2.84Å; R501-N504 CarbonylContact O-C 3.27Å; R502-N504 VanDerWaalsContact C-N 3.32Å; N504-D506 PolarHBondContact O-N 3.46Å; N504-D506 VanDerWaalsContact O-N 3.17Å; N504-D506 PolarHBondContact OD1-N 2.78Å; N504-D506 VanDerWaalsContact OD1-N 3.14Å; N504-L507 HydrophobicContact CB-CD1 3.99Å; N504-L507 HydrophobicContact CB-CG 3.92Å; N504-L507 PolarHBondContact O-N 3.22Å | ||
| 505 | P | 93 | Very high | 94.8 | Very high | 97 Ų | 97 | 47.5 Ų | 47.5 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.2 | -179.6 | -26.6 | 36 | 0 | 0 | 0 | 115.1 | R501 L507 | R501-P505 WeakPolarHBondContact O-CA 3.5Å; P505-L507 VanDerWaalsContact C-N 3.26Å; P505-L507 PolarHBondContact O-N 2.97Å |
| 506 | D | 92.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.4 | -178.9 | -64.5 | -26.8 | 0 | 0 | 0 | 112.9 | A458 N504 | A458-D506 CarbonylContact C-O 3.59Å; A458-D506 HydrophobicContact CB-CB 4.03Å; A458-D506 VanDerWaalsContact O-O 3.09Å; N504-D506 PolarHBondContact O-N 3.46Å; N504-D506 VanDerWaalsContact O-N 3.17Å; N504-D506 PolarHBondContact OD1-N 2.78Å; N504-D506 VanDerWaalsContact OD1-N 3.14Å |
| 507 | L | 93.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | trans | -75.2 | 134.2 | 180 | -64.3 | 177.4 | 0 | 0 | 0 | 112.7 | A452 L456 A458 L464 A500 N504 P505 V509 | A452-L507 HydrophobicContact CB-CD1 3.56Å; L456-L507 WeakPolarHBondContact O-CD2 3.41Å; A458-L507 HydrophobicContact CB-CD2 3.99Å; L464-L507 HydrophobicContact CD1-CD1 4.21Å; L464-L507 HydrophobicContact CD1-CD2 4.25Å; A500-L507 HydrophobicContact CB-CD1 4.3Å; N504-L507 HydrophobicContact CB-CD1 3.99Å; N504-L507 HydrophobicContact CB-CG 3.92Å; N504-L507 PolarHBondContact O-N 3.22Å; P505-L507 VanDerWaalsContact C-N 3.26Å; P505-L507 PolarHBondContact O-N 2.97Å; L507-V509 HydrophobicContact CB-CG2 3.85Å; L507-V509 HydrophobicContact CD1-CG2 4.39Å | ||
| 508 | Q | 91.8 | Very high | 93 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | trans | -97.2 | 112.2 | 161.6 | -61 | -168.5 | 20.1 | 0 | 0 | 109.5 | N460 L464 | N460-Q508 PolarHBondContact OD1-NE2 3.38Å; L464-Q508 PolarHBondContact N-O 3Å | ||
| 509 | V | 96.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.3 | -177.8 | -164.7 | 0 | 0 | 0 | 0 | 111 | L464 V466 A497 A500 R501 L507 P511 | L464-V509 HydrophobicContact CB-CG1 4.14Å; L464-V509 HydrophobicContact CB-CG2 4.3Å; L464-V509 HydrophobicContact CD1-CG2 4.37Å; L464-V509 CarbonylContact O-C 3.52Å; L464-V509 VanDerWaalsContact O-CA 3.27Å; L464-V509 WeakPolarHBondContact O-CA 3.46Å; V466-V509 HydrophobicContact CG2-CG1 3.65Å; A497-V509 HydrophobicContact CB-CB 3.94Å; A497-V509 HydrophobicContact CB-CG1 3.51Å; A500-V509 HydrophobicContact CB-CG2 4.18Å; R501-V509 HydrophobicContact CG-CG2 4.19Å; R501-V509 PolarHBondContact NH1-O 3.24Å; L507-V509 HydrophobicContact CB-CG2 3.85Å; L507-V509 HydrophobicContact CD1-CG2 4.39Å; V509-P511 WeakPolarHBondContact O-CD 3.37Å |
| 510 | I | 96.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 111.6 | 179.7 | -58.4 | 173.9 | 0 | 0 | 0 | 108.7 | L464 T465 V466 L512 | L464-I510 PolarHBondContact O-N 3.19Å; T465-I510 CarbonylContact C-O 3.59Å; T465-I510 WeakPolarHBondContact CA-O 3.09Å; V466-I510 PolarHBondContact N-O 3.02Å; I510-L512 HydrophobicContact CG2-CD2 4.41Å; I510-L512 HydrophobicContact CG2-CG 4.49Å |
| 511 | P | 97.8 | Very high | 91 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 136.9 | 174.5 | 33.6 | -32.6 | 0 | 0 | 0 | 111.1 | V466 A493 E494 A497 V509 | V466-P511 CarbonylContact O-C 3.37Å; V466-P511 WeakPolarHBondContact O-CA 3.42Å; A493-P511 HydrophobicContact CB-CB 4.09Å; E494-P511 HydrophobicContact CB-CB 4.47Å; E494-P511 HydrophobicContact CG-CB 4.11Å; E494-P511 HydrophobicContact CG-CG 4.18Å; A497-P511 HydrophobicContact CB-CB 4.02Å; A497-P511 HydrophobicContact CB-CG 4.27Å; V509-P511 WeakPolarHBondContact O-CD 3.37Å |
| 512 | L | 96.4 | Very high | 90.2 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.1 | 172.2 | -61.8 | 176.4 | 0 | 0 | 0 | 109.2 | T465 V466 V467 D468 I510 Y524 F528 | T465-L512 HydrophobicContact CG2-CD1 3.68Å; T465-L512 HydrophobicContact CG2-CG 4.2Å; V466-L512 PolarHBondContact O-N 3.44Å; V467-L512 WeakPolarHBondContact CA-O 3.44Å; V467-L512 HydrophobicContact CG2-CB 4.09Å; V467-L512 HydrophobicContact CG2-CD1 4.19Å; D468-L512 PolarHBondContact N-O 3.47Å; I510-L512 HydrophobicContact CG2-CD2 4.41Å; I510-L512 HydrophobicContact CG2-CG 4.49Å; L512-Y524 HydrophobicContact CD1-CE1 3.64Å; L512-F528 HydrophobicContact CD1-CE2 3.82Å; L512-F528 HydrophobicContact CD1-CZ 4.22Å |
| 513 | T | 93.7 | Very high | 89.7 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | trans | -107.5 | 10.1 | -170.7 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | D468 M469 P491 A493 E494 | D468-T513 WeakPolarHBondContact O-CA 3.26Å; M469-T513 WeakPolarHBondContact CA-O 3.18Å; P491-T513 HydrophobicContact CB-CG2 3.69Å; P491-T513 HydrophobicContact CG-CG2 4.31Å; A493-T513 HydrophobicContact CB-CG2 4.45Å; E494-T513 HydrophobicContact CG-CG2 4.09Å | ||
| 514 | Y | 87.8 | Confident | 89.3 | Confident | 130 Ų | 130 | 59 Ų | 59 | 51% | 0.51 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -94.2 | 143.6 | 177.6 | -59.2 | -78.1 | 0 | 0 | 0 | 110 | V467 I523 Y524 | V467-Y514 WeakPolarHBondContact CG1-O 3.3Å; Y514-I523 HydrophobicContact CD1-CD1 4.38Å; Y514-I523 HydrophobicContact CD2-CD1 3.95Å; Y514-I523 HydrophobicContact CG-CD1 3.88Å; Y514-Y524 PolarHBondContact O-OH 2.85Å |
| 515 | P | 84.5 | Confident | 88.3 | Confident | 36 Ų | 36 | 60 Ų | 60 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | trans | -54.2 | 143.6 | 175.1 | 22.3 | -32.4 | 0 | 0 | 0 | 110.3 | M469 D517 T520 Y524 | M469-P515 HydrophobicContact SD-CB 3.56Å; M469-P515 VanDerWaalsContact SD-CB 3.56Å; P515-D517 WeakPolarHBondContact CB-OD2 3.32Å; P515-T520 HydrophobicContact CG-CG2 3.91Å; P515-T520 VanDerWaalsContact O-CB 3.31Å; P515-T520 WeakPolarHBondContact O-CB 3.43Å; P515-T520 VanDerWaalsContact O-CG2 3.28Å; P515-T520 WeakPolarHBondContact O-CG2 3.32Å; P515-T520 PolarHBondContact O-OG1 2.76Å; P515-Y524 VanDerWaalsContact O-CE2 3.27Å; P515-Y524 WeakPolarHBondContact O-CE2 3.47Å | ||
| 516 | L | 88.1 | Confident | 87.5 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | trans | -100.5 | 88.4 | 173 | -167.4 | 141.3 | 0 | 0 | 0 | 108.3 | L436 V438 V467 Y524 F529 Y547 V548 | L436-L516 HydrophobicContact CD2-CD1 4.45Å; V438-L516 HydrophobicContact CG1-CB 4.26Å; V438-L516 HydrophobicContact CG1-CD1 4.43Å; V438-L516 HydrophobicContact CG1-CD2 4.37Å; V438-L516 HydrophobicContact CG2-CD1 4.39Å; V467-L516 HydrophobicContact CG1-CB 4.02Å; V467-L516 HydrophobicContact CG1-CD1 4.32Å; V467-L516 HydrophobicContact CG2-CD1 4.21Å; L516-Y524 HydrophobicContact CB-CD2 4.48Å; L516-Y524 HydrophobicContact CB-CE2 4.33Å; L516-Y524 HydrophobicContact CD1-CD1 3.95Å; L516-Y524 HydrophobicContact CD1-CD2 4.35Å; L516-Y524 HydrophobicContact CD1-CE1 4.16Å; L516-Y524 HydrophobicContact CD1-CG 4.03Å; L516-Y524 HydrophobicContact CG-CD2 4.18Å; L516-Y524 HydrophobicContact CG-CE2 4.47Å; L516-Y524 HydrophobicContact CG-CG 4.26Å; L516-F529 HydrophobicContact CD1-CZ 4.38Å; L516-F529 HydrophobicContact CD2-CZ 4.39Å; L516-Y547 HydrophobicContact CD2-CD1 3.73Å; L516-Y547 HydrophobicContact CD2-CE1 3.54Å; L516-Y547 HydrophobicContact CG-CE1 4.23Å; L516-Y547 VanDerWaalsContact O-CD1 3.27Å; L516-Y547 WeakPolarHBondContact O-CD1 3.38Å; L516-V548 HydrophobicContact CD2-CG2 3.6Å | ||
| 517 | D | 85.7 | Confident | 86.9 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -150.1 | 177.5 | -174.1 | 73.8 | 30.5 | 0 | 0 | 0 | 110.3 | P515 T519 T520 Y547 | P515-D517 WeakPolarHBondContact CB-OD2 3.32Å; D517-T519 PolarHBondContact O-N 3.24Å; D517-T519 WeakPolarHBondContact OD1-CA 3.39Å; D517-T519 VanDerWaalsContact OD1-CB 3.23Å; D517-T519 WeakPolarHBondContact OD1-CB 3.46Å; D517-T519 WeakPolarHBondContact OD1-CG2 3.45Å; D517-T519 PolarHBondContact OD1-N 2.52Å; D517-T519 PolarHBondContact OD1-OG1 3.03Å; D517-T520 PolarHBondContact N-OG1 3.31Å; D517-T520 PolarHBondContact O-N 2.8Å; D517-T520 VanDerWaalsContact O-N 3.14Å; D517-T520 PolarHBondContact O-OG1 2.83Å; D517-Y547 PolarHBondContact O-OH 3.36Å |
| 518 | P | 82.3 | Confident | 86.7 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 56% | 0.558 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -57 | -22.3 | -178.9 | -27.8 | 36.6 | 0 | 0 | 0 | 115.5 | T520 Y547 | P518-T520 VanDerWaalsContact C-N 3.32Å; P518-Y547 HydrophobicContact CB-CE2 4.5Å; P518-Y547 HydrophobicContact CG-CD2 3.92Å; P518-Y547 HydrophobicContact CG-CE2 3.77Å |
| 519 | T | 81.8 | Confident | 86.5 | Confident | 100 Ų | 100 | 55.5 Ų | 55.5 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -76.9 | -19.7 | -178.5 | 74.8 | 0 | 0 | 0 | 0 | 112.8 | D517 H522 | D517-T519 PolarHBondContact O-N 3.24Å; D517-T519 WeakPolarHBondContact OD1-CA 3.39Å; D517-T519 VanDerWaalsContact OD1-CB 3.23Å; D517-T519 WeakPolarHBondContact OD1-CB 3.46Å; D517-T519 WeakPolarHBondContact OD1-CG2 3.45Å; D517-T519 PolarHBondContact OD1-N 2.52Å; D517-T519 PolarHBondContact OD1-OG1 3.03Å; T519-H522 PolarHBondContact O-CE1 2.73Å; T519-H522 PolarHBondContact O-ND1 2.94Å |
| 520 | T | 85.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -112.7 | 17.1 | -175.8 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | P515 D517 P518 H522 I523 Y524 | P515-T520 HydrophobicContact CG-CG2 3.91Å; P515-T520 VanDerWaalsContact O-CB 3.31Å; P515-T520 WeakPolarHBondContact O-CB 3.43Å; P515-T520 VanDerWaalsContact O-CG2 3.28Å; P515-T520 WeakPolarHBondContact O-CG2 3.32Å; P515-T520 PolarHBondContact O-OG1 2.76Å; D517-T520 PolarHBondContact N-OG1 3.31Å; D517-T520 PolarHBondContact O-N 2.8Å; D517-T520 VanDerWaalsContact O-N 3.14Å; D517-T520 PolarHBondContact O-OG1 2.83Å; P518-T520 VanDerWaalsContact C-N 3.32Å; T520-H522 PolarHBondContact O-N 2.82Å; T520-H522 VanDerWaalsContact O-N 3.13Å; T520-I523 HydrophobicContact CG2-CD1 4.38Å; T520-I523 WeakPolarHBondContact O-CA 3.13Å; T520-I523 WeakPolarHBondContact O-CB 3.45Å; T520-I523 PolarHBondContact O-N 2.88Å; T520-Y524 WeakPolarHBondContact O-CD2 3.32Å; T520-Y524 PolarHBondContact O-N 2.91Å; T520-Y524 WeakPolarHBondContact OG1-CD2 3.41Å |
| 521 | E | 82.9 | Confident | 85.3 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.2 | 178.3 | -70.2 | -164 | 165.4 | 0 | 0 | 114.1 | I523 Y524 G525 Y547 R551 | E521-I523 PolarHBondContact O-N 3.23Å; E521-Y524 CarbonylContact O-C 3.55Å; E521-Y524 PolarHBondContact O-N 2.69Å; E521-G525 WeakPolarHBondContact O-CA 3.23Å; E521-G525 PolarHBondContact O-N 3.35Å; E521-Y547 WeakPolarHBondContact CG-OH 3.41Å; E521-Y547 WeakPolarHBondContact OE1-CE2 3.35Å; E521-Y547 PolarHBondContact OE1-OH 3.17Å; E521-R551 IonicContact OE1-CZ 3Å; E521-R551 IonicContact OE1-NH1 3.12Å; E521-R551 PolarHBondContact OE1-NH1 3.45Å; E521-R551 IonicContact OE2-NH1 3.81Å |
| 522 | H | 78.4 | Confident | 85.1 | Confident | 158 Ų | 158 | 57.6 Ų | 57.6 | 73% | 0.731 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.6 | 170.8 | 65.5 | -81.4 | 0 | 0 | 0 | 113 | T519 T520 | T519-H522 PolarHBondContact O-CE1 2.73Å; T519-H522 PolarHBondContact O-ND1 2.94Å; T520-H522 PolarHBondContact O-N 2.82Å; T520-H522 VanDerWaalsContact O-N 3.13Å |
| 523 | I | 83.9 | Confident | 85.1 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -48.4 | 172.2 | -51.3 | 178.1 | 0 | 0 | 0 | 109.5 | Y514 T520 E521 G525 | Y514-I523 HydrophobicContact CD1-CD1 4.38Å; Y514-I523 HydrophobicContact CD2-CD1 3.95Å; Y514-I523 HydrophobicContact CG-CD1 3.88Å; T520-I523 HydrophobicContact CG2-CD1 4.38Å; T520-I523 WeakPolarHBondContact O-CA 3.13Å; T520-I523 WeakPolarHBondContact O-CB 3.45Å; T520-I523 PolarHBondContact O-N 2.88Å; E521-I523 PolarHBondContact O-N 3.23Å; I523-G525 PolarHBondContact O-N 3.47Å |
| 524 | Y | 85.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -101.4 | 41.8 | -173.3 | -51.9 | -70.8 | 0 | 0 | 0 | 113.3 | V467 L512 Y514 P515 L516 T520 E521 F528 F529 R551 | V467-Y524 HydrophobicContact CG1-CE1 4.41Å; V467-Y524 WeakPolarHBondContact CG1-OH 3.38Å; V467-Y524 HydrophobicContact CG2-CE1 3.96Å; L512-Y524 HydrophobicContact CD1-CE1 3.64Å; Y514-Y524 PolarHBondContact O-OH 2.85Å; P515-Y524 VanDerWaalsContact O-CE2 3.27Å; P515-Y524 WeakPolarHBondContact O-CE2 3.47Å; L516-Y524 HydrophobicContact CB-CD2 4.48Å; L516-Y524 HydrophobicContact CB-CE2 4.33Å; L516-Y524 HydrophobicContact CD1-CD1 3.95Å; L516-Y524 HydrophobicContact CD1-CD2 4.35Å; L516-Y524 HydrophobicContact CD1-CE1 4.16Å; L516-Y524 HydrophobicContact CD1-CG 4.03Å; L516-Y524 HydrophobicContact CG-CD2 4.18Å; L516-Y524 HydrophobicContact CG-CE2 4.47Å; L516-Y524 HydrophobicContact CG-CG 4.26Å; T520-Y524 WeakPolarHBondContact O-CD2 3.32Å; T520-Y524 PolarHBondContact O-N 2.91Å; T520-Y524 WeakPolarHBondContact OG1-CD2 3.41Å; E521-Y524 CarbonylContact O-C 3.55Å; E521-Y524 PolarHBondContact O-N 2.69Å; Y524-F528 AromaticContact CD1-CD1 3.9Å; Y524-F528 HydrophobicContact CD1-CD1 3.9Å; Y524-F528 HydrophobicContact CD1-CD2 4.2Å; Y524-F528 AromaticContact CD1-CE1 3.67Å; Y524-F528 HydrophobicContact CD1-CE1 3.67Å; Y524-F528 HydrophobicContact CD1-CE2 4.01Å; Y524-F528 HydrophobicContact CD1-CG 4.14Å; Y524-F528 AromaticContact CD1-CZ 3.73Å; Y524-F528 HydrophobicContact CD1-CZ 3.73Å; Y524-F528 HydrophobicContact CE1-CE1 4.38Å; Y524-F528 HydrophobicContact CE1-CE2 4.3Å; Y524-F528 HydrophobicContact CE1-CZ 4.04Å; Y524-F529 WeakPolarHBondContact O-CD2 3.38Å; Y524-F529 WeakPolarHBondContact O-CE2 3.47Å; Y524-R551 PolarHBondContact O-NH2 2.86Å |
| 525 | G | 75.3 | Confident | 85.8 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -79.4 | -162.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | E521 I523 N527 F528 F529 | E521-G525 WeakPolarHBondContact O-CA 3.23Å; E521-G525 PolarHBondContact O-N 3.35Å; I523-G525 PolarHBondContact O-N 3.47Å; G525-N527 VanDerWaalsContact C-N 3.32Å; G525-N527 PolarHBondContact O-N 2.86Å; G525-F528 WeakPolarHBondContact O-CB 3.3Å; G525-F528 PolarHBondContact O-N 3.23Å; G525-F529 PolarHBondContact O-N 2.93Å |
| 526 | D | 76.7 | Confident | 86.5 | Confident | 51 Ų | 51 | 49 Ų | 49 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.3 | -43.5 | -176.3 | -69.6 | 1.7 | 0 | 0 | 0 | 113.6 | F528 S530 Y555 L987 | D526-F528 PolarHBondContact O-N 3.43Å; D526-S530 WeakPolarHBondContact O-CB 3.4Å; D526-S530 PolarHBondContact O-N 2.97Å; D526-S530 PolarHBondContact O-OG 3.12Å; D526-Y555 WeakPolarHBondContact CA-OH 3.29Å; D526-Y555 HydrophobicContact CB-CE1 4.19Å; D526-Y555 PolarHBondContact N-OH 2.82Å; D526-Y555 WeakPolarHBondContact OD1-CE1 3.43Å; D526-Y555 PolarHBondContact OD1-OH 3.4Å; D526-L987 VanDerWaalsContact OD2-CD1 3.32Å; D526-L987 WeakPolarHBondContact OD2-CD1 3.19Å |
| 527 | N | 80.1 | Confident | 86.8 | Confident | 107 Ų | 107 | 48.2 Ų | 48.2 | 57% | 0.572 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.1 | -26.2 | 179.2 | -73.3 | -23.2 | 0 | 0 | 0 | 111.9 | G525 S530 H531 | G525-N527 VanDerWaalsContact C-N 3.32Å; G525-N527 PolarHBondContact O-N 2.86Å; N527-S530 WeakPolarHBondContact CA-OG 3.42Å; N527-S530 PolarHBondContact O-OG 3.35Å; N527-H531 PolarHBondContact O-CE1 3.05Å; N527-H531 PolarHBondContact O-ND1 2.93Å |
| 528 | F | 88.3 | Confident | 87.2 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76 | -59.3 | 178.9 | -178.5 | -99.2 | 0 | 0 | 0 | 111.2 | L436 T465 L512 Y524 G525 D526 S530 H531 | L436-F528 HydrophobicContact CD1-CE1 3.94Å; L436-F528 HydrophobicContact CD1-CZ 3.65Å; L436-F528 HydrophobicContact CD2-CE1 3.66Å; L436-F528 HydrophobicContact CD2-CZ 4.27Å; L436-F528 HydrophobicContact CG-CE1 4.39Å; T465-F528 HydrophobicContact CG2-CE2 3.97Å; T465-F528 HydrophobicContact CG2-CZ 3.88Å; L512-F528 HydrophobicContact CD1-CE2 3.82Å; L512-F528 HydrophobicContact CD1-CZ 4.22Å; Y524-F528 AromaticContact CD1-CD1 3.9Å; Y524-F528 HydrophobicContact CD1-CD1 3.9Å; Y524-F528 HydrophobicContact CD1-CD2 4.2Å; Y524-F528 AromaticContact CD1-CE1 3.67Å; Y524-F528 HydrophobicContact CD1-CE1 3.67Å; Y524-F528 HydrophobicContact CD1-CE2 4.01Å; Y524-F528 HydrophobicContact CD1-CG 4.14Å; Y524-F528 AromaticContact CD1-CZ 3.73Å; Y524-F528 HydrophobicContact CD1-CZ 3.73Å; Y524-F528 HydrophobicContact CE1-CE1 4.38Å; Y524-F528 HydrophobicContact CE1-CE2 4.3Å; Y524-F528 HydrophobicContact CE1-CZ 4.04Å; G525-F528 WeakPolarHBondContact O-CB 3.3Å; G525-F528 PolarHBondContact O-N 3.23Å; D526-F528 PolarHBondContact O-N 3.43Å; F528-S530 VanDerWaalsContact C-N 3.32Å; F528-S530 PolarHBondContact O-N 3.24Å; F528-H531 PolarHBondContact O-N 2.91Å |
| 529 | F | 87.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.3 | -27.9 | -176 | -79.8 | -86.2 | 0 | 0 | 0 | 113.1 | L436 L516 Y524 G525 H531 V532 V535 R551 Y555 K557 | L436-F529 HydrophobicContact CD2-CE1 3.86Å; L436-F529 HydrophobicContact CD2-CZ 4.25Å; L516-F529 HydrophobicContact CD1-CZ 4.38Å; L516-F529 HydrophobicContact CD2-CZ 4.39Å; Y524-F529 WeakPolarHBondContact O-CD2 3.38Å; Y524-F529 WeakPolarHBondContact O-CE2 3.47Å; G525-F529 PolarHBondContact O-N 2.93Å; F529-H531 PolarHBondContact O-N 3.46Å; F529-V532 WeakPolarHBondContact O-CG2 3.29Å; F529-V532 PolarHBondContact O-N 3.49Å; F529-V535 HydrophobicContact CE1-CG2 4.45Å; F529-R551 HydrophobicContact CD1-CB 4.41Å; F529-R551 HydrophobicContact CE1-CB 3.83Å; F529-R551 HydrophobicContact CE2-CB 4.09Å; F529-R551 HydrophobicContact CE2-CG 4.24Å; F529-R551 HydrophobicContact CZ-CB 3.66Å; F529-R551 HydrophobicContact CZ-CG 4.05Å; F529-Y555 HydrophobicContact CB-CD1 4.04Å; F529-Y555 HydrophobicContact CB-CD2 3.18Å; F529-Y555 HydrophobicContact CB-CE1 4.35Å; F529-Y555 HydrophobicContact CB-CE2 3.53Å; F529-Y555 HydrophobicContact CB-CG 3.47Å; F529-Y555 VanDerWaalsContact CB-CG 3.47Å; F529-Y555 HydrophobicContact CD1-CD2 4.02Å; F529-Y555 AromaticContact CD2-CD2 3.93Å; F529-Y555 HydrophobicContact CD2-CD2 3.93Å; F529-Y555 AromaticContact CD2-CE2 3.64Å; F529-Y555 HydrophobicContact CD2-CE2 3.64Å; F529-Y555 AromaticContact CG-CD2 3.45Å; F529-Y555 HydrophobicContact CG-CD2 3.45Å; F529-Y555 VanDerWaalsContact CG-CD2 3.45Å; F529-Y555 AromaticContact CG-CE2 3.67Å; F529-Y555 HydrophobicContact CG-CE2 3.67Å; F529-Y555 HydrophobicContact CG-CG 4.23Å; F529-K557 WeakPolarHBondContact O-CE 3.28Å; F529-K557 PolarHBondContact O-NZ 3.41Å |
| 530 | S | 82.6 | Confident | 87.4 | Confident | 59 Ų | 59 | 44 Ų | 44 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.1 | -31.1 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | D526 N527 F528 K557 | D526-S530 WeakPolarHBondContact O-CB 3.4Å; D526-S530 PolarHBondContact O-N 2.97Å; D526-S530 PolarHBondContact O-OG 3.12Å; N527-S530 WeakPolarHBondContact CA-OG 3.42Å; N527-S530 PolarHBondContact O-OG 3.35Å; F528-S530 VanDerWaalsContact C-N 3.32Å; F528-S530 PolarHBondContact O-N 3.24Å; S530-K557 PolarHBondContact O-NZ 3.5Å; S530-K557 VanDerWaalsContact O-NZ 3.1Å |
| 531 | H | 86.9 | Confident | 87.1 | Confident | 125 Ų | 125 | 45.7 Ų | 45.7 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -2.5 | -175.5 | -69.5 | 80.2 | 0 | 0 | 0 | 114.7 | H434 N527 F528 F529 | H434-H531 PolarHBondContact ND1-O 3.44Å; N527-H531 PolarHBondContact O-CE1 3.05Å; N527-H531 PolarHBondContact O-ND1 2.93Å; F528-H531 PolarHBondContact O-N 2.91Å; F529-H531 PolarHBondContact O-N 3.46Å |
| 532 | V | 94 | Very high | 87.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -96.7 | 141.8 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | H434 L436 F529 V535 K557 | H434-V532 CarbonylContact O-C 3.5Å; H434-V532 WeakPolarHBondContact O-CA 3.5Å; L436-V532 HydrophobicContact CB-CB 4.49Å; L436-V532 HydrophobicContact CB-CG1 4.15Å; F529-V532 WeakPolarHBondContact O-CG2 3.29Å; F529-V532 PolarHBondContact O-N 3.49Å; V532-V535 HydrophobicContact CG2-CG2 4.3Å; V532-K557 HydrophobicContact CG2-CG 4.47Å; V532-K557 WeakPolarHBondContact O-CD 3.36Å; V532-K557 WeakPolarHBondContact O-CE 3.29Å; V532-K557 PolarHBondContact O-NZ 3.27Å | ||
| 533 | D | 95.9 | Very high | 87.2 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -83.7 | -27 | 177.8 | -62.8 | -48.4 | 0 | 0 | 0 | 111.9 | Q433 H434 Y435 P558 | Q433-D533 VanDerWaalsContact CA-OD2 3.31Å; Q433-D533 WeakPolarHBondContact CA-OD2 3.38Å; Q433-D533 VanDerWaalsContact OE1-CB 3.32Å; H434-D533 PolarHBondContact N-OD2 2.86Å; H434-D533 PolarHBondContact O-N 2.89Å; Y435-D533 HydrophobicContact CD2-CB 4.41Å; Y435-D533 HydrophobicContact CE2-CB 4.19Å; D533-P558 VanDerWaalsContact O-CD 3.28Å; D533-P558 WeakPolarHBondContact O-CD 3.33Å |
| 534 | G | 97.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 166.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L436 | L436-G534 PolarHBondContact N-O 2.83Å |
| 535 | V | 98.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.8 | -179.8 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | L436 V438 F529 V532 V548 C552 K557 P558 L559 L560 | L436-V535 HydrophobicContact CB-CG1 4.38Å; L436-V535 HydrophobicContact CB-CG2 4.22Å; L436-V535 HydrophobicContact CD2-CG1 4.09Å; L436-V535 HydrophobicContact CD2-CG2 4.14Å; L436-V535 HydrophobicContact CG-CG1 4.26Å; L436-V535 CarbonylContact O-C 3.53Å; L436-V535 WeakPolarHBondContact O-CA 3.43Å; V438-V535 HydrophobicContact CG2-CG1 4Å; F529-V535 HydrophobicContact CE1-CG2 4.45Å; V532-V535 HydrophobicContact CG2-CG2 4.3Å; V535-V548 HydrophobicContact CG1-CG1 3.85Å; V535-C552 VanDerWaalsContact CG2-SG 3.55Å; V535-K557 HydrophobicContact CG2-CB 4.34Å; V535-P558 PolarHBondContact N-O 2.83Å; V535-L559 HydrophobicContact CB-CD1 4.22Å; V535-L559 HydrophobicContact CG1-CD1 4.11Å; V535-L559 CarbonylContact O-C 3.55Å; V535-L559 WeakPolarHBondContact O-CA 3.4Å; V535-L560 PolarHBondContact O-N 3.21Å |
| 536 | A | 98.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L436 L437 V438 L447 F451 L560 | L436-A536 PolarHBondContact O-N 3.49Å; L437-A536 WeakPolarHBondContact CA-O 3.1Å; L437-A536 HydrophobicContact CD1-CB 4Å; V438-A536 PolarHBondContact N-O 2.92Å; L447-A536 HydrophobicContact CD1-CB 4.23Å; F451-A536 HydrophobicContact CE2-CB 4.19Å; F451-A536 HydrophobicContact CZ-CB 3.79Å; A536-L560 CarbonylContact C-O 3.53Å; A536-L560 WeakPolarHBondContact CA-O 3.28Å; A536-L560 HydrophobicContact CB-CB 4.24Å |
| 537 | A | 95.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L539 V548 L559 L560 A562 | A537-L539 HydrophobicContact CB-CD1 4.03Å; A537-L539 HydrophobicContact CB-CG 4.3Å; A537-V548 HydrophobicContact CB-CG1 4.35Å; A537-L559 HydrophobicContact CB-CD1 3.87Å; A537-L560 PolarHBondContact N-O 3.46Å; A537-A562 PolarHBondContact O-N 3.45Å |
| 538 | A | 93.3 | Very high | 89.5 | Confident | 11 Ų | 11 | 44 Ų | 44 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -118.9 | 56.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L437 V438 I443 L447 | L437-A538 HydrophobicContact CD1-CB 4.2Å; V438-A538 PolarHBondContact O-N 2.83Å; I443-A538 HydrophobicContact CB-CB 3.89Å; I443-A538 HydrophobicContact CG2-CB 3.84Å; L447-A538 HydrophobicContact CD1-CB 4.3Å | ||
| 539 | L | 88.1 | Confident | 89.8 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | trans | -103 | 152.8 | -167.3 | -61.1 | 169.2 | 0 | 0 | 0 | 112.1 | V438 A537 A544 R545 V548 | V438-L539 HydrophobicContact CB-CD2 4.36Å; V438-L539 HydrophobicContact CG1-CD2 3.85Å; A537-L539 HydrophobicContact CB-CD1 4.03Å; A537-L539 HydrophobicContact CB-CG 4.3Å; L539-A544 HydrophobicContact CB-CB 4.48Å; L539-A544 HydrophobicContact CD1-CB 3.92Å; L539-A544 HydrophobicContact CD2-CB 4.09Å; L539-A544 HydrophobicContact CG-CB 4.4Å; L539-R545 HydrophobicContact CB-CG 3.8Å; L539-R545 HydrophobicContact CD1-CB 4.43Å; L539-R545 HydrophobicContact CD1-CG 3.95Å; L539-R545 PolarHBondContact O-NE 3.41Å; L539-R545 PolarHBondContact O-NH2 3.3Å; L539-V548 HydrophobicContact CD1-CB 4.26Å; L539-V548 HydrophobicContact CD1-CG2 3.84Å | ||
| 540 | D | 80.8 | Confident | 89.9 | Confident | 115 Ų | 115 | 45.3 Ų | 45.3 | 62% | 0.615 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -109.1 | -4.7 | -178.2 | 61.1 | -2.3 | 0 | 0 | 0 | 114.4 | ||
| 541 | S | 80.3 | Confident | 90.4 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | trans | -120 | 146.1 | 174.4 | 71.2 | 0 | 0 | 0 | 0 | 112.8 | Q543 A544 R545 | S541-Q543 VanDerWaalsContact C-N 3.34Å; S541-A544 VanDerWaalsContact OG-CB 3.23Å; S541-A544 WeakPolarHBondContact OG-CB 3.45Å; S541-A544 PolarHBondContact OG-N 3.22Å; S541-R545 VanDerWaalsContact O-CG 3.31Å; S541-R545 WeakPolarHBondContact O-CG 3.45Å; S541-R545 PolarHBondContact O-N 3.08Å | ||
| 542 | F | 82 | Confident | 90.7 | Very high | 58 Ų | 58 | 37.8 Ų | 37.8 | 25% | 0.254 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.2 | -32.3 | 175.3 | -65.1 | -74.4 | 0 | 0 | 0 | 112 | R545 R546 A584 P585 A588 E592 | F542-R545 PolarHBondContact O-N 2.88Å; F542-R546 WeakPolarHBondContact O-CB 3.22Å; F542-R546 VanDerWaalsContact O-CG 3.3Å; F542-R546 WeakPolarHBondContact O-CG 3.36Å; F542-R546 PolarHBondContact O-N 2.89Å; F542-A584 HydrophobicContact CD1-CB 4.4Å; F542-P585 VanDerWaalsContact CE1-CD 3.41Å; F542-P585 HydrophobicContact CE1-CG 3.78Å; F542-P585 HydrophobicContact CZ-CG 4.1Å; F542-A588 HydrophobicContact CB-CB 4.45Å; F542-A588 HydrophobicContact CD1-CB 4.24Å; F542-A588 HydrophobicContact CD2-CB 3.54Å; F542-A588 HydrophobicContact CE1-CB 4.38Å; F542-A588 HydrophobicContact CE2-CB 3.69Å; F542-A588 HydrophobicContact CG-CB 3.83Å; F542-A588 HydrophobicContact CZ-CB 4.12Å; F542-E592 WeakPolarHBondContact CB-OE1 3.21Å |
| 543 | Q | 80.8 | Confident | 90.6 | Very high | 148 Ų | 148 | 38.9 Ų | 38.9 | 69% | 0.692 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -57 | -50.9 | 174.4 | -174.6 | -178.3 | 5.9 | 0 | 0 | 111.9 | S541 R545 R546 Y547 | S541-Q543 VanDerWaalsContact C-N 3.34Å; Q543-R545 VanDerWaalsContact C-N 3.34Å; Q543-R545 PolarHBondContact O-N 2.62Å; Q543-R546 PolarHBondContact O-N 3.23Å; Q543-Y547 PolarHBondContact O-N 2.8Å |
| 544 | A | 84.4 | Confident | 90.2 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 22% | 0.215 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L539 S541 R546 Y547 V548 | L539-A544 HydrophobicContact CB-CB 4.48Å; L539-A544 HydrophobicContact CD1-CB 3.92Å; L539-A544 HydrophobicContact CD2-CB 4.09Å; L539-A544 HydrophobicContact CG-CB 4.4Å; S541-A544 VanDerWaalsContact OG-CB 3.23Å; S541-A544 WeakPolarHBondContact OG-CB 3.45Å; S541-A544 PolarHBondContact OG-N 3.22Å; A544-R546 PolarHBondContact O-N 2.7Å; A544-Y547 PolarHBondContact O-N 3.46Å; A544-V548 WeakPolarHBondContact O-CG2 3.42Å; A544-V548 PolarHBondContact O-N 3.44Å |
| 545 | R | 90.4 | Very high | 89.9 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 176 | -70.7 | 175.5 | -173.7 | 151 | 1.5 | 111.9 | L539 S541 F542 Q543 A549 E561 Y582 | L539-R545 HydrophobicContact CB-CG 3.8Å; L539-R545 HydrophobicContact CD1-CB 4.43Å; L539-R545 HydrophobicContact CD1-CG 3.95Å; L539-R545 PolarHBondContact O-NE 3.41Å; L539-R545 PolarHBondContact O-NH2 3.3Å; S541-R545 VanDerWaalsContact O-CG 3.31Å; S541-R545 WeakPolarHBondContact O-CG 3.45Å; S541-R545 PolarHBondContact O-N 3.08Å; F542-R545 PolarHBondContact O-N 2.88Å; Q543-R545 VanDerWaalsContact C-N 3.34Å; Q543-R545 PolarHBondContact O-N 2.62Å; R545-A549 WeakPolarHBondContact O-CB 3.26Å; R545-A549 PolarHBondContact O-N 2.86Å; R545-E561 WeakPolarHBondContact CD-OE1 3.34Å; R545-E561 IonicContact CZ-OE1 3.56Å; R545-E561 IonicContact NE-OE1 3.98Å; R545-E561 PolarHBondContact NE-OE1 3.03Å; R545-Y582 HydrophobicContact CB-CE1 3.98Å; R545-Y582 WeakPolarHBondContact CD-OH 3.41Å |
| 546 | R | 89.4 | Confident | 89.6 | Confident | 147 Ų | 147 | 42.1 Ų | 42.1 | 56% | 0.555 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.5 | -44.9 | 176.2 | -75.4 | 175.4 | 65.2 | -171.4 | -0 | 111.4 | F542 Q543 A544 A550 Y582 A584 | F542-R546 WeakPolarHBondContact O-CB 3.22Å; F542-R546 VanDerWaalsContact O-CG 3.3Å; F542-R546 WeakPolarHBondContact O-CG 3.36Å; F542-R546 PolarHBondContact O-N 2.89Å; Q543-R546 PolarHBondContact O-N 3.23Å; A544-R546 PolarHBondContact O-N 2.7Å; R546-A550 WeakPolarHBondContact O-CB 3.48Å; R546-A550 PolarHBondContact O-N 3.36Å; R546-Y582 HydrophobicContact CG-CE1 4.32Å; R546-A584 HydrophobicContact CG-CB 4.22Å |
| 547 | Y | 90.4 | Very high | 89.5 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 11% | 0.114 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -53 | 178.4 | -179.5 | -101.4 | 0 | 0 | 0 | 111.5 | L516 D517 P518 E521 Q543 A544 A549 A550 R551 | L516-Y547 HydrophobicContact CD2-CD1 3.73Å; L516-Y547 HydrophobicContact CD2-CE1 3.54Å; L516-Y547 HydrophobicContact CG-CE1 4.23Å; L516-Y547 VanDerWaalsContact O-CD1 3.27Å; L516-Y547 WeakPolarHBondContact O-CD1 3.38Å; D517-Y547 PolarHBondContact O-OH 3.36Å; P518-Y547 HydrophobicContact CB-CE2 4.5Å; P518-Y547 HydrophobicContact CG-CD2 3.92Å; P518-Y547 HydrophobicContact CG-CE2 3.77Å; E521-Y547 WeakPolarHBondContact CG-OH 3.41Å; E521-Y547 WeakPolarHBondContact OE1-CE2 3.35Å; E521-Y547 PolarHBondContact OE1-OH 3.17Å; Q543-Y547 PolarHBondContact O-N 2.8Å; A544-Y547 PolarHBondContact O-N 3.46Å; Y547-A549 VanDerWaalsContact C-N 3.32Å; Y547-A549 PolarHBondContact O-N 3.33Å; Y547-A550 WeakPolarHBondContact O-CB 3.3Å; Y547-A550 PolarHBondContact O-N 3.48Å; Y547-A550 VanDerWaalsContact O-N 3.12Å; Y547-R551 HydrophobicContact CD1-CG 4.3Å; Y547-R551 HydrophobicContact CE1-CG 3.85Å; Y547-R551 HydrophobicContact CE2-CG 4.24Å; Y547-R551 WeakPolarHBondContact O-CG 3.35Å; Y547-R551 PolarHBondContact O-N 2.84Å |
| 548 | V | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | V438 L516 V535 A537 L539 A544 A550 R551 C552 L559 | V438-V548 HydrophobicContact CB-CG2 4.39Å; V438-V548 HydrophobicContact CG1-CG2 4.09Å; V438-V548 HydrophobicContact CG2-CG1 4.35Å; V438-V548 HydrophobicContact CG2-CG2 4.25Å; L516-V548 HydrophobicContact CD2-CG2 3.6Å; V535-V548 HydrophobicContact CG1-CG1 3.85Å; A537-V548 HydrophobicContact CB-CG1 4.35Å; L539-V548 HydrophobicContact CD1-CB 4.26Å; L539-V548 HydrophobicContact CD1-CG2 3.84Å; A544-V548 WeakPolarHBondContact O-CG2 3.42Å; A544-V548 PolarHBondContact O-N 3.44Å; V548-A550 VanDerWaalsContact C-N 3.34Å; V548-A550 PolarHBondContact O-N 3.46Å; V548-R551 PolarHBondContact O-N 3.5Å; V548-C552 PolarHBondContact O-N 3.35Å; V548-C552 PolarHBondContact O-SG 3.14Å; V548-L559 HydrophobicContact CG1-CD1 4.16Å |
| 549 | A | 94.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | R545 Y547 C552 T553 L559 Y582 | R545-A549 WeakPolarHBondContact O-CB 3.26Å; R545-A549 PolarHBondContact O-N 2.86Å; Y547-A549 VanDerWaalsContact C-N 3.32Å; Y547-A549 PolarHBondContact O-N 3.33Å; A549-C552 PolarHBondContact O-N 3.09Å; A549-T553 WeakPolarHBondContact O-CB 3.14Å; A549-T553 PolarHBondContact O-N 2.79Å; A549-T553 PolarHBondContact O-OG1 2.88Å; A549-L559 HydrophobicContact CB-CD2 3.92Å; A549-Y582 HydrophobicContact CB-CD1 3.84Å; A549-Y582 HydrophobicContact CB-CG 4.02Å |
| 550 | A | 90.6 | Very high | 90.3 | Very high | 57 Ų | 57 | 43 Ų | 43 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R546 Y547 V548 T553 H554 | R546-A550 WeakPolarHBondContact O-CB 3.48Å; R546-A550 PolarHBondContact O-N 3.36Å; Y547-A550 WeakPolarHBondContact O-CB 3.3Å; Y547-A550 PolarHBondContact O-N 3.48Å; Y547-A550 VanDerWaalsContact O-N 3.12Å; V548-A550 VanDerWaalsContact C-N 3.34Å; V548-A550 PolarHBondContact O-N 3.46Å; A550-T553 PolarHBondContact O-N 3.2Å; A550-H554 VanDerWaalsContact O-CB 3.3Å; A550-H554 WeakPolarHBondContact O-CB 3.43Å; A550-H554 PolarHBondContact O-N 3.41Å |
| 551 | R | 91.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.9 | -57.9 | -61 | -75.4 | 174.1 | 0.9 | 111.7 | E521 Y524 F529 Y547 V548 T553 H554 Y555 | E521-R551 IonicContact OE1-CZ 3Å; E521-R551 IonicContact OE1-NH1 3.12Å; E521-R551 PolarHBondContact OE1-NH1 3.45Å; E521-R551 IonicContact OE2-NH1 3.81Å; Y524-R551 PolarHBondContact O-NH2 2.86Å; F529-R551 HydrophobicContact CD1-CB 4.41Å; F529-R551 HydrophobicContact CE1-CB 3.83Å; F529-R551 HydrophobicContact CE2-CB 4.09Å; F529-R551 HydrophobicContact CE2-CG 4.24Å; F529-R551 HydrophobicContact CZ-CB 3.66Å; F529-R551 HydrophobicContact CZ-CG 4.05Å; Y547-R551 HydrophobicContact CD1-CG 4.3Å; Y547-R551 HydrophobicContact CE1-CG 3.85Å; Y547-R551 HydrophobicContact CE2-CG 4.24Å; Y547-R551 WeakPolarHBondContact O-CG 3.35Å; Y547-R551 PolarHBondContact O-N 2.84Å; V548-R551 PolarHBondContact O-N 3.5Å; R551-T553 VanDerWaalsContact C-N 3.32Å; R551-T553 PolarHBondContact O-N 2.84Å; R551-H554 WeakPolarHBondContact O-CB 3.3Å; R551-H554 PolarHBondContact O-N 2.8Å; R551-Y555 PolarHBondContact NH2-OH 2.86Å; R551-Y555 WeakPolarHBondContact O-CD2 3.41Å; R551-Y555 PolarHBondContact O-N 3.35Å |
| 552 | C | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 176 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | V535 V548 A549 L556 K557 L559 | V535-C552 VanDerWaalsContact CG2-SG 3.55Å; V548-C552 PolarHBondContact O-N 3.35Å; V548-C552 PolarHBondContact O-SG 3.14Å; A549-C552 PolarHBondContact O-N 3.09Å; C552-L556 CarbonylContact O-C 3.57Å; C552-L556 WeakPolarHBondContact O-CA 3.37Å; C552-L556 PolarHBondContact O-N 2.8Å; C552-K557 HydrophobicContact CB-CB 4.47Å; C552-K557 PolarHBondContact O-N 2.87Å; C552-L559 HydrophobicContact CB-CB 4.19Å |
| 553 | T | 92.2 | Very high | 92 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 15% | 0.153 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -52.1 | 173.7 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | A549 A550 R551 Y555 L556 C913 W914 R916 | A549-T553 WeakPolarHBondContact O-CB 3.14Å; A549-T553 PolarHBondContact O-N 2.79Å; A549-T553 PolarHBondContact O-OG1 2.88Å; A550-T553 PolarHBondContact O-N 3.2Å; R551-T553 VanDerWaalsContact C-N 3.32Å; R551-T553 PolarHBondContact O-N 2.84Å; T553-Y555 PolarHBondContact O-N 2.95Å; T553-L556 WeakPolarHBondContact O-CD2 3.34Å; T553-L556 PolarHBondContact O-N 3.08Å; T553-C913 WeakPolarHBondContact CG2-O 3.21Å; T553-W914 HydrophobicContact CG2-CE3 4.21Å; T553-W914 HydrophobicContact CG2-CZ3 4.31Å; T553-R916 PolarHBondContact O-NH2 2.78Å |
| 554 | H | 87.4 | Confident | 92.5 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 19% | 0.194 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.1 | -49.9 | -179.7 | -178.2 | 96.5 | 0 | 0 | 0 | 112.9 | A550 R551 V991 | A550-H554 VanDerWaalsContact O-CB 3.3Å; A550-H554 WeakPolarHBondContact O-CB 3.43Å; A550-H554 PolarHBondContact O-N 3.41Å; R551-H554 WeakPolarHBondContact O-CB 3.3Å; R551-H554 PolarHBondContact O-N 2.8Å; H554-V991 WeakPolarHBondContact CE1-CG2 3.49Å |
| 555 | Y | 89.7 | Confident | 92.5 | Very high | 33 Ų | 33 | 30.4 Ų | 30.4 | 13% | 0.129 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7 | -178.4 | -63.4 | -71 | 0 | 0 | 0 | 114.7 | D526 F529 R551 T553 K557 | D526-Y555 WeakPolarHBondContact CA-OH 3.29Å; D526-Y555 HydrophobicContact CB-CE1 4.19Å; D526-Y555 PolarHBondContact N-OH 2.82Å; D526-Y555 WeakPolarHBondContact OD1-CE1 3.43Å; D526-Y555 PolarHBondContact OD1-OH 3.4Å; F529-Y555 HydrophobicContact CB-CD1 4.04Å; F529-Y555 HydrophobicContact CB-CD2 3.18Å; F529-Y555 HydrophobicContact CB-CE1 4.35Å; F529-Y555 HydrophobicContact CB-CE2 3.53Å; F529-Y555 HydrophobicContact CB-CG 3.47Å; F529-Y555 VanDerWaalsContact CB-CG 3.47Å; F529-Y555 HydrophobicContact CD1-CD2 4.02Å; F529-Y555 AromaticContact CD2-CD2 3.93Å; F529-Y555 HydrophobicContact CD2-CD2 3.93Å; F529-Y555 AromaticContact CD2-CE2 3.64Å; F529-Y555 HydrophobicContact CD2-CE2 3.64Å; F529-Y555 AromaticContact CG-CD2 3.45Å; F529-Y555 HydrophobicContact CG-CD2 3.45Å; F529-Y555 VanDerWaalsContact CG-CD2 3.45Å; F529-Y555 AromaticContact CG-CE2 3.67Å; F529-Y555 HydrophobicContact CG-CE2 3.67Å; F529-Y555 HydrophobicContact CG-CG 4.23Å; R551-Y555 PolarHBondContact NH2-OH 2.86Å; R551-Y555 WeakPolarHBondContact O-CD2 3.41Å; R551-Y555 PolarHBondContact O-N 3.35Å; T553-Y555 PolarHBondContact O-N 2.95Å; Y555-K557 VanDerWaalsContact C-N 3.33Å; Y555-K557 VanDerWaalsContact O-CE 3.31Å; Y555-K557 WeakPolarHBondContact O-CE 3.25Å; Y555-K557 PolarHBondContact O-N 2.72Å |
| 556 | L | 92.9 | Very high | 92.5 | Very high | 63 Ų | 63 | 29 Ų | 29 | 33% | 0.33 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 48.4 | -178.5 | -54.2 | 176.3 | 0 | 0 | 0 | 112.6 | C552 T553 P576 W914 | C552-L556 CarbonylContact O-C 3.57Å; C552-L556 WeakPolarHBondContact O-CA 3.37Å; C552-L556 PolarHBondContact O-N 2.8Å; T553-L556 WeakPolarHBondContact O-CD2 3.34Å; T553-L556 PolarHBondContact O-N 3.08Å; L556-P576 VanDerWaalsContact C-CG 3.45Å; L556-P576 HydrophobicContact CB-CB 4.38Å; L556-P576 HydrophobicContact CB-CG 4.46Å; L556-P576 WeakPolarHBondContact O-CG 3.17Å; L556-W914 HydrophobicContact CD2-CB 4.38Å; L556-W914 HydrophobicContact CD2-CE3 4.05Å; L556-W914 VanDerWaalsContact CD2-O 3.23Å; L556-W914 WeakPolarHBondContact CD2-O 3.42Å |
| 557 | K | 95.6 | Very high | 92.7 | Very high | 34 Ų | 34 | 22 Ų | 22 | 15% | 0.148 | 12% | 0.121 | C | C | . | . | trans | -102 | 136.3 | 178.7 | -56.3 | -57.6 | 174.8 | 158.6 | 0 | 110.9 | F529 S530 V532 V535 C552 Y555 | F529-K557 WeakPolarHBondContact O-CE 3.28Å; F529-K557 PolarHBondContact O-NZ 3.41Å; S530-K557 PolarHBondContact O-NZ 3.5Å; S530-K557 VanDerWaalsContact O-NZ 3.1Å; V532-K557 HydrophobicContact CG2-CG 4.47Å; V532-K557 WeakPolarHBondContact O-CD 3.36Å; V532-K557 WeakPolarHBondContact O-CE 3.29Å; V532-K557 PolarHBondContact O-NZ 3.27Å; V535-K557 HydrophobicContact CG2-CB 4.34Å; C552-K557 HydrophobicContact CB-CB 4.47Å; C552-K557 PolarHBondContact O-N 2.87Å; Y555-K557 VanDerWaalsContact C-N 3.33Å; Y555-K557 VanDerWaalsContact O-CE 3.31Å; Y555-K557 WeakPolarHBondContact O-CE 3.25Å; Y555-K557 PolarHBondContact O-N 2.72Å | ||
| 558 | P | 97.4 | Very high | 93 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | trans | -55.4 | 139.2 | 167.1 | -16.6 | 26.1 | 0 | 0 | 0 | 110.6 | D533 V535 F574 M575 V871 | D533-P558 VanDerWaalsContact O-CD 3.28Å; D533-P558 WeakPolarHBondContact O-CD 3.33Å; V535-P558 PolarHBondContact N-O 2.83Å; P558-F574 WeakPolarHBondContact CA-O 3.28Å; P558-M575 HydrophobicContact CB-SD 3.89Å; P558-M575 HydrophobicContact CG-CE 3.93Å; P558-M575 HydrophobicContact CG-SD 3.78Å; P558-V871 HydrophobicContact CB-CG1 3.61Å; P558-V871 HydrophobicContact CG-CG1 3.74Å | ||
| 559 | L | 98.4 | Very high | 93 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.3 | 176.1 | 173.5 | 64.6 | 0 | 0 | 0 | 110.2 | V535 A537 V548 A549 C552 E561 V573 F574 | V535-L559 HydrophobicContact CB-CD1 4.22Å; V535-L559 HydrophobicContact CG1-CD1 4.11Å; V535-L559 CarbonylContact O-C 3.55Å; V535-L559 WeakPolarHBondContact O-CA 3.4Å; A537-L559 HydrophobicContact CB-CD1 3.87Å; V548-L559 HydrophobicContact CG1-CD1 4.16Å; A549-L559 HydrophobicContact CB-CD2 3.92Å; C552-L559 HydrophobicContact CB-CB 4.19Å; L559-E561 HydrophobicContact CG-CB 4.4Å; L559-V573 CarbonylContact O-C 3.53Å; L559-V573 WeakPolarHBondContact O-CA 3.44Å; L559-F574 HydrophobicContact CB-CB 4.27Å; L559-F574 HydrophobicContact CB-CD2 4.39Å; L559-F574 HydrophobicContact CD2-CD2 4.03Å; L559-F574 HydrophobicContact CG-CD2 4.18Å; L559-F574 PolarHBondContact N-O 3.11Å; L559-F574 PolarHBondContact O-N 3.33Å |
| 560 | L | 98.5 | Very high | 93 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.4 | 164.2 | -61.4 | 179.2 | 0 | 0 | 0 | 108 | Y435 V535 A536 A537 V573 L864 E867 L868 V871 | Y435-L560 HydrophobicContact CE1-CD1 4.47Å; V535-L560 PolarHBondContact O-N 3.21Å; A536-L560 CarbonylContact C-O 3.53Å; A536-L560 WeakPolarHBondContact CA-O 3.28Å; A536-L560 HydrophobicContact CB-CB 4.24Å; A537-L560 PolarHBondContact N-O 3.46Å; L560-V573 HydrophobicContact CD2-CB 4.05Å; L560-V573 HydrophobicContact CD2-CG2 3.88Å; L560-L864 HydrophobicContact CB-CD1 4.25Å; L560-L864 HydrophobicContact CB-CD2 4.01Å; L560-L864 HydrophobicContact CD2-CD2 4.32Å; L560-E867 HydrophobicContact CD2-CB 3.96Å; L560-L868 HydrophobicContact CD1-CB 3.94Å; L560-L868 HydrophobicContact CD1-CD1 4.12Å; L560-V871 HydrophobicContact CD2-CG2 4.27Å |
| 561 | E | 97.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.4 | -176.1 | -171.7 | -88.2 | 163.1 | 0 | 0 | 110.7 | R545 L559 K572 F574 Y582 | R545-E561 WeakPolarHBondContact CD-OE1 3.34Å; R545-E561 IonicContact CZ-OE1 3.56Å; R545-E561 IonicContact NE-OE1 3.98Å; R545-E561 PolarHBondContact NE-OE1 3.03Å; L559-E561 HydrophobicContact CG-CB 4.4Å; E561-K572 PolarHBondContact N-O 3.38Å; E561-K572 PolarHBondContact O-N 2.94Å; E561-F574 HydrophobicContact CB-CD2 4.33Å; E561-F574 HydrophobicContact CB-CE2 3.84Å; E561-Y582 HydrophobicContact CG-CD2 4.12Å; E561-Y582 HydrophobicContact CG-CE2 3.99Å |
| 562 | A | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I443 A537 S570 V860 L864 | I443-A562 HydrophobicContact CD1-CB 4.07Å; I443-A562 HydrophobicContact CG2-CB 3.78Å; A537-A562 PolarHBondContact O-N 3.45Å; A562-S570 WeakPolarHBondContact CA-O 3.15Å; A562-V860 HydrophobicContact CB-CG1 3.45Å; A562-V860 VanDerWaalsContact CB-CG1 3.45Å; A562-L864 HydrophobicContact CB-CD1 3.45Å; A562-L864 VanDerWaalsContact CB-CD1 3.45Å; A562-L864 HydrophobicContact CB-CG 4.29Å |
| 563 | G | 88.9 | Confident | 93.8 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 6% | 0.062 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 149.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G569 S570 | G563-G569 CarbonylContact O-C 3.51Å; G563-G569 VanDerWaalsContact O-CA 3.32Å; G563-G569 WeakPolarHBondContact O-CA 3.41Å; G563-S570 PolarHBondContact N-O 2.91Å; G563-S570 PolarHBondContact O-N 3.4Å |
| 564 | T | 90.4 | Very high | 94 | Very high | 29 Ų | 29 | 24.2 Ų | 24.2 | 18% | 0.178 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 145.3 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 111 | I443 R568 T856 V860 | I443-T564 HydrophobicContact CD1-CG2 3.94Å; I443-T564 HydrophobicContact CG1-CG2 4.21Å; T564-R568 CarbonylContact C-O 3.54Å; T564-R568 VanDerWaalsContact CA-O 3.32Å; T564-R568 WeakPolarHBondContact CA-O 3.31Å; T564-T856 HydrophobicContact CG2-CG2 4.02Å; T564-V860 HydrophobicContact CG2-CB 4.41Å; T564-V860 HydrophobicContact CG2-CG2 4.05Å |
| 565 | L | 85.7 | Confident | 94.5 | Very high | 84 Ų | 84 | 24.2 Ų | 24.2 | 44% | 0.44 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 104.2 | 171.1 | 176.6 | 67.1 | 0 | 0 | 0 | 108.6 | T567 R568 I850 | L565-T567 PolarHBondContact O-N 3.23Å; L565-R568 PolarHBondContact N-O 2.98Å; L565-R568 WeakPolarHBondContact O-CB 3.48Å; L565-R568 PolarHBondContact O-N 3.05Å; L565-I850 HydrophobicContact CD1-CG2 3.7Å |
| 566 | G | 88.9 | Confident | 94.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | 56.9 | -121.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R568 P851 I853 T856 | G566-R568 VanDerWaalsContact C-N 3.3Å; G566-P851 PolarHBondContact N-O 2.9Å; G566-I853 WeakPolarHBondContact O-CG2 3.49Å; G566-T856 WeakPolarHBondContact O-CB 3.29Å; G566-T856 PolarHBondContact O-OG1 2.93Å |
