| 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 | 27.7 | Very low | 57.5 | Low | 246 Ų | 246 | 100.2 Ų | 100.2 | 100% | 1.212 | 60% | 0.598 | S | S | * | * | 0 | 124.2 | 0 | -68.7 | 169.6 | 174.6 | 0 | 0 | 108 | |||||
| 2 | M | 34.9 | Very low | 59.7 | Low | 139 Ų | 139 | 93.3 Ų | 93.3 | 69% | 0.685 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 141.1 | 158.9 | -67.2 | -171.6 | -174.7 | 0 | 0 | 107.9 | A4 P120 | M2-A4 PolarHBondContact O-N 3.46Å; M2-P120 HydrophobicContact CE-CB 3.95Å; M2-P120 HydrophobicContact CE-CG 3.83Å |
| 3 | A | 37.2 | Very low | 61.2 | Low | 97 Ų | 97 | 88.8 Ų | 88.8 | 80% | 0.802 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 128.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | V5 | A3-V5 PolarHBondContact O-N 3.46Š|
| 4 | A | 51.9 | Low | 61.6 | Low | 103 Ų | 103 | 96.5 Ų | 96.5 | 85% | 0.851 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 119.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | M2 S6 | M2-A4 PolarHBondContact O-N 3.46Å; A4-S6 PolarHBondContact O-N 3.15Å |
| 5 | V | 59.2 | Low | 61.7 | Low | 50 Ų | 50 | 93.9 Ų | 93.9 | 30% | 0.303 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 125.8 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | A3 A7 Q9 I10 Y79 | A3-V5 PolarHBondContact O-N 3.46Å; V5-A7 PolarHBondContact O-N 2.97Å; V5-Q9 HydrophobicContact CG1-CB 4.26Å; V5-I10 HydrophobicContact CG1-CG1 4.37Å; V5-Y79 HydrophobicContact CG1-CD1 4.18Å; V5-Y79 HydrophobicContact CG1-CD2 4.28Å; V5-Y79 HydrophobicContact CG1-CE1 4.45Å; V5-Y79 HydrophobicContact CG1-CG 4.1Å; V5-Y79 HydrophobicContact CG2-CD1 4.34Å; V5-Y79 HydrophobicContact CG2-CE1 3.93Å |
| 6 | S | 62 | Low | 61.8 | Low | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 136.9 | -177.3 | 179 | 0 | 0 | 0 | 0 | 110.2 | A4 S8 Q9 | A4-S6 PolarHBondContact O-N 3.15Å; S6-S8 PolarHBondContact O-N 3.49Å; S6-S8 PolarHBondContact OG-N 2.81Å; S6-S8 PolarHBondContact OG-OG 2.84Å; S6-Q9 WeakPolarHBondContact O-CB 3.44Å; S6-Q9 PolarHBondContact O-N 3.23Å |
| 7 | A | 60.5 | Low | 62.1 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 70% | 0.702 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -54.5 | -29.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V5 Q9 I10 | V5-A7 PolarHBondContact O-N 2.97Å; A7-Q9 PolarHBondContact O-N 3.46Å; A7-I10 PolarHBondContact O-N 3.17Å |
| 8 | S | 58.6 | Low | 62.1 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -69.3 | -10.3 | 175.4 | 63 | 0 | 0 | 0 | 0 | 115.1 | S6 R11 | S6-S8 PolarHBondContact O-N 3.49Å; S6-S8 PolarHBondContact OG-N 2.81Å; S6-S8 PolarHBondContact OG-OG 2.84Å; S8-R11 PolarHBondContact O-NH1 3.3Å; S8-R11 PolarHBondContact O-NH2 3.15Å |
| 9 | Q | 72.1 | Confident | 62.8 | Low | 115 Ų | 115 | 99.1 Ų | 99.1 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -97.2 | -13.6 | 176.1 | -67.2 | 172.5 | -36.4 | 0 | 0 | 113 | V5 S6 A7 | V5-Q9 HydrophobicContact CG1-CB 4.26Å; S6-Q9 WeakPolarHBondContact O-CB 3.44Å; S6-Q9 PolarHBondContact O-N 3.23Å; A7-Q9 PolarHBondContact O-N 3.46Å |
| 10 | I | 83.4 | Confident | 63.8 | Low | 25 Ų | 25 | 94.2 Ų | 94.2 | 13% | 0.128 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 144 | 178.7 | -55 | 175.5 | 0 | 0 | 0 | 109.6 | V5 A7 I22 Y79 R81 | V5-I10 HydrophobicContact CG1-CG1 4.37Å; A7-I10 PolarHBondContact O-N 3.17Å; I10-I22 HydrophobicContact CD1-CD1 3.88Å; I10-I22 HydrophobicContact CD1-CG1 4.38Å; I10-I22 HydrophobicContact CD1-CG2 4.46Å; I10-Y79 CarbonylContact C-O 3.56Å; I10-Y79 WeakPolarHBondContact CA-O 3.21Å; I10-R81 HydrophobicContact CG2-CB 4.05Å |
| 11 | R | 85.3 | Confident | 64.9 | Low | 103 Ų | 103 | 94 Ų | 94 | 39% | 0.389 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 170.3 | 176.2 | -62.5 | -69 | 177.8 | -85.4 | -1 | 111.2 | S8 T59 L61 Y79 F80 R81 | S8-R11 PolarHBondContact O-NH1 3.3Å; S8-R11 PolarHBondContact O-NH2 3.15Å; R11-T59 HydrophobicContact CB-CG2 4.02Å; R11-L61 HydrophobicContact CB-CD1 4.44Å; R11-L61 HydrophobicContact CG-CD1 4Å; R11-L61 HydrophobicContact CG-CD2 4.19Å; R11-L61 HydrophobicContact CG-CG 4.43Å; R11-Y79 PolarHBondContact N-O 2.84Å; R11-F80 HydrophobicContact CB-CD1 4.26Å; R11-F80 CarbonylContact O-C 3.59Å; R11-F80 VanDerWaalsContact O-CA 3.27Å; R11-F80 WeakPolarHBondContact O-CA 3.49Å; R11-R81 PolarHBondContact O-N 2.71Å |
| 12 | G | 83.4 | Confident | 67.9 | Low | 18 Ų | 18 | 84.6 Ų | 84.6 | 19% | 0.186 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.1 | -132.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q14 | G12-Q14 PolarHBondContact O-N 3.11Å |
| 13 | L | 79.9 | Confident | 70.6 | Confident | 34 Ų | 34 | 78 Ų | 78 | 18% | 0.178 | 45% | 0.45 | C | S | . | . | trans | -59.7 | 131 | -175 | -68.7 | 171.8 | 0 | 0 | 0 | 112.4 | R81 N83 | L13-R81 HydrophobicContact CB-CB 4.31Å; L13-R81 HydrophobicContact CB-CG 3.96Å; L13-R81 PolarHBondContact N-O 2.93Å; L13-R81 VanDerWaalsContact N-O 3.09Å; L13-R81 WeakPolarHBondContact O-CD 3.15Å; L13-R81 PolarHBondContact O-NH1 2.93Å; L13-N83 HydrophobicContact CD1-CB 4.46Å | ||
| 14 | Q | 65.9 | Low | 73.2 | Confident | 197 Ų | 197 | 75.2 Ų | 75.2 | 92% | 0.921 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -79.4 | -32.5 | -177.8 | -62.4 | -169 | 7.1 | 0 | 0 | 113 | G12 | G12-Q14 PolarHBondContact O-N 3.11Š|
| 15 | A | 63.9 | Low | 75.1 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -95.2 | 151 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E17 R81 | A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 HydrophobicContact CB-CG 4.49Å; A15-E17 PolarHBondContact O-N 3.43Å; A15-R81 WeakPolarHBondContact O-CD 3.34Å |
| 16 | D | 63.8 | Low | 76.7 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | trans | -89.9 | 70.7 | 174.5 | -147.2 | 60.4 | 0 | 0 | 0 | 109.7 | R81 | D16-R81 IonicContact OD1-CZ 3.14Å; D16-R81 IonicContact OD1-NE 2.71Å; D16-R81 PolarHBondContact OD1-NE 3.43Å; D16-R81 IonicContact OD1-NH2 2.74Å; D16-R81 PolarHBondContact OD1-NH2 3.15Å | ||
| 17 | E | 65.8 | Low | 78.3 | Confident | 94 Ų | 94 | 68 Ų | 68 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | trans | -64.1 | 145.9 | 176.5 | -65.1 | 174.5 | -169.8 | 0 | 0 | 110.9 | A15 T19 S20 | A15-E17 VanDerWaalsContact C-N 3.34Å; A15-E17 HydrophobicContact CB-CG 4.49Å; A15-E17 PolarHBondContact O-N 3.43Å; E17-T19 PolarHBondContact O-N 2.79Å; E17-T19 VanDerWaalsContact O-N 3.11Å; E17-S20 VanDerWaalsContact O-CB 3.29Å; E17-S20 WeakPolarHBondContact O-CB 3.48Å; E17-S20 PolarHBondContact O-N 2.94Å; E17-S20 PolarHBondContact O-OG 2.79Å | ||
| 18 | E | 62.9 | Low | 79.8 | Confident | 185 Ų | 185 | 65.2 Ų | 65.2 | 86% | 0.864 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39.3 | -178.1 | -61.9 | -176.5 | 147.2 | 0 | 0 | 113 | S20 K155 | E18-S20 VanDerWaalsContact C-N 3.3Å; E18-S20 PolarHBondContact O-N 3.33Å; E18-K155 PolarHBondContact O-NZ 2.87Å |
| 19 | T | 74.1 | Confident | 81.5 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.5 | -180 | 69.4 | 0 | 0 | 0 | 0 | 114 | E17 N83 P84 | E17-T19 PolarHBondContact O-N 2.79Å; E17-T19 VanDerWaalsContact O-N 3.11Å; T19-N83 PolarHBondContact OG1-ND2 2.83Å; T19-P84 VanDerWaalsContact O-CD 3.3Å; T19-P84 WeakPolarHBondContact O-CD 3.11Å |
| 20 | S | 83.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | trans | -76.8 | 154.3 | -177 | 77.9 | 0 | 0 | 0 | 0 | 112.6 | E17 E18 V82 K155 | E17-S20 VanDerWaalsContact O-CB 3.29Å; E17-S20 WeakPolarHBondContact O-CB 3.48Å; E17-S20 PolarHBondContact O-N 2.94Å; E17-S20 PolarHBondContact O-OG 2.79Å; E18-S20 VanDerWaalsContact C-N 3.3Å; E18-S20 PolarHBondContact O-N 3.33Å; S20-V82 CarbonylContact C-O 3.57Å; S20-V82 WeakPolarHBondContact CA-O 3.04Å; S20-K155 WeakPolarHBondContact O-CE 3.13Å; S20-K155 PolarHBondContact O-NZ 2.57Å | ||
| 21 | R | 88.1 | Confident | 83 | Confident | 91 Ų | 91 | 57.1 Ų | 57.1 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.4 | 174.6 | -73.9 | -173.3 | 161.2 | -140.3 | -4.6 | 110.9 | R81 V82 P84 T117 Y152 | R21-R81 WeakPolarHBondContact O-CA 3.37Å; R21-V82 PolarHBondContact N-O 3.2Å; R21-V82 PolarHBondContact O-N 3.16Å; R21-P84 HydrophobicContact CB-CG 4.25Å; R21-P84 HydrophobicContact CG-CG 4.17Å; R21-T117 PolarHBondContact NH1-OG1 2.85Å; R21-Y152 HydrophobicContact CB-CD1 3.51Å; R21-Y152 HydrophobicContact CB-CE1 3.62Å; R21-Y152 HydrophobicContact CB-CG 4.34Å; R21-Y152 HydrophobicContact CG-CD1 4.36Å |
| 22 | I | 90.3 | Very high | 83.1 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 113.1 | 171.8 | -56.7 | 167.3 | 0 | 0 | 0 | 108.7 | I10 F80 Y152 L153 | I10-I22 HydrophobicContact CD1-CD1 3.88Å; I10-I22 HydrophobicContact CD1-CG1 4.38Å; I10-I22 HydrophobicContact CD1-CG2 4.46Å; I22-F80 CarbonylContact C-O 3.53Å; I22-F80 WeakPolarHBondContact CA-O 3.42Å; I22-Y152 WeakPolarHBondContact O-CA 3.04Å; I22-L153 HydrophobicContact CB-CB 4.47Å; I22-L153 HydrophobicContact CB-CD1 4.3Å; I22-L153 HydrophobicContact CG2-CD1 3.77Å; I22-L153 HydrophobicContact CG2-CG 4.25Å; I22-L153 PolarHBondContact O-N 3.41Å |
| 23 | L | 91.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.3 | 173.9 | 177.3 | 69.8 | 0 | 0 | 0 | 109.5 | V25 Y79 F80 V82 L112 I115 M150 Y152 | L23-V25 HydrophobicContact CD2-CG2 3.74Å; L23-V25 HydrophobicContact CG-CG2 3.74Å; L23-Y79 WeakPolarHBondContact O-CA 3.22Å; L23-F80 PolarHBondContact N-O 3.11Å; L23-F80 PolarHBondContact O-N 3.46Å; L23-V82 HydrophobicContact CB-CG1 4.3Å; L23-V82 HydrophobicContact CB-CG2 3.96Å; L23-V82 HydrophobicContact CD2-CG1 4.31Å; L23-L112 HydrophobicContact CD2-CD1 4.12Å; L23-L112 HydrophobicContact CD2-CD2 3.67Å; L23-I115 HydrophobicContact CD1-CB 4.4Å; L23-I115 HydrophobicContact CD1-CG1 4.39Å; L23-I115 HydrophobicContact CD1-CG2 3.74Å; L23-M150 HydrophobicContact CD1-CB 4.44Å; L23-M150 HydrophobicContact CD1-CE 4.43Å; L23-M150 HydrophobicContact CD2-CE 3.97Å; L23-Y152 HydrophobicContact CB-CD1 4.17Å; L23-Y152 HydrophobicContact CB-CE1 3.91Å; L23-Y152 HydrophobicContact CD1-CD1 4.28Å; L23-Y152 HydrophobicContact CD1-CE1 4.08Å |
| 24 | K | 91.3 | Very high | 83.4 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.8 | 165.8 | 178.6 | 172.2 | -179.4 | 150.3 | 0 | 109.1 | E77 Y79 M150 T151 L153 | K24-E77 VanDerWaalsContact CE-CD 3.45Å; K24-E77 WeakPolarHBondContact CE-OE2 3.2Å; K24-E77 IonicContact NZ-OE1 3.17Å; K24-E77 IonicContact NZ-OE2 2.71Å; K24-E77 PolarHBondContact NZ-OE2 3.25Å; K24-Y79 HydrophobicContact CB-CD1 4.2Å; K24-Y79 HydrophobicContact CB-CE1 3.98Å; K24-Y79 HydrophobicContact CD-CE1 3.81Å; K24-Y79 VanDerWaalsContact CE-OH 3.29Å; K24-Y79 WeakPolarHBondContact CE-OH 3.03Å; K24-Y79 HydrophobicContact CG-CD1 4.35Å; K24-Y79 HydrophobicContact CG-CE1 3.76Å; K24-Y79 PolarHBondContact NZ-OH 2.86Å; K24-M150 WeakPolarHBondContact O-CA 3.46Å; K24-T151 PolarHBondContact N-O 3.34Å; K24-T151 PolarHBondContact O-N 2.81Å; K24-L153 HydrophobicContact CB-CD2 4.28Å; K24-L153 HydrophobicContact CD-CD2 4.46Å |
| 25 | V | 92.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.1 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | L23 L48 E77 F78 F80 L89 F91 M150 | L23-V25 HydrophobicContact CD2-CG2 3.74Å; L23-V25 HydrophobicContact CG-CG2 3.74Å; V25-L48 HydrophobicContact CG1-CD2 3.89Å; V25-E77 CarbonylContact O-C 3.58Å; V25-E77 WeakPolarHBondContact O-CA 3.29Å; V25-F78 PolarHBondContact N-O 2.89Å; V25-F78 PolarHBondContact O-N 2.71Å; V25-F80 HydrophobicContact CB-CE2 4.32Å; V25-F80 HydrophobicContact CG2-CD2 3.88Å; V25-F80 HydrophobicContact CG2-CE2 4.03Å; V25-L89 HydrophobicContact CG1-CD2 4.35Å; V25-L89 HydrophobicContact CG2-CD2 4.19Å; V25-F91 HydrophobicContact CG1-CE1 3.75Å; V25-F91 HydrophobicContact CG1-CZ 3.71Å; V25-M150 HydrophobicContact CG1-CG 4.14Å; V25-M150 HydrophobicContact CG2-CE 4.16Å; V25-M150 HydrophobicContact CG2-CG 4.28Å |
| 26 | K | 92.8 | Very high | 84.2 | Confident | 56 Ų | 56 | 44.8 Ų | 44.8 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120 | 171.7 | -168.5 | 168.4 | -161.6 | 146.8 | 0 | 110.2 | I28 N75 E76 E77 L148 K149 | K26-I28 HydrophobicContact CB-CG1 4.45Å; K26-I28 HydrophobicContact CD-CG1 4.22Å; K26-I28 HydrophobicContact CG-CG1 3.9Å; K26-N75 WeakPolarHBondContact CE-O 3.11Å; K26-E76 CarbonylContact C-O 3.56Å; K26-E76 WeakPolarHBondContact CA-O 3.32Å; K26-E77 HydrophobicContact CB-CG 4.02Å; K26-E77 HydrophobicContact CD-CG 3.76Å; K26-E77 WeakPolarHBondContact CD-OE1 3.42Å; K26-E77 WeakPolarHBondContact CE-OE1 3.47Å; K26-E77 HydrophobicContact CG-CG 3.7Å; K26-E77 IonicContact NZ-OE1 2.69Å; K26-E77 PolarHBondContact NZ-OE1 2.87Å; K26-L148 WeakPolarHBondContact O-CA 3.17Å; K26-K149 HydrophobicContact CB-CB 4.34Å; K26-K149 PolarHBondContact N-O 3.47Å; K26-K149 PolarHBondContact O-N 2.86Å |
| 27 | V | 94.4 | Very high | 84 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 108.6 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | T46 L48 T63 W74 N75 E76 F78 F91 L146 L148 | V27-T46 HydrophobicContact CG1-CG2 4.4Å; V27-L48 HydrophobicContact CG2-CD1 4.15Å; V27-L48 HydrophobicContact CG2-CD2 3.77Å; V27-L48 HydrophobicContact CG2-CG 4.28Å; V27-T63 HydrophobicContact CB-CG2 4.02Å; V27-T63 HydrophobicContact CG1-CG2 4Å; V27-T63 HydrophobicContact CG2-CG2 4.31Å; V27-W74 HydrophobicContact CG1-CD2 4.38Å; V27-W74 HydrophobicContact CG1-CE3 3.67Å; V27-W74 HydrophobicContact CG1-CZ3 4.13Å; V27-N75 CarbonylContact O-C 3.45Å; V27-N75 WeakPolarHBondContact O-CA 3.35Å; V27-N75 PolarHBondContact O-N 2.8Å; V27-E76 PolarHBondContact N-O 3.16Å; V27-E76 PolarHBondContact O-N 3.11Å; V27-E76 VanDerWaalsContact O-N 3.08Å; V27-F78 HydrophobicContact CB-CE2 4.49Å; V27-F78 HydrophobicContact CG2-CD2 4.23Å; V27-F78 HydrophobicContact CG2-CE2 3.92Å; V27-F91 HydrophobicContact CG2-CD1 4.45Å; V27-F91 HydrophobicContact CG2-CE1 4.13Å; V27-L146 HydrophobicContact CG1-CD1 4.13Å; V27-L148 HydrophobicContact CB-CD2 4.25Å; V27-L148 HydrophobicContact CG1-CD2 4.15Å; V27-L148 HydrophobicContact CG2-CD2 3.96Å |