| 567 | T | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.9 | 176.1 | 75.9 | 0 | 0 | 0 | 0 | 114.7 | V21 E173 F380 L565 T856 H887 L888 A889 | V21-T567 HydrophobicContact CG1-CG2 3.68Å; E173-T567 PolarHBondContact OE1-N 3.05Å; E173-T567 PolarHBondContact OE1-OG1 3.11Å; E173-T567 PolarHBondContact OE2-OG1 3.27Å; F380-T567 HydrophobicContact CD2-CG2 4.39Å; F380-T567 HydrophobicContact CE2-CG2 3.69Å; F380-T567 HydrophobicContact CZ-CG2 3.88Å; L565-T567 PolarHBondContact O-N 3.23Å; T567-T856 WeakPolarHBondContact CA-OG1 3.27Å; T567-H887 WeakPolarHBondContact O-CA 3.23Å; T567-H887 PolarHBondContact OG1-CD2 3.3Å; T567-H887 PolarHBondContact OG1-NE2 2.78Å; T567-L888 PolarHBondContact O-N 3.1Å; T567-A889 HydrophobicContact CG2-CB 4.13Å; T567-A889 WeakPolarHBondContact OG1-CB 3.39Å; T567-A889 PolarHBondContact OG1-N 3.02Å |
| 568 | R | 95 | Very high | 94.9 | Very high | 96 Ų | 96 | 25 Ų | 25 | 36% | 0.362 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.6 | 177.8 | -60.4 | 173.9 | 178.2 | 152.1 | 0.7 | 111.8 | T564 L565 G566 T856 Y885 L886 H887 | T564-R568 CarbonylContact C-O 3.54Å; T564-R568 VanDerWaalsContact CA-O 3.32Å; T564-R568 WeakPolarHBondContact CA-O 3.31Å; L565-R568 PolarHBondContact N-O 2.98Å; L565-R568 WeakPolarHBondContact O-CB 3.48Å; L565-R568 PolarHBondContact O-N 3.05Å; G566-R568 VanDerWaalsContact C-N 3.3Å; R568-T856 VanDerWaalsContact C-CG2 3.47Å; R568-T856 VanDerWaalsContact O-CG2 3.23Å; R568-T856 WeakPolarHBondContact O-CG2 3.4Å; R568-Y885 HydrophobicContact CB-CE2 4.45Å; R568-Y885 WeakPolarHBondContact CD-OH 3.43Å; R568-Y885 WeakPolarHBondContact CG-OH 3.45Å; R568-L886 CarbonylContact C-O 3.5Å; R568-L886 VanDerWaalsContact CA-O 3.29Å; R568-L886 WeakPolarHBondContact CA-O 3.43Å; R568-H887 HydrophobicContact CG-CB 4.21Å |
| 569 | G | 95 | Very high | 94.8 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 152.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G563 Y885 L886 | G563-G569 CarbonylContact O-C 3.51Å; G563-G569 VanDerWaalsContact O-CA 3.32Å; G563-G569 WeakPolarHBondContact O-CA 3.41Å; G569-Y885 WeakPolarHBondContact O-CA 3.49Å; G569-Y885 WeakPolarHBondContact O-CD2 3.41Å; G569-L886 PolarHBondContact N-O 2.85Å; G569-L886 PolarHBondContact O-N 3.26Å |
| 570 | S | 95.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 26 Ų | 26 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139.5 | 171.1 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | A562 G563 V860 S884 | A562-S570 WeakPolarHBondContact CA-O 3.15Å; G563-S570 PolarHBondContact N-O 2.91Å; G563-S570 PolarHBondContact O-N 3.4Å; S570-V860 VanDerWaalsContact O-CG1 3.32Å; S570-V860 WeakPolarHBondContact O-CG1 3.39Å; S570-S884 VanDerWaalsContact CA-O 3.3Å; S570-S884 WeakPolarHBondContact CA-O 3.45Å |
| 571 | A | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | V860 L863 L864 S884 | A571-V860 HydrophobicContact CB-CG1 4.26Å; A571-L863 HydrophobicContact CB-CB 3.67Å; A571-L863 HydrophobicContact CB-CD1 4.48Å; A571-L864 HydrophobicContact CB-CD2 3.86Å; A571-L864 HydrophobicContact CB-CG 3.88Å; A571-S884 PolarHBondContact N-O 3.26Å; A571-S884 PolarHBondContact O-N 3.11Å |
| 572 | K | 97.2 | Very high | 94.1 | Very high | 57 Ų | 57 | 27.7 Ų | 27.7 | 25% | 0.248 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.4 | -174.4 | -64.3 | -173.6 | 178.3 | -174.9 | 0 | 111.1 | E561 F574 L864 H883 | E561-K572 PolarHBondContact N-O 3.38Å; E561-K572 PolarHBondContact O-N 2.94Å; K572-F574 HydrophobicContact CB-CE2 3.84Å; K572-F574 HydrophobicContact CB-CZ 4Å; K572-F574 HydrophobicContact CD-CZ 4.08Å; K572-L864 WeakPolarHBondContact O-CD2 3.4Å; K572-H883 HydrophobicContact CG-CB 4.28Å |
| 573 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.4 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 109.2 | L559 L560 E867 V871 F881 H883 P898 | L559-V573 CarbonylContact O-C 3.53Å; L559-V573 WeakPolarHBondContact O-CA 3.44Å; L560-V573 HydrophobicContact CD2-CB 4.05Å; L560-V573 HydrophobicContact CD2-CG2 3.88Å; V573-E867 HydrophobicContact CB-CB 4.21Å; V573-E867 HydrophobicContact CB-CG 4.38Å; V573-E867 HydrophobicContact CG1-CB 4.41Å; V573-E867 HydrophobicContact CG1-CG 4.18Å; V573-V871 HydrophobicContact CG2-CG2 3.94Å; V573-F881 HydrophobicContact CG1-CB 3.83Å; V573-F881 HydrophobicContact CG1-CD1 3.91Å; V573-F881 HydrophobicContact CG1-CG 4.22Å; V573-F881 HydrophobicContact CG2-CD1 4Å; V573-F881 HydrophobicContact CG2-CE1 4.32Å; V573-H883 PolarHBondContact N-CD2 2.71Å; V573-H883 PolarHBondContact O-NE2 3.39Å; V573-P898 HydrophobicContact CG1-CG 4.41Å |
| 574 | F | 97.7 | Very high | 93 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 111.7 | 175.6 | -54.5 | -82.5 | 0 | 0 | 0 | 108.4 | P558 L559 E561 K572 T579 E580 Y582 H883 | P558-F574 WeakPolarHBondContact CA-O 3.28Å; L559-F574 HydrophobicContact CB-CB 4.27Å; L559-F574 HydrophobicContact CB-CD2 4.39Å; L559-F574 HydrophobicContact CD2-CD2 4.03Å; L559-F574 HydrophobicContact CG-CD2 4.18Å; L559-F574 PolarHBondContact N-O 3.11Å; L559-F574 PolarHBondContact O-N 3.33Å; E561-F574 HydrophobicContact CB-CD2 4.33Å; E561-F574 HydrophobicContact CB-CE2 3.84Å; K572-F574 HydrophobicContact CB-CE2 3.84Å; K572-F574 HydrophobicContact CB-CZ 4Å; K572-F574 HydrophobicContact CD-CZ 4.08Å; F574-T579 VanDerWaalsContact CA-OG1 3.32Å; F574-T579 WeakPolarHBondContact CA-OG1 3.23Å; F574-E580 HydrophobicContact CD1-CG 4.45Å; F574-E580 WeakPolarHBondContact CD1-O 3.26Å; F574-E580 HydrophobicContact CE1-CG 4.34Å; F574-Y582 AromaticContact CE2-CD2 3.75Å; F574-Y582 HydrophobicContact CE2-CD2 3.75Å; F574-Y582 HydrophobicContact CE2-CG 4.33Å; F574-Y582 AromaticContact CZ-CD2 3.71Å; F574-Y582 HydrophobicContact CZ-CD2 3.71Å; F574-Y582 HydrophobicContact CZ-CG 4.27Å; F574-H883 AromaticContact CE1-CE1 3.93Å |
| 575 | M | 96.9 | Very high | 92 | Very high | 42 Ų | 42 | 39.1 Ų | 39.1 | 21% | 0.207 | 19% | 0.192 | C | C | . | . | trans | -110.6 | 118.8 | -174.8 | -173.6 | 60.1 | -128.5 | 0 | 0 | 109.8 | P558 H577 V578 T579 F881 | P558-M575 HydrophobicContact CB-SD 3.89Å; P558-M575 HydrophobicContact CG-CE 3.93Å; P558-M575 HydrophobicContact CG-SD 3.78Å; M575-H577 PolarHBondContact O-N 2.94Å; M575-V578 HydrophobicContact CB-CB 4.03Å; M575-V578 HydrophobicContact CG-CB 3.96Å; M575-V578 HydrophobicContact CG-CG2 4Å; M575-V578 PolarHBondContact O-N 2.95Å; M575-T579 HydrophobicContact CB-CG2 4.13Å; M575-T579 PolarHBondContact N-OG1 3.35Å; M575-T579 PolarHBondContact O-N 3.39Å; M575-T579 PolarHBondContact O-OG1 3.3Å; M575-F881 HydrophobicContact CB-CE2 4.48Å; M575-F881 HydrophobicContact CB-CZ 4.4Å; M575-F881 HydrophobicContact CG-CE2 4.35Å; M575-F881 HydrophobicContact CG-CZ 4.14Å | ||
| 576 | P | 95.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.2 | 131.8 | 175.8 | -31.2 | 28.1 | 0 | 0 | 0 | 114 | L556 V578 W914 | L556-P576 VanDerWaalsContact C-CG 3.45Å; L556-P576 HydrophobicContact CB-CB 4.38Å; L556-P576 HydrophobicContact CB-CG 4.46Å; L556-P576 WeakPolarHBondContact O-CG 3.17Å; P576-V578 PolarHBondContact O-N 3.26Å; P576-W914 HydrophobicContact CB-CD2 4.35Å; P576-W914 HydrophobicContact CB-CE3 3.92Å; P576-W914 HydrophobicContact CB-CZ3 4.12Å; P576-W914 HydrophobicContact CG-CE3 4.15Å; P576-W914 HydrophobicContact CG-CH2 4.38Å; P576-W914 HydrophobicContact CG-CZ3 3.84Å |
| 577 | H | 94.9 | Very high | 88.9 | Confident | 97 Ų | 97 | 43.4 Ų | 43.4 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -2.9 | -178.8 | -49.7 | -77 | 0 | 0 | 0 | 116.4 | M575 W914 D915 | M575-H577 PolarHBondContact O-N 2.94Å; H577-W914 PolarHBondContact CE1-O 3.44Å; H577-W914 VanDerWaalsContact CE1-O 3.27Å; H577-W914 VanDerWaalsContact N-CG 3.31Å; H577-W914 WeakPolarHBondContact ND1-CB 3.36Å; H577-D915 IonicContact CE1-OD1 3.68Å; H577-D915 IonicContact ND1-OD1 3.47Å |
| 578 | V | 95.7 | Very high | 86.7 | Confident | 39 Ų | 39 | 43.4 Ų | 43.4 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -41.4 | -176.7 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | M575 P576 R878 F881 | M575-V578 HydrophobicContact CB-CB 4.03Å; M575-V578 HydrophobicContact CG-CB 3.96Å; M575-V578 HydrophobicContact CG-CG2 4Å; M575-V578 PolarHBondContact O-N 2.95Å; P576-V578 PolarHBondContact O-N 3.26Å; V578-R878 HydrophobicContact CG1-CB 3.94Å; V578-F881 HydrophobicContact CG1-CD2 4.26Å; V578-F881 HydrophobicContact CG1-CE2 4.14Å |
| 579 | T | 96.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -116.9 | 171.5 | -177.7 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | F574 M575 P898 F899 P901 W914 | F574-T579 VanDerWaalsContact CA-OG1 3.32Å; F574-T579 WeakPolarHBondContact CA-OG1 3.23Å; M575-T579 HydrophobicContact CB-CG2 4.13Å; M575-T579 PolarHBondContact N-OG1 3.35Å; M575-T579 PolarHBondContact O-N 3.39Å; M575-T579 PolarHBondContact O-OG1 3.3Å; T579-P898 HydrophobicContact CG2-CB 3.73Å; T579-P898 HydrophobicContact CG2-CG 4.08Å; T579-F899 CarbonylContact C-O 3.56Å; T579-F899 VanDerWaalsContact CA-O 3.32Å; T579-F899 WeakPolarHBondContact CA-O 3.27Å; T579-P901 WeakPolarHBondContact O-CB 3.46Å; T579-P901 WeakPolarHBondContact O-CD 3.48Å; T579-W914 PolarHBondContact O-NE1 2.9Å |
| 580 | E | 94.7 | Very high | 81.5 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 167.1 | 161.4 | 69.6 | -175 | 152.5 | 0 | 0 | 112.1 | F574 H883 F899 | F574-E580 HydrophobicContact CD1-CG 4.45Å; F574-E580 WeakPolarHBondContact CD1-O 3.26Å; F574-E580 HydrophobicContact CE1-CG 4.34Å; E580-H883 IonicContact OE1-CE1 3.63Å; E580-F899 HydrophobicContact CB-CB 4.4Å; E580-F899 HydrophobicContact CG-CB 4.32Å; E580-F899 PolarHBondContact N-O 3.41Å; E580-F899 WeakPolarHBondContact OE1-CD2 3.49Å |
| 581 | A | 92.3 | Very high | 79.1 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 157.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R583 W914 | A581-R583 PolarHBondContact O-N 3.33Å; A581-W914 HydrophobicContact CB-CZ2 4.06Å |
| 582 | Y | 92.6 | Very high | 76.4 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 11% | 0.106 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 134.5 | 176.8 | 175.4 | -91.8 | 0 | 0 | 0 | 111.7 | R545 R546 A549 E561 F574 A584 | R545-Y582 HydrophobicContact CB-CE1 3.98Å; R545-Y582 WeakPolarHBondContact CD-OH 3.41Å; R546-Y582 HydrophobicContact CG-CE1 4.32Å; A549-Y582 HydrophobicContact CB-CD1 3.84Å; A549-Y582 HydrophobicContact CB-CG 4.02Å; E561-Y582 HydrophobicContact CG-CD2 4.12Å; E561-Y582 HydrophobicContact CG-CE2 3.99Å; F574-Y582 AromaticContact CE2-CD2 3.75Å; F574-Y582 HydrophobicContact CE2-CD2 3.75Å; F574-Y582 HydrophobicContact CE2-CG 4.33Å; F574-Y582 AromaticContact CZ-CD2 3.71Å; F574-Y582 HydrophobicContact CZ-CD2 3.71Å; F574-Y582 HydrophobicContact CZ-CG 4.27Å; Y582-A584 HydrophobicContact CE1-CB 4.34Å |
| 583 | R | 84.9 | Confident | 73.5 | Confident | 186 Ų | 186 | 55.4 Ų | 55.4 | 70% | 0.702 | 33% | 0.327 | S | S | * | . | trans | -129.3 | 129.8 | 171.3 | -67.3 | 178.7 | 176.8 | 175.3 | -3.3 | 108.6 | A581 | A581-R583 PolarHBondContact O-N 3.33Š| ||
| 584 | A | 73.3 | Confident | 70.5 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | trans | -64.3 | 148.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F542 R546 Y582 | F542-A584 HydrophobicContact CD1-CB 4.4Å; R546-A584 HydrophobicContact CG-CB 4.22Å; Y582-A584 HydrophobicContact CE1-CB 4.34Å | ||
| 585 | P | 69.9 | Low | 68 | Low | 56 Ų | 56 | 63.3 Ų | 63.3 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -57.7 | 144.9 | 176 | -21.4 | 32.1 | 0 | 0 | 0 | 111.9 | F542 S587 A588 A589 | F542-P585 VanDerWaalsContact CE1-CD 3.41Å; F542-P585 HydrophobicContact CE1-CG 3.78Å; F542-P585 HydrophobicContact CZ-CG 4.1Å; P585-S587 PolarHBondContact O-N 2.84Å; P585-A588 VanDerWaalsContact O-CB 3.31Å; P585-A588 WeakPolarHBondContact O-CB 3.42Å; P585-A588 PolarHBondContact O-N 3.3Å; P585-A589 PolarHBondContact O-N 3.14Å | ||
| 586 | A | 57.1 | Low | 65.6 | Low | 89 Ų | 89 | 66.2 Ų | 66.2 | 74% | 0.736 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.7 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A588 A589 A590 | A586-A588 VanDerWaalsContact C-N 3.31Å; A586-A588 PolarHBondContact O-N 2.75Å; A586-A589 PolarHBondContact O-N 3.35Å; A586-A590 PolarHBondContact O-N 2.56Å; A586-A590 VanDerWaalsContact O-N 3.15Å |
| 587 | S | 51.7 | Low | 63.3 | Low | 85 Ų | 85 | 69.8 Ų | 69.8 | 59% | 0.594 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.9 | -30.2 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | P585 A590 S591 | P585-S587 PolarHBondContact O-N 2.84Å; S587-A590 PolarHBondContact O-N 3.14Å; S587-S591 WeakPolarHBondContact O-CB 3.28Å; S587-S591 PolarHBondContact O-N 2.75Å; S587-S591 PolarHBondContact O-OG 3.05Å |
| 588 | A | 49.8 | Very low | 61.3 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.008 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F542 P585 A586 A590 S591 E592 | F542-A588 HydrophobicContact CB-CB 4.45Å; F542-A588 HydrophobicContact CD1-CB 4.24Å; F542-A588 HydrophobicContact CD2-CB 3.54Å; F542-A588 HydrophobicContact CE1-CB 4.38Å; F542-A588 HydrophobicContact CE2-CB 3.69Å; F542-A588 HydrophobicContact CG-CB 3.83Å; F542-A588 HydrophobicContact CZ-CB 4.12Å; P585-A588 VanDerWaalsContact O-CB 3.31Å; P585-A588 WeakPolarHBondContact O-CB 3.42Å; P585-A588 PolarHBondContact O-N 3.3Å; A586-A588 VanDerWaalsContact C-N 3.31Å; A586-A588 PolarHBondContact O-N 2.75Å; A588-A590 PolarHBondContact O-N 2.58Å; A588-S591 WeakPolarHBondContact CA-OG 3.33Å; A588-S591 PolarHBondContact O-N 2.99Å; A588-S591 PolarHBondContact O-OG 3.06Å; A588-E592 VanDerWaalsContact O-CB 3.32Å; A588-E592 WeakPolarHBondContact O-CB 3.33Å; A588-E592 WeakPolarHBondContact O-CG 3.45Å; A588-E592 PolarHBondContact O-N 3.45Å |
| 589 | A | 41.2 | Very low | 59.2 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.5 | -30.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P585 A586 | P585-A589 PolarHBondContact O-N 3.14Å; A586-A589 PolarHBondContact O-N 3.35Å |
| 590 | A | 38.6 | Very low | 57.4 | Low | 61 Ų | 61 | 73.9 Ų | 73.9 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -80.4 | -31.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A586 S587 A588 A594 | A586-A590 PolarHBondContact O-N 2.56Å; A586-A590 VanDerWaalsContact O-N 3.15Å; S587-A590 PolarHBondContact O-N 3.14Å; A588-A590 PolarHBondContact O-N 2.58Å; A590-A594 WeakPolarHBondContact O-CB 3.39Å; A590-A594 PolarHBondContact O-N 2.82Å |
| 591 | S | 44.5 | Very low | 55.9 | Low | 87 Ų | 87 | 72.4 Ų | 72.4 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -88.2 | -30.1 | -177 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | S587 A588 D593 | S587-S591 WeakPolarHBondContact O-CB 3.28Å; S587-S591 PolarHBondContact O-N 2.75Å; S587-S591 PolarHBondContact O-OG 3.05Å; A588-S591 WeakPolarHBondContact CA-OG 3.33Å; A588-S591 PolarHBondContact O-N 2.99Å; A588-S591 PolarHBondContact O-OG 3.06Å; S591-D593 VanDerWaalsContact C-N 3.34Å |
| 592 | E | 42.1 | Very low | 54.6 | Low | 88 Ų | 88 | 75.5 Ų | 75.5 | 41% | 0.411 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -75.6 | -25.4 | 179.5 | -71 | -176.6 | 158.8 | 0 | 0 | 112 | F542 A588 | F542-E592 WeakPolarHBondContact CB-OE1 3.21Å; A588-E592 VanDerWaalsContact O-CB 3.32Å; A588-E592 WeakPolarHBondContact O-CB 3.33Å; A588-E592 WeakPolarHBondContact O-CG 3.45Å; A588-E592 PolarHBondContact O-N 3.45Å |
| 593 | D | 36.2 | Very low | 53.7 | Low | 133 Ų | 133 | 75.9 Ų | 75.9 | 71% | 0.711 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -123.3 | 5.9 | -175 | -74.1 | -40.7 | 0 | 0 | 0 | 115.4 | S591 P595 | S591-D593 VanDerWaalsContact C-N 3.34Å; D593-P595 WeakPolarHBondContact O-CD 3.31Å |
| 594 | A | 34.2 | Very low | 53.4 | Low | 68 Ų | 68 | 68.4 Ų | 68.4 | 56% | 0.562 | 43% | 0.429 | S | S | * | . | trans | -98.3 | 82.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A590 Y596 | A590-A594 WeakPolarHBondContact O-CB 3.39Å; A590-A594 PolarHBondContact O-N 2.82Å; A594-Y596 PolarHBondContact O-N 3.46Å | ||
| 595 | P | 44.4 | Very low | 53.7 | Low | 104 Ų | 104 | 66.9 Ų | 66.9 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | trans | -57.1 | 130 | 162.1 | 26.4 | -30.5 | 0 | 0 | 0 | 106.7 | D593 | D593-P595 WeakPolarHBondContact O-CD 3.31Š| ||
| 596 | Y | 46.7 | Very low | 54 | Low | 103 Ų | 103 | 65.7 Ų | 65.7 | 40% | 0.404 | 41% | 0.41 | S | S | . | . | trans | -45.9 | 133.9 | 163.1 | -68 | -68.9 | 0 | 0 | 0 | 107.3 | A594 V598 V601 H610 | A594-Y596 PolarHBondContact O-N 3.46Å; Y596-V598 PolarHBondContact O-N 3.01Å; Y596-V601 HydrophobicContact CD2-CG2 4.18Å; Y596-V601 HydrophobicContact CG-CG2 4.08Å; Y596-H610 AromaticContact CD1-CD2 3.52Å; Y596-H610 AromaticContact CD1-NE2 3.24Å; Y596-H610 WeakPolarHBondContact CD1-NE2 3.22Å; Y596-H610 AromaticContact CE1-CD2 3.51Å; Y596-H610 AromaticContact CE1-NE2 3.24Å; Y596-H610 WeakPolarHBondContact CE1-NE2 3.21Å; Y596-H610 AromaticContact CG-CD2 3.83Å; Y596-H610 AromaticContact CG-NE2 3.99Å; Y596-H610 AromaticContact CZ-CD2 3.8Å; Y596-H610 AromaticContact CZ-NE2 4Å | ||
| 597 | P | 47.5 | Very low | 54.9 | Low | 86 Ų | 86 | 63.7 Ų | 63.7 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | trans | -48.2 | 126.4 | -178.9 | -27.9 | 32.8 | 0 | 0 | 0 | 109.1 | C599 T600 V601 | P597-C599 PolarHBondContact O-N 3.34Å; P597-T600 WeakPolarHBondContact O-CA 3.3Å; P597-T600 VanDerWaalsContact O-CB 3.29Å; P597-T600 WeakPolarHBondContact O-CB 3.35Å; P597-T600 PolarHBondContact O-N 2.96Å; P597-V601 PolarHBondContact O-N 2.92Å | ||
| 598 | V | 53.9 | Low | 56.2 | Low | 102 Ų | 102 | 60.1 Ų | 60.1 | 62% | 0.618 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -51.9 | -33.6 | -171.7 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | Y596 R602 | Y596-V598 PolarHBondContact O-N 3.01Å; V598-R602 WeakPolarHBondContact O-CB 3.37Å; V598-R602 PolarHBondContact O-N 3.13Å |
| 599 | C | 52 | Low | 57.6 | Low | 82 Ų | 82 | 63.7 Ų | 63.7 | 55% | 0.554 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.9 | -38.2 | 173.8 | -64.4 | 0 | 0 | 0 | 0 | 114 | P597 H603 F604 | P597-C599 PolarHBondContact O-N 3.34Å; C599-H603 WeakPolarHBondContact O-CB 3.28Å; C599-H603 PolarHBondContact O-N 3.39Å; C599-F604 PolarHBondContact O-N 3.29Å |
| 600 | T | 57.8 | Low | 59.4 | Low | 38 Ų | 38 | 61.4 Ų | 61.4 | 23% | 0.233 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.2 | -51.9 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111 | P597 R602 F604 | P597-T600 WeakPolarHBondContact O-CA 3.3Å; P597-T600 VanDerWaalsContact O-CB 3.29Å; P597-T600 WeakPolarHBondContact O-CB 3.35Å; P597-T600 PolarHBondContact O-N 2.96Å; T600-R602 PolarHBondContact O-N 2.98Å; T600-F604 CarbonylContact O-C 3.59Å; T600-F604 PolarHBondContact O-N 3.44Å; T600-F604 VanDerWaalsContact O-N 3.12Å |
| 601 | V | 62.5 | Low | 61.7 | Low | 11 Ų | 11 | 58.6 Ų | 58.6 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | Y596 P597 W614 R828 | Y596-V601 HydrophobicContact CD2-CG2 4.18Å; Y596-V601 HydrophobicContact CG-CG2 4.08Å; P597-V601 PolarHBondContact O-N 2.92Å; V601-W614 HydrophobicContact CG1-CB 3.73Å; V601-R828 PolarHBondContact O-NH2 3.24Å; V601-R828 VanDerWaalsContact O-NH2 3.11Å |
| 602 | R | 66 | Low | 63.6 | Low | 80 Ų | 80 | 54.5 Ų | 54.5 | 30% | 0.302 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -80.3 | -33.2 | -171.5 | -164.8 | 179.2 | -165.9 | 126 | 18.2 | 114.7 | V598 T600 N772 R828 | V598-R602 WeakPolarHBondContact O-CB 3.37Å; V598-R602 PolarHBondContact O-N 3.13Å; T600-R602 PolarHBondContact O-N 2.98Å; R602-N772 PolarHBondContact NE-ND2 3.13Å; R602-N772 PolarHBondContact NH2-ND2 3.2Å; R602-N772 PolarHBondContact NH2-OD1 3.12Å; R602-R828 PolarHBondContact O-NH2 3.37Å |
| 603 | H | 72.7 | Confident | 65.4 | Low | 35 Ų | 35 | 53.8 Ų | 53.8 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -130.8 | -28.9 | -171.3 | -64.4 | -60.5 | 0 | 0 | 0 | 115 | C599 P605 L688 Y832 | C599-H603 WeakPolarHBondContact O-CB 3.28Å; C599-H603 PolarHBondContact O-N 3.39Å; H603-P605 VanDerWaalsContact C-CD 3.44Å; H603-L688 HydrophobicContact CB-CD1 4.46Å; H603-Y832 WeakPolarHBondContact O-CE1 3.43Å; H603-Y832 PolarHBondContact O-OH 3.14Å |
| 604 | F | 78.8 | Confident | 67.8 | Low | 30 Ų | 30 | 48 Ų | 48 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | trans | -132 | 55.6 | -172.3 | -47.8 | -65.7 | 0 | 0 | 0 | 112.1 | C599 T600 L688 F692 F704 W705 K709 | C599-F604 PolarHBondContact O-N 3.29Å; T600-F604 CarbonylContact O-C 3.59Å; T600-F604 PolarHBondContact O-N 3.44Å; T600-F604 VanDerWaalsContact O-N 3.12Å; F604-L688 HydrophobicContact CE1-CD1 4.42Å; F604-F692 HydrophobicContact CZ-CE2 4.35Å; F604-F704 AromaticContact CE1-CE1 3.98Å; F604-F704 HydrophobicContact CE1-CE1 3.98Å; F604-F704 AromaticContact CE1-CZ 3.91Å; F604-F704 HydrophobicContact CE1-CZ 3.91Å; F604-F704 HydrophobicContact CZ-CE1 4.43Å; F604-F704 AromaticContact CZ-CZ 3.91Å; F604-F704 HydrophobicContact CZ-CZ 3.91Å; F604-W705 HydrophobicContact CD1-CH2 4.27Å; F604-W705 AromaticContact CD1-CZ3 3.82Å; F604-W705 HydrophobicContact CD1-CZ3 3.82Å; F604-W705 AromaticContact CE1-CH2 3.97Å; F604-W705 HydrophobicContact CE1-CH2 3.97Å; F604-W705 AromaticContact CE1-CZ3 3.93Å; F604-W705 HydrophobicContact CE1-CZ3 3.93Å; F604-K709 HydrophobicContact CB-CG 4.25Å; F604-K709 HydrophobicContact CD1-CG 4.32Å; F604-K709 HydrophobicContact CG-CG 4.25Å | ||
| 605 | P | 80.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -63.2 | 149.2 | 175.1 | 30 | -36.7 | 0 | 0 | 0 | 109.7 | H603 H610 T611 Y832 I834 | H603-P605 VanDerWaalsContact C-CD 3.44Å; P605-H610 HydrophobicContact CB-CB 3.82Å; P605-T611 HydrophobicContact CB-CG2 3.86Å; P605-T611 HydrophobicContact CG-CG2 4.27Å; P605-Y832 VanDerWaalsContact CD-CZ 3.5Å; P605-Y832 HydrophobicContact CG-CD1 3.94Å; P605-Y832 HydrophobicContact CG-CD2 3.57Å; P605-Y832 HydrophobicContact CG-CE1 3.93Å; P605-Y832 HydrophobicContact CG-CE2 3.57Å; P605-Y832 HydrophobicContact CG-CG 3.77Å; P605-I834 HydrophobicContact CB-CD1 4.13Å; P605-I834 HydrophobicContact CG-CD1 4.42Å | ||
| 606 | S | 75.6 | Confident | 72.4 | Confident | 32 Ų | 32 | 42 Ų | 42 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | trans | -136.6 | -15.7 | -176 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | H610 P708 Q710 | S606-H610 PolarHBondContact N-ND1 2.84Å; S606-H610 PolarHBondContact OG-CE1 3.29Å; S606-H610 PolarHBondContact OG-ND1 2.77Å; S606-P708 WeakPolarHBondContact CB-O 2.94Å; S606-Q710 PolarHBondContact O-NE2 3.2Å | ||
| 607 | T | 76.8 | Confident | 74.1 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 29% | 0.288 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -132.6 | 165.4 | 178.4 | 78 | 0 | 0 | 0 | 0 | 110.2 | E609 H610 T611 | T607-E609 VanDerWaalsContact C-N 3.28Å; T607-E609 WeakPolarHBondContact CB-OE2 3.46Å; T607-E609 PolarHBondContact O-N 2.81Å; T607-E609 PolarHBondContact OG1-N 3.25Å; T607-E609 PolarHBondContact OG1-OE2 2.83Å; T607-H610 PolarHBondContact O-N 3.33Å; T607-H610 PolarHBondContact OG1-N 2.8Å; T607-T611 PolarHBondContact O-N 3.25Å |
| 608 | A | 79.6 | Confident | 75.8 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -28.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H610 T611 L612 V837 | A608-H610 VanDerWaalsContact C-N 3.35Å; A608-T611 PolarHBondContact O-N 3.31Å; A608-T611 PolarHBondContact O-OG1 3.4Å; A608-L612 WeakPolarHBondContact O-CB 3.25Å; A608-L612 VanDerWaalsContact O-CG 3.26Å; A608-L612 WeakPolarHBondContact O-CG 3.36Å; A608-L612 PolarHBondContact O-N 3.41Å; A608-V837 HydrophobicContact CB-CG1 3.64Å; A608-V837 HydrophobicContact CB-CG2 4.45Å |
| 609 | E | 77.8 | Confident | 77.6 | Confident | 77 Ų | 77 | 33 Ų | 33 | 36% | 0.36 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.6 | -58.8 | 75.6 | -164.8 | 0 | 0 | 111 | T607 T611 L612 Q613 I845 | T607-E609 VanDerWaalsContact C-N 3.28Å; T607-E609 WeakPolarHBondContact CB-OE2 3.46Å; T607-E609 PolarHBondContact O-N 2.81Å; T607-E609 PolarHBondContact OG1-N 3.25Å; T607-E609 PolarHBondContact OG1-OE2 2.83Å; E609-T611 VanDerWaalsContact C-N 3.3Å; E609-T611 PolarHBondContact O-N 3.47Å; E609-L612 PolarHBondContact O-N 2.87Å; E609-Q613 WeakPolarHBondContact O-CB 3.49Å; E609-Q613 PolarHBondContact O-N 3.35Å; E609-I845 HydrophobicContact CG-CG2 4.36Å |
| 610 | H | 79.4 | Confident | 79.1 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 174.6 | -63.6 | 167.2 | 0 | 0 | 0 | 111.8 | Y596 P605 S606 T607 A608 W614 | Y596-H610 AromaticContact CD1-CD2 3.52Å; Y596-H610 AromaticContact CD1-NE2 3.24Å; Y596-H610 WeakPolarHBondContact CD1-NE2 3.22Å; Y596-H610 AromaticContact CE1-CD2 3.51Å; Y596-H610 AromaticContact CE1-NE2 3.24Å; Y596-H610 WeakPolarHBondContact CE1-NE2 3.21Å; Y596-H610 AromaticContact CG-CD2 3.83Å; Y596-H610 AromaticContact CG-NE2 3.99Å; Y596-H610 AromaticContact CZ-CD2 3.8Å; Y596-H610 AromaticContact CZ-NE2 4Å; P605-H610 HydrophobicContact CB-CB 3.82Å; S606-H610 PolarHBondContact N-ND1 2.84Å; S606-H610 PolarHBondContact OG-CE1 3.29Å; S606-H610 PolarHBondContact OG-ND1 2.77Å; T607-H610 PolarHBondContact O-N 3.33Å; T607-H610 PolarHBondContact OG1-N 2.8Å; A608-H610 VanDerWaalsContact C-N 3.35Å; H610-W614 WeakPolarHBondContact O-CB 3.12Å; H610-W614 PolarHBondContact O-N 3.25Å; H610-W614 VanDerWaalsContact O-N 3.13Å |
| 611 | T | 86.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.8 | -33.4 | 179.9 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | P605 T607 A608 E609 A615 R828 C829 I834 | P605-T611 HydrophobicContact CB-CG2 3.86Å; P605-T611 HydrophobicContact CG-CG2 4.27Å; T607-T611 PolarHBondContact O-N 3.25Å; A608-T611 PolarHBondContact O-N 3.31Å; A608-T611 PolarHBondContact O-OG1 3.4Å; E609-T611 VanDerWaalsContact C-N 3.3Å; E609-T611 PolarHBondContact O-N 3.47Å; T611-A615 WeakPolarHBondContact O-CB 3.43Å; T611-A615 PolarHBondContact O-N 3.01Å; T611-R828 HydrophobicContact CG2-CB 4.12Å; T611-R828 HydrophobicContact CG2-CG 3.9Å; T611-C829 PolarHBondContact OG1-SG 3.49Å; T611-I834 HydrophobicContact CG2-CD1 3.98Å |
| 612 | L | 84.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.3 | -44.7 | 173.9 | -74.9 | 166.1 | 0 | 0 | 0 | 112.2 | A608 E609 W614 A615 R616 V821 A825 V837 I845 V846 | A608-L612 WeakPolarHBondContact O-CB 3.25Å; A608-L612 VanDerWaalsContact O-CG 3.26Å; A608-L612 WeakPolarHBondContact O-CG 3.36Å; A608-L612 PolarHBondContact O-N 3.41Å; E609-L612 PolarHBondContact O-N 2.87Å; L612-W614 VanDerWaalsContact C-N 3.32Å; L612-W614 PolarHBondContact O-N 3.36Å; L612-A615 PolarHBondContact O-N 2.99Å; L612-R616 WeakPolarHBondContact O-CB 3.48Å; L612-R616 PolarHBondContact O-N 3.45Å; L612-V821 HydrophobicContact CD2-CG1 4.33Å; L612-A825 HydrophobicContact CB-CB 4.48Å; L612-A825 HydrophobicContact CD2-CB 3.49Å; L612-A825 VanDerWaalsContact CD2-CB 3.49Å; L612-A825 HydrophobicContact CG-CB 3.87Å; L612-V837 HydrophobicContact CD1-CG2 3.89Å; L612-I845 HydrophobicContact CB-CG2 4.42Å; L612-I845 HydrophobicContact CD1-CB 3.81Å; L612-I845 HydrophobicContact CD1-CD1 3.6Å; L612-I845 HydrophobicContact CD1-CG1 4.31Å; L612-I845 HydrophobicContact CD1-CG2 3.69Å; L612-V846 HydrophobicContact CB-CG2 3.89Å; L612-V846 HydrophobicContact CD2-CG2 3.64Å; L612-V846 HydrophobicContact CG-CG2 4.23Å |
| 613 | Q | 79.9 | Confident | 82.2 | Confident | 73 Ų | 73 | 25.3 Ų | 25.3 | 34% | 0.341 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.5 | -45 | 173.8 | -173.4 | 60.8 | 51.5 | 0 | 0 | 110.6 | E609 A615 R616 D617 | E609-Q613 WeakPolarHBondContact O-CB 3.49Å; E609-Q613 PolarHBondContact O-N 3.35Å; Q613-A615 VanDerWaalsContact C-N 3.32Å; Q613-A615 PolarHBondContact O-N 3.01Å; Q613-R616 PolarHBondContact O-N 3.31Å; Q613-D617 PolarHBondContact NE2-OD1 3.22Å; Q613-D617 PolarHBondContact O-N 3.46Å |
| 614 | W | 87.3 | Confident | 82.8 | Confident | 11 Ų | 11 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 173.8 | 173.1 | 80.5 | 0 | 0 | 0 | 112.2 | V601 H610 L612 R616 D617 E618 R680 F681 A824 R828 | V601-W614 HydrophobicContact CG1-CB 3.73Å; H610-W614 WeakPolarHBondContact O-CB 3.12Å; H610-W614 PolarHBondContact O-N 3.25Å; H610-W614 VanDerWaalsContact O-N 3.13Å; L612-W614 VanDerWaalsContact C-N 3.32Å; L612-W614 PolarHBondContact O-N 3.36Å; W614-R616 VanDerWaalsContact C-N 3.33Å; W614-R616 PolarHBondContact O-N 2.85Å; W614-D617 PolarHBondContact O-N 3.29Å; W614-E618 HydrophobicContact CD2-CG 3.92Å; W614-E618 VanDerWaalsContact CE2-CG 3.5Å; W614-E618 HydrophobicContact CE3-CG 4.29Å; W614-E618 HydrophobicContact CH2-CG 4.01Å; W614-E618 HydrophobicContact CZ2-CG 3.56Å; W614-E618 HydrophobicContact CZ3-CG 4.35Å; W614-E618 VanDerWaalsContact O-CG 3.23Å; W614-E618 WeakPolarHBondContact O-CG 3.45Å; W614-E618 PolarHBondContact O-N 2.65Å; W614-R680 HydrophobicContact CH2-CB 4.24Å; W614-R680 HydrophobicContact CH2-CG 4.43Å; W614-R680 HydrophobicContact CZ2-CB 4.37Å; W614-R680 HydrophobicContact CZ2-CG 4.35Å; W614-F681 AromaticContact CH2-CE1 3.8Å; W614-F681 HydrophobicContact CH2-CE1 3.8Å; W614-F681 AromaticContact CH2-CZ 3.96Å; W614-F681 HydrophobicContact CH2-CZ 3.96Å; W614-F681 AromaticContact CZ3-CE1 3.95Å; W614-F681 HydrophobicContact CZ3-CE1 3.95Å; W614-F681 HydrophobicContact CZ3-CZ 4.17Å; W614-A824 HydrophobicContact CZ3-CB 4.13Å; W614-R828 VanDerWaalsContact CE2-NH1 3.3Å; W614-R828 HydrophobicContact CE3-CB 4.34Å; W614-R828 HydrophobicContact CE3-CG 4.41Å; W614-R828 HydrophobicContact CZ3-CB 4.25Å |
| 615 | A | 90.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.3 | -34.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T611 L612 Q613 E618 F619 V821 A824 A825 | T611-A615 WeakPolarHBondContact O-CB 3.43Å; T611-A615 PolarHBondContact O-N 3.01Å; L612-A615 PolarHBondContact O-N 2.99Å; Q613-A615 VanDerWaalsContact C-N 3.32Å; Q613-A615 PolarHBondContact O-N 3.01Å; A615-E618 PolarHBondContact O-N 2.91Å; A615-F619 PolarHBondContact O-N 3.44Å; A615-V821 HydrophobicContact CB-CG1 3.78Å; A615-V821 WeakPolarHBondContact CB-O 3.38Å; A615-A824 HydrophobicContact CB-CB 3.75Å; A615-A825 HydrophobicContact CB-CB 4Å |
| 616 | R | 84.4 | Confident | 82.7 | Confident | 47 Ų | 47 | 29 Ų | 29 | 18% | 0.177 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 174 | -176.7 | 62 | 179.5 | 99.2 | 10.5 | 111.9 | L612 Q613 W614 E618 F619 E620 F808 V846 | L612-R616 WeakPolarHBondContact O-CB 3.48Å; L612-R616 PolarHBondContact O-N 3.45Å; Q613-R616 PolarHBondContact O-N 3.31Å; W614-R616 VanDerWaalsContact C-N 3.33Å; W614-R616 PolarHBondContact O-N 2.85Å; R616-E618 VanDerWaalsContact C-N 3.31Å; R616-F619 WeakPolarHBondContact O-CB 3.3Å; R616-F619 PolarHBondContact O-N 2.87Å; R616-E620 IonicContact CZ-OE1 2.97Å; R616-E620 VanDerWaalsContact NH1-CD 3.32Å; R616-E620 VanDerWaalsContact NH1-CG 3.26Å; R616-E620 IonicContact NH1-OE1 3.24Å; R616-E620 PolarHBondContact NH1-OE1 3.15Å; R616-E620 IonicContact NH2-OE1 2.86Å; R616-E620 PolarHBondContact NH2-OE1 2.79Å; R616-E620 PolarHBondContact O-N 2.86Å; R616-E620 VanDerWaalsContact O-N 3.08Å; R616-F808 VanDerWaalsContact NH1-CB 3.26Å; R616-V846 HydrophobicContact CB-CG1 4.22Å; R616-V846 HydrophobicContact CG-CG1 4.12Å |
| 617 | D | 80.9 | Confident | 83.1 | Confident | 80 Ų | 80 | 27.5 Ų | 27.5 | 43% | 0.428 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 174.6 | -63.1 | -11.9 | 0 | 0 | 0 | 111.2 | Q613 W614 E620 G621 | Q613-D617 PolarHBondContact NE2-OD1 3.22Å; Q613-D617 PolarHBondContact O-N 3.46Å; W614-D617 PolarHBondContact O-N 3.29Å; D617-E620 PolarHBondContact O-N 2.83Å; D617-G621 PolarHBondContact O-N 2.88Å |
| 618 | E | 85.1 | Confident | 83.3 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 173.4 | -70.9 | -82.1 | 131.3 | 0 | 0 | 111.3 | W614 A615 R616 G621 L622 H676 R680 | W614-E618 HydrophobicContact CD2-CG 3.92Å; W614-E618 VanDerWaalsContact CE2-CG 3.5Å; W614-E618 HydrophobicContact CE3-CG 4.29Å; W614-E618 HydrophobicContact CH2-CG 4.01Å; W614-E618 HydrophobicContact CZ2-CG 3.56Å; W614-E618 HydrophobicContact CZ3-CG 4.35Å; W614-E618 VanDerWaalsContact O-CG 3.23Å; W614-E618 WeakPolarHBondContact O-CG 3.45Å; W614-E618 PolarHBondContact O-N 2.65Å; A615-E618 PolarHBondContact O-N 2.91Å; R616-E618 VanDerWaalsContact C-N 3.31Å; E618-G621 PolarHBondContact O-N 3.27Å; E618-L622 HydrophobicContact CB-CD1 4.49Å; E618-L622 VanDerWaalsContact O-CB 3.25Å; E618-L622 WeakPolarHBondContact O-CB 3.4Å; E618-L622 WeakPolarHBondContact O-CD1 3.26Å; E618-L622 WeakPolarHBondContact O-CG 3.46Å; E618-L622 PolarHBondContact O-N 3.32Å; E618-H676 IonicContact OE2-CE1 3.31Å; E618-H676 PolarHBondContact OE2-CE1 3.04Å; E618-H676 IonicContact OE2-NE2 2.84Å; E618-R680 VanDerWaalsContact CD-CZ 3.41Å; E618-R680 VanDerWaalsContact CD-NH2 3.32Å; E618-R680 IonicContact OE1-CZ 3.46Å; E618-R680 IonicContact OE1-NH1 3.89Å; E618-R680 PolarHBondContact OE1-NH1 3.35Å; E618-R680 IonicContact OE1-NH2 3.35Å; E618-R680 PolarHBondContact OE1-NH2 3.15Å; E618-R680 IonicContact OE2-CZ 2.71Å; E618-R680 IonicContact OE2-NE 3.93Å; E618-R680 PolarHBondContact OE2-NE 3.18Å; E618-R680 IonicContact OE2-NH1 2.75Å; E618-R680 PolarHBondContact OE2-NH1 3.42Å; E618-R680 IonicContact OE2-NH2 3.67Å; E618-R680 PolarHBondContact OE2-NH2 3.31Å |
| 619 | F | 90.3 | Very high | 83 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -51.6 | 173.7 | 178.2 | -81.2 | 0 | 0 | 0 | 111.7 | A615 R616 G621 L622 F623 L734 L806 F808 H817 F820 V821 | A615-F619 PolarHBondContact O-N 3.44Å; R616-F619 WeakPolarHBondContact O-CB 3.3Å; R616-F619 PolarHBondContact O-N 2.87Å; F619-G621 VanDerWaalsContact C-N 3.34Å; F619-G621 PolarHBondContact O-N 2.98Å; F619-L622 PolarHBondContact O-N 3.44Å; F619-F623 HydrophobicContact CB-CD2 4.46Å; F619-F623 AromaticContact CD2-CD2 3.57Å; F619-F623 HydrophobicContact CD2-CD2 3.57Å; F619-F623 AromaticContact CD2-CE2 4Å; F619-F623 HydrophobicContact CD2-CE2 4Å; F619-F623 AromaticContact CE2-CD2 3.86Å; F619-F623 HydrophobicContact CE2-CD2 3.86Å; F619-F623 HydrophobicContact CE2-CE2 4.47Å; F619-F623 AromaticContact CG-CD2 4Å; F619-F623 HydrophobicContact CG-CD2 4Å; F619-F623 WeakPolarHBondContact O-CD2 3.3Å; F619-F623 PolarHBondContact O-N 3.22Å; F619-L734 HydrophobicContact CD2-CD1 4.04Å; F619-L734 HydrophobicContact CE2-CD1 3.74Å; F619-L734 HydrophobicContact CE2-CD2 4.26Å; F619-L806 HydrophobicContact CZ-CB 4.27Å; F619-F808 HydrophobicContact CD1-CB 4.08Å; F619-F808 AromaticContact CD1-CD2 3.91Å; F619-F808 HydrophobicContact CD1-CD2 3.91Å; F619-F808 HydrophobicContact CD1-CG 4.46Å; F619-F808 HydrophobicContact CD2-CD2 4.32Å; F619-F808 HydrophobicContact CE1-CB 3.66Å; F619-F808 AromaticContact CE1-CD2 3.9Å; F619-F808 HydrophobicContact CE1-CD2 3.9Å; F619-F808 HydrophobicContact CE1-CG 4.29Å; F619-F808 HydrophobicContact CE2-CD2 4.29Å; F619-F808 HydrophobicContact CG-CD2 4.15Å; F619-F808 HydrophobicContact CZ-CB 4.32Å; F619-F808 HydrophobicContact CZ-CD2 4.09Å; F619-H817 HydrophobicContact CE2-CB 4.13Å; F619-H817 AromaticContact CE2-CD2 3.5Å; F619-H817 VanDerWaalsContact CE2-CD2 3.5Å; F619-H817 WeakPolarHBondContact CE2-CD2 3.4Å; F619-H817 AromaticContact CE2-CG 3.94Å; F619-H817 HydrophobicContact CZ-CB 4.42Å; F619-H817 AromaticContact CZ-CD2 3.51Å; F619-H817 AromaticContact CZ-CG 3.9Å; F619-H817 AromaticContact CZ-NE2 3.85Å; F619-F820 HydrophobicContact CB-CD1 4Å; F619-F820 HydrophobicContact CB-CE1 3.91Å; F619-F820 AromaticContact CD2-CD1 3.91Å; F619-F820 HydrophobicContact CD2-CD1 3.91Å; F619-F820 HydrophobicContact CD2-CE1 4.48Å; F619-F820 HydrophobicContact CG-CD1 4.47Å; F619-V821 HydrophobicContact CB-CG2 4.23Å |
| 620 | E | 83 | Confident | 82.9 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -58.9 | -46.5 | 178.9 | -74.2 | -62.8 | 151.9 | 0 | 0 | 111.3 | R616 D617 R624 L625 | R616-E620 IonicContact CZ-OE1 2.97Å; R616-E620 VanDerWaalsContact NH1-CD 3.32Å; R616-E620 VanDerWaalsContact NH1-CG 3.26Å; R616-E620 IonicContact NH1-OE1 3.24Å; R616-E620 PolarHBondContact NH1-OE1 3.15Å; R616-E620 IonicContact NH2-OE1 2.86Å; R616-E620 PolarHBondContact NH2-OE1 2.79Å; R616-E620 PolarHBondContact O-N 2.86Å; R616-E620 VanDerWaalsContact O-N 3.08Å; D617-E620 PolarHBondContact O-N 2.83Å; E620-R624 PolarHBondContact O-N 2.97Å; E620-R624 WeakPolarHBondContact OE2-CD 3.37Å; E620-R624 IonicContact OE2-NE 3.83Å; E620-R624 IonicContact OE2-NH1 3.68Å; E620-L625 PolarHBondContact O-N 3.21Å |
| 621 | G | 78.9 | Confident | 83 | Confident | 15 Ų | 15 | 25.6 Ų | 25.6 | 16% | 0.155 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -62 | -45.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D617 E618 F619 S626 | D617-G621 PolarHBondContact O-N 2.88Å; E618-G621 PolarHBondContact O-N 3.27Å; F619-G621 VanDerWaalsContact C-N 3.34Å; F619-G621 PolarHBondContact O-N 2.98Å; G621-S626 WeakPolarHBondContact O-CB 3.33Å; G621-S626 PolarHBondContact O-N 2.93Å; G621-S626 PolarHBondContact O-OG 3.03Å |
| 622 | L | 85.5 | Confident | 82.4 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -76.3 | -44 | -173.8 | -66.1 | 171.2 | 0 | 0 | 0 | 113 | E618 F619 S626 V658 W672 F820 | E618-L622 HydrophobicContact CB-CD1 4.49Å; E618-L622 VanDerWaalsContact O-CB 3.25Å; E618-L622 WeakPolarHBondContact O-CB 3.4Å; E618-L622 WeakPolarHBondContact O-CD1 3.26Å; E618-L622 WeakPolarHBondContact O-CG 3.46Å; E618-L622 PolarHBondContact O-N 3.32Å; F619-L622 PolarHBondContact O-N 3.44Å; L622-S626 WeakPolarHBondContact O-CB 3.05Å; L622-V658 HydrophobicContact CD2-CG2 3.35Å; L622-V658 HydrophobicContact CG-CG2 4.49Å; L622-W672 HydrophobicContact CD1-CH2 4.48Å; L622-W672 HydrophobicContact CD2-CZ2 4.28Å; L622-F820 HydrophobicContact CD1-CE2 4.38Å; L622-F820 HydrophobicContact CD1-CZ 3.72Å |
| 623 | F | 88.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -111.6 | -19.7 | -164.4 | -52.7 | -63.4 | 0 | 0 | 0 | 114.7 | F619 W672 L734 L806 F820 | F619-F623 HydrophobicContact CB-CD2 4.46Å; F619-F623 AromaticContact CD2-CD2 3.57Å; F619-F623 HydrophobicContact CD2-CD2 3.57Å; F619-F623 AromaticContact CD2-CE2 4Å; F619-F623 HydrophobicContact CD2-CE2 4Å; F619-F623 AromaticContact CE2-CD2 3.86Å; F619-F623 HydrophobicContact CE2-CD2 3.86Å; F619-F623 HydrophobicContact CE2-CE2 4.47Å; F619-F623 AromaticContact CG-CD2 4Å; F619-F623 HydrophobicContact CG-CD2 4Å; F619-F623 WeakPolarHBondContact O-CD2 3.3Å; F619-F623 PolarHBondContact O-N 3.22Å; F623-W672 AromaticContact CE1-CH2 3.78Å; F623-W672 HydrophobicContact CE1-CH2 3.78Å; F623-W672 HydrophobicContact CE1-CZ3 4.11Å; F623-W672 HydrophobicContact CZ-CH2 4.08Å; F623-W672 HydrophobicContact CZ-CZ3 4.37Å; F623-L734 HydrophobicContact CD1-CB 3.8Å; F623-L734 HydrophobicContact CD2-CB 4.25Å; F623-L734 HydrophobicContact CD2-CD1 4.02Å; F623-L734 HydrophobicContact CE1-CB 3.55Å; F623-L734 HydrophobicContact CE2-CB 4.03Å; F623-L734 HydrophobicContact CE2-CD1 3.58Å; F623-L734 HydrophobicContact CE2-CG 4.46Å; F623-L734 HydrophobicContact CG-CB 4.15Å; F623-L734 HydrophobicContact CZ-CB 3.67Å; F623-L734 HydrophobicContact CZ-CD1 3.92Å; F623-L734 HydrophobicContact CZ-CG 4.46Å; F623-L806 HydrophobicContact CB-CB 4.11Å; F623-L806 HydrophobicContact CB-CD1 4.14Å; F623-L806 HydrophobicContact CB-CG 4.31Å; F623-L806 PolarHBondContact O-N 3.13Å; F623-L806 VanDerWaalsContact O-N 3.14Å; F623-F820 HydrophobicContact CE2-CD1 4.11Å; F623-F820 HydrophobicContact CE2-CD2 4.15Å; F623-F820 AromaticContact CE2-CE1 3.96Å; F623-F820 HydrophobicContact CE2-CE1 3.96Å; F623-F820 AromaticContact CE2-CE2 3.99Å; F623-F820 HydrophobicContact CE2-CE2 3.99Å; F623-F820 HydrophobicContact CE2-CG 4.2Å; F623-F820 AromaticContact CE2-CZ 3.9Å; F623-F820 HydrophobicContact CE2-CZ 3.9Å; F623-F820 HydrophobicContact CZ-CD2 4.33Å; F623-F820 HydrophobicContact CZ-CE2 4.1Å; F623-F820 HydrophobicContact CZ-CZ 4.37Å |
| 624 | R | 84.7 | Confident | 81.4 | Confident | 72 Ų | 72 | 31.7 Ų | 31.7 | 27% | 0.272 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -108 | -67.1 | 177.6 | -171.4 | -164.4 | 174.5 | 170.3 | -2.5 | 112.1 | E620 S626 A627 E628 P805 M807 | E620-R624 PolarHBondContact O-N 2.97Å; E620-R624 WeakPolarHBondContact OE2-CD 3.37Å; E620-R624 IonicContact OE2-NE 3.83Å; E620-R624 IonicContact OE2-NH1 3.68Å; R624-S626 VanDerWaalsContact C-N 3.27Å; R624-S626 PolarHBondContact O-N 3.44Å; R624-A627 WeakPolarHBondContact O-CB 3.31Å; R624-A627 PolarHBondContact O-N 3.46Å; R624-E628 HydrophobicContact CG-CG 4.41Å; R624-E628 WeakPolarHBondContact CG-OE1 3.49Å; R624-E628 IonicContact CZ-OE1 3.06Å; R624-E628 IonicContact NE-OE1 2.94Å; R624-E628 PolarHBondContact NE-OE1 2.94Å; R624-E628 IonicContact NE-OE2 3.76Å; R624-E628 IonicContact NH2-OE1 2.71Å; R624-E628 PolarHBondContact O-N 2.99Å; R624-P805 HydrophobicContact CG-CB 4.21Å; R624-M807 HydrophobicContact CG-SD 4.35Å; R624-M807 PolarHBondContact NE-SD 3.4Å; R624-M807 VanDerWaalsContact NE-SD 3.39Å |
| 625 | L | 78.4 | Confident | 80.5 | Confident | 72 Ų | 72 | 38.5 Ų | 38.5 | 38% | 0.377 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -60.9 | -38.5 | -173.2 | -64.3 | 178.2 | 0 | 0 | 0 | 111.3 | E620 A627 T629 | E620-L625 PolarHBondContact O-N 3.21Å; L625-A627 PolarHBondContact O-N 3.34Å; L625-T629 VanDerWaalsContact O-CB 3.24Å; L625-T629 WeakPolarHBondContact O-CB 3.49Å; L625-T629 PolarHBondContact O-N 3.01Å; L625-T629 PolarHBondContact O-OG1 3.14Å |
| 626 | S | 79.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 174.4 | -68.4 | 0 | 0 | 0 | 0 | 112.8 | G621 L622 R624 I630 P654 | G621-S626 WeakPolarHBondContact O-CB 3.33Å; G621-S626 PolarHBondContact O-N 2.93Å; G621-S626 PolarHBondContact O-OG 3.03Å; L622-S626 WeakPolarHBondContact O-CB 3.05Å; R624-S626 VanDerWaalsContact C-N 3.27Å; R624-S626 PolarHBondContact O-N 3.44Å; S626-I630 WeakPolarHBondContact O-CG1 3.27Å; S626-I630 PolarHBondContact O-N 3.24Å; S626-P654 PolarHBondContact OG-O 3.1Å |
| 627 | A | 82.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.8 | -46.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R624 L625 T629 I630 N631 M738 L803 P805 | R624-A627 WeakPolarHBondContact O-CB 3.31Å; R624-A627 PolarHBondContact O-N 3.46Å; L625-A627 PolarHBondContact O-N 3.34Å; A627-T629 VanDerWaalsContact C-N 3.32Å; A627-T629 PolarHBondContact O-N 3.03Å; A627-I630 PolarHBondContact O-N 3.18Å; A627-N631 WeakPolarHBondContact O-CB 3.23Å; A627-N631 PolarHBondContact O-N 2.87Å; A627-N631 PolarHBondContact O-ND2 2.95Å; A627-N631 PolarHBondContact O-OD1 3.38Å; A627-M738 HydrophobicContact CB-CG 4.09Å; A627-M738 HydrophobicContact CB-SD 4.02Å; A627-L803 HydrophobicContact CB-CB 3.74Å; A627-L803 HydrophobicContact CB-CD1 4.3Å; A627-P805 HydrophobicContact CB-CB 4.07Å; A627-P805 HydrophobicContact CB-CG 3.96Å |