| 28 | I | 92.8 | Very high | 83.3 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 14% | 0.138 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -56.3 | -168.2 | -63.7 | 167 | 0 | 0 | 0 | 110 | K26 K73 W74 N75 F128 R147 K149 | K26-I28 HydrophobicContact CB-CG1 4.45Å; K26-I28 HydrophobicContact CD-CG1 4.22Å; K26-I28 HydrophobicContact CG-CG1 3.9Å; I28-K73 CarbonylContact O-C 3.6Å; I28-K73 VanDerWaalsContact O-C 3.32Å; I28-K73 WeakPolarHBondContact O-CA 3.2Å; I28-W74 PolarHBondContact O-N 2.87Å; I28-W74 VanDerWaalsContact O-N 3.15Å; I28-N75 PolarHBondContact O-N 3.07Å; I28-N75 VanDerWaalsContact O-N 3.16Å; I28-F128 HydrophobicContact CD1-CB 3.5Å; I28-F128 VanDerWaalsContact CD1-CB 3.5Å; I28-F128 HydrophobicContact CD1-CD1 4.49Å; I28-F128 HydrophobicContact CD1-CG 4.27Å; I28-R147 HydrophobicContact CB-CB 4.32Å; I28-R147 HydrophobicContact CB-CG 3.98Å; I28-R147 WeakPolarHBondContact CB-O 3.28Å; I28-R147 HydrophobicContact CD1-CG 4.29Å; I28-R147 HydrophobicContact CG2-CG 4.08Å; I28-R147 PolarHBondContact N-O 3.04Å; I28-K149 HydrophobicContact CD1-CB 3.97Å |
| 29 | A | 94.4 | Very high | 82.6 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 155.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I31 P72 K73 R147 | A29-I31 HydrophobicContact CB-CG1 4.49Å; A29-P72 CarbonylContact C-O 3.55Å; A29-P72 WeakPolarHBondContact CA-O 3.35Å; A29-P72 WeakPolarHBondContact CB-O 3.42Å; A29-K73 HydrophobicContact CB-CG 4.14Å; A29-R147 HydrophobicContact CB-CB 4.27Å; A29-R147 PolarHBondContact N-O 2.84Å; A29-R147 PolarHBondContact O-N 3.18Å |
| 30 | G | 94.4 | Very high | 81.8 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 149.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | D71 P72 H145 | G30-D71 CarbonylContact O-C 3.58Å; G30-D71 VanDerWaalsContact O-CA 3.31Å; G30-D71 WeakPolarHBondContact O-CA 3.42Å; G30-P72 PolarHBondContact N-O 3.2Å; G30-H145 CarbonylContact C-O 3.32Å; G30-H145 WeakPolarHBondContact CA-O 3.43Å |
| 31 | I | 92.1 | Very high | 80.6 | Confident | 46 Ų | 46 | 32.9 Ų | 32.9 | 24% | 0.236 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 118.5 | -175.6 | -57 | 171.7 | 0 | 0 | 0 | 109.6 | A29 L33 D71 G144 H145 R147 | A29-I31 HydrophobicContact CB-CG1 4.49Å; I31-L33 VanDerWaalsContact C-N 3.33Å; I31-L33 PolarHBondContact O-N 3.45Å; I31-D71 VanDerWaalsContact CA-OD1 3.32Å; I31-D71 WeakPolarHBondContact CA-OD1 3.28Å; I31-G144 CarbonylContact O-C 3.59Å; I31-G144 WeakPolarHBondContact O-CA 3.32Å; I31-H145 HydrophobicContact CB-CB 4.44Å; I31-H145 PolarHBondContact N-O 3.41Å; I31-H145 PolarHBondContact O-N 3.24Å; I31-R147 HydrophobicContact CD1-CB 4.13Å |
| 32 | G | 87.1 | Confident | 80.2 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 25% | 0.247 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 57.7 | 41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L70 D71 G144 | G32-L70 PolarHBondContact N-O 2.74Å; G32-D71 PolarHBondContact N-OD1 2.72Å; G32-G144 VanDerWaalsContact O-CA 3.26Å; G32-G144 WeakPolarHBondContact O-CA 3.27Å; G32-G144 PolarHBondContact O-N 2.93Å |
| 33 | L | 88.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 158.2 | -180 | -61.3 | -179.3 | 0 | 0 | 0 | 111.8 | I31 P44 L70 P72 V93 L105 L133 K143 | I31-L33 VanDerWaalsContact C-N 3.33Å; I31-L33 PolarHBondContact O-N 3.45Å; L33-P44 HydrophobicContact CD1-CB 3.81Å; L33-P44 HydrophobicContact CD1-CG 4.02Å; L33-L70 HydrophobicContact CB-CB 4.42Å; L33-L70 WeakPolarHBondContact CB-O 3.41Å; L33-L70 VanDerWaalsContact CG-O 3.31Å; L33-L70 WeakPolarHBondContact CG-O 3.5Å; L33-L70 PolarHBondContact N-O 2.78Å; L33-P72 HydrophobicContact CD1-CG 3.78Å; L33-V93 HydrophobicContact CD1-CG1 4.1Å; L33-V93 HydrophobicContact CD2-CG1 4.36Å; L33-L105 HydrophobicContact CD1-CD1 4.18Å; L33-L133 HydrophobicContact CD2-CD1 3.31Å; L33-K143 WeakPolarHBondContact CA-O 3.32Å |
| 34 | A | 81.7 | Confident | 80.1 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 133.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L105 K143 | A34-L105 WeakPolarHBondContact O-CD2 3.34Å; A34-K143 HydrophobicContact CB-CB 4.12Å; A34-K143 PolarHBondContact N-O 3.36Å |
| 35 | K | 76.4 | Confident | 80.3 | Confident | 55 Ų | 55 | 25.8 Ų | 25.8 | 24% | 0.239 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 147.8 | 168 | -170 | 179.7 | 177.4 | 179.8 | 0 | 110.7 | D37 G40 L70 E722 | K35-D37 WeakPolarHBondContact CE-O 3.48Å; K35-G40 WeakPolarHBondContact CE-O 3.29Å; K35-L70 HydrophobicContact CB-CD1 4.35Å; K35-L70 HydrophobicContact CB-CD2 3.95Å; K35-L70 HydrophobicContact CG-CD2 4.49Å; K35-E722 WeakPolarHBondContact CD-OE2 3.23Å; K35-E722 WeakPolarHBondContact CE-OE2 3.49Å; K35-E722 IonicContact NZ-OE2 2.77Å; K35-E722 PolarHBondContact NZ-OE2 3.06Å |
| 36 | K | 70.4 | Confident | 80.5 | Confident | 55 Ų | 55 | 25.8 Ų | 25.8 | 24% | 0.239 | 14% | 0.144 | C | C | . | . | trans | -134 | -36 | 168.4 | -60.8 | -131.3 | 163.3 | -70.4 | 0 | 113.9 | I38 S42 D95 D103 F104 L105 R141 | K36-I38 WeakPolarHBondContact O-CG1 3.35Å; K36-I38 PolarHBondContact O-N 2.71Å; K36-S42 PolarHBondContact N-OG 2.77Å; K36-D95 WeakPolarHBondContact CB-OD2 3.18Å; K36-D103 HydrophobicContact CB-CB 3.81Å; K36-D103 HydrophobicContact CD-CB 3.82Å; K36-D103 HydrophobicContact CG-CB 3.99Å; K36-F104 VanDerWaalsContact CE-O 3.28Å; K36-F104 WeakPolarHBondContact CE-O 3.16Å; K36-L105 HydrophobicContact CB-CD2 4.36Å; K36-L105 HydrophobicContact CD-CD2 3.89Å; K36-L105 HydrophobicContact CG-CD2 3.48Å; K36-L105 VanDerWaalsContact CG-CD2 3.48Å; K36-R141 WeakPolarHBondContact CE-O 3.32Å; K36-R141 PolarHBondContact NZ-O 2.59Å | ||
| 37 | D | 59.1 | Low | 80.6 | Confident | 43 Ų | 43 | 26.4 Ų | 26.4 | 23% | 0.23 | 15% | 0.145 | C | C | . | . | trans | -48.4 | 123.6 | 170.2 | -98.9 | -50.3 | 0 | 0 | 0 | 112.6 | K35 | K35-D37 WeakPolarHBondContact CE-O 3.48Š| ||
| 38 | I | 51.8 | Low | 80.7 | Confident | 73 Ų | 73 | 26.4 Ų | 26.4 | 37% | 0.374 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -93.6 | -7 | -177.8 | -32.9 | 177.1 | 0 | 0 | 0 | 111.7 | K36 E697 Y698 | K36-I38 WeakPolarHBondContact O-CG1 3.35Å; K36-I38 PolarHBondContact O-N 2.71Å; I38-E697 HydrophobicContact CD1-CG 4.11Å; I38-Y698 HydrophobicContact CB-CD2 4.03Å; I38-Y698 HydrophobicContact CB-CE2 4.25Å; I38-Y698 HydrophobicContact CD1-CD2 4.12Å; I38-Y698 HydrophobicContact CG2-CD2 3.55Å; I38-Y698 HydrophobicContact CG2-CE2 3.7Å |
| 39 | L | 47.5 | Very low | 80.8 | Confident | 62 Ų | 62 | 25.4 Ų | 25.4 | 33% | 0.325 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -131.4 | 21.9 | -179.9 | -67.9 | 172.2 | 0 | 0 | 0 | 112.6 | Y698 L715 | L39-Y698 HydrophobicContact CD2-CE2 4.39Å; L39-L715 HydrophobicContact CD1-CD2 4.18Å |
| 40 | G | 57.2 | Low | 80.8 | Confident | 12 Ų | 12 | 25 Ų | 25 | 12% | 0.124 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -174.9 | -167.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K35 | K35-G40 WeakPolarHBondContact CE-O 3.29Š|
| 41 | A | 58 | Low | 80.7 | Confident | 35 Ų | 35 | 27.6 Ų | 27.6 | 29% | 0.289 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -98.2 | 147.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K68 | A41-K68 HydrophobicContact CB-CB 4.35Å; A41-K68 WeakPolarHBondContact O-CA 3.45Å |
| 42 | S | 79.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -46 | 145.8 | -178.3 | -68.7 | 0 | 0 | 0 | 0 | 115 | K36 P44 K68 T69 D95 | K36-S42 PolarHBondContact N-OG 2.77Å; S42-P44 WeakPolarHBondContact O-CD 3.3Å; S42-K68 CarbonylContact O-C 3.59Å; S42-K68 VanDerWaalsContact O-CA 3.24Å; S42-K68 WeakPolarHBondContact O-CA 3.4Å; S42-K68 PolarHBondContact O-N 3.32Å; S42-T69 PolarHBondContact O-N 3.33Å; S42-D95 WeakPolarHBondContact CA-OD1 3.46Å; S42-D95 VanDerWaalsContact CB-CG 3.47Å; S42-D95 WeakPolarHBondContact CB-OD1 3.41Å; S42-D95 WeakPolarHBondContact CB-OD2 3.13Å; S42-D95 PolarHBondContact OG-OD1 2.92Å; S42-D95 PolarHBondContact OG-OD2 2.77Å | ||
| 43 | D | 88 | Confident | 80.3 | Confident | 17 Ų | 17 | 29.3 Ų | 29.3 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | trans | -105.7 | 73 | 169.4 | -81.9 | 6.8 | 0 | 0 | 0 | 110.1 | T65 I66 K67 K68 D95 E96 | D43-T65 HydrophobicContact CB-CG2 3.89Å; D43-T65 WeakPolarHBondContact O-CG2 3.41Å; D43-I66 CarbonylContact C-O 3.44Å; D43-I66 WeakPolarHBondContact CA-O 3.41Å; D43-K67 HydrophobicContact CB-CG 4.4Å; D43-K67 WeakPolarHBondContact OD1-CA 3.43Å; D43-K67 WeakPolarHBondContact OD1-CB 3.32Å; D43-K67 VanDerWaalsContact OD2-CD 3.3Å; D43-K67 WeakPolarHBondContact OD2-CD 3.15Å; D43-K67 WeakPolarHBondContact OD2-CE 3.39Å; D43-K67 VanDerWaalsContact OD2-CG 3.26Å; D43-K67 WeakPolarHBondContact OD2-CG 3.43Å; D43-K67 IonicContact OD2-NZ 2.69Å; D43-K67 PolarHBondContact OD2-NZ 3.26Å; D43-K68 PolarHBondContact OD1-N 3.42Å; D43-D95 PolarHBondContact N-OD1 3.4Å; D43-E96 HydrophobicContact CB-CB 4.48Å; D43-E96 PolarHBondContact O-N 3.1Å | ||
| 44 | P | 92.4 | Very high | 80 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 145.7 | -171.1 | 30 | -40.5 | 0 | 0 | 0 | 117 | L33 S42 I66 T69 P72 W74 F94 L105 | L33-P44 HydrophobicContact CD1-CB 3.81Å; L33-P44 HydrophobicContact CD1-CG 4.02Å; S42-P44 WeakPolarHBondContact O-CD 3.3Å; P44-I66 WeakPolarHBondContact CD-O 3.13Å; P44-I66 PolarHBondContact O-N 2.92Å; P44-T69 VanDerWaalsContact CD-O 3.25Å; P44-T69 WeakPolarHBondContact CD-O 3.19Å; P44-T69 HydrophobicContact CG-CG2 4.34Å; P44-T69 VanDerWaalsContact CG-O 3.32Å; P44-T69 WeakPolarHBondContact CG-O 3.41Å; P44-P72 HydrophobicContact CB-CG 4.16Å; P44-P72 HydrophobicContact CG-CB 3.8Å; P44-P72 HydrophobicContact CG-CG 3.54Å; P44-W74 HydrophobicContact CB-CZ2 4.17Å; P44-W74 PolarHBondContact O-NE1 3.11Å; P44-F94 CarbonylContact C-O 3.53Å; P44-F94 WeakPolarHBondContact CA-O 3.02Å; P44-L105 HydrophobicContact CB-CD1 3.87Å |
| 45 | Y | 95.3 | Very high | 80 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 166.2 | 166 | 76.2 | -89.5 | 0 | 0 | 0 | 112 | R47 Q62 V93 F94 E96 D102 | Y45-R47 HydrophobicContact CE2-CB 4.5Å; Y45-Q62 HydrophobicContact CD2-CB 4.29Å; Y45-V93 WeakPolarHBondContact O-CA 3.31Å; Y45-V93 WeakPolarHBondContact O-CG1 3.45Å; Y45-F94 HydrophobicContact CD1-CB 3.91Å; Y45-F94 HydrophobicContact CE1-CB 3.46Å; Y45-F94 VanDerWaalsContact CE1-CB 3.46Å; Y45-F94 HydrophobicContact CE1-CG 4.4Å; Y45-F94 HydrophobicContact CE2-CB 4.09Å; Y45-F94 HydrophobicContact CE2-CD2 4.19Å; Y45-F94 HydrophobicContact CE2-CG 4.49Å; Y45-F94 HydrophobicContact CG-CB 4.43Å; Y45-F94 PolarHBondContact N-O 2.87Å; Y45-F94 PolarHBondContact O-N 2.95Å; Y45-E96 HydrophobicContact CD1-CB 4.03Å; Y45-E96 HydrophobicContact CE1-CB 4.24Å; Y45-D102 HydrophobicContact CE1-CB 4.27Å; Y45-D102 WeakPolarHBondContact CE1-OD2 3.27Å; Y45-D102 PolarHBondContact OH-OD2 3.41Å |
| 46 | T | 96.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.3 | 175.1 | -59 | 0 | 0 | 0 | 0 | 110.9 | V27 L48 Q62 T63 W74 F91 E92 V93 L146 | V27-T46 HydrophobicContact CG1-CG2 4.4Å; T46-L48 HydrophobicContact CG2-CD1 4.34Å; T46-Q62 CarbonylContact O-C 3.55Å; T46-Q62 VanDerWaalsContact O-CA 3.29Å; T46-Q62 WeakPolarHBondContact O-CA 3.43Å; T46-T63 PolarHBondContact N-OG1 2.76Å; T46-T63 PolarHBondContact O-N 3.09Å; T46-W74 WeakPolarHBondContact OG1-CH2 3.38Å; T46-W74 WeakPolarHBondContact OG1-CZ3 3.47Å; T46-F91 HydrophobicContact CG2-CB 4.3Å; T46-F91 HydrophobicContact CG2-CD1 4.21Å; T46-E92 CarbonylContact C-O 3.54Å; T46-E92 WeakPolarHBondContact CA-O 3.47Å; T46-V93 HydrophobicContact CG2-CG2 4.45Å; T46-L146 HydrophobicContact CG2-CD1 4.48Å; T46-L146 HydrophobicContact CG2-CD2 4.14Å |
| 47 | R | 96.1 | Very high | 81.2 | Confident | 69 Ų | 69 | 43 Ų | 43 | 26% | 0.26 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.5 | 166.3 | -179.3 | 165.1 | 64.8 | -137.7 | 10.2 | 110.3 | Y45 S60 L61 F91 E92 F94 | Y45-R47 HydrophobicContact CE2-CB 4.5Å; R47-S60 WeakPolarHBondContact CD-OG 3.32Å; R47-S60 VanDerWaalsContact CG-OG 3.23Å; R47-S60 WeakPolarHBondContact CG-OG 3.26Å; R47-L61 CarbonylContact C-O 3.57Å; R47-L61 WeakPolarHBondContact CA-O 3.46Å; R47-F91 CarbonylContact O-C 3.57Å; R47-F91 VanDerWaalsContact O-CA 3.31Å; R47-F91 WeakPolarHBondContact O-CA 3.06Å; R47-E92 IonicContact CZ-OE2 2.75Å; R47-E92 VanDerWaalsContact CZ-OE2 3.27Å; R47-E92 PolarHBondContact N-O 2.74Å; R47-E92 IonicContact NE-OE2 2.69Å; R47-E92 PolarHBondContact NE-OE2 3.29Å; R47-E92 VanDerWaalsContact NE-OE2 3.07Å; R47-E92 IonicContact NH2-OE1 3.63Å; R47-E92 IonicContact NH2-OE2 3.15Å; R47-E92 PolarHBondContact NH2-OE2 2.84Å; R47-E92 PolarHBondContact O-N 2.88Å; R47-F94 VanDerWaalsContact CZ-CE2 3.44Å; R47-F94 VanDerWaalsContact NH2-CE2 3.29Å; R47-F94 VanDerWaalsContact NH2-CZ 3.31Å |