| 628 | E | 81 | Confident | 76.2 | Confident | 70 Ų | 70 | 47 Ų | 47 | 33% | 0.327 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 176.1 | -71.7 | 174.2 | 172.4 | 0 | 0 | 111.2 | R624 N631 H632 P805 | R624-E628 HydrophobicContact CG-CG 4.41Å; R624-E628 WeakPolarHBondContact CG-OE1 3.49Å; R624-E628 IonicContact CZ-OE1 3.06Å; R624-E628 IonicContact NE-OE1 2.94Å; R624-E628 PolarHBondContact NE-OE1 2.94Å; R624-E628 IonicContact NE-OE2 3.76Å; R624-E628 IonicContact NH2-OE1 2.71Å; R624-E628 PolarHBondContact O-N 2.99Å; E628-N631 PolarHBondContact O-N 3.08Å; E628-H632 WeakPolarHBondContact O-CB 3.41Å; E628-H632 PolarHBondContact O-N 2.99Å; E628-P805 HydrophobicContact CG-CB 3.91Å; E628-P805 HydrophobicContact CG-CG 3.81Å |
| 629 | T | 74 | Confident | 74.5 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 179.8 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | L625 A627 H633 L651 L652 V655 | L625-T629 VanDerWaalsContact O-CB 3.24Å; L625-T629 WeakPolarHBondContact O-CB 3.49Å; L625-T629 PolarHBondContact O-N 3.01Å; L625-T629 PolarHBondContact O-OG1 3.14Å; A627-T629 VanDerWaalsContact C-N 3.32Å; A627-T629 PolarHBondContact O-N 3.03Å; T629-H633 WeakPolarHBondContact O-CB 3.28Å; T629-H633 PolarHBondContact O-N 2.99Å; T629-H633 VanDerWaalsContact O-N 3.11Å; T629-L651 HydrophobicContact CG2-CD2 4.09Å; T629-L652 HydrophobicContact CG2-CD2 4.02Å; T629-V655 HydrophobicContact CG2-CG2 3.7Å |
| 630 | I | 76.5 | Confident | 72.8 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 174.8 | -71.6 | 170.4 | 0 | 0 | 0 | 110.7 | S626 A627 H632 H633 Q634 L659 W797 L803 | S626-I630 WeakPolarHBondContact O-CG1 3.27Å; S626-I630 PolarHBondContact O-N 3.24Å; A627-I630 PolarHBondContact O-N 3.18Å; I630-H632 VanDerWaalsContact C-N 3.33Å; I630-H632 PolarHBondContact O-N 2.87Å; I630-H633 PolarHBondContact O-N 3.34Å; I630-Q634 HydrophobicContact CG2-CG 4.24Å; I630-Q634 WeakPolarHBondContact O-CG 3.41Å; I630-Q634 PolarHBondContact O-N 3.31Å; I630-L659 HydrophobicContact CD1-CD1 3.19Å; I630-L659 HydrophobicContact CD1-CD2 3.55Å; I630-L659 HydrophobicContact CD1-CG 3.94Å; I630-L659 HydrophobicContact CG1-CD1 3.91Å; I630-W797 HydrophobicContact CD1-CB 4.39Å; I630-W797 HydrophobicContact CD1-CD2 4.17Å; I630-W797 HydrophobicContact CD1-CE3 4Å; I630-W797 HydrophobicContact CD1-CG 4.34Å; I630-W797 HydrophobicContact CG1-CB 4.43Å; I630-W797 HydrophobicContact CG2-CB 4.29Å; I630-L803 HydrophobicContact CB-CD1 4.37Å; I630-L803 HydrophobicContact CD1-CD1 3.39Å; I630-L803 HydrophobicContact CD1-CG 4.43Å; I630-L803 HydrophobicContact CG1-CD1 4.45Å |
| 631 | N | 81.6 | Confident | 71.1 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -41 | -175.8 | -71.1 | -10.6 | 0 | 0 | 0 | 111.7 | A627 E628 Q634 Q635 P802 L803 | A627-N631 WeakPolarHBondContact O-CB 3.23Å; A627-N631 PolarHBondContact O-N 2.87Å; A627-N631 PolarHBondContact O-ND2 2.95Å; A627-N631 PolarHBondContact O-OD1 3.38Å; E628-N631 PolarHBondContact O-N 3.08Å; N631-Q634 WeakPolarHBondContact O-CB 3.3Å; N631-Q634 PolarHBondContact O-N 2.89Å; N631-Q635 WeakPolarHBondContact O-CG 3.24Å; N631-Q635 PolarHBondContact O-N 3.45Å; N631-P802 WeakPolarHBondContact OD1-CA 3.14Å; N631-L803 PolarHBondContact ND2-O 3.29Å; N631-L803 PolarHBondContact OD1-N 2.85Å |
| 632 | H | 74.4 | Confident | 69.5 | Low | 118 Ų | 118 | 59.3 Ų | 59.3 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176 | -171.5 | -173 | 0 | 0 | 0 | 110.9 | E628 I630 Q634 Q635 A636 | E628-H632 WeakPolarHBondContact O-CB 3.41Å; E628-H632 PolarHBondContact O-N 2.99Å; I630-H632 VanDerWaalsContact C-N 3.33Å; I630-H632 PolarHBondContact O-N 2.87Å; H632-Q634 VanDerWaalsContact C-N 3.31Å; H632-Q634 PolarHBondContact O-N 3.13Å; H632-Q635 PolarHBondContact O-N 3.02Å; H632-A636 WeakPolarHBondContact O-CB 3.46Å; H632-A636 PolarHBondContact O-N 2.93Å |
| 633 | H | 70.3 | Confident | 67.9 | Low | 52 Ų | 52 | 64.4 Ų | 64.4 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -34.2 | 175.4 | -171.9 | -93.7 | 0 | 0 | 0 | 112.8 | T629 I630 T798 | T629-H633 WeakPolarHBondContact O-CB 3.28Å; T629-H633 PolarHBondContact O-N 2.99Å; T629-H633 VanDerWaalsContact O-N 3.11Å; I630-H633 PolarHBondContact O-N 3.34Å; H633-T798 WeakPolarHBondContact CE1-CG2 3.47Å; H633-T798 WeakPolarHBondContact ND1-CG2 3.25Å |
| 634 | Q | 72.4 | Confident | 66.2 | Low | 32 Ų | 32 | 69.8 Ų | 69.8 | 15% | 0.15 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 172.9 | -76 | 177.9 | -7.7 | 0 | 0 | 112.8 | I630 N631 H632 W797 | I630-Q634 HydrophobicContact CG2-CG 4.24Å; I630-Q634 WeakPolarHBondContact O-CG 3.41Å; I630-Q634 PolarHBondContact O-N 3.31Å; N631-Q634 WeakPolarHBondContact O-CB 3.3Å; N631-Q634 PolarHBondContact O-N 2.89Å; H632-Q634 VanDerWaalsContact C-N 3.31Å; H632-Q634 PolarHBondContact O-N 3.13Å; Q634-W797 PolarHBondContact NE2-O 3.5Å |
| 635 | Q | 68.3 | Low | 64.6 | Low | 155 Ų | 155 | 68.3 Ų | 68.3 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -81.2 | -35 | -175.1 | -72 | 174.4 | 0.2 | 0 | 0 | 113.5 | N631 H632 | N631-Q635 WeakPolarHBondContact O-CG 3.24Å; N631-Q635 PolarHBondContact O-N 3.45Å; H632-Q635 PolarHBondContact O-N 3.02Å |
| 636 | A | 61.9 | Low | 63.2 | Low | 40 Ų | 40 | 68.9 Ų | 68.9 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -81.7 | -24.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114 | H632 T638 | H632-A636 WeakPolarHBondContact O-CB 3.46Å; H632-A636 PolarHBondContact O-N 2.93Å; A636-T638 WeakPolarHBondContact CB-OG1 3.42Å; A636-T638 PolarHBondContact O-N 3.01Å; A636-T638 PolarHBondContact O-OG1 3.04Å; A636-T638 VanDerWaalsContact O-OG1 3.05Å |
| 637 | H | 53.7 | Low | 61.7 | Low | 182 Ų | 182 | 74.6 Ų | 74.6 | 84% | 0.843 | 41% | 0.413 | S | S | * | . | trans | 46.2 | 11.2 | -170.5 | -70.3 | -56.7 | 0 | 0 | 0 | 115 | ||||
| 638 | T | 49.3 | Very low | 60.2 | Low | 83 Ų | 83 | 75.1 Ų | 75.1 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | trans | -80.6 | 133.1 | -175 | -15.5 | 0 | 0 | 0 | 0 | 108.9 | A636 L640 | A636-T638 WeakPolarHBondContact CB-OG1 3.42Å; A636-T638 PolarHBondContact O-N 3.01Å; A636-T638 PolarHBondContact O-OG1 3.04Å; A636-T638 VanDerWaalsContact O-OG1 3.05Å; T638-L640 PolarHBondContact O-N 3.39Å | ||
| 639 | S | 50.5 | Low | 58.8 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 54% | 0.538 | 41% | 0.414 | S | S | . | . | trans | -63.3 | 125.6 | 171.7 | -168 | 0 | 0 | 0 | 0 | 108.8 | A641 D642 | S639-A641 PolarHBondContact O-N 3.17Å; S639-A641 WeakPolarHBondContact OG-CB 3.26Å; S639-D642 PolarHBondContact O-N 3.07Å | ||
| 640 | L | 53 | Low | 57.7 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -57.7 | -4.3 | 171.4 | -73.6 | 161.6 | 0 | 0 | 0 | 113.2 | T638 D642 T648 L652 N791 L794 | T638-L640 PolarHBondContact O-N 3.39Å; L640-D642 VanDerWaalsContact C-N 3.29Å; L640-D642 PolarHBondContact O-N 3.41Å; L640-T648 HydrophobicContact CD2-CG2 4Å; L640-L652 HydrophobicContact CD1-CD1 4.33Å; L640-N791 VanDerWaalsContact CD1-OD1 3.27Å; L640-N791 WeakPolarHBondContact CD1-OD1 3.47Å; L640-L794 HydrophobicContact CD1-CD1 3.87Å |
| 641 | A | 48.1 | Very low | 56.6 | Low | 82 Ų | 82 | 83.1 Ų | 83.1 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -68.2 | -18.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S639 | S639-A641 PolarHBondContact O-N 3.17Å; S639-A641 WeakPolarHBondContact OG-CB 3.26Å |
| 642 | D | 46.5 | Very low | 55.5 | Low | 126 Ų | 126 | 82.4 Ų | 82.4 | 67% | 0.674 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -95.8 | 1.1 | -178.5 | -66.4 | -34 | 0 | 0 | 0 | 113.8 | S639 L640 | S639-D642 PolarHBondContact O-N 3.07Å; L640-D642 VanDerWaalsContact C-N 3.29Å; L640-D642 PolarHBondContact O-N 3.41Å |
| 643 | M | 51.5 | Low | 54.5 | Low | 111 Ų | 111 | 80.7 Ų | 80.7 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -102.8 | 144.3 | -177.8 | -69.5 | -76.5 | 105.5 | 0 | 0 | 112 | G645 T648 | M643-G645 PolarHBondContact O-N 3.15Å; M643-T648 VanDerWaalsContact CB-OG1 3.26Å; M643-T648 WeakPolarHBondContact CB-OG1 2.9Å |
| 644 | D | 51.8 | Low | 53.7 | Low | 113 Ų | 113 | 80 Ų | 80 | 60% | 0.604 | 45% | 0.451 | S | S | * | . | trans | -62.9 | 124 | 177.9 | -156.1 | 4 | 0 | 0 | 0 | 110.7 | P646 Q647 T648 | D644-P646 VanDerWaalsContact C-N 3.34Å; D644-P646 VanDerWaalsContact O-N 3.13Å; D644-Q647 PolarHBondContact O-N 2.98Å; D644-T648 PolarHBondContact O-N 2.92Å; D644-T648 PolarHBondContact O-OG1 2.88Å | ||
| 645 | G | 51.1 | Low | 53 | Low | 40 Ų | 40 | 78.8 Ų | 78.8 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -49.7 | -39.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | M643 L649 | M643-G645 PolarHBondContact O-N 3.15Å; G645-L649 WeakPolarHBondContact O-CG 3.31Å; G645-L649 PolarHBondContact O-N 2.79Å |
| 646 | P | 50 | Low | 52.3 | Low | 84 Ų | 84 | 72.6 Ų | 72.6 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.6 | -33.7 | 176.8 | -20.2 | 33.2 | 0 | 0 | 0 | 114.4 | D644 T650 | D644-P646 VanDerWaalsContact C-N 3.34Å; D644-P646 VanDerWaalsContact O-N 3.13Å; P646-T650 PolarHBondContact O-N 3.46Å; P646-T650 PolarHBondContact O-OG1 2.92Å |
| 647 | Q | 46.9 | Very low | 51.9 | Low | 121 Ų | 121 | 72.2 Ų | 72.2 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72.2 | -40.6 | 177.9 | -73.5 | -178.1 | 0.5 | 0 | 0 | 110.9 | D644 L649 T650 L651 | D644-Q647 PolarHBondContact O-N 2.98Å; Q647-L649 VanDerWaalsContact C-N 3.32Å; Q647-L649 PolarHBondContact O-N 3.13Å; Q647-T650 PolarHBondContact O-N 3.32Å; Q647-L651 PolarHBondContact O-N 2.66Å; Q647-L651 VanDerWaalsContact O-N 3.11Å |
| 648 | T | 51.6 | Low | 52 | Low | 10 Ų | 10 | 63.8 Ų | 63.8 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 173.9 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | L640 M643 D644 L651 L652 | L640-T648 HydrophobicContact CD2-CG2 4Å; M643-T648 VanDerWaalsContact CB-OG1 3.26Å; M643-T648 WeakPolarHBondContact CB-OG1 2.9Å; D644-T648 PolarHBondContact O-N 2.92Å; D644-T648 PolarHBondContact O-OG1 2.88Å; T648-L651 PolarHBondContact O-N 3.45Å; T648-L652 HydrophobicContact CG2-CD1 3.58Å; T648-L652 HydrophobicContact CG2-CG 4.44Å; T648-L652 WeakPolarHBondContact O-CB 3.48Å; T648-L652 WeakPolarHBondContact O-CG 3.29Å; T648-L652 PolarHBondContact O-N 2.82Å |
| 649 | L | 51.4 | Low | 52.5 | Low | 56 Ų | 56 | 60.3 Ų | 60.3 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 176.8 | -75.1 | 167.7 | 0 | 0 | 0 | 113.2 | G645 Q647 K653 F782 | G645-L649 WeakPolarHBondContact O-CG 3.31Å; G645-L649 PolarHBondContact O-N 2.79Å; Q647-L649 VanDerWaalsContact C-N 3.32Å; Q647-L649 PolarHBondContact O-N 3.13Å; L649-K653 WeakPolarHBondContact O-CB 3.31Å; L649-K653 PolarHBondContact O-N 2.98Å; L649-F782 HydrophobicContact CD1-CD2 4.16Å; L649-F782 HydrophobicContact CD1-CE2 4.38Å |
| 650 | T | 51.8 | Low | 53.1 | Low | 110 Ų | 110 | 62.8 Ų | 62.8 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 178.7 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | P646 Q647 | P646-T650 PolarHBondContact O-N 3.46Å; P646-T650 PolarHBondContact O-OG1 2.92Å; Q647-T650 PolarHBondContact O-N 3.32Å |
| 651 | L | 53.2 | Low | 53.9 | Low | 91 Ų | 91 | 66 Ų | 66 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 175.6 | -102.7 | 134.4 | 0 | 0 | 0 | 113.6 | T629 Q647 T648 P654 | T629-L651 HydrophobicContact CG2-CD2 4.09Å; Q647-L651 PolarHBondContact O-N 2.66Å; Q647-L651 VanDerWaalsContact O-N 3.11Å; T648-L651 PolarHBondContact O-N 3.45Å; L651-P654 VanDerWaalsContact O-CD 3.3Å; L651-P654 WeakPolarHBondContact O-CD 3.43Å |
| 652 | L | 56.7 | Low | 55.5 | Low | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -93.5 | -12.7 | -170.6 | -64.8 | 175.9 | 0 | 0 | 0 | 114.6 | T629 L640 T648 P654 V655 L790 L794 | T629-L652 HydrophobicContact CG2-CD2 4.02Å; L640-L652 HydrophobicContact CD1-CD1 4.33Å; T648-L652 HydrophobicContact CG2-CD1 3.58Å; T648-L652 HydrophobicContact CG2-CG 4.44Å; T648-L652 WeakPolarHBondContact O-CB 3.48Å; T648-L652 WeakPolarHBondContact O-CG 3.29Å; T648-L652 PolarHBondContact O-N 2.82Å; L652-P654 VanDerWaalsContact C-CD 3.47Å; L652-V655 WeakPolarHBondContact O-CB 3.43Å; L652-V655 PolarHBondContact O-N 3.17Å; L652-L790 HydrophobicContact CB-CD1 4.39Å; L652-L790 HydrophobicContact CB-CD2 3.94Å; L652-L790 HydrophobicContact CD1-CD2 3.44Å; L652-L790 VanDerWaalsContact CD1-CD2 3.44Å; L652-L790 HydrophobicContact CD1-CG 4.05Å; L652-L790 HydrophobicContact CG-CD2 4.31Å; L652-L794 HydrophobicContact CD1-CD1 3.99Å; L652-L794 HydrophobicContact CD2-CD1 3.59Å; L652-L794 HydrophobicContact CD2-CD2 4.1Å; L652-L794 HydrophobicContact CD2-CG 4.45Å; L652-L794 HydrophobicContact CG-CD1 4.43Å |
| 653 | K | 55.1 | Low | 57.4 | Low | 83 Ų | 83 | 58 Ų | 58 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.8 | 176.9 | -174 | 174.3 | -174.6 | 168.6 | 0 | 115.1 | L649 V655 N772 | L649-K653 WeakPolarHBondContact O-CB 3.31Å; L649-K653 PolarHBondContact O-N 2.98Å; K653-V655 VanDerWaalsContact C-N 3.34Å; K653-N772 WeakPolarHBondContact CE-OD1 3.41Å; K653-N772 PolarHBondContact NZ-OD1 2.94Å |
| 654 | P | 52.7 | Low | 59.2 | Low | 36 Ų | 36 | 59.2 Ų | 59.2 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -33.1 | 177.6 | -18.6 | 33.4 | 0 | 0 | 0 | 112.8 | S626 L651 L652 L656 V658 | S626-P654 PolarHBondContact OG-O 3.1Å; L651-P654 VanDerWaalsContact O-CD 3.3Å; L651-P654 WeakPolarHBondContact O-CD 3.43Å; L652-P654 VanDerWaalsContact C-CD 3.47Å; P654-L656 PolarHBondContact O-N 2.73Å; P654-V658 WeakPolarHBondContact O-CG2 3.27Å |
| 655 | V | 57.5 | Low | 61 | Low | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.8 | -35.3 | -173.8 | -179 | 0 | 0 | 0 | 0 | 112 | T629 L652 K653 G657 V658 L659 L794 | T629-V655 HydrophobicContact CG2-CG2 3.7Å; L652-V655 WeakPolarHBondContact O-CB 3.43Å; L652-V655 PolarHBondContact O-N 3.17Å; K653-V655 VanDerWaalsContact C-N 3.34Å; V655-G657 VanDerWaalsContact C-N 3.32Å; V655-G657 PolarHBondContact O-N 3.22Å; V655-V658 PolarHBondContact O-N 2.81Å; V655-L659 HydrophobicContact CB-CD1 4.06Å; V655-L659 HydrophobicContact CG1-CB 4.38Å; V655-L659 HydrophobicContact CG1-CD1 3.34Å; V655-L659 HydrophobicContact CG1-CG 4.49Å; V655-L659 PolarHBondContact O-N 3.19Å; V655-L794 HydrophobicContact CG1-CD2 3.88Å |
| 656 | L | 54.5 | Low | 62.9 | Low | 25 Ų | 25 | 57.3 Ų | 57.3 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -23.8 | -170.7 | -82.3 | 169.5 | 0 | 0 | 0 | 116.3 | P654 I768 F769 L790 | P654-L656 PolarHBondContact O-N 2.73Å; L656-I768 HydrophobicContact CD2-CB 4.04Å; L656-I768 HydrophobicContact CD2-CD1 3.48Å; L656-I768 VanDerWaalsContact CD2-CD1 3.48Å; L656-I768 HydrophobicContact CD2-CG1 3.78Å; L656-F769 HydrophobicContact CD1-CD2 3.74Å; L656-F769 HydrophobicContact CD1-CE2 3.69Å; L656-L790 HydrophobicContact CD1-CD1 4.14Å; L656-L790 HydrophobicContact CD2-CD1 3.41Å; L656-L790 VanDerWaalsContact CD2-CD1 3.41Å; L656-L790 HydrophobicContact CG-CD1 3.76Å |
| 657 | G | 53.6 | Low | 64.9 | Low | 33 Ų | 33 | 57.8 Ų | 57.8 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -96.7 | -19 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | V655 | V655-G657 VanDerWaalsContact C-N 3.32Å; V655-G657 PolarHBondContact O-N 3.22Å |
| 658 | V | 55.4 | Low | 66.9 | Low | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -97.2 | -30.2 | -168.2 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | L622 P654 V655 W672 Y735 | L622-V658 HydrophobicContact CD2-CG2 3.35Å; L622-V658 HydrophobicContact CG-CG2 4.49Å; P654-V658 WeakPolarHBondContact O-CG2 3.27Å; V655-V658 PolarHBondContact O-N 2.81Å; V658-W672 HydrophobicContact CG1-CZ2 4.06Å; V658-W672 PolarHBondContact O-NE1 2.86Å; V658-W672 VanDerWaalsContact O-NE1 3.12Å; V658-Y735 HydrophobicContact CG1-CE2 3.75Å; V658-Y735 PolarHBondContact O-OH 3.33Å |
| 659 | L | 60.3 | Low | 68.7 | Low | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | trans | -128.4 | 77.7 | -153.5 | -68.5 | 157.3 | 0 | 0 | 0 | 112.3 | I630 V655 W797 | I630-L659 HydrophobicContact CD1-CD1 3.19Å; I630-L659 HydrophobicContact CD1-CD2 3.55Å; I630-L659 HydrophobicContact CD1-CG 3.94Å; I630-L659 HydrophobicContact CG1-CD1 3.91Å; V655-L659 HydrophobicContact CB-CD1 4.06Å; V655-L659 HydrophobicContact CG1-CB 4.38Å; V655-L659 HydrophobicContact CG1-CD1 3.34Å; V655-L659 HydrophobicContact CG1-CG 4.49Å; V655-L659 PolarHBondContact O-N 3.19Å; L659-W797 HydrophobicContact CB-CD2 4.31Å; L659-W797 HydrophobicContact CB-CH2 4.4Å; L659-W797 HydrophobicContact CB-CZ2 3.58Å; L659-W797 HydrophobicContact CD2-CD2 3.99Å; L659-W797 HydrophobicContact CD2-CE3 3.92Å; L659-W797 HydrophobicContact CD2-CH2 3.28Å; L659-W797 HydrophobicContact CD2-CZ2 3.38Å; L659-W797 HydrophobicContact CD2-CZ3 3.6Å; L659-W797 HydrophobicContact CG-CH2 4.41Å; L659-W797 HydrophobicContact CG-CZ2 4.06Å; L659-W797 PolarHBondContact O-NE1 3.46Å; L659-W797 VanDerWaalsContact O-NE1 3.1Å | ||
| 660 | R | 62.1 | Low | 70.6 | Confident | 128 Ų | 128 | 51.8 Ų | 51.8 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -101.7 | -41.6 | 170.1 | -69.3 | -168.3 | 176.9 | -144.1 | 7.5 | 113.2 | Q764 A766 | R660-Q764 WeakPolarHBondContact CD-O 3.49Å; R660-Q764 PolarHBondContact NE-O 2.93Å; R660-Q764 VanDerWaalsContact NE-O 3.09Å; R660-Q764 PolarHBondContact NH1-O 3.2Å; R660-A766 PolarHBondContact NH2-O 3.37Å |
| 661 | V | 69.4 | Low | 72.3 | Confident | 108 Ų | 108 | 48.3 Ų | 48.3 | 66% | 0.655 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -138.2 | 136.6 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 109 | ||
| 662 | R | 81.5 | Confident | 74 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | trans | -70.6 | 120.5 | 174.4 | -172.4 | -178.2 | -84.7 | -112 | 8.4 | 109 | Q664 F796 W797 P801 | R662-Q664 PolarHBondContact O-NE2 3.35Å; R662-Q664 VanDerWaalsContact O-NE2 3.09Å; R662-F796 HydrophobicContact CB-CE1 4.46Å; R662-W797 VanDerWaalsContact CA-CH2 3.49Å; R662-W797 HydrophobicContact CB-CH2 3.82Å; R662-W797 HydrophobicContact CB-CZ3 3.83Å; R662-W797 HydrophobicContact CG-CH2 4.33Å; R662-W797 HydrophobicContact CG-CZ3 3.98Å; R662-P801 VanDerWaalsContact NH1-CG 3.31Å; R662-P801 PolarHBondContact NH1-O 3.31Å; R662-P801 PolarHBondContact NH2-O 3.17Å | ||
| 663 | P | 87.6 | Confident | 75.6 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | trans | -62.5 | 142.3 | 179.7 | 29.7 | -35.9 | 0 | 0 | 0 | 109.5 | D668 Y735 H739 L741 | P663-D668 HydrophobicContact CB-CB 3.81Å; P663-Y735 HydrophobicContact CB-CE1 4.11Å; P663-Y735 HydrophobicContact CG-CD1 4.06Å; P663-Y735 HydrophobicContact CG-CE1 3.58Å; P663-H739 HydrophobicContact CG-CB 4.08Å; P663-H739 VanDerWaalsContact CG-CD2 3.43Å; P663-H739 WeakPolarHBondContact CG-CD2 2.92Å; P663-L741 HydrophobicContact CB-CD1 3.91Å; P663-L741 HydrophobicContact CG-CD1 3.87Å | ||
| 664 | Q | 88.7 | Confident | 77.2 | Confident | 136 Ų | 136 | 41.9 Ų | 41.9 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | trans | -104.3 | -24.4 | 176.9 | -59.1 | -57.3 | -47.9 | 0 | 0 | 111.7 | R662 D668 | R662-Q664 PolarHBondContact O-NE2 3.35Å; R662-Q664 VanDerWaalsContact O-NE2 3.09Å; Q664-D668 WeakPolarHBondContact CB-OD2 3.48Å; Q664-D668 PolarHBondContact N-OD2 3.29Å | ||
| 665 | N | 90.8 | Very high | 78.8 | Confident | 69 Ų | 69 | 40.3 Ų | 40.3 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -150.1 | 174.5 | -176.6 | 60.5 | 61.9 | 0 | 0 | 0 | 111.1 | Q667 D668 C669 | N665-Q667 VanDerWaalsContact C-N 3.29Å; N665-Q667 PolarHBondContact O-N 2.84Å; N665-Q667 WeakPolarHBondContact OD1-CA 3.17Å; N665-Q667 VanDerWaalsContact OD1-CB 3.27Å; N665-Q667 WeakPolarHBondContact OD1-CB 3.39Å; N665-Q667 PolarHBondContact OD1-N 3.37Å; N665-D668 PolarHBondContact N-OD2 3.05Å; N665-D668 PolarHBondContact ND2-OD2 3.47Å; N665-D668 WeakPolarHBondContact O-CB 3.29Å; N665-D668 PolarHBondContact O-N 2.94Å; N665-D668 PolarHBondContact OD1-N 3.01Å; N665-C669 PolarHBondContact O-N 3.45Å |
| 666 | W | 90.9 | Very high | 80.2 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 17% | 0.167 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -36.9 | 178.6 | 177.3 | -116.2 | 0 | 0 | 0 | 114 | D668 C669 V670 L729 A732 N733 A736 | W666-D668 VanDerWaalsContact C-N 3.31Å; W666-D668 PolarHBondContact O-N 2.61Å; W666-C669 HydrophobicContact CE3-CB 4.13Å; W666-C669 HydrophobicContact CZ3-CB 4.33Å; W666-C669 WeakPolarHBondContact O-CB 3.49Å; W666-C669 PolarHBondContact O-N 3.11Å; W666-C669 VanDerWaalsContact O-N 3.13Å; W666-V670 HydrophobicContact CD2-CG2 4.26Å; W666-V670 HydrophobicContact CZ2-CG2 3.93Å; W666-V670 WeakPolarHBondContact O-CG2 3.13Å; W666-V670 PolarHBondContact O-N 3.13Å; W666-L729 HydrophobicContact CZ2-CD1 4.46Å; W666-A732 HydrophobicContact CH2-CB 3.29Å; W666-A732 HydrophobicContact CZ2-CB 3.81Å; W666-A732 HydrophobicContact CZ3-CB 3.73Å; W666-A732 WeakPolarHBondContact CZ3-O 3.47Å; W666-N733 HydrophobicContact CH2-CB 3.97Å; W666-N733 WeakPolarHBondContact CH2-ND2 3.47Å; W666-N733 WeakPolarHBondContact CH2-OD1 3.3Å; W666-N733 HydrophobicContact CZ3-CB 4.27Å; W666-A736 HydrophobicContact CE3-CB 3.92Å; W666-A736 HydrophobicContact CZ3-CB 3.81Å |
| 667 | Q | 91 | Very high | 81.9 | Confident | 94 Ų | 94 | 39.2 Ų | 39.2 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.8 | -36.1 | -179.7 | 169.7 | 176.5 | 3.3 | 0 | 0 | 111.9 | N665 C669 V670 A671 L753 L757 | N665-Q667 VanDerWaalsContact C-N 3.29Å; N665-Q667 PolarHBondContact O-N 2.84Å; N665-Q667 WeakPolarHBondContact OD1-CA 3.17Å; N665-Q667 VanDerWaalsContact OD1-CB 3.27Å; N665-Q667 WeakPolarHBondContact OD1-CB 3.39Å; N665-Q667 PolarHBondContact OD1-N 3.37Å; Q667-C669 VanDerWaalsContact C-N 3.32Å; Q667-C669 PolarHBondContact O-N 3Å; Q667-V670 PolarHBondContact O-N 3.08Å; Q667-A671 PolarHBondContact O-N 3.03Å; Q667-L753 HydrophobicContact CB-CD1 4.38Å; Q667-L753 HydrophobicContact CB-CD2 4.09Å; Q667-L753 HydrophobicContact CG-CD1 3.88Å; Q667-L753 HydrophobicContact CG-CD2 4.2Å; Q667-L753 HydrophobicContact CG-CG 4.45Å; Q667-L757 HydrophobicContact CG-CD2 4.04Å |
| 668 | D | 88.2 | Confident | 83.6 | Confident | 61 Ų | 61 | 38.4 Ų | 38.4 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 173.2 | -58.9 | -29.1 | 0 | 0 | 0 | 111.3 | P663 Q664 N665 W666 A671 W672 | P663-D668 HydrophobicContact CB-CB 3.81Å; Q664-D668 WeakPolarHBondContact CB-OD2 3.48Å; Q664-D668 PolarHBondContact N-OD2 3.29Å; N665-D668 PolarHBondContact N-OD2 3.05Å; N665-D668 PolarHBondContact ND2-OD2 3.47Å; N665-D668 WeakPolarHBondContact O-CB 3.29Å; N665-D668 PolarHBondContact O-N 2.94Å; N665-D668 PolarHBondContact OD1-N 3.01Å; W666-D668 VanDerWaalsContact C-N 3.31Å; W666-D668 PolarHBondContact O-N 2.61Å; D668-A671 PolarHBondContact O-N 2.85Å; D668-W672 WeakPolarHBondContact O-CB 3.32Å; D668-W672 PolarHBondContact O-N 3.34Å |
| 669 | C | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 175.4 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | N665 W666 Q667 W672 A673 A732 Y735 | N665-C669 PolarHBondContact O-N 3.45Å; W666-C669 HydrophobicContact CE3-CB 4.13Å; W666-C669 HydrophobicContact CZ3-CB 4.33Å; W666-C669 WeakPolarHBondContact O-CB 3.49Å; W666-C669 PolarHBondContact O-N 3.11Å; W666-C669 VanDerWaalsContact O-N 3.13Å; Q667-C669 VanDerWaalsContact C-N 3.32Å; Q667-C669 PolarHBondContact O-N 3Å; C669-W672 PolarHBondContact O-N 3.15Å; C669-A673 WeakPolarHBondContact O-CB 3.23Å; C669-A673 PolarHBondContact O-N 3.03Å; C669-A732 HydrophobicContact CB-CB 4.13Å; C669-Y735 HydrophobicContact CB-CD1 4.2Å |
| 670 | V | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 175.8 | 174 | 0 | 0 | 0 | 0 | 111.3 | W666 Q667 W672 A673 L674 V728 A732 L750 L753 L754 L757 | W666-V670 HydrophobicContact CD2-CG2 4.26Å; W666-V670 HydrophobicContact CZ2-CG2 3.93Å; W666-V670 WeakPolarHBondContact O-CG2 3.13Å; W666-V670 PolarHBondContact O-N 3.13Å; Q667-V670 PolarHBondContact O-N 3.08Å; V670-W672 VanDerWaalsContact C-N 3.33Å; V670-W672 PolarHBondContact O-N 3.01Å; V670-A673 PolarHBondContact O-N 2.86Å; V670-L674 WeakPolarHBondContact O-CB 3.42Å; V670-L674 PolarHBondContact O-N 3.32Å; V670-V728 HydrophobicContact CG1-CG1 4.09Å; V670-A732 HydrophobicContact CG2-CB 4.01Å; V670-L750 HydrophobicContact CB-CD1 4.36Å; V670-L750 HydrophobicContact CG1-CD1 3.57Å; V670-L750 HydrophobicContact CG2-CD1 3.77Å; V670-L753 HydrophobicContact CB-CD2 4.04Å; V670-L753 HydrophobicContact CG1-CD2 4.07Å; V670-L753 HydrophobicContact CG2-CD2 4.03Å; V670-L754 HydrophobicContact CG1-CD2 3.83Å; V670-L754 HydrophobicContact CG1-CG 4.28Å; V670-L757 HydrophobicContact CB-CD1 4.38Å; V670-L757 HydrophobicContact CG1-CD1 3.72Å |
| 671 | A | 87.9 | Confident | 87.6 | Confident | 38 Ų | 38 | 36 Ų | 36 | 31% | 0.314 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q667 D668 G675 L757 | Q667-A671 PolarHBondContact O-N 3.03Å; D668-A671 PolarHBondContact O-N 2.85Å; A671-G675 PolarHBondContact O-N 2.95Å; A671-L757 HydrophobicContact CB-CD1 4.37Å; A671-L757 HydrophobicContact CB-CD2 4.25Å |
| 672 | W | 87.9 | Confident | 88.5 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 15% | 0.152 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 173.3 | 174.8 | 89.9 | 0 | 0 | 0 | 111.9 | L622 F623 V658 D668 C669 V670 G675 H676 A731 Y735 | L622-W672 HydrophobicContact CD1-CH2 4.48Å; L622-W672 HydrophobicContact CD2-CZ2 4.28Å; F623-W672 AromaticContact CE1-CH2 3.78Å; F623-W672 HydrophobicContact CE1-CH2 3.78Å; F623-W672 HydrophobicContact CE1-CZ3 4.11Å; F623-W672 HydrophobicContact CZ-CH2 4.08Å; F623-W672 HydrophobicContact CZ-CZ3 4.37Å; V658-W672 HydrophobicContact CG1-CZ2 4.06Å; V658-W672 PolarHBondContact O-NE1 2.86Å; V658-W672 VanDerWaalsContact O-NE1 3.12Å; D668-W672 WeakPolarHBondContact O-CB 3.32Å; D668-W672 PolarHBondContact O-N 3.34Å; C669-W672 PolarHBondContact O-N 3.15Å; V670-W672 VanDerWaalsContact C-N 3.33Å; V670-W672 PolarHBondContact O-N 3.01Å; W672-G675 PolarHBondContact O-N 2.86Å; W672-G675 VanDerWaalsContact O-N 3.16Å; W672-H676 PolarHBondContact O-N 3.02Å; W672-A731 HydrophobicContact CZ3-CB 4.1Å; W672-Y735 HydrophobicContact CB-CD1 4.33Å; W672-Y735 HydrophobicContact CB-CE1 4.2Å; W672-Y735 AromaticContact CD1-CZ 3.96Å; W672-Y735 AromaticContact CD2-CD1 3.91Å; W672-Y735 HydrophobicContact CD2-CD1 3.91Å; W672-Y735 HydrophobicContact CD2-CD2 4.01Å; W672-Y735 HydrophobicContact CD2-CE1 4.06Å; W672-Y735 HydrophobicContact CD2-CE2 4.18Å; W672-Y735 AromaticContact CD2-CG 3.9Å; W672-Y735 HydrophobicContact CD2-CG 3.9Å; W672-Y735 AromaticContact CE2-CD2 3.89Å; W672-Y735 AromaticContact CE2-CE2 3.82Å; W672-Y735 AromaticContact CE3-CD1 3.97Å; W672-Y735 HydrophobicContact CE3-CD1 3.97Å; W672-Y735 HydrophobicContact CE3-CD2 4.05Å; W672-Y735 AromaticContact CE3-CG 3.68Å; W672-Y735 HydrophobicContact CE3-CG 3.68Å; W672-Y735 HydrophobicContact CG-CD1 4.06Å; W672-Y735 AromaticContact CG-CE1 3.85Å; W672-Y735 HydrophobicContact CG-CE1 3.85Å; W672-Y735 AromaticContact CH2-CD2 3.95Å; W672-Y735 HydrophobicContact CH2-CD2 3.95Å; W672-Y735 HydrophobicContact CH2-CG 4.33Å; W672-Y735 AromaticContact CZ2-CD2 3.88Å; W672-Y735 HydrophobicContact CZ2-CD2 3.88Å; W672-Y735 HydrophobicContact CZ2-CE2 4.06Å; W672-Y735 HydrophobicContact CZ2-CG 4.49Å; W672-Y735 HydrophobicContact CZ3-CD2 4.02Å; W672-Y735 AromaticContact CZ3-CG 3.92Å; W672-Y735 HydrophobicContact CZ3-CG 3.92Å; W672-Y735 AromaticContact NE1-CE2 3.95Å; W672-Y735 AromaticContact NE1-CZ 3.9Å |
| 673 | A | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C669 V670 G675 H676 W677 V728 A731 A732 | C669-A673 WeakPolarHBondContact O-CB 3.23Å; C669-A673 PolarHBondContact O-N 3.03Å; V670-A673 PolarHBondContact O-N 2.86Å; A673-G675 VanDerWaalsContact C-N 3.3Å; A673-G675 PolarHBondContact O-N 3.28Å; A673-H676 PolarHBondContact O-N 3.12Å; A673-W677 WeakPolarHBondContact O-CB 3.2Å; A673-W677 PolarHBondContact O-N 3.31Å; A673-V728 HydrophobicContact CB-CG1 4.02Å; A673-A731 HydrophobicContact CB-CB 3.85Å; A673-A732 HydrophobicContact CB-CB 3.96Å |
| 674 | L | 89.3 | Confident | 88.3 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 173.3 | 177.1 | 62.9 | 0 | 0 | 0 | 111.4 | V670 W677 K678 F717 L754 | V670-L674 WeakPolarHBondContact O-CB 3.42Å; V670-L674 PolarHBondContact O-N 3.32Å; L674-W677 WeakPolarHBondContact O-CB 3.4Å; L674-W677 PolarHBondContact O-N 2.87Å; L674-K678 PolarHBondContact O-N 2.66Å; L674-K678 VanDerWaalsContact O-N 3.13Å; L674-F717 HydrophobicContact CD1-CB 4.5Å; L674-F717 HydrophobicContact CD1-CD1 3.68Å; L674-F717 HydrophobicContact CD1-CD2 3.81Å; L674-F717 HydrophobicContact CD1-CE1 3.72Å; L674-F717 HydrophobicContact CD1-CE2 3.85Å; L674-F717 HydrophobicContact CD1-CG 3.72Å; L674-F717 HydrophobicContact CD1-CZ 3.81Å; L674-L754 HydrophobicContact CB-CD2 4.2Å; L674-L754 HydrophobicContact CD1-CD2 4.33Å; L674-L754 HydrophobicContact CD2-CD2 3.9Å; L674-L754 HydrophobicContact CG-CD2 4.36Å |
| 675 | G | 84.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | A671 W672 A673 W677 K678 L679 M765 | A671-G675 PolarHBondContact O-N 2.95Å; W672-G675 PolarHBondContact O-N 2.86Å; W672-G675 VanDerWaalsContact O-N 3.16Å; A673-G675 VanDerWaalsContact C-N 3.3Å; A673-G675 PolarHBondContact O-N 3.28Å; G675-W677 PolarHBondContact O-N 3.22Å; G675-K678 PolarHBondContact O-N 3.15Å; G675-L679 PolarHBondContact O-N 2.9Å; G675-M765 VanDerWaalsContact C-SD 3.53Å; G675-M765 WeakPolarHBondContact CA-SD 3.4Å |
| 676 | H | 86.9 | Confident | 87.7 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 176.9 | -169.6 | -96.9 | 0 | 0 | 0 | 111.9 | E618 W672 A673 K678 L679 R680 Y727 | E618-H676 IonicContact OE2-CE1 3.31Å; E618-H676 PolarHBondContact OE2-CE1 3.04Å; E618-H676 IonicContact OE2-NE2 2.84Å; W672-H676 PolarHBondContact O-N 3.02Å; A673-H676 PolarHBondContact O-N 3.12Å; H676-K678 VanDerWaalsContact C-N 3.34Å; H676-K678 PolarHBondContact O-N 3.31Å; H676-L679 WeakPolarHBondContact O-CB 3.43Å; H676-L679 PolarHBondContact O-N 3.35Å; H676-R680 VanDerWaalsContact CE1-CG 3.42Å; H676-R680 WeakPolarHBondContact CE1-CG 3.44Å; H676-R680 PolarHBondContact NE2-NE 3Å; H676-R680 WeakPolarHBondContact O-CG 3.41Å; H676-R680 PolarHBondContact O-N 3.23Å; H676-Y727 PolarHBondContact CE1-OH 3.2Å; H676-Y727 AromaticContact ND1-CZ 3.96Å; H676-Y727 PolarHBondContact ND1-OH 3.06Å |
| 677 | W | 91.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -53.1 | -52.1 | 172.7 | -176.5 | 98.4 | 0 | 0 | 0 | 110.9 | A673 L674 G675 L679 R680 F681 L715 E716 F717 H724 Y727 L827 | A673-W677 WeakPolarHBondContact O-CB 3.2Å; A673-W677 PolarHBondContact O-N 3.31Å; L674-W677 WeakPolarHBondContact O-CB 3.4Å; L674-W677 PolarHBondContact O-N 2.87Å; G675-W677 PolarHBondContact O-N 3.22Å; W677-L679 VanDerWaalsContact C-N 3.34Å; W677-L679 PolarHBondContact O-N 3.01Å; W677-R680 PolarHBondContact O-N 3.11Å; W677-F681 HydrophobicContact CB-CD2 4.37Å; W677-F681 AromaticContact CD1-CD2 3.55Å; W677-F681 AromaticContact CD1-CE2 3.76Å; W677-F681 AromaticContact CD2-CD2 3.97Å; W677-F681 HydrophobicContact CD2-CD2 3.97Å; W677-F681 AromaticContact CE2-CD2 3.88Å; W677-F681 AromaticContact CG-CD2 3.74Å; W677-F681 HydrophobicContact CG-CD2 3.74Å; W677-F681 HydrophobicContact CG-CE2 4.21Å; W677-F681 HydrophobicContact CZ2-CB 4.29Å; W677-F681 AromaticContact NE1-CD2 3.65Å; W677-F681 WeakPolarHBondContact O-CD2 2.97Å; W677-F681 PolarHBondContact O-N 3.36Å; W677-L715 HydrophobicContact CH2-CB 3.79Å; W677-L715 HydrophobicContact CZ2-CB 4.06Å; W677-E716 VanDerWaalsContact CH2-C 3.46Å; W677-F717 AromaticContact CD2-CD2 3.58Å; W677-F717 HydrophobicContact CD2-CD2 3.58Å; W677-F717 HydrophobicContact CD2-CE2 4.32Å; W677-F717 AromaticContact CE2-CD2 3.75Å; W677-F717 HydrophobicContact CE3-CB 3.84Å; W677-F717 AromaticContact CE3-CD2 3.71Å; W677-F717 HydrophobicContact CE3-CD2 3.71Å; W677-F717 HydrophobicContact CE3-CG 4.21Å; W677-F717 HydrophobicContact CG-CD2 4.09Å; W677-F717 HydrophobicContact CG-CE2 4.39Å; W677-F717 HydrophobicContact CH2-CB 3.88Å; W677-F717 HydrophobicContact CH2-CD2 4.29Å; W677-F717 HydrophobicContact CZ2-CB 4.5Å; W677-F717 HydrophobicContact CZ2-CD2 4.12Å; W677-F717 HydrophobicContact CZ3-CB 3.5Å; W677-F717 HydrophobicContact CZ3-CD2 4.09Å; W677-F717 HydrophobicContact CZ3-CG 4.3Å; W677-H724 AromaticContact CE2-ND1 4Å; W677-H724 AromaticContact CZ2-CE1 3.51Å; W677-H724 AromaticContact CZ2-ND1 3.38Å; W677-H724 WeakPolarHBondContact CZ2-ND1 3.48Å; W677-Y727 HydrophobicContact CB-CD1 3.84Å; W677-Y727 HydrophobicContact CB-CE1 3.71Å; W677-Y727 AromaticContact CD1-CD1 3.46Å; W677-Y727 VanDerWaalsContact CD1-CD1 3.46Å; W677-Y727 AromaticContact CD1-CG 3.84Å; W677-Y727 HydrophobicContact CG-CD1 4.06Å; W677-Y727 HydrophobicContact CG-CE1 4.29Å; W677-L827 HydrophobicContact CZ2-CD2 4.28Å |
| 678 | K | 87.9 | Confident | 86.5 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 180 | -72.3 | -177.5 | 174.5 | -167.4 | 0 | 112.3 | L674 G675 H676 R680 H682 Y683 Q759 P760 M765 | L674-K678 PolarHBondContact O-N 2.66Å; L674-K678 VanDerWaalsContact O-N 3.13Å; G675-K678 PolarHBondContact O-N 3.15Å; H676-K678 VanDerWaalsContact C-N 3.34Å; H676-K678 PolarHBondContact O-N 3.31Å; K678-R680 VanDerWaalsContact C-N 3.29Å; K678-R680 PolarHBondContact O-N 3.2Å; K678-H682 WeakPolarHBondContact O-CA 3.32Å; K678-H682 VanDerWaalsContact O-CB 3.3Å; K678-H682 WeakPolarHBondContact O-CB 3.43Å; K678-H682 PolarHBondContact O-N 3.42Å; K678-H682 VanDerWaalsContact O-N 3.11Å; K678-Y683 HydrophobicContact CB-CD2 3.97Å; K678-Y683 HydrophobicContact CB-CE2 3.88Å; K678-Y683 HydrophobicContact CD-CE2 4.22Å; K678-Y683 WeakPolarHBondContact O-CD2 3.35Å; K678-Y683 PolarHBondContact O-N 2.91Å; K678-Q759 VanDerWaalsContact CE-OE1 3.3Å; K678-P760 HydrophobicContact CD-CG 4.08Å; K678-M765 HydrophobicContact CD-CE 4.49Å |
| 679 | L | 84 | Confident | 86.2 | Confident | 25 Ų | 25 | 24 Ų | 24 | 13% | 0.131 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -57 | -46.3 | 178 | 180 | 66.3 | 0 | 0 | 0 | 110.8 | G675 H676 W677 G684 M765 | G675-L679 PolarHBondContact O-N 2.9Å; H676-L679 WeakPolarHBondContact O-CB 3.43Å; H676-L679 PolarHBondContact O-N 3.35Å; W677-L679 VanDerWaalsContact C-N 3.34Å; W677-L679 PolarHBondContact O-N 3.01Å; L679-G684 WeakPolarHBondContact O-CA 3.46Å; L679-G684 PolarHBondContact O-N 3.5Å; L679-M765 WeakPolarHBondContact CD2-O 3.47Å |
| 680 | R | 86.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 33.6 Ų | 33.6 | 25% | 0.253 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -80.7 | -48.7 | -174.3 | -61.6 | -49.4 | -176.8 | 135.9 | 8.3 | 113.6 | W614 E618 H676 W677 K678 | W614-R680 HydrophobicContact CH2-CB 4.24Å; W614-R680 HydrophobicContact CH2-CG 4.43Å; W614-R680 HydrophobicContact CZ2-CB 4.37Å; W614-R680 HydrophobicContact CZ2-CG 4.35Å; E618-R680 VanDerWaalsContact CD-CZ 3.41Å; E618-R680 VanDerWaalsContact CD-NH2 3.32Å; E618-R680 IonicContact OE1-CZ 3.46Å; E618-R680 IonicContact OE1-NH1 3.89Å; E618-R680 PolarHBondContact OE1-NH1 3.35Å; E618-R680 IonicContact OE1-NH2 3.35Å; E618-R680 PolarHBondContact OE1-NH2 3.15Å; E618-R680 IonicContact OE2-CZ 2.71Å; E618-R680 IonicContact OE2-NE 3.93Å; E618-R680 PolarHBondContact OE2-NE 3.18Å; E618-R680 IonicContact OE2-NH1 2.75Å; E618-R680 PolarHBondContact OE2-NH1 3.42Å; E618-R680 IonicContact OE2-NH2 3.67Å; E618-R680 PolarHBondContact OE2-NH2 3.31Å; H676-R680 VanDerWaalsContact CE1-CG 3.42Å; H676-R680 WeakPolarHBondContact CE1-CG 3.44Å; H676-R680 PolarHBondContact NE2-NE 3Å; H676-R680 WeakPolarHBondContact O-CG 3.41Å; H676-R680 PolarHBondContact O-N 3.23Å; W677-R680 PolarHBondContact O-N 3.11Å; K678-R680 VanDerWaalsContact C-N 3.29Å; K678-R680 PolarHBondContact O-N 3.2Å |
| 681 | F | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -96.5 | -11.7 | -168.1 | -51.5 | -65.6 | 0 | 0 | 0 | 113.8 | W614 W677 L715 Y727 A824 L827 R828 N831 | W614-F681 AromaticContact CH2-CE1 3.8Å; W614-F681 HydrophobicContact CH2-CE1 3.8Å; W614-F681 AromaticContact CH2-CZ 3.96Å; W614-F681 HydrophobicContact CH2-CZ 3.96Å; W614-F681 AromaticContact CZ3-CE1 3.95Å; W614-F681 HydrophobicContact CZ3-CE1 3.95Å; W614-F681 HydrophobicContact CZ3-CZ 4.17Å; W677-F681 HydrophobicContact CB-CD2 4.37Å; W677-F681 AromaticContact CD1-CD2 3.55Å; W677-F681 AromaticContact CD1-CE2 3.76Å; W677-F681 AromaticContact CD2-CD2 3.97Å; W677-F681 HydrophobicContact CD2-CD2 3.97Å; W677-F681 AromaticContact CE2-CD2 3.88Å; W677-F681 AromaticContact CG-CD2 3.74Å; W677-F681 HydrophobicContact CG-CD2 3.74Å; W677-F681 HydrophobicContact CG-CE2 4.21Å; W677-F681 HydrophobicContact CZ2-CB 4.29Å; W677-F681 AromaticContact NE1-CD2 3.65Å; W677-F681 WeakPolarHBondContact O-CD2 2.97Å; W677-F681 PolarHBondContact O-N 3.36Å; F681-L715 HydrophobicContact CB-CD1 4.31Å; F681-L715 PolarHBondContact O-N 3.35Å; F681-Y727 HydrophobicContact CE2-CD1 4.46Å; F681-Y727 HydrophobicContact CE2-CD2 4.03Å; F681-Y727 HydrophobicContact CE2-CE1 4.14Å; F681-Y727 AromaticContact CE2-CE2 3.67Å; F681-Y727 HydrophobicContact CE2-CE2 3.67Å; F681-Y727 HydrophobicContact CE2-CG 4.4Å; F681-Y727 AromaticContact CE2-CZ 3.72Å; F681-Y727 HydrophobicContact CZ-CD2 4.24Å; F681-Y727 AromaticContact CZ-CE2 3.79Å; F681-Y727 HydrophobicContact CZ-CE2 3.79Å; F681-A824 WeakPolarHBondContact CE1-O 3.43Å; F681-A824 HydrophobicContact CZ-CB 4.43Å; F681-L827 HydrophobicContact CD1-CB 3.69Å; F681-L827 HydrophobicContact CD2-CB 4.2Å; F681-L827 HydrophobicContact CD2-CD1 3.98Å; F681-L827 HydrophobicContact CE1-CB 3.53Å; F681-L827 HydrophobicContact CE2-CB 4.07Å; F681-L827 HydrophobicContact CE2-CD1 3.58Å; F681-L827 HydrophobicContact CE2-CG 4.47Å; F681-L827 HydrophobicContact CG-CB 4.04Å; F681-L827 HydrophobicContact CZ-CB 3.74Å; F681-L827 HydrophobicContact CZ-CD1 3.87Å; F681-L827 HydrophobicContact CZ-CG 4.49Å; F681-R828 HydrophobicContact CE1-CB 4.19Å; F681-N831 WeakPolarHBondContact CD1-OD1 3.34Å; F681-N831 PolarHBondContact O-ND2 3.17Å |
| 682 | H | 89.5 | Confident | 84.6 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -119.5 | -67.3 | 179.3 | -174.3 | 96.2 | 0 | 0 | 0 | 112.5 | K678 I685 K686 L715 E716 | K678-H682 WeakPolarHBondContact O-CA 3.32Å; K678-H682 VanDerWaalsContact O-CB 3.3Å; K678-H682 WeakPolarHBondContact O-CB 3.43Å; K678-H682 PolarHBondContact O-N 3.42Å; K678-H682 VanDerWaalsContact O-N 3.11Å; H682-I685 PolarHBondContact O-N 3.04Å; H682-K686 PolarHBondContact CE1-NZ 3.28Å; H682-K686 WeakPolarHBondContact NE2-CE 3.35Å; H682-K686 PolarHBondContact NE2-NZ 3.25Å; H682-K686 PolarHBondContact O-N 2.76Å; H682-L715 WeakPolarHBondContact CB-O 3.49Å; H682-L715 PolarHBondContact ND1-O 2.91Å; H682-E716 IonicContact CE1-OE1 3.14Å; H682-E716 PolarHBondContact CE1-OE1 3.44Å; H682-E716 IonicContact CE1-OE2 3.65Å; H682-E716 IonicContact ND1-OE1 3.73Å; H682-E716 IonicContact ND1-OE2 3.83Å |
| 683 | Y | 83.4 | Confident | 84.4 | Confident | 70 Ų | 70 | 36.7 Ų | 36.7 | 28% | 0.275 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -70.5 | -43.7 | -172.3 | -68.3 | -66 | 0 | 0 | 0 | 112.7 | K678 I685 K686 Q687 P762 M765 | K678-Y683 HydrophobicContact CB-CD2 3.97Å; K678-Y683 HydrophobicContact CB-CE2 3.88Å; K678-Y683 HydrophobicContact CD-CE2 4.22Å; K678-Y683 WeakPolarHBondContact O-CD2 3.35Å; K678-Y683 PolarHBondContact O-N 2.91Å; Y683-I685 PolarHBondContact O-N 3.36Å; Y683-K686 PolarHBondContact O-N 3.15Å; Y683-K686 VanDerWaalsContact O-N 3.17Å; Y683-Q687 PolarHBondContact O-N 3.23Å; Y683-P762 HydrophobicContact CD1-CB 3.77Å; Y683-P762 HydrophobicContact CD1-CG 4.29Å; Y683-P762 HydrophobicContact CD2-CB 3.91Å; Y683-P762 HydrophobicContact CE1-CB 3.51Å; Y683-P762 HydrophobicContact CE1-CG 3.56Å; Y683-P762 HydrophobicContact CE2-CB 3.63Å; Y683-P762 HydrophobicContact CE2-CG 4.1Å; Y683-P762 HydrophobicContact CG-CB 3.98Å; Y683-P762 VanDerWaalsContact CZ-CB 3.44Å; Y683-P762 VanDerWaalsContact CZ-CG 3.45Å; Y683-P762 WeakPolarHBondContact OH-CD 3.28Å; Y683-P762 WeakPolarHBondContact OH-CG 3.32Å; Y683-M765 HydrophobicContact CE2-CE 4.4Å |
| 684 | G | 80.4 | Confident | 84.1 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.7 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L679 Q687 L688 | L679-G684 WeakPolarHBondContact O-CA 3.46Å; L679-G684 PolarHBondContact O-N 3.5Å; G684-Q687 PolarHBondContact O-N 2.85Å; G684-L688 WeakPolarHBondContact O-CB 3.31Å; G684-L688 PolarHBondContact O-N 3.32Å |
| 685 | I | 84.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.1 | -45.5 | 174.7 | -59.1 | -58.2 | 0 | 0 | 0 | 111.4 | H682 Y683 Q687 L688 L689 P712 P714 N831 Y832 | H682-I685 PolarHBondContact O-N 3.04Å; Y683-I685 PolarHBondContact O-N 3.36Å; I685-Q687 VanDerWaalsContact C-N 3.26Å; I685-Q687 PolarHBondContact O-N 3.23Å; I685-L688 WeakPolarHBondContact O-CB 3.43Å; I685-L688 PolarHBondContact O-N 3.21Å; I685-L689 HydrophobicContact CG2-CD1 4.15Å; I685-L689 HydrophobicContact CG2-CG 4.44Å; I685-L689 WeakPolarHBondContact O-CG 3.25Å; I685-L689 PolarHBondContact O-N 3.36Å; I685-P712 HydrophobicContact CD1-CB 4.1Å; I685-P712 HydrophobicContact CD1-CG 4.42Å; I685-P712 HydrophobicContact CG2-CB 3.77Å; I685-P712 HydrophobicContact CG2-CG 3.88Å; I685-P714 HydrophobicContact CB-CB 4.34Å; I685-P714 HydrophobicContact CG2-CB 4.23Å; I685-N831 HydrophobicContact CD1-CB 4.31Å; I685-N831 HydrophobicContact CG1-CB 4.47Å; I685-Y832 HydrophobicContact CD1-CE2 4.1Å |
| 686 | K | 84.1 | Confident | 83.6 | Confident | 80 Ų | 80 | 50 Ų | 50 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.7 | -39.7 | 173.2 | -77.3 | -176 | 172.7 | 173.3 | 0 | 111.9 | H682 Y683 L689 R690 P714 | H682-K686 PolarHBondContact CE1-NZ 3.28Å; H682-K686 WeakPolarHBondContact NE2-CE 3.35Å; H682-K686 PolarHBondContact NE2-NZ 3.25Å; H682-K686 PolarHBondContact O-N 2.76Å; Y683-K686 PolarHBondContact O-N 3.15Å; Y683-K686 VanDerWaalsContact O-N 3.17Å; K686-L689 PolarHBondContact O-N 3.03Å; K686-R690 WeakPolarHBondContact O-CG 3.25Å; K686-R690 PolarHBondContact O-N 2.94Å; K686-P714 HydrophobicContact CG-CB 3.96Å; K686-P714 HydrophobicContact CG-CG 4.08Å |
| 687 | Q | 78.9 | Confident | 83.2 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 176.5 | -172.9 | 174.5 | 22.6 | 0 | 0 | 111.8 | Y683 G684 I685 L689 R690 H691 | Y683-Q687 PolarHBondContact O-N 3.23Å; G684-Q687 PolarHBondContact O-N 2.85Å; I685-Q687 VanDerWaalsContact C-N 3.26Å; I685-Q687 PolarHBondContact O-N 3.23Å; Q687-L689 VanDerWaalsContact C-N 3.35Å; Q687-L689 PolarHBondContact O-N 3.07Å; Q687-R690 WeakPolarHBondContact O-CB 3.36Å; Q687-R690 PolarHBondContact O-N 2.74Å; Q687-H691 PolarHBondContact O-N 2.75Å; Q687-H691 PolarHBondContact O-ND1 2.86Å |
| 688 | L | 77.5 | Confident | 82.5 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.3 | -178 | 62.7 | 0 | 0 | 0 | 111.5 | H603 F604 G684 I685 R690 H691 F692 W705 P712 Y832 | H603-L688 HydrophobicContact CB-CD1 4.46Å; F604-L688 HydrophobicContact CE1-CD1 4.42Å; G684-L688 WeakPolarHBondContact O-CB 3.31Å; G684-L688 PolarHBondContact O-N 3.32Å; I685-L688 WeakPolarHBondContact O-CB 3.43Å; I685-L688 PolarHBondContact O-N 3.21Å; L688-R690 VanDerWaalsContact C-N 3.28Å; L688-R690 PolarHBondContact O-N 2.85Å; L688-H691 PolarHBondContact O-N 2.68Å; L688-F692 HydrophobicContact CD1-CD2 3.83Å; L688-F692 HydrophobicContact CD1-CE2 4.25Å; L688-F692 PolarHBondContact O-N 3.17Å; L688-W705 HydrophobicContact CD2-CH2 4.15Å; L688-W705 HydrophobicContact CG-CH2 4.2Å; L688-P712 HydrophobicContact CD2-CG 4.02Å; L688-Y832 WeakPolarHBondContact CD2-OH 3.31Å |