| 48 | L | 96.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 102.2 | -178.9 | -60.5 | 86 | 0 | 0 | 0 | 109.2 | V25 V27 T46 S60 L61 T63 F78 F80 L89 L90 F91 | V25-L48 HydrophobicContact CG1-CD2 3.89Å; V27-L48 HydrophobicContact CG2-CD1 4.15Å; V27-L48 HydrophobicContact CG2-CD2 3.77Å; V27-L48 HydrophobicContact CG2-CG 4.28Å; T46-L48 HydrophobicContact CG2-CD1 4.34Å; L48-S60 CarbonylContact O-C 3.56Å; L48-S60 WeakPolarHBondContact O-CA 3.41Å; L48-L61 PolarHBondContact N-O 3.38Å; L48-L61 PolarHBondContact O-N 2.93Å; L48-T63 HydrophobicContact CD1-CG2 4.46Å; L48-F78 HydrophobicContact CD1-CD2 4.13Å; L48-F78 HydrophobicContact CD1-CE2 3.71Å; L48-F78 HydrophobicContact CD1-CZ 4.04Å; L48-F78 HydrophobicContact CD2-CD2 3.58Å; L48-F78 HydrophobicContact CD2-CE2 3.99Å; L48-F78 HydrophobicContact CD2-CG 4.2Å; L48-F80 HydrophobicContact CB-CZ 4.14Å; L48-F80 HydrophobicContact CD2-CE2 4.29Å; L48-F80 HydrophobicContact CD2-CZ 4.39Å; L48-L89 HydrophobicContact CB-CD2 4.33Å; L48-L89 HydrophobicContact CD2-CD2 4.17Å; L48-L90 WeakPolarHBondContact CA-O 3.45Å; L48-F91 HydrophobicContact CD2-CD1 4.05Å; L48-F91 HydrophobicContact CD2-CE1 3.61Å; L48-F91 HydrophobicContact CD2-CZ 4.5Å; L48-F91 HydrophobicContact CG-CD1 3.86Å; L48-F91 HydrophobicContact CG-CE1 3.96Å |
| 49 | S | 95.2 | Very high | 84.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114 | 179.4 | -71.8 | 0 | 0 | 0 | 0 | 111 | E57 S60 L90 | S49-E57 WeakPolarHBondContact CB-OE1 3.37Å; S49-E57 PolarHBondContact OG-OE1 2.81Å; S49-S60 PolarHBondContact OG-OG 2.78Å; S49-L90 PolarHBondContact N-O 2.93Å; S49-L90 PolarHBondContact O-N 3.03Å |
| 50 | L | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.1 | 168.4 | 176.3 | 72.1 | 0 | 0 | 0 | 108.5 | I58 T59 F80 V82 H87 L89 L112 | L50-I58 HydrophobicContact CD2-CB 4.34Å; L50-I58 HydrophobicContact CD2-CD1 4.5Å; L50-I58 HydrophobicContact CD2-CG2 4.28Å; L50-I58 HydrophobicContact CG-CB 4.37Å; L50-I58 HydrophobicContact CG-CD1 4.37Å; L50-I58 WeakPolarHBondContact O-CB 3.47Å; L50-I58 PolarHBondContact O-N 3Å; L50-T59 HydrophobicContact CB-CG2 3.91Å; L50-T59 HydrophobicContact CD2-CG2 4.06Å; L50-T59 PolarHBondContact N-O 3.34Å; L50-T59 PolarHBondContact O-N 3.04Å; L50-F80 HydrophobicContact CB-CD1 4.11Å; L50-F80 HydrophobicContact CB-CE1 4.24Å; L50-F80 HydrophobicContact CD2-CD1 4.18Å; L50-V82 HydrophobicContact CD1-CB 4.3Å; L50-V82 HydrophobicContact CD1-CG1 3.5Å; L50-V82 VanDerWaalsContact CD1-CG1 3.5Å; L50-V82 HydrophobicContact CD2-CG1 3.97Å; L50-V82 HydrophobicContact CG-CG1 4.41Å; L50-H87 HydrophobicContact CD1-CB 3.93Å; L50-L89 HydrophobicContact CB-CD1 3.77Å; L50-L89 HydrophobicContact CD1-CD1 3.69Å; L50-L89 HydrophobicContact CG-CD1 4.35Å; L50-L112 HydrophobicContact CD1-CD1 4.12Å |
| 51 | Y | 92.1 | Very high | 88.3 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 158.1 | -178.3 | 77.9 | -79.1 | 0 | 0 | 0 | 113.2 | P53 G56 H87 R88 L90 D109 | Y51-P53 HydrophobicContact CE2-CG 4.32Å; Y51-G56 WeakPolarHBondContact CA-O 3.27Å; Y51-G56 WeakPolarHBondContact CB-O 3.38Å; Y51-H87 WeakPolarHBondContact O-CA 3.23Å; Y51-R88 HydrophobicContact CD1-CB 4.03Å; Y51-R88 HydrophobicContact CE1-CB 3.48Å; Y51-R88 VanDerWaalsContact CE1-CB 3.48Å; Y51-R88 HydrophobicContact CE2-CB 4.42Å; Y51-R88 PolarHBondContact N-O 3.03Å; Y51-R88 PolarHBondContact O-N 3.2Å; Y51-R88 WeakPolarHBondContact OH-CD 3.27Å; Y51-R88 PolarHBondContact OH-NE 2.86Å; Y51-L90 HydrophobicContact CD1-CB 4.18Å; Y51-L90 HydrophobicContact CE1-CB 3.9Å; Y51-D109 PolarHBondContact OH-OD1 3.14Å; Y51-D109 PolarHBondContact OH-OD2 2.9Å |
| 52 | D | 88.2 | Confident | 90 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127 | 167.8 | 179.3 | -34.9 | 0 | 0 | 0 | 107.9 | V54 N55 G56 I58 | D52-V54 PolarHBondContact O-N 2.69Å; D52-V54 VanDerWaalsContact O-N 3.1Å; D52-V54 WeakPolarHBondContact OD1-CA 3.42Å; D52-V54 WeakPolarHBondContact OD1-CB 3.09Å; D52-V54 PolarHBondContact OD1-N 3.15Å; D52-N55 HydrophobicContact CB-CB 3.98Å; D52-N55 PolarHBondContact O-N 2.95Å; D52-N55 PolarHBondContact OD1-N 2.78Å; D52-N55 PolarHBondContact OD2-ND2 2.92Å; D52-G56 PolarHBondContact N-O 3.5Å; D52-G56 WeakPolarHBondContact O-CA 3.4Å; D52-G56 PolarHBondContact O-N 2.89Å; D52-I58 HydrophobicContact CB-CD1 4.23Å |
| 53 | P | 82.4 | Confident | 90.8 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.8 | 178.5 | -26.5 | 36 | 0 | 0 | 0 | 115.8 | Y51 S86 R88 | Y51-P53 HydrophobicContact CE2-CG 4.32Å; P53-S86 WeakPolarHBondContact CD-O 3.39Å; P53-R88 HydrophobicContact CG-CG 4.21Å |
| 54 | V | 83.9 | Confident | 91 | Very high | 127 Ų | 127 | 52.8 Ų | 52.8 | 77% | 0.77 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -45.9 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | D52 | D52-V54 PolarHBondContact O-N 2.69Å; D52-V54 VanDerWaalsContact O-N 3.1Å; D52-V54 WeakPolarHBondContact OD1-CA 3.42Å; D52-V54 WeakPolarHBondContact OD1-CB 3.09Å; D52-V54 PolarHBondContact OD1-N 3.15Å |
| 55 | N | 79.8 | Confident | 91 | Very high | 133 Ų | 133 | 54.4 Ų | 54.4 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -9.1 | -170.5 | -62.4 | -64.8 | 0 | 0 | 0 | 114.6 | D52 | D52-N55 HydrophobicContact CB-CB 3.98Å; D52-N55 PolarHBondContact O-N 2.95Å; D52-N55 PolarHBondContact OD1-N 2.78Å; D52-N55 PolarHBondContact OD2-ND2 2.92Å |
| 56 | G | 82.7 | Confident | 90.7 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | -160.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y51 D52 | Y51-G56 WeakPolarHBondContact CA-O 3.27Å; Y51-G56 WeakPolarHBondContact CB-O 3.38Å; D52-G56 PolarHBondContact N-O 3.5Å; D52-G56 WeakPolarHBondContact O-CA 3.4Å; D52-G56 PolarHBondContact O-N 2.89Å |
| 57 | E | 90 | Very high | 90.2 | Very high | 122 Ų | 122 | 61.3 Ų | 61.3 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.2 | -176.7 | -175.1 | 170.8 | -145.3 | 0 | 0 | 112 | S49 S60 | S49-E57 WeakPolarHBondContact CB-OE1 3.37Å; S49-E57 PolarHBondContact OG-OE1 2.81Å; E57-S60 WeakPolarHBondContact OE1-CB 3.41Å |
| 58 | I | 88.9 | Confident | 89.5 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 33% | 0.328 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -43.3 | -178.9 | -58.1 | 174.1 | 0 | 0 | 0 | 110.2 | L50 D52 H87 | L50-I58 HydrophobicContact CD2-CB 4.34Å; L50-I58 HydrophobicContact CD2-CD1 4.5Å; L50-I58 HydrophobicContact CD2-CG2 4.28Å; L50-I58 HydrophobicContact CG-CB 4.37Å; L50-I58 HydrophobicContact CG-CD1 4.37Å; L50-I58 WeakPolarHBondContact O-CB 3.47Å; L50-I58 PolarHBondContact O-N 3Å; D52-I58 HydrophobicContact CB-CD1 4.23Å; I58-H87 WeakPolarHBondContact CD1-CE1 3.35Å |
| 59 | T | 91.6 | Very high | 88.9 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 148.8 | 178.5 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | R11 L50 F80 | R11-T59 HydrophobicContact CB-CG2 4.02Å; L50-T59 HydrophobicContact CB-CG2 3.91Å; L50-T59 HydrophobicContact CD2-CG2 4.06Å; L50-T59 PolarHBondContact N-O 3.34Å; L50-T59 PolarHBondContact O-N 3.04Å; T59-F80 HydrophobicContact CG2-CD1 4.07Å; T59-F80 HydrophobicContact CG2-CE1 4.07Å |
| 60 | S | 92.1 | Very high | 88.5 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.9 | 173.8 | -155.9 | 0 | 0 | 0 | 0 | 111.4 | R47 L48 S49 E57 | R47-S60 WeakPolarHBondContact CD-OG 3.32Å; R47-S60 VanDerWaalsContact CG-OG 3.23Å; R47-S60 WeakPolarHBondContact CG-OG 3.26Å; L48-S60 CarbonylContact O-C 3.56Å; L48-S60 WeakPolarHBondContact O-CA 3.41Å; S49-S60 PolarHBondContact OG-OG 2.78Å; E57-S60 WeakPolarHBondContact OE1-CB 3.41Å |
| 61 | L | 92.9 | Very high | 88.4 | Confident | 42 Ų | 42 | 73 Ų | 73 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 163.7 | 171.7 | -65.4 | 175.9 | 0 | 0 | 0 | 109.2 | R11 R47 L48 F78 F80 | R11-L61 HydrophobicContact CB-CD1 4.44Å; R11-L61 HydrophobicContact CG-CD1 4Å; R11-L61 HydrophobicContact CG-CD2 4.19Å; R11-L61 HydrophobicContact CG-CG 4.43Å; R47-L61 CarbonylContact C-O 3.57Å; R47-L61 WeakPolarHBondContact CA-O 3.46Å; L48-L61 PolarHBondContact N-O 3.38Å; L48-L61 PolarHBondContact O-N 2.93Å; L61-F78 HydrophobicContact CB-CD1 4.15Å; L61-F78 HydrophobicContact CB-CE1 4.24Å; L61-F78 HydrophobicContact CD1-CB 4.17Å; L61-F78 HydrophobicContact CD1-CD1 3.69Å; L61-F78 HydrophobicContact CD1-CG 4.26Å; L61-F80 HydrophobicContact CD1-CE1 3.87Å; L61-F80 HydrophobicContact CD1-CZ 3.74Å; L61-F80 HydrophobicContact CG-CE1 4.34Å; L61-F80 HydrophobicContact CG-CZ 4.36Å |
| 62 | Q | 93.8 | Very high | 88.4 | Confident | 115 Ų | 115 | 70.5 Ų | 70.5 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.3 | 173.7 | 64.6 | -170.6 | 65.2 | 0 | 0 | 111.6 | Y45 T46 | Y45-Q62 HydrophobicContact CD2-CB 4.29Å; T46-Q62 CarbonylContact O-C 3.55Å; T46-Q62 VanDerWaalsContact O-CA 3.29Å; T46-Q62 WeakPolarHBondContact O-CA 3.43Å |
| 63 | T | 95.5 | Very high | 88.7 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 169.6 | 162.3 | 67.1 | 0 | 0 | 0 | 0 | 110 | V27 T46 L48 W74 E76 F78 | V27-T63 HydrophobicContact CB-CG2 4.02Å; V27-T63 HydrophobicContact CG1-CG2 4Å; V27-T63 HydrophobicContact CG2-CG2 4.31Å; T46-T63 PolarHBondContact N-OG1 2.76Å; T46-T63 PolarHBondContact O-N 3.09Å; L48-T63 HydrophobicContact CD1-CG2 4.46Å; T63-W74 HydrophobicContact CG2-CB 4.13Å; T63-W74 HydrophobicContact CG2-CD2 4.38Å; T63-W74 HydrophobicContact CG2-CG 4.03Å; T63-W74 PolarHBondContact OG1-NE1 3.08Å; T63-E76 WeakPolarHBondContact CA-OE1 3.42Å; T63-E76 VanDerWaalsContact CB-OE1 3.28Å; T63-E76 WeakPolarHBondContact CB-OE1 3.47Å; T63-F78 HydrophobicContact CG2-CE2 4.04Å; T63-F78 HydrophobicContact CG2-CZ 4.05Å |
| 64 | K | 92.8 | Very high | 89.3 | Confident | 148 Ų | 148 | 73.4 Ų | 73.4 | 64% | 0.643 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 156.8 | 159.8 | -62.1 | 168 | -167.7 | 173.2 | 0 | 110 | W74 E76 | K64-W74 PolarHBondContact O-NE1 2.78Å; K64-E76 WeakPolarHBondContact CE-OE2 3.45Å; K64-E76 PolarHBondContact N-OE1 3.3Å |
| 65 | T | 92.3 | Very high | 89.7 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -72 | 139.7 | 163.5 | -34.9 | 0 | 0 | 0 | 0 | 110.4 | D43 E96 | D43-T65 HydrophobicContact CB-CG2 3.89Å; D43-T65 WeakPolarHBondContact O-CG2 3.41Å; T65-E96 VanDerWaalsContact CB-OE2 3.23Å; T65-E96 WeakPolarHBondContact CB-OE2 3.46Å; T65-E96 HydrophobicContact CG2-CB 3.56Å; T65-E96 HydrophobicContact CG2-CG 4.4Å; T65-E96 VanDerWaalsContact CG2-OE2 3.26Å; T65-E96 WeakPolarHBondContact CG2-OE2 3.06Å; T65-E96 PolarHBondContact OG1-OE2 2.88Å |
| 66 | I | 88.3 | Confident | 90.3 | Very high | 52 Ų | 52 | 66.9 Ų | 66.9 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | trans | -115.6 | 127.4 | 166.1 | -65.7 | 178 | 0 | 0 | 0 | 107.3 | D43 P44 T69 P72 K73 W74 | D43-I66 CarbonylContact C-O 3.44Å; D43-I66 WeakPolarHBondContact CA-O 3.41Å; P44-I66 WeakPolarHBondContact CD-O 3.13Å; P44-I66 PolarHBondContact O-N 2.92Å; I66-T69 HydrophobicContact CB-CG2 4.47Å; I66-T69 HydrophobicContact CG2-CG2 3.71Å; I66-P72 HydrophobicContact CB-CB 3.94Å; I66-P72 HydrophobicContact CD1-CB 4.12Å; I66-P72 HydrophobicContact CG2-CB 4.24Å; I66-K73 VanDerWaalsContact CD1-C 3.47Å; I66-W74 HydrophobicContact CD1-CB 4.43Å; I66-W74 HydrophobicContact CD1-CG 3.98Å | ||
| 67 | K | 85 | Confident | 90.8 | Very high | 103 Ų | 103 | 68.9 Ų | 68.9 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | trans | -87.5 | 150.9 | -167.8 | -61.2 | -163.6 | 170 | -84.1 | 0 | 113.9 | D43 T69 E96 | D43-K67 HydrophobicContact CB-CG 4.4Å; D43-K67 WeakPolarHBondContact OD1-CA 3.43Å; D43-K67 WeakPolarHBondContact OD1-CB 3.32Å; D43-K67 VanDerWaalsContact OD2-CD 3.3Å; D43-K67 WeakPolarHBondContact OD2-CD 3.15Å; D43-K67 WeakPolarHBondContact OD2-CE 3.39Å; D43-K67 VanDerWaalsContact OD2-CG 3.26Å; D43-K67 WeakPolarHBondContact OD2-CG 3.43Å; D43-K67 IonicContact OD2-NZ 2.69Å; D43-K67 PolarHBondContact OD2-NZ 3.26Å; K67-T69 PolarHBondContact O-N 3.29Å; K67-E96 IonicContact NZ-OE2 3.69Å | ||
| 68 | K | 82.2 | Confident | 91 | Very high | 160 Ų | 160 | 64.2 Ų | 64.2 | 70% | 0.696 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 49.5 | 50.9 | 171.3 | -58.6 | -171 | 177 | -170.4 | 0 | 114.6 | A41 S42 D43 | A41-K68 HydrophobicContact CB-CB 4.35Å; A41-K68 WeakPolarHBondContact O-CA 3.45Å; S42-K68 CarbonylContact O-C 3.59Å; S42-K68 VanDerWaalsContact O-CA 3.24Å; S42-K68 WeakPolarHBondContact O-CA 3.4Å; S42-K68 PolarHBondContact O-N 3.32Å; D43-K68 PolarHBondContact OD1-N 3.42Å |
| 69 | T | 84.1 | Confident | 91.2 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 23% | 0.233 | 30% | 0.303 | C | S | . | . | trans | -153.2 | 145.5 | 179.7 | -169.8 | 0 | 0 | 0 | 0 | 114.3 | S42 P44 I66 K67 D71 P72 | S42-T69 PolarHBondContact O-N 3.33Å; P44-T69 VanDerWaalsContact CD-O 3.25Å; P44-T69 WeakPolarHBondContact CD-O 3.19Å; P44-T69 HydrophobicContact CG-CG2 4.34Å; P44-T69 VanDerWaalsContact CG-O 3.32Å; P44-T69 WeakPolarHBondContact CG-O 3.41Å; I66-T69 HydrophobicContact CB-CG2 4.47Å; I66-T69 HydrophobicContact CG2-CG2 3.71Å; K67-T69 PolarHBondContact O-N 3.29Å; T69-D71 PolarHBondContact OG1-N 2.98Å; T69-D71 VanDerWaalsContact OG1-N 3.11Å; T69-P72 HydrophobicContact CG2-CB 3.86Å | ||
| 70 | L | 87.6 | Confident | 91.2 | Very high | 46 Ų | 46 | 61.2 Ų | 61.2 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -96.6 | -0.4 | 169 | -56.2 | 179.5 | 0 | 0 | 0 | 112.8 | G32 L33 K35 P72 | G32-L70 PolarHBondContact N-O 2.74Å; L33-L70 HydrophobicContact CB-CB 4.42Å; L33-L70 WeakPolarHBondContact CB-O 3.41Å; L33-L70 VanDerWaalsContact CG-O 3.31Å; L33-L70 WeakPolarHBondContact CG-O 3.5Å; L33-L70 PolarHBondContact N-O 2.78Å; K35-L70 HydrophobicContact CB-CD1 4.35Å; K35-L70 HydrophobicContact CB-CD2 3.95Å; K35-L70 HydrophobicContact CG-CD2 4.49Å; L70-P72 VanDerWaalsContact C-CD 3.42Å |