| 689 | L | 81.1 | Confident | 81.9 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.9 | -24.6 | 177.4 | -68.1 | 175.2 | 0 | 0 | 0 | 113.5 | I685 K686 Q687 F692 P693 P694 W705 P712 | I685-L689 HydrophobicContact CG2-CD1 4.15Å; I685-L689 HydrophobicContact CG2-CG 4.44Å; I685-L689 WeakPolarHBondContact O-CG 3.25Å; I685-L689 PolarHBondContact O-N 3.36Å; K686-L689 PolarHBondContact O-N 3.03Å; Q687-L689 VanDerWaalsContact C-N 3.35Å; Q687-L689 PolarHBondContact O-N 3.07Å; L689-F692 CarbonylContact O-C 3.58Å; L689-F692 VanDerWaalsContact O-C 3.24Å; L689-P693 VanDerWaalsContact O-CA 3.23Å; L689-P693 WeakPolarHBondContact O-CA 3.41Å; L689-P693 VanDerWaalsContact O-N 3.15Å; L689-P694 HydrophobicContact CD2-CG 4.22Å; L689-W705 HydrophobicContact CD2-CZ2 4.08Å; L689-P712 HydrophobicContact CD2-CG 4.19Å; L689-P712 HydrophobicContact CG-CG 4.49Å |
| 690 | R | 80.5 | Confident | 81.2 | Confident | 202 Ų | 202 | 70.5 Ų | 70.5 | 76% | 0.762 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.4 | -41 | 171 | -74.6 | 173.1 | -177 | 176.6 | 0.5 | 112 | K686 Q687 L688 | K686-R690 WeakPolarHBondContact O-CG 3.25Å; K686-R690 PolarHBondContact O-N 2.94Å; Q687-R690 WeakPolarHBondContact O-CB 3.36Å; Q687-R690 PolarHBondContact O-N 2.74Å; L688-R690 VanDerWaalsContact C-N 3.28Å; L688-R690 PolarHBondContact O-N 2.85Å |
| 691 | H | 76.2 | Confident | 80.5 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.6 | -34.3 | 177.9 | -68.8 | 82.7 | 0 | 0 | 0 | 112.2 | Q687 L688 K696 | Q687-H691 PolarHBondContact O-N 2.75Å; Q687-H691 PolarHBondContact O-ND1 2.86Å; L688-H691 PolarHBondContact O-N 2.68Å; H691-K696 PolarHBondContact O-NZ 3.32Å |
| 692 | F | 79.2 | Confident | 79.7 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -128.8 | 82 | 178.9 | -56.9 | -80.1 | 0 | 0 | 0 | 110.2 | F604 L688 L689 K696 F704 W705 L773 | F604-F692 HydrophobicContact CZ-CE2 4.35Å; L688-F692 HydrophobicContact CD1-CD2 3.83Å; L688-F692 HydrophobicContact CD1-CE2 4.25Å; L688-F692 PolarHBondContact O-N 3.17Å; L689-F692 CarbonylContact O-C 3.58Å; L689-F692 VanDerWaalsContact O-C 3.24Å; F692-K696 HydrophobicContact CB-CD 4.39Å; F692-K696 HydrophobicContact CD1-CD 3.87Å; F692-F704 HydrophobicContact CB-CD1 3.9Å; F692-F704 HydrophobicContact CB-CE1 3.55Å; F692-F704 HydrophobicContact CB-CZ 4.09Å; F692-F704 HydrophobicContact CD1-CD1 4.04Å; F692-F704 AromaticContact CD1-CD2 3.89Å; F692-F704 HydrophobicContact CD1-CD2 3.89Å; F692-F704 AromaticContact CD1-CE1 3.49Å; F692-F704 HydrophobicContact CD1-CE1 3.49Å; F692-F704 VanDerWaalsContact CD1-CE1 3.49Å; F692-F704 AromaticContact CD1-CE2 3.31Å; F692-F704 HydrophobicContact CD1-CE2 3.31Å; F692-F704 HydrophobicContact CD1-CG 4.24Å; F692-F704 AromaticContact CD1-CZ 3.09Å; F692-F704 HydrophobicContact CD1-CZ 3.09Å; F692-F704 HydrophobicContact CD2-CE1 4.39Å; F692-F704 HydrophobicContact CD2-CZ 4.22Å; F692-F704 HydrophobicContact CE1-CD2 4.34Å; F692-F704 HydrophobicContact CE1-CE1 4.3Å; F692-F704 AromaticContact CE1-CE2 3.47Å; F692-F704 HydrophobicContact CE1-CE2 3.47Å; F692-F704 VanDerWaalsContact CE1-CE2 3.47Å; F692-F704 AromaticContact CE1-CZ 3.45Å; F692-F704 HydrophobicContact CE1-CZ 3.45Å; F692-F704 VanDerWaalsContact CE1-CZ 3.45Å; F692-F704 HydrophobicContact CE2-CZ 4.48Å; F692-F704 HydrophobicContact CG-CD1 4.25Å; F692-F704 AromaticContact CG-CE1 3.56Å; F692-F704 HydrophobicContact CG-CE1 3.56Å; F692-F704 HydrophobicContact CG-CE2 4.21Å; F692-F704 AromaticContact CG-CZ 3.54Å; F692-F704 HydrophobicContact CG-CZ 3.54Å; F692-F704 HydrophobicContact CZ-CE2 4.45Å; F692-F704 HydrophobicContact CZ-CZ 4.14Å; F692-W705 HydrophobicContact CB-CH2 4.5Å; F692-W705 HydrophobicContact CB-CZ2 3.69Å; F692-W705 WeakPolarHBondContact O-CZ2 3.32Å; F692-W705 PolarHBondContact O-NE1 3.3Å; F692-W705 VanDerWaalsContact O-NE1 3.07Å; F692-L773 HydrophobicContact CE2-CD1 4.48Å; F692-L773 HydrophobicContact CE2-CD2 3.67Å; F692-L773 HydrophobicContact CZ-CD2 3.85Å |
| 693 | P | 84.8 | Confident | 79 | Confident | 46 Ų | 46 | 75.5 Ų | 75.5 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | trans | -53.3 | 147.2 | 178.1 | -29.1 | 36.6 | 0 | 0 | 0 | 112.7 | L689 N695 K696 W705 | L689-P693 VanDerWaalsContact O-CA 3.23Å; L689-P693 WeakPolarHBondContact O-CA 3.41Å; L689-P693 VanDerWaalsContact O-N 3.15Å; P693-N695 WeakPolarHBondContact CB-OD1 3.29Å; P693-N695 PolarHBondContact O-N 3.39Å; P693-N695 VanDerWaalsContact O-N 3.07Å; P693-K696 WeakPolarHBondContact O-CB 3.5Å; P693-K696 PolarHBondContact O-N 3.14Å; P693-W705 PolarHBondContact O-NE1 2.84Å | ||
| 694 | P | 83.1 | Confident | 78.6 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30.4 | 179.8 | -28.3 | 34.5 | 0 | 0 | 0 | 114.5 | L689 | L689-P694 HydrophobicContact CD2-CG 4.22Š|
| 695 | N | 84.5 | Confident | 78.4 | Confident | 130 Ų | 130 | 72.9 Ų | 72.9 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 11.9 | 179.8 | 64.8 | -35.4 | 0 | 0 | 0 | 113.8 | P693 V697 | P693-N695 WeakPolarHBondContact CB-OD1 3.29Å; P693-N695 PolarHBondContact O-N 3.39Å; P693-N695 VanDerWaalsContact O-N 3.07Å; N695-V697 PolarHBondContact O-N 3.19Å |
| 696 | K | 79 | Confident | 77.5 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 31% | 0.313 | 40% | 0.396 | S | S | . | . | trans | -64.1 | 132.4 | 179.1 | -174.7 | 174.3 | -174.6 | 166.8 | 0 | 110.2 | H691 F692 P693 F704 | H691-K696 PolarHBondContact O-NZ 3.32Å; F692-K696 HydrophobicContact CB-CD 4.39Å; F692-K696 HydrophobicContact CD1-CD 3.87Å; P693-K696 WeakPolarHBondContact O-CB 3.5Å; P693-K696 PolarHBondContact O-N 3.14Å; K696-F704 HydrophobicContact CB-CB 3.88Å; K696-F704 HydrophobicContact CD-CB 4.2Å; K696-F704 HydrophobicContact CD-CD2 4.27Å; K696-F704 HydrophobicContact CD-CG 4.12Å; K696-F704 HydrophobicContact CG-CB 3.93Å; K696-F704 HydrophobicContact CG-CG 4.41Å; K696-F704 WeakPolarHBondContact O-CB 3.31Å; K696-F704 PolarHBondContact O-N 3.42Å | ||
| 697 | V | 79.9 | Confident | 76.7 | Confident | 85 Ų | 85 | 73.6 Ų | 73.6 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -117.6 | 140.2 | 177.3 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | N695 G701 T702 | N695-V697 PolarHBondContact O-N 3.19Å; V697-G701 VanDerWaalsContact CG1-O 3.3Å; V697-G701 WeakPolarHBondContact CG1-O 3.33Å; V697-T702 CarbonylContact C-O 3.59Å; V697-T702 WeakPolarHBondContact CA-O 3.41Å; V697-T702 WeakPolarHBondContact CG1-O 3.33Å |
| 698 | L | 76.5 | Confident | 75.9 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | trans | -77.9 | 167.8 | 175.6 | -65.3 | 179.5 | 0 | 0 | 0 | 110.8 | D700 G701 T702 F704 | L698-D700 WeakPolarHBondContact CB-OD1 3.35Å; L698-D700 PolarHBondContact O-N 2.84Å; L698-D700 VanDerWaalsContact O-N 3.17Å; L698-G701 PolarHBondContact O-N 2.98Å; L698-T702 PolarHBondContact N-O 2.66Å; L698-F704 HydrophobicContact CD2-CD2 3.98Å | ||
| 699 | E | 75.8 | Confident | 75.4 | Confident | 210 Ų | 210 | 77.2 Ų | 77.2 | 98% | 0.981 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.8 | -177.6 | -65.2 | -177.7 | 174.5 | 0 | 0 | 113.3 | G701 | E699-G701 VanDerWaalsContact C-N 3.27Å; E699-G701 PolarHBondContact O-N 2.75Å |
| 700 | D | 69.1 | Low | 75.1 | Confident | 116 Ų | 116 | 76.6 Ų | 76.6 | 62% | 0.62 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 4.4 | 176.5 | 66.4 | 0.9 | 0 | 0 | 0 | 114 | L698 T702 | L698-D700 WeakPolarHBondContact CB-OD1 3.35Å; L698-D700 PolarHBondContact O-N 2.84Å; L698-D700 VanDerWaalsContact O-N 3.17Å; D700-T702 VanDerWaalsContact C-N 3.32Å; D700-T702 WeakPolarHBondContact OD1-CB 3.11Å; D700-T702 WeakPolarHBondContact OD1-CG2 3.26Å; D700-T702 PolarHBondContact OD1-N 2.73Å; D700-T702 PolarHBondContact OD1-OG1 2.85Å; D700-T702 PolarHBondContact OD2-OG1 3.45Å |
| 701 | G | 71.5 | Confident | 75.3 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 82.8 | 1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V697 L698 E699 | V697-G701 VanDerWaalsContact CG1-O 3.3Å; V697-G701 WeakPolarHBondContact CG1-O 3.33Å; L698-G701 PolarHBondContact O-N 2.98Å; E699-G701 VanDerWaalsContact C-N 3.27Å; E699-G701 PolarHBondContact O-N 2.75Å |
| 702 | T | 73.4 | Confident | 75.8 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 33% | 0.331 | 39% | 0.388 | S | S | . | . | trans | -81.8 | 140.1 | 177.8 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | V697 L698 D700 F704 | V697-T702 CarbonylContact C-O 3.59Å; V697-T702 WeakPolarHBondContact CA-O 3.41Å; V697-T702 WeakPolarHBondContact CG1-O 3.33Å; L698-T702 PolarHBondContact N-O 2.66Å; D700-T702 VanDerWaalsContact C-N 3.32Å; D700-T702 WeakPolarHBondContact OD1-CB 3.11Å; D700-T702 WeakPolarHBondContact OD1-CG2 3.26Å; D700-T702 PolarHBondContact OD1-N 2.73Å; D700-T702 PolarHBondContact OD1-OG1 2.85Å; D700-T702 PolarHBondContact OD2-OG1 3.45Å; T702-F704 PolarHBondContact O-N 3.33Å | ||
| 703 | P | 74.8 | Confident | 76.3 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 135.3 | 173.4 | -22.6 | 33.2 | 0 | 0 | 0 | 111.2 | W705 S706 | P703-W705 VanDerWaalsContact C-N 3.27Å; P703-W705 PolarHBondContact O-N 3.21Å; P703-S706 WeakPolarHBondContact O-CB 3.45Å; P703-S706 PolarHBondContact O-N 2.89Å; P703-S706 PolarHBondContact O-OG 3.17Å |
| 704 | F | 76.6 | Confident | 76.6 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 6% | 0.057 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -58.4 | -40.8 | 178.2 | 174.5 | -91 | 0 | 0 | 0 | 112 | F604 F692 K696 L698 T702 S706 K709 | F604-F704 AromaticContact CE1-CE1 3.98Å; F604-F704 HydrophobicContact CE1-CE1 3.98Å; F604-F704 AromaticContact CE1-CZ 3.91Å; F604-F704 HydrophobicContact CE1-CZ 3.91Å; F604-F704 HydrophobicContact CZ-CE1 4.43Å; F604-F704 AromaticContact CZ-CZ 3.91Å; F604-F704 HydrophobicContact CZ-CZ 3.91Å; F692-F704 HydrophobicContact CB-CD1 3.9Å; F692-F704 HydrophobicContact CB-CE1 3.55Å; F692-F704 HydrophobicContact CB-CZ 4.09Å; F692-F704 HydrophobicContact CD1-CD1 4.04Å; F692-F704 AromaticContact CD1-CD2 3.89Å; F692-F704 HydrophobicContact CD1-CD2 3.89Å; F692-F704 AromaticContact CD1-CE1 3.49Å; F692-F704 HydrophobicContact CD1-CE1 3.49Å; F692-F704 VanDerWaalsContact CD1-CE1 3.49Å; F692-F704 AromaticContact CD1-CE2 3.31Å; F692-F704 HydrophobicContact CD1-CE2 3.31Å; F692-F704 HydrophobicContact CD1-CG 4.24Å; F692-F704 AromaticContact CD1-CZ 3.09Å; F692-F704 HydrophobicContact CD1-CZ 3.09Å; F692-F704 HydrophobicContact CD2-CE1 4.39Å; F692-F704 HydrophobicContact CD2-CZ 4.22Å; F692-F704 HydrophobicContact CE1-CD2 4.34Å; F692-F704 HydrophobicContact CE1-CE1 4.3Å; F692-F704 AromaticContact CE1-CE2 3.47Å; F692-F704 HydrophobicContact CE1-CE2 3.47Å; F692-F704 VanDerWaalsContact CE1-CE2 3.47Å; F692-F704 AromaticContact CE1-CZ 3.45Å; F692-F704 HydrophobicContact CE1-CZ 3.45Å; F692-F704 VanDerWaalsContact CE1-CZ 3.45Å; F692-F704 HydrophobicContact CE2-CZ 4.48Å; F692-F704 HydrophobicContact CG-CD1 4.25Å; F692-F704 AromaticContact CG-CE1 3.56Å; F692-F704 HydrophobicContact CG-CE1 3.56Å; F692-F704 HydrophobicContact CG-CE2 4.21Å; F692-F704 AromaticContact CG-CZ 3.54Å; F692-F704 HydrophobicContact CG-CZ 3.54Å; F692-F704 HydrophobicContact CZ-CE2 4.45Å; F692-F704 HydrophobicContact CZ-CZ 4.14Å; K696-F704 HydrophobicContact CB-CB 3.88Å; K696-F704 HydrophobicContact CD-CB 4.2Å; K696-F704 HydrophobicContact CD-CD2 4.27Å; K696-F704 HydrophobicContact CD-CG 4.12Å; K696-F704 HydrophobicContact CG-CB 3.93Å; K696-F704 HydrophobicContact CG-CG 4.41Å; K696-F704 WeakPolarHBondContact O-CB 3.31Å; K696-F704 PolarHBondContact O-N 3.42Å; L698-F704 HydrophobicContact CD2-CD2 3.98Å; T702-F704 PolarHBondContact O-N 3.33Å; F704-S706 VanDerWaalsContact C-N 3.27Å; F704-S706 PolarHBondContact O-N 3.33Å; F704-S706 VanDerWaalsContact O-N 3.14Å; F704-K709 HydrophobicContact CZ-CD 4.34Å |
| 705 | W | 75.6 | Confident | 77.1 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 11% | 0.114 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -86.4 | 65.1 | 175.5 | -59.8 | 108.7 | 0 | 0 | 0 | 110.7 | F604 L688 L689 F692 P693 P703 K709 Q710 C711 P712 | F604-W705 HydrophobicContact CD1-CH2 4.27Å; F604-W705 AromaticContact CD1-CZ3 3.82Å; F604-W705 HydrophobicContact CD1-CZ3 3.82Å; F604-W705 AromaticContact CE1-CH2 3.97Å; F604-W705 HydrophobicContact CE1-CH2 3.97Å; F604-W705 AromaticContact CE1-CZ3 3.93Å; F604-W705 HydrophobicContact CE1-CZ3 3.93Å; L688-W705 HydrophobicContact CD2-CH2 4.15Å; L688-W705 HydrophobicContact CG-CH2 4.2Å; L689-W705 HydrophobicContact CD2-CZ2 4.08Å; F692-W705 HydrophobicContact CB-CH2 4.5Å; F692-W705 HydrophobicContact CB-CZ2 3.69Å; F692-W705 WeakPolarHBondContact O-CZ2 3.32Å; F692-W705 PolarHBondContact O-NE1 3.3Å; F692-W705 VanDerWaalsContact O-NE1 3.07Å; P693-W705 PolarHBondContact O-NE1 2.84Å; P703-W705 VanDerWaalsContact C-N 3.27Å; P703-W705 PolarHBondContact O-N 3.21Å; W705-K709 CarbonylContact C-O 3.58Å; W705-K709 WeakPolarHBondContact CA-O 3.5Å; W705-K709 HydrophobicContact CE3-CB 4.21Å; W705-Q710 VanDerWaalsContact CE3-C 3.48Å; W705-Q710 VanDerWaalsContact CE3-O 3.26Å; W705-Q710 WeakPolarHBondContact CZ3-O 3.22Å; W705-C711 HydrophobicContact CB-CB 3.84Å; W705-C711 HydrophobicContact CD2-CB 3.74Å; W705-C711 VanDerWaalsContact CE3-CA 3.44Å; W705-C711 HydrophobicContact CE3-CB 4.12Å; W705-C711 HydrophobicContact CG-CB 3.62Å; W705-P712 VanDerWaalsContact CH2-CD 3.4Å; W705-P712 HydrophobicContact CH2-CG 4.19Å |
| 706 | S | 65.9 | Low | 77.4 | Confident | 51 Ų | 51 | 67.9 Ų | 67.9 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | trans | -133.3 | 164 | 177.2 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | P703 F704 K709 | P703-S706 WeakPolarHBondContact O-CB 3.45Å; P703-S706 PolarHBondContact O-N 2.89Å; P703-S706 PolarHBondContact O-OG 3.17Å; F704-S706 VanDerWaalsContact C-N 3.27Å; F704-S706 PolarHBondContact O-N 3.33Å; F704-S706 VanDerWaalsContact O-N 3.14Å; S706-K709 PolarHBondContact O-N 2.83Å | ||
| 707 | G | 66.6 | Low | 77.9 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -124.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K709 | G707-K709 VanDerWaalsContact C-N 3.26Å; G707-K709 PolarHBondContact O-N 2.95Å |
| 708 | P | 61.4 | Low | 78.3 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.7 | -178.7 | 30.7 | -35 | 0 | 0 | 0 | 113.8 | S606 Q710 | S606-P708 WeakPolarHBondContact CB-O 2.94Å; P708-Q710 PolarHBondContact O-N 2.86Å |
| 709 | K | 68.4 | Low | 78.8 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | trans | -89.2 | 101.6 | -176.5 | -64.1 | 175.1 | -175.8 | 169.3 | 0 | 110.9 | F604 F704 W705 S706 G707 | F604-K709 HydrophobicContact CB-CG 4.25Å; F604-K709 HydrophobicContact CD1-CG 4.32Å; F604-K709 HydrophobicContact CG-CG 4.25Å; F704-K709 HydrophobicContact CZ-CD 4.34Å; W705-K709 CarbonylContact C-O 3.58Å; W705-K709 WeakPolarHBondContact CA-O 3.5Å; W705-K709 HydrophobicContact CE3-CB 4.21Å; S706-K709 PolarHBondContact O-N 2.83Å; G707-K709 VanDerWaalsContact C-N 3.26Å; G707-K709 PolarHBondContact O-N 2.95Å | ||
| 710 | Q | 74.9 | Confident | 79.3 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | trans | -85 | 129 | 177.8 | -58.4 | -179.5 | 27.5 | 0 | 0 | 110 | S606 W705 P708 P712 Y832 I834 | S606-Q710 PolarHBondContact O-NE2 3.2Å; W705-Q710 VanDerWaalsContact CE3-C 3.48Å; W705-Q710 VanDerWaalsContact CE3-O 3.26Å; W705-Q710 WeakPolarHBondContact CZ3-O 3.22Å; P708-Q710 PolarHBondContact O-N 2.86Å; Q710-P712 VanDerWaalsContact O-CD 3.25Å; Q710-P712 WeakPolarHBondContact O-CD 3.42Å; Q710-Y832 HydrophobicContact CB-CD1 4.17Å; Q710-Y832 WeakPolarHBondContact O-CD1 3.18Å; Q710-Y832 PolarHBondContact OE1-O 3.11Å; Q710-I834 VanDerWaalsContact OE1-CG1 3.32Å | ||
| 711 | C | 83.5 | Confident | 80.1 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | trans | -70.3 | 115.2 | 175.7 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | W705 | W705-C711 HydrophobicContact CB-CB 3.84Å; W705-C711 HydrophobicContact CD2-CB 3.74Å; W705-C711 VanDerWaalsContact CE3-CA 3.44Å; W705-C711 HydrophobicContact CE3-CB 4.12Å; W705-C711 HydrophobicContact CG-CB 3.62Å | ||
| 712 | P | 87.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.013 | 34% | 0.336 | C | S | . | . | trans | -77.5 | 162.2 | -177.2 | 31.8 | -34.2 | 0 | 0 | 0 | 112 | I685 L688 L689 W705 Q710 N831 Y832 | I685-P712 HydrophobicContact CD1-CB 4.1Å; I685-P712 HydrophobicContact CD1-CG 4.42Å; I685-P712 HydrophobicContact CG2-CB 3.77Å; I685-P712 HydrophobicContact CG2-CG 3.88Å; L688-P712 HydrophobicContact CD2-CG 4.02Å; L689-P712 HydrophobicContact CD2-CG 4.19Å; L689-P712 HydrophobicContact CG-CG 4.49Å; W705-P712 VanDerWaalsContact CH2-CD 3.4Å; W705-P712 HydrophobicContact CH2-CG 4.19Å; Q710-P712 VanDerWaalsContact O-CD 3.25Å; Q710-P712 WeakPolarHBondContact O-CD 3.42Å; P712-N831 CarbonylContact C-O 3.36Å; P712-N831 WeakPolarHBondContact CA-O 3.43Å; P712-Y832 HydrophobicContact CB-CD1 3.87Å; P712-Y832 HydrophobicContact CB-CD2 4.28Å; P712-Y832 HydrophobicContact CB-CE1 3.71Å; P712-Y832 HydrophobicContact CB-CE2 4.13Å; P712-Y832 HydrophobicContact CB-CG 4.17Å; P712-Y832 HydrophobicContact CG-CD1 4.44Å; P712-Y832 HydrophobicContact CG-CE1 3.9Å | ||
| 713 | Q | 89.6 | Confident | 81.7 | Confident | 119 Ų | 119 | 60.6 Ų | 60.6 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | trans | -120.9 | 135.3 | 169.9 | -62.6 | -167.1 | -2.1 | 0 | 0 | 110.4 | N831 | Q713-N831 PolarHBondContact N-O 3.11Å; Q713-N831 PolarHBondContact O-ND2 2.79Å | ||
| 714 | P | 91.3 | Very high | 82.6 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 135 | 175.3 | 29.4 | -33.3 | 0 | 0 | 0 | 109.8 | I685 K686 | I685-P714 HydrophobicContact CB-CB 4.34Å; I685-P714 HydrophobicContact CG2-CB 4.23Å; K686-P714 HydrophobicContact CG-CB 3.96Å; K686-P714 HydrophobicContact CG-CG 4.08Å |
| 715 | L | 92.4 | Very high | 83.4 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 149 | 176.9 | -64.5 | 175.6 | 0 | 0 | 0 | 111 | W677 F681 H682 L827 Q830 N831 | W677-L715 HydrophobicContact CH2-CB 3.79Å; W677-L715 HydrophobicContact CZ2-CB 4.06Å; F681-L715 HydrophobicContact CB-CD1 4.31Å; F681-L715 PolarHBondContact O-N 3.35Å; H682-L715 WeakPolarHBondContact CB-O 3.49Å; H682-L715 PolarHBondContact ND1-O 2.91Å; L715-L827 HydrophobicContact CD1-CD2 4.29Å; L715-L827 WeakPolarHBondContact CD1-O 3.45Å; L715-Q830 HydrophobicContact CD1-CB 3.95Å; L715-Q830 HydrophobicContact CD2-CB 4.2Å; L715-N831 WeakPolarHBondContact CG-ND2 3.3Å |
| 716 | E | 91.4 | Very high | 84.2 | Confident | 135 Ų | 135 | 58.2 Ų | 58.2 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -98.6 | 139.2 | 167.9 | -64.3 | -62.2 | 164.7 | 0 | 0 | 109.6 | W677 H682 D718 H724 | W677-E716 VanDerWaalsContact CH2-C 3.46Å; H682-E716 IonicContact CE1-OE1 3.14Å; H682-E716 PolarHBondContact CE1-OE1 3.44Å; H682-E716 IonicContact CE1-OE2 3.65Å; H682-E716 IonicContact ND1-OE1 3.73Å; H682-E716 IonicContact ND1-OE2 3.83Å; E716-D718 PolarHBondContact O-N 3.07Å; E716-H724 PolarHBondContact O-CE1 3.21Å; E716-H724 VanDerWaalsContact O-CE1 3.23Å |
| 717 | F | 89.9 | Confident | 85.6 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 19% | 0.193 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 125.8 | -179.8 | -173.4 | -100.1 | 0 | 0 | 0 | 110.2 | L674 W677 T719 H724 V728 L754 | L674-F717 HydrophobicContact CD1-CB 4.5Å; L674-F717 HydrophobicContact CD1-CD1 3.68Å; L674-F717 HydrophobicContact CD1-CD2 3.81Å; L674-F717 HydrophobicContact CD1-CE1 3.72Å; L674-F717 HydrophobicContact CD1-CE2 3.85Å; L674-F717 HydrophobicContact CD1-CG 3.72Å; L674-F717 HydrophobicContact CD1-CZ 3.81Å; W677-F717 AromaticContact CD2-CD2 3.58Å; W677-F717 HydrophobicContact CD2-CD2 3.58Å; W677-F717 HydrophobicContact CD2-CE2 4.32Å; W677-F717 AromaticContact CE2-CD2 3.75Å; W677-F717 HydrophobicContact CE3-CB 3.84Å; W677-F717 AromaticContact CE3-CD2 3.71Å; W677-F717 HydrophobicContact CE3-CD2 3.71Å; W677-F717 HydrophobicContact CE3-CG 4.21Å; W677-F717 HydrophobicContact CG-CD2 4.09Å; W677-F717 HydrophobicContact CG-CE2 4.39Å; W677-F717 HydrophobicContact CH2-CB 3.88Å; W677-F717 HydrophobicContact CH2-CD2 4.29Å; W677-F717 HydrophobicContact CZ2-CB 4.5Å; W677-F717 HydrophobicContact CZ2-CD2 4.12Å; W677-F717 HydrophobicContact CZ3-CB 3.5Å; W677-F717 HydrophobicContact CZ3-CD2 4.09Å; W677-F717 HydrophobicContact CZ3-CG 4.3Å; F717-T719 HydrophobicContact CD1-CG2 4.47Å; F717-T719 HydrophobicContact CE1-CG2 3.73Å; F717-H724 HydrophobicContact CD2-CB 4.16Å; F717-H724 HydrophobicContact CE2-CB 3.85Å; F717-V728 HydrophobicContact CE2-CG2 3.67Å; F717-V728 HydrophobicContact CZ-CG2 3.88Å; F717-L754 HydrophobicContact CE1-CD1 4.2Å; F717-L754 HydrophobicContact CE1-CD2 4.43Å; F717-L754 HydrophobicContact CZ-CD1 4.02Å; F717-L754 HydrophobicContact CZ-CD2 4.48Å |
| 718 | D | 88.5 | Confident | 87 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | trans | -127.1 | 122.5 | 175.4 | -176.8 | -1 | 0 | 0 | 0 | 109.8 | E716 N720 Q721 H724 | E716-D718 PolarHBondContact O-N 3.07Å; D718-N720 PolarHBondContact O-N 3.26Å; D718-N720 WeakPolarHBondContact OD1-CB 2.92Å; D718-N720 PolarHBondContact OD1-N 2.88Å; D718-N720 PolarHBondContact OD1-ND2 2.88Å; D718-N720 VanDerWaalsContact OD1-ND2 3.08Å; D718-Q721 HydrophobicContact CB-CB 4.39Å; D718-Q721 HydrophobicContact CB-CG 3.83Å; D718-Q721 PolarHBondContact O-N 2.81Å; D718-H724 PolarHBondContact N-ND1 3.42Å; D718-H724 WeakPolarHBondContact O-CB 3.46Å | ||
| 719 | T | 86.5 | Confident | 88.6 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 17% | 0.172 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.5 | 177.3 | 50 | 0 | 0 | 0 | 0 | 113.3 | F717 R751 L754 | F717-T719 HydrophobicContact CD1-CG2 4.47Å; F717-T719 HydrophobicContact CE1-CG2 3.73Å; T719-R751 PolarHBondContact O-NH1 2.88Å; T719-L754 HydrophobicContact CG2-CB 3.94Å; T719-L754 HydrophobicContact CG2-CD1 4.23Å |
| 720 | N | 86.3 | Confident | 89.8 | Confident | 111 Ų | 111 | 47.2 Ų | 47.2 | 59% | 0.594 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -13.6 | 178.2 | -57.1 | -52.9 | 0 | 0 | 0 | 113.1 | D718 | D718-N720 PolarHBondContact O-N 3.26Å; D718-N720 WeakPolarHBondContact OD1-CB 2.92Å; D718-N720 PolarHBondContact OD1-N 2.88Å; D718-N720 PolarHBondContact OD1-ND2 2.88Å; D718-N720 VanDerWaalsContact OD1-ND2 3.08Å |
| 721 | Q | 86.6 | Confident | 90.8 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 45% | 0.453 | 24% | 0.24 | S | C | . | . | trans | -85.5 | 118 | 177.1 | -68.6 | -71.1 | -7.8 | 0 | 0 | 110.4 | D718 M723 H724 L725 | D718-Q721 HydrophobicContact CB-CB 4.39Å; D718-Q721 HydrophobicContact CB-CG 3.83Å; D718-Q721 PolarHBondContact O-N 2.81Å; Q721-M723 VanDerWaalsContact C-N 3.31Å; Q721-M723 PolarHBondContact O-N 2.92Å; Q721-H724 HydrophobicContact CB-CB 4.02Å; Q721-H724 WeakPolarHBondContact O-CB 3.25Å; Q721-H724 PolarHBondContact O-N 2.88Å; Q721-H724 VanDerWaalsContact O-N 3.08Å; Q721-L725 PolarHBondContact O-N 3.48Å; Q721-L725 VanDerWaalsContact O-N 3.12Å | ||
| 722 | D | 88.4 | Confident | 91.3 | Very high | 113 Ų | 113 | 44.1 Ų | 44.1 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59.3 | -39.8 | -173.8 | -69.2 | -23.6 | 0 | 0 | 0 | 112.8 | H724 L725 L726 R751 | D722-H724 VanDerWaalsContact C-N 3.34Å; D722-H724 PolarHBondContact O-N 3.29Å; D722-L725 PolarHBondContact O-N 3.06Å; D722-L726 VanDerWaalsContact O-CB 3.27Å; D722-L726 WeakPolarHBondContact O-CB 3.2Å; D722-L726 PolarHBondContact O-N 3.02Å; D722-R751 IonicContact OD1-NH2 3.55Å |
| 723 | M | 89.8 | Confident | 91.7 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 29% | 0.286 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.2 | -29.1 | 179.2 | -63.7 | -57.3 | -90.5 | 0 | 0 | 113.2 | Q721 L726 Y727 S826 | Q721-M723 VanDerWaalsContact C-N 3.31Å; Q721-M723 PolarHBondContact O-N 2.92Å; M723-L726 HydrophobicContact SD-CD2 4.22Å; M723-Y727 PolarHBondContact O-N 3.09Å; M723-Y727 VanDerWaalsContact O-N 3.16Å; M723-S826 WeakPolarHBondContact CE-OG 3.48Å |
| 724 | H | 93.4 | Very high | 92 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -44.4 | 175.4 | -68.3 | -144.6 | 0 | 0 | 0 | 109.8 | W677 E716 F717 D718 Q721 D722 V728 L827 | W677-H724 AromaticContact CE2-ND1 4Å; W677-H724 AromaticContact CZ2-CE1 3.51Å; W677-H724 AromaticContact CZ2-ND1 3.38Å; W677-H724 WeakPolarHBondContact CZ2-ND1 3.48Å; E716-H724 PolarHBondContact O-CE1 3.21Å; E716-H724 VanDerWaalsContact O-CE1 3.23Å; F717-H724 HydrophobicContact CD2-CB 4.16Å; F717-H724 HydrophobicContact CE2-CB 3.85Å; D718-H724 PolarHBondContact N-ND1 3.42Å; D718-H724 WeakPolarHBondContact O-CB 3.46Å; Q721-H724 HydrophobicContact CB-CB 4.02Å; Q721-H724 WeakPolarHBondContact O-CB 3.25Å; Q721-H724 PolarHBondContact O-N 2.88Å; Q721-H724 VanDerWaalsContact O-N 3.08Å; D722-H724 VanDerWaalsContact C-N 3.34Å; D722-H724 PolarHBondContact O-N 3.29Å; H724-V728 PolarHBondContact O-N 2.65Å; H724-L827 WeakPolarHBondContact CD2-CD2 3.43Å |
| 725 | L | 92.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.8 | -169.1 | 69.3 | 0 | 0 | 0 | 111.7 | Q721 D722 Y727 V728 L729 L750 R751 L754 | Q721-L725 PolarHBondContact O-N 3.48Å; Q721-L725 VanDerWaalsContact O-N 3.12Å; D722-L725 PolarHBondContact O-N 3.06Å; L725-Y727 VanDerWaalsContact C-N 3.34Å; L725-Y727 PolarHBondContact O-N 3.38Å; L725-V728 PolarHBondContact O-N 2.96Å; L725-L729 WeakPolarHBondContact O-CB 3.17Å; L725-L729 PolarHBondContact O-N 2.85Å; L725-L750 HydrophobicContact CD1-CD2 3.59Å; L725-L750 HydrophobicContact CD1-CG 3.83Å; L725-L750 HydrophobicContact CG-CD2 4.07Å; L725-R751 HydrophobicContact CD1-CG 3.97Å; L725-R751 HydrophobicContact CD2-CG 3.95Å; L725-R751 VanDerWaalsContact CD2-NE 3.32Å; L725-L754 HydrophobicContact CD1-CD1 3.73Å |
| 726 | L | 93.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 35.4 Ų | 35.4 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60 | -43 | 178.6 | -177.2 | 61.8 | 0 | 0 | 0 | 111.7 | D722 M723 V728 L729 A730 D819 A823 | D722-L726 VanDerWaalsContact O-CB 3.27Å; D722-L726 WeakPolarHBondContact O-CB 3.2Å; D722-L726 PolarHBondContact O-N 3.02Å; M723-L726 HydrophobicContact SD-CD2 4.22Å; L726-V728 PolarHBondContact O-N 3.48Å; L726-L729 PolarHBondContact O-N 3.25Å; L726-A730 VanDerWaalsContact O-CB 3.32Å; L726-A730 WeakPolarHBondContact O-CB 3.42Å; L726-A730 PolarHBondContact O-N 2.95Å; L726-D819 HydrophobicContact CD1-CB 4.11Å; L726-D819 HydrophobicContact CG-CB 4.47Å; L726-A823 HydrophobicContact CB-CB 4.35Å; L726-A823 HydrophobicContact CD2-CB 4.2Å; L726-A823 HydrophobicContact CG-CB 4.13Å |
| 727 | Y | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 175.8 | -179.2 | -87.3 | 0 | 0 | 0 | 111.7 | H676 W677 F681 M723 L725 A731 F820 A823 A824 L827 | H676-Y727 PolarHBondContact CE1-OH 3.2Å; H676-Y727 AromaticContact ND1-CZ 3.96Å; H676-Y727 PolarHBondContact ND1-OH 3.06Å; W677-Y727 HydrophobicContact CB-CD1 3.84Å; W677-Y727 HydrophobicContact CB-CE1 3.71Å; W677-Y727 AromaticContact CD1-CD1 3.46Å; W677-Y727 VanDerWaalsContact CD1-CD1 3.46Å; W677-Y727 AromaticContact CD1-CG 3.84Å; W677-Y727 HydrophobicContact CG-CD1 4.06Å; W677-Y727 HydrophobicContact CG-CE1 4.29Å; F681-Y727 HydrophobicContact CE2-CD1 4.46Å; F681-Y727 HydrophobicContact CE2-CD2 4.03Å; F681-Y727 HydrophobicContact CE2-CE1 4.14Å; F681-Y727 AromaticContact CE2-CE2 3.67Å; F681-Y727 HydrophobicContact CE2-CE2 3.67Å; F681-Y727 HydrophobicContact CE2-CG 4.4Å; F681-Y727 AromaticContact CE2-CZ 3.72Å; F681-Y727 HydrophobicContact CZ-CD2 4.24Å; F681-Y727 AromaticContact CZ-CE2 3.79Å; F681-Y727 HydrophobicContact CZ-CE2 3.79Å; M723-Y727 PolarHBondContact O-N 3.09Å; M723-Y727 VanDerWaalsContact O-N 3.16Å; L725-Y727 VanDerWaalsContact C-N 3.34Å; L725-Y727 PolarHBondContact O-N 3.38Å; Y727-A731 HydrophobicContact CE1-CB 4.31Å; Y727-A731 WeakPolarHBondContact O-CB 3.33Å; Y727-A731 PolarHBondContact O-N 2.86Å; Y727-F820 HydrophobicContact CD2-CE2 4.41Å; Y727-F820 HydrophobicContact CE2-CD2 4.26Å; Y727-F820 AromaticContact CE2-CE2 3.7Å; Y727-F820 HydrophobicContact CE2-CE2 3.7Å; Y727-F820 HydrophobicContact CE2-CZ 4.26Å; Y727-F820 AromaticContact CZ-CE2 3.9Å; Y727-A823 HydrophobicContact CD2-CB 4.37Å; Y727-A824 HydrophobicContact CD2-CB 3.94Å; Y727-A824 HydrophobicContact CE2-CB 3.65Å; Y727-L827 HydrophobicContact CD2-CD1 3.78Å; Y727-L827 HydrophobicContact CG-CD1 3.74Å |
| 728 | V | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | -178.4 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | V670 A673 F717 H724 L725 L726 A732 L750 L754 | V670-V728 HydrophobicContact CG1-CG1 4.09Å; A673-V728 HydrophobicContact CB-CG1 4.02Å; F717-V728 HydrophobicContact CE2-CG2 3.67Å; F717-V728 HydrophobicContact CZ-CG2 3.88Å; H724-V728 PolarHBondContact O-N 2.65Å; L725-V728 PolarHBondContact O-N 2.96Å; L726-V728 PolarHBondContact O-N 3.48Å; V728-A732 WeakPolarHBondContact O-CB 3.46Å; V728-A732 PolarHBondContact O-N 2.86Å; V728-L750 HydrophobicContact CG1-CD1 4.24Å; V728-L754 HydrophobicContact CG1-CD1 4.42Å; V728-L754 HydrophobicContact CG1-CD2 4.2Å |
| 729 | L | 94.9 | Very high | 92.4 | Very high | 24 Ų | 24 | 28.1 Ų | 28.1 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 177.6 | -178.4 | 66.1 | 0 | 0 | 0 | 111.6 | W666 L725 L726 N733 S744 L750 | W666-L729 HydrophobicContact CZ2-CD1 4.46Å; L725-L729 WeakPolarHBondContact O-CB 3.17Å; L725-L729 PolarHBondContact O-N 2.85Å; L726-L729 PolarHBondContact O-N 3.25Å; L729-N733 WeakPolarHBondContact O-CB 3.3Å; L729-N733 PolarHBondContact O-N 2.97Å; L729-N733 VanDerWaalsContact O-N 3.09Å; L729-N733 PolarHBondContact O-ND2 3.13Å; L729-S744 VanDerWaalsContact CD1-O 3.3Å; L729-S744 WeakPolarHBondContact CD1-O 3.19Å; L729-L750 HydrophobicContact CB-CD2 3.75Å; L729-L750 HydrophobicContact CD1-CD2 3.91Å; L729-L750 HydrophobicContact CG-CD2 4.39Å |
| 730 | A | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66 | -50.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L726 A732 N733 L734 F816 D819 F820 | L726-A730 VanDerWaalsContact O-CB 3.32Å; L726-A730 WeakPolarHBondContact O-CB 3.42Å; L726-A730 PolarHBondContact O-N 2.95Å; A730-A732 VanDerWaalsContact C-N 3.33Å; A730-A732 PolarHBondContact O-N 2.86Å; A730-N733 PolarHBondContact O-N 3.34Å; A730-N733 VanDerWaalsContact O-N 3.16Å; A730-L734 VanDerWaalsContact O-CG 3.26Å; A730-L734 WeakPolarHBondContact O-CG 2.97Å; A730-L734 PolarHBondContact O-N 3.16Å; A730-F816 HydrophobicContact CB-CB 4.03Å; A730-F816 HydrophobicContact CB-CD1 4.49Å; A730-D819 HydrophobicContact CB-CB 4.13Å; A730-F820 HydrophobicContact CB-CB 3.91Å |
| 731 | A | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W672 A673 Y727 Y735 F820 | W672-A731 HydrophobicContact CZ3-CB 4.1Å; A673-A731 HydrophobicContact CB-CB 3.85Å; Y727-A731 HydrophobicContact CE1-CB 4.31Å; Y727-A731 WeakPolarHBondContact O-CB 3.33Å; Y727-A731 PolarHBondContact O-N 2.86Å; A731-Y735 VanDerWaalsContact O-CB 3.31Å; A731-Y735 WeakPolarHBondContact O-CB 3.37Å; A731-Y735 PolarHBondContact O-N 3.45Å; A731-F820 HydrophobicContact CB-CD2 3.88Å; A731-F820 HydrophobicContact CB-CE2 3.89Å |
| 732 | A | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | W666 C669 V670 A673 V728 A730 Y735 A736 | W666-A732 HydrophobicContact CH2-CB 3.29Å; W666-A732 HydrophobicContact CZ2-CB 3.81Å; W666-A732 HydrophobicContact CZ3-CB 3.73Å; W666-A732 WeakPolarHBondContact CZ3-O 3.47Å; C669-A732 HydrophobicContact CB-CB 4.13Å; V670-A732 HydrophobicContact CG2-CB 4.01Å; A673-A732 HydrophobicContact CB-CB 3.96Å; V728-A732 WeakPolarHBondContact O-CB 3.46Å; V728-A732 PolarHBondContact O-N 2.86Å; A730-A732 VanDerWaalsContact C-N 3.33Å; A730-A732 PolarHBondContact O-N 2.86Å; A732-Y735 PolarHBondContact O-N 3.15Å; A732-A736 WeakPolarHBondContact O-CB 3.2Å; A732-A736 PolarHBondContact O-N 2.97Å |
| 733 | N | 96.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.032 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 179.9 | -86.3 | -62.3 | 0 | 0 | 0 | 111.1 | W666 L729 A730 Y735 A736 Q737 G743 S744 F816 | W666-N733 HydrophobicContact CH2-CB 3.97Å; W666-N733 WeakPolarHBondContact CH2-ND2 3.47Å; W666-N733 WeakPolarHBondContact CH2-OD1 3.3Å; W666-N733 HydrophobicContact CZ3-CB 4.27Å; L729-N733 WeakPolarHBondContact O-CB 3.3Å; L729-N733 PolarHBondContact O-N 2.97Å; L729-N733 VanDerWaalsContact O-N 3.09Å; L729-N733 PolarHBondContact O-ND2 3.13Å; A730-N733 PolarHBondContact O-N 3.34Å; A730-N733 VanDerWaalsContact O-N 3.16Å; N733-Y735 VanDerWaalsContact C-N 3.35Å; N733-A736 PolarHBondContact O-N 3.47Å; N733-Q737 WeakPolarHBondContact O-CB 3.36Å; N733-Q737 VanDerWaalsContact O-CG 3.26Å; N733-Q737 WeakPolarHBondContact O-CG 3.26Å; N733-Q737 PolarHBondContact O-N 3.37Å; N733-G743 WeakPolarHBondContact OD1-CA 3.36Å; N733-S744 PolarHBondContact ND2-O 3.44Å; N733-S744 PolarHBondContact OD1-N 3.37Å; N733-S744 VanDerWaalsContact OD1-N 3.13Å; N733-S744 PolarHBondContact OD1-O 3.39Å; N733-F816 HydrophobicContact CB-CD2 3.54Å; N733-F816 HydrophobicContact CB-CE2 3.77Å; N733-F816 HydrophobicContact CB-CG 4.02Å; N733-F816 HydrophobicContact CB-CZ 4.41Å |
| 734 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | 175.7 | -64.2 | 173.7 | 0 | 0 | 0 | 111.8 | F619 F623 A730 Q737 M738 L806 N815 F816 H817 F820 | F619-L734 HydrophobicContact CD2-CD1 4.04Å; F619-L734 HydrophobicContact CE2-CD1 3.74Å; F619-L734 HydrophobicContact CE2-CD2 4.26Å; F623-L734 HydrophobicContact CD1-CB 3.8Å; F623-L734 HydrophobicContact CD2-CB 4.25Å; F623-L734 HydrophobicContact CD2-CD1 4.02Å; F623-L734 HydrophobicContact CE1-CB 3.55Å; F623-L734 HydrophobicContact CE2-CB 4.03Å; F623-L734 HydrophobicContact CE2-CD1 3.58Å; F623-L734 HydrophobicContact CE2-CG 4.46Å; F623-L734 HydrophobicContact CG-CB 4.15Å; F623-L734 HydrophobicContact CZ-CB 3.67Å; F623-L734 HydrophobicContact CZ-CD1 3.92Å; F623-L734 HydrophobicContact CZ-CG 4.46Å; A730-L734 VanDerWaalsContact O-CG 3.26Å; A730-L734 WeakPolarHBondContact O-CG 2.97Å; A730-L734 PolarHBondContact O-N 3.16Å; L734-Q737 PolarHBondContact O-N 2.89Å; L734-M738 WeakPolarHBondContact O-CB 3.14Å; L734-M738 PolarHBondContact O-N 2.9Å; L734-L806 HydrophobicContact CB-CD1 4.09Å; L734-L806 HydrophobicContact CD2-CD1 3.92Å; L734-L806 WeakPolarHBondContact O-CD1 3.26Å; L734-N815 WeakPolarHBondContact CD2-O 3.24Å; L734-F816 HydrophobicContact CD2-CB 4.23Å; L734-F816 HydrophobicContact CG-CB 4.26Å; L734-H817 VanDerWaalsContact CD2-CD2 3.43Å; L734-H817 WeakPolarHBondContact CD2-CD2 3.3Å; L734-F820 HydrophobicContact CD1-CB 3.61Å; L734-F820 HydrophobicContact CD1-CD2 4.33Å; L734-F820 HydrophobicContact CD1-CG 3.92Å |
| 735 | Y | 92.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 175.2 | -161.6 | -118.4 | 0 | 0 | 0 | 111.3 | V658 P663 C669 W672 A731 A732 N733 Q737 M738 H739 | V658-Y735 HydrophobicContact CG1-CE2 3.75Å; V658-Y735 PolarHBondContact O-OH 3.33Å; P663-Y735 HydrophobicContact CB-CE1 4.11Å; P663-Y735 HydrophobicContact CG-CD1 4.06Å; P663-Y735 HydrophobicContact CG-CE1 3.58Å; C669-Y735 HydrophobicContact CB-CD1 4.2Å; W672-Y735 HydrophobicContact CB-CD1 4.33Å; W672-Y735 HydrophobicContact CB-CE1 4.2Å; W672-Y735 AromaticContact CD1-CZ 3.96Å; W672-Y735 AromaticContact CD2-CD1 3.91Å; W672-Y735 HydrophobicContact CD2-CD1 3.91Å; W672-Y735 HydrophobicContact CD2-CD2 4.01Å; W672-Y735 HydrophobicContact CD2-CE1 4.06Å; W672-Y735 HydrophobicContact CD2-CE2 4.18Å; W672-Y735 AromaticContact CD2-CG 3.9Å; W672-Y735 HydrophobicContact CD2-CG 3.9Å; W672-Y735 AromaticContact CE2-CD2 3.89Å; W672-Y735 AromaticContact CE2-CE2 3.82Å; W672-Y735 AromaticContact CE3-CD1 3.97Å; W672-Y735 HydrophobicContact CE3-CD1 3.97Å; W672-Y735 HydrophobicContact CE3-CD2 4.05Å; W672-Y735 AromaticContact CE3-CG 3.68Å; W672-Y735 HydrophobicContact CE3-CG 3.68Å; W672-Y735 HydrophobicContact CG-CD1 4.06Å; W672-Y735 AromaticContact CG-CE1 3.85Å; W672-Y735 HydrophobicContact CG-CE1 3.85Å; W672-Y735 AromaticContact CH2-CD2 3.95Å; W672-Y735 HydrophobicContact CH2-CD2 3.95Å; W672-Y735 HydrophobicContact CH2-CG 4.33Å; W672-Y735 AromaticContact CZ2-CD2 3.88Å; W672-Y735 HydrophobicContact CZ2-CD2 3.88Å; W672-Y735 HydrophobicContact CZ2-CE2 4.06Å; W672-Y735 HydrophobicContact CZ2-CG 4.49Å; W672-Y735 HydrophobicContact CZ3-CD2 4.02Å; W672-Y735 AromaticContact CZ3-CG 3.92Å; W672-Y735 HydrophobicContact CZ3-CG 3.92Å; W672-Y735 AromaticContact NE1-CE2 3.95Å; W672-Y735 AromaticContact NE1-CZ 3.9Å; A731-Y735 VanDerWaalsContact O-CB 3.31Å; A731-Y735 WeakPolarHBondContact O-CB 3.37Å; A731-Y735 PolarHBondContact O-N 3.45Å; A732-Y735 PolarHBondContact O-N 3.15Å; N733-Y735 VanDerWaalsContact C-N 3.35Å; Y735-Q737 PolarHBondContact O-N 3.4Å; Y735-M738 HydrophobicContact CD2-CE 3.52Å; Y735-M738 HydrophobicContact CE2-CE 3.41Å; Y735-M738 VanDerWaalsContact CE2-CE 3.41Å; Y735-M738 PolarHBondContact O-N 3.13Å; Y735-H739 AromaticContact CD2-NE2 3.99Å; Y735-H739 AromaticContact CE1-CD2 3.88Å; Y735-H739 AromaticContact CE1-NE2 3.72Å; Y735-H739 AromaticContact CE2-CD2 3.89Å; Y735-H739 AromaticContact CE2-NE2 3.36Å; Y735-H739 WeakPolarHBondContact CE2-NE2 3.09Å; Y735-H739 AromaticContact CZ-CD2 3.78Å; Y735-H739 AromaticContact CZ-NE2 3.2Å; Y735-H739 PolarHBondContact O-CD2 3.05Å; Y735-H739 PolarHBondContact O-N 3.06Å; Y735-H739 VanDerWaalsContact O-N 3.16Å; Y735-H739 PolarHBondContact OH-NE2 2.76Å |
| 736 | A | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W666 A732 N733 M738 H739 G740 L741 | W666-A736 HydrophobicContact CE3-CB 3.92Å; W666-A736 HydrophobicContact CZ3-CB 3.81Å; A732-A736 WeakPolarHBondContact O-CB 3.2Å; A732-A736 PolarHBondContact O-N 2.97Å; N733-A736 PolarHBondContact O-N 3.47Å; A736-M738 PolarHBondContact O-N 2.89Å; A736-H739 CarbonylContact O-C 3.58Å; A736-H739 PolarHBondContact O-N 3.42Å; A736-H739 VanDerWaalsContact O-N 3.13Å; A736-G740 PolarHBondContact O-N 3.47Å; A736-L741 HydrophobicContact CB-CB 4.11Å; A736-L741 PolarHBondContact O-N 2.95Å |
| 737 | Q | 94.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 32.8 Ų | 32.8 | 29% | 0.285 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 177.2 | -72.9 | 176.1 | 35 | 0 | 0 | 112.4 | N733 L734 Y735 H739 G740 L806 | N733-Q737 WeakPolarHBondContact O-CB 3.36Å; N733-Q737 VanDerWaalsContact O-CG 3.26Å; N733-Q737 WeakPolarHBondContact O-CG 3.26Å; N733-Q737 PolarHBondContact O-N 3.37Å; L734-Q737 PolarHBondContact O-N 2.89Å; Y735-Q737 PolarHBondContact O-N 3.4Å; Q737-H739 PolarHBondContact O-N 2.88Å; Q737-G740 PolarHBondContact O-N 3.42Å; Q737-G740 VanDerWaalsContact O-N 3.15Å; Q737-L806 HydrophobicContact CB-CD1 4.2Å; Q737-L806 HydrophobicContact CB-CD2 4.31Å |
| 738 | M | 91.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -34.3 | 176.3 | -175.8 | -176 | 72.5 | 0 | 0 | 112.1 | A627 L734 Y735 A736 L803 K804 L806 | A627-M738 HydrophobicContact CB-CG 4.09Å; A627-M738 HydrophobicContact CB-SD 4.02Å; L734-M738 WeakPolarHBondContact O-CB 3.14Å; L734-M738 PolarHBondContact O-N 2.9Å; Y735-M738 HydrophobicContact CD2-CE 3.52Å; Y735-M738 HydrophobicContact CE2-CE 3.41Å; Y735-M738 VanDerWaalsContact CE2-CE 3.41Å; Y735-M738 PolarHBondContact O-N 3.13Å; A736-M738 PolarHBondContact O-N 2.89Å; M738-L803 HydrophobicContact CE-CD1 4.18Å; M738-L803 HydrophobicContact CG-CB 4.24Å; M738-L803 HydrophobicContact CG-CD1 4.49Å; M738-L803 HydrophobicContact SD-CD1 4.41Å; M738-K804 WeakPolarHBondContact CA-O 3.11Å; M738-K804 WeakPolarHBondContact CG-O 3.43Å; M738-K804 PolarHBondContact O-N 3.35Å; M738-L806 HydrophobicContact CB-CD1 4.48Å; M738-L806 HydrophobicContact CB-CG 4.45Å |
| 739 | H | 90.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 39.6 Ų | 39.6 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.4 | 177.6 | -73.4 | -79.7 | 0 | 0 | 0 | 114.3 | P663 Y735 A736 Q737 L741 W797 L803 | P663-H739 HydrophobicContact CG-CB 4.08Å; P663-H739 VanDerWaalsContact CG-CD2 3.43Å; P663-H739 WeakPolarHBondContact CG-CD2 2.92Å; Y735-H739 AromaticContact CD2-NE2 3.99Å; Y735-H739 AromaticContact CE1-CD2 3.88Å; Y735-H739 AromaticContact CE1-NE2 3.72Å; Y735-H739 AromaticContact CE2-CD2 3.89Å; Y735-H739 AromaticContact CE2-NE2 3.36Å; Y735-H739 WeakPolarHBondContact CE2-NE2 3.09Å; Y735-H739 AromaticContact CZ-CD2 3.78Å; Y735-H739 AromaticContact CZ-NE2 3.2Å; Y735-H739 PolarHBondContact O-CD2 3.05Å; Y735-H739 PolarHBondContact O-N 3.06Å; Y735-H739 VanDerWaalsContact O-N 3.16Å; Y735-H739 PolarHBondContact OH-NE2 2.76Å; A736-H739 CarbonylContact O-C 3.58Å; A736-H739 PolarHBondContact O-N 3.42Å; A736-H739 VanDerWaalsContact O-N 3.13Å; Q737-H739 PolarHBondContact O-N 2.88Å; H739-L741 VanDerWaalsContact C-N 3.31Å; H739-L741 HydrophobicContact CB-CD1 4.16Å; H739-L741 HydrophobicContact CB-CG 4.14Å; H739-L741 PolarHBondContact O-N 3.27Å; H739-W797 AromaticContact CE1-CH2 3.86Å; H739-W797 AromaticContact CE1-CZ3 3.63Å; H739-L803 VanDerWaalsContact CE1-CD2 3.49Å; H739-L803 WeakPolarHBondContact CE1-CD2 3.3Å; H739-L803 VanDerWaalsContact ND1-CD2 3.25Å; H739-L803 WeakPolarHBondContact ND1-CD2 3.19Å |
| 740 | G | 90.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 38.6 Ų | 38.6 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 24.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A736 Q737 | A736-G740 PolarHBondContact O-N 3.47Å; Q737-G740 PolarHBondContact O-N 3.42Å; Q737-G740 VanDerWaalsContact O-N 3.15Å |
| 741 | L | 92.8 | Very high | 90.8 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | trans | -95.4 | 152.1 | 178 | -64.1 | 175.2 | 0 | 0 | 0 | 111.6 | P663 A736 H739 | P663-L741 HydrophobicContact CB-CD1 3.91Å; P663-L741 HydrophobicContact CG-CD1 3.87Å; A736-L741 HydrophobicContact CB-CB 4.11Å; A736-L741 PolarHBondContact O-N 2.95Å; H739-L741 VanDerWaalsContact C-N 3.31Å; H739-L741 HydrophobicContact CB-CD1 4.16Å; H739-L741 HydrophobicContact CB-CG 4.14Å; H739-L741 PolarHBondContact O-N 3.27Å | ||
| 742 | P | 91.7 | Very high | 90.5 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 67% | 0.669 | 28% | 0.281 | S | S | * | . | trans | -68.4 | 133.8 | 173.8 | 28.4 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 743 | G | 90.8 | Very high | 90.1 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | trans | -89.3 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N733 | N733-G743 WeakPolarHBondContact OD1-CA 3.36Š| ||
| 744 | S | 90.1 | Very high | 89.7 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | trans | -140.1 | 147 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | L729 N733 D746 | L729-S744 VanDerWaalsContact CD1-O 3.3Å; L729-S744 WeakPolarHBondContact CD1-O 3.19Å; N733-S744 PolarHBondContact ND2-O 3.44Å; N733-S744 PolarHBondContact OD1-N 3.37Å; N733-S744 VanDerWaalsContact OD1-N 3.13Å; N733-S744 PolarHBondContact OD1-O 3.39Å; S744-D746 PolarHBondContact OG-N 2.95Å | ||
| 745 | Q | 88.4 | Confident | 89.2 | Confident | 141 Ų | 141 | 54 Ų | 54 | 66% | 0.659 | 32% | 0.317 | S | S | * | . | trans | -109.3 | -1.4 | 174.6 | -56 | -166.9 | -13.1 | 0 | 0 | 112.8 | S747 F816 | Q745-S747 PolarHBondContact O-N 3.16Å; Q745-F816 HydrophobicContact CG-CZ 3.96Å | ||
| 746 | D | 88.1 | Confident | 88.7 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | trans | -75.8 | 99.6 | -176.5 | -174.5 | -15.9 | 0 | 0 | 0 | 111 | S744 T748 A749 L750 | S744-D746 PolarHBondContact OG-N 2.95Å; D746-T748 PolarHBondContact O-N 3.09Å; D746-T748 WeakPolarHBondContact OD1-CA 3.32Å; D746-T748 WeakPolarHBondContact OD1-CB 3.45Å; D746-T748 PolarHBondContact OD1-N 3.35Å; D746-A749 HydrophobicContact CB-CB 3.9Å; D746-A749 VanDerWaalsContact CG-CB 3.47Å; D746-A749 PolarHBondContact O-N 3.28Å; D746-A749 PolarHBondContact OD1-N 2.89Å; D746-A749 WeakPolarHBondContact OD2-CB 3.33Å; D746-L750 WeakPolarHBondContact O-CB 3.46Å; D746-L750 PolarHBondContact O-N 3Å | ||
| 747 | S | 83.1 | Confident | 88.1 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -28.7 | 177.9 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | Q745 R751 | Q745-S747 PolarHBondContact O-N 3.16Å; S747-R751 VanDerWaalsContact O-CG 3.3Å; S747-R751 WeakPolarHBondContact O-CG 3.42Å; S747-R751 PolarHBondContact O-N 2.9Å |
| 748 | T | 85.4 | Confident | 86.9 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -74.8 | -47.9 | -179.5 | -51.9 | 0 | 0 | 0 | 0 | 109.7 | D746 L750 R751 E752 | D746-T748 PolarHBondContact O-N 3.09Å; D746-T748 WeakPolarHBondContact OD1-CA 3.32Å; D746-T748 WeakPolarHBondContact OD1-CB 3.45Å; D746-T748 PolarHBondContact OD1-N 3.35Å; T748-L750 VanDerWaalsContact C-N 3.29Å; T748-L750 PolarHBondContact O-N 3.44Å; T748-R751 PolarHBondContact O-N 2.87Å; T748-E752 PolarHBondContact O-N 2.99Å; T748-E752 VanDerWaalsContact O-N 3.09Å |
| 749 | A | 84.8 | Confident | 85.7 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D746 E752 L753 | D746-A749 HydrophobicContact CB-CB 3.9Å; D746-A749 VanDerWaalsContact CG-CB 3.47Å; D746-A749 PolarHBondContact O-N 3.28Å; D746-A749 PolarHBondContact OD1-N 2.89Å; D746-A749 WeakPolarHBondContact OD2-CB 3.33Å; A749-E752 PolarHBondContact O-N 3.18Å; A749-L753 VanDerWaalsContact O-CB 3.31Å; A749-L753 WeakPolarHBondContact O-CB 3.3Å; A749-L753 PolarHBondContact O-N 2.99Å |
| 750 | L | 88.9 | Confident | 84.4 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.6 | 178.3 | 61.3 | 0 | 0 | 0 | 112.1 | V670 L725 V728 L729 D746 T748 E752 L753 L754 | V670-L750 HydrophobicContact CB-CD1 4.36Å; V670-L750 HydrophobicContact CG1-CD1 3.57Å; V670-L750 HydrophobicContact CG2-CD1 3.77Å; L725-L750 HydrophobicContact CD1-CD2 3.59Å; L725-L750 HydrophobicContact CD1-CG 3.83Å; L725-L750 HydrophobicContact CG-CD2 4.07Å; V728-L750 HydrophobicContact CG1-CD1 4.24Å; L729-L750 HydrophobicContact CB-CD2 3.75Å; L729-L750 HydrophobicContact CD1-CD2 3.91Å; L729-L750 HydrophobicContact CG-CD2 4.39Å; D746-L750 WeakPolarHBondContact O-CB 3.46Å; D746-L750 PolarHBondContact O-N 3Å; T748-L750 VanDerWaalsContact C-N 3.29Å; T748-L750 PolarHBondContact O-N 3.44Å; L750-E752 PolarHBondContact O-N 3.44Å; L750-L753 PolarHBondContact O-N 3.44Å; L750-L754 HydrophobicContact CD1-CD1 3.99Å; L750-L754 HydrophobicContact CD1-CG 4.08Å; L750-L754 HydrophobicContact CG-CD1 3.89Å; L750-L754 HydrophobicContact CG-CG 4.43Å; L750-L754 WeakPolarHBondContact O-CB 3.2Å; L750-L754 VanDerWaalsContact O-CG 3.29Å; L750-L754 WeakPolarHBondContact O-CG 3.49Å; L750-L754 PolarHBondContact O-N 2.91Å |
| 751 | R | 88.9 | Confident | 83 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 25% | 0.249 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 178.2 | -77.2 | 176.6 | -169.1 | -114.1 | 0.7 | 111.7 | T719 D722 L725 S747 T748 L754 K755 | T719-R751 PolarHBondContact O-NH1 2.88Å; D722-R751 IonicContact OD1-NH2 3.55Å; L725-R751 HydrophobicContact CD1-CG 3.97Å; L725-R751 HydrophobicContact CD2-CG 3.95Å; L725-R751 VanDerWaalsContact CD2-NE 3.32Å; S747-R751 VanDerWaalsContact O-CG 3.3Å; S747-R751 WeakPolarHBondContact O-CG 3.42Å; S747-R751 PolarHBondContact O-N 2.9Å; T748-R751 PolarHBondContact O-N 2.87Å; R751-L754 PolarHBondContact O-N 2.87Å; R751-K755 WeakPolarHBondContact O-CG 3.41Å; R751-K755 PolarHBondContact O-N 3.45Å |
| 752 | E | 86.8 | Confident | 81.1 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.7 | -68.3 | -52.6 | 127.7 | 0 | 0 | 112 | T748 A749 L750 L754 K755 L756 | T748-E752 PolarHBondContact O-N 2.99Å; T748-E752 VanDerWaalsContact O-N 3.09Å; A749-E752 PolarHBondContact O-N 3.18Å; L750-E752 PolarHBondContact O-N 3.44Å; E752-L754 VanDerWaalsContact C-N 3.34Å; E752-L754 PolarHBondContact O-N 3.08Å; E752-K755 PolarHBondContact O-N 3.45Å; E752-K755 IonicContact OE1-NZ 3.42Å; E752-K755 PolarHBondContact OE1-NZ 3.21Å; E752-K755 IonicContact OE2-NZ 3.42Å; E752-L756 WeakPolarHBondContact O-CG 3.34Å; E752-L756 PolarHBondContact O-N 3.38Å |
| 753 | L | 87.6 | Confident | 79.2 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.3 | -172.8 | 63.8 | 0 | 0 | 0 | 111.9 | Q667 V670 A749 L750 K755 L756 L757 | Q667-L753 HydrophobicContact CB-CD1 4.38Å; Q667-L753 HydrophobicContact CB-CD2 4.09Å; Q667-L753 HydrophobicContact CG-CD1 3.88Å; Q667-L753 HydrophobicContact CG-CD2 4.2Å; Q667-L753 HydrophobicContact CG-CG 4.45Å; V670-L753 HydrophobicContact CB-CD2 4.04Å; V670-L753 HydrophobicContact CG1-CD2 4.07Å; V670-L753 HydrophobicContact CG2-CD2 4.03Å; A749-L753 VanDerWaalsContact O-CB 3.31Å; A749-L753 WeakPolarHBondContact O-CB 3.3Å; A749-L753 PolarHBondContact O-N 2.99Å; L750-L753 PolarHBondContact O-N 3.44Å; L753-K755 VanDerWaalsContact C-N 3.27Å; L753-K755 PolarHBondContact O-N 3.45Å; L753-L756 PolarHBondContact O-N 3.45Å; L753-L756 VanDerWaalsContact O-N 3.08Å; L753-L757 HydrophobicContact CG-CD1 4.12Å; L753-L757 HydrophobicContact CG-CG 4.31Å; L753-L757 WeakPolarHBondContact O-CG 3.36Å; L753-L757 PolarHBondContact O-N 2.95Å |
| 754 | L | 88 | Confident | 77.3 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.6 | -27.9 | 178.7 | -74.6 | 168.2 | 0 | 0 | 0 | 113.5 | V670 L674 F717 T719 L725 V728 L750 R751 E752 L757 | V670-L754 HydrophobicContact CG1-CD2 3.83Å; V670-L754 HydrophobicContact CG1-CG 4.28Å; L674-L754 HydrophobicContact CB-CD2 4.2Å; L674-L754 HydrophobicContact CD1-CD2 4.33Å; L674-L754 HydrophobicContact CD2-CD2 3.9Å; L674-L754 HydrophobicContact CG-CD2 4.36Å; F717-L754 HydrophobicContact CE1-CD1 4.2Å; F717-L754 HydrophobicContact CE1-CD2 4.43Å; F717-L754 HydrophobicContact CZ-CD1 4.02Å; F717-L754 HydrophobicContact CZ-CD2 4.48Å; T719-L754 HydrophobicContact CG2-CB 3.94Å; T719-L754 HydrophobicContact CG2-CD1 4.23Å; L725-L754 HydrophobicContact CD1-CD1 3.73Å; V728-L754 HydrophobicContact CG1-CD1 4.42Å; V728-L754 HydrophobicContact CG1-CD2 4.2Å; L750-L754 HydrophobicContact CD1-CD1 3.99Å; L750-L754 HydrophobicContact CD1-CG 4.08Å; L750-L754 HydrophobicContact CG-CD1 3.89Å; L750-L754 HydrophobicContact CG-CG 4.43Å; L750-L754 WeakPolarHBondContact O-CB 3.2Å; L750-L754 VanDerWaalsContact O-CG 3.29Å; L750-L754 WeakPolarHBondContact O-CG 3.49Å; L750-L754 PolarHBondContact O-N 2.91Å; R751-L754 PolarHBondContact O-N 2.87Å; E752-L754 VanDerWaalsContact C-N 3.34Å; E752-L754 PolarHBondContact O-N 3.08Å; L754-L757 HydrophobicContact CD2-CD1 4.43Å |
| 755 | K | 84.6 | Confident | 75.4 | Confident | 129 Ų | 129 | 76.8 Ų | 76.8 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72.3 | -30.9 | 172.8 | -68 | 170.7 | -173 | 169.4 | 0 | 112.5 | R751 E752 L753 | R751-K755 WeakPolarHBondContact O-CG 3.41Å; R751-K755 PolarHBondContact O-N 3.45Å; E752-K755 PolarHBondContact O-N 3.45Å; E752-K755 IonicContact OE1-NZ 3.42Å; E752-K755 PolarHBondContact OE1-NZ 3.21Å; E752-K755 IonicContact OE2-NZ 3.42Å; L753-K755 VanDerWaalsContact C-N 3.27Å; L753-K755 PolarHBondContact O-N 3.45Å |
| 756 | L | 82.6 | Confident | 73.5 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 74% | 0.738 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -88.8 | -23.5 | -176.5 | -65.8 | 171.5 | 0 | 0 | 0 | 113.1 | E752 L753 | E752-L756 WeakPolarHBondContact O-CG 3.34Å; E752-L756 PolarHBondContact O-N 3.38Å; L753-L756 PolarHBondContact O-N 3.45Å; L753-L756 VanDerWaalsContact O-N 3.08Å |
| 757 | L | 79.7 | Confident | 71.7 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -68.9 | 133.1 | 179.9 | -77.7 | 171.2 | 0 | 0 | 0 | 111.1 | Q667 V670 A671 L753 L754 | Q667-L757 HydrophobicContact CG-CD2 4.04Å; V670-L757 HydrophobicContact CB-CD1 4.38Å; V670-L757 HydrophobicContact CG1-CD1 3.72Å; A671-L757 HydrophobicContact CB-CD1 4.37Å; A671-L757 HydrophobicContact CB-CD2 4.25Å; L753-L757 HydrophobicContact CG-CD1 4.12Å; L753-L757 HydrophobicContact CG-CG 4.31Å; L753-L757 WeakPolarHBondContact O-CG 3.36Å; L753-L757 PolarHBondContact O-N 2.95Å; L754-L757 HydrophobicContact CD2-CD1 4.43Å |
| 758 | P | 69.9 | Low | 70.1 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 69% | 0.688 | 38% | 0.377 | S | S | * | . | trans | -61.3 | 142.3 | 174.3 | 26.1 | -32.2 | 0 | 0 | 0 | 109.6 | P760 | P758-P760 WeakPolarHBondContact O-CD 3.34Å; P758-P760 VanDerWaalsContact O-N 3.1Å | ||
| 759 | Q | 66 | Low | 68.3 | Low | 142 Ų | 142 | 67.8 Ų | 67.8 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | trans | -61.2 | 115 | 175.9 | -66.9 | -72.6 | -30.5 | 0 | 0 | 108.4 | K678 | K678-Q759 VanDerWaalsContact CE-OE1 3.3Š| ||
| 760 | P | 64.5 | Low | 66.1 | Low | 30 Ų | 30 | 68 Ų | 68 | 20% | 0.195 | 36% | 0.358 | C | S | . | . | trans | -68.2 | 139.9 | -172.9 | 25.5 | -35.2 | 0 | 0 | 0 | 111 | K678 P758 M765 | K678-P760 HydrophobicContact CD-CG 4.08Å; P758-P760 WeakPolarHBondContact O-CD 3.34Å; P758-P760 VanDerWaalsContact O-N 3.1Å; P760-M765 HydrophobicContact CB-CE 3.71Å; P760-M765 HydrophobicContact CB-SD 3.62Å; P760-M765 HydrophobicContact CG-CE 3.83Å; P760-M765 HydrophobicContact CG-SD 3.92Å; P760-M765 WeakPolarHBondContact O-CE 3.38Å | ||
| 761 | D | 60.4 | Low | 64 | Low | 61 Ų | 61 | 68.7 Ų | 68.7 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | trans | -72.5 | 123.7 | -177.7 | 176.9 | 0.5 | 0 | 0 | 0 | 110.8 | Q763 Q764 | D761-Q763 PolarHBondContact O-N 3.01Å; D761-Q763 PolarHBondContact OD1-N 2.73Å; D761-Q764 HydrophobicContact CB-CB 4.3Å; D761-Q764 HydrophobicContact CB-CG 3.92Å; D761-Q764 WeakPolarHBondContact O-CB 3.46Å; D761-Q764 PolarHBondContact O-N 2.87Å | ||
| 762 | P | 51.8 | Low | 61.9 | Low | 45 Ų | 45 | 67.9 Ų | 67.9 | 29% | 0.292 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -54.1 | -32.8 | 177 | 14.8 | -27.1 | 0 | 0 | 0 | 114.9 | Y683 Q764 M765 A766 | Y683-P762 HydrophobicContact CD1-CB 3.77Å; Y683-P762 HydrophobicContact CD1-CG 4.29Å; Y683-P762 HydrophobicContact CD2-CB 3.91Å; Y683-P762 HydrophobicContact CE1-CB 3.51Å; Y683-P762 HydrophobicContact CE1-CG 3.56Å; Y683-P762 HydrophobicContact CE2-CB 3.63Å; Y683-P762 HydrophobicContact CE2-CG 4.1Å; Y683-P762 HydrophobicContact CG-CB 3.98Å; Y683-P762 VanDerWaalsContact CZ-CB 3.44Å; Y683-P762 VanDerWaalsContact CZ-CG 3.45Å; Y683-P762 WeakPolarHBondContact OH-CD 3.28Å; Y683-P762 WeakPolarHBondContact OH-CG 3.32Å; P762-Q764 VanDerWaalsContact C-N 3.26Å; P762-Q764 PolarHBondContact O-N 3.38Å; P762-M765 PolarHBondContact O-N 2.87Å; P762-A766 PolarHBondContact O-N 3.48Å |
| 763 | Q | 52.3 | Low | 59.8 | Low | 162 Ų | 162 | 66.4 Ų | 66.4 | 76% | 0.757 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -70.7 | -25.1 | 179.3 | -67.7 | -174.4 | -10.3 | 0 | 0 | 112.4 | D761 M765 | D761-Q763 PolarHBondContact O-N 3.01Å; D761-Q763 PolarHBondContact OD1-N 2.73Å; Q763-M765 VanDerWaalsContact C-N 3.28Å |
| 764 | Q | 51.3 | Low | 57.6 | Low | 122 Ų | 122 | 69.8 Ų | 69.8 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -81.4 | -8.8 | 175.7 | -62.3 | 179.8 | 5.3 | 0 | 0 | 112.8 | R660 D761 P762 | R660-Q764 WeakPolarHBondContact CD-O 3.49Å; R660-Q764 PolarHBondContact NE-O 2.93Å; R660-Q764 VanDerWaalsContact NE-O 3.09Å; R660-Q764 PolarHBondContact NH1-O 3.2Å; D761-Q764 HydrophobicContact CB-CB 4.3Å; D761-Q764 HydrophobicContact CB-CG 3.92Å; D761-Q764 WeakPolarHBondContact O-CB 3.46Å; D761-Q764 PolarHBondContact O-N 2.87Å; P762-Q764 VanDerWaalsContact C-N 3.26Å; P762-Q764 PolarHBondContact O-N 3.38Å |
| 765 | M | 50 | Low | 55.3 | Low | 29 Ų | 29 | 71.5 Ų | 71.5 | 14% | 0.143 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -12.5 | -173.9 | -60.6 | -172.6 | -69 | 0 | 0 | 114.3 | G675 K678 L679 Y683 P760 P762 Q763 | G675-M765 VanDerWaalsContact C-SD 3.53Å; G675-M765 WeakPolarHBondContact CA-SD 3.4Å; K678-M765 HydrophobicContact CD-CE 4.49Å; L679-M765 WeakPolarHBondContact CD2-O 3.47Å; Y683-M765 HydrophobicContact CE2-CE 4.4Å; P760-M765 HydrophobicContact CB-CE 3.71Å; P760-M765 HydrophobicContact CB-SD 3.62Å; P760-M765 HydrophobicContact CG-CE 3.83Å; P760-M765 HydrophobicContact CG-SD 3.92Å; P760-M765 WeakPolarHBondContact O-CE 3.38Å; P762-M765 PolarHBondContact O-N 2.87Å; Q763-M765 VanDerWaalsContact C-N 3.28Å |
| 766 | A | 49.4 | Very low | 53.2 | Low | 39 Ų | 39 | 68.9 Ų | 68.9 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -62.6 | 142.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R660 P762 | R660-A766 PolarHBondContact NH2-O 3.37Å; P762-A766 PolarHBondContact O-N 3.48Å |
| 767 | P | 50.4 | Low | 51.1 | Low | 53 Ų | 53 | 66.6 Ų | 66.6 | 34% | 0.344 | 38% | 0.38 | S | S | . | . | trans | -54.7 | 148.9 | 166.5 | 19.6 | -26.7 | 0 | 0 | 0 | 109.5 | F769 | P767-F769 WeakPolarHBondContact CG-O 3.45Å; P767-F769 PolarHBondContact O-N 3.19Å | ||
| 768 | I | 48.3 | Very low | 49.1 | Very low | 61 Ų | 61 | 67.5 Ų | 67.5 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -52.4 | -25.5 | 179.3 | -60.7 | -177.7 | 0 | 0 | 0 | 111.3 | L656 | L656-I768 HydrophobicContact CD2-CB 4.04Å; L656-I768 HydrophobicContact CD2-CD1 3.48Å; L656-I768 VanDerWaalsContact CD2-CD1 3.48Å; L656-I768 HydrophobicContact CD2-CG1 3.78Å |
| 769 | F | 48.6 | Very low | 47.8 | Very low | 32 Ų | 32 | 67.5 Ų | 67.5 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -108.6 | 126.4 | 175.6 | -52.2 | -66.3 | 0 | 0 | 0 | 111.8 | L656 P767 S771 L775 F782 Q786 | L656-F769 HydrophobicContact CD1-CD2 3.74Å; L656-F769 HydrophobicContact CD1-CE2 3.69Å; P767-F769 WeakPolarHBondContact CG-O 3.45Å; P767-F769 PolarHBondContact O-N 3.19Å; F769-S771 PolarHBondContact O-N 3.48Å; F769-L775 HydrophobicContact CB-CD1 3.97Å; F769-L775 HydrophobicContact CG-CD1 4.49Å; F769-F782 AromaticContact CD1-CE1 3.99Å; F769-F782 HydrophobicContact CD1-CE1 3.99Å; F769-F782 AromaticContact CE1-CE1 3.82Å; F769-F782 HydrophobicContact CE1-CE1 3.82Å; F769-F782 HydrophobicContact CG-CE1 4.47Å; F769-F782 HydrophobicContact CZ-CE1 4.15Å; F769-Q786 HydrophobicContact CE1-CB 3.68Å; F769-Q786 HydrophobicContact CE1-CG 3.79Å; F769-Q786 HydrophobicContact CZ-CB 3.92Å |
| 770 | A | 38.9 | Very low | 46.7 | Very low | 53 Ų | 53 | 64.7 Ų | 64.7 | 44% | 0.438 | 39% | 0.394 | S | S | . | . | trans | -71.6 | 106.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E774 | A770-E774 VanDerWaalsContact O-OE2 3.11Š| ||
| 771 | S | 42.9 | Very low | 45.7 | Very low | 18 Ų | 18 | 72.1 Ų | 72.1 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | trans | 68.5 | 149.3 | 173 | 93.3 | 0 | 0 | 0 | 0 | 117.3 | F769 L773 E774 | F769-S771 PolarHBondContact O-N 3.48Å; S771-L773 VanDerWaalsContact C-N 3.28Å; S771-L773 PolarHBondContact OG-N 2.88Å; S771-E774 PolarHBondContact OG-N 3.37Å | ||
| 772 | N | 45.1 | Very low | 45.2 | Very low | 49 Ų | 49 | 71.9 Ų | 71.9 | 26% | 0.262 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -78.5 | -12.5 | 172 | -69.3 | -76.4 | 0 | 0 | 0 | 113.3 | R602 K653 A776 | R602-N772 PolarHBondContact NE-ND2 3.13Å; R602-N772 PolarHBondContact NH2-ND2 3.2Å; R602-N772 PolarHBondContact NH2-OD1 3.12Å; K653-N772 WeakPolarHBondContact CE-OD1 3.41Å; K653-N772 PolarHBondContact NZ-OD1 2.94Å; N772-A776 PolarHBondContact O-N 2.87Å |
| 773 | L | 42.6 | Very low | 45.3 | Very low | 63 Ų | 63 | 71.1 Ų | 71.1 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74.8 | -39.4 | 179.6 | -123.5 | 86.2 | 0 | 0 | 0 | 110.6 | F692 S771 S777 | F692-L773 HydrophobicContact CE2-CD1 4.48Å; F692-L773 HydrophobicContact CE2-CD2 3.67Å; F692-L773 HydrophobicContact CZ-CD2 3.85Å; S771-L773 VanDerWaalsContact C-N 3.28Å; S771-L773 PolarHBondContact OG-N 2.88Å; L773-S777 PolarHBondContact O-OG 3.37Å |
| 774 | E | 41.3 | Very low | 45.5 | Very low | 102 Ų | 102 | 68.8 Ų | 68.8 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.2 | -33.2 | 174.2 | -71.1 | -178.7 | 178.5 | 0 | 0 | 112.1 | A770 S771 A776 S777 A778 | A770-E774 VanDerWaalsContact O-OE2 3.11Å; S771-E774 PolarHBondContact OG-N 3.37Å; E774-A776 VanDerWaalsContact C-N 3.34Å; E774-A776 PolarHBondContact O-N 3.24Å; E774-S777 WeakPolarHBondContact CA-OG 3.43Å; E774-S777 CarbonylContact O-C 3.54Å; E774-S777 PolarHBondContact O-N 2.88Å; E774-S777 PolarHBondContact O-OG 3.39Å; E774-A778 WeakPolarHBondContact O-CB 3.26Å; E774-A778 PolarHBondContact O-N 3.36Å |
| 775 | L | 41.5 | Very low | 45.8 | Very low | 47 Ų | 47 | 70.5 Ų | 70.5 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.6 | -31.9 | 179.6 | -128.5 | 95.7 | 0 | 0 | 0 | 113.5 | F769 A778 S779 F782 | F769-L775 HydrophobicContact CB-CD1 3.97Å; F769-L775 HydrophobicContact CG-CD1 4.49Å; L775-A778 PolarHBondContact O-N 3.49Å; L775-S779 PolarHBondContact O-N 3.43Å; L775-F782 HydrophobicContact CD1-CE2 4.48Å; L775-F782 HydrophobicContact CD1-CZ 3.88Å; L775-F782 HydrophobicContact CG-CE2 4.32Å; L775-F782 HydrophobicContact CG-CZ 4.21Å |
| 776 | A | 39.6 | Very low | 46 | Very low | 74 Ų | 74 | 72.6 Ų | 72.6 | 61% | 0.612 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.2 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N772 E774 S779 | N772-A776 PolarHBondContact O-N 2.87Å; E774-A776 VanDerWaalsContact C-N 3.34Å; E774-A776 PolarHBondContact O-N 3.24Å; A776-S779 PolarHBondContact O-OG 3.02Å |
| 777 | S | 38 | Very low | 46.6 | Very low | 93 Ų | 93 | 74 Ų | 74 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -77.5 | -23.4 | 172.3 | 47.7 | 0 | 0 | 0 | 0 | 114.1 | L773 E774 | L773-S777 PolarHBondContact O-OG 3.37Å; E774-S777 WeakPolarHBondContact CA-OG 3.43Å; E774-S777 CarbonylContact O-C 3.54Å; E774-S777 PolarHBondContact O-N 2.88Å; E774-S777 PolarHBondContact O-OG 3.39Å |
| 778 | A | 38.5 | Very low | 47.2 | Very low | 36 Ų | 36 | 78.8 Ų | 78.8 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E774 L775 A780 | E774-A778 WeakPolarHBondContact O-CB 3.26Å; E774-A778 PolarHBondContact O-N 3.36Å; L775-A778 PolarHBondContact O-N 3.49Å; A778-A780 PolarHBondContact O-N 2.71Å; A778-A780 VanDerWaalsContact O-N 3.08Å |
| 779 | S | 42.1 | Very low | 47.9 | Very low | 106 Ų | 106 | 81.5 Ų | 81.5 | 74% | 0.741 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -7.4 | 171.4 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | L775 A776 | L775-S779 PolarHBondContact O-N 3.43Å; A776-S779 PolarHBondContact O-OG 3.02Å |
| 780 | A | 42.7 | Very low | 48.6 | Very low | 84 Ų | 84 | 80.3 Ų | 80.3 | 69% | 0.694 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -19.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A778 | A778-A780 PolarHBondContact O-N 2.71Å; A778-A780 VanDerWaalsContact O-N 3.08Å |
| 781 | E | 43.5 | Very low | 49.8 | Very low | 185 Ų | 185 | 80.5 Ų | 80.5 | 86% | 0.864 | 46% | 0.456 | S | S | * | . | trans | -171.8 | 102.8 | 177.3 | -110 | 162.3 | -149.6 | 0 | 0 | 110.9 | ||||
| 782 | F | 49.7 | Very low | 51 | Low | 56 Ų | 56 | 87.1 Ų | 87.1 | 25% | 0.246 | 48% | 0.483 | C | S | . | . | trans | -87 | 135.3 | 164.9 | -101.8 | -92.1 | 0 | 0 | 0 | 109.6 | L649 F769 L775 Q786 | L649-F782 HydrophobicContact CD1-CD2 4.16Å; L649-F782 HydrophobicContact CD1-CE2 4.38Å; F769-F782 AromaticContact CD1-CE1 3.99Å; F769-F782 HydrophobicContact CD1-CE1 3.99Å; F769-F782 AromaticContact CE1-CE1 3.82Å; F769-F782 HydrophobicContact CE1-CE1 3.82Å; F769-F782 HydrophobicContact CG-CE1 4.47Å; F769-F782 HydrophobicContact CZ-CE1 4.15Å; L775-F782 HydrophobicContact CD1-CE2 4.48Å; L775-F782 HydrophobicContact CD1-CZ 3.88Å; L775-F782 HydrophobicContact CG-CE2 4.32Å; L775-F782 HydrophobicContact CG-CZ 4.21Å; F782-Q786 HydrophobicContact CD1-CB 4.08Å; F782-Q786 HydrophobicContact CE1-CB 4.48Å | ||
| 783 | G | 54.2 | Low | 52 | Low | 29 Ų | 29 | 86.5 Ų | 86.5 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | trans | -78.7 | 147.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | E785 Q786 | G783-E785 PolarHBondContact O-N 2.79Å; G783-E785 VanDerWaalsContact O-N 3.08Å; G783-Q786 VanDerWaalsContact N-OE1 3.08Å; G783-Q786 PolarHBondContact O-N 3.16Å; G783-Q786 VanDerWaalsContact O-N 3.15Å | ||
| 784 | P | 55.9 | Low | 53.2 | Low | 114 Ų | 114 | 83.7 Ų | 83.7 | 74% | 0.74 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.2 | -20.1 | 178.8 | 19.8 | -30.5 | 0 | 0 | 0 | 114.7 | K788 | P784-K788 PolarHBondContact O-N 3.39Å |
| 785 | E | 57.7 | Low | 54.5 | Low | 157 Ų | 157 | 85 Ų | 85 | 73% | 0.734 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.1 | -33.8 | 176.7 | -66.2 | -144 | 141.8 | 0 | 0 | 113.5 | G783 K788 E789 | G783-E785 PolarHBondContact O-N 2.79Å; G783-E785 VanDerWaalsContact O-N 3.08Å; E785-K788 WeakPolarHBondContact O-CB 3.43Å; E785-K788 PolarHBondContact O-N 3.37Å; E785-E789 PolarHBondContact O-N 2.89Å; E785-E789 VanDerWaalsContact O-N 3.13Å |
| 786 | Q | 55.6 | Low | 55.9 | Low | 73 Ų | 73 | 88.1 Ų | 88.1 | 34% | 0.341 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.9 | -36.8 | -176 | -69.7 | 162.7 | -33.9 | 0 | 0 | 111.8 | F769 F782 G783 K788 L790 | F769-Q786 HydrophobicContact CE1-CB 3.68Å; F769-Q786 HydrophobicContact CE1-CG 3.79Å; F769-Q786 HydrophobicContact CZ-CB 3.92Å; F782-Q786 HydrophobicContact CD1-CB 4.08Å; F782-Q786 HydrophobicContact CE1-CB 4.48Å; G783-Q786 VanDerWaalsContact N-OE1 3.08Å; G783-Q786 PolarHBondContact O-N 3.16Å; G783-Q786 VanDerWaalsContact O-N 3.15Å; Q786-K788 VanDerWaalsContact C-N 3.29Å; Q786-K788 PolarHBondContact O-N 3.47Å; Q786-L790 PolarHBondContact O-N 2.93Å |
| 787 | L | 60.7 | Low | 57.5 | Low | 70 Ų | 70 | 84.9 Ų | 84.9 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -34.3 | 169.3 | -87.6 | 146.9 | 0 | 0 | 0 | 112 | L790 N791 | L787-L790 PolarHBondContact O-N 2.81Å; L787-N791 WeakPolarHBondContact O-CB 3.34Å; L787-N791 VanDerWaalsContact O-CG 3.3Å; L787-N791 PolarHBondContact O-N 3.1Å; L787-N791 PolarHBondContact O-ND2 3.46Å |
| 788 | K | 64.3 | Low | 58.8 | Low | 152 Ų | 152 | 83.1 Ų | 83.1 | 66% | 0.661 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.7 | -41 | 179.5 | -167.1 | 179.8 | -178.9 | -179.2 | 0 | 112.5 | P784 E785 Q786 L790 K792 | P784-K788 PolarHBondContact O-N 3.39Å; E785-K788 WeakPolarHBondContact O-CB 3.43Å; E785-K788 PolarHBondContact O-N 3.37Å; Q786-K788 VanDerWaalsContact C-N 3.29Å; Q786-K788 PolarHBondContact O-N 3.47Å; K788-L790 VanDerWaalsContact C-N 3.34Å; K788-K792 PolarHBondContact O-N 3.24Å; K788-K792 VanDerWaalsContact O-N 3.13Å |
| 789 | E | 62.8 | Low | 60.3 | Low | 118 Ų | 118 | 87 Ų | 87 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 174 | -69.6 | -162.7 | 148.5 | 0 | 0 | 112.2 | E785 K792 A793 | E785-E789 PolarHBondContact O-N 2.89Å; E785-E789 VanDerWaalsContact O-N 3.13Å; E789-K792 PolarHBondContact O-N 2.86Å; E789-A793 PolarHBondContact O-N 2.86Å |
| 790 | L | 62.2 | Low | 61.8 | Low | 7 Ų | 7 | 83.9 Ų | 83.9 | 4% | 0.037 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 177.1 | -178.7 | 63.4 | 0 | 0 | 0 | 112.2 | L652 L656 Q786 L787 K788 K792 A793 L794 | L652-L790 HydrophobicContact CB-CD1 4.39Å; L652-L790 HydrophobicContact CB-CD2 3.94Å; L652-L790 HydrophobicContact CD1-CD2 3.44Å; L652-L790 VanDerWaalsContact CD1-CD2 3.44Å; L652-L790 HydrophobicContact CD1-CG 4.05Å; L652-L790 HydrophobicContact CG-CD2 4.31Å; L656-L790 HydrophobicContact CD1-CD1 4.14Å; L656-L790 HydrophobicContact CD2-CD1 3.41Å; L656-L790 VanDerWaalsContact CD2-CD1 3.41Å; L656-L790 HydrophobicContact CG-CD1 3.76Å; Q786-L790 PolarHBondContact O-N 2.93Å; L787-L790 PolarHBondContact O-N 2.81Å; K788-L790 VanDerWaalsContact C-N 3.34Å; L790-K792 VanDerWaalsContact C-N 3.31Å; L790-K792 PolarHBondContact O-N 2.91Å; L790-A793 PolarHBondContact O-N 2.8Å; L790-L794 HydrophobicContact CG-CD1 4.28Å; L790-L794 WeakPolarHBondContact O-CG 3.43Å; L790-L794 PolarHBondContact O-N 3.01Å |
| 791 | N | 65.8 | Low | 63.6 | Low | 58 Ų | 58 | 83.9 Ų | 83.9 | 31% | 0.31 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.2 | -76.6 | -19.8 | 0 | 0 | 0 | 111.6 | L640 L787 A793 L794 E795 | L640-N791 VanDerWaalsContact CD1-OD1 3.27Å; L640-N791 WeakPolarHBondContact CD1-OD1 3.47Å; L787-N791 WeakPolarHBondContact O-CB 3.34Å; L787-N791 VanDerWaalsContact O-CG 3.3Å; L787-N791 PolarHBondContact O-N 3.1Å; L787-N791 PolarHBondContact O-ND2 3.46Å; N791-A793 VanDerWaalsContact C-N 3.31Å; N791-A793 PolarHBondContact O-N 3.42Å; N791-L794 PolarHBondContact O-N 3.11Å; N791-E795 WeakPolarHBondContact O-CG 3.32Å; N791-E795 PolarHBondContact O-N 3.48Å |
| 792 | K | 67.7 | Low | 65.6 | Low | 156 Ų | 156 | 79.4 Ų | 79.4 | 68% | 0.678 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.9 | -36.1 | 177.5 | -167.6 | -179.2 | -178.3 | -175.8 | 0 | 112.6 | K788 E789 L790 | K788-K792 PolarHBondContact O-N 3.24Å; K788-K792 VanDerWaalsContact O-N 3.13Å; E789-K792 PolarHBondContact O-N 2.86Å; L790-K792 VanDerWaalsContact C-N 3.31Å; L790-K792 PolarHBondContact O-N 2.91Å |
| 793 | A | 66.1 | Low | 67.4 | Low | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | E789 L790 N791 F796 W797 | E789-A793 PolarHBondContact O-N 2.86Å; L790-A793 PolarHBondContact O-N 2.8Å; N791-A793 VanDerWaalsContact C-N 3.31Å; N791-A793 PolarHBondContact O-N 3.42Å; A793-F796 WeakPolarHBondContact O-CB 3.27Å; A793-F796 PolarHBondContact O-N 2.92Å; A793-W797 VanDerWaalsContact O-CD1 3.24Å |
| 794 | L | 67.9 | Low | 69.1 | Low | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.2 | -34.9 | 178 | -70.8 | 166.4 | 0 | 0 | 0 | 113.2 | L640 L652 V655 L790 N791 F796 W797 T798 | L640-L794 HydrophobicContact CD1-CD1 3.87Å; L652-L794 HydrophobicContact CD1-CD1 3.99Å; L652-L794 HydrophobicContact CD2-CD1 3.59Å; L652-L794 HydrophobicContact CD2-CD2 4.1Å; L652-L794 HydrophobicContact CD2-CG 4.45Å; L652-L794 HydrophobicContact CG-CD1 4.43Å; V655-L794 HydrophobicContact CG1-CD2 3.88Å; L790-L794 HydrophobicContact CG-CD1 4.28Å; L790-L794 WeakPolarHBondContact O-CG 3.43Å; L790-L794 PolarHBondContact O-N 3.01Å; N791-L794 PolarHBondContact O-N 3.11Å; L794-F796 PolarHBondContact O-N 3.15Å; L794-W797 CarbonylContact O-C 3.54Å; L794-W797 WeakPolarHBondContact O-CA 3.42Å; L794-W797 PolarHBondContact O-N 3.47Å; L794-T798 PolarHBondContact O-N 2.89Å; L794-T798 VanDerWaalsContact O-N 3.08Å |
| 795 | E | 68.3 | Low | 70.7 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 60% | 0.603 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.2 | -28.8 | 173 | -80.3 | 178.5 | -179.3 | 0 | 0 | 113 | N791 W797 T798 | N791-E795 WeakPolarHBondContact O-CG 3.32Å; N791-E795 PolarHBondContact O-N 3.48Å; E795-W797 VanDerWaalsContact C-N 3.29Å; E795-T798 PolarHBondContact O-OG1 3.06Å |
| 796 | F | 70.2 | Confident | 72.2 | Confident | 112 Ų | 112 | 71.4 Ų | 71.4 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.8 | -31.6 | 173.2 | -179.1 | -97.3 | 0 | 0 | 0 | 111.9 | R662 A793 L794 | R662-F796 HydrophobicContact CB-CE1 4.46Å; A793-F796 WeakPolarHBondContact O-CB 3.27Å; A793-F796 PolarHBondContact O-N 2.92Å; L794-F796 PolarHBondContact O-N 3.15Å |
| 797 | W | 72.8 | Confident | 73.6 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 2% | 0.023 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -90.3 | -10.4 | -177.3 | -68.7 | 98.7 | 0 | 0 | 0 | 113.8 | I630 Q634 L659 R662 H739 A793 L794 E795 V799 | I630-W797 HydrophobicContact CD1-CB 4.39Å; I630-W797 HydrophobicContact CD1-CD2 4.17Å; I630-W797 HydrophobicContact CD1-CE3 4Å; I630-W797 HydrophobicContact CD1-CG 4.34Å; I630-W797 HydrophobicContact CG1-CB 4.43Å; I630-W797 HydrophobicContact CG2-CB 4.29Å; Q634-W797 PolarHBondContact NE2-O 3.5Å; L659-W797 HydrophobicContact CB-CD2 4.31Å; L659-W797 HydrophobicContact CB-CH2 4.4Å; L659-W797 HydrophobicContact CB-CZ2 3.58Å; L659-W797 HydrophobicContact CD2-CD2 3.99Å; L659-W797 HydrophobicContact CD2-CE3 3.92Å; L659-W797 HydrophobicContact CD2-CH2 3.28Å; L659-W797 HydrophobicContact CD2-CZ2 3.38Å; L659-W797 HydrophobicContact CD2-CZ3 3.6Å; L659-W797 HydrophobicContact CG-CH2 4.41Å; L659-W797 HydrophobicContact CG-CZ2 4.06Å; L659-W797 PolarHBondContact O-NE1 3.46Å; L659-W797 VanDerWaalsContact O-NE1 3.1Å; R662-W797 VanDerWaalsContact CA-CH2 3.49Å; R662-W797 HydrophobicContact CB-CH2 3.82Å; R662-W797 HydrophobicContact CB-CZ3 3.83Å; R662-W797 HydrophobicContact CG-CH2 4.33Å; R662-W797 HydrophobicContact CG-CZ3 3.98Å; H739-W797 AromaticContact CE1-CH2 3.86Å; H739-W797 AromaticContact CE1-CZ3 3.63Å; A793-W797 VanDerWaalsContact O-CD1 3.24Å; L794-W797 CarbonylContact O-C 3.54Å; L794-W797 WeakPolarHBondContact O-CA 3.42Å; L794-W797 PolarHBondContact O-N 3.47Å; E795-W797 VanDerWaalsContact C-N 3.29Å; W797-V799 PolarHBondContact O-N 2.86Å |
| 798 | T | 66.8 | Low | 74.8 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.1 | 170.6 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | H633 L794 E795 | H633-T798 WeakPolarHBondContact CE1-CG2 3.47Å; H633-T798 WeakPolarHBondContact ND1-CG2 3.25Å; L794-T798 PolarHBondContact O-N 2.89Å; L794-T798 VanDerWaalsContact O-N 3.08Å; E795-T798 PolarHBondContact O-OG1 3.06Å |
| 799 | V | 68.6 | Low | 75.6 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 71% | 0.709 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -105.1 | 107.1 | -179.8 | -173 | 0 | 0 | 0 | 0 | 110 | W797 | W797-V799 PolarHBondContact O-N 2.86Š|
| 800 | G | 73.8 | Confident | 76.4 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 142.6 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 801 | P | 80.9 | Confident | 76.8 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 149.4 | 179.7 | 22 | -29.7 | 0 | 0 | 0 | 111.7 | R662 | R662-P801 VanDerWaalsContact NH1-CG 3.31Å; R662-P801 PolarHBondContact NH1-O 3.31Å; R662-P801 PolarHBondContact NH2-O 3.17Å |
| 802 | P | 84.6 | Confident | 77.3 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 60% | 0.597 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 145.5 | 175.5 | 27.8 | -34.5 | 0 | 0 | 0 | 109.8 | N631 | N631-P802 WeakPolarHBondContact OD1-CA 3.14Š|
| 803 | L | 87.8 | Confident | 77.9 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 153.9 | 175 | -61.5 | -174 | 0 | 0 | 0 | 109.9 | A627 I630 N631 M738 H739 P805 | A627-L803 HydrophobicContact CB-CB 3.74Å; A627-L803 HydrophobicContact CB-CD1 4.3Å; I630-L803 HydrophobicContact CB-CD1 4.37Å; I630-L803 HydrophobicContact CD1-CD1 3.39Å; I630-L803 HydrophobicContact CD1-CG 4.43Å; I630-L803 HydrophobicContact CG1-CD1 4.45Å; N631-L803 PolarHBondContact ND2-O 3.29Å; N631-L803 PolarHBondContact OD1-N 2.85Å; M738-L803 HydrophobicContact CE-CD1 4.18Å; M738-L803 HydrophobicContact CG-CB 4.24Å; M738-L803 HydrophobicContact CG-CD1 4.49Å; M738-L803 HydrophobicContact SD-CD1 4.41Å; H739-L803 VanDerWaalsContact CE1-CD2 3.49Å; H739-L803 WeakPolarHBondContact CE1-CD2 3.3Å; H739-L803 VanDerWaalsContact ND1-CD2 3.25Å; H739-L803 WeakPolarHBondContact ND1-CD2 3.19Å; L803-P805 VanDerWaalsContact O-CD 3.31Å; L803-P805 WeakPolarHBondContact O-CD 3.35Å |
| 804 | K | 90.7 | Very high | 78.6 | Confident | 134 Ų | 134 | 62.7 Ų | 62.7 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | trans | -93.6 | 107.3 | 171.7 | -176.1 | -174.9 | 177.6 | -171.7 | 0 | 108.9 | M738 L806 | M738-K804 WeakPolarHBondContact CA-O 3.11Å; M738-K804 WeakPolarHBondContact CG-O 3.43Å; M738-K804 PolarHBondContact O-N 3.35Å; K804-L806 HydrophobicContact CD-CD2 4.34Å; K804-L806 HydrophobicContact CG-CD2 4.36Å; K804-L806 PolarHBondContact O-N 3Å | ||
| 805 | P | 88.9 | Confident | 79.6 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | trans | -62 | 131.8 | 172.9 | -18.5 | 32.6 | 0 | 0 | 0 | 110.1 | R624 A627 E628 L803 | R624-P805 HydrophobicContact CG-CB 4.21Å; A627-P805 HydrophobicContact CB-CB 4.07Å; A627-P805 HydrophobicContact CB-CG 3.96Å; E628-P805 HydrophobicContact CG-CB 3.91Å; E628-P805 HydrophobicContact CG-CG 3.81Å; L803-P805 VanDerWaalsContact O-CD 3.31Å; L803-P805 WeakPolarHBondContact O-CD 3.35Å | ||
| 806 | L | 89.9 | Confident | 80.8 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | trans | -94.9 | 114 | 178.9 | -56.5 | -172.5 | 0 | 0 | 0 | 110.1 | F619 F623 L734 Q737 M738 K804 | F619-L806 HydrophobicContact CZ-CB 4.27Å; F623-L806 HydrophobicContact CB-CB 4.11Å; F623-L806 HydrophobicContact CB-CD1 4.14Å; F623-L806 HydrophobicContact CB-CG 4.31Å; F623-L806 PolarHBondContact O-N 3.13Å; F623-L806 VanDerWaalsContact O-N 3.14Å; L734-L806 HydrophobicContact CB-CD1 4.09Å; L734-L806 HydrophobicContact CD2-CD1 3.92Å; L734-L806 WeakPolarHBondContact O-CD1 3.26Å; Q737-L806 HydrophobicContact CB-CD1 4.2Å; Q737-L806 HydrophobicContact CB-CD2 4.31Å; M738-L806 HydrophobicContact CB-CD1 4.48Å; M738-L806 HydrophobicContact CB-CG 4.45Å; K804-L806 HydrophobicContact CD-CD2 4.34Å; K804-L806 HydrophobicContact CG-CD2 4.36Å; K804-L806 PolarHBondContact O-N 3Å | ||
| 807 | M | 85.1 | Confident | 81.9 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 53% | 0.532 | 30% | 0.302 | S | S | . | . | trans | -79.3 | 130.2 | 170.5 | -62.9 | -60.5 | -66.1 | 0 | 0 | 108.8 | R624 E809 H817 | R624-M807 HydrophobicContact CG-SD 4.35Å; R624-M807 PolarHBondContact NE-SD 3.4Å; R624-M807 VanDerWaalsContact NE-SD 3.39Å; M807-E809 PolarHBondContact O-N 3.35Å; M807-E809 VanDerWaalsContact O-N 3.15Å; M807-H817 PolarHBondContact O-CE1 2.98Å | ||
| 808 | F | 84.7 | Confident | 82.7 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | trans | -64.7 | 118 | 178.9 | -176.1 | -99.6 | 0 | 0 | 0 | 110.9 | R616 F619 K810 H817 V818 V821 V846 | R616-F808 VanDerWaalsContact NH1-CB 3.26Å; F619-F808 HydrophobicContact CD1-CB 4.08Å; F619-F808 AromaticContact CD1-CD2 3.91Å; F619-F808 HydrophobicContact CD1-CD2 3.91Å; F619-F808 HydrophobicContact CD1-CG 4.46Å; F619-F808 HydrophobicContact CD2-CD2 4.32Å; F619-F808 HydrophobicContact CE1-CB 3.66Å; F619-F808 AromaticContact CE1-CD2 3.9Å; F619-F808 HydrophobicContact CE1-CD2 3.9Å; F619-F808 HydrophobicContact CE1-CG 4.29Å; F619-F808 HydrophobicContact CE2-CD2 4.29Å; F619-F808 HydrophobicContact CG-CD2 4.15Å; F619-F808 HydrophobicContact CZ-CB 4.32Å; F619-F808 HydrophobicContact CZ-CD2 4.09Å; F808-K810 HydrophobicContact CE1-CB 3.88Å; F808-K810 HydrophobicContact CZ-CB 4.43Å; F808-H817 HydrophobicContact CD2-CB 3.87Å; F808-H817 HydrophobicContact CE2-CB 3.83Å; F808-V818 HydrophobicContact CZ-CG2 4.47Å; F808-V821 HydrophobicContact CE2-CG2 3.78Å; F808-V821 HydrophobicContact CZ-CG2 4.48Å; F808-V846 HydrophobicContact CE1-CG1 3.88Å; F808-V846 HydrophobicContact CE2-CG1 4.33Å; F808-V846 HydrophobicContact CZ-CG1 3.53Å | ||
| 809 | E | 81.7 | Confident | 83.9 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | trans | -117.5 | 118.5 | 174.9 | 177.3 | 51.6 | -98.8 | 0 | 0 | 108.7 | M807 D811 D812 N815 H817 | M807-E809 PolarHBondContact O-N 3.35Å; M807-E809 VanDerWaalsContact O-N 3.15Å; E809-D811 PolarHBondContact OE1-N 3.06Å; E809-D812 HydrophobicContact CG-CB 3.99Å; E809-N815 PolarHBondContact O-ND2 2.97Å; E809-H817 PolarHBondContact N-ND1 3.09Å; E809-H817 WeakPolarHBondContact O-CB 3.41Å; E809-H817 PolarHBondContact O-ND1 3.21Å | ||
| 810 | K | 79.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -90.5 | -28.4 | -173.5 | 69.9 | -163.8 | 175.3 | -46.5 | 0 | 112.6 | F808 V818 K843 I849 | F808-K810 HydrophobicContact CE1-CB 3.88Å; F808-K810 HydrophobicContact CZ-CB 4.43Å; K810-V818 HydrophobicContact CB-CG2 4.44Å; K810-K843 WeakPolarHBondContact O-CE 3.43Å; K810-K843 PolarHBondContact O-NZ 3.18Å; K810-K843 VanDerWaalsContact O-NZ 3.12Å; K810-I849 HydrophobicContact CD-CG1 4.25Å |
| 811 | D | 70.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 44 Ų | 44 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -91.4 | -9.6 | -168.6 | -67.6 | -55.6 | 0 | 0 | 0 | 112.4 | R17 E809 | R17-D811 IonicContact CZ-OD1 2.65Å; R17-D811 IonicContact NH1-OD1 3.45Å; R17-D811 PolarHBondContact NH1-OD1 2.77Å; R17-D811 IonicContact NH2-OD1 3.67Å; R17-D811 PolarHBondContact NH2-OD1 3.47Å; R17-D811 IonicContact NH2-OD2 3.59Å; R17-D811 PolarHBondContact NH2-OD2 3.05Å; E809-D811 PolarHBondContact OE1-N 3.06Å |
| 812 | D | 77.8 | Confident | 86.6 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | trans | -94.7 | 106.8 | 168.3 | 171.9 | 10.8 | 0 | 0 | 0 | 111 | E809 S814 N815 | E809-D812 HydrophobicContact CG-CB 3.99Å; D812-S814 PolarHBondContact O-N 2.89Å; D812-S814 WeakPolarHBondContact OD1-CA 3.38Å; D812-S814 WeakPolarHBondContact OD1-CB 2.87Å; D812-S814 PolarHBondContact OD1-N 3.2Å; D812-S814 PolarHBondContact OD1-OG 3.11Å; D812-N815 WeakPolarHBondContact CB-ND2 3.03Å; D812-N815 PolarHBondContact O-ND2 2.94Å; D812-N815 VanDerWaalsContact O-ND2 3.08Å; D812-N815 PolarHBondContact O-OD1 3Å; D812-N815 WeakPolarHBondContact OD2-CB 3.24Å | ||
| 813 | D | 78.3 | Confident | 87 | Confident | 62 Ų | 62 | 35.7 Ų | 35.7 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -4.5 | -179.3 | -75.8 | -45.7 | 0 | 0 | 0 | 113.8 | R839 K843 | D813-R839 IonicContact OD1-CZ 3.56Å; D813-R839 IonicContact OD1-NH1 3.6Å; D813-R839 PolarHBondContact OD1-NH1 3.22Å; D813-R839 IonicContact OD1-NH2 2.92Å; D813-R839 PolarHBondContact OD1-NH2 3.32Å; D813-K843 IonicContact OD1-NZ 3.52Å; D813-K843 PolarHBondContact OD1-NZ 3.2Å; D813-K843 IonicContact OD2-NZ 3.67Å; D813-K843 PolarHBondContact OD2-NZ 3.4Å |
| 814 | S | 82.8 | Confident | 87.3 | Confident | 79 Ų | 79 | 35.4 Ų | 35.4 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -10.5 | -178.5 | 76.2 | 0 | 0 | 0 | 0 | 114.4 | D812 | D812-S814 PolarHBondContact O-N 2.89Å; D812-S814 WeakPolarHBondContact OD1-CA 3.38Å; D812-S814 WeakPolarHBondContact OD1-CB 2.87Å; D812-S814 PolarHBondContact OD1-N 3.2Å; D812-S814 PolarHBondContact OD1-OG 3.11Å |
| 815 | N | 88.8 | Confident | 87.4 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -87.5 | -4.5 | -173 | 65.5 | 23.9 | 0 | 0 | 0 | 115.4 | L734 E809 D812 H817 | L734-N815 WeakPolarHBondContact CD2-O 3.24Å; E809-N815 PolarHBondContact O-ND2 2.97Å; D812-N815 WeakPolarHBondContact CB-ND2 3.03Å; D812-N815 PolarHBondContact O-ND2 2.94Å; D812-N815 VanDerWaalsContact O-ND2 3.08Å; D812-N815 PolarHBondContact O-OD1 3Å; D812-N815 WeakPolarHBondContact OD2-CB 3.24Å; N815-H817 VanDerWaalsContact C-N 3.26Å; N815-H817 VanDerWaalsContact CG-CG 3.42Å; N815-H817 VanDerWaalsContact CG-ND1 3.26Å; N815-H817 PolarHBondContact ND2-CE1 2.91Å; N815-H817 PolarHBondContact ND2-ND1 2.89Å; N815-H817 PolarHBondContact O-N 3.32Å; N815-H817 WeakPolarHBondContact OD1-CB 3.29Å; N815-H817 PolarHBondContact OD1-N 3.38Å; N815-H817 PolarHBondContact OD1-ND1 2.91Å |
| 816 | F | 93.1 | Very high | 87.5 | Confident | 21 Ų | 21 | 27.3 Ų | 27.3 | 9% | 0.092 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 67.7 | 4.9 | -176.1 | -51.7 | -79.9 | 0 | 0 | 0 | 116.9 | A730 N733 L734 Q745 F820 | A730-F816 HydrophobicContact CB-CB 4.03Å; A730-F816 HydrophobicContact CB-CD1 4.49Å; N733-F816 HydrophobicContact CB-CD2 3.54Å; N733-F816 HydrophobicContact CB-CE2 3.77Å; N733-F816 HydrophobicContact CB-CG 4.02Å; N733-F816 HydrophobicContact CB-CZ 4.41Å; L734-F816 HydrophobicContact CD2-CB 4.23Å; L734-F816 HydrophobicContact CG-CB 4.26Å; Q745-F816 HydrophobicContact CG-CZ 3.96Å; F816-F820 WeakPolarHBondContact O-CB 3.28Å; F816-F820 PolarHBondContact O-N 3.44Å |
| 817 | H | 93.2 | Very high | 87.7 | Confident | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -55.5 | -179 | -62.9 | 164.4 | 0 | 0 | 0 | 111.8 | F619 L734 M807 F808 E809 N815 D819 F820 V821 | F619-H817 HydrophobicContact CE2-CB 4.13Å; F619-H817 AromaticContact CE2-CD2 3.5Å; F619-H817 VanDerWaalsContact CE2-CD2 3.5Å; F619-H817 WeakPolarHBondContact CE2-CD2 3.4Å; F619-H817 AromaticContact CE2-CG 3.94Å; F619-H817 HydrophobicContact CZ-CB 4.42Å; F619-H817 AromaticContact CZ-CD2 3.51Å; F619-H817 AromaticContact CZ-CG 3.9Å; F619-H817 AromaticContact CZ-NE2 3.85Å; L734-H817 VanDerWaalsContact CD2-CD2 3.43Å; L734-H817 WeakPolarHBondContact CD2-CD2 3.3Å; M807-H817 PolarHBondContact O-CE1 2.98Å; F808-H817 HydrophobicContact CD2-CB 3.87Å; F808-H817 HydrophobicContact CE2-CB 3.83Å; E809-H817 PolarHBondContact N-ND1 3.09Å; E809-H817 WeakPolarHBondContact O-CB 3.41Å; E809-H817 PolarHBondContact O-ND1 3.21Å; N815-H817 VanDerWaalsContact C-N 3.26Å; N815-H817 VanDerWaalsContact CG-CG 3.42Å; N815-H817 VanDerWaalsContact CG-ND1 3.26Å; N815-H817 PolarHBondContact ND2-CE1 2.91Å; N815-H817 PolarHBondContact ND2-ND1 2.89Å; N815-H817 PolarHBondContact O-N 3.32Å; N815-H817 WeakPolarHBondContact OD1-CB 3.29Å; N815-H817 PolarHBondContact OD1-N 3.38Å; N815-H817 PolarHBondContact OD1-ND1 2.91Å; H817-D819 VanDerWaalsContact C-N 3.3Å; H817-D819 PolarHBondContact O-N 2.94Å; H817-F820 PolarHBondContact O-N 3.37Å; H817-V821 WeakPolarHBondContact O-CG2 3.44Å; H817-V821 PolarHBondContact O-N 3.24Å |
| 818 | V | 89.5 | Confident | 88.1 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 178.8 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | F808 K810 V821 A822 R839 K843 | F808-V818 HydrophobicContact CZ-CG2 4.47Å; K810-V818 HydrophobicContact CB-CG2 4.44Å; V818-V821 PolarHBondContact O-N 3.21Å; V818-A822 VanDerWaalsContact O-CB 3.25Å; V818-A822 WeakPolarHBondContact O-CB 3.4Å; V818-A822 PolarHBondContact O-N 2.69Å; V818-R839 HydrophobicContact CG1-CG 4.18Å; V818-K843 HydrophobicContact CG1-CB 3.87Å; V818-K843 HydrophobicContact CG1-CD 4.44Å; V818-K843 HydrophobicContact CG1-CG 4.29Å; V818-K843 HydrophobicContact CG2-CD 4.36Å; V818-K843 HydrophobicContact CG2-CG 4.21Å |
| 819 | D | 92.3 | Very high | 88.2 | Confident | 19 Ų | 19 | 20.9 Ų | 20.9 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 179.5 | -59.4 | -33.9 | 0 | 0 | 0 | 111.7 | L726 A730 H817 A823 R839 | L726-D819 HydrophobicContact CD1-CB 4.11Å; L726-D819 HydrophobicContact CG-CB 4.47Å; A730-D819 HydrophobicContact CB-CB 4.13Å; H817-D819 VanDerWaalsContact C-N 3.3Å; H817-D819 PolarHBondContact O-N 2.94Å; D819-A823 WeakPolarHBondContact O-CB 3.41Å; D819-A823 PolarHBondContact O-N 3.49Å; D819-R839 IonicContact OD1-CZ 3.97Å; D819-R839 VanDerWaalsContact OD1-CZ 3.32Å; D819-R839 IonicContact OD1-NE 3.86Å; D819-R839 PolarHBondContact OD1-NE 3.12Å; D819-R839 IonicContact OD1-NH2 2.66Å; D819-R839 PolarHBondContact OD1-NH2 3.21Å |