| 71 | D | 89.6 | Confident | 91.1 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -131.3 | 54.6 | -178.3 | -65.4 | -82.5 | 0 | 0 | 0 | 111.8 | G30 I31 G32 T69 | G30-D71 CarbonylContact O-C 3.58Å; G30-D71 VanDerWaalsContact O-CA 3.31Å; G30-D71 WeakPolarHBondContact O-CA 3.42Å; I31-D71 VanDerWaalsContact CA-OD1 3.32Å; I31-D71 WeakPolarHBondContact CA-OD1 3.28Å; G32-D71 PolarHBondContact N-OD1 2.72Å; T69-D71 PolarHBondContact OG1-N 2.98Å; T69-D71 VanDerWaalsContact OG1-N 3.11Å |
| 72 | P | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | trans | -64.8 | 147.6 | -175.4 | 30.1 | -38.8 | 0 | 0 | 0 | 112.3 | A29 G30 L33 P44 I66 T69 L70 W74 | A29-P72 CarbonylContact C-O 3.55Å; A29-P72 WeakPolarHBondContact CA-O 3.35Å; A29-P72 WeakPolarHBondContact CB-O 3.42Å; G30-P72 PolarHBondContact N-O 3.2Å; L33-P72 HydrophobicContact CD1-CG 3.78Å; P44-P72 HydrophobicContact CB-CG 4.16Å; P44-P72 HydrophobicContact CG-CB 3.8Å; P44-P72 HydrophobicContact CG-CG 3.54Å; I66-P72 HydrophobicContact CB-CB 3.94Å; I66-P72 HydrophobicContact CD1-CB 4.12Å; I66-P72 HydrophobicContact CG2-CB 4.24Å; T69-P72 HydrophobicContact CG2-CB 3.86Å; L70-P72 VanDerWaalsContact C-CD 3.42Å; P72-W74 HydrophobicContact CB-CD2 4.3Å; P72-W74 HydrophobicContact CB-CH2 4.19Å; P72-W74 HydrophobicContact CB-CZ2 3.8Å; P72-W74 HydrophobicContact CG-CD2 4.48Å; P72-W74 HydrophobicContact CG-CE3 4.4Å; P72-W74 HydrophobicContact CG-CH2 3.41Å; P72-W74 VanDerWaalsContact CG-CH2 3.41Å; P72-W74 HydrophobicContact CG-CZ2 3.44Å; P72-W74 VanDerWaalsContact CG-CZ2 3.44Å; P72-W74 HydrophobicContact CG-CZ3 3.92Å | ||
| 73 | K | 94.2 | Very high | 90.9 | Very high | 149 Ų | 149 | 54.9 Ų | 54.9 | 65% | 0.648 | 26% | 0.257 | S | S | * | . | trans | -126.4 | 66.7 | -175.7 | -66.3 | 178.5 | -175.5 | 169.9 | 0 | 112.8 | I28 A29 I66 N75 | I28-K73 CarbonylContact O-C 3.6Å; I28-K73 VanDerWaalsContact O-C 3.32Å; I28-K73 WeakPolarHBondContact O-CA 3.2Å; A29-K73 HydrophobicContact CB-CG 4.14Å; I66-K73 VanDerWaalsContact CD1-C 3.47Å; K73-N75 PolarHBondContact O-N 2.87Å; K73-N75 PolarHBondContact O-ND2 2.91Å | ||
| 74 | W | 95 | Very high | 90.5 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | trans | -55.7 | -48.8 | -176.2 | -56 | -74.6 | 0 | 0 | 0 | 114.1 | V27 I28 P44 T46 T63 K64 I66 P72 E76 V93 L146 | V27-W74 HydrophobicContact CG1-CD2 4.38Å; V27-W74 HydrophobicContact CG1-CE3 3.67Å; V27-W74 HydrophobicContact CG1-CZ3 4.13Å; I28-W74 PolarHBondContact O-N 2.87Å; I28-W74 VanDerWaalsContact O-N 3.15Å; P44-W74 HydrophobicContact CB-CZ2 4.17Å; P44-W74 PolarHBondContact O-NE1 3.11Å; T46-W74 WeakPolarHBondContact OG1-CH2 3.38Å; T46-W74 WeakPolarHBondContact OG1-CZ3 3.47Å; T63-W74 HydrophobicContact CG2-CB 4.13Å; T63-W74 HydrophobicContact CG2-CD2 4.38Å; T63-W74 HydrophobicContact CG2-CG 4.03Å; T63-W74 PolarHBondContact OG1-NE1 3.08Å; K64-W74 PolarHBondContact O-NE1 2.78Å; I66-W74 HydrophobicContact CD1-CB 4.43Å; I66-W74 HydrophobicContact CD1-CG 3.98Å; P72-W74 HydrophobicContact CB-CD2 4.3Å; P72-W74 HydrophobicContact CB-CH2 4.19Å; P72-W74 HydrophobicContact CB-CZ2 3.8Å; P72-W74 HydrophobicContact CG-CD2 4.48Å; P72-W74 HydrophobicContact CG-CE3 4.4Å; P72-W74 HydrophobicContact CG-CH2 3.41Å; P72-W74 VanDerWaalsContact CG-CH2 3.41Å; P72-W74 HydrophobicContact CG-CZ2 3.44Å; P72-W74 VanDerWaalsContact CG-CZ2 3.44Å; P72-W74 HydrophobicContact CG-CZ3 3.92Å; W74-E76 HydrophobicContact CB-CG 4.37Å; W74-E76 PolarHBondContact O-N 2.8Å; W74-V93 HydrophobicContact CH2-CG1 4.15Å; W74-L146 HydrophobicContact CH2-CD1 4.36Å; W74-L146 HydrophobicContact CZ3-CD1 3.71Å | ||
| 75 | N | 91.6 | Very high | 90.1 | Very high | 80 Ų | 80 | 60.1 Ų | 60.1 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | trans | 55.6 | 22.9 | -175.4 | -66.1 | -84 | 0 | 0 | 0 | 115.6 | K26 V27 I28 K73 | K26-N75 WeakPolarHBondContact CE-O 3.11Å; V27-N75 CarbonylContact O-C 3.45Å; V27-N75 WeakPolarHBondContact O-CA 3.35Å; V27-N75 PolarHBondContact O-N 2.8Å; I28-N75 PolarHBondContact O-N 3.07Å; I28-N75 VanDerWaalsContact O-N 3.16Å; K73-N75 PolarHBondContact O-N 2.87Å; K73-N75 PolarHBondContact O-ND2 2.91Å | ||
| 76 | E | 93.1 | Very high | 89.8 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 146.6 | -175 | -64 | -172.8 | -95.3 | 0 | 0 | 112.3 | K26 V27 T63 K64 W74 F78 | K26-E76 CarbonylContact C-O 3.56Å; K26-E76 WeakPolarHBondContact CA-O 3.32Å; V27-E76 PolarHBondContact N-O 3.16Å; V27-E76 PolarHBondContact O-N 3.11Å; V27-E76 VanDerWaalsContact O-N 3.08Å; T63-E76 WeakPolarHBondContact CA-OE1 3.42Å; T63-E76 VanDerWaalsContact CB-OE1 3.28Å; T63-E76 WeakPolarHBondContact CB-OE1 3.47Å; K64-E76 WeakPolarHBondContact CE-OE2 3.45Å; K64-E76 PolarHBondContact N-OE1 3.3Å; W74-E76 HydrophobicContact CB-CG 4.37Å; W74-E76 PolarHBondContact O-N 2.8Å; E76-F78 HydrophobicContact CB-CE2 4.05Å; E76-F78 HydrophobicContact CB-CZ 4.06Å |
| 77 | E | 93.3 | Very high | 89.9 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.2 | -175.7 | -68.6 | -174.3 | -175.3 | 0 | 0 | 112 | K24 V25 K26 Y79 | K24-E77 VanDerWaalsContact CE-CD 3.45Å; K24-E77 WeakPolarHBondContact CE-OE2 3.2Å; K24-E77 IonicContact NZ-OE1 3.17Å; K24-E77 IonicContact NZ-OE2 2.71Å; K24-E77 PolarHBondContact NZ-OE2 3.25Å; V25-E77 CarbonylContact O-C 3.58Å; V25-E77 WeakPolarHBondContact O-CA 3.29Å; K26-E77 HydrophobicContact CB-CG 4.02Å; K26-E77 HydrophobicContact CD-CG 3.76Å; K26-E77 WeakPolarHBondContact CD-OE1 3.42Å; K26-E77 WeakPolarHBondContact CE-OE1 3.47Å; K26-E77 HydrophobicContact CG-CG 3.7Å; K26-E77 IonicContact NZ-OE1 2.69Å; K26-E77 PolarHBondContact NZ-OE1 2.87Å; E77-Y79 HydrophobicContact CB-CE2 4.24Å; E77-Y79 PolarHBondContact OE2-OH 3.5Å; E77-Y79 VanDerWaalsContact OE2-OH 3.04Å |
| 78 | F | 93.1 | Very high | 90.4 | Very high | 25 Ų | 25 | 57 Ų | 57 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.1 | -178.2 | -53.6 | -80.3 | 0 | 0 | 0 | 110.4 | V25 V27 L48 L61 T63 E76 F80 | V25-F78 PolarHBondContact N-O 2.89Å; V25-F78 PolarHBondContact O-N 2.71Å; V27-F78 HydrophobicContact CB-CE2 4.49Å; V27-F78 HydrophobicContact CG2-CD2 4.23Å; V27-F78 HydrophobicContact CG2-CE2 3.92Å; L48-F78 HydrophobicContact CD1-CD2 4.13Å; L48-F78 HydrophobicContact CD1-CE2 3.71Å; L48-F78 HydrophobicContact CD1-CZ 4.04Å; L48-F78 HydrophobicContact CD2-CD2 3.58Å; L48-F78 HydrophobicContact CD2-CE2 3.99Å; L48-F78 HydrophobicContact CD2-CG 4.2Å; L61-F78 HydrophobicContact CB-CD1 4.15Å; L61-F78 HydrophobicContact CB-CE1 4.24Å; L61-F78 HydrophobicContact CD1-CB 4.17Å; L61-F78 HydrophobicContact CD1-CD1 3.69Å; L61-F78 HydrophobicContact CD1-CG 4.26Å; T63-F78 HydrophobicContact CG2-CE2 4.04Å; T63-F78 HydrophobicContact CG2-CZ 4.05Å; E76-F78 HydrophobicContact CB-CE2 4.05Å; E76-F78 HydrophobicContact CB-CZ 4.06Å; F78-F80 HydrophobicContact CB-CD2 4.43Å; F78-F80 HydrophobicContact CB-CE2 3.73Å; F78-F80 HydrophobicContact CB-CZ 4.29Å |
| 79 | Y | 92.9 | Very high | 90.9 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.2 | -175.8 | -64 | -94.6 | 0 | 0 | 0 | 110.1 | V5 I10 R11 L23 K24 E77 L153 | V5-Y79 HydrophobicContact CG1-CD1 4.18Å; V5-Y79 HydrophobicContact CG1-CD2 4.28Å; V5-Y79 HydrophobicContact CG1-CE1 4.45Å; V5-Y79 HydrophobicContact CG1-CG 4.1Å; V5-Y79 HydrophobicContact CG2-CD1 4.34Å; V5-Y79 HydrophobicContact CG2-CE1 3.93Å; I10-Y79 CarbonylContact C-O 3.56Å; I10-Y79 WeakPolarHBondContact CA-O 3.21Å; R11-Y79 PolarHBondContact N-O 2.84Å; L23-Y79 WeakPolarHBondContact O-CA 3.22Å; K24-Y79 HydrophobicContact CB-CD1 4.2Å; K24-Y79 HydrophobicContact CB-CE1 3.98Å; K24-Y79 HydrophobicContact CD-CE1 3.81Å; K24-Y79 VanDerWaalsContact CE-OH 3.29Å; K24-Y79 WeakPolarHBondContact CE-OH 3.03Å; K24-Y79 HydrophobicContact CG-CD1 4.35Å; K24-Y79 HydrophobicContact CG-CE1 3.76Å; K24-Y79 PolarHBondContact NZ-OH 2.86Å; E77-Y79 HydrophobicContact CB-CE2 4.24Å; E77-Y79 PolarHBondContact OE2-OH 3.5Å; E77-Y79 VanDerWaalsContact OE2-OH 3.04Å; Y79-L153 HydrophobicContact CD1-CD1 4.36Å; Y79-L153 HydrophobicContact CE1-CD1 4.39Å |
| 80 | F | 91.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.4 | -177.2 | -61.3 | -91 | 0 | 0 | 0 | 110.9 | R11 I22 L23 V25 L48 L50 T59 L61 F78 V82 L89 | R11-F80 HydrophobicContact CB-CD1 4.26Å; R11-F80 CarbonylContact O-C 3.59Å; R11-F80 VanDerWaalsContact O-CA 3.27Å; R11-F80 WeakPolarHBondContact O-CA 3.49Å; I22-F80 CarbonylContact C-O 3.53Å; I22-F80 WeakPolarHBondContact CA-O 3.42Å; L23-F80 PolarHBondContact N-O 3.11Å; L23-F80 PolarHBondContact O-N 3.46Å; V25-F80 HydrophobicContact CB-CE2 4.32Å; V25-F80 HydrophobicContact CG2-CD2 3.88Å; V25-F80 HydrophobicContact CG2-CE2 4.03Å; L48-F80 HydrophobicContact CB-CZ 4.14Å; L48-F80 HydrophobicContact CD2-CE2 4.29Å; L48-F80 HydrophobicContact CD2-CZ 4.39Å; L50-F80 HydrophobicContact CB-CD1 4.11Å; L50-F80 HydrophobicContact CB-CE1 4.24Å; L50-F80 HydrophobicContact CD2-CD1 4.18Å; T59-F80 HydrophobicContact CG2-CD1 4.07Å; T59-F80 HydrophobicContact CG2-CE1 4.07Å; L61-F80 HydrophobicContact CD1-CE1 3.87Å; L61-F80 HydrophobicContact CD1-CZ 3.74Å; L61-F80 HydrophobicContact CG-CE1 4.34Å; L61-F80 HydrophobicContact CG-CZ 4.36Å; F78-F80 HydrophobicContact CB-CD2 4.43Å; F78-F80 HydrophobicContact CB-CE2 3.73Å; F78-F80 HydrophobicContact CB-CZ 4.29Å; F80-V82 HydrophobicContact CB-CG1 3.6Å; F80-L89 HydrophobicContact CD1-CD1 4.46Å; F80-L89 HydrophobicContact CD2-CD1 4.29Å; F80-L89 HydrophobicContact CE1-CD1 4.39Å; F80-L89 HydrophobicContact CE2-CD1 4.22Å; F80-L89 HydrophobicContact CE2-CD2 4.14Å; F80-L89 HydrophobicContact CG-CD1 4.4Å; F80-L89 HydrophobicContact CZ-CD1 4.27Å; F80-L89 HydrophobicContact CZ-CD2 4.47Å |
| 81 | R | 91.3 | Very high | 91.9 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117.3 | 160.8 | -174.2 | -174.1 | -75 | 111.7 | -8.1 | 108.3 | I10 R11 L13 A15 D16 R21 | I10-R81 HydrophobicContact CG2-CB 4.05Å; R11-R81 PolarHBondContact O-N 2.71Å; L13-R81 HydrophobicContact CB-CB 4.31Å; L13-R81 HydrophobicContact CB-CG 3.96Å; L13-R81 PolarHBondContact N-O 2.93Å; L13-R81 VanDerWaalsContact N-O 3.09Å; L13-R81 WeakPolarHBondContact O-CD 3.15Å; L13-R81 PolarHBondContact O-NH1 2.93Å; A15-R81 WeakPolarHBondContact O-CD 3.34Å; D16-R81 IonicContact OD1-CZ 3.14Å; D16-R81 IonicContact OD1-NE 2.71Å; D16-R81 PolarHBondContact OD1-NE 3.43Å; D16-R81 IonicContact OD1-NH2 2.74Å; D16-R81 PolarHBondContact OD1-NH2 3.15Å; R21-R81 WeakPolarHBondContact O-CA 3.37Å |
| 82 | V | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154 | -172.7 | -53.3 | 0 | 0 | 0 | 0 | 111 | S20 R21 L23 L50 F80 H87 L112 Y152 | S20-V82 CarbonylContact C-O 3.57Å; S20-V82 WeakPolarHBondContact CA-O 3.04Å; R21-V82 PolarHBondContact N-O 3.2Å; R21-V82 PolarHBondContact O-N 3.16Å; L23-V82 HydrophobicContact CB-CG1 4.3Å; L23-V82 HydrophobicContact CB-CG2 3.96Å; L23-V82 HydrophobicContact CD2-CG1 4.31Å; L50-V82 HydrophobicContact CD1-CB 4.3Å; L50-V82 HydrophobicContact CD1-CG1 3.5Å; L50-V82 VanDerWaalsContact CD1-CG1 3.5Å; L50-V82 HydrophobicContact CD2-CG1 3.97Å; L50-V82 HydrophobicContact CG-CG1 4.41Å; F80-V82 HydrophobicContact CB-CG1 3.6Å; V82-H87 HydrophobicContact CB-CB 4.49Å; V82-L112 HydrophobicContact CB-CD1 3.89Å; V82-L112 HydrophobicContact CG1-CD1 3.95Å; V82-L112 HydrophobicContact CG2-CD1 3.95Å; V82-Y152 HydrophobicContact CG2-CE1 3.72Å |
| 83 | N | 90.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | trans | -89.4 | 116.8 | 160 | -177.8 | -38.4 | 0 | 0 | 0 | 108.3 | L13 T19 R85 S86 H87 | L13-N83 HydrophobicContact CD1-CB 4.46Å; T19-N83 PolarHBondContact OG1-ND2 2.83Å; N83-R85 PolarHBondContact O-N 2.94Å; N83-R85 VanDerWaalsContact O-N 3.15Å; N83-R85 PolarHBondContact OD1-N 2.89Å; N83-S86 WeakPolarHBondContact CB-OG 3.31Å; N83-S86 VanDerWaalsContact CG-OG 3.29Å; N83-S86 PolarHBondContact OD1-N 3.45Å; N83-H87 PolarHBondContact N-ND1 2.91Å; N83-H87 WeakPolarHBondContact O-CB 3.4Å; N83-H87 PolarHBondContact O-N 3.08Å; N83-H87 VanDerWaalsContact O-N 3.11Å | ||
| 84 | P | 87.3 | Confident | 92.2 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.2 | -177 | -24 | 33.9 | 0 | 0 | 0 | 115.4 | T19 R21 L112 N113 Y152 | T19-P84 VanDerWaalsContact O-CD 3.3Å; T19-P84 WeakPolarHBondContact O-CD 3.11Å; R21-P84 HydrophobicContact CB-CG 4.25Å; R21-P84 HydrophobicContact CG-CG 4.17Å; P84-L112 CarbonylContact O-C 3.54Å; P84-N113 VanDerWaalsContact O-CA 3.26Å; P84-N113 WeakPolarHBondContact O-CA 3.26Å; P84-N113 WeakPolarHBondContact O-CB 3.23Å; P84-N113 PolarHBondContact O-N 2.9Å; P84-N113 VanDerWaalsContact O-N 3.11Å; P84-Y152 WeakPolarHBondContact CA-OH 3.29Å; P84-Y152 HydrophobicContact CB-CE2 4.41Å; P84-Y152 VanDerWaalsContact CB-OH 3.27Å; P84-Y152 WeakPolarHBondContact CB-OH 3.39Å; P84-Y152 HydrophobicContact CG-CE1 4.26Å; P84-Y152 HydrophobicContact CG-CE2 4.39Å; P84-Y152 WeakPolarHBondContact CG-OH 3.2Å |
| 85 | R | 84.9 | Confident | 91.9 | Very high | 239 Ų | 239 | 36.7 Ų | 36.7 | 90% | 0.902 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -31.7 | -173.6 | -68.2 | -176.7 | 175.3 | 176.5 | -0.9 | 113.6 | N83 | N83-R85 PolarHBondContact O-N 2.94Å; N83-R85 VanDerWaalsContact O-N 3.15Å; N83-R85 PolarHBondContact OD1-N 2.89Å |
| 86 | S | 85.8 | Confident | 91.6 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 31% | 0.308 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -34.7 | -178.9 | 51.7 | 0 | 0 | 0 | 0 | 114 | P53 N83 | P53-S86 WeakPolarHBondContact CD-O 3.39Å; N83-S86 WeakPolarHBondContact CB-OG 3.31Å; N83-S86 VanDerWaalsContact CG-OG 3.29Å; N83-S86 PolarHBondContact OD1-N 3.45Å |