| 820 | F | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -50.7 | 174.5 | 173.8 | -96.1 | 0 | 0 | 0 | 111.1 | F619 L622 F623 Y727 A730 A731 L734 F816 H817 A823 A824 | F619-F820 HydrophobicContact CB-CD1 4Å; F619-F820 HydrophobicContact CB-CE1 3.91Å; F619-F820 AromaticContact CD2-CD1 3.91Å; F619-F820 HydrophobicContact CD2-CD1 3.91Å; F619-F820 HydrophobicContact CD2-CE1 4.48Å; F619-F820 HydrophobicContact CG-CD1 4.47Å; L622-F820 HydrophobicContact CD1-CE2 4.38Å; L622-F820 HydrophobicContact CD1-CZ 3.72Å; F623-F820 HydrophobicContact CE2-CD1 4.11Å; F623-F820 HydrophobicContact CE2-CD2 4.15Å; F623-F820 AromaticContact CE2-CE1 3.96Å; F623-F820 HydrophobicContact CE2-CE1 3.96Å; F623-F820 AromaticContact CE2-CE2 3.99Å; F623-F820 HydrophobicContact CE2-CE2 3.99Å; F623-F820 HydrophobicContact CE2-CG 4.2Å; F623-F820 AromaticContact CE2-CZ 3.9Å; F623-F820 HydrophobicContact CE2-CZ 3.9Å; F623-F820 HydrophobicContact CZ-CD2 4.33Å; F623-F820 HydrophobicContact CZ-CE2 4.1Å; F623-F820 HydrophobicContact CZ-CZ 4.37Å; Y727-F820 HydrophobicContact CD2-CE2 4.41Å; Y727-F820 HydrophobicContact CE2-CD2 4.26Å; Y727-F820 AromaticContact CE2-CE2 3.7Å; Y727-F820 HydrophobicContact CE2-CE2 3.7Å; Y727-F820 HydrophobicContact CE2-CZ 4.26Å; Y727-F820 AromaticContact CZ-CE2 3.9Å; A730-F820 HydrophobicContact CB-CB 3.91Å; A731-F820 HydrophobicContact CB-CD2 3.88Å; A731-F820 HydrophobicContact CB-CE2 3.89Å; L734-F820 HydrophobicContact CD1-CB 3.61Å; L734-F820 HydrophobicContact CD1-CD2 4.33Å; L734-F820 HydrophobicContact CD1-CG 3.92Å; F816-F820 WeakPolarHBondContact O-CB 3.28Å; F816-F820 PolarHBondContact O-N 3.44Å; H817-F820 PolarHBondContact O-N 3.37Å; F820-A823 PolarHBondContact O-N 2.66Å; F820-A824 WeakPolarHBondContact O-CB 3.36Å; F820-A824 PolarHBondContact O-N 3.37Å |
| 821 | V | 92.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | -176.5 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | L612 A615 F619 F808 H817 V818 A824 A825 V846 | L612-V821 HydrophobicContact CD2-CG1 4.33Å; A615-V821 HydrophobicContact CB-CG1 3.78Å; A615-V821 WeakPolarHBondContact CB-O 3.38Å; F619-V821 HydrophobicContact CB-CG2 4.23Å; F808-V821 HydrophobicContact CE2-CG2 3.78Å; F808-V821 HydrophobicContact CZ-CG2 4.48Å; H817-V821 WeakPolarHBondContact O-CG2 3.44Å; H817-V821 PolarHBondContact O-N 3.24Å; V818-V821 PolarHBondContact O-N 3.21Å; V821-A824 PolarHBondContact O-N 3.46Å; V821-A825 VanDerWaalsContact O-CB 3.25Å; V821-A825 WeakPolarHBondContact O-CB 3.48Å; V821-A825 PolarHBondContact O-N 3.34Å; V821-V846 HydrophobicContact CG1-CB 4.34Å; V821-V846 HydrophobicContact CG1-CG1 3.96Å; V821-V846 HydrophobicContact CG1-CG2 3.52Å |
| 822 | A | 91.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V818 S826 R839 | V818-A822 VanDerWaalsContact O-CB 3.25Å; V818-A822 WeakPolarHBondContact O-CB 3.4Å; V818-A822 PolarHBondContact O-N 2.69Å; A822-S826 VanDerWaalsContact O-CB 3.3Å; A822-S826 WeakPolarHBondContact O-CB 3.45Å; A822-S826 PolarHBondContact O-N 3.16Å; A822-S826 PolarHBondContact O-OG 2.84Å; A822-R839 HydrophobicContact CB-CG 4.49Å |
| 823 | A | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -46.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L726 Y727 D819 F820 A825 S826 L827 | L726-A823 HydrophobicContact CB-CB 4.35Å; L726-A823 HydrophobicContact CD2-CB 4.2Å; L726-A823 HydrophobicContact CG-CB 4.13Å; Y727-A823 HydrophobicContact CD2-CB 4.37Å; D819-A823 WeakPolarHBondContact O-CB 3.41Å; D819-A823 PolarHBondContact O-N 3.49Å; F820-A823 PolarHBondContact O-N 2.66Å; A823-A825 PolarHBondContact O-N 3.35Å; A823-S826 PolarHBondContact O-N 3.12Å; A823-L827 WeakPolarHBondContact O-CB 3.44Å; A823-L827 WeakPolarHBondContact O-CD1 3.36Å; A823-L827 VanDerWaalsContact O-CG 3.25Å; A823-L827 WeakPolarHBondContact O-CG 3.25Å; A823-L827 PolarHBondContact O-N 3.44Å |
| 824 | A | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W614 A615 F681 Y727 F820 V821 R828 | W614-A824 HydrophobicContact CZ3-CB 4.13Å; A615-A824 HydrophobicContact CB-CB 3.75Å; F681-A824 WeakPolarHBondContact CE1-O 3.43Å; F681-A824 HydrophobicContact CZ-CB 4.43Å; Y727-A824 HydrophobicContact CD2-CB 3.94Å; Y727-A824 HydrophobicContact CE2-CB 3.65Å; F820-A824 WeakPolarHBondContact O-CB 3.36Å; F820-A824 PolarHBondContact O-N 3.37Å; V821-A824 PolarHBondContact O-N 3.46Å; A824-R828 WeakPolarHBondContact O-CB 3.19Å; A824-R828 PolarHBondContact O-N 3.08Å; A824-R828 VanDerWaalsContact O-N 3.11Å |
| 825 | A | 92.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L612 A615 V821 A823 R828 C829 | L612-A825 HydrophobicContact CB-CB 4.48Å; L612-A825 HydrophobicContact CD2-CB 3.49Å; L612-A825 VanDerWaalsContact CD2-CB 3.49Å; L612-A825 HydrophobicContact CG-CB 3.87Å; A615-A825 HydrophobicContact CB-CB 4Å; V821-A825 VanDerWaalsContact O-CB 3.25Å; V821-A825 WeakPolarHBondContact O-CB 3.48Å; V821-A825 PolarHBondContact O-N 3.34Å; A823-A825 PolarHBondContact O-N 3.35Å; A825-R828 CarbonylContact O-C 3.31Å; A825-R828 PolarHBondContact O-N 3.11Å; A825-C829 PolarHBondContact O-N 2.97Å; A825-C829 PolarHBondContact O-SG 3.27Å; A825-C829 VanDerWaalsContact O-SG 3.37Å |
| 826 | S | 91.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 18.5 Ų | 18.5 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 179.8 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | M723 A822 A823 R828 C829 Q830 | M723-S826 WeakPolarHBondContact CE-OG 3.48Å; A822-S826 VanDerWaalsContact O-CB 3.3Å; A822-S826 WeakPolarHBondContact O-CB 3.45Å; A822-S826 PolarHBondContact O-N 3.16Å; A822-S826 PolarHBondContact O-OG 2.84Å; A823-S826 PolarHBondContact O-N 3.12Å; S826-R828 VanDerWaalsContact C-N 3.29Å; S826-R828 PolarHBondContact O-N 2.9Å; S826-C829 WeakPolarHBondContact O-CB 3.38Å; S826-C829 PolarHBondContact O-N 3.33Å; S826-Q830 WeakPolarHBondContact O-CG 3.43Å; S826-Q830 PolarHBondContact O-N 3.47Å |
| 827 | L | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.3 | -71.2 | 165.1 | 0 | 0 | 0 | 111.3 | W677 F681 L715 H724 Y727 A823 Q830 N831 | W677-L827 HydrophobicContact CZ2-CD2 4.28Å; F681-L827 HydrophobicContact CD1-CB 3.69Å; F681-L827 HydrophobicContact CD2-CB 4.2Å; F681-L827 HydrophobicContact CD2-CD1 3.98Å; F681-L827 HydrophobicContact CE1-CB 3.53Å; F681-L827 HydrophobicContact CE2-CB 4.07Å; F681-L827 HydrophobicContact CE2-CD1 3.58Å; F681-L827 HydrophobicContact CE2-CG 4.47Å; F681-L827 HydrophobicContact CG-CB 4.04Å; F681-L827 HydrophobicContact CZ-CB 3.74Å; F681-L827 HydrophobicContact CZ-CD1 3.87Å; F681-L827 HydrophobicContact CZ-CG 4.49Å; L715-L827 HydrophobicContact CD1-CD2 4.29Å; L715-L827 WeakPolarHBondContact CD1-O 3.45Å; H724-L827 WeakPolarHBondContact CD2-CD2 3.43Å; Y727-L827 HydrophobicContact CD2-CD1 3.78Å; Y727-L827 HydrophobicContact CG-CD1 3.74Å; A823-L827 WeakPolarHBondContact O-CB 3.44Å; A823-L827 WeakPolarHBondContact O-CD1 3.36Å; A823-L827 VanDerWaalsContact O-CG 3.25Å; A823-L827 WeakPolarHBondContact O-CG 3.25Å; A823-L827 PolarHBondContact O-N 3.44Å; L827-Q830 WeakPolarHBondContact O-CB 3.49Å; L827-Q830 PolarHBondContact O-N 3.5Å; L827-N831 PolarHBondContact O-N 3.41Å; L827-N831 PolarHBondContact O-OD1 3.44Å |
| 828 | R | 92.3 | Very high | 87.2 | Confident | 11 Ų | 11 | 21.3 Ų | 21.3 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 174.1 | -165.6 | 169.4 | -178.4 | 89.3 | -4.6 | 112.1 | V601 R602 T611 W614 F681 A824 A825 S826 Q830 N831 Y832 | V601-R828 PolarHBondContact O-NH2 3.24Å; V601-R828 VanDerWaalsContact O-NH2 3.11Å; R602-R828 PolarHBondContact O-NH2 3.37Å; T611-R828 HydrophobicContact CG2-CB 4.12Å; T611-R828 HydrophobicContact CG2-CG 3.9Å; W614-R828 VanDerWaalsContact CE2-NH1 3.3Å; W614-R828 HydrophobicContact CE3-CB 4.34Å; W614-R828 HydrophobicContact CE3-CG 4.41Å; W614-R828 HydrophobicContact CZ3-CB 4.25Å; F681-R828 HydrophobicContact CE1-CB 4.19Å; A824-R828 WeakPolarHBondContact O-CB 3.19Å; A824-R828 PolarHBondContact O-N 3.08Å; A824-R828 VanDerWaalsContact O-N 3.11Å; A825-R828 CarbonylContact O-C 3.31Å; A825-R828 PolarHBondContact O-N 3.11Å; S826-R828 VanDerWaalsContact C-N 3.29Å; S826-R828 PolarHBondContact O-N 2.9Å; R828-Q830 VanDerWaalsContact C-N 3.3Å; R828-Q830 PolarHBondContact O-N 3.21Å; R828-N831 WeakPolarHBondContact O-CB 3.48Å; R828-N831 PolarHBondContact O-N 2.92Å; R828-Y832 HydrophobicContact CG-CD2 4.22Å; R828-Y832 HydrophobicContact CG-CE2 4.19Å; R828-Y832 WeakPolarHBondContact O-CD2 3.45Å; R828-Y832 PolarHBondContact O-N 3.27Å |
| 829 | C | 88.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 171.3 | -78.9 | 0 | 0 | 0 | 0 | 111 | T611 A825 S826 N831 Y832 G833 I834 P836 | T611-C829 PolarHBondContact OG1-SG 3.49Å; A825-C829 PolarHBondContact O-N 2.97Å; A825-C829 PolarHBondContact O-SG 3.27Å; A825-C829 VanDerWaalsContact O-SG 3.37Å; S826-C829 WeakPolarHBondContact O-CB 3.38Å; S826-C829 PolarHBondContact O-N 3.33Å; C829-N831 PolarHBondContact O-N 2.93Å; C829-Y832 PolarHBondContact O-N 2.93Å; C829-G833 PolarHBondContact O-N 3.45Å; C829-I834 HydrophobicContact CB-CB 4.06Å; C829-I834 HydrophobicContact CB-CG2 4.49Å; C829-I834 WeakPolarHBondContact CB-O 3.36Å; C829-I834 PolarHBondContact O-N 3.05Å; C829-P836 HydrophobicContact CB-CB 4.49Å |
| 830 | Q | 89.3 | Confident | 85.7 | Confident | 78 Ų | 78 | 26.6 Ų | 26.6 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 174.9 | -68.6 | 176.3 | 17.8 | 0 | 0 | 112.5 | L715 S826 L827 R828 Y832 G833 | L715-Q830 HydrophobicContact CD1-CB 3.95Å; L715-Q830 HydrophobicContact CD2-CB 4.2Å; S826-Q830 WeakPolarHBondContact O-CG 3.43Å; S826-Q830 PolarHBondContact O-N 3.47Å; L827-Q830 WeakPolarHBondContact O-CB 3.49Å; L827-Q830 PolarHBondContact O-N 3.5Å; R828-Q830 VanDerWaalsContact C-N 3.3Å; R828-Q830 PolarHBondContact O-N 3.21Å; Q830-Y832 PolarHBondContact O-N 3.37Å; Q830-G833 PolarHBondContact O-N 2.91Å |
| 831 | N | 90.6 | Very high | 84.6 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.7 | -42.2 | 175.7 | -78.3 | 133.6 | 0 | 0 | 0 | 112.2 | F681 I685 P712 Q713 L715 L827 R828 C829 | F681-N831 WeakPolarHBondContact CD1-OD1 3.34Å; F681-N831 PolarHBondContact O-ND2 3.17Å; I685-N831 HydrophobicContact CD1-CB 4.31Å; I685-N831 HydrophobicContact CG1-CB 4.47Å; P712-N831 CarbonylContact C-O 3.36Å; P712-N831 WeakPolarHBondContact CA-O 3.43Å; Q713-N831 PolarHBondContact N-O 3.11Å; Q713-N831 PolarHBondContact O-ND2 2.79Å; L715-N831 WeakPolarHBondContact CG-ND2 3.3Å; L827-N831 PolarHBondContact O-N 3.41Å; L827-N831 PolarHBondContact O-OD1 3.44Å; R828-N831 WeakPolarHBondContact O-CB 3.48Å; R828-N831 PolarHBondContact O-N 2.92Å; C829-N831 PolarHBondContact O-N 2.93Å |
| 832 | Y | 84.7 | Confident | 84 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -97.1 | -8.5 | -172.4 | -72.1 | -94.8 | 0 | 0 | 0 | 113.6 | H603 P605 I685 L688 Q710 P712 R828 C829 Q830 | H603-Y832 WeakPolarHBondContact O-CE1 3.43Å; H603-Y832 PolarHBondContact O-OH 3.14Å; P605-Y832 VanDerWaalsContact CD-CZ 3.5Å; P605-Y832 HydrophobicContact CG-CD1 3.94Å; P605-Y832 HydrophobicContact CG-CD2 3.57Å; P605-Y832 HydrophobicContact CG-CE1 3.93Å; P605-Y832 HydrophobicContact CG-CE2 3.57Å; P605-Y832 HydrophobicContact CG-CG 3.77Å; I685-Y832 HydrophobicContact CD1-CE2 4.1Å; L688-Y832 WeakPolarHBondContact CD2-OH 3.31Å; Q710-Y832 HydrophobicContact CB-CD1 4.17Å; Q710-Y832 WeakPolarHBondContact O-CD1 3.18Å; Q710-Y832 PolarHBondContact OE1-O 3.11Å; P712-Y832 HydrophobicContact CB-CD1 3.87Å; P712-Y832 HydrophobicContact CB-CD2 4.28Å; P712-Y832 HydrophobicContact CB-CE1 3.71Å; P712-Y832 HydrophobicContact CB-CE2 4.13Å; P712-Y832 HydrophobicContact CB-CG 4.17Å; P712-Y832 HydrophobicContact CG-CD1 4.44Å; P712-Y832 HydrophobicContact CG-CE1 3.9Å; R828-Y832 HydrophobicContact CG-CD2 4.22Å; R828-Y832 HydrophobicContact CG-CE2 4.19Å; R828-Y832 WeakPolarHBondContact O-CD2 3.45Å; R828-Y832 PolarHBondContact O-N 3.27Å; C829-Y832 PolarHBondContact O-N 2.93Å; Q830-Y832 PolarHBondContact O-N 3.37Å |
| 833 | G | 78.4 | Confident | 83.4 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 55% | 0.546 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 33.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C829 Q830 | C829-G833 PolarHBondContact O-N 3.45Å; Q830-G833 PolarHBondContact O-N 2.91Å |
| 834 | I | 81.6 | Confident | 82.4 | Confident | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -91.2 | 136.4 | 173.9 | -58 | 169 | 0 | 0 | 0 | 107.6 | P605 T611 Q710 C829 | P605-I834 HydrophobicContact CB-CD1 4.13Å; P605-I834 HydrophobicContact CG-CD1 4.42Å; T611-I834 HydrophobicContact CG2-CD1 3.98Å; Q710-I834 VanDerWaalsContact OE1-CG1 3.32Å; C829-I834 HydrophobicContact CB-CB 4.06Å; C829-I834 HydrophobicContact CB-CG2 4.49Å; C829-I834 WeakPolarHBondContact CB-O 3.36Å; C829-I834 PolarHBondContact O-N 3.05Å |
| 835 | P | 73.1 | Confident | 81.2 | Confident | 70 Ų | 70 | 37.7 Ų | 37.7 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 127.2 | 172.9 | -24.8 | 34.8 | 0 | 0 | 0 | 111.2 | ||
| 836 | P | 74.5 | Confident | 80.1 | Confident | 84 Ų | 84 | 38.7 Ų | 38.7 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -71.3 | 153.5 | 176 | 31 | -34.3 | 0 | 0 | 0 | 110.5 | C829 | C829-P836 HydrophobicContact CB-CB 4.49Š|
| 837 | V | 75.3 | Confident | 78.8 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -101.5 | 154.8 | 171.9 | -66 | 0 | 0 | 0 | 0 | 110.2 | A608 L612 Q841 S842 | A608-V837 HydrophobicContact CB-CG1 3.64Å; A608-V837 HydrophobicContact CB-CG2 4.45Å; L612-V837 HydrophobicContact CD1-CG2 3.89Å; V837-Q841 HydrophobicContact CB-CB 3.91Å; V837-Q841 HydrophobicContact CG2-CB 4.41Å; V837-S842 WeakPolarHBondContact CG2-OG 3.07Å |
| 838 | S | 76.1 | Confident | 77.4 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 42% | 0.42 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 158.5 | 175.8 | 63.7 | 0 | 0 | 0 | 0 | 112 | A840 Q841 S842 | S838-A840 PolarHBondContact O-N 3.23Å; S838-Q841 CarbonylContact O-C 3.44Å; S838-Q841 WeakPolarHBondContact O-CB 3.14Å; S838-Q841 PolarHBondContact O-N 3Å; S838-Q841 WeakPolarHBondContact OG-CB 3.39Å; S838-Q841 VanDerWaalsContact OG-CG 3.3Å; S838-Q841 WeakPolarHBondContact OG-CG 3.24Å; S838-Q841 PolarHBondContact OG-N 3.26Å; S838-Q841 PolarHBondContact OG-OE1 2.72Å; S838-S842 PolarHBondContact O-N 3.14Å; S838-S842 PolarHBondContact O-OG 3.01Å |
| 839 | R | 79.8 | Confident | 76.2 | Confident | 85 Ų | 85 | 46.6 Ų | 46.6 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -52.5 | -41.5 | 174.9 | -175.2 | -174.5 | -178.2 | -83.8 | -2.6 | 112.4 | D813 V818 D819 A822 S842 K843 | D813-R839 IonicContact OD1-CZ 3.56Å; D813-R839 IonicContact OD1-NH1 3.6Å; D813-R839 PolarHBondContact OD1-NH1 3.22Å; D813-R839 IonicContact OD1-NH2 2.92Å; D813-R839 PolarHBondContact OD1-NH2 3.32Å; V818-R839 HydrophobicContact CG1-CG 4.18Å; D819-R839 IonicContact OD1-CZ 3.97Å; D819-R839 VanDerWaalsContact OD1-CZ 3.32Å; D819-R839 IonicContact OD1-NE 3.86Å; D819-R839 PolarHBondContact OD1-NE 3.12Å; D819-R839 IonicContact OD1-NH2 2.66Å; D819-R839 PolarHBondContact OD1-NH2 3.21Å; A822-R839 HydrophobicContact CB-CG 4.49Å; R839-S842 WeakPolarHBondContact O-CB 3.45Å; R839-S842 PolarHBondContact O-N 2.96Å; R839-K843 WeakPolarHBondContact O-CB 3.25Å; R839-K843 PolarHBondContact O-N 3.35Å |
| 840 | A | 70.7 | Confident | 75.5 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y20 S838 R844 | Y20-A840 PolarHBondContact OH-O 2.83Å; S838-A840 PolarHBondContact O-N 3.23Å; A840-R844 PolarHBondContact O-N 3.41Å |
| 841 | Q | 72.4 | Confident | 75.1 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 43% | 0.425 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 172.5 | -74.3 | 166 | -40.8 | 0 | 0 | 111.4 | V837 S838 R844 I845 | V837-Q841 HydrophobicContact CB-CB 3.91Å; V837-Q841 HydrophobicContact CG2-CB 4.41Å; S838-Q841 CarbonylContact O-C 3.44Å; S838-Q841 WeakPolarHBondContact O-CB 3.14Å; S838-Q841 PolarHBondContact O-N 3Å; S838-Q841 WeakPolarHBondContact OG-CB 3.39Å; S838-Q841 VanDerWaalsContact OG-CG 3.3Å; S838-Q841 WeakPolarHBondContact OG-CG 3.24Å; S838-Q841 PolarHBondContact OG-N 3.26Å; S838-Q841 PolarHBondContact OG-OE1 2.72Å; Q841-R844 WeakPolarHBondContact O-CB 3.14Å; Q841-R844 PolarHBondContact O-N 3.31Å; Q841-I845 WeakPolarHBondContact O-CG1 3.46Å; Q841-I845 PolarHBondContact O-N 2.85Å |
| 842 | S | 80.1 | Confident | 74.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 173 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | V837 S838 R839 R844 I845 V846 | V837-S842 WeakPolarHBondContact CG2-OG 3.07Å; S838-S842 PolarHBondContact O-N 3.14Å; S838-S842 PolarHBondContact O-OG 3.01Å; R839-S842 WeakPolarHBondContact O-CB 3.45Å; R839-S842 PolarHBondContact O-N 2.96Å; S842-R844 VanDerWaalsContact C-N 3.28Å; S842-R844 PolarHBondContact O-N 2.89Å; S842-I845 PolarHBondContact O-N 2.88Å; S842-V846 WeakPolarHBondContact O-CB 3.46Å; S842-V846 WeakPolarHBondContact O-CG2 3.3Å; S842-V846 PolarHBondContact O-N 3.3Å |
| 843 | K | 79.3 | Confident | 75.2 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56 | -42.8 | 175.7 | -173.3 | 166.3 | 171.9 | 158.1 | 0 | 111.1 | K810 D813 V818 R839 G847 I849 | K810-K843 WeakPolarHBondContact O-CE 3.43Å; K810-K843 PolarHBondContact O-NZ 3.18Å; K810-K843 VanDerWaalsContact O-NZ 3.12Å; D813-K843 IonicContact OD1-NZ 3.52Å; D813-K843 PolarHBondContact OD1-NZ 3.2Å; D813-K843 IonicContact OD2-NZ 3.67Å; D813-K843 PolarHBondContact OD2-NZ 3.4Å; V818-K843 HydrophobicContact CG1-CB 3.87Å; V818-K843 HydrophobicContact CG1-CD 4.44Å; V818-K843 HydrophobicContact CG1-CG 4.29Å; V818-K843 HydrophobicContact CG2-CD 4.36Å; V818-K843 HydrophobicContact CG2-CG 4.21Å; R839-K843 WeakPolarHBondContact O-CB 3.25Å; R839-K843 PolarHBondContact O-N 3.35Å; K843-G847 VanDerWaalsContact O-CA 3.32Å; K843-G847 WeakPolarHBondContact O-CA 3.47Å; K843-G847 PolarHBondContact O-N 3.39Å; K843-I849 HydrophobicContact CG-CD1 3.83Å; K843-I849 WeakPolarHBondContact O-CD1 3.49Å |
| 844 | R | 71.3 | Confident | 76.1 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.5 | -54.6 | 176.8 | -172.9 | -175.7 | 171.9 | -174.6 | -9.8 | 112.9 | Y20 E175 A840 Q841 S842 Q848 I849 | Y20-R844 HydrophobicContact CD1-CB 4.25Å; Y20-R844 HydrophobicContact CD1-CG 4.11Å; Y20-R844 HydrophobicContact CD2-CG 4.5Å; Y20-R844 HydrophobicContact CE1-CB 3.64Å; Y20-R844 HydrophobicContact CE1-CG 4Å; Y20-R844 HydrophobicContact CE2-CB 4.34Å; Y20-R844 HydrophobicContact CE2-CG 4.42Å; Y20-R844 HydrophobicContact CG-CG 4.35Å; E175-R844 IonicContact OE1-CZ 3.73Å; E175-R844 VanDerWaalsContact OE1-CZ 3.31Å; E175-R844 IonicContact OE1-NH1 3.97Å; E175-R844 PolarHBondContact OE1-NH1 2.89Å; E175-R844 IonicContact OE1-NH2 3.88Å; E175-R844 PolarHBondContact OE1-NH2 3.18Å; A840-R844 PolarHBondContact O-N 3.41Å; Q841-R844 WeakPolarHBondContact O-CB 3.14Å; Q841-R844 PolarHBondContact O-N 3.31Å; S842-R844 VanDerWaalsContact C-N 3.28Å; S842-R844 PolarHBondContact O-N 2.89Å; R844-Q848 WeakPolarHBondContact O-CA 3.25Å; R844-Q848 PolarHBondContact O-N 3.46Å; R844-Q848 VanDerWaalsContact O-N 3.15Å; R844-I849 HydrophobicContact CG-CB 4.32Å; R844-I849 PolarHBondContact O-N 2.85Å |
| 845 | I | 69.6 | Low | 76.9 | Confident | 62 Ų | 62 | 44 Ų | 44 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.6 | -48.8 | -173.6 | -66.1 | 164.8 | 0 | 0 | 0 | 110 | E609 L612 Q841 S842 Q848 | E609-I845 HydrophobicContact CG-CG2 4.36Å; L612-I845 HydrophobicContact CB-CG2 4.42Å; L612-I845 HydrophobicContact CD1-CB 3.81Å; L612-I845 HydrophobicContact CD1-CD1 3.6Å; L612-I845 HydrophobicContact CD1-CG1 4.31Å; L612-I845 HydrophobicContact CD1-CG2 3.69Å; Q841-I845 WeakPolarHBondContact O-CG1 3.46Å; Q841-I845 PolarHBondContact O-N 2.85Å; S842-I845 PolarHBondContact O-N 2.88Å; I845-Q848 PolarHBondContact O-N 2.82Å |
| 846 | V | 70.3 | Confident | 78.1 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.8 | -40.1 | -176.8 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | L612 R616 F808 V821 S842 Q848 | L612-V846 HydrophobicContact CB-CG2 3.89Å; L612-V846 HydrophobicContact CD2-CG2 3.64Å; L612-V846 HydrophobicContact CG-CG2 4.23Å; R616-V846 HydrophobicContact CB-CG1 4.22Å; R616-V846 HydrophobicContact CG-CG1 4.12Å; F808-V846 HydrophobicContact CE1-CG1 3.88Å; F808-V846 HydrophobicContact CE2-CG1 4.33Å; F808-V846 HydrophobicContact CZ-CG1 3.53Å; V821-V846 HydrophobicContact CG1-CB 4.34Å; V821-V846 HydrophobicContact CG1-CG1 3.96Å; V821-V846 HydrophobicContact CG1-CG2 3.52Å; S842-V846 WeakPolarHBondContact O-CB 3.46Å; S842-V846 WeakPolarHBondContact O-CG2 3.3Å; S842-V846 PolarHBondContact O-N 3.3Å; V846-Q848 PolarHBondContact O-N 3.3Å |
| 847 | G | 63.5 | Low | 79.2 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -0.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K843 I849 | K843-G847 VanDerWaalsContact O-CA 3.32Å; K843-G847 WeakPolarHBondContact O-CA 3.47Å; K843-G847 PolarHBondContact O-N 3.39Å; G847-I849 PolarHBondContact O-N 2.98Å; G847-I849 VanDerWaalsContact O-N 3.08Å |
| 848 | Q | 64.4 | Low | 80.3 | Confident | 160 Ų | 160 | 35.2 Ų | 35.2 | 75% | 0.748 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 41.1 | -170.8 | -63.2 | -179 | -7.9 | 0 | 0 | 111.5 | R844 I845 V846 I850 | R844-Q848 WeakPolarHBondContact O-CA 3.25Å; R844-Q848 PolarHBondContact O-N 3.46Å; R844-Q848 VanDerWaalsContact O-N 3.15Å; I845-Q848 PolarHBondContact O-N 2.82Å; V846-Q848 PolarHBondContact O-N 3.3Å; Q848-I850 PolarHBondContact O-N 2.95Å |
| 849 | I | 66.5 | Low | 81.4 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | trans | -69.5 | 111.5 | -171.8 | -66.6 | 171.3 | 0 | 0 | 0 | 108.3 | R17 Y20 K810 K843 R844 G847 P851 | R17-I849 VanDerWaalsContact NE-CG2 3.33Å; Y20-I849 HydrophobicContact CD2-CG2 3.72Å; Y20-I849 HydrophobicContact CE2-CB 4.21Å; Y20-I849 HydrophobicContact CE2-CD1 4.05Å; Y20-I849 HydrophobicContact CE2-CG2 3.61Å; K810-I849 HydrophobicContact CD-CG1 4.25Å; K843-I849 HydrophobicContact CG-CD1 3.83Å; K843-I849 WeakPolarHBondContact O-CD1 3.49Å; R844-I849 HydrophobicContact CG-CB 4.32Å; R844-I849 PolarHBondContact O-N 2.85Å; G847-I849 PolarHBondContact O-N 2.98Å; G847-I849 VanDerWaalsContact O-N 3.08Å; I849-P851 VanDerWaalsContact O-CD 3.27Å; I849-P851 WeakPolarHBondContact O-CD 3.23Å | ||
| 850 | I | 74.1 | Confident | 82.2 | Confident | 79 Ų | 79 | 28.4 Ų | 28.4 | 41% | 0.405 | 15% | 0.149 | S | C | . | . | trans | -75.1 | 117.3 | 173.9 | -56.9 | -180 | 0 | 0 | 0 | 108 | L565 Q848 A852 | L565-I850 HydrophobicContact CD1-CG2 3.7Å; Q848-I850 PolarHBondContact O-N 2.95Å; I850-A852 PolarHBondContact O-N 2.89Å | ||
| 851 | P | 80.6 | Confident | 83.6 | Confident | 13 Ų | 13 | 26 Ų | 26 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | trans | -56.1 | 137.9 | 171.8 | -23.2 | 33.4 | 0 | 0 | 0 | 110.5 | V21 G566 I849 | V21-P851 HydrophobicContact CG2-CB 3.67Å; G566-P851 PolarHBondContact N-O 2.9Å; I849-P851 VanDerWaalsContact O-CD 3.27Å; I849-P851 WeakPolarHBondContact O-CD 3.23Å | ||
| 852 | A | 84.9 | Confident | 84.8 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 7% | 0.074 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -152.1 | 145.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R17 Q18 I850 | R17-A852 CarbonylContact C-O 3.6Å; R17-A852 HydrophobicContact CB-CB 4.21Å; R17-A852 PolarHBondContact O-N 2.97Å; Q18-A852 PolarHBondContact N-O 3.4Å; I850-A852 PolarHBondContact O-N 2.89Å |
| 853 | I | 93.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | trans | -141.5 | 146.5 | -179.1 | -163.6 | 173 | 0 | 0 | 0 | 110 | V21 L22 M54 L373 G566 T855 T856 T857 | V21-I853 HydrophobicContact CG1-CD1 4.45Å; V21-I853 HydrophobicContact CG2-CB 4.49Å; L22-I853 HydrophobicContact CD1-CD1 4.15Å; L22-I853 HydrophobicContact CD2-CD1 4.35Å; L22-I853 HydrophobicContact CG-CD1 4.32Å; M54-I853 HydrophobicContact CE-CG1 4.28Å; M54-I853 HydrophobicContact SD-CD1 3.79Å; M54-I853 HydrophobicContact SD-CG1 3.25Å; M54-I853 WeakPolarHBondContact SD-CG1 3.35Å; L373-I853 HydrophobicContact CD1-CD1 4.07Å; G566-I853 WeakPolarHBondContact O-CG2 3.49Å; I853-T855 VanDerWaalsContact C-N 3.31Å; I853-T855 WeakPolarHBondContact CG2-OG1 3.33Å; I853-T855 PolarHBondContact O-N 3.49Å; I853-T856 WeakPolarHBondContact CG2-OG1 3.33Å; I853-T857 PolarHBondContact O-N 2.75Å; I853-T857 PolarHBondContact O-OG1 3.32Å | ||
| 854 | A | 96.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.3 | -33.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L53 M54 R479 T857 A858 | L53-A854 HydrophobicContact CB-CB 4.42Å; L53-A854 HydrophobicContact CD1-CB 4.06Å; M54-A854 HydrophobicContact CE-CB 3.51Å; M54-A854 HydrophobicContact SD-CB 4.45Å; R479-A854 HydrophobicContact CB-CB 4.21Å; A854-T857 WeakPolarHBondContact O-CB 3.07Å; A854-T857 PolarHBondContact O-N 3.04Å; A854-A858 WeakPolarHBondContact O-CB 3.44Å; A854-A858 PolarHBondContact O-N 3.29Å |
| 855 | T | 98.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.2 | -59 | 178.6 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | N50 A366 A369 Q370 L373 I853 T857 A858 A859 | N50-T855 HydrophobicContact CB-CG2 4.2Å; A366-T855 VanDerWaalsContact CB-O 3.26Å; A366-T855 WeakPolarHBondContact CB-O 3.42Å; A369-T855 HydrophobicContact CB-CG2 3.99Å; Q370-T855 HydrophobicContact CB-CG2 4.1Å; Q370-T855 PolarHBondContact OE1-OG1 2.85Å; L373-T855 HydrophobicContact CD1-CG2 4.12Å; I853-T855 VanDerWaalsContact C-N 3.31Å; I853-T855 WeakPolarHBondContact CG2-OG1 3.33Å; I853-T855 PolarHBondContact O-N 3.49Å; T855-T857 PolarHBondContact O-N 3.35Å; T855-A858 PolarHBondContact O-N 3.01Å; T855-A859 WeakPolarHBondContact O-CB 3.4Å; T855-A859 PolarHBondContact O-N 2.95Å |
| 856 | T | 98.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -54.7 | -40 | 176.9 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | T564 G566 T567 R568 I853 A859 V860 L886 | T564-T856 HydrophobicContact CG2-CG2 4.02Å; G566-T856 WeakPolarHBondContact O-CB 3.29Å; G566-T856 PolarHBondContact O-OG1 2.93Å; T567-T856 WeakPolarHBondContact CA-OG1 3.27Å; R568-T856 VanDerWaalsContact C-CG2 3.47Å; R568-T856 VanDerWaalsContact O-CG2 3.23Å; R568-T856 WeakPolarHBondContact O-CG2 3.4Å; I853-T856 WeakPolarHBondContact CG2-OG1 3.33Å; T856-A859 PolarHBondContact O-N 3.25Å; T856-V860 WeakPolarHBondContact O-CG2 3.48Å; T856-V860 PolarHBondContact O-N 3.42Å; T856-L886 HydrophobicContact CG2-CD1 3.83Å |
| 857 | T | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.1 | -50.4 | -179.4 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | A442 I443 E446 I853 A854 T855 A859 V860 A861 | A442-T857 HydrophobicContact CB-CG2 3.72Å; A442-T857 WeakPolarHBondContact O-CG2 3.45Å; I443-T857 HydrophobicContact CB-CG2 4.34Å; I443-T857 HydrophobicContact CG1-CG2 3.87Å; E446-T857 HydrophobicContact CB-CG2 4.49Å; E446-T857 HydrophobicContact CG-CG2 3.83Å; I853-T857 PolarHBondContact O-N 2.75Å; I853-T857 PolarHBondContact O-OG1 3.32Å; A854-T857 WeakPolarHBondContact O-CB 3.07Å; A854-T857 PolarHBondContact O-N 3.04Å; T855-T857 PolarHBondContact O-N 3.35Å; T857-A859 VanDerWaalsContact C-N 3.33Å; T857-A859 PolarHBondContact O-N 2.6Å; T857-V860 PolarHBondContact O-N 3.09Å; T857-A861 PolarHBondContact O-N 2.82Å |
| 858 | A | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E46 A366 E446 A854 T855 A861 G862 | E46-A858 WeakPolarHBondContact OE1-CB 3.3Å; A366-A858 HydrophobicContact CB-CB 3.78Å; E446-A858 HydrophobicContact CG-CB 4.29Å; A854-A858 WeakPolarHBondContact O-CB 3.44Å; A854-A858 PolarHBondContact O-N 3.29Å; T855-A858 PolarHBondContact O-N 3.01Å; A858-A861 PolarHBondContact O-N 2.92Å; A858-G862 PolarHBondContact O-N 3.43Å |
| 859 | A | 98.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.008 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A366 T855 T856 T857 G862 L863 L886 | A366-A859 HydrophobicContact CB-CB 3.92Å; T855-A859 WeakPolarHBondContact O-CB 3.4Å; T855-A859 PolarHBondContact O-N 2.95Å; T856-A859 PolarHBondContact O-N 3.25Å; T857-A859 VanDerWaalsContact C-N 3.33Å; T857-A859 PolarHBondContact O-N 2.6Å; A859-G862 PolarHBondContact O-N 3.34Å; A859-L863 WeakPolarHBondContact O-CG 3.48Å; A859-L863 PolarHBondContact O-N 3.41Å; A859-L886 HydrophobicContact CB-CD2 3.87Å |
| 860 | V | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 177.1 | 168.3 | 0 | 0 | 0 | 0 | 111.7 | A562 T564 S570 A571 T856 T857 G862 L863 L864 L886 | A562-V860 HydrophobicContact CB-CG1 3.45Å; A562-V860 VanDerWaalsContact CB-CG1 3.45Å; T564-V860 HydrophobicContact CG2-CB 4.41Å; T564-V860 HydrophobicContact CG2-CG2 4.05Å; S570-V860 VanDerWaalsContact O-CG1 3.32Å; S570-V860 WeakPolarHBondContact O-CG1 3.39Å; A571-V860 HydrophobicContact CB-CG1 4.26Å; T856-V860 WeakPolarHBondContact O-CG2 3.48Å; T856-V860 PolarHBondContact O-N 3.42Å; T857-V860 PolarHBondContact O-N 3.09Å; V860-G862 VanDerWaalsContact C-N 3.34Å; V860-G862 PolarHBondContact O-N 2.93Å; V860-L863 PolarHBondContact O-N 2.77Å; V860-L864 PolarHBondContact O-N 3.08Å; V860-L886 HydrophobicContact CG2-CD2 3.96Å; V860-L886 HydrophobicContact CG2-CG 4.46Å |
| 861 | A | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E446 L447 T857 A858 L864 G865 | E446-A861 HydrophobicContact CB-CB 3.42Å; E446-A861 VanDerWaalsContact CB-CB 3.42Å; L447-A861 HydrophobicContact CD2-CB 4.08Å; L447-A861 HydrophobicContact CG-CB 4.26Å; T857-A861 PolarHBondContact O-N 2.82Å; A858-A861 PolarHBondContact O-N 2.92Å; A861-L864 PolarHBondContact O-N 2.92Å; A861-G865 PolarHBondContact O-N 2.97Å |
| 862 | G | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P359 A858 A859 V860 L864 G865 L866 | P359-G862 WeakPolarHBondContact CB-O 3.32Å; P359-G862 VanDerWaalsContact O-CA 3.26Å; P359-G862 WeakPolarHBondContact O-CA 3.35Å; A858-G862 PolarHBondContact O-N 3.43Å; A859-G862 PolarHBondContact O-N 3.34Å; V860-G862 VanDerWaalsContact C-N 3.34Å; V860-G862 PolarHBondContact O-N 2.93Å; G862-L864 PolarHBondContact O-N 3.31Å; G862-G865 PolarHBondContact O-N 3.45Å; G862-G865 VanDerWaalsContact O-N 3.16Å; G862-L866 PolarHBondContact O-N 2.71Å; G862-L866 VanDerWaalsContact O-N 3.15Å |
| 863 | L | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 2.6 Ų | 2.6 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 176.4 | -68.9 | 167.8 | 0 | 0 | 0 | 112.8 | M363 F389 A571 A859 V860 G865 L866 E867 L886 L893 | M363-L863 HydrophobicContact CG-CD2 4.14Å; M363-L863 HydrophobicContact CG-CG 4.2Å; F389-L863 HydrophobicContact CE2-CD2 4.17Å; F389-L863 HydrophobicContact CZ-CD2 3.82Å; A571-L863 HydrophobicContact CB-CB 3.67Å; A571-L863 HydrophobicContact CB-CD1 4.48Å; A859-L863 WeakPolarHBondContact O-CG 3.48Å; A859-L863 PolarHBondContact O-N 3.41Å; V860-L863 PolarHBondContact O-N 2.77Å; L863-G865 VanDerWaalsContact C-N 3.35Å; L863-L866 HydrophobicContact CD2-CD1 4.43Å; L863-L866 WeakPolarHBondContact O-CB 3.3Å; L863-L866 PolarHBondContact O-N 3.29Å; L863-E867 PolarHBondContact O-N 2.92Å; L863-L886 HydrophobicContact CD1-CD2 3.64Å; L863-L893 HydrophobicContact CD1-CD1 4.39Å |
| 864 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66.6 | -35.5 | 173.5 | -81.1 | -169.8 | 0 | 0 | 0 | 112.9 | L447 L560 A562 A571 K572 V860 A861 G862 L866 E867 L868 | L447-L864 HydrophobicContact CD1-CD1 4.22Å; L447-L864 HydrophobicContact CD2-CB 3.97Å; L447-L864 HydrophobicContact CD2-CD1 4.14Å; L560-L864 HydrophobicContact CB-CD1 4.25Å; L560-L864 HydrophobicContact CB-CD2 4.01Å; L560-L864 HydrophobicContact CD2-CD2 4.32Å; A562-L864 HydrophobicContact CB-CD1 3.45Å; A562-L864 VanDerWaalsContact CB-CD1 3.45Å; A562-L864 HydrophobicContact CB-CG 4.29Å; A571-L864 HydrophobicContact CB-CD2 3.86Å; A571-L864 HydrophobicContact CB-CG 3.88Å; K572-L864 WeakPolarHBondContact O-CD2 3.4Å; V860-L864 PolarHBondContact O-N 3.08Å; A861-L864 PolarHBondContact O-N 2.92Å; G862-L864 PolarHBondContact O-N 3.31Å; L864-L866 PolarHBondContact O-N 3.49Å; L864-E867 PolarHBondContact O-N 2.98Å; L864-L868 PolarHBondContact O-N 3.39Å |
| 865 | G | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.1 | -30.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A861 G862 L863 L868 | A861-G865 PolarHBondContact O-N 2.97Å; G862-G865 PolarHBondContact O-N 3.45Å; G862-G865 VanDerWaalsContact O-N 3.16Å; L863-G865 VanDerWaalsContact C-N 3.35Å; G865-L868 WeakPolarHBondContact O-CB 3.42Å |
| 866 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.5 | -43.2 | 173.1 | -64 | 168.5 | 0 | 0 | 0 | 111.7 | L154 P359 M360 F389 A391 G862 L863 L864 L868 Y869 | L154-L866 HydrophobicContact CD2-CD2 4.46Å; P359-L866 HydrophobicContact CB-CD2 3.88Å; P359-L866 HydrophobicContact CB-CG 3.92Å; M360-L866 HydrophobicContact CG-CD2 4.06Å; M360-L866 HydrophobicContact SD-CD1 4.17Å; M360-L866 HydrophobicContact SD-CD2 3.93Å; F389-L866 HydrophobicContact CE1-CD1 3.76Å; F389-L866 HydrophobicContact CZ-CD1 3.84Å; A391-L866 HydrophobicContact CB-CD1 3.71Å; A391-L866 HydrophobicContact CB-CD2 3.72Å; A391-L866 HydrophobicContact CB-CG 4.2Å; G862-L866 PolarHBondContact O-N 2.71Å; G862-L866 VanDerWaalsContact O-N 3.15Å; L863-L866 HydrophobicContact CD2-CD1 4.43Å; L863-L866 WeakPolarHBondContact O-CB 3.3Å; L863-L866 PolarHBondContact O-N 3.29Å; L864-L866 PolarHBondContact O-N 3.49Å; L866-L868 VanDerWaalsContact C-N 3.28Å; L866-L868 PolarHBondContact O-N 3.48Å; L866-Y869 HydrophobicContact CD2-CD2 4.49Å; L866-Y869 HydrophobicContact CD2-CE2 4.49Å; L866-Y869 PolarHBondContact O-N 3.29Å |
| 867 | E | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.4 | -31.2 | 175.6 | -59.7 | -54.5 | 129.5 | 0 | 0 | 112 | L560 V573 L863 L864 Y869 K870 V871 F881 R882 R895 | L560-E867 HydrophobicContact CD2-CB 3.96Å; V573-E867 HydrophobicContact CB-CB 4.21Å; V573-E867 HydrophobicContact CB-CG 4.38Å; V573-E867 HydrophobicContact CG1-CB 4.41Å; V573-E867 HydrophobicContact CG1-CG 4.18Å; L863-E867 PolarHBondContact O-N 2.92Å; L864-E867 PolarHBondContact O-N 2.98Å; E867-Y869 VanDerWaalsContact C-N 3.3Å; E867-Y869 PolarHBondContact O-N 3.46Å; E867-K870 VanDerWaalsContact CD-NZ 3.25Å; E867-K870 WeakPolarHBondContact O-CB 3.45Å; E867-K870 PolarHBondContact O-N 3.1Å; E867-K870 VanDerWaalsContact O-N 3.12Å; E867-K870 IonicContact OE1-NZ 3.18Å; E867-K870 PolarHBondContact OE1-NZ 3.12Å; E867-K870 IonicContact OE2-NZ 3.71Å; E867-K870 PolarHBondContact OE2-NZ 2.93Å; E867-K870 VanDerWaalsContact OE2-NZ 3.07Å; E867-V871 WeakPolarHBondContact O-CG2 3.46Å; E867-V871 PolarHBondContact O-N 3.29Å; E867-F881 WeakPolarHBondContact OE2-CA 3.19Å; E867-R882 PolarHBondContact OE2-N 3.28Å; E867-R895 IonicContact OE1-NH2 3.96Å |
| 868 | L | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.1 | -43.4 | 172.6 | 174.6 | 68.7 | 0 | 0 | 0 | 111.9 | Y435 F451 V454 L456 L560 L864 G865 L866 K870 V871 V872 | Y435-L868 HydrophobicContact CD1-CD1 4.36Å; Y435-L868 HydrophobicContact CE1-CD1 3.56Å; Y435-L868 HydrophobicContact CE2-CD1 4.27Å; Y435-L868 WeakPolarHBondContact OH-CD1 3.33Å; F451-L868 HydrophobicContact CD1-CD2 3.86Å; F451-L868 HydrophobicContact CE1-CD2 3.81Å; V454-L868 HydrophobicContact CG2-CD2 4.25Å; L456-L868 HydrophobicContact CD1-CD1 4.22Å; L456-L868 HydrophobicContact CD1-CD2 4.33Å; L456-L868 HydrophobicContact CD2-CD1 4.19Å; L456-L868 HydrophobicContact CD2-CD2 3.97Å; L560-L868 HydrophobicContact CD1-CB 3.94Å; L560-L868 HydrophobicContact CD1-CD1 4.12Å; L864-L868 PolarHBondContact O-N 3.39Å; G865-L868 WeakPolarHBondContact O-CB 3.42Å; L866-L868 VanDerWaalsContact C-N 3.28Å; L866-L868 PolarHBondContact O-N 3.48Å; L868-K870 PolarHBondContact O-N 3.32Å; L868-V871 PolarHBondContact O-N 2.84Å; L868-V872 HydrophobicContact CD1-CG2 3.91Å; L868-V872 HydrophobicContact CG-CG2 4.43Å; L868-V872 WeakPolarHBondContact O-CG2 3.25Å; L868-V872 PolarHBondContact O-N 3.16Å |
| 869 | Y | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 179 | -67.9 | -43.8 | 0 | 0 | 0 | 112.2 | L357 P359 Q418 F422 F426 L430 V454 L866 E867 G873 | L357-Y869 HydrophobicContact CD1-CE2 4.44Å; P359-Y869 HydrophobicContact CB-CE2 4.47Å; P359-Y869 WeakPolarHBondContact CD-OH 3.49Å; P359-Y869 HydrophobicContact CG-CE2 3.75Å; Q418-Y869 PolarHBondContact OE1-OH 2.88Å; F422-Y869 HydrophobicContact CE2-CD1 4.19Å; F422-Y869 AromaticContact CE2-CD2 3.81Å; F422-Y869 HydrophobicContact CE2-CD2 3.81Å; F422-Y869 HydrophobicContact CE2-CE1 4.11Å; F422-Y869 AromaticContact CE2-CE2 3.71Å; F422-Y869 HydrophobicContact CE2-CE2 3.71Å; F422-Y869 HydrophobicContact CE2-CG 4.05Å; F422-Y869 AromaticContact CE2-CZ 3.86Å; F422-Y869 AromaticContact CZ-CD2 3.68Å; F422-Y869 HydrophobicContact CZ-CD2 3.68Å; F422-Y869 HydrophobicContact CZ-CE2 4.01Å; F422-Y869 AromaticContact CZ-CG 3.96Å; F422-Y869 HydrophobicContact CZ-CG 3.96Å; F426-Y869 AromaticContact CE1-CD1 3.63Å; F426-Y869 HydrophobicContact CE1-CD1 3.63Å; F426-Y869 HydrophobicContact CE1-CE1 4.24Å; F426-Y869 HydrophobicContact CE1-CG 4.33Å; F426-Y869 AromaticContact CZ-CD1 3.87Å; F426-Y869 HydrophobicContact CZ-CD1 3.87Å; F426-Y869 HydrophobicContact CZ-CG 4.38Å; F426-Y869 WeakPolarHBondContact CZ-O 3.28Å; L430-Y869 HydrophobicContact CD1-CD1 4.19Å; L430-Y869 HydrophobicContact CD1-CE1 4.05Å; V454-Y869 HydrophobicContact CB-CE1 4.33Å; V454-Y869 HydrophobicContact CG1-CE1 4.14Å; V454-Y869 WeakPolarHBondContact CG1-OH 3.45Å; L866-Y869 HydrophobicContact CD2-CD2 4.49Å; L866-Y869 HydrophobicContact CD2-CE2 4.49Å; L866-Y869 PolarHBondContact O-N 3.29Å; E867-Y869 VanDerWaalsContact C-N 3.3Å; E867-Y869 PolarHBondContact O-N 3.46Å; Y869-G873 PolarHBondContact O-N 3.43Å |
| 870 | K | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.7 | -41.1 | 179.4 | -54.9 | 174 | -167.3 | 172.5 | 0 | 111.8 | D393 E867 L868 V872 G873 A880 F881 | D393-K870 WeakPolarHBondContact O-CE 3.45Å; D393-K870 WeakPolarHBondContact OD2-CE 3.32Å; D393-K870 IonicContact OD2-NZ 2.71Å; D393-K870 PolarHBondContact OD2-NZ 3.28Å; E867-K870 VanDerWaalsContact CD-NZ 3.25Å; E867-K870 WeakPolarHBondContact O-CB 3.45Å; E867-K870 PolarHBondContact O-N 3.1Å; E867-K870 VanDerWaalsContact O-N 3.12Å; E867-K870 IonicContact OE1-NZ 3.18Å; E867-K870 PolarHBondContact OE1-NZ 3.12Å; E867-K870 IonicContact OE2-NZ 3.71Å; E867-K870 PolarHBondContact OE2-NZ 2.93Å; E867-K870 VanDerWaalsContact OE2-NZ 3.07Å; L868-K870 PolarHBondContact O-N 3.32Å; K870-V872 VanDerWaalsContact C-N 3.35Å; K870-G873 PolarHBondContact O-N 3.48Å; K870-A880 WeakPolarHBondContact CD-O 3.31Å; K870-A880 WeakPolarHBondContact CE-O 3.37Å; K870-A880 PolarHBondContact NZ-O 3.23Å; K870-F881 HydrophobicContact CB-CD1 4.15Å; K870-F881 HydrophobicContact CB-CE1 3.74Å; K870-F881 HydrophobicContact CB-CZ 4.47Å; K870-F881 HydrophobicContact CD-CD1 4.23Å |
| 871 | V | 95.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 20.7 Ų | 20.7 | 12% | 0.115 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | Y435 P558 L560 V573 E867 L868 F881 | Y435-V871 VanDerWaalsContact OH-CG1 3.26Å; Y435-V871 WeakPolarHBondContact OH-CG1 3.45Å; P558-V871 HydrophobicContact CB-CG1 3.61Å; P558-V871 HydrophobicContact CG-CG1 3.74Å; L560-V871 HydrophobicContact CD2-CG2 4.27Å; V573-V871 HydrophobicContact CG2-CG2 3.94Å; E867-V871 WeakPolarHBondContact O-CG2 3.46Å; E867-V871 PolarHBondContact O-N 3.29Å; L868-V871 PolarHBondContact O-N 2.84Å; V871-F881 HydrophobicContact CG2-CE1 4Å |
| 872 | V | 93.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -78.3 | -24.3 | -179.9 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | F426 K429 L430 Q433 Y435 L456 L868 K870 G874 | F426-V872 HydrophobicContact CE2-CG1 4.35Å; K429-V872 HydrophobicContact CB-CG1 4.34Å; L430-V872 HydrophobicContact CD2-CB 4.01Å; L430-V872 HydrophobicContact CD2-CG1 3.83Å; L430-V872 HydrophobicContact CD2-CG2 3.99Å; L430-V872 HydrophobicContact CG-CG1 4.08Å; Q433-V872 HydrophobicContact CG-CG1 3.9Å; Q433-V872 HydrophobicContact CG-CG2 3.91Å; Y435-V872 HydrophobicContact CE2-CG2 4.33Å; L456-V872 HydrophobicContact CD1-CG2 4.45Å; L868-V872 HydrophobicContact CD1-CG2 3.91Å; L868-V872 HydrophobicContact CG-CG2 4.43Å; L868-V872 WeakPolarHBondContact O-CG2 3.25Å; L868-V872 PolarHBondContact O-N 3.16Å; K870-V872 VanDerWaalsContact C-N 3.35Å; V872-G874 PolarHBondContact O-N 2.94Å; V872-G874 VanDerWaalsContact O-N 3.1Å |
| 873 | G | 84.8 | Confident | 94.1 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 18% | 0.175 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.1 | -22.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y869 K870 | Y869-G873 PolarHBondContact O-N 3.43Å; K870-G873 PolarHBondContact O-N 3.48Å |
| 874 | G | 81.2 | Confident | 94 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 31% | 0.309 | 14% | 0.14 | S | C | . | . | trans | 120.6 | -170.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V872 R876 | V872-G874 PolarHBondContact O-N 2.94Å; V872-G874 VanDerWaalsContact O-N 3.1Å; G874-R876 PolarHBondContact O-N 3.08Å | ||
| 875 | P | 86.6 | Confident | 93.9 | Very high | 132 Ų | 132 | 27.1 Ų | 27.1 | 86% | 0.857 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -57.9 | 121.5 | 174.2 | -22.5 | 33.9 | 0 | 0 | 0 | 110.6 | ||
| 876 | R | 89.3 | Confident | 93.8 | Very high | 24 Ų | 24 | 27.4 Ų | 27.4 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | trans | -123.8 | 148.4 | 176.6 | -65.7 | -62.3 | -170.5 | 114.5 | 3.4 | 109.6 | L395 P396 E400 G874 A880 F881 | L395-R876 PolarHBondContact O-NH1 2.87Å; P396-R876 VanDerWaalsContact CA-NH1 3.33Å; E400-R876 IonicContact OE2-CZ 2.94Å; E400-R876 IonicContact OE2-NE 3.44Å; G874-R876 PolarHBondContact O-N 3.08Å; R876-A880 HydrophobicContact CB-CB 3.99Å; R876-F881 HydrophobicContact CB-CE2 3.83Å; R876-F881 HydrophobicContact CB-CZ 3.95Å | ||
| 877 | P | 91.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 27.7 Ų | 27.7 | 36% | 0.357 | 16% | 0.158 | S | C | . | . | trans | -69.9 | 162.6 | 172 | 30.8 | -33.8 | 0 | 0 | 0 | 110.7 | E397 S879 A880 | E397-P877 WeakPolarHBondContact OE1-CG 3.45Å; E397-P877 WeakPolarHBondContact OE2-CG 3.43Å; P877-S879 WeakPolarHBondContact CG-OG 3.48Å; P877-S879 PolarHBondContact O-N 3.21Å; P877-S879 VanDerWaalsContact O-N 3.11Å; P877-A880 WeakPolarHBondContact O-CB 3.5Å; P877-A880 PolarHBondContact O-N 3.29Å | ||
| 878 | R | 93.8 | Very high | 93.5 | Very high | 81 Ų | 81 | 28.2 Ų | 28.2 | 31% | 0.306 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -56 | -30.8 | -179.8 | -170.6 | 175 | 63.9 | 113.8 | -3.9 | 112.9 | V578 A880 F881 M897 P898 | V578-R878 HydrophobicContact CG1-CB 3.94Å; R878-A880 PolarHBondContact O-N 3.46Å; R878-F881 PolarHBondContact O-N 3.23Å; R878-M897 HydrophobicContact CG-CG 4Å; R878-M897 HydrophobicContact CG-SD 4.16Å; R878-M897 WeakPolarHBondContact O-CG 3.27Å; R878-P898 VanDerWaalsContact CD-O 3.3Å; R878-P898 WeakPolarHBondContact CD-O 3.38Å; R878-P898 PolarHBondContact NH1-O 3Å |