| 87 | H | 91.4 | Very high | 90.8 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.056 | 16% | 0.158 | C | C | . | . | trans | -86.4 | 153.4 | -170.5 | -60.8 | -175.7 | 0 | 0 | 0 | 113.2 | L50 Y51 I58 V82 N83 L112 | L50-H87 HydrophobicContact CD1-CB 3.93Å; Y51-H87 WeakPolarHBondContact O-CA 3.23Å; I58-H87 WeakPolarHBondContact CD1-CE1 3.35Å; V82-H87 HydrophobicContact CB-CB 4.49Å; N83-H87 PolarHBondContact N-ND1 2.91Å; N83-H87 WeakPolarHBondContact O-CB 3.4Å; N83-H87 PolarHBondContact O-N 3.08Å; N83-H87 VanDerWaalsContact O-N 3.11Å; H87-L112 HydrophobicContact CB-CD1 4Å; H87-L112 WeakPolarHBondContact O-CG 3.39Å | ||
| 88 | R | 93.8 | Very high | 89 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 25% | 0.253 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156.8 | 174.8 | -60.2 | -179.5 | 70.5 | 87.7 | -2.7 | 110.1 | Y51 P53 D109 | Y51-R88 HydrophobicContact CD1-CB 4.03Å; Y51-R88 HydrophobicContact CE1-CB 3.48Å; Y51-R88 VanDerWaalsContact CE1-CB 3.48Å; Y51-R88 HydrophobicContact CE2-CB 4.42Å; Y51-R88 PolarHBondContact N-O 3.03Å; Y51-R88 PolarHBondContact O-N 3.2Å; Y51-R88 WeakPolarHBondContact OH-CD 3.27Å; Y51-R88 PolarHBondContact OH-NE 2.86Å; P53-R88 HydrophobicContact CG-CG 4.21Å; R88-D109 IonicContact CZ-OD1 2.71Å; R88-D109 IonicContact CZ-OD2 3.5Å; R88-D109 VanDerWaalsContact CZ-OD2 3.25Å; R88-D109 VanDerWaalsContact NE-CG 3.34Å; R88-D109 IonicContact NE-OD1 3.45Å; R88-D109 PolarHBondContact NE-OD1 3.31Å; R88-D109 IonicContact NE-OD2 3.25Å; R88-D109 PolarHBondContact NE-OD2 3.05Å; R88-D109 IonicContact NH2-OD1 2.72Å; R88-D109 PolarHBondContact NH2-OD1 2.78Å; R88-D109 IonicContact NH2-OD2 2.85Å; R88-D109 PolarHBondContact NH2-OD2 2.81Å |
| 89 | L | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.3 | 169.7 | -138.7 | 88.6 | 0 | 0 | 0 | 109.9 | V25 L48 L50 F80 F91 V110 L112 | V25-L89 HydrophobicContact CG1-CD2 4.35Å; V25-L89 HydrophobicContact CG2-CD2 4.19Å; L48-L89 HydrophobicContact CB-CD2 4.33Å; L48-L89 HydrophobicContact CD2-CD2 4.17Å; L50-L89 HydrophobicContact CB-CD1 3.77Å; L50-L89 HydrophobicContact CD1-CD1 3.69Å; L50-L89 HydrophobicContact CG-CD1 4.35Å; F80-L89 HydrophobicContact CD1-CD1 4.46Å; F80-L89 HydrophobicContact CD2-CD1 4.29Å; F80-L89 HydrophobicContact CE1-CD1 4.39Å; F80-L89 HydrophobicContact CE2-CD1 4.22Å; F80-L89 HydrophobicContact CE2-CD2 4.14Å; F80-L89 HydrophobicContact CG-CD1 4.4Å; F80-L89 HydrophobicContact CZ-CD1 4.27Å; F80-L89 HydrophobicContact CZ-CD2 4.47Å; L89-F91 HydrophobicContact CB-CE2 4.05Å; L89-F91 HydrophobicContact CD2-CD2 4.43Å; L89-F91 HydrophobicContact CD2-CE1 3.93Å; L89-F91 HydrophobicContact CD2-CE2 3.69Å; L89-F91 HydrophobicContact CD2-CZ 3.4Å; L89-F91 VanDerWaalsContact CD2-CZ 3.4Å; L89-F91 HydrophobicContact CG-CE2 4.38Å; L89-V110 PolarHBondContact N-O 2.75Å; L89-V110 PolarHBondContact O-N 2.88Å; L89-L112 HydrophobicContact CB-CD2 4.31Å |
| 90 | L | 95.3 | Very high | 85.2 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.2 | 168.7 | -179.2 | 67.3 | 0 | 0 | 0 | 108.8 | L48 S49 Y51 E92 Q107 D109 | L48-L90 WeakPolarHBondContact CA-O 3.45Å; S49-L90 PolarHBondContact N-O 2.93Å; S49-L90 PolarHBondContact O-N 3.03Å; Y51-L90 HydrophobicContact CD1-CB 4.18Å; Y51-L90 HydrophobicContact CE1-CB 3.9Å; L90-E92 HydrophobicContact CD2-CG 4.02Å; L90-E92 HydrophobicContact CG-CG 4.06Å; L90-Q107 HydrophobicContact CD1-CB 4.1Å; L90-Q107 HydrophobicContact CD1-CG 4.47Å; L90-D109 HydrophobicContact CD1-CB 3.98Å |
| 91 | F | 96.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.9 | 166 | -58.5 | -102.4 | 0 | 0 | 0 | 108.1 | V25 V27 T46 R47 L48 L89 Q107 V108 V110 L146 L148 M150 | V25-F91 HydrophobicContact CG1-CE1 3.75Å; V25-F91 HydrophobicContact CG1-CZ 3.71Å; V27-F91 HydrophobicContact CG2-CD1 4.45Å; V27-F91 HydrophobicContact CG2-CE1 4.13Å; T46-F91 HydrophobicContact CG2-CB 4.3Å; T46-F91 HydrophobicContact CG2-CD1 4.21Å; R47-F91 CarbonylContact O-C 3.57Å; R47-F91 VanDerWaalsContact O-CA 3.31Å; R47-F91 WeakPolarHBondContact O-CA 3.06Å; L48-F91 HydrophobicContact CD2-CD1 4.05Å; L48-F91 HydrophobicContact CD2-CE1 3.61Å; L48-F91 HydrophobicContact CD2-CZ 4.5Å; L48-F91 HydrophobicContact CG-CD1 3.86Å; L48-F91 HydrophobicContact CG-CE1 3.96Å; L89-F91 HydrophobicContact CB-CE2 4.05Å; L89-F91 HydrophobicContact CD2-CD2 4.43Å; L89-F91 HydrophobicContact CD2-CE1 3.93Å; L89-F91 HydrophobicContact CD2-CE2 3.69Å; L89-F91 HydrophobicContact CD2-CZ 3.4Å; L89-F91 VanDerWaalsContact CD2-CZ 3.4Å; L89-F91 HydrophobicContact CG-CE2 4.38Å; F91-Q107 CarbonylContact O-C 3.54Å; F91-Q107 WeakPolarHBondContact O-CA 3.19Å; F91-Q107 WeakPolarHBondContact O-CB 3.26Å; F91-V108 HydrophobicContact CB-CB 4.31Å; F91-V108 HydrophobicContact CD2-CB 4.49Å; F91-V108 PolarHBondContact N-O 3.27Å; F91-V108 PolarHBondContact O-N 3.21Å; F91-V110 HydrophobicContact CD2-CG2 3.98Å; F91-V110 HydrophobicContact CE2-CB 4.3Å; F91-V110 HydrophobicContact CE2-CG2 3.69Å; F91-L146 HydrophobicContact CB-CD2 3.55Å; F91-L146 HydrophobicContact CD1-CD2 3.94Å; F91-L146 HydrophobicContact CG-CD2 3.9Å; F91-L148 HydrophobicContact CD1-CD1 4.04Å; F91-L148 HydrophobicContact CD1-CD2 3.94Å; F91-L148 HydrophobicContact CD2-CD1 3.91Å; F91-L148 HydrophobicContact CE1-CD1 3.72Å; F91-L148 HydrophobicContact CE1-CD2 3.56Å; F91-L148 HydrophobicContact CE1-CG 4.29Å; F91-L148 HydrophobicContact CE2-CD1 3.6Å; F91-L148 HydrophobicContact CG-CD1 4.12Å; F91-L148 HydrophobicContact CZ-CD1 3.49Å; F91-L148 VanDerWaalsContact CZ-CD1 3.49Å; F91-L148 HydrophobicContact CZ-CD2 4.1Å; F91-L148 HydrophobicContact CZ-CG 4.39Å; F91-M150 HydrophobicContact CE2-CE 4.42Å; F91-M150 HydrophobicContact CE2-SD 4.18Å; F91-M150 HydrophobicContact CZ-CE 4.32Å; F91-M150 HydrophobicContact CZ-SD 3.98Å |
| 92 | E | 96 | Very high | 83.9 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.5 | 170.6 | -66.1 | -179.6 | 92 | 0 | 0 | 109.1 | T46 R47 L90 F94 F104 Q107 R136 | T46-E92 CarbonylContact C-O 3.54Å; T46-E92 WeakPolarHBondContact CA-O 3.47Å; R47-E92 IonicContact CZ-OE2 2.75Å; R47-E92 VanDerWaalsContact CZ-OE2 3.27Å; R47-E92 PolarHBondContact N-O 2.74Å; R47-E92 IonicContact NE-OE2 2.69Å; R47-E92 PolarHBondContact NE-OE2 3.29Å; R47-E92 VanDerWaalsContact NE-OE2 3.07Å; R47-E92 IonicContact NH2-OE1 3.63Å; R47-E92 IonicContact NH2-OE2 3.15Å; R47-E92 PolarHBondContact NH2-OE2 2.84Å; R47-E92 PolarHBondContact O-N 2.88Å; L90-E92 HydrophobicContact CD2-CG 4.02Å; L90-E92 HydrophobicContact CG-CG 4.06Å; E92-F94 HydrophobicContact CB-CD2 4.01Å; E92-F94 HydrophobicContact CB-CE2 3.38Å; E92-F94 HydrophobicContact CB-CZ 4.13Å; E92-F94 HydrophobicContact CG-CE2 4.22Å; E92-F94 WeakPolarHBondContact OE1-CZ 3.32Å; E92-F104 HydrophobicContact CB-CE2 4.34Å; E92-F104 HydrophobicContact CG-CE2 4.23Å; E92-Q107 HydrophobicContact CG-CB 4.32Å; E92-R136 IonicContact OE1-NH1 3.89Å |
| 93 | V | 95.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.6 | 175.4 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | L33 Y45 T46 W74 L105 G106 L133 L146 | L33-V93 HydrophobicContact CD1-CG1 4.1Å; L33-V93 HydrophobicContact CD2-CG1 4.36Å; Y45-V93 WeakPolarHBondContact O-CA 3.31Å; Y45-V93 WeakPolarHBondContact O-CG1 3.45Å; T46-V93 HydrophobicContact CG2-CG2 4.45Å; W74-V93 HydrophobicContact CH2-CG1 4.15Å; V93-L105 HydrophobicContact CB-CB 4.17Å; V93-L105 HydrophobicContact CG1-CB 4.04Å; V93-L105 HydrophobicContact CG1-CD1 4.21Å; V93-L105 WeakPolarHBondContact O-CB 3.05Å; V93-L105 PolarHBondContact O-N 2.86Å; V93-G106 PolarHBondContact N-O 3.39Å; V93-G106 PolarHBondContact O-N 2.99Å; V93-L133 HydrophobicContact CB-CD2 4.45Å; V93-L133 HydrophobicContact CG2-CD1 4.44Å; V93-L133 HydrophobicContact CG2-CD2 3.7Å; V93-L146 HydrophobicContact CG2-CD1 4.05Å; V93-L146 HydrophobicContact CG2-CD2 4.2Å |
| 94 | F | 93.3 | Very high | 83.5 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154.5 | -175.6 | -76.6 | -79.7 | 0 | 0 | 0 | 111.6 | P44 Y45 R47 E92 D102 D103 F104 | P44-F94 CarbonylContact C-O 3.53Å; P44-F94 WeakPolarHBondContact CA-O 3.02Å; Y45-F94 HydrophobicContact CD1-CB 3.91Å; Y45-F94 HydrophobicContact CE1-CB 3.46Å; Y45-F94 VanDerWaalsContact CE1-CB 3.46Å; Y45-F94 HydrophobicContact CE1-CG 4.4Å; Y45-F94 HydrophobicContact CE2-CB 4.09Å; Y45-F94 HydrophobicContact CE2-CD2 4.19Å; Y45-F94 HydrophobicContact CE2-CG 4.49Å; Y45-F94 HydrophobicContact CG-CB 4.43Å; Y45-F94 PolarHBondContact N-O 2.87Å; Y45-F94 PolarHBondContact O-N 2.95Å; R47-F94 VanDerWaalsContact CZ-CE2 3.44Å; R47-F94 VanDerWaalsContact NH2-CE2 3.29Å; R47-F94 VanDerWaalsContact NH2-CZ 3.31Å; E92-F94 HydrophobicContact CB-CD2 4.01Å; E92-F94 HydrophobicContact CB-CE2 3.38Å; E92-F94 HydrophobicContact CB-CZ 4.13Å; E92-F94 HydrophobicContact CG-CE2 4.22Å; E92-F94 WeakPolarHBondContact OE1-CZ 3.32Å; F94-D102 HydrophobicContact CB-CB 4.21Å; F94-D102 HydrophobicContact CD1-CB 3.96Å; F94-D102 HydrophobicContact CG-CB 4.36Å; F94-D103 CarbonylContact C-O 3.51Å; F94-D103 WeakPolarHBondContact CA-O 3.31Å; F94-F104 HydrophobicContact CD1-CB 4.47Å; F94-F104 HydrophobicContact CE1-CB 4.17Å; F94-F104 AromaticContact CE1-CD2 3.96Å; F94-F104 HydrophobicContact CE1-CD2 3.96Å; F94-F104 AromaticContact CZ-CD2 3.99Å; F94-F104 HydrophobicContact CZ-CD2 3.99Å |
| 95 | D | 88.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.9 | 165.9 | -129.2 | -20.9 | 0 | 0 | 0 | 108.5 | K36 S42 D43 N97 D102 D103 L105 | K36-D95 WeakPolarHBondContact CB-OD2 3.18Å; S42-D95 WeakPolarHBondContact CA-OD1 3.46Å; S42-D95 VanDerWaalsContact CB-CG 3.47Å; S42-D95 WeakPolarHBondContact CB-OD1 3.41Å; S42-D95 WeakPolarHBondContact CB-OD2 3.13Å; S42-D95 PolarHBondContact OG-OD1 2.92Å; S42-D95 PolarHBondContact OG-OD2 2.77Å; D43-D95 PolarHBondContact N-OD1 3.4Å; D95-N97 PolarHBondContact O-N 3.22Å; D95-D102 CarbonylContact O-C 3.56Å; D95-D102 WeakPolarHBondContact O-CA 3.41Å; D95-D102 WeakPolarHBondContact O-CB 3.15Å; D95-D103 HydrophobicContact CB-CB 3.75Å; D95-D103 PolarHBondContact N-O 2.87Å; D95-D103 PolarHBondContact O-N 2.84Å; D95-D103 VanDerWaalsContact O-N 3.09Å; D95-L105 HydrophobicContact CB-CD1 4.27Å; D95-L105 HydrophobicContact CB-CD2 4.09Å; D95-L105 HydrophobicContact CB-CG 4.3Å |
| 96 | E | 84.4 | Confident | 84 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 35% | 0.346 | 21% | 0.205 | S | C | . | . | trans | -77.6 | 99.3 | -178.9 | -173.1 | -178.8 | -145.1 | 0 | 0 | 111.3 | D43 Y45 T65 K67 | D43-E96 HydrophobicContact CB-CB 4.48Å; D43-E96 PolarHBondContact O-N 3.1Å; Y45-E96 HydrophobicContact CD1-CB 4.03Å; Y45-E96 HydrophobicContact CE1-CB 4.24Å; T65-E96 VanDerWaalsContact CB-OE2 3.23Å; T65-E96 WeakPolarHBondContact CB-OE2 3.46Å; T65-E96 HydrophobicContact CG2-CB 3.56Å; T65-E96 HydrophobicContact CG2-CG 4.4Å; T65-E96 VanDerWaalsContact CG2-OE2 3.26Å; T65-E96 WeakPolarHBondContact CG2-OE2 3.06Å; T65-E96 PolarHBondContact OG1-OE2 2.88Å; K67-E96 IonicContact NZ-OE2 3.69Å | ||
| 97 | N | 77.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -88.8 | 115.7 | -174.4 | -88.7 | -33.1 | 0 | 0 | 0 | 111.5 | D95 L99 T100 R101 D102 D103 | D95-N97 PolarHBondContact O-N 3.22Å; N97-L99 VanDerWaalsContact C-N 3.27Å; N97-L99 PolarHBondContact O-N 3.5Å; N97-T100 VanDerWaalsContact CB-OG1 3.26Å; N97-T100 WeakPolarHBondContact CB-OG1 3.26Å; N97-T100 VanDerWaalsContact CG-OG1 3.22Å; N97-T100 PolarHBondContact ND2-OG1 3.1Å; N97-R101 PolarHBondContact ND2-O 2.72Å; N97-D102 PolarHBondContact N-OD1 3.21Å; N97-D103 PolarHBondContact ND2-N 2.92Å; N97-D103 PolarHBondContact ND2-OD2 2.78Å | ||
| 98 | R | 54.4 | Low | 84.6 | Confident | 185 Ų | 185 | 44.8 Ų | 44.8 | 70% | 0.698 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -67 | -21.1 | 177.6 | -77.9 | -178.9 | 154.5 | -158.3 | -8.3 | 115.1 | ||
| 99 | L | 46.4 | Very low | 84.7 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 35% | 0.346 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -123.2 | -17.6 | -169 | -62.7 | -179.9 | 0 | 0 | 0 | 114.4 | N97 W704 L713 | N97-L99 VanDerWaalsContact C-N 3.27Å; N97-L99 PolarHBondContact O-N 3.5Å; L99-W704 HydrophobicContact CD1-CD2 4.3Å; L99-W704 HydrophobicContact CD1-CE3 4.09Å; L99-W704 HydrophobicContact CD2-CD2 3.86Å; L99-W704 HydrophobicContact CD2-CE3 4.05Å; L99-W704 HydrophobicContact CD2-CH2 3.86Å; L99-W704 HydrophobicContact CD2-CZ2 3.6Å; L99-W704 HydrophobicContact CD2-CZ3 4.08Å; L99-L713 HydrophobicContact CD1-CD1 4.05Å; L99-L713 HydrophobicContact CD1-CD2 4.16Å; L99-L713 HydrophobicContact CD2-CD2 4.27Å; L99-L713 HydrophobicContact CG-CD2 4.43Å |
| 100 | T | 61.3 | Low | 84.5 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 45% | 0.454 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -131.8 | -161.7 | -172.3 | 52.1 | 0 | 0 | 0 | 0 | 109.5 | N97 | N97-T100 VanDerWaalsContact CB-OG1 3.26Å; N97-T100 WeakPolarHBondContact CB-OG1 3.26Å; N97-T100 VanDerWaalsContact CG-OG1 3.22Å; N97-T100 PolarHBondContact ND2-OG1 3.1Å |
| 101 | R | 71 | Confident | 84.3 | Confident | 230 Ų | 230 | 45.4 Ų | 45.4 | 87% | 0.868 | 21% | 0.212 | S | C | * | . | P | Polyproline II helix | trans | -88.7 | 144.4 | 168.2 | -73 | -177 | 173.9 | -172.4 | -3 | 109.4 | N97 D103 | N97-R101 PolarHBondContact ND2-O 2.72Å; R101-D103 PolarHBondContact O-N 2.79Å |
| 102 | D | 82.6 | Confident | 83.9 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -51 | 131.7 | 177.2 | -60.9 | -19.6 | 0 | 0 | 0 | 113.2 | Y45 F94 D95 N97 | Y45-D102 HydrophobicContact CE1-CB 4.27Å; Y45-D102 WeakPolarHBondContact CE1-OD2 3.27Å; Y45-D102 PolarHBondContact OH-OD2 3.41Å; F94-D102 HydrophobicContact CB-CB 4.21Å; F94-D102 HydrophobicContact CD1-CB 3.96Å; F94-D102 HydrophobicContact CG-CB 4.36Å; D95-D102 CarbonylContact O-C 3.56Å; D95-D102 WeakPolarHBondContact O-CA 3.41Å; D95-D102 WeakPolarHBondContact O-CB 3.15Å; N97-D102 PolarHBondContact N-OD1 3.21Å |
| 103 | D | 84.2 | Confident | 83.4 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 21% | 0.214 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 138.7 | -171.2 | -108.8 | -57.5 | 0 | 0 | 0 | 112 | K36 F94 D95 N97 R101 L105 | K36-D103 HydrophobicContact CB-CB 3.81Å; K36-D103 HydrophobicContact CD-CB 3.82Å; K36-D103 HydrophobicContact CG-CB 3.99Å; F94-D103 CarbonylContact C-O 3.51Å; F94-D103 WeakPolarHBondContact CA-O 3.31Å; D95-D103 HydrophobicContact CB-CB 3.75Å; D95-D103 PolarHBondContact N-O 2.87Å; D95-D103 PolarHBondContact O-N 2.84Å; D95-D103 VanDerWaalsContact O-N 3.09Å; N97-D103 PolarHBondContact ND2-N 2.92Å; N97-D103 PolarHBondContact ND2-OD2 2.78Å; R101-D103 PolarHBondContact O-N 2.79Å; D103-L105 PolarHBondContact O-N 3.29Å |
| 104 | F | 90.1 | Very high | 82.6 | Confident | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 114.1 | -171.6 | 178.8 | -93.9 | 0 | 0 | 0 | 112.1 | K36 E92 F94 G106 Q107 R136 V142 | K36-F104 VanDerWaalsContact CE-O 3.28Å; K36-F104 WeakPolarHBondContact CE-O 3.16Å; E92-F104 HydrophobicContact CB-CE2 4.34Å; E92-F104 HydrophobicContact CG-CE2 4.23Å; F94-F104 HydrophobicContact CD1-CB 4.47Å; F94-F104 HydrophobicContact CE1-CB 4.17Å; F94-F104 AromaticContact CE1-CD2 3.96Å; F94-F104 HydrophobicContact CE1-CD2 3.96Å; F94-F104 AromaticContact CZ-CD2 3.99Å; F94-F104 HydrophobicContact CZ-CD2 3.99Å; F104-G106 VanDerWaalsContact CE1-CA 3.48Å; F104-Q107 HydrophobicContact CE2-CB 4.14Å; F104-Q107 HydrophobicContact CZ-CB 3.78Å; F104-Q107 HydrophobicContact CZ-CG 3.99Å; F104-R136 HydrophobicContact CD1-CG 3.86Å; F104-R136 HydrophobicContact CD2-CG 4.48Å; F104-R136 VanDerWaalsContact CD2-NH1 3.29Å; F104-R136 HydrophobicContact CE1-CB 3.83Å; F104-R136 HydrophobicContact CE1-CG 3.64Å; F104-R136 HydrophobicContact CE2-CB 4.32Å; F104-R136 HydrophobicContact CE2-CG 4.27Å; F104-R136 HydrophobicContact CG-CG 4.25Å; F104-R136 HydrophobicContact CZ-CB 3.68Å; F104-R136 HydrophobicContact CZ-CG 3.84Å; F104-V142 HydrophobicContact CD1-CG1 4.13Å; F104-V142 HydrophobicContact CE1-CG1 3.95Å |
| 105 | L | 88.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -24.8 | -177.5 | -52.4 | -170.1 | 0 | 0 | 0 | 112.6 | L33 A34 K36 P44 V93 D95 D103 V142 | L33-L105 HydrophobicContact CD1-CD1 4.18Å; A34-L105 WeakPolarHBondContact O-CD2 3.34Å; K36-L105 HydrophobicContact CB-CD2 4.36Å; K36-L105 HydrophobicContact CD-CD2 3.89Å; K36-L105 HydrophobicContact CG-CD2 3.48Å; K36-L105 VanDerWaalsContact CG-CD2 3.48Å; P44-L105 HydrophobicContact CB-CD1 3.87Å; V93-L105 HydrophobicContact CB-CB 4.17Å; V93-L105 HydrophobicContact CG1-CB 4.04Å; V93-L105 HydrophobicContact CG1-CD1 4.21Å; V93-L105 WeakPolarHBondContact O-CB 3.05Å; V93-L105 PolarHBondContact O-N 2.86Å; D95-L105 HydrophobicContact CB-CD1 4.27Å; D95-L105 HydrophobicContact CB-CD2 4.09Å; D95-L105 HydrophobicContact CB-CG 4.3Å; D103-L105 PolarHBondContact O-N 3.29Å; L105-V142 VanDerWaalsContact O-CB 3.27Å; L105-V142 WeakPolarHBondContact O-CB 3.24Å; L105-V142 WeakPolarHBondContact O-CG1 3.38Å |
| 106 | G | 92.4 | Very high | 82 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.5 | 174.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V93 F104 | V93-G106 PolarHBondContact N-O 3.39Å; V93-G106 PolarHBondContact O-N 2.99Å; F104-G106 VanDerWaalsContact CE1-CA 3.48Å |
| 107 | Q | 95.9 | Very high | 81.9 | Confident | 48 Ų | 48 | 59.3 Ų | 59.3 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.6 | 174.3 | 67.8 | -176.7 | 75.9 | 0 | 0 | 114.1 | L90 F91 E92 F104 H134 R136 | L90-Q107 HydrophobicContact CD1-CB 4.1Å; L90-Q107 HydrophobicContact CD1-CG 4.47Å; F91-Q107 CarbonylContact O-C 3.54Å; F91-Q107 WeakPolarHBondContact O-CA 3.19Å; F91-Q107 WeakPolarHBondContact O-CB 3.26Å; E92-Q107 HydrophobicContact CG-CB 4.32Å; F104-Q107 HydrophobicContact CE2-CB 4.14Å; F104-Q107 HydrophobicContact CZ-CB 3.78Å; F104-Q107 HydrophobicContact CZ-CG 3.99Å; Q107-H134 HydrophobicContact CG-CB 4.38Å; Q107-H134 PolarHBondContact N-O 2.69Å; Q107-H134 PolarHBondContact O-N 3.41Å; Q107-R136 VanDerWaalsContact OE1-CB 3.23Å |
| 108 | V | 95.2 | Very high | 81.9 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127 | 168.3 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | F91 V110 F131 L133 L146 | F91-V108 HydrophobicContact CB-CB 4.31Å; F91-V108 HydrophobicContact CD2-CB 4.49Å; F91-V108 PolarHBondContact N-O 3.27Å; F91-V108 PolarHBondContact O-N 3.21Å; V108-V110 HydrophobicContact CG1-CG2 3.78Å; V108-F131 HydrophobicContact CB-CB 4.35Å; V108-F131 HydrophobicContact CG1-CB 3.61Å; V108-F131 HydrophobicContact CG1-CD1 3.62Å; V108-F131 HydrophobicContact CG1-CG 3.86Å; V108-F131 HydrophobicContact CG2-CB 3.8Å; V108-L133 HydrophobicContact CG2-CD2 3.98Å; V108-L146 HydrophobicContact CG2-CB 4.14Å; V108-L146 HydrophobicContact CG2-CD2 4.26Å |
| 109 | D | 94.6 | Very high | 82.6 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.4 | 177.5 | 170.9 | 24.8 | 0 | 0 | 0 | 109.9 | Y51 R88 L90 | Y51-D109 PolarHBondContact OH-OD1 3.14Å; Y51-D109 PolarHBondContact OH-OD2 2.9Å; R88-D109 IonicContact CZ-OD1 2.71Å; R88-D109 IonicContact CZ-OD2 3.5Å; R88-D109 VanDerWaalsContact CZ-OD2 3.25Å; R88-D109 VanDerWaalsContact NE-CG 3.34Å; R88-D109 IonicContact NE-OD1 3.45Å; R88-D109 PolarHBondContact NE-OD1 3.31Å; R88-D109 IonicContact NE-OD2 3.25Å; R88-D109 PolarHBondContact NE-OD2 3.05Å; R88-D109 IonicContact NH2-OD1 2.72Å; R88-D109 PolarHBondContact NH2-OD1 2.78Å; R88-D109 IonicContact NH2-OD2 2.85Å; R88-D109 PolarHBondContact NH2-OD2 2.81Å; L90-D109 HydrophobicContact CD1-CB 3.98Å |
| 110 | V | 90.8 | Very high | 83.3 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.6 | -167.2 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | L89 F91 V108 I115 F131 M150 | L89-V110 PolarHBondContact N-O 2.75Å; L89-V110 PolarHBondContact O-N 2.88Å; F91-V110 HydrophobicContact CD2-CG2 3.98Å; F91-V110 HydrophobicContact CE2-CB 4.3Å; F91-V110 HydrophobicContact CE2-CG2 3.69Å; V108-V110 HydrophobicContact CG1-CG2 3.78Å; V110-I115 HydrophobicContact CG1-CD1 4.37Å; V110-F131 HydrophobicContact CG2-CD1 4.44Å; V110-F131 HydrophobicContact CG2-CE1 4.11Å; V110-M150 HydrophobicContact CB-CE 4.5Å; V110-M150 HydrophobicContact CG1-CE 4.04Å; V110-M150 HydrophobicContact CG1-SD 4.05Å |
| 111 | P | 90.9 | Very high | 83.1 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 137.1 | 167.9 | 30.1 | -32.9 | 0 | 0 | 0 | 110.6 | ||
| 112 | L | 89.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -89 | -10.6 | -171.9 | -58.5 | -178.3 | 0 | 0 | 0 | 114 | L23 L50 V82 P84 H87 L89 Q114 I115 M150 Y152 | L23-L112 HydrophobicContact CD2-CD1 4.12Å; L23-L112 HydrophobicContact CD2-CD2 3.67Å; L50-L112 HydrophobicContact CD1-CD1 4.12Å; V82-L112 HydrophobicContact CB-CD1 3.89Å; V82-L112 HydrophobicContact CG1-CD1 3.95Å; V82-L112 HydrophobicContact CG2-CD1 3.95Å; P84-L112 CarbonylContact O-C 3.54Å; H87-L112 HydrophobicContact CB-CD1 4Å; H87-L112 WeakPolarHBondContact O-CG 3.39Å; L89-L112 HydrophobicContact CB-CD2 4.31Å; L112-Q114 VanDerWaalsContact C-N 3.25Å; L112-Q114 PolarHBondContact O-N 2.87Å; L112-I115 HydrophobicContact CD2-CG1 4.43Å; L112-I115 PolarHBondContact O-N 2.53Å; L112-M150 HydrophobicContact CD2-CE 3.73Å; L112-Y152 PolarHBondContact O-OH 2.78Å; L112-Y152 VanDerWaalsContact O-OH 3.08Å |
| 113 | N | 84.8 | Confident | 80.4 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -65.5 | -18.5 | -175.8 | 65.3 | -15.9 | 0 | 0 | 0 | 115.5 | P84 | P84-N113 VanDerWaalsContact O-CA 3.26Å; P84-N113 WeakPolarHBondContact O-CA 3.26Å; P84-N113 WeakPolarHBondContact O-CB 3.23Å; P84-N113 PolarHBondContact O-N 2.9Å; P84-N113 VanDerWaalsContact O-N 3.11Å |
| 114 | Q | 79.2 | Confident | 78.6 | Confident | 163 Ų | 163 | 67.5 Ų | 67.5 | 76% | 0.762 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -111.6 | 12.4 | -176.6 | -70.3 | 176 | -1 | 0 | 0 | 113.5 | L112 | L112-Q114 VanDerWaalsContact C-N 3.25Å; L112-Q114 PolarHBondContact O-N 2.87Å |
| 115 | I | 85.5 | Confident | 76.6 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -79 | 131.2 | 178.3 | -56.5 | -55.7 | 0 | 0 | 0 | 110.5 | L23 V110 L112 M150 Y152 | L23-I115 HydrophobicContact CD1-CB 4.4Å; L23-I115 HydrophobicContact CD1-CG1 4.39Å; L23-I115 HydrophobicContact CD1-CG2 3.74Å; V110-I115 HydrophobicContact CG1-CD1 4.37Å; L112-I115 HydrophobicContact CD2-CG1 4.43Å; L112-I115 PolarHBondContact O-N 2.53Å; I115-M150 HydrophobicContact CD1-CB 4.02Å; I115-M150 HydrophobicContact CD1-CE 4.23Å; I115-M150 HydrophobicContact CD1-SD 4.3Å; I115-M150 HydrophobicContact CG2-CB 4.05Å; I115-Y152 HydrophobicContact CB-CD2 4.08Å; I115-Y152 HydrophobicContact CB-CE2 3.76Å; I115-Y152 HydrophobicContact CG2-CD2 4.15Å; I115-Y152 HydrophobicContact CG2-CE2 4.26Å; I115-Y152 WeakPolarHBondContact O-CD2 3.47Å |
| 116 | P | 81.8 | Confident | 75.1 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 25% | 0.253 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 161.7 | 179.9 | 31.3 | -39.3 | 0 | 0 | 0 | 112.7 | Y126 Y152 | P116-Y126 HydrophobicContact CB-CE2 4.35Å; P116-Y126 HydrophobicContact CG-CD1 4.2Å; P116-Y126 HydrophobicContact CG-CD2 4.05Å; P116-Y126 HydrophobicContact CG-CE1 3.92Å; P116-Y126 HydrophobicContact CG-CE2 3.76Å; P116-Y126 HydrophobicContact CG-CG 4.26Å; P116-Y152 PolarHBondContact O-N 3.35Å |
| 117 | T | 83.1 | Confident | 73.8 | Confident | 64 Ų | 64 | 80.4 Ų | 80.4 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -93.8 | 139.7 | 169.9 | -47.2 | 0 | 0 | 0 | 0 | 110.2 | R21 N119 Y152 | R21-T117 PolarHBondContact NH1-OG1 2.85Å; T117-N119 PolarHBondContact O-N 3.04Å; T117-Y152 CarbonylContact C-O 3.56Å; T117-Y152 WeakPolarHBondContact CA-O 2.99Å; T117-Y152 WeakPolarHBondContact CG2-O 3.14Å |
| 118 | E | 76.9 | Confident | 73.1 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | trans | -73.7 | 111.8 | -179.3 | -165.8 | 155.2 | -179.1 | 0 | 0 | 110.4 | P120 T151 Y152 | E118-P120 WeakPolarHBondContact O-CD 3.3Å; E118-T151 HydrophobicContact CB-CG2 4.46Å; E118-T151 PolarHBondContact OE2-OG1 2.95Å; E118-Y152 WeakPolarHBondContact CB-O 3.49Å; E118-Y152 PolarHBondContact N-O 3.36Å | ||
| 119 | N | 70.2 | Confident | 72.6 | Confident | 101 Ų | 101 | 88.9 Ų | 88.9 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | trans | -86.9 | 116.1 | 177 | -178.4 | -17.2 | 0 | 0 | 0 | 109.8 | T117 N121 A122 | T117-N119 PolarHBondContact O-N 3.04Å; N119-N121 PolarHBondContact O-N 2.99Å; N119-N121 VanDerWaalsContact O-N 3.15Å; N119-N121 PolarHBondContact OD1-N 2.77Å; N119-A122 HydrophobicContact CB-CB 4.1Å; N119-A122 PolarHBondContact O-N 2.88Å | ||
| 120 | P | 59.9 | Low | 72.3 | Confident | 82 Ų | 82 | 88.9 Ų | 88.9 | 53% | 0.532 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21 | -178.3 | -23.3 | 34.7 | 0 | 0 | 0 | 115.2 | M2 E118 | M2-P120 HydrophobicContact CE-CB 3.95Å; M2-P120 HydrophobicContact CE-CG 3.83Å; E118-P120 WeakPolarHBondContact O-CD 3.3Å |
| 121 | N | 56.8 | Low | 72.3 | Confident | 145 Ų | 145 | 90.7 Ų | 90.7 | 78% | 0.775 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -1.2 | -170.8 | -63.5 | -14.2 | 0 | 0 | 0 | 113.5 | N119 Q123 | N119-N121 PolarHBondContact O-N 2.99Å; N119-N121 VanDerWaalsContact O-N 3.15Å; N119-N121 PolarHBondContact OD1-N 2.77Å; N121-Q123 PolarHBondContact O-N 3.42Å |
| 122 | A | 54.6 | Low | 72.4 | Confident | 51 Ų | 51 | 93 Ų | 93 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | trans | -80.6 | 116.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | N119 R124 | N119-A122 HydrophobicContact CB-CB 4.1Å; N119-A122 PolarHBondContact O-N 2.88Å; A122-R124 PolarHBondContact O-N 2.81Å; A122-R124 VanDerWaalsContact O-N 3.11Å | ||
| 123 | Q | 42.4 | Very low | 72.6 | Confident | 199 Ų | 199 | 93.2 Ų | 93.2 | 93% | 0.93 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -66.6 | -10.8 | -178.2 | -66.3 | -174.2 | 0 | 0 | 0 | 114.9 | N121 | N121-Q123 PolarHBondContact O-N 3.42Š|
| 124 | R | 47 | Very low | 72.9 | Confident | 199 Ų | 199 | 93.1 Ų | 93.1 | 75% | 0.751 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -110.3 | 104.2 | 169.7 | -70.7 | -174.5 | 178.9 | -175.1 | 1.6 | 109.5 | A122 Y126 | A122-R124 PolarHBondContact O-N 2.81Å; A122-R124 VanDerWaalsContact O-N 3.11Å; R124-Y126 PolarHBondContact O-N 3.35Å |
| 125 | P | 49.3 | Very low | 73.4 | Confident | 104 Ų | 104 | 88.7 Ų | 88.7 | 68% | 0.675 | 46% | 0.455 | S | S | * | . | trans | -67.7 | 131 | 175.3 | 27.6 | -33.3 | 0 | 0 | 0 | 110.1 | T127 | P125-T127 PolarHBondContact O-N 2.83Š| ||
| 126 | Y | 56.6 | Low | 73.2 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 40% | 0.396 | 47% | 0.471 | S | S | . | . | trans | -45.8 | 132.9 | -175.9 | -171.1 | -97.4 | 0 | 0 | 0 | 112.9 | P116 R124 K149 | P116-Y126 HydrophobicContact CB-CE2 4.35Å; P116-Y126 HydrophobicContact CG-CD1 4.2Å; P116-Y126 HydrophobicContact CG-CD2 4.05Å; P116-Y126 HydrophobicContact CG-CE1 3.92Å; P116-Y126 HydrophobicContact CG-CE2 3.76Å; P116-Y126 HydrophobicContact CG-CG 4.26Å; R124-Y126 PolarHBondContact O-N 3.35Å; Y126-K149 WeakPolarHBondContact O-CD 3.43Å; Y126-K149 WeakPolarHBondContact O-CE 3.47Å; Y126-K149 PolarHBondContact O-NZ 3.17Å | ||
| 127 | T | 65.3 | Low | 72.9 | Confident | 74 Ų | 74 | 93.9 Ų | 93.9 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | trans | -68.1 | 160.8 | -174.8 | 39.7 | 0 | 0 | 0 | 0 | 112.5 | P125 | P125-T127 PolarHBondContact O-N 2.83Š| ||