| 879 | S | 92.8 | Very high | 93.3 | Very high | 54 Ų | 54 | 28.2 Ų | 28.2 | 38% | 0.378 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -62.8 | -18 | 177.7 | 44.8 | 0 | 0 | 0 | 0 | 114.6 | E397 P877 R882 | E397-S879 PolarHBondContact OE1-OG 3.16Å; E397-S879 VanDerWaalsContact OE1-OG 3.06Å; P877-S879 WeakPolarHBondContact CG-OG 3.48Å; P877-S879 PolarHBondContact O-N 3.21Å; P877-S879 VanDerWaalsContact O-N 3.11Å; S879-R882 PolarHBondContact O-NH1 2.75Å; S879-R882 PolarHBondContact O-NH2 2.92Å |
| 880 | A | 92.6 | Very high | 93 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -79.9 | -33.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K870 R876 P877 R878 | K870-A880 WeakPolarHBondContact CD-O 3.31Å; K870-A880 WeakPolarHBondContact CE-O 3.37Å; K870-A880 PolarHBondContact NZ-O 3.23Å; R876-A880 HydrophobicContact CB-CB 3.99Å; P877-A880 WeakPolarHBondContact O-CB 3.5Å; P877-A880 PolarHBondContact O-N 3.29Å; R878-A880 PolarHBondContact O-N 3.46Å |
| 881 | F | 96.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | trans | -81.3 | 151 | -172.5 | -63.1 | -75.7 | 0 | 0 | 0 | 112.7 | V573 M575 V578 E867 K870 V871 R876 R878 P898 | V573-F881 HydrophobicContact CG1-CB 3.83Å; V573-F881 HydrophobicContact CG1-CD1 3.91Å; V573-F881 HydrophobicContact CG1-CG 4.22Å; V573-F881 HydrophobicContact CG2-CD1 4Å; V573-F881 HydrophobicContact CG2-CE1 4.32Å; M575-F881 HydrophobicContact CB-CE2 4.48Å; M575-F881 HydrophobicContact CB-CZ 4.4Å; M575-F881 HydrophobicContact CG-CE2 4.35Å; M575-F881 HydrophobicContact CG-CZ 4.14Å; V578-F881 HydrophobicContact CG1-CD2 4.26Å; V578-F881 HydrophobicContact CG1-CE2 4.14Å; E867-F881 WeakPolarHBondContact OE2-CA 3.19Å; K870-F881 HydrophobicContact CB-CD1 4.15Å; K870-F881 HydrophobicContact CB-CE1 3.74Å; K870-F881 HydrophobicContact CB-CZ 4.47Å; K870-F881 HydrophobicContact CD-CD1 4.23Å; V871-F881 HydrophobicContact CG2-CE1 4Å; R876-F881 HydrophobicContact CB-CE2 3.83Å; R876-F881 HydrophobicContact CB-CZ 3.95Å; R878-F881 PolarHBondContact O-N 3.23Å; F881-P898 HydrophobicContact CB-CG 3.84Å; F881-P898 WeakPolarHBondContact O-CD 3.44Å | ||
| 882 | R | 96.9 | Very high | 92.8 | Very high | 57 Ų | 57 | 37 Ų | 37 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | trans | -131.3 | 134.3 | 174.8 | -62.1 | -70.3 | 179.7 | -85 | -4.7 | 111.4 | E867 S879 R895 Y896 | E867-R882 PolarHBondContact OE2-N 3.28Å; S879-R882 PolarHBondContact O-NH1 2.75Å; S879-R882 PolarHBondContact O-NH2 2.92Å; R882-R895 HydrophobicContact CB-CB 4.34Å; R882-R895 HydrophobicContact CG-CB 4.4Å; R882-Y896 CarbonylContact C-O 3.59Å; R882-Y896 WeakPolarHBondContact CA-O 3.46Å | ||
| 883 | H | 97.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.6 | 155.5 | -74.7 | -173.9 | 0 | 0 | 0 | 107.9 | K572 V573 F574 E580 R895 Y896 | K572-H883 HydrophobicContact CG-CB 4.28Å; V573-H883 PolarHBondContact N-CD2 2.71Å; V573-H883 PolarHBondContact O-NE2 3.39Å; F574-H883 AromaticContact CE1-CE1 3.93Å; E580-H883 IonicContact OE1-CE1 3.63Å; H883-R895 WeakPolarHBondContact O-CA 3.48Å; H883-Y896 HydrophobicContact CB-CD2 4.08Å; H883-Y896 HydrophobicContact CB-CE1 4.15Å; H883-Y896 HydrophobicContact CB-CE2 3.58Å; H883-Y896 PolarHBondContact N-O 3.44Å; H883-Y896 PolarHBondContact O-N 3.49Å |
| 884 | S | 97.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.9 | -176.9 | -50.2 | 0 | 0 | 0 | 0 | 110.2 | S570 A571 I894 | S570-S884 VanDerWaalsContact CA-O 3.3Å; S570-S884 WeakPolarHBondContact CA-O 3.45Å; A571-S884 PolarHBondContact N-O 3.26Å; A571-S884 PolarHBondContact O-N 3.11Å; S884-I894 WeakPolarHBondContact CA-O 3.27Å |
| 885 | Y | 96.5 | Very high | 93.9 | Very high | 77 Ų | 77 | 40.9 Ų | 40.9 | 30% | 0.302 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136.5 | 168.5 | 173.2 | -90.2 | 0 | 0 | 0 | 109 | R568 G569 H887 Y892 L893 I894 | R568-Y885 HydrophobicContact CB-CE2 4.45Å; R568-Y885 WeakPolarHBondContact CD-OH 3.43Å; R568-Y885 WeakPolarHBondContact CG-OH 3.45Å; G569-Y885 WeakPolarHBondContact O-CA 3.49Å; G569-Y885 WeakPolarHBondContact O-CD2 3.41Å; Y885-H887 HydrophobicContact CE1-CB 4.09Å; Y885-Y892 AromaticContact CD1-CD1 3.89Å; Y885-Y892 HydrophobicContact CD1-CD1 3.89Å; Y885-Y892 AromaticContact CD1-CE1 3.8Å; Y885-Y892 HydrophobicContact CD1-CE1 3.8Å; Y885-Y892 AromaticContact CE1-CD1 3.9Å; Y885-Y892 HydrophobicContact CE1-CD1 3.9Å; Y885-Y892 HydrophobicContact CE1-CE1 4.07Å; Y885-L893 WeakPolarHBondContact O-CA 3.48Å; Y885-I894 HydrophobicContact CD1-CG2 4.27Å; Y885-I894 PolarHBondContact N-O 3.22Å; Y885-I894 PolarHBondContact O-N 2.89Å |
| 886 | L | 95.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.6 | 177.4 | 63.8 | 90.8 | 0 | 0 | 0 | 111 | R568 G569 T856 A859 V860 L863 L888 Y892 L893 | R568-L886 CarbonylContact C-O 3.5Å; R568-L886 VanDerWaalsContact CA-O 3.29Å; R568-L886 WeakPolarHBondContact CA-O 3.43Å; G569-L886 PolarHBondContact N-O 2.85Å; G569-L886 PolarHBondContact O-N 3.26Å; T856-L886 HydrophobicContact CG2-CD1 3.83Å; A859-L886 HydrophobicContact CB-CD2 3.87Å; V860-L886 HydrophobicContact CG2-CD2 3.96Å; V860-L886 HydrophobicContact CG2-CG 4.46Å; L863-L886 HydrophobicContact CD1-CD2 3.64Å; L886-L888 HydrophobicContact CD1-CD1 4.35Å; L886-L888 HydrophobicContact CD1-CD2 3.82Å; L886-L888 HydrophobicContact CD1-CG 3.69Å; L886-Y892 CarbonylContact C-O 3.56Å; L886-Y892 VanDerWaalsContact CA-O 3.28Å; L886-Y892 WeakPolarHBondContact CA-O 3.29Å; L886-L893 HydrophobicContact CB-CD1 3.96Å |
| 887 | H | 95.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 94.5 | 170.8 | -173.2 | -177 | 0 | 0 | 0 | 108.3 | E173 T567 R568 Y885 A889 E890 N891 Y892 | E173-H887 IonicContact OE2-CD2 2.59Å; E173-H887 IonicContact OE2-CE1 2.71Å; E173-H887 IonicContact OE2-NE2 2.67Å; E173-H887 PolarHBondContact OE2-NE2 2.97Å; T567-H887 WeakPolarHBondContact O-CA 3.23Å; T567-H887 PolarHBondContact OG1-CD2 3.3Å; T567-H887 PolarHBondContact OG1-NE2 2.78Å; R568-H887 HydrophobicContact CG-CB 4.21Å; Y885-H887 HydrophobicContact CE1-CB 4.09Å; H887-A889 VanDerWaalsContact C-N 3.31Å; H887-A889 PolarHBondContact O-N 3.24Å; H887-E890 IonicContact CE1-OE1 3.55Å; H887-E890 PolarHBondContact CE1-OE1 3.18Å; H887-E890 IonicContact ND1-OE1 3.06Å; H887-E890 IonicContact ND1-OE2 2.67Å; H887-E890 PolarHBondContact O-N 3.32Å; H887-E890 VanDerWaalsContact O-N 3.14Å; H887-N891 PolarHBondContact O-N 3.42Å; H887-Y892 PolarHBondContact N-O 3.48Å; H887-Y892 PolarHBondContact O-N 3.06Å; H887-Y892 VanDerWaalsContact O-N 3.09Å |
| 888 | L | 96.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -69.1 | -27.7 | -169.7 | -54.6 | 179.9 | 0 | 0 | 0 | 113 | V367 Q370 K374 T567 L886 E890 N891 | V367-L888 HydrophobicContact CG2-CD2 3.98Å; Q370-L888 HydrophobicContact CB-CD1 4.12Å; Q370-L888 HydrophobicContact CG-CB 3.84Å; Q370-L888 HydrophobicContact CG-CD1 4.07Å; K374-L888 VanDerWaalsContact CE-O 3.23Å; K374-L888 WeakPolarHBondContact CE-O 3.15Å; K374-L888 PolarHBondContact NZ-O 2.86Å; T567-L888 PolarHBondContact O-N 3.1Å; L886-L888 HydrophobicContact CD1-CD1 4.35Å; L886-L888 HydrophobicContact CD1-CD2 3.82Å; L886-L888 HydrophobicContact CD1-CG 3.69Å; L888-E890 PolarHBondContact O-N 3.05Å; L888-N891 PolarHBondContact O-N 3.04Å |
| 889 | A | 92.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -64.2 | -25.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E173 F380 T567 H887 | E173-A889 HydrophobicContact CB-CB 3.94Å; F380-A889 HydrophobicContact CB-CB 3.96Å; F380-A889 HydrophobicContact CD1-CB 3.37Å; F380-A889 HydrophobicContact CD2-CB 4.05Å; F380-A889 HydrophobicContact CE1-CB 3.78Å; F380-A889 HydrophobicContact CE2-CB 4.39Å; F380-A889 HydrophobicContact CG-CB 3.51Å; F380-A889 HydrophobicContact CZ-CB 4.26Å; T567-A889 HydrophobicContact CG2-CB 4.13Å; T567-A889 WeakPolarHBondContact OG1-CB 3.39Å; T567-A889 PolarHBondContact OG1-N 3.02Å; H887-A889 VanDerWaalsContact C-N 3.31Å; H887-A889 PolarHBondContact O-N 3.24Å |
| 890 | E | 90.9 | Very high | 95 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 48% | 0.481 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -110.1 | 8.7 | -177.2 | -66 | -174.9 | -162.1 | 0 | 0 | 112.8 | H887 L888 Y892 | H887-E890 IonicContact CE1-OE1 3.55Å; H887-E890 PolarHBondContact CE1-OE1 3.18Å; H887-E890 IonicContact ND1-OE1 3.06Å; H887-E890 IonicContact ND1-OE2 2.67Å; H887-E890 PolarHBondContact O-N 3.32Å; H887-E890 VanDerWaalsContact O-N 3.14Å; L888-E890 PolarHBondContact O-N 3.05Å; E890-Y892 PolarHBondContact O-N 2.98Å |
| 891 | N | 93.2 | Very high | 95 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 16% | 0.16 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 32.8 | -174.9 | -54.8 | -48.7 | 0 | 0 | 0 | 113.1 | V277 E371 K374 M381 P382 L383 H887 L888 | V277-N891 HydrophobicContact CG1-CB 4.21Å; V277-N891 WeakPolarHBondContact CG1-O 3.38Å; E371-N891 PolarHBondContact OE1-OD1 3.34Å; K374-N891 PolarHBondContact NZ-OD1 3.21Å; M381-N891 PolarHBondContact O-ND2 3.21Å; M381-N891 VanDerWaalsContact O-ND2 3.11Å; P382-N891 VanDerWaalsContact C-ND2 3.28Å; P382-N891 PolarHBondContact O-ND2 3.42Å; L383-N891 HydrophobicContact CD1-CB 4.25Å; L383-N891 PolarHBondContact N-ND2 3.23Å; H887-N891 PolarHBondContact O-N 3.42Å; L888-N891 PolarHBondContact O-N 3.04Å |
| 892 | Y | 93.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 43.9 Ų | 43.9 | 29% | 0.286 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.5 | -174.5 | -175.1 | -96 | 0 | 0 | 0 | 110.3 | Q279 Y885 L886 H887 E890 I894 | Q279-Y892 HydrophobicContact CG-CD2 4.37Å; Q279-Y892 HydrophobicContact CG-CE2 3.98Å; Y885-Y892 AromaticContact CD1-CD1 3.89Å; Y885-Y892 HydrophobicContact CD1-CD1 3.89Å; Y885-Y892 AromaticContact CD1-CE1 3.8Å; Y885-Y892 HydrophobicContact CD1-CE1 3.8Å; Y885-Y892 AromaticContact CE1-CD1 3.9Å; Y885-Y892 HydrophobicContact CE1-CD1 3.9Å; Y885-Y892 HydrophobicContact CE1-CE1 4.07Å; L886-Y892 CarbonylContact C-O 3.56Å; L886-Y892 VanDerWaalsContact CA-O 3.28Å; L886-Y892 WeakPolarHBondContact CA-O 3.29Å; H887-Y892 PolarHBondContact N-O 3.48Å; H887-Y892 PolarHBondContact O-N 3.06Å; H887-Y892 VanDerWaalsContact O-N 3.09Å; E890-Y892 PolarHBondContact O-N 2.98Å; Y892-I894 HydrophobicContact CE1-CB 4Å; Y892-I894 HydrophobicContact CE1-CG2 3.66Å |
| 893 | L | 94.1 | Very high | 94.6 | Very high | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 127.2 | 171.8 | 173.5 | 65.2 | 0 | 0 | 0 | 107.8 | M363 F389 L863 Y885 L886 | M363-L893 HydrophobicContact CE-CD2 3.68Å; F389-L893 HydrophobicContact CD2-CD2 3.81Å; F389-L893 HydrophobicContact CE2-CD2 3.97Å; L863-L893 HydrophobicContact CD1-CD1 4.39Å; Y885-L893 WeakPolarHBondContact O-CA 3.48Å; L886-L893 HydrophobicContact CB-CD1 3.96Å |
| 894 | I | 93.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.7 | 173.6 | -170.7 | 171.3 | 0 | 0 | 0 | 109.7 | S884 Y885 Y892 Y896 | S884-I894 WeakPolarHBondContact CA-O 3.27Å; Y885-I894 HydrophobicContact CD1-CG2 4.27Å; Y885-I894 PolarHBondContact N-O 3.22Å; Y885-I894 PolarHBondContact O-N 2.89Å; Y892-I894 HydrophobicContact CE1-CB 4Å; Y892-I894 HydrophobicContact CE1-CG2 3.66Å; I894-Y896 HydrophobicContact CG1-CD1 4.41Å |
| 895 | R | 94.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.9 | 173.4 | -64.6 | -177.6 | 68.4 | -144.8 | 3.7 | 108.7 | D390 D393 E867 R882 H883 | D390-R895 PolarHBondContact O-NH1 3.22Å; D393-R895 IonicContact OD1-CZ 2.91Å; D393-R895 IonicContact OD1-NH1 2.98Å; D393-R895 PolarHBondContact OD1-NH1 2.92Å; D393-R895 IonicContact OD1-NH2 3.92Å; D393-R895 PolarHBondContact OD1-NH2 2.75Å; D393-R895 IonicContact OD2-CZ 3.54Å; D393-R895 IonicContact OD2-NH1 3.4Å; D393-R895 IonicContact OD2-NH2 2.98Å; D393-R895 PolarHBondContact OD2-NH2 2.9Å; E867-R895 IonicContact OE1-NH2 3.96Å; R882-R895 HydrophobicContact CB-CB 4.34Å; R882-R895 HydrophobicContact CG-CB 4.4Å; H883-R895 WeakPolarHBondContact O-CA 3.48Å |
| 896 | Y | 94.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.5 | -179.9 | 57.5 | -87.5 | 0 | 0 | 0 | 111.1 | R882 H883 I894 | R882-Y896 CarbonylContact C-O 3.59Å; R882-Y896 WeakPolarHBondContact CA-O 3.46Å; H883-Y896 HydrophobicContact CB-CD2 4.08Å; H883-Y896 HydrophobicContact CB-CE1 4.15Å; H883-Y896 HydrophobicContact CB-CE2 3.58Å; H883-Y896 PolarHBondContact N-O 3.44Å; H883-Y896 PolarHBondContact O-N 3.49Å; I894-Y896 HydrophobicContact CG1-CD1 4.41Å |
| 897 | M | 95.8 | Very high | 92.9 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 39% | 0.389 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 133.7 | 177.7 | -177.8 | 178.8 | 53.9 | 0 | 0 | 110 | R878 | R878-M897 HydrophobicContact CG-CG 4Å; R878-M897 HydrophobicContact CG-SD 4.16Å; R878-M897 WeakPolarHBondContact O-CG 3.27Å |
| 898 | P | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 152.8 | 174.4 | -22.4 | 30.9 | 0 | 0 | 0 | 112.4 | V573 T579 R878 F881 | V573-P898 HydrophobicContact CG1-CG 4.41Å; T579-P898 HydrophobicContact CG2-CB 3.73Å; T579-P898 HydrophobicContact CG2-CG 4.08Å; R878-P898 VanDerWaalsContact CD-O 3.3Å; R878-P898 WeakPolarHBondContact CD-O 3.38Å; R878-P898 PolarHBondContact NH1-O 3Å; F881-P898 HydrophobicContact CB-CG 3.84Å; F881-P898 WeakPolarHBondContact O-CD 3.44Å |
| 899 | F | 95.6 | Very high | 92.1 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 55% | 0.548 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 150.6 | 172.9 | -63.7 | -66 | 0 | 0 | 0 | 111.4 | T579 E580 | T579-F899 CarbonylContact C-O 3.56Å; T579-F899 VanDerWaalsContact CA-O 3.32Å; T579-F899 WeakPolarHBondContact CA-O 3.27Å; E580-F899 HydrophobicContact CB-CB 4.4Å; E580-F899 HydrophobicContact CG-CB 4.32Å; E580-F899 PolarHBondContact N-O 3.41Å; E580-F899 WeakPolarHBondContact OE1-CD2 3.49Å |
| 900 | A | 95.4 | Very high | 92 | Very high | 53 Ų | 53 | 71.9 Ų | 71.9 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 151.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A902 | A900-A902 PolarHBondContact O-N 3.45Š|
| 901 | P | 94.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 137 | 175 | 25.3 | -31.6 | 0 | 0 | 0 | 110.7 | T579 I903 T912 | T579-P901 WeakPolarHBondContact O-CB 3.46Å; T579-P901 WeakPolarHBondContact O-CD 3.48Å; P901-I903 PolarHBondContact O-N 3.02Å; P901-T912 HydrophobicContact CB-CG2 3.91Å; P901-T912 HydrophobicContact CG-CG2 3.96Å |
| 902 | A | 91.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 67 Ų | 67 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 128.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A900 | A900-A902 PolarHBondContact O-N 3.45Š|
| 903 | I | 92.8 | Very high | 92 | Very high | 121 Ų | 121 | 65.8 Ų | 65.8 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -87.3 | 121.2 | 175.8 | -58.6 | 173.7 | 0 | 0 | 0 | 108.2 | P901 T905 K910 W911 T912 | P901-I903 PolarHBondContact O-N 3.02Å; I903-T905 HydrophobicContact CG2-CG2 4.2Å; I903-K910 HydrophobicContact CG2-CB 4.27Å; I903-W911 CarbonylContact C-O 3.59Å; I903-W911 WeakPolarHBondContact CA-O 3.26Å; I903-T912 HydrophobicContact CG1-CG2 4.27Å |
| 904 | Q | 90.4 | Very high | 92 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 24% | 0.243 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 146.8 | 168.3 | -67.2 | -171.3 | 63.5 | 0 | 0 | 109.8 | K910 W911 A1004 | Q904-K910 WeakPolarHBondContact O-CA 3.36Å; Q904-W911 HydrophobicContact CB-CD2 4.15Å; Q904-W911 HydrophobicContact CB-CG 4.48Å; Q904-W911 HydrophobicContact CB-CZ2 3.95Å; Q904-W911 PolarHBondContact N-O 2.73Å; Q904-W911 PolarHBondContact O-N 3.45Å; Q904-A1004 PolarHBondContact NE2-O 3.44Å; Q904-A1004 PolarHBondContact OE1-O 3.18Å; Q904-A1004 VanDerWaalsContact OE1-O 3.1Å |
| 905 | T | 88.8 | Confident | 92 | Very high | 91 Ų | 91 | 64.2 Ų | 64.2 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.7 | -179.1 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | I903 L909 K910 | I903-T905 HydrophobicContact CG2-CG2 4.2Å; T905-L909 WeakPolarHBondContact CA-O 3.46Å; T905-K910 HydrophobicContact CG2-CB 4.49Å; T905-K910 HydrophobicContact CG2-CD 4.16Å; T905-K910 HydrophobicContact CG2-CG 3.87Å |
| 906 | F | 87.9 | Confident | 91.9 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 119.4 | 172.3 | -175.7 | -100.1 | 0 | 0 | 0 | 109 | H908 L909 W911 L941 C996 E997 E999 F1005 | F906-H908 PolarHBondContact O-N 3.44Å; F906-H908 VanDerWaalsContact O-N 3.11Å; F906-L909 PolarHBondContact N-O 3.31Å; F906-L909 WeakPolarHBondContact O-CB 3.47Å; F906-L909 PolarHBondContact O-N 3.22Å; F906-W911 HydrophobicContact CB-CH2 3.36Å; F906-W911 HydrophobicContact CB-CZ3 3.61Å; F906-W911 HydrophobicContact CG-CH2 4.42Å; F906-L941 HydrophobicContact CD1-CD2 3.89Å; F906-L941 HydrophobicContact CE1-CD2 4.03Å; F906-C996 HydrophobicContact CE1-CB 4.28Å; F906-C996 HydrophobicContact CZ-CB 4.3Å; F906-E997 WeakPolarHBondContact CZ-O 3.37Å; F906-E999 HydrophobicContact CE2-CB 4.46Å; F906-F1005 HydrophobicContact CB-CE1 4.14Å; F906-F1005 HydrophobicContact CB-CZ 4.22Å; F906-F1005 AromaticContact CD1-CE1 3.62Å; F906-F1005 HydrophobicContact CD1-CE1 3.62Å; F906-F1005 AromaticContact CD1-CZ 3.53Å; F906-F1005 HydrophobicContact CD1-CZ 3.53Å; F906-F1005 AromaticContact CD2-CZ 3.94Å; F906-F1005 HydrophobicContact CD2-CZ 3.94Å; F906-F1005 HydrophobicContact CE1-CE1 4.15Å; F906-F1005 AromaticContact CE1-CZ 3.75Å; F906-F1005 HydrophobicContact CE1-CZ 3.75Å; F906-F1005 HydrophobicContact CE2-CZ 4.16Å; F906-F1005 AromaticContact CG-CE1 3.89Å; F906-F1005 HydrophobicContact CG-CE1 3.89Å; F906-F1005 AromaticContact CG-CZ 3.63Å; F906-F1005 HydrophobicContact CG-CZ 3.63Å; F906-F1005 HydrophobicContact CZ-CZ 4.07Å |
| 907 | H | 84.7 | Confident | 91.8 | Very high | 148 Ų | 148 | 60.5 Ų | 60.5 | 69% | 0.685 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -112.4 | -169.8 | -66.4 | -135.9 | 0 | 0 | 0 | 111.5 | ||
| 908 | H | 84.4 | Confident | 91.6 | Very high | 129 Ų | 129 | 63 Ų | 63 | 60% | 0.597 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -8 | 178.9 | 65.6 | -78.8 | 0 | 0 | 0 | 112.8 | F906 H939 | F906-H908 PolarHBondContact O-N 3.44Å; F906-H908 VanDerWaalsContact O-N 3.11Å; H908-H939 PolarHBondContact CE1-O 3.42Å; H908-H939 VanDerWaalsContact CE1-O 3.27Å |
| 909 | L | 89.1 | Confident | 91.5 | Very high | 30 Ų | 30 | 63 Ų | 63 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 137.3 | -179 | -62.2 | 174.8 | 0 | 0 | 0 | 110 | T905 F906 W911 H939 L941 | T905-L909 WeakPolarHBondContact CA-O 3.46Å; F906-L909 PolarHBondContact N-O 3.31Å; F906-L909 WeakPolarHBondContact O-CB 3.47Å; F906-L909 PolarHBondContact O-N 3.22Å; L909-W911 HydrophobicContact CB-CE3 3.94Å; L909-W911 HydrophobicContact CB-CZ3 3.78Å; L909-H939 HydrophobicContact CD1-CB 4.17Å; L909-L941 HydrophobicContact CD1-CD1 4.04Å; L909-L941 HydrophobicContact CD1-CD2 3.68Å; L909-L941 HydrophobicContact CD1-CG 3.91Å |
| 910 | K | 91.6 | Very high | 91.4 | Very high | 162 Ų | 162 | 59.9 Ų | 59.9 | 70% | 0.704 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.5 | 171.8 | -57.1 | -165.9 | 174.7 | 179.8 | 0 | 108.8 | I903 Q904 T905 | I903-K910 HydrophobicContact CG2-CB 4.27Å; Q904-K910 WeakPolarHBondContact O-CA 3.36Å; T905-K910 HydrophobicContact CG2-CB 4.49Å; T905-K910 HydrophobicContact CG2-CD 4.16Å; T905-K910 HydrophobicContact CG2-CG 3.87Å |
| 911 | W | 93.7 | Very high | 91.2 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 170.1 | -179.7 | 68.7 | 92.5 | 0 | 0 | 0 | 111.5 | I903 Q904 F906 L909 D915 T1003 A1004 F1005 P1006 | I903-W911 CarbonylContact C-O 3.59Å; I903-W911 WeakPolarHBondContact CA-O 3.26Å; Q904-W911 HydrophobicContact CB-CD2 4.15Å; Q904-W911 HydrophobicContact CB-CG 4.48Å; Q904-W911 HydrophobicContact CB-CZ2 3.95Å; Q904-W911 PolarHBondContact N-O 2.73Å; Q904-W911 PolarHBondContact O-N 3.45Å; F906-W911 HydrophobicContact CB-CH2 3.36Å; F906-W911 HydrophobicContact CB-CZ3 3.61Å; F906-W911 HydrophobicContact CG-CH2 4.42Å; L909-W911 HydrophobicContact CB-CE3 3.94Å; L909-W911 HydrophobicContact CB-CZ3 3.78Å; W911-D915 WeakPolarHBondContact CA-OD2 3.45Å; W911-D915 HydrophobicContact CB-CB 3.93Å; W911-T1003 HydrophobicContact CH2-CG2 4.47Å; W911-T1003 HydrophobicContact CZ2-CG2 4.3Å; W911-A1004 PolarHBondContact NE1-O 2.94Å; W911-F1005 AromaticContact CH2-CD1 3.69Å; W911-F1005 HydrophobicContact CH2-CD1 3.69Å; W911-F1005 AromaticContact CH2-CE1 3.67Å; W911-F1005 HydrophobicContact CH2-CE1 3.67Å; W911-F1005 HydrophobicContact CH2-CG 4.43Å; W911-F1005 HydrophobicContact CH2-CZ 4.39Å; W911-F1005 AromaticContact CZ2-CD1 3.96Å; W911-F1005 HydrophobicContact CZ2-CD1 3.96Å; W911-F1005 HydrophobicContact CZ2-CE1 4.32Å; W911-F1005 HydrophobicContact CZ2-CG 4.3Å; W911-F1005 HydrophobicContact CZ3-CD1 4.47Å; W911-F1005 HydrophobicContact CZ3-CE1 4.41Å; W911-P1006 HydrophobicContact CB-CG 4.43Å; W911-P1006 HydrophobicContact CD2-CG 4.23Å; W911-P1006 VanDerWaalsContact CE2-CD 3.49Å; W911-P1006 HydrophobicContact CG-CB 4.3Å; W911-P1006 HydrophobicContact CG-CG 4.02Å |
| 912 | T | 93.5 | Very high | 91 | Very high | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | trans | -123.2 | 174.7 | 174 | 64.6 | 0 | 0 | 0 | 0 | 109.7 | P901 I903 W914 D915 | P901-T912 HydrophobicContact CB-CG2 3.91Å; P901-T912 HydrophobicContact CG-CG2 3.96Å; I903-T912 HydrophobicContact CG1-CG2 4.27Å; T912-W914 PolarHBondContact O-N 3.44Å; T912-W914 PolarHBondContact OG1-N 2.98Å; T912-D915 PolarHBondContact N-OD2 3.19Å; T912-D915 PolarHBondContact O-N 3.41Å; T912-D915 VanDerWaalsContact O-N 3.14Å; T912-D915 PolarHBondContact OG1-OD2 3.28Å | ||
| 913 | C | 89.8 | Confident | 90.7 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.6 | 173.4 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | T553 R916 | T553-C913 WeakPolarHBondContact CG2-O 3.21Å; C913-R916 PolarHBondContact O-NH1 3.26Å |
| 914 | W | 93.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.011 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -14.7 | 179.8 | -57.2 | 108.8 | 0 | 0 | 0 | 113.6 | T553 L556 P576 H577 T579 A581 T912 R916 | T553-W914 HydrophobicContact CG2-CE3 4.21Å; T553-W914 HydrophobicContact CG2-CZ3 4.31Å; L556-W914 HydrophobicContact CD2-CB 4.38Å; L556-W914 HydrophobicContact CD2-CE3 4.05Å; L556-W914 VanDerWaalsContact CD2-O 3.23Å; L556-W914 WeakPolarHBondContact CD2-O 3.42Å; P576-W914 HydrophobicContact CB-CD2 4.35Å; P576-W914 HydrophobicContact CB-CE3 3.92Å; P576-W914 HydrophobicContact CB-CZ3 4.12Å; P576-W914 HydrophobicContact CG-CE3 4.15Å; P576-W914 HydrophobicContact CG-CH2 4.38Å; P576-W914 HydrophobicContact CG-CZ3 3.84Å; H577-W914 PolarHBondContact CE1-O 3.44Å; H577-W914 VanDerWaalsContact CE1-O 3.27Å; H577-W914 VanDerWaalsContact N-CG 3.31Å; H577-W914 WeakPolarHBondContact ND1-CB 3.36Å; T579-W914 PolarHBondContact O-NE1 2.9Å; A581-W914 HydrophobicContact CB-CZ2 4.06Å; T912-W914 PolarHBondContact O-N 3.44Å; T912-W914 PolarHBondContact OG1-N 2.98Å; W914-R916 VanDerWaalsContact C-NH1 3.31Å; W914-R916 PolarHBondContact O-NH1 2.71Å |
| 915 | D | 93.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | trans | -84 | 151.7 | -175 | -62.4 | -49.2 | 0 | 0 | 0 | 112.2 | H577 W911 T912 P1006 | H577-D915 IonicContact CE1-OD1 3.68Å; H577-D915 IonicContact ND1-OD1 3.47Å; W911-D915 WeakPolarHBondContact CA-OD2 3.45Å; W911-D915 HydrophobicContact CB-CB 3.93Å; T912-D915 PolarHBondContact N-OD2 3.19Å; T912-D915 PolarHBondContact O-N 3.41Å; T912-D915 VanDerWaalsContact O-N 3.14Å; T912-D915 PolarHBondContact OG1-OD2 3.28Å; D915-P1006 VanDerWaalsContact O-CB 3.22Å; D915-P1006 WeakPolarHBondContact O-CB 3.46Å | ||
| 916 | R | 91.8 | Very high | 90.9 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | trans | -130.9 | 135.8 | -179 | -55.9 | -61.1 | 178.2 | -103.5 | -0.5 | 110 | T553 C913 W914 H1009 | T553-R916 PolarHBondContact O-NH2 2.78Å; C913-R916 PolarHBondContact O-NH1 3.26Å; W914-R916 VanDerWaalsContact C-NH1 3.31Å; W914-R916 PolarHBondContact O-NH1 2.71Å; R916-H1009 WeakPolarHBondContact CD-NE2 3.35Å; R916-H1009 PolarHBondContact NE-NE2 2.79Å | ||
| 917 | L | 92.7 | Very high | 91.4 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.9 | 166.9 | -72.5 | 166.2 | 0 | 0 | 0 | 107.7 | L941 L994 P1006 P1007 L1008 H1009 | L917-L941 HydrophobicContact CD1-CD1 3.77Å; L917-L994 HydrophobicContact CD1-CD2 4.08Å; L917-P1006 HydrophobicContact CD1-CG 3.81Å; L917-P1006 HydrophobicContact CG-CG 3.74Å; L917-P1007 PolarHBondContact N-O 3.07Å; L917-P1007 VanDerWaalsContact N-O 3.08Å; L917-L1008 HydrophobicContact CB-CD1 3.97Å; L917-L1008 CarbonylContact O-C 3.55Å; L917-L1008 WeakPolarHBondContact O-CA 3.45Å; L917-H1009 PolarHBondContact O-N 2.8Å |
| 918 | K | 92.8 | Very high | 91.9 | Very high | 131 Ų | 131 | 56.2 Ų | 56.2 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.8 | -178.4 | -64.7 | -178.5 | 177.7 | -171.5 | 0 | 109.6 | H1009 | K918-H1009 WeakPolarHBondContact CA-O 3.34Å; K918-H1009 HydrophobicContact CG-CB 4.33Å |
| 919 | V | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 119.8 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | L931 H934 L935 L1008 H1009 Y1010 E1011 | V919-L931 HydrophobicContact CB-CD1 4.25Å; V919-L931 HydrophobicContact CG1-CD1 3.71Å; V919-H934 VanDerWaalsContact CG1-CD2 3.45Å; V919-H934 WeakPolarHBondContact CG1-CD2 3.47Å; V919-L935 HydrophobicContact CG2-CD2 4.17Å; V919-L1008 HydrophobicContact CB-CD1 3.93Å; V919-L1008 HydrophobicContact CG2-CD1 3.44Å; V919-L1008 VanDerWaalsContact CG2-CD1 3.44Å; V919-H1009 PolarHBondContact N-O 3.43Å; V919-Y1010 HydrophobicContact CG1-CD2 4.4Å; V919-Y1010 CarbonylContact O-C 3.55Å; V919-Y1010 VanDerWaalsContact O-CA 3.29Å; V919-Y1010 WeakPolarHBondContact O-CA 3.23Å; V919-E1011 PolarHBondContact O-N 2.97Å |
| 920 | P | 93.2 | Very high | 92.7 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 151.3 | 176.5 | 26 | -31.7 | 0 | 0 | 0 | 110.7 | G922 R926 E1011 | P920-G922 VanDerWaalsContact C-N 3.34Å; P920-R926 PolarHBondContact O-NH1 3.28Å; P920-E1011 CarbonylContact C-O 3.44Å |
| 921 | A | 91.4 | Very high | 93 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | trans | -67.5 | -38.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E925 R926 Y1010 E1011 L1012 | A921-E925 HydrophobicContact CB-CG 4.28Å; A921-R926 WeakPolarHBondContact O-CB 3.38Å; A921-R926 VanDerWaalsContact O-CG 3.24Å; A921-R926 WeakPolarHBondContact O-CG 3.35Å; A921-R926 PolarHBondContact O-N 3.27Å; A921-R926 PolarHBondContact O-NH1 2.75Å; A921-Y1010 VanDerWaalsContact CA-CZ 3.44Å; A921-Y1010 WeakPolarHBondContact CA-OH 3.15Å; A921-Y1010 HydrophobicContact CB-CD1 4.42Å; A921-Y1010 HydrophobicContact CB-CE1 3.65Å; A921-Y1010 HydrophobicContact CB-CE2 4.33Å; A921-E1011 WeakPolarHBondContact CB-O 3.29Å; A921-E1011 PolarHBondContact N-O 2.94Å; A921-L1012 HydrophobicContact CB-CD2 4.42Å | ||
| 922 | G | 88.9 | Confident | 93.1 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 171.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P920 P924 E925 | P920-G922 VanDerWaalsContact C-N 3.34Å; G922-P924 CarbonylContact C-O 3.52Å; G922-P924 CarbonylContact O-C 3.46Å; G922-E925 PolarHBondContact O-N 3.14Å |
| 923 | Q | 85.6 | Confident | 93.1 | Very high | 200 Ų | 200 | 52.3 Ų | 52.3 | 94% | 0.935 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | 108.1 | 175.9 | -67.5 | -171.5 | -0.1 | 0 | 0 | 109.8 | ||
| 924 | P | 88.1 | Confident | 93.4 | Very high | 125 Ų | 125 | 51.7 Ų | 51.7 | 81% | 0.812 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -66.1 | 162.1 | -2.3 | 30.7 | -36 | 0 | 0 | 0 | 113 | G922 R926 | G922-P924 CarbonylContact C-O 3.52Å; G922-P924 CarbonylContact O-C 3.46Å; P924-R926 PolarHBondContact O-N 2.97Å |
| 925 | E | 93.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 133.1 | 177.3 | -178 | -170.8 | 171.9 | 0 | 0 | 111 | A921 G922 R970 V971 T972 Y1010 | A921-E925 HydrophobicContact CB-CG 4.28Å; G922-E925 PolarHBondContact O-N 3.14Å; E925-R970 HydrophobicContact CB-CG 4.41Å; E925-R970 HydrophobicContact CG-CB 4.32Å; E925-R970 HydrophobicContact CG-CG 4.49Å; E925-R970 WeakPolarHBondContact OE2-CD 3.5Å; E925-R970 IonicContact OE2-NE 2.75Å; E925-R970 IonicContact OE2-NH1 2.74Å; E925-R970 PolarHBondContact OE2-NH1 3.41Å; E925-V971 PolarHBondContact OE1-N 2.88Å; E925-T972 VanDerWaalsContact OE1-CB 3.26Å; E925-T972 WeakPolarHBondContact OE1-CB 3.12Å; E925-T972 WeakPolarHBondContact OE1-CG2 2.88Å; E925-T972 PolarHBondContact OE1-N 3.4Å; E925-T972 PolarHBondContact OE1-OG1 3.13Å; E925-T972 PolarHBondContact OE2-OG1 3.2Å; E925-Y1010 VanDerWaalsContact CG-OH 3.3Å; E925-Y1010 WeakPolarHBondContact CG-OH 3.36Å |
| 926 | R | 95.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 139.9 | 177.4 | -77.5 | 170.2 | 175.6 | 84.5 | -2.4 | 111 | P920 A921 P924 L930 V971 Y1010 | P920-R926 PolarHBondContact O-NH1 3.28Å; A921-R926 WeakPolarHBondContact O-CB 3.38Å; A921-R926 VanDerWaalsContact O-CG 3.24Å; A921-R926 WeakPolarHBondContact O-CG 3.35Å; A921-R926 PolarHBondContact O-N 3.27Å; A921-R926 PolarHBondContact O-NH1 2.75Å; P924-R926 PolarHBondContact O-N 2.97Å; R926-L930 HydrophobicContact CB-CB 4.15Å; R926-L930 HydrophobicContact CG-CB 4.14Å; R926-V971 PolarHBondContact O-N 3.45Å; R926-Y1010 HydrophobicContact CB-CE2 4.43Å; R926-Y1010 PolarHBondContact N-OH 2.63Å; R926-Y1010 PolarHBondContact O-OH 2.95Å |
| 927 | T | 96.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 165 | 164.6 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | E929 L930 L931 P968 L969 | T927-E929 PolarHBondContact O-N 2.85Å; T927-L930 PolarHBondContact O-N 3.4Å; T927-L930 WeakPolarHBondContact OG1-CG 3.4Å; T927-L930 PolarHBondContact OG1-N 3.16Å; T927-L931 PolarHBondContact O-N 2.98Å; T927-P968 VanDerWaalsContact CG2-O 3.22Å; T927-P968 WeakPolarHBondContact CG2-O 3.39Å; T927-L969 CarbonylContact C-O 3.58Å; T927-L969 WeakPolarHBondContact CA-O 3.49Å |
| 928 | L | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55 | -42.3 | 171.8 | 175.6 | 65.3 | 0 | 0 | 0 | 110.9 | L930 L931 L932 L946 Y954 R966 L967 L969 L974 | L928-L930 PolarHBondContact O-N 3.25Å; L928-L931 WeakPolarHBondContact O-CB 3.43Å; L928-L931 PolarHBondContact O-N 3.4Å; L928-L932 HydrophobicContact CD1-CD1 4.35Å; L928-L932 HydrophobicContact CD1-CD2 4.47Å; L928-L932 HydrophobicContact CD1-CG 4.2Å; L928-L932 HydrophobicContact CG-CD1 4.19Å; L928-L932 HydrophobicContact CG-CG 4.43Å; L928-L932 VanDerWaalsContact O-CG 3.3Å; L928-L932 WeakPolarHBondContact O-CG 3.37Å; L928-L932 PolarHBondContact O-N 3.15Å; L928-L946 HydrophobicContact CD1-CD2 3.68Å; L928-Y954 HydrophobicContact CD2-CD2 4.16Å; L928-Y954 HydrophobicContact CD2-CG 4.42Å; L928-R966 HydrophobicContact CD2-CB 4.37Å; L928-L967 HydrophobicContact CD2-CD2 4.36Å; L928-L967 HydrophobicContact CG-CD2 4.39Å; L928-L967 PolarHBondContact N-O 2.73Å; L928-L969 PolarHBondContact N-O 3.44Å; L928-L974 HydrophobicContact CB-CD2 4.25Å; L928-L974 HydrophobicContact CD1-CD2 4.38Å; L928-L974 HydrophobicContact CD2-CD2 3.67Å; L928-L974 HydrophobicContact CG-CD2 4.31Å |
| 929 | E | 95.6 | Very high | 93.1 | Very high | 113 Ų | 113 | 58 Ų | 58 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 176.4 | -174.6 | 173.8 | -148.7 | 0 | 0 | 112.6 | T927 L931 L932 A933 L967 | T927-E929 PolarHBondContact O-N 2.85Å; E929-L931 VanDerWaalsContact C-N 3.31Å; E929-L931 PolarHBondContact O-N 2.71Å; E929-L932 PolarHBondContact O-N 2.91Å; E929-A933 WeakPolarHBondContact O-CB 3.01Å; E929-A933 PolarHBondContact O-N 2.66Å; E929-L967 HydrophobicContact CB-CB 4.19Å; E929-L967 HydrophobicContact CB-CD2 4.19Å; E929-L967 WeakPolarHBondContact CB-O 3.44Å; E929-L967 PolarHBondContact N-O 2.78Å |
| 930 | L | 95.8 | Very high | 92.8 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68 | -31.1 | 178.9 | -69.5 | 175.1 | 0 | 0 | 0 | 112.5 | R926 T927 L928 H934 | R926-L930 HydrophobicContact CB-CB 4.15Å; R926-L930 HydrophobicContact CG-CB 4.14Å; T927-L930 PolarHBondContact O-N 3.4Å; T927-L930 WeakPolarHBondContact OG1-CG 3.4Å; T927-L930 PolarHBondContact OG1-N 3.16Å; L928-L930 PolarHBondContact O-N 3.25Å; L930-H934 VanDerWaalsContact O-CB 3.26Å; L930-H934 WeakPolarHBondContact O-CB 3.42Å; L930-H934 PolarHBondContact O-N 3.36Å |
| 931 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -47.8 | 173.2 | 177.2 | 59.9 | 0 | 0 | 0 | 111.1 | V919 T927 L928 E929 H934 L935 L946 V971 L992 L1008 Y1010 | V919-L931 HydrophobicContact CB-CD1 4.25Å; V919-L931 HydrophobicContact CG1-CD1 3.71Å; T927-L931 PolarHBondContact O-N 2.98Å; L928-L931 WeakPolarHBondContact O-CB 3.43Å; L928-L931 PolarHBondContact O-N 3.4Å; E929-L931 VanDerWaalsContact C-N 3.31Å; E929-L931 PolarHBondContact O-N 2.71Å; L931-H934 PolarHBondContact O-N 3.31Å; L931-L935 HydrophobicContact CD1-CD1 4.43Å; L931-L935 HydrophobicContact CD1-CG 4.48Å; L931-L935 HydrophobicContact CG-CD1 4.35Å; L931-L935 WeakPolarHBondContact O-CG 3.42Å; L931-L935 PolarHBondContact O-N 3.08Å; L931-L946 HydrophobicContact CD2-CD2 4.02Å; L931-V971 HydrophobicContact CB-CG2 4.34Å; L931-V971 HydrophobicContact CD2-CG2 3.88Å; L931-L992 HydrophobicContact CD2-CD1 3.96Å; L931-L1008 HydrophobicContact CD1-CD2 4.22Å; L931-L1008 HydrophobicContact CD2-CD2 4.27Å; L931-Y1010 HydrophobicContact CD1-CD2 4.04Å; L931-Y1010 HydrophobicContact CD1-CE2 4.2Å; L931-Y1010 HydrophobicContact CD2-CD2 4.36Å |
| 932 | L | 95.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.12 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 178.1 | -63.3 | 176.6 | 0 | 0 | 0 | 111.3 | L928 E929 H934 L935 Q936 V943 Y954 L967 | L928-L932 HydrophobicContact CD1-CD1 4.35Å; L928-L932 HydrophobicContact CD1-CD2 4.47Å; L928-L932 HydrophobicContact CD1-CG 4.2Å; L928-L932 HydrophobicContact CG-CD1 4.19Å; L928-L932 HydrophobicContact CG-CG 4.43Å; L928-L932 VanDerWaalsContact O-CG 3.3Å; L928-L932 WeakPolarHBondContact O-CG 3.37Å; L928-L932 PolarHBondContact O-N 3.15Å; E929-L932 PolarHBondContact O-N 2.91Å; L932-H934 PolarHBondContact O-N 3.42Å; L932-L935 PolarHBondContact O-N 3.34Å; L932-Q936 PolarHBondContact O-N 3.29Å; L932-V943 HydrophobicContact CD2-CB 3.75Å; L932-V943 HydrophobicContact CD2-CG1 3.91Å; L932-V943 HydrophobicContact CD2-CG2 3.98Å; L932-Y954 HydrophobicContact CD1-CD1 3.99Å; L932-Y954 HydrophobicContact CD1-CD2 3.88Å; L932-Y954 HydrophobicContact CD1-CE1 3.89Å; L932-Y954 HydrophobicContact CD1-CE2 3.78Å; L932-Y954 HydrophobicContact CD1-CG 3.98Å; L932-Y954 HydrophobicContact CD2-CD1 4.06Å; L932-Y954 HydrophobicContact CD2-CE1 4.29Å; L932-L967 HydrophobicContact CD1-CD2 3.86Å |
| 933 | A | 94.9 | Very high | 93 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E929 L935 Q936 E937 | E929-A933 WeakPolarHBondContact O-CB 3.01Å; E929-A933 PolarHBondContact O-N 2.66Å; A933-L935 PolarHBondContact O-N 3.43Å; A933-Q936 PolarHBondContact O-N 2.84Å; A933-E937 WeakPolarHBondContact O-CB 3.49Å; A933-E937 VanDerWaalsContact O-CG 3.3Å; A933-E937 WeakPolarHBondContact O-CG 3.44Å; A933-E937 PolarHBondContact O-N 3.22Å |
| 934 | H | 94.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.4 | -178.7 | 81.9 | 0 | 0 | 0 | 112.4 | V919 L930 L931 L932 Q936 E937 Q938 | V919-H934 VanDerWaalsContact CG1-CD2 3.45Å; V919-H934 WeakPolarHBondContact CG1-CD2 3.47Å; L930-H934 VanDerWaalsContact O-CB 3.26Å; L930-H934 WeakPolarHBondContact O-CB 3.42Å; L930-H934 PolarHBondContact O-N 3.36Å; L931-H934 PolarHBondContact O-N 3.31Å; L932-H934 PolarHBondContact O-N 3.42Å; H934-Q936 VanDerWaalsContact C-N 3.3Å; H934-Q936 PolarHBondContact O-N 3.25Å; H934-E937 PolarHBondContact O-N 3.29Å; H934-Q938 VanDerWaalsContact CE1-CG 3.49Å; H934-Q938 WeakPolarHBondContact CE1-CG 3.37Å; H934-Q938 VanDerWaalsContact O-CB 3.3Å; H934-Q938 WeakPolarHBondContact O-CB 3.35Å; H934-Q938 WeakPolarHBondContact O-CG 3.46Å; H934-Q938 PolarHBondContact O-N 2.97Å |
| 935 | L | 93.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 176.4 | -68.4 | 169.6 | 0 | 0 | 0 | 111.6 | V919 L931 L932 A933 H939 G940 L941 V943 L994 L1008 | V919-L935 HydrophobicContact CG2-CD2 4.17Å; L931-L935 HydrophobicContact CD1-CD1 4.43Å; L931-L935 HydrophobicContact CD1-CG 4.48Å; L931-L935 HydrophobicContact CG-CD1 4.35Å; L931-L935 WeakPolarHBondContact O-CG 3.42Å; L931-L935 PolarHBondContact O-N 3.08Å; L932-L935 PolarHBondContact O-N 3.34Å; A933-L935 PolarHBondContact O-N 3.43Å; L935-H939 CarbonylContact O-C 3.6Å; L935-H939 WeakPolarHBondContact O-CA 3.49Å; L935-H939 WeakPolarHBondContact O-CB 3.48Å; L935-H939 PolarHBondContact O-N 3.13Å; L935-H939 VanDerWaalsContact O-N 3.1Å; L935-G940 PolarHBondContact O-N 3.19Å; L935-L941 HydrophobicContact CB-CB 4.39Å; L935-L941 PolarHBondContact O-N 2.91Å; L935-L941 VanDerWaalsContact O-N 3.11Å; L935-V943 HydrophobicContact CB-CG2 4.3Å; L935-V943 HydrophobicContact CD1-CG2 3.66Å; L935-L994 HydrophobicContact CD1-CD2 4.49Å; L935-L1008 HydrophobicContact CD1-CD2 3.97Å; L935-L1008 HydrophobicContact CD2-CD1 4.1Å; L935-L1008 HydrophobicContact CD2-CD2 4.36Å |
| 936 | Q | 93.2 | Very high | 93.6 | Very high | 68 Ų | 68 | 55 Ų | 55 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 176.3 | -179.5 | 56.3 | 35.4 | 0 | 0 | 112.7 | L932 A933 H934 G940 L941 R942 | L932-Q936 PolarHBondContact O-N 3.29Å; A933-Q936 PolarHBondContact O-N 2.84Å; H934-Q936 VanDerWaalsContact C-N 3.3Å; H934-Q936 PolarHBondContact O-N 3.25Å; Q936-G940 WeakPolarHBondContact O-CA 2.94Å; Q936-G940 PolarHBondContact O-N 3.41Å; Q936-L941 PolarHBondContact OE1-O 3Å; Q936-R942 VanDerWaalsContact OE1-N 3.09Å |
| 937 | E | 93.1 | Very high | 93.4 | Very high | 146 Ų | 146 | 54.1 Ų | 54.1 | 68% | 0.682 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -74.6 | -43.1 | -174.7 | -72.8 | 173.9 | -175.5 | 0 | 0 | 112.6 | A933 H934 | A933-E937 WeakPolarHBondContact O-CB 3.49Å; A933-E937 VanDerWaalsContact O-CG 3.3Å; A933-E937 WeakPolarHBondContact O-CG 3.44Å; A933-E937 PolarHBondContact O-N 3.22Å; H934-E937 PolarHBondContact O-N 3.29Å |
| 938 | Q | 90.7 | Very high | 93 | Very high | 118 Ų | 118 | 55 Ų | 55 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -88.7 | -32.5 | -174.1 | -60 | -57.5 | -54.4 | 0 | 0 | 113 | H934 | H934-Q938 VanDerWaalsContact CE1-CG 3.49Å; H934-Q938 WeakPolarHBondContact CE1-CG 3.37Å; H934-Q938 VanDerWaalsContact O-CB 3.3Å; H934-Q938 WeakPolarHBondContact O-CB 3.35Å; H934-Q938 WeakPolarHBondContact O-CG 3.46Å; H934-Q938 PolarHBondContact O-N 2.97Å |
| 939 | H | 88.1 | Confident | 92.3 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -118.7 | -4.7 | -173.6 | -57 | -63.9 | 0 | 0 | 0 | 113.1 | H908 L909 L935 L941 | H908-H939 PolarHBondContact CE1-O 3.42Å; H908-H939 VanDerWaalsContact CE1-O 3.27Å; L909-H939 HydrophobicContact CD1-CB 4.17Å; L935-H939 CarbonylContact O-C 3.6Å; L935-H939 WeakPolarHBondContact O-CA 3.49Å; L935-H939 WeakPolarHBondContact O-CB 3.48Å; L935-H939 PolarHBondContact O-N 3.13Å; L935-H939 VanDerWaalsContact O-N 3.1Å; H939-L941 HydrophobicContact CB-CB 4.45Å; H939-L941 HydrophobicContact CB-CD1 3.89Å; H939-L941 HydrophobicContact CB-CG 3.78Å; H939-L941 PolarHBondContact O-N 3.37Å |
| 940 | G | 89.4 | Confident | 91.6 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | trans | 67.3 | 17.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L935 Q936 | L935-G940 PolarHBondContact O-N 3.19Å; Q936-G940 WeakPolarHBondContact O-CA 2.94Å; Q936-G940 PolarHBondContact O-N 3.41Å | ||
| 941 | L | 91.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -92.4 | 108.3 | -172.8 | -66 | -178.6 | 0 | 0 | 0 | 111.6 | F906 L909 L917 L935 Q936 H939 V943 L994 F1005 | F906-L941 HydrophobicContact CD1-CD2 3.89Å; F906-L941 HydrophobicContact CE1-CD2 4.03Å; L909-L941 HydrophobicContact CD1-CD1 4.04Å; L909-L941 HydrophobicContact CD1-CD2 3.68Å; L909-L941 HydrophobicContact CD1-CG 3.91Å; L917-L941 HydrophobicContact CD1-CD1 3.77Å; L935-L941 HydrophobicContact CB-CB 4.39Å; L935-L941 PolarHBondContact O-N 2.91Å; L935-L941 VanDerWaalsContact O-N 3.11Å; Q936-L941 PolarHBondContact OE1-O 3Å; H939-L941 HydrophobicContact CB-CB 4.45Å; H939-L941 HydrophobicContact CB-CD1 3.89Å; H939-L941 HydrophobicContact CB-CG 3.78Å; H939-L941 PolarHBondContact O-N 3.37Å; L941-V943 PolarHBondContact O-N 3.05Å; L941-L994 HydrophobicContact CD1-CD1 4.46Å; L941-F1005 HydrophobicContact CD2-CD1 4.34Å; L941-F1005 HydrophobicContact CD2-CE1 3.63Å; L941-F1005 HydrophobicContact CD2-CZ 4.42Å | ||
| 942 | R | 92.3 | Very high | 91.1 | Very high | 154 Ų | 154 | 56.6 Ų | 56.6 | 58% | 0.581 | 30% | 0.295 | S | S | * | . | trans | -82.4 | 91.6 | 169.7 | -72.2 | -172 | -178.7 | -176 | 1 | 109.7 | Q936 R944 C996 E997 | Q936-R942 VanDerWaalsContact OE1-N 3.09Å; R942-R944 PolarHBondContact O-N 3.2Å; R942-C996 CarbonylContact O-C 3.56Å; R942-C996 WeakPolarHBondContact O-CA 3.4Å; R942-C996 WeakPolarHBondContact O-CB 3.48Å; R942-E997 HydrophobicContact CB-CB 4.09Å; R942-E997 HydrophobicContact CB-CG 4.18Å; R942-E997 VanDerWaalsContact CD-OE2 3.32Å; R942-E997 WeakPolarHBondContact CD-OE2 3.3Å; R942-E997 PolarHBondContact O-N 3.17Å | ||
| 943 | V | 93.2 | Very high | 91 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.8 | -178.9 | -179 | 0 | 0 | 0 | 0 | 110.5 | L932 L935 L941 M945 L946 Y954 L994 S995 | L932-V943 HydrophobicContact CD2-CB 3.75Å; L932-V943 HydrophobicContact CD2-CG1 3.91Å; L932-V943 HydrophobicContact CD2-CG2 3.98Å; L935-V943 HydrophobicContact CB-CG2 4.3Å; L935-V943 HydrophobicContact CD1-CG2 3.66Å; L941-V943 PolarHBondContact O-N 3.05Å; V943-M945 VanDerWaalsContact CG1-O 3.27Å; V943-M945 WeakPolarHBondContact CG1-O 3.45Å; V943-L946 HydrophobicContact CG1-CB 4.21Å; V943-Y954 HydrophobicContact CG1-CD1 4.17Å; V943-Y954 HydrophobicContact CG1-CE1 4.44Å; V943-Y954 WeakPolarHBondContact O-CE1 3.44Å; V943-L994 HydrophobicContact CG1-CB 4.49Å; V943-S995 CarbonylContact C-O 3.46Å; V943-S995 WeakPolarHBondContact CA-O 3.22Å |
| 944 | R | 93.3 | Very high | 91 | Very high | 133 Ų | 133 | 55.3 Ų | 55.3 | 50% | 0.502 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -43.2 | 171.6 | -179.1 | -171.7 | 177.2 | -179.6 | -0.1 | 111.1 | R942 S955 A956 S995 E997 | R942-R944 PolarHBondContact O-N 3.2Å; R944-S955 CarbonylContact O-C 3.59Å; R944-S955 WeakPolarHBondContact O-CA 3.42Å; R944-A956 PolarHBondContact O-N 2.94Å; R944-S995 PolarHBondContact N-O 3.28Å; R944-E997 HydrophobicContact CB-CG 4.46Å |
| 945 | M | 93.1 | Very high | 91 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.6 | 177.4 | -63.5 | -171 | -64.1 | 0 | 0 | 110.5 | V943 L947 L952 Y954 L994 S995 | V943-M945 VanDerWaalsContact CG1-O 3.27Å; V943-M945 WeakPolarHBondContact CG1-O 3.45Å; M945-L947 HydrophobicContact CB-CD1 4.07Å; M945-L952 HydrophobicContact CB-CD1 4.13Å; M945-L952 HydrophobicContact CG-CD1 4.38Å; M945-L952 HydrophobicContact SD-CD1 4.48Å; M945-Y954 WeakPolarHBondContact CA-O 3.29Å; M945-L994 VanDerWaalsContact O-CA 3.31Å; M945-L994 WeakPolarHBondContact O-CA 3.45Å; M945-S995 PolarHBondContact N-O 2.82Å; M945-S995 PolarHBondContact O-N 2.98Å |