| 128 | F | 80.6 | Confident | 71.8 | Confident | 106 Ų | 106 | 98.9 Ų | 98.9 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | trans | -77.4 | 158.7 | 166.4 | 54.3 | -101.7 | 0 | 0 | 0 | 110.2 | I28 R147 L148 | I28-F128 HydrophobicContact CD1-CB 3.5Å; I28-F128 VanDerWaalsContact CD1-CB 3.5Å; I28-F128 HydrophobicContact CD1-CD1 4.49Å; I28-F128 HydrophobicContact CD1-CG 4.27Å; F128-R147 HydrophobicContact CB-CG 4.02Å; F128-R147 VanDerWaalsContact CD2-CD 3.44Å; F128-R147 HydrophobicContact CD2-CG 3.71Å; F128-R147 HydrophobicContact CE2-CG 4.47Å; F128-R147 VanDerWaalsContact CE2-CZ 3.41Å; F128-R147 HydrophobicContact CG-CG 3.97Å; F128-L148 WeakPolarHBondContact CA-O 3.49Å | ||
| 129 | K | 84.1 | Confident | 70.9 | Confident | 126 Ų | 126 | 103.8 Ų | 103.8 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.8 | 174.5 | -179.4 | 172.7 | -179 | 176.9 | 0 | 110.1 | F131 L148 | K129-F131 HydrophobicContact CB-CD2 4.41Å; K129-F131 HydrophobicContact CB-CE2 3.79Å; K129-F131 HydrophobicContact CB-CZ 4.4Å; K129-F131 HydrophobicContact CD-CE1 4.44Å; K129-F131 HydrophobicContact CD-CE2 4.08Å; K129-F131 HydrophobicContact CD-CZ 3.93Å; K129-F131 HydrophobicContact CG-CD2 4.22Å; K129-F131 HydrophobicContact CG-CE2 3.84Å; K129-F131 HydrophobicContact CG-CZ 4.21Å; K129-F131 WeakPolarHBondContact O-CD2 3.36Å; K129-L148 PolarHBondContact N-O 3.01Å; K129-L148 PolarHBondContact O-N 2.86Å |
| 130 | D | 89 | Confident | 70.9 | Confident | 59 Ų | 59 | 100 Ų | 100 | 32% | 0.316 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127.1 | 173.6 | -66.2 | -15.7 | 0 | 0 | 0 | 109.4 | H145 R147 | D130-H145 HydrophobicContact CB-CB 4.19Å; D130-R147 WeakPolarHBondContact OD1-CB 3.35Å; D130-R147 WeakPolarHBondContact OD1-CG 3.45Å; D130-R147 IonicContact OD1-CZ 2.72Å; D130-R147 IonicContact OD1-NE 3.54Å; D130-R147 PolarHBondContact OD1-NE 2.81Å; D130-R147 IonicContact OD1-NH2 2.86Å; D130-R147 IonicContact OD2-CZ 3.67Å; D130-R147 IonicContact OD2-NE 3.53Å; D130-R147 PolarHBondContact OD2-NE 2.84Å; D130-R147 IonicContact OD2-NH2 3.03Å; D130-R147 PolarHBondContact OD2-NH2 3.46Å |
| 131 | F | 91.9 | Very high | 71.6 | Confident | 45 Ų | 45 | 105.7 Ų | 105.7 | 20% | 0.197 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.4 | 179 | -68.1 | -103.9 | 0 | 0 | 0 | 109 | V108 V110 K129 H145 L146 L148 | V108-F131 HydrophobicContact CB-CB 4.35Å; V108-F131 HydrophobicContact CG1-CB 3.61Å; V108-F131 HydrophobicContact CG1-CD1 3.62Å; V108-F131 HydrophobicContact CG1-CG 3.86Å; V108-F131 HydrophobicContact CG2-CB 3.8Å; V110-F131 HydrophobicContact CG2-CD1 4.44Å; V110-F131 HydrophobicContact CG2-CE1 4.11Å; K129-F131 HydrophobicContact CB-CD2 4.41Å; K129-F131 HydrophobicContact CB-CE2 3.79Å; K129-F131 HydrophobicContact CB-CZ 4.4Å; K129-F131 HydrophobicContact CD-CE1 4.44Å; K129-F131 HydrophobicContact CD-CE2 4.08Å; K129-F131 HydrophobicContact CD-CZ 3.93Å; K129-F131 HydrophobicContact CG-CD2 4.22Å; K129-F131 HydrophobicContact CG-CE2 3.84Å; K129-F131 HydrophobicContact CG-CZ 4.21Å; K129-F131 WeakPolarHBondContact O-CD2 3.36Å; F131-H145 CarbonylContact O-C 3.58Å; F131-H145 WeakPolarHBondContact O-CA 3.32Å; F131-L146 PolarHBondContact N-O 3.11Å; F131-L146 PolarHBondContact O-N 2.99Å; F131-L148 HydrophobicContact CD2-CB 4.07Å; F131-L148 HydrophobicContact CD2-CD1 3.87Å; F131-L148 HydrophobicContact CD2-CG 4.15Å; F131-L148 HydrophobicContact CE2-CB 3.89Å; F131-L148 HydrophobicContact CE2-CD1 4.05Å; F131-L148 HydrophobicContact CE2-CG 4.39Å; F131-L148 HydrophobicContact CG-CD1 4.41Å |
| 132 | L | 92.1 | Very high | 73 | Confident | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 136.3 | 176.6 | -177.3 | 66.9 | 0 | 0 | 0 | 110.5 | H134 | L132-H134 PolarHBondContact O-CE1 2.97Å; L132-H134 PolarHBondContact O-ND1 2.85Å |
| 133 | L | 93.8 | Very high | 74.6 | Confident | 7 Ų | 7 | 104.9 Ų | 104.9 | 4% | 0.037 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 128 | 177.2 | -74.9 | 168 | 0 | 0 | 0 | 111.6 | L33 V93 V108 G144 L146 | L33-L133 HydrophobicContact CD2-CD1 3.31Å; V93-L133 HydrophobicContact CB-CD2 4.45Å; V93-L133 HydrophobicContact CG2-CD1 4.44Å; V93-L133 HydrophobicContact CG2-CD2 3.7Å; V108-L133 HydrophobicContact CG2-CD2 3.98Å; L133-G144 WeakPolarHBondContact CB-O 3.5Å; L133-G144 PolarHBondContact N-O 3.2Å; L133-L146 HydrophobicContact CD2-CB 4.25Å |
| 134 | H | 91.8 | Very high | 76.9 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -103.9 | 149.2 | -176.5 | -65.2 | 74 | 0 | 0 | 0 | 111.8 | Q107 L132 | Q107-H134 HydrophobicContact CG-CB 4.38Å; Q107-H134 PolarHBondContact N-O 2.69Å; Q107-H134 PolarHBondContact O-N 3.41Å; L132-H134 PolarHBondContact O-CE1 2.97Å; L132-H134 PolarHBondContact O-ND1 2.85Å |
| 135 | P | 88.2 | Confident | 79.2 | Confident | 69 Ų | 69 | 89.9 Ų | 89.9 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -83 | 132.8 | 178.4 | 31.5 | -33.4 | 0 | 0 | 0 | 112 | S137 S140 V142 | P135-S137 PolarHBondContact O-N 2.8Å; P135-S140 VanDerWaalsContact CB-O 3.32Å; P135-S140 WeakPolarHBondContact CB-O 3.5Å; P135-V142 HydrophobicContact CB-CG1 4.26Å; P135-V142 HydrophobicContact CB-CG2 3.88Å; P135-V142 HydrophobicContact CG-CG2 4.32Å |
| 136 | R | 82.9 | Confident | 81.4 | Confident | 128 Ų | 128 | 85 Ų | 85 | 48% | 0.483 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -72.4 | -11 | 172.3 | 73 | -178.5 | 178.4 | -160.4 | -1.9 | 114.5 | E92 F104 Q107 S140 | E92-R136 IonicContact OE1-NH1 3.89Å; F104-R136 HydrophobicContact CD1-CG 3.86Å; F104-R136 HydrophobicContact CD2-CG 4.48Å; F104-R136 VanDerWaalsContact CD2-NH1 3.29Å; F104-R136 HydrophobicContact CE1-CB 3.83Å; F104-R136 HydrophobicContact CE1-CG 3.64Å; F104-R136 HydrophobicContact CE2-CB 4.32Å; F104-R136 HydrophobicContact CE2-CG 4.27Å; F104-R136 HydrophobicContact CG-CG 4.25Å; F104-R136 HydrophobicContact CZ-CB 3.68Å; F104-R136 HydrophobicContact CZ-CG 3.84Å; Q107-R136 VanDerWaalsContact OE1-CB 3.23Å; R136-S140 WeakPolarHBondContact CG-OG 3.36Å |
| 137 | S | 74.9 | Confident | 83.1 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 34% | 0.343 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -161.3 | 162.9 | 179.6 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | P135 K139 S140 | P135-S137 PolarHBondContact O-N 2.8Å; S137-K139 PolarHBondContact O-N 3Å; S137-K139 PolarHBondContact OG-N 2.68Å; S137-S140 WeakPolarHBondContact O-CB 3.25Å; S137-S140 PolarHBondContact O-N 2.89Å; S137-S140 PolarHBondContact OG-N 2.68Å; S137-S140 PolarHBondContact OG-OG 2.86Å |
| 138 | H | 58.7 | Low | 84.4 | Confident | 169 Ų | 169 | 80 Ų | 80 | 78% | 0.782 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.8 | 173 | 64.5 | -98.3 | 0 | 0 | 0 | 114.5 | ||
| 139 | K | 58.5 | Low | 84.9 | Confident | 169 Ų | 169 | 77.3 Ų | 77.3 | 74% | 0.735 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -18.9 | 173.2 | -59.9 | -166.6 | 175.9 | -166.6 | 0 | 112.9 | S137 R141 | S137-K139 PolarHBondContact O-N 3Å; S137-K139 PolarHBondContact OG-N 2.68Å; K139-R141 PolarHBondContact O-N 3.07Å |
| 140 | S | 70.1 | Confident | 85.2 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | trans | -77.5 | 90.6 | -175.3 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | P135 R136 S137 V142 | P135-S140 VanDerWaalsContact CB-O 3.32Å; P135-S140 WeakPolarHBondContact CB-O 3.5Å; R136-S140 WeakPolarHBondContact CG-OG 3.36Å; S137-S140 WeakPolarHBondContact O-CB 3.25Å; S137-S140 PolarHBondContact O-N 2.89Å; S137-S140 PolarHBondContact OG-N 2.68Å; S137-S140 PolarHBondContact OG-OG 2.86Å; S140-V142 PolarHBondContact O-N 2.77Å; S140-V142 VanDerWaalsContact O-N 3.13Å | ||
| 141 | R | 75.1 | Confident | 85.2 | Confident | 200 Ų | 200 | 69.1 Ų | 69.1 | 76% | 0.755 | 32% | 0.321 | S | S | * | . | trans | -69.4 | 103.7 | 168.3 | -63 | -175.8 | -173.7 | 178.3 | 4.5 | 109.1 | K36 K139 | K36-R141 WeakPolarHBondContact CE-O 3.32Å; K36-R141 PolarHBondContact NZ-O 2.59Å; K139-R141 PolarHBondContact O-N 3.07Å | ||
| 142 | V | 86.1 | Confident | 85.1 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 22% | 0.218 | 31% | 0.313 | C | S | . | . | trans | -116.5 | 157.5 | -179.9 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | F104 L105 P135 S140 | F104-V142 HydrophobicContact CD1-CG1 4.13Å; F104-V142 HydrophobicContact CE1-CG1 3.95Å; L105-V142 VanDerWaalsContact O-CB 3.27Å; L105-V142 WeakPolarHBondContact O-CB 3.24Å; L105-V142 WeakPolarHBondContact O-CG1 3.38Å; P135-V142 HydrophobicContact CB-CG1 4.26Å; P135-V142 HydrophobicContact CB-CG2 3.88Å; P135-V142 HydrophobicContact CG-CG2 4.32Å; S140-V142 PolarHBondContact O-N 2.77Å; S140-V142 VanDerWaalsContact O-N 3.13Å | ||
| 143 | K | 87.5 | Confident | 84.8 | Confident | 143 Ų | 143 | 64.6 Ų | 64.6 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | trans | -157.3 | 155.3 | 176 | -171.4 | -173.5 | 170.3 | -166.6 | 0 | 108.8 | L33 A34 | L33-K143 WeakPolarHBondContact CA-O 3.32Å; A34-K143 HydrophobicContact CB-CB 4.12Å; A34-K143 PolarHBondContact N-O 3.36Å | ||
| 144 | G | 91.6 | Very high | 84.1 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | trans | 101.7 | -174 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I31 G32 L133 | I31-G144 CarbonylContact O-C 3.59Å; I31-G144 WeakPolarHBondContact O-CA 3.32Å; G32-G144 VanDerWaalsContact O-CA 3.26Å; G32-G144 WeakPolarHBondContact O-CA 3.27Å; G32-G144 PolarHBondContact O-N 2.93Å; L133-G144 WeakPolarHBondContact CB-O 3.5Å; L133-G144 PolarHBondContact N-O 3.2Å | ||
| 145 | H | 94.5 | Very high | 83.2 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.3 | -178 | -57.7 | 82.8 | 0 | 0 | 0 | 111.2 | G30 I31 D130 F131 | G30-H145 CarbonylContact C-O 3.32Å; G30-H145 WeakPolarHBondContact CA-O 3.43Å; I31-H145 HydrophobicContact CB-CB 4.44Å; I31-H145 PolarHBondContact N-O 3.41Å; I31-H145 PolarHBondContact O-N 3.24Å; D130-H145 HydrophobicContact CB-CB 4.19Å; F131-H145 CarbonylContact O-C 3.58Å; F131-H145 WeakPolarHBondContact O-CA 3.32Å |
| 146 | L | 95.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.8 | 169.4 | -173 | 63.6 | 0 | 0 | 0 | 108.9 | V27 T46 W74 F91 V93 V108 F131 L133 L148 | V27-L146 HydrophobicContact CG1-CD1 4.13Å; T46-L146 HydrophobicContact CG2-CD1 4.48Å; T46-L146 HydrophobicContact CG2-CD2 4.14Å; W74-L146 HydrophobicContact CH2-CD1 4.36Å; W74-L146 HydrophobicContact CZ3-CD1 3.71Å; F91-L146 HydrophobicContact CB-CD2 3.55Å; F91-L146 HydrophobicContact CD1-CD2 3.94Å; F91-L146 HydrophobicContact CG-CD2 3.9Å; V93-L146 HydrophobicContact CG2-CD1 4.05Å; V93-L146 HydrophobicContact CG2-CD2 4.2Å; V108-L146 HydrophobicContact CG2-CB 4.14Å; V108-L146 HydrophobicContact CG2-CD2 4.26Å; F131-L146 PolarHBondContact N-O 3.11Å; F131-L146 PolarHBondContact O-N 2.99Å; L133-L146 HydrophobicContact CD2-CB 4.25Å; L146-L148 HydrophobicContact CD2-CD1 4.17Å; L146-L148 HydrophobicContact CD2-CD2 3.98Å; L146-L148 HydrophobicContact CD2-CG 4.24Å; L146-L148 HydrophobicContact CG-CD1 4.4Å; L146-L148 HydrophobicContact CG-CD2 3.84Å; L146-L148 HydrophobicContact CG-CG 4Å |
| 147 | R | 93.9 | Very high | 80.1 | Confident | 69 Ų | 69 | 73.5 Ų | 73.5 | 26% | 0.26 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 115.2 | 178.9 | -175.8 | 167.3 | -75.2 | 179.5 | 0.1 | 109.8 | I28 A29 I31 F128 D130 | I28-R147 HydrophobicContact CB-CB 4.32Å; I28-R147 HydrophobicContact CB-CG 3.98Å; I28-R147 WeakPolarHBondContact CB-O 3.28Å; I28-R147 HydrophobicContact CD1-CG 4.29Å; I28-R147 HydrophobicContact CG2-CG 4.08Å; I28-R147 PolarHBondContact N-O 3.04Å; A29-R147 HydrophobicContact CB-CB 4.27Å; A29-R147 PolarHBondContact N-O 2.84Å; A29-R147 PolarHBondContact O-N 3.18Å; I31-R147 HydrophobicContact CD1-CB 4.13Å; F128-R147 HydrophobicContact CB-CG 4.02Å; F128-R147 VanDerWaalsContact CD2-CD 3.44Å; F128-R147 HydrophobicContact CD2-CG 3.71Å; F128-R147 HydrophobicContact CE2-CG 4.47Å; F128-R147 VanDerWaalsContact CE2-CZ 3.41Å; F128-R147 HydrophobicContact CG-CG 3.97Å; D130-R147 WeakPolarHBondContact OD1-CB 3.35Å; D130-R147 WeakPolarHBondContact OD1-CG 3.45Å; D130-R147 IonicContact OD1-CZ 2.72Å; D130-R147 IonicContact OD1-NE 3.54Å; D130-R147 PolarHBondContact OD1-NE 2.81Å; D130-R147 IonicContact OD1-NH2 2.86Å; D130-R147 IonicContact OD2-CZ 3.67Å; D130-R147 IonicContact OD2-NE 3.53Å; D130-R147 PolarHBondContact OD2-NE 2.84Å; D130-R147 IonicContact OD2-NH2 3.03Å; D130-R147 PolarHBondContact OD2-NH2 3.46Å |
| 148 | L | 92.4 | Very high | 78.2 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.4 | -175 | -60.2 | 175.8 | 0 | 0 | 0 | 111.4 | K26 V27 F91 F128 K129 F131 L146 | K26-L148 WeakPolarHBondContact O-CA 3.17Å; V27-L148 HydrophobicContact CB-CD2 4.25Å; V27-L148 HydrophobicContact CG1-CD2 4.15Å; V27-L148 HydrophobicContact CG2-CD2 3.96Å; F91-L148 HydrophobicContact CD1-CD1 4.04Å; F91-L148 HydrophobicContact CD1-CD2 3.94Å; F91-L148 HydrophobicContact CD2-CD1 3.91Å; F91-L148 HydrophobicContact CE1-CD1 3.72Å; F91-L148 HydrophobicContact CE1-CD2 3.56Å; F91-L148 HydrophobicContact CE1-CG 4.29Å; F91-L148 HydrophobicContact CE2-CD1 3.6Å; F91-L148 HydrophobicContact CG-CD1 4.12Å; F91-L148 HydrophobicContact CZ-CD1 3.49Å; F91-L148 VanDerWaalsContact CZ-CD1 3.49Å; F91-L148 HydrophobicContact CZ-CD2 4.1Å; F91-L148 HydrophobicContact CZ-CG 4.39Å; F128-L148 WeakPolarHBondContact CA-O 3.49Å; K129-L148 PolarHBondContact N-O 3.01Å; K129-L148 PolarHBondContact O-N 2.86Å; F131-L148 HydrophobicContact CD2-CB 4.07Å; F131-L148 HydrophobicContact CD2-CD1 3.87Å; F131-L148 HydrophobicContact CD2-CG 4.15Å; F131-L148 HydrophobicContact CE2-CB 3.89Å; F131-L148 HydrophobicContact CE2-CD1 4.05Å; F131-L148 HydrophobicContact CE2-CG 4.39Å; F131-L148 HydrophobicContact CG-CD1 4.41Å; L146-L148 HydrophobicContact CD2-CD1 4.17Å; L146-L148 HydrophobicContact CD2-CD2 3.98Å; L146-L148 HydrophobicContact CD2-CG 4.24Å; L146-L148 HydrophobicContact CG-CD1 4.4Å; L146-L148 HydrophobicContact CG-CD2 3.84Å; L146-L148 HydrophobicContact CG-CG 4Å |
| 149 | K | 89.6 | Confident | 76.9 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.6 | 161.4 | 172.2 | 170.1 | 173.4 | 165.6 | 0 | 109 | K26 I28 Y126 | K26-K149 HydrophobicContact CB-CB 4.34Å; K26-K149 PolarHBondContact N-O 3.47Å; K26-K149 PolarHBondContact O-N 2.86Å; I28-K149 HydrophobicContact CD1-CB 3.97Å; Y126-K149 WeakPolarHBondContact O-CD 3.43Å; Y126-K149 WeakPolarHBondContact O-CE 3.47Å; Y126-K149 PolarHBondContact O-NZ 3.17Å |
| 150 | M | 90.9 | Very high | 75.9 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.049 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.9 | -176.9 | -65.3 | 172.5 | 75.5 | 0 | 0 | 109.4 | L23 K24 V25 F91 V110 L112 I115 | L23-M150 HydrophobicContact CD1-CB 4.44Å; L23-M150 HydrophobicContact CD1-CE 4.43Å; L23-M150 HydrophobicContact CD2-CE 3.97Å; K24-M150 WeakPolarHBondContact O-CA 3.46Å; V25-M150 HydrophobicContact CG1-CG 4.14Å; V25-M150 HydrophobicContact CG2-CE 4.16Å; V25-M150 HydrophobicContact CG2-CG 4.28Å; F91-M150 HydrophobicContact CE2-CE 4.42Å; F91-M150 HydrophobicContact CE2-SD 4.18Å; F91-M150 HydrophobicContact CZ-CE 4.32Å; F91-M150 HydrophobicContact CZ-SD 3.98Å; V110-M150 HydrophobicContact CB-CE 4.5Å; V110-M150 HydrophobicContact CG1-CE 4.04Å; V110-M150 HydrophobicContact CG1-SD 4.05Å; L112-M150 HydrophobicContact CD2-CE 3.73Å; I115-M150 HydrophobicContact CD1-CB 4.02Å; I115-M150 HydrophobicContact CD1-CE 4.23Å; I115-M150 HydrophobicContact CD1-SD 4.3Å; I115-M150 HydrophobicContact CG2-CB 4.05Å |
| 151 | T | 89.5 | Confident | 74.3 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 3% | 0.025 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 144 | 178.8 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | K24 E118 | K24-T151 PolarHBondContact N-O 3.34Å; K24-T151 PolarHBondContact O-N 2.81Å; E118-T151 HydrophobicContact CB-CG2 4.46Å; E118-T151 PolarHBondContact OE2-OG1 2.95Å |
| 152 | Y | 89.5 | Confident | 72.2 | Confident | 6 Ų | 6 | 81 Ų | 81 | 2% | 0.024 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 135.3 | 163.2 | -75.7 | -60.8 | 0 | 0 | 0 | 110.4 | R21 I22 L23 V82 P84 L112 I115 P116 T117 E118 | R21-Y152 HydrophobicContact CB-CD1 3.51Å; R21-Y152 HydrophobicContact CB-CE1 3.62Å; R21-Y152 HydrophobicContact CB-CG 4.34Å; R21-Y152 HydrophobicContact CG-CD1 4.36Å; I22-Y152 WeakPolarHBondContact O-CA 3.04Å; L23-Y152 HydrophobicContact CB-CD1 4.17Å; L23-Y152 HydrophobicContact CB-CE1 3.91Å; L23-Y152 HydrophobicContact CD1-CD1 4.28Å; L23-Y152 HydrophobicContact CD1-CE1 4.08Å; V82-Y152 HydrophobicContact CG2-CE1 3.72Å; P84-Y152 WeakPolarHBondContact CA-OH 3.29Å; P84-Y152 HydrophobicContact CB-CE2 4.41Å; P84-Y152 VanDerWaalsContact CB-OH 3.27Å; P84-Y152 WeakPolarHBondContact CB-OH 3.39Å; P84-Y152 HydrophobicContact CG-CE1 4.26Å; P84-Y152 HydrophobicContact CG-CE2 4.39Å; P84-Y152 WeakPolarHBondContact CG-OH 3.2Å; L112-Y152 PolarHBondContact O-OH 2.78Å; L112-Y152 VanDerWaalsContact O-OH 3.08Å; I115-Y152 HydrophobicContact CB-CD2 4.08Å; I115-Y152 HydrophobicContact CB-CE2 3.76Å; I115-Y152 HydrophobicContact CG2-CD2 4.15Å; I115-Y152 HydrophobicContact CG2-CE2 4.26Å; I115-Y152 WeakPolarHBondContact O-CD2 3.47Å; P116-Y152 PolarHBondContact O-N 3.35Å; T117-Y152 CarbonylContact C-O 3.56Å; T117-Y152 WeakPolarHBondContact CA-O 2.99Å; T117-Y152 WeakPolarHBondContact CG2-O 3.14Å; E118-Y152 WeakPolarHBondContact CB-O 3.49Å; E118-Y152 PolarHBondContact N-O 3.36Å |
| 153 | L | 86.3 | Confident | 69.7 | Low | 39 Ų | 39 | 85.4 Ų | 85.4 | 20% | 0.204 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 145.4 | 166.8 | -57.7 | -176.2 | 0 | 0 | 0 | 109.7 | I22 K24 Y79 | I22-L153 HydrophobicContact CB-CB 4.47Å; I22-L153 HydrophobicContact CB-CD1 4.3Å; I22-L153 HydrophobicContact CG2-CD1 3.77Å; I22-L153 HydrophobicContact CG2-CG 4.25Å; I22-L153 PolarHBondContact O-N 3.41Å; K24-L153 HydrophobicContact CB-CD2 4.28Å; K24-L153 HydrophobicContact CD-CD2 4.46Å; Y79-L153 HydrophobicContact CD1-CD1 4.36Å; Y79-L153 HydrophobicContact CE1-CD1 4.39Å |
| 154 | P | 79.5 | Confident | 67.3 | Low | 51 Ų | 51 | 83.1 Ų | 83.1 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 141.6 | 172.6 | 26.7 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 155 | K | 73.1 | Confident | 64.4 | Low | 109 Ų | 109 | 89.9 Ų | 89.9 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 134 | 165 | -66.5 | -162.4 | 176 | -162.1 | 0 | 107.7 | E18 S20 | E18-K155 PolarHBondContact O-NZ 2.87Å; S20-K155 WeakPolarHBondContact O-CE 3.13Å; S20-K155 PolarHBondContact O-NZ 2.57Å |
| 156 | N | 57.9 | Low | 61.4 | Low | 162 Ų | 162 | 94.5 Ų | 94.5 | 87% | 0.866 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 145.7 | 177.7 | -82.6 | -21.5 | 0 | 0 | 0 | 110.9 | ||
| 157 | L | 46.7 | Very low | 58.4 | Low | 169 Ų | 169 | 100.5 Ų | 100.5 | 89% | 0.885 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148.5 | -169.1 | -80.7 | 62.8 | 0 | 0 | 0 | 112.8 | ||
| 158 | G | 35.6 | Very low | 55.3 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | trans | -163.5 | 17.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 159 | S | 30.4 | Very low | 52.3 | Low | 114 Ų | 114 | 113.8 Ų | 113.8 | 80% | 0.797 | 62% | 0.622 | S | S | * | * | trans | -159.6 | 133.8 | 170.4 | 10 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 160 | E | 38.2 | Very low | 49.2 | Very low | 189 Ų | 189 | 116 Ų | 116 | 88% | 0.883 | 64% | 0.644 | S | S | * | * | trans | -97.5 | 171.9 | 165.7 | -65.3 | 176.4 | 124 | 0 | 0 | 108.6 | ||||
| 161 | E | 36.9 | Very low | 46.7 | Very low | 185 Ų | 185 | 122.7 Ų | 122.7 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | 59.9 | 89.1 | 175.6 | -57.1 | -167.1 | 143.3 | 0 | 0 | 117.4 | ||||
| 162 | E | 31.8 | Very low | 43.8 | Very low | 201 Ų | 201 | 127.3 Ų | 127.3 | 94% | 0.939 | 71% | 0.713 | S | S | * | * | -143.2 | 133.9 | 112.4 | -142.5 | 170.6 | -144.3 | 0 | 0 | 108.8 | |||||
| 163 | T | 33.1 | Very low | 40.8 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -127.5 | 141.6 | -169.5 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 164 | A | 35.8 | Very low | 38.3 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 58 | 91.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 165 | D | 31.7 | Very low | 35.7 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | -170.3 | 137.4 | 129.4 | -118.3 | 8.1 | 0 | 0 | 0 | 108.6 | |||||
| 166 | Q | 31.2 | Very low | 33.7 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | -131.2 | 160.9 | 6.7 | -74.2 | 159.3 | -0.1 | 0 | 0 | 111.3 | ||||
| 167 | T | 32.3 | Very low | 32.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -84.9 | 144.3 | 172.7 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 168 | E | 28.5 | Very low | 31.4 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | -178.7 | 170.8 | 115.6 | -98.8 | 173.9 | -165.9 | 0 | 0 | 112.2 | |||||
| 169 | D | 29.6 | Very low | 31 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -61.3 | 135.7 | -159.2 | -68.6 | -48.2 | 0 | 0 | 0 | 116.9 | ||||
| 170 | S | 25.7 | Very low | 31.1 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | -160.5 | 105 | 111.8 | -167 | 0 | 0 | 0 | 0 | 111.1 | S172 | S170-S172 PolarHBondContact O-N 3.44Å; S170-S172 PolarHBondContact OG-OG 3.38Å | |||
| 171 | D | 36.6 | Very low | 30.4 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -70 | 123.8 | 154.6 | -172.9 | 2.7 | 0 | 0 | 0 | 107.6 | G173 | D171-G173 PolarHBondContact OD1-N 2.72Å; D171-G173 VanDerWaalsContact OD1-N 3.17Å | ||
| 172 | S | 30.1 | Very low | 30 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -143.1 | 59.4 | 176.1 | -77.2 | 0 | 0 | 0 | 0 | 108.5 | S170 | S170-S172 PolarHBondContact O-N 3.44Å; S170-S172 PolarHBondContact OG-OG 3.38Å | ||
| 173 | G | 25.2 | Very low | 29.6 | Very low | 43 Ų | 43 | 137 Ų | 137 | 44% | 0.443 | 76% | 0.763 | S | S | . | * | trans | -51.2 | 148.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D171 E175 | D171-G173 PolarHBondContact OD1-N 2.72Å; D171-G173 VanDerWaalsContact OD1-N 3.17Å; G173-E175 PolarHBondContact O-N 3.03Å | ||
| 174 | W | 33.7 | Very low | 29.6 | Very low | 194 Ų | 194 | 137 Ų | 137 | 74% | 0.735 | 77% | 0.766 | S | S | * | * | trans | -59.6 | 101 | -178.8 | -63.6 | 83.7 | 0 | 0 | 0 | 112.2 | ||||
| 175 | E | 25.2 | Very low | 29.2 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -89.8 | 152 | 162.4 | -69.2 | -153.5 | 124 | 0 | 0 | 111.4 | G173 | G173-E175 PolarHBondContact O-N 3.03Š| ||
| 176 | L | 32.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -76.7 | 134.5 | 174.2 | -92.5 | 65.9 | 0 | 0 | 0 | 110.1 | ||||
| 177 | L | 26.7 | Very low | 28.8 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -127.2 | 70.4 | 155.3 | -74.2 | 177.5 | 0 | 0 | 0 | 110.3 | Q179 | L177-Q179 VanDerWaalsContact C-N 3.25Å; L177-Q179 PolarHBondContact O-N 2.77Å; L177-Q179 VanDerWaalsContact O-N 3.16Å | ||
| 178 | D | 29.6 | Very low | 28.8 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -68.7 | 92 | 144 | -88.1 | -36.1 | 0 | 0 | 0 | 107.1 | ||||
| 179 | Q | 26.6 | Very low | 28.9 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -145.6 | 113.2 | 170.6 | -118.5 | 177.6 | 17.5 | 0 | 0 | 111.5 | L177 M181 | L177-Q179 VanDerWaalsContact C-N 3.25Å; L177-Q179 PolarHBondContact O-N 2.77Å; L177-Q179 VanDerWaalsContact O-N 3.16Å; Q179-M181 PolarHBondContact O-N 2.81Å | ||
| 180 | D | 32.8 | Very low | 29.5 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | -58.6 | 114.2 | 161.2 | -87.6 | -45.8 | 0 | 0 | 0 | 109.1 | ||||
| 181 | M | 23.3 | Very low | 31 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | trans | -151.7 | 144.6 | 149.8 | -100.5 | -48.2 | 162.2 | 0 | 0 | 114.3 | Q179 G183 | Q179-M181 PolarHBondContact O-N 2.81Å; M181-G183 PolarHBondContact O-N 3.09Å; M181-G183 VanDerWaalsContact O-N 3.1Å | ||
| 182 | S | 29.1 | Very low | 32.3 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | -75.9 | 86.3 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 183 | G | 22.5 | Very low | 34.4 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | trans | 73.4 | -174.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | M181 | M181-G183 PolarHBondContact O-N 3.09Å; M181-G183 VanDerWaalsContact O-N 3.1Å | ||
| 184 | P | 32.6 | Very low | 37.1 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | cis | -105.1 | 164.4 | -6.1 | 38.9 | -31.2 | 0 | 0 | 0 | 113.3 | Q186 | P184-Q186 PolarHBondContact O-N 3.48Š| ||
| 185 | R | 26.9 | Very low | 38.8 | Very low | 238 Ų | 238 | 129 Ų | 129 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -74.3 | 124 | 169.3 | -73 | 179.5 | 174.5 | 172.8 | -2.1 | 110.6 | S187 | R185-S187 PolarHBondContact O-N 3.41Š| ||
| 186 | Q | 27.1 | Very low | 41.1 | Very low | 189 Ų | 189 | 121.8 Ų | 121.8 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | trans | -87.3 | 83.4 | 156.3 | -120 | 177.6 | 0.8 | 0 | 0 | 109.1 | P184 | P184-Q186 PolarHBondContact O-N 3.48Š| ||
| 187 | S | 28.8 | Very low | 43.3 | Very low | 79 Ų | 79 | 117 Ų | 117 | 55% | 0.552 | 64% | 0.64 | S | S | * | * | trans | -68.8 | 162.9 | 168.4 | 53 | 0 | 0 | 0 | 0 | 111.2 | R185 M189 | R185-S187 PolarHBondContact O-N 3.41Å; S187-M189 PolarHBondContact O-N 2.99Å | ||
| 188 | Q | 30.9 | Very low | 45.8 | Very low | 187 Ų | 187 | 113.2 Ų | 113.2 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -45.8 | 129.6 | 158.6 | -68.6 | 172.2 | -25.8 | 0 | 0 | 109.1 | L190 | Q188-L190 PolarHBondContact O-N 3.18Š|
| 189 | M | 30.9 | Very low | 48.3 | Very low | 165 Ų | 165 | 110.2 Ų | 110.2 | 81% | 0.813 | 60% | 0.6 | S | S | * | * | trans | -77.5 | 80.8 | -160.6 | -66.6 | -136.6 | 75.7 | 0 | 0 | 113.6 | S187 | S187-M189 PolarHBondContact O-N 2.99Š| ||
| 190 | L | 42 | Very low | 50.4 | Low | 116 Ų | 116 | 107.5 Ų | 107.5 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 139.6 | 154.7 | -65 | 175.2 | 0 | 0 | 0 | 109 | Q188 | Q188-L190 PolarHBondContact O-N 3.18Š|
| 191 | P | 57.2 | Low | 52.2 | Low | 86 Ų | 86 | 107.7 Ų | 107.7 | 56% | 0.558 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 153.3 | -178.1 | 24.2 | -33.8 | 0 | 0 | 0 | 111.9 | R221 | P191-R221 PolarHBondContact O-NH1 2.88Å; P191-R221 PolarHBondContact O-NH2 2.62Å |
| 192 | P | 64.7 | Low | 53.8 | Low | 96 Ų | 96 | 101 Ų | 101 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 150.1 | 178.5 | 26.8 | -34.8 | 0 | 0 | 0 | 111.7 | M224 | P192-M224 HydrophobicContact CG-CE 4.3Š|
| 193 | L | 74.1 | Confident | 54.2 | Low | 36 Ų | 36 | 103.7 Ų | 103.7 | 19% | 0.188 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -67.8 | 151.8 | 173.8 | -63.3 | 175.5 | 0 | 0 | 0 | 110.6 | W197 E199 F209 R221 P222 | L193-W197 HydrophobicContact CB-CB 4.12Å; L193-W197 HydrophobicContact CD1-CB 4.43Å; L193-E199 HydrophobicContact CD1-CB 4.17Å; L193-F209 HydrophobicContact CD1-CD1 4.08Å; L193-F209 HydrophobicContact CD1-CE1 4.3Å; L193-F209 HydrophobicContact CD2-CD1 3.93Å; L193-F209 HydrophobicContact