| 946 | L | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.6 | 172.2 | -166.6 | 69.4 | 0 | 0 | 0 | 108.9 | L928 L931 V943 L953 Y954 L992 E993 L994 L1008 | L928-L946 HydrophobicContact CD1-CD2 3.68Å; L931-L946 HydrophobicContact CD2-CD2 4.02Å; V943-L946 HydrophobicContact CG1-CB 4.21Å; L946-L953 WeakPolarHBondContact O-CA 3.47Å; L946-L953 WeakPolarHBondContact O-CB 3.44Å; L946-L953 PolarHBondContact O-N 3.4Å; L946-Y954 PolarHBondContact N-O 3.47Å; L946-Y954 PolarHBondContact O-N 3.36Å; L946-Y954 VanDerWaalsContact O-N 3.13Å; L946-L992 HydrophobicContact CD1-CB 4.09Å; L946-L992 HydrophobicContact CD1-CD1 4.39Å; L946-L992 HydrophobicContact CD2-CD1 4.16Å; L946-L992 HydrophobicContact CG-CD1 4.42Å; L946-E993 CarbonylContact C-O 3.57Å; L946-E993 WeakPolarHBondContact CA-O 3.42Å; L946-L994 HydrophobicContact CD1-CB 3.88Å; L946-L1008 HydrophobicContact CD1-CD2 4.24Å |
| 947 | L | 91.9 | Very high | 90.5 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152.7 | -175.4 | -57.1 | 96.2 | 0 | 0 | 0 | 111.4 | M945 A951 L952 L992 E993 | M945-L947 HydrophobicContact CB-CD1 4.07Å; L947-A951 CarbonylContact C-O 3.58Å; L947-A951 VanDerWaalsContact CA-O 3.26Å; L947-A951 WeakPolarHBondContact CA-O 3.34Å; L947-L952 HydrophobicContact CD1-CD1 4.35Å; L947-L952 HydrophobicContact CD2-CD1 4.24Å; L947-L952 HydrophobicContact CG-CD1 3.88Å; L947-L992 CarbonylContact O-C 3.55Å; L947-L992 VanDerWaalsContact O-CA 3.25Å; L947-L992 WeakPolarHBondContact O-CA 3.36Å; L947-E993 HydrophobicContact CB-CB 4.38Å; L947-E993 PolarHBondContact N-O 3.41Å; L947-E993 PolarHBondContact O-N 2.77Å |
| 948 | H | 88.5 | Confident | 90.5 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 22% | 0.218 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 104.5 | 164.8 | 176.1 | 65.3 | 0 | 0 | 0 | 108.1 | A951 L953 V991 L992 | H948-A951 PolarHBondContact N-O 3.13Å; H948-A951 VanDerWaalsContact O-CB 3.3Å; H948-A951 WeakPolarHBondContact O-CB 3.35Å; H948-A951 PolarHBondContact O-N 2.98Å; H948-L953 HydrophobicContact CB-CD1 3.95Å; H948-L953 HydrophobicContact CB-CD2 4.35Å; H948-L953 HydrophobicContact CB-CG 4.2Å; H948-V991 PolarHBondContact ND1-O 2.96Å; H948-L992 HydrophobicContact CB-CD2 3.79Å |
| 949 | G | 81.3 | Confident | 90.6 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -133.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A951 | G949-A951 PolarHBondContact O-N 3.26Š|
| 950 | P | 80.4 | Confident | 90.6 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 88% | 0.877 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -6.9 | 176.5 | 32.3 | -35.2 | 0 | 0 | 0 | 113.8 | ||
| 951 | A | 88.5 | Confident | 90.7 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L947 H948 G949 L953 V978 T979 | L947-A951 CarbonylContact C-O 3.58Å; L947-A951 VanDerWaalsContact CA-O 3.26Å; L947-A951 WeakPolarHBondContact CA-O 3.34Å; H948-A951 PolarHBondContact N-O 3.13Å; H948-A951 VanDerWaalsContact O-CB 3.3Å; H948-A951 WeakPolarHBondContact O-CB 3.35Å; H948-A951 PolarHBondContact O-N 2.98Å; G949-A951 PolarHBondContact O-N 3.26Å; A951-L953 PolarHBondContact O-N 3.41Å; A951-V978 HydrophobicContact CB-CG1 3.96Å; A951-T979 HydrophobicContact CB-CG2 3.8Å |
| 952 | L | 92.4 | Very high | 90.6 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 108.1 | 178 | -172 | 62.8 | 0 | 0 | 0 | 111.1 | M945 L947 Y954 W958 R966 | M945-L952 HydrophobicContact CB-CD1 4.13Å; M945-L952 HydrophobicContact CG-CD1 4.38Å; M945-L952 HydrophobicContact SD-CD1 4.48Å; L947-L952 HydrophobicContact CD1-CD1 4.35Å; L947-L952 HydrophobicContact CD2-CD1 4.24Å; L947-L952 HydrophobicContact CG-CD1 3.88Å; L952-Y954 VanDerWaalsContact CD1-O 3.25Å; L952-Y954 WeakPolarHBondContact CD1-O 3.29Å; L952-W958 HydrophobicContact CB-CZ2 4.33Å; L952-W958 HydrophobicContact CD2-CH2 4.48Å; L952-W958 HydrophobicContact CD2-CZ2 3.54Å; L952-W958 HydrophobicContact CG-CH2 4.1Å; L952-W958 HydrophobicContact CG-CZ2 3.61Å; L952-R966 PolarHBondContact O-NH1 3.35Å |
| 953 | L | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -42 | 179.2 | -57.2 | -175.4 | 0 | 0 | 0 | 111.5 | L946 H948 A951 W958 R966 L974 V975 V978 L992 | L946-L953 WeakPolarHBondContact O-CA 3.47Å; L946-L953 WeakPolarHBondContact O-CB 3.44Å; L946-L953 PolarHBondContact O-N 3.4Å; H948-L953 HydrophobicContact CB-CD1 3.95Å; H948-L953 HydrophobicContact CB-CD2 4.35Å; H948-L953 HydrophobicContact CB-CG 4.2Å; A951-L953 PolarHBondContact O-N 3.41Å; L953-W958 VanDerWaalsContact O-CH2 3.31Å; L953-W958 WeakPolarHBondContact O-CH2 3.45Å; L953-W958 VanDerWaalsContact O-CZ3 3.28Å; L953-W958 WeakPolarHBondContact O-CZ3 3.4Å; L953-R966 PolarHBondContact O-NH1 3.43Å; L953-L974 HydrophobicContact CB-CD2 4.05Å; L953-L974 HydrophobicContact CD2-CG 4.38Å; L953-V975 HydrophobicContact CD1-CG2 3.85Å; L953-V975 HydrophobicContact CD2-CG2 4.04Å; L953-V978 HydrophobicContact CD2-CB 4.29Å; L953-V978 HydrophobicContact CD2-CG2 4.36Å; L953-L992 HydrophobicContact CD1-CD2 3.57Å |
| 954 | Y | 94.9 | Very high | 90.3 | Very high | 31 Ų | 31 | 57 Ų | 57 | 12% | 0.122 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.6 | -178.8 | 173.7 | -103.3 | 0 | 0 | 0 | 112.3 | L928 L932 V943 M945 L946 L952 A956 Q963 L967 | L928-Y954 HydrophobicContact CD2-CD2 4.16Å; L928-Y954 HydrophobicContact CD2-CG 4.42Å; L932-Y954 HydrophobicContact CD1-CD1 3.99Å; L932-Y954 HydrophobicContact CD1-CD2 3.88Å; L932-Y954 HydrophobicContact CD1-CE1 3.89Å; L932-Y954 HydrophobicContact CD1-CE2 3.78Å; L932-Y954 HydrophobicContact CD1-CG 3.98Å; L932-Y954 HydrophobicContact CD2-CD1 4.06Å; L932-Y954 HydrophobicContact CD2-CE1 4.29Å; V943-Y954 HydrophobicContact CG1-CD1 4.17Å; V943-Y954 HydrophobicContact CG1-CE1 4.44Å; V943-Y954 WeakPolarHBondContact O-CE1 3.44Å; M945-Y954 WeakPolarHBondContact CA-O 3.29Å; L946-Y954 PolarHBondContact N-O 3.47Å; L946-Y954 PolarHBondContact O-N 3.36Å; L946-Y954 VanDerWaalsContact O-N 3.13Å; L952-Y954 VanDerWaalsContact CD1-O 3.25Å; L952-Y954 WeakPolarHBondContact CD1-O 3.29Å; Y954-A956 HydrophobicContact CE1-CB 4.48Å; Y954-Q963 HydrophobicContact CE2-CG 4.49Å; Y954-L967 HydrophobicContact CE2-CD2 4.36Å |
| 955 | S | 93.9 | Very high | 90.2 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 131.5 | 166.3 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | R944 G957 W958 Q963 | R944-S955 CarbonylContact O-C 3.59Å; R944-S955 WeakPolarHBondContact O-CA 3.42Å; S955-G957 PolarHBondContact O-N 3.41Å; S955-G957 PolarHBondContact OG-N 3.11Å; S955-W958 WeakPolarHBondContact O-CB 3.35Å; S955-W958 PolarHBondContact O-N 3.27Å; S955-Q963 PolarHBondContact O-NE2 2.83Å; S955-Q963 VanDerWaalsContact O-NE2 3.07Å |
| 956 | A | 89.1 | Confident | 90.2 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R944 Y954 Q963 | R944-A956 PolarHBondContact O-N 2.94Å; Y954-A956 HydrophobicContact CE1-CB 4.48Å; A956-Q963 PolarHBondContact O-NE2 3.33Å |
| 957 | G | 88.4 | Confident | 90.2 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 74% | 0.742 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S955 | S955-G957 PolarHBondContact O-N 3.41Å; S955-G957 PolarHBondContact OG-N 3.11Å |
| 958 | W | 92.1 | Very high | 90.3 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 16% | 0.163 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -75.3 | 159.7 | 176.9 | -74 | -10.6 | 0 | 0 | 0 | 113.3 | L952 L953 S955 K962 Q963 R966 | L952-W958 HydrophobicContact CB-CZ2 4.33Å; L952-W958 HydrophobicContact CD2-CH2 4.48Å; L952-W958 HydrophobicContact CD2-CZ2 3.54Å; L952-W958 HydrophobicContact CG-CH2 4.1Å; L952-W958 HydrophobicContact CG-CZ2 3.61Å; L953-W958 VanDerWaalsContact O-CH2 3.31Å; L953-W958 WeakPolarHBondContact O-CH2 3.45Å; L953-W958 VanDerWaalsContact O-CZ3 3.28Å; L953-W958 WeakPolarHBondContact O-CZ3 3.4Å; S955-W958 WeakPolarHBondContact O-CB 3.35Å; S955-W958 PolarHBondContact O-N 3.27Å; W958-K962 HydrophobicContact CB-CB 4.4Å; W958-K962 HydrophobicContact CB-CD 4.27Å; W958-K962 HydrophobicContact CD2-CD 3.82Å; W958-K962 HydrophobicContact CD2-CG 4.26Å; W958-K962 HydrophobicContact CE3-CD 4.14Å; W958-K962 HydrophobicContact CE3-CG 4.1Å; W958-K962 HydrophobicContact CG-CD 3.89Å; W958-K962 HydrophobicContact CG-CG 4.48Å; W958-Q963 HydrophobicContact CB-CG 4.01Å; W958-R966 VanDerWaalsContact CZ3-CD 3.46Å |
| 959 | S | 92.7 | Very high | 90.7 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | trans | -63.9 | 151 | 174.6 | 80 | 0 | 0 | 0 | 0 | 111.2 | E961 K962 Q963 | S959-E961 WeakPolarHBondContact CB-OE2 3.49Å; S959-E961 PolarHBondContact O-N 2.87Å; S959-E961 PolarHBondContact OG-OE2 3.3Å; S959-K962 PolarHBondContact O-N 3.42Å; S959-K962 PolarHBondContact OG-N 2.96Å; S959-Q963 PolarHBondContact O-N 3.39Å | ||
| 960 | P | 89.4 | Confident | 91.4 | Very high | 100 Ų | 100 | 62.9 Ų | 62.9 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.2 | -35.5 | 177.4 | -27 | 35.3 | 0 | 0 | 0 | 113.3 | Q963 A964 | P960-Q963 PolarHBondContact O-N 3.41Å; P960-A964 VanDerWaalsContact O-CB 3.29Å; P960-A964 WeakPolarHBondContact O-CB 3.45Å; P960-A964 PolarHBondContact O-N 2.76Å |
| 961 | E | 90.3 | Very high | 92 | Very high | 130 Ų | 130 | 56.5 Ų | 56.5 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 177.8 | -51.6 | 96.6 | -177.1 | 0 | 0 | 111.8 | S959 A964 Q965 | S959-E961 WeakPolarHBondContact CB-OE2 3.49Å; S959-E961 PolarHBondContact O-N 2.87Å; S959-E961 PolarHBondContact OG-OE2 3.3Å; E961-A964 PolarHBondContact O-N 2.75Å; E961-Q965 VanDerWaalsContact O-CG 3.3Å; E961-Q965 WeakPolarHBondContact O-CG 3.08Å; E961-Q965 PolarHBondContact O-N 2.86Å; E961-Q965 VanDerWaalsContact O-N 3.11Å |
| 962 | K | 89.4 | Confident | 92.2 | Very high | 80 Ų | 80 | 56.8 Ų | 56.8 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.4 | -36.1 | -179.8 | -171.7 | 175.1 | -179.2 | -176.3 | 0 | 111.9 | W958 S959 R966 | W958-K962 HydrophobicContact CB-CB 4.4Å; W958-K962 HydrophobicContact CB-CD 4.27Å; W958-K962 HydrophobicContact CD2-CD 3.82Å; W958-K962 HydrophobicContact CD2-CG 4.26Å; W958-K962 HydrophobicContact CE3-CD 4.14Å; W958-K962 HydrophobicContact CE3-CG 4.1Å; W958-K962 HydrophobicContact CG-CD 3.89Å; W958-K962 HydrophobicContact CG-CG 4.48Å; S959-K962 PolarHBondContact O-N 3.42Å; S959-K962 PolarHBondContact OG-N 2.96Å; K962-R966 PolarHBondContact O-N 3.42Å |
| 963 | Q | 88.9 | Confident | 92.2 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 19% | 0.192 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 173.4 | -70.3 | -177.5 | -5.2 | 0 | 0 | 111.2 | Y954 S955 A956 W958 S959 P960 Q965 R966 L967 | Y954-Q963 HydrophobicContact CE2-CG 4.49Å; S955-Q963 PolarHBondContact O-NE2 2.83Å; S955-Q963 VanDerWaalsContact O-NE2 3.07Å; A956-Q963 PolarHBondContact O-NE2 3.33Å; W958-Q963 HydrophobicContact CB-CG 4.01Å; S959-Q963 PolarHBondContact O-N 3.39Å; P960-Q963 PolarHBondContact O-N 3.41Å; Q963-Q965 PolarHBondContact O-N 3.03Å; Q963-R966 PolarHBondContact O-N 3.47Å; Q963-L967 HydrophobicContact CB-CD1 4.16Å; Q963-L967 WeakPolarHBondContact O-CB 3.44Å; Q963-L967 VanDerWaalsContact O-CG 3.29Å; Q963-L967 WeakPolarHBondContact O-CG 3.3Å; Q963-L967 PolarHBondContact O-N 3.34Å |
| 964 | A | 89.6 | Confident | 92.2 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 55% | 0.554 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.8 | -29.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P960 E961 P968 | P960-A964 VanDerWaalsContact O-CB 3.29Å; P960-A964 WeakPolarHBondContact O-CB 3.45Å; P960-A964 PolarHBondContact O-N 2.76Å; E961-A964 PolarHBondContact O-N 2.75Å; A964-P968 VanDerWaalsContact O-CD 3.24Å; A964-P968 WeakPolarHBondContact O-CD 3.46Å |
| 965 | Q | 91.6 | Very high | 92.1 | Very high | 136 Ų | 136 | 55.8 Ų | 55.8 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.3 | -29 | 174.7 | -73.9 | 171.6 | 10.8 | 0 | 0 | 113.9 | E961 Q963 | E961-Q965 VanDerWaalsContact O-CG 3.3Å; E961-Q965 WeakPolarHBondContact O-CG 3.08Å; E961-Q965 PolarHBondContact O-N 2.86Å; E961-Q965 VanDerWaalsContact O-N 3.11Å; Q963-Q965 PolarHBondContact O-N 3.03Å |
| 966 | R | 92.5 | Very high | 92 | Very high | 51 Ų | 51 | 59.2 Ų | 59.2 | 19% | 0.192 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -105.5 | -33.9 | -171 | -69.7 | -176.7 | 173.7 | -150.2 | 2.5 | 114.4 | L928 L952 L953 W958 K962 Q963 P968 L969 L974 | L928-R966 HydrophobicContact CD2-CB 4.37Å; L952-R966 PolarHBondContact O-NH1 3.35Å; L953-R966 PolarHBondContact O-NH1 3.43Å; W958-R966 VanDerWaalsContact CZ3-CD 3.46Å; K962-R966 PolarHBondContact O-N 3.42Å; Q963-R966 PolarHBondContact O-N 3.47Å; R966-P968 VanDerWaalsContact C-CD 3.44Å; R966-L969 WeakPolarHBondContact O-CB 3.43Å; R966-L969 PolarHBondContact O-N 2.99Å; R966-L969 VanDerWaalsContact O-N 3.15Å; R966-L974 HydrophobicContact CB-CD1 4.14Å; R966-L974 HydrophobicContact CG-CD1 3.92Å |
| 967 | L | 94.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 18% | 0.183 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -42.5 | 180 | -76.3 | 172 | 0 | 0 | 0 | 115.1 | L928 E929 L932 Y954 Q963 L969 | L928-L967 HydrophobicContact CD2-CD2 4.36Å; L928-L967 HydrophobicContact CG-CD2 4.39Å; L928-L967 PolarHBondContact N-O 2.73Å; E929-L967 HydrophobicContact CB-CB 4.19Å; E929-L967 HydrophobicContact CB-CD2 4.19Å; E929-L967 WeakPolarHBondContact CB-O 3.44Å; E929-L967 PolarHBondContact N-O 2.78Å; L932-L967 HydrophobicContact CD1-CD2 3.86Å; Y954-L967 HydrophobicContact CE2-CD2 4.36Å; Q963-L967 HydrophobicContact CB-CD1 4.16Å; Q963-L967 WeakPolarHBondContact O-CB 3.44Å; Q963-L967 VanDerWaalsContact O-CG 3.29Å; Q963-L967 WeakPolarHBondContact O-CG 3.3Å; Q963-L967 PolarHBondContact O-N 3.34Å; L967-L969 VanDerWaalsContact C-N 3.28Å; L967-L969 PolarHBondContact O-N 3.14Å |
| 968 | P | 95.8 | Very high | 92.1 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -6.6 | -178.7 | 31.2 | -35.1 | 0 | 0 | 0 | 113.8 | T927 A964 R966 | T927-P968 VanDerWaalsContact CG2-O 3.22Å; T927-P968 WeakPolarHBondContact CG2-O 3.39Å; A964-P968 VanDerWaalsContact O-CD 3.24Å; A964-P968 WeakPolarHBondContact O-CD 3.46Å; R966-P968 VanDerWaalsContact C-CD 3.44Å |
| 969 | L | 96 | Very high | 91.6 | Very high | 29 Ų | 29 | 61.6 Ų | 61.6 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -74.6 | 144.9 | 179.5 | -61.8 | 177.4 | 0 | 0 | 0 | 110.7 | T927 L928 R966 L967 L974 Q977 | T927-L969 CarbonylContact C-O 3.58Å; T927-L969 WeakPolarHBondContact CA-O 3.49Å; L928-L969 PolarHBondContact N-O 3.44Å; R966-L969 WeakPolarHBondContact O-CB 3.43Å; R966-L969 PolarHBondContact O-N 2.99Å; R966-L969 VanDerWaalsContact O-N 3.15Å; L967-L969 VanDerWaalsContact C-N 3.28Å; L967-L969 PolarHBondContact O-N 3.14Å; L969-L974 HydrophobicContact CB-CB 4.21Å; L969-L974 HydrophobicContact CD1-CD1 3.96Å; L969-Q977 VanDerWaalsContact CD1-OE1 3.28Å |
| 970 | R | 95.6 | Very high | 91.1 | Very high | 117 Ų | 117 | 62.2 Ų | 62.2 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 147.6 | 167.5 | -68.3 | -179.6 | -61.9 | 151 | -1.2 | 109.9 | E925 T972 E973 L974 | E925-R970 HydrophobicContact CB-CG 4.41Å; E925-R970 HydrophobicContact CG-CB 4.32Å; E925-R970 HydrophobicContact CG-CG 4.49Å; E925-R970 WeakPolarHBondContact OE2-CD 3.5Å; E925-R970 IonicContact OE2-NE 2.75Å; E925-R970 IonicContact OE2-NH1 2.74Å; E925-R970 PolarHBondContact OE2-NH1 3.41Å; R970-T972 PolarHBondContact O-N 3.46Å; R970-E973 HydrophobicContact CB-CB 4.02Å; R970-E973 IonicContact CZ-OE2 3.07Å; R970-E973 IonicContact NE-OE2 2.73Å; R970-E973 PolarHBondContact NE-OE2 3.43Å; R970-E973 IonicContact NH2-OE2 2.89Å; R970-E973 PolarHBondContact NH2-OE2 2.66Å; R970-E973 PolarHBondContact O-N 3.5Å; R970-L974 WeakPolarHBondContact O-CB 3.43Å; R970-L974 PolarHBondContact O-N 3.32Å |
| 971 | V | 93.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | -174 | 179.1 | 0 | 0 | 0 | 0 | 111 | E925 R926 L931 E973 L974 V975 L990 L992 Y1010 | E925-V971 PolarHBondContact OE1-N 2.88Å; R926-V971 PolarHBondContact O-N 3.45Å; L931-V971 HydrophobicContact CB-CG2 4.34Å; L931-V971 HydrophobicContact CD2-CG2 3.88Å; V971-E973 PolarHBondContact O-N 3.4Å; V971-L974 PolarHBondContact O-N 3.21Å; V971-V975 VanDerWaalsContact O-CG2 3.28Å; V971-V975 WeakPolarHBondContact O-CG2 3.25Å; V971-V975 PolarHBondContact O-N 3.09Å; V971-L990 HydrophobicContact CG1-CD2 3.64Å; V971-L992 HydrophobicContact CG1-CD1 4.18Å; V971-Y1010 HydrophobicContact CB-CD1 4.32Å; V971-Y1010 HydrophobicContact CB-CE1 3.73Å; V971-Y1010 HydrophobicContact CB-CE2 4.48Å; V971-Y1010 HydrophobicContact CG1-CD1 4.09Å; V971-Y1010 HydrophobicContact CG1-CE1 4.02Å; V971-Y1010 HydrophobicContact CG2-CE1 4.18Å; V971-Y1010 HydrophobicContact CG2-CE2 4.05Å |
| 972 | T | 92.3 | Very high | 89.8 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.3 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | E925 R970 V975 Q976 L983 L1012 | E925-T972 VanDerWaalsContact OE1-CB 3.26Å; E925-T972 WeakPolarHBondContact OE1-CB 3.12Å; E925-T972 WeakPolarHBondContact OE1-CG2 2.88Å; E925-T972 PolarHBondContact OE1-N 3.4Å; E925-T972 PolarHBondContact OE1-OG1 3.13Å; E925-T972 PolarHBondContact OE2-OG1 3.2Å; R970-T972 PolarHBondContact O-N 3.46Å; T972-V975 PolarHBondContact O-N 3.27Å; T972-Q976 PolarHBondContact O-N 3.18Å; T972-L983 VanDerWaalsContact CB-CD1 3.49Å; T972-L983 HydrophobicContact CG2-CD1 3.51Å; T972-L1012 HydrophobicContact CG2-CD1 4.2Å; T972-L1012 HydrophobicContact CG2-CD2 3.33Å; T972-L1012 HydrophobicContact CG2-CG 4.42Å |
| 973 | E | 93.3 | Very high | 89.3 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 29% | 0.29 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.2 | -178.1 | 176.6 | 167.8 | 0 | 0 | 111.3 | R970 V971 Q976 Q977 | R970-E973 HydrophobicContact CB-CB 4.02Å; R970-E973 IonicContact CZ-OE2 3.07Å; R970-E973 IonicContact NE-OE2 2.73Å; R970-E973 PolarHBondContact NE-OE2 3.43Å; R970-E973 IonicContact NH2-OE2 2.89Å; R970-E973 PolarHBondContact NH2-OE2 2.66Å; R970-E973 PolarHBondContact O-N 3.5Å; V971-E973 PolarHBondContact O-N 3.4Å; E973-Q976 PolarHBondContact O-N 2.74Å; E973-Q977 WeakPolarHBondContact O-CB 3.14Å; E973-Q977 VanDerWaalsContact O-CG 3.31Å; E973-Q977 WeakPolarHBondContact O-CG 3.49Å; E973-Q977 PolarHBondContact O-N 3.05Å; E973-Q977 PolarHBondContact OE1-NE2 3.22Å |
| 974 | L | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.5 | 177.3 | 64.3 | 0 | 0 | 0 | 111.6 | L928 L953 R966 L969 R970 V971 Q976 Q977 V978 | L928-L974 HydrophobicContact CB-CD2 4.25Å; L928-L974 HydrophobicContact CD1-CD2 4.38Å; L928-L974 HydrophobicContact CD2-CD2 3.67Å; L928-L974 HydrophobicContact CG-CD2 4.31Å; L953-L974 HydrophobicContact CB-CD2 4.05Å; L953-L974 HydrophobicContact CD2-CG 4.38Å; R966-L974 HydrophobicContact CB-CD1 4.14Å; R966-L974 HydrophobicContact CG-CD1 3.92Å; L969-L974 HydrophobicContact CB-CB 4.21Å; L969-L974 HydrophobicContact CD1-CD1 3.96Å; R970-L974 WeakPolarHBondContact O-CB 3.43Å; R970-L974 PolarHBondContact O-N 3.32Å; V971-L974 PolarHBondContact O-N 3.21Å; L974-Q976 PolarHBondContact O-N 3.15Å; L974-Q977 PolarHBondContact O-N 3.08Å; L974-V978 HydrophobicContact CD1-CG2 3.93Å; L974-V978 HydrophobicContact CG-CG2 4.42Å; L974-V978 VanDerWaalsContact O-CG2 3.28Å; L974-V978 WeakPolarHBondContact O-CG2 3.35Å; L974-V978 PolarHBondContact O-N 3.14Å |
| 975 | V | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 110 | L953 V971 T972 Q977 V978 T979 L983 L990 | L953-V975 HydrophobicContact CD1-CG2 3.85Å; L953-V975 HydrophobicContact CD2-CG2 4.04Å; V971-V975 VanDerWaalsContact O-CG2 3.28Å; V971-V975 WeakPolarHBondContact O-CG2 3.25Å; V971-V975 PolarHBondContact O-N 3.09Å; T972-V975 PolarHBondContact O-N 3.27Å; V975-Q977 VanDerWaalsContact C-N 3.3Å; V975-Q977 PolarHBondContact O-N 2.94Å; V975-V978 PolarHBondContact O-N 2.81Å; V975-V978 VanDerWaalsContact O-N 3.13Å; V975-T979 HydrophobicContact CG1-CG2 4.19Å; V975-T979 WeakPolarHBondContact O-CG2 3.32Å; V975-T979 PolarHBondContact O-N 3.25Å; V975-T979 PolarHBondContact O-OG1 3.02Å; V975-L983 HydrophobicContact CG1-CD2 4.11Å; V975-L990 HydrophobicContact CG1-CD1 4.39Å; V975-L990 HydrophobicContact CG2-CD1 4.29Å; V975-L990 HydrophobicContact CG2-CD2 3.73Å |
| 976 | Q | 91.6 | Very high | 86.2 | Confident | 88 Ų | 88 | 62 Ų | 62 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 179.9 | -175.7 | 172.7 | 8.1 | 0 | 0 | 112.2 | T972 E973 L974 G980 | T972-Q976 PolarHBondContact O-N 3.18Å; E973-Q976 PolarHBondContact O-N 2.74Å; L974-Q976 PolarHBondContact O-N 3.15Å; Q976-G980 VanDerWaalsContact O-CA 3.3Å; Q976-G980 WeakPolarHBondContact O-CA 3.21Å; Q976-G980 PolarHBondContact O-N 3.18Å |
| 977 | Q | 91.3 | Very high | 85.4 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 176.2 | -74.7 | -178.2 | 19.2 | 0 | 0 | 113 | L969 E973 L974 V975 | L969-Q977 VanDerWaalsContact CD1-OE1 3.28Å; E973-Q977 WeakPolarHBondContact O-CB 3.14Å; E973-Q977 VanDerWaalsContact O-CG 3.31Å; E973-Q977 WeakPolarHBondContact O-CG 3.49Å; E973-Q977 PolarHBondContact O-N 3.05Å; E973-Q977 PolarHBondContact OE1-NE2 3.22Å; L974-Q977 PolarHBondContact O-N 3.08Å; V975-Q977 VanDerWaalsContact C-N 3.3Å; V975-Q977 PolarHBondContact O-N 2.94Å |
| 978 | V | 88.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 29% | 0.285 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -83.8 | -39.7 | -176.2 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | A951 L953 L974 V975 | A951-V978 HydrophobicContact CB-CG1 3.96Å; L953-V978 HydrophobicContact CD2-CB 4.29Å; L953-V978 HydrophobicContact CD2-CG2 4.36Å; L974-V978 HydrophobicContact CD1-CG2 3.93Å; L974-V978 HydrophobicContact CG-CG2 4.42Å; L974-V978 VanDerWaalsContact O-CG2 3.28Å; L974-V978 WeakPolarHBondContact O-CG2 3.35Å; L974-V978 PolarHBondContact O-N 3.14Å; V975-V978 PolarHBondContact O-N 2.81Å; V975-V978 VanDerWaalsContact O-N 3.13Å |
| 979 | T | 83.1 | Confident | 84.3 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -90.6 | -19.7 | -176.6 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | A951 V975 Q981 | A951-T979 HydrophobicContact CB-CG2 3.8Å; V975-T979 HydrophobicContact CG1-CG2 4.19Å; V975-T979 WeakPolarHBondContact O-CG2 3.32Å; V975-T979 PolarHBondContact O-N 3.25Å; V975-T979 PolarHBondContact O-OG1 3.02Å; T979-Q981 PolarHBondContact O-N 2.84Å; T979-Q981 PolarHBondContact OG1-N 3.33Å; T979-Q981 VanDerWaalsContact OG1-N 3.14Å |
| 980 | G | 81.7 | Confident | 84 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 68% | 0.68 | 37% | 0.373 | S | S | * | . | trans | 68.8 | 5.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q976 | Q976-G980 VanDerWaalsContact O-CA 3.3Å; Q976-G980 WeakPolarHBondContact O-CA 3.21Å; Q976-G980 PolarHBondContact O-N 3.18Å | ||
| 981 | Q | 75.6 | Confident | 83.6 | Confident | 132 Ų | 132 | 62.1 Ų | 62.1 | 62% | 0.617 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -97.5 | 129.4 | -177.8 | -63.9 | -177.8 | -6.2 | 0 | 0 | 110.9 | T979 | T979-Q981 PolarHBondContact O-N 2.84Å; T979-Q981 PolarHBondContact OG1-N 3.33Å; T979-Q981 VanDerWaalsContact OG1-N 3.14Å |
| 982 | V | 76.9 | Confident | 83.6 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 70% | 0.703 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 126.8 | 170.6 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | A984 | V982-A984 PolarHBondContact O-N 3.17Š|
| 983 | L | 77.6 | Confident | 83.5 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 135.9 | 177.3 | -63.7 | 173.9 | 0 | 0 | 0 | 110.5 | T972 V975 L987 L990 | T972-L983 VanDerWaalsContact CB-CD1 3.49Å; T972-L983 HydrophobicContact CG2-CD1 3.51Å; V975-L983 HydrophobicContact CG1-CD2 4.11Å; L983-L987 HydrophobicContact CB-CD2 4.31Å; L983-L987 HydrophobicContact CD2-CD2 3.9Å; L983-L990 HydrophobicContact CD2-CD1 4.1Å |
| 984 | A | 69.5 | Low | 83.5 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 139.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V982 G986 L987 | V982-A984 PolarHBondContact O-N 3.17Å; A984-G986 PolarHBondContact O-N 3.08Å; A984-L987 WeakPolarHBondContact O-CB 3.17Å; A984-L987 PolarHBondContact O-N 2.98Å; A984-L987 VanDerWaalsContact O-N 3.15Å |
| 985 | P | 66.6 | Low | 83.4 | Confident | 131 Ų | 131 | 64.7 Ų | 64.7 | 85% | 0.851 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 123.6 | 173.8 | -21.2 | 31.4 | 0 | 0 | 0 | 111.1 | ||
| 986 | G | 68.8 | Low | 83.3 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 61% | 0.608 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 7.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A984 R988 | A984-G986 PolarHBondContact O-N 3.08Å; G986-R988 PolarHBondContact O-N 2.77Å |
| 987 | L | 75.7 | Confident | 83.1 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | trans | -56.2 | 124.2 | 168.3 | -174 | 69.8 | 0 | 0 | 0 | 109.9 | D526 L983 A984 V989 L990 L1012 | D526-L987 VanDerWaalsContact OD2-CD1 3.32Å; D526-L987 WeakPolarHBondContact OD2-CD1 3.19Å; L983-L987 HydrophobicContact CB-CD2 4.31Å; L983-L987 HydrophobicContact CD2-CD2 3.9Å; A984-L987 WeakPolarHBondContact O-CB 3.17Å; A984-L987 PolarHBondContact O-N 2.98Å; A984-L987 VanDerWaalsContact O-N 3.15Å; L987-V989 WeakPolarHBondContact CD1-O 3.17Å; L987-L990 HydrophobicContact CD2-CD1 4.44Å; L987-L1012 HydrophobicContact CB-CD1 4.24Å; L987-L1012 HydrophobicContact CD2-CD1 3.77Å; L987-L1012 HydrophobicContact CG-CD1 3.95Å | ||
| 988 | R | 81.5 | Confident | 82.6 | Confident | 196 Ų | 196 | 63.1 Ų | 63.1 | 74% | 0.74 | 38% | 0.383 | S | S | * | . | trans | -100.8 | -27.3 | -177.1 | -61.5 | -174.8 | -176.1 | -177.5 | 1.7 | 113.2 | G986 E1011 L1012 | G986-R988 PolarHBondContact O-N 2.77Å; R988-E1011 CarbonylContact O-C 3.48Å; R988-E1011 WeakPolarHBondContact O-CA 3.47Å; R988-L1012 PolarHBondContact O-N 3.33Å | ||
| 989 | V | 86.8 | Confident | 82.3 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129.5 | -175.7 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | L987 V991 H1009 Y1010 E1011 | L987-V989 WeakPolarHBondContact CD1-O 3.17Å; V989-V991 HydrophobicContact CG1-CG2 3.99Å; V989-H1009 HydrophobicContact CG1-CB 3.58Å; V989-Y1010 WeakPolarHBondContact CA-O 3.46Å; V989-E1011 HydrophobicContact CG2-CG 4.35Å |
| 990 | L | 88.5 | Confident | 82 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 118 | 166.9 | -177.8 | 81.3 | 0 | 0 | 0 | 108.1 | V971 V975 L983 L987 L992 Y1010 L1012 | V971-L990 HydrophobicContact CG1-CD2 3.64Å; V975-L990 HydrophobicContact CG1-CD1 4.39Å; V975-L990 HydrophobicContact CG2-CD1 4.29Å; V975-L990 HydrophobicContact CG2-CD2 3.73Å; L983-L990 HydrophobicContact CD2-CD1 4.1Å; L987-L990 HydrophobicContact CD2-CD1 4.44Å; L990-L992 HydrophobicContact CD2-CD1 4.4Å; L990-L992 HydrophobicContact CD2-CD2 3.85Å; L990-L992 HydrophobicContact CD2-CG 4.26Å; L990-L992 HydrophobicContact CG-CD2 4.1Å; L990-L992 HydrophobicContact CG-CG 4.46Å; L990-Y1010 HydrophobicContact CB-CD1 4.27Å; L990-Y1010 HydrophobicContact CD2-CD1 4.27Å; L990-Y1010 PolarHBondContact N-O 3.24Å; L990-Y1010 WeakPolarHBondContact O-CB 3.3Å; L990-Y1010 PolarHBondContact O-N 3.41Å; L990-L1012 HydrophobicContact CB-CD2 4.5Å; L990-L1012 HydrophobicContact CB-CG 4.49Å |
| 991 | V | 88.7 | Confident | 81.2 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 18% | 0.176 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.3 | 179.4 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | H554 H948 V989 P1007 L1008 | H554-V991 WeakPolarHBondContact CE1-CG2 3.49Å; H948-V991 PolarHBondContact ND1-O 2.96Å; V989-V991 HydrophobicContact CG1-CG2 3.99Å; V991-P1007 HydrophobicContact CG1-CB 3.85Å; V991-L1008 WeakPolarHBondContact CA-O 3.45Å |
| 992 | L | 92.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.2 | -177.9 | -57.5 | 178.8 | 0 | 0 | 0 | 109.9 | L931 L946 L947 H948 L953 V971 L990 L1008 | L931-L992 HydrophobicContact CD2-CD1 3.96Å; L946-L992 HydrophobicContact CD1-CB 4.09Å; L946-L992 HydrophobicContact CD1-CD1 4.39Å; L946-L992 HydrophobicContact CD2-CD1 4.16Å; L946-L992 HydrophobicContact CG-CD1 4.42Å; L947-L992 CarbonylContact O-C 3.55Å; L947-L992 VanDerWaalsContact O-CA 3.25Å; L947-L992 WeakPolarHBondContact O-CA 3.36Å; H948-L992 HydrophobicContact CB-CD2 3.79Å; L953-L992 HydrophobicContact CD1-CD2 3.57Å; V971-L992 HydrophobicContact CG1-CD1 4.18Å; L990-L992 HydrophobicContact CD2-CD1 4.4Å; L990-L992 HydrophobicContact CD2-CD2 3.85Å; L990-L992 HydrophobicContact CD2-CG 4.26Å; L990-L992 HydrophobicContact CG-CD2 4.1Å; L990-L992 HydrophobicContact CG-CG 4.46Å; L992-L1008 HydrophobicContact CB-CB 4.11Å; L992-L1008 HydrophobicContact CB-CD2 4.16Å; L992-L1008 HydrophobicContact CB-CG 4.33Å; L992-L1008 HydrophobicContact CD1-CD2 4.01Å; L992-L1008 PolarHBondContact N-O 3.07Å; L992-L1008 PolarHBondContact O-N 2.93Å |
| 993 | E | 91.4 | Very high | 80.7 | Confident | 114 Ų | 114 | 72.6 Ų | 72.6 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.7 | 172.5 | -65.7 | -179.6 | -178.6 | 0 | 0 | 108.9 | L946 L947 | L946-E993 CarbonylContact C-O 3.57Å; L946-E993 WeakPolarHBondContact CA-O 3.42Å; L947-E993 HydrophobicContact CB-CB 4.38Å; L947-E993 PolarHBondContact N-O 3.41Å; L947-E993 PolarHBondContact O-N 2.77Å |
| 994 | L | 92.3 | Very high | 80.9 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149 | -177.7 | 67.7 | 90.9 | 0 | 0 | 0 | 111.4 | L917 L935 L941 V943 M945 L946 C996 F1005 L1008 | L917-L994 HydrophobicContact CD1-CD2 4.08Å; L935-L994 HydrophobicContact CD1-CD2 4.49Å; L941-L994 HydrophobicContact CD1-CD1 4.46Å; V943-L994 HydrophobicContact CG1-CB 4.49Å; M945-L994 VanDerWaalsContact O-CA 3.31Å; M945-L994 WeakPolarHBondContact O-CA 3.45Å; L946-L994 HydrophobicContact CD1-CB 3.88Å; L994-C996 WeakPolarHBondContact CD1-SG 3.21Å; L994-F1005 HydrophobicContact CD1-CB 3.68Å; L994-F1005 HydrophobicContact CD1-CD1 3.81Å; L994-F1005 HydrophobicContact CD1-CD2 4.1Å; L994-F1005 HydrophobicContact CD1-CG 3.57Å; L994-F1005 HydrophobicContact CG-CB 4.17Å; L994-L1008 HydrophobicContact CD2-CB 4.08Å; L994-L1008 HydrophobicContact CD2-CD2 4.45Å |
| 995 | S | 91 | Very high | 81.7 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 8% | 0.077 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146 | 169.6 | 118.7 | 0 | 0 | 0 | 0 | 107.6 | V943 R944 M945 E999 | V943-S995 CarbonylContact C-O 3.46Å; V943-S995 WeakPolarHBondContact CA-O 3.22Å; R944-S995 PolarHBondContact N-O 3.28Å; M945-S995 PolarHBondContact N-O 2.82Å; M945-S995 PolarHBondContact O-N 2.98Å; S995-E999 WeakPolarHBondContact CA-OE2 3.19Å; S995-E999 WeakPolarHBondContact CB-OE1 3.12Å; S995-E999 VanDerWaalsContact CB-OE2 3.29Å; S995-E999 WeakPolarHBondContact CB-OE2 3.35Å; S995-E999 PolarHBondContact OG-OE1 3.29Å |
| 996 | C | 90.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.8 | -173.2 | -68.3 | 0 | 0 | 0 | 0 | 113.3 | F906 R942 L994 G998 E999 F1005 | F906-C996 HydrophobicContact CE1-CB 4.28Å; F906-C996 HydrophobicContact CZ-CB 4.3Å; R942-C996 CarbonylContact O-C 3.56Å; R942-C996 WeakPolarHBondContact O-CA 3.4Å; R942-C996 WeakPolarHBondContact O-CB 3.48Å; L994-C996 WeakPolarHBondContact CD1-SG 3.21Å; C996-G998 PolarHBondContact O-N 2.89Å; C996-E999 PolarHBondContact N-OE2 3.19Å; C996-E999 WeakPolarHBondContact O-CB 3.37Å; C996-E999 VanDerWaalsContact O-CD 3.23Å; C996-E999 VanDerWaalsContact O-CG 3.23Å; C996-E999 WeakPolarHBondContact O-CG 3.36Å; C996-E999 PolarHBondContact O-N 3.37Å; C996-F1005 HydrophobicContact CB-CE1 4.36Å; C996-F1005 HydrophobicContact CB-CE2 3.8Å; C996-F1005 HydrophobicContact CB-CZ 3.61Å |
| 997 | E | 87.3 | Confident | 83.8 | Confident | 100 Ų | 100 | 64 Ų | 64 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 131.2 | 170.7 | -64.9 | -176 | 165.5 | 0 | 0 | 111 | F906 R942 R944 | F906-E997 WeakPolarHBondContact CZ-O 3.37Å; R942-E997 HydrophobicContact CB-CB 4.09Å; R942-E997 HydrophobicContact CB-CG 4.18Å; R942-E997 VanDerWaalsContact CD-OE2 3.32Å; R942-E997 WeakPolarHBondContact CD-OE2 3.3Å; R942-E997 PolarHBondContact O-N 3.17Å; R944-E997 HydrophobicContact CB-CG 4.46Å |
| 998 | G | 81 | Confident | 84.7 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C996 | C996-G998 PolarHBondContact O-N 2.89Š|
| 999 | E | 82.3 | Confident | 85.2 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | trans | -65.1 | 139 | 171.6 | 75.6 | -165.1 | 163.1 | 0 | 0 | 111.7 | F906 S995 C996 T1003 F1005 | F906-E999 HydrophobicContact CE2-CB 4.46Å; S995-E999 WeakPolarHBondContact CA-OE2 3.19Å; S995-E999 WeakPolarHBondContact CB-OE1 3.12Å; S995-E999 VanDerWaalsContact CB-OE2 3.29Å; S995-E999 WeakPolarHBondContact CB-OE2 3.35Å; S995-E999 PolarHBondContact OG-OE1 3.29Å; C996-E999 PolarHBondContact N-OE2 3.19Å; C996-E999 WeakPolarHBondContact O-CB 3.37Å; C996-E999 VanDerWaalsContact O-CD 3.23Å; C996-E999 VanDerWaalsContact O-CG 3.23Å; C996-E999 WeakPolarHBondContact O-CG 3.36Å; C996-E999 PolarHBondContact O-N 3.37Å; E999-T1003 HydrophobicContact CB-CG2 4.45Å; E999-F1005 HydrophobicContact CB-CE2 3.94Å; E999-F1005 WeakPolarHBondContact OE2-CE2 3.34Å | ||
| 1000 | E | 76.1 | Confident | 85.5 | Confident | 154 Ų | 154 | 51.9 Ų | 51.9 | 72% | 0.72 | 28% | 0.284 | S | S | * | . | trans | -78.7 | 158 | 170.1 | -62 | -178.5 | 176.5 | 0 | 0 | 109.8 | D1002 T1003 | E1000-D1002 PolarHBondContact O-N 3.23Å; E1000-T1003 PolarHBondContact N-OG1 3.46Å; E1000-T1003 VanDerWaalsContact N-OG1 3.13Å; E1000-T1003 WeakPolarHBondContact O-CB 3.42Å; E1000-T1003 PolarHBondContact O-N 3.49Å; E1000-T1003 PolarHBondContact O-OG1 2.93Å; E1000-T1003 VanDerWaalsContact O-OG1 3.11Å | ||
| 1001 | E | 64.9 | Low | 85.6 | Confident | 208 Ų | 208 | 55.3 Ų | 55.3 | 97% | 0.972 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -28.9 | -175.2 | -76.8 | -173.5 | 158.5 | 0 | 0 | 114.1 | ||
| 1002 | D | 66.8 | Low | 85.6 | Confident | 158 Ų | 158 | 58.6 Ų | 58.6 | 85% | 0.845 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 7.2 | -178.9 | -66.6 | -32.2 | 0 | 0 | 0 | 114.3 | E1000 A1004 | E1000-D1002 PolarHBondContact O-N 3.23Å; D1002-A1004 PolarHBondContact O-N 3.06Å |
| 1003 | T | 76.2 | Confident | 85.3 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | trans | -78.1 | 115.1 | -178.4 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | W911 E999 E1000 F1005 | W911-T1003 HydrophobicContact CH2-CG2 4.47Å; W911-T1003 HydrophobicContact CZ2-CG2 4.3Å; E999-T1003 HydrophobicContact CB-CG2 4.45Å; E1000-T1003 PolarHBondContact N-OG1 3.46Å; E1000-T1003 VanDerWaalsContact N-OG1 3.13Å; E1000-T1003 WeakPolarHBondContact O-CB 3.42Å; E1000-T1003 PolarHBondContact O-N 3.49Å; E1000-T1003 PolarHBondContact O-OG1 2.93Å; E1000-T1003 VanDerWaalsContact O-OG1 3.11Å; T1003-F1005 HydrophobicContact CG2-CD2 4.15Å; T1003-F1005 HydrophobicContact CG2-CE2 3.75Å; T1003-F1005 HydrophobicContact CG2-CZ 4.13Å | ||
| 1004 | A | 80.2 | Confident | 84.9 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | trans | -110.1 | 101.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q904 W911 D1002 | Q904-A1004 PolarHBondContact NE2-O 3.44Å; Q904-A1004 PolarHBondContact OE1-O 3.18Å; Q904-A1004 VanDerWaalsContact OE1-O 3.1Å; W911-A1004 PolarHBondContact NE1-O 2.94Å; D1002-A1004 PolarHBondContact O-N 3.06Å | ||
| 1005 | F | 86.9 | Confident | 84.5 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 148.4 | 177.5 | -77.1 | -86.4 | 0 | 0 | 0 | 112.2 | F906 W911 L941 L994 C996 E999 T1003 | F906-F1005 HydrophobicContact CB-CE1 4.14Å; F906-F1005 HydrophobicContact CB-CZ 4.22Å; F906-F1005 AromaticContact CD1-CE1 3.62Å; F906-F1005 HydrophobicContact CD1-CE1 3.62Å; F906-F1005 AromaticContact CD1-CZ 3.53Å; F906-F1005 HydrophobicContact CD1-CZ 3.53Å; F906-F1005 AromaticContact CD2-CZ 3.94Å; F906-F1005 HydrophobicContact CD2-CZ 3.94Å; F906-F1005 HydrophobicContact CE1-CE1 4.15Å; F906-F1005 AromaticContact CE1-CZ 3.75Å; F906-F1005 HydrophobicContact CE1-CZ 3.75Å; F906-F1005 HydrophobicContact CE2-CZ 4.16Å; F906-F1005 AromaticContact CG-CE1 3.89Å; F906-F1005 HydrophobicContact CG-CE1 3.89Å; F906-F1005 AromaticContact CG-CZ 3.63Å; F906-F1005 HydrophobicContact CG-CZ 3.63Å; F906-F1005 HydrophobicContact CZ-CZ 4.07Å; W911-F1005 AromaticContact CH2-CD1 3.69Å; W911-F1005 HydrophobicContact CH2-CD1 3.69Å; W911-F1005 AromaticContact CH2-CE1 3.67Å; W911-F1005 HydrophobicContact CH2-CE1 3.67Å; W911-F1005 HydrophobicContact CH2-CG 4.43Å; W911-F1005 HydrophobicContact CH2-CZ 4.39Å; W911-F1005 AromaticContact CZ2-CD1 3.96Å; W911-F1005 HydrophobicContact CZ2-CD1 3.96Å; W911-F1005 HydrophobicContact CZ2-CE1 4.32Å; W911-F1005 HydrophobicContact CZ2-CG 4.3Å; W911-F1005 HydrophobicContact CZ3-CD1 4.47Å; W911-F1005 HydrophobicContact CZ3-CE1 4.41Å; L941-F1005 HydrophobicContact CD2-CD1 4.34Å; L941-F1005 HydrophobicContact CD2-CE1 3.63Å; L941-F1005 HydrophobicContact CD2-CZ 4.42Å; L994-F1005 HydrophobicContact CD1-CB 3.68Å; L994-F1005 HydrophobicContact CD1-CD1 3.81Å; L994-F1005 HydrophobicContact CD1-CD2 4.1Å; L994-F1005 HydrophobicContact CD1-CG 3.57Å; L994-F1005 HydrophobicContact CG-CB 4.17Å; C996-F1005 HydrophobicContact CB-CE1 4.36Å; C996-F1005 HydrophobicContact CB-CE2 3.8Å; C996-F1005 HydrophobicContact CB-CZ 3.61Å; E999-F1005 HydrophobicContact CB-CE2 3.94Å; E999-F1005 WeakPolarHBondContact OE2-CE2 3.34Å; T1003-F1005 HydrophobicContact CG2-CD2 4.15Å; T1003-F1005 HydrophobicContact CG2-CE2 3.75Å; T1003-F1005 HydrophobicContact CG2-CZ 4.13Å |
| 1006 | P | 89.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 142.2 | 174.1 | 30.9 | -33.3 | 0 | 0 | 0 | 108.8 | W911 D915 L917 | W911-P1006 HydrophobicContact CB-CG 4.43Å; W911-P1006 HydrophobicContact CD2-CG 4.23Å; W911-P1006 VanDerWaalsContact CE2-CD 3.49Å; W911-P1006 HydrophobicContact CG-CB 4.3Å; W911-P1006 HydrophobicContact CG-CG 4.02Å; D915-P1006 VanDerWaalsContact O-CB 3.22Å; D915-P1006 WeakPolarHBondContact O-CB 3.46Å; L917-P1006 HydrophobicContact CD1-CG 3.81Å; L917-P1006 HydrophobicContact CG-CG 3.74Å |
| 1007 | P | 90.3 | Very high | 83.8 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 20% | 0.195 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 143.9 | 178.9 | 18.9 | -22.5 | 0 | 0 | 0 | 110.5 | L917 V991 | L917-P1007 PolarHBondContact N-O 3.07Å; L917-P1007 VanDerWaalsContact N-O 3.08Å; V991-P1007 HydrophobicContact CG1-CB 3.85Å |
| 1008 | L | 93.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 112.5 | 179.3 | 170.3 | 66.2 | 0 | 0 | 0 | 109.3 | L917 V919 L931 L935 L946 V991 L992 L994 Y1010 | L917-L1008 HydrophobicContact CB-CD1 3.97Å; L917-L1008 CarbonylContact O-C 3.55Å; L917-L1008 WeakPolarHBondContact O-CA 3.45Å; V919-L1008 HydrophobicContact CB-CD1 3.93Å; V919-L1008 HydrophobicContact CG2-CD1 3.44Å; V919-L1008 VanDerWaalsContact CG2-CD1 3.44Å; L931-L1008 HydrophobicContact CD1-CD2 4.22Å; L931-L1008 HydrophobicContact CD2-CD2 4.27Å; L935-L1008 HydrophobicContact CD1-CD2 3.97Å; L935-L1008 HydrophobicContact CD2-CD1 4.1Å; L935-L1008 HydrophobicContact CD2-CD2 4.36Å; L946-L1008 HydrophobicContact CD1-CD2 4.24Å; V991-L1008 WeakPolarHBondContact CA-O 3.45Å; L992-L1008 HydrophobicContact CB-CB 4.11Å; L992-L1008 HydrophobicContact CB-CD2 4.16Å; L992-L1008 HydrophobicContact CB-CG 4.33Å; L992-L1008 HydrophobicContact CD1-CD2 4.01Å; L992-L1008 PolarHBondContact N-O 3.07Å; L992-L1008 PolarHBondContact O-N 2.93Å; L994-L1008 HydrophobicContact CD2-CB 4.08Å; L994-L1008 HydrophobicContact CD2-CD2 4.45Å; L1008-Y1010 PolarHBondContact O-N 3.17Å |
| 1009 | H | 92.5 | Very high | 83.7 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 12% | 0.116 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 99.9 | 171.5 | -76.5 | -146.1 | 0 | 0 | 0 | 108.7 | R916 L917 K918 V919 V989 E1011 | R916-H1009 WeakPolarHBondContact CD-NE2 3.35Å; R916-H1009 PolarHBondContact NE-NE2 2.79Å; L917-H1009 PolarHBondContact O-N 2.8Å; K918-H1009 WeakPolarHBondContact CA-O 3.34Å; K918-H1009 HydrophobicContact CG-CB 4.33Å; V919-H1009 PolarHBondContact N-O 3.43Å; V989-H1009 HydrophobicContact CG1-CB 3.58Å; H1009-E1011 PolarHBondContact O-N 3.46Å |
| 1010 | Y | 93.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 103.3 | 173.7 | -175.3 | -103.3 | 0 | 0 | 0 | 109.5 | V919 A921 E925 R926 L931 V971 V989 L990 L1008 L1012 | V919-Y1010 HydrophobicContact CG1-CD2 4.4Å; V919-Y1010 CarbonylContact O-C 3.55Å; V919-Y1010 VanDerWaalsContact O-CA 3.29Å; V919-Y1010 WeakPolarHBondContact O-CA 3.23Å; A921-Y1010 VanDerWaalsContact CA-CZ 3.44Å; A921-Y1010 WeakPolarHBondContact CA-OH 3.15Å; A921-Y1010 HydrophobicContact CB-CD1 4.42Å; A921-Y1010 HydrophobicContact CB-CE1 3.65Å; A921-Y1010 HydrophobicContact CB-CE2 4.33Å; E925-Y1010 VanDerWaalsContact CG-OH 3.3Å; E925-Y1010 WeakPolarHBondContact CG-OH 3.36Å; R926-Y1010 HydrophobicContact CB-CE2 4.43Å; R926-Y1010 PolarHBondContact N-OH 2.63Å; R926-Y1010 PolarHBondContact O-OH 2.95Å; L931-Y1010 HydrophobicContact CD1-CD2 4.04Å; L931-Y1010 HydrophobicContact CD1-CE2 4.2Å; L931-Y1010 HydrophobicContact CD2-CD2 4.36Å; V971-Y1010 HydrophobicContact CB-CD1 4.32Å; V971-Y1010 HydrophobicContact CB-CE1 3.73Å; V971-Y1010 HydrophobicContact CB-CE2 4.48Å; V971-Y1010 HydrophobicContact CG1-CD1 4.09Å; V971-Y1010 HydrophobicContact CG1-CE1 4.02Å; V971-Y1010 HydrophobicContact CG2-CE1 4.18Å; V971-Y1010 HydrophobicContact CG2-CE2 4.05Å; V989-Y1010 WeakPolarHBondContact CA-O 3.46Å; L990-Y1010 HydrophobicContact CB-CD1 4.27Å; L990-Y1010 HydrophobicContact CD2-CD1 4.27Å; L990-Y1010 PolarHBondContact N-O 3.24Å; L990-Y1010 WeakPolarHBondContact O-CB 3.3Å; L990-Y1010 PolarHBondContact O-N 3.41Å; L1008-Y1010 PolarHBondContact O-N 3.17Å; Y1010-L1012 HydrophobicContact CD1-CD2 3.64Å; Y1010-L1012 HydrophobicContact CE1-CD2 3.64Å; Y1010-L1012 PolarHBondContact O-N 3.45Å |
| 1011 | E | 91.4 | Very high | 84.5 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.4 | -170.3 | -56.4 | -179.5 | 158 | 0 | 0 | 110.6 | V919 P920 A921 R988 V989 H1009 | V919-E1011 PolarHBondContact O-N 2.97Å; P920-E1011 CarbonylContact C-O 3.44Å; A921-E1011 WeakPolarHBondContact CB-O 3.29Å; A921-E1011 PolarHBondContact N-O 2.94Å; R988-E1011 CarbonylContact O-C 3.48Å; R988-E1011 WeakPolarHBondContact O-CA 3.47Å; V989-E1011 HydrophobicContact CG2-CG 4.35Å; H1009-E1011 PolarHBondContact O-N 3.46Å |
| 1012 | L | 87.4 | Confident | 86.2 | Confident | 98 Ų | 98 | 46.2 Ų | 46.2 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | trans | -74 | 0 | -169.7 | -65.2 | 179.8 | 0 | 0 | 0 | 114.8 | A921 T972 L987 R988 L990 Y1010 | A921-L1012 HydrophobicContact CB-CD2 4.42Å; T972-L1012 HydrophobicContact CG2-CD1 4.2Å; T972-L1012 HydrophobicContact CG2-CD2 3.33Å; T972-L1012 HydrophobicContact CG2-CG 4.42Å; L987-L1012 HydrophobicContact CB-CD1 4.24Å; L987-L1012 HydrophobicContact CD2-CD1 3.77Å; L987-L1012 HydrophobicContact CG-CD1 3.95Å; R988-L1012 PolarHBondContact O-N 3.33Å; L990-L1012 HydrophobicContact CB-CD2 4.5Å; L990-L1012 HydrophobicContact CB-CG 4.49Å; Y1010-L1012 HydrophobicContact CD1-CD2 3.64Å; Y1010-L1012 HydrophobicContact CE1-CD2 3.64Å; Y1010-L1012 PolarHBondContact O-N 3.45Å |
Retrieved 1,012 of 1,012 residues in 328.4 ms
(Link to these results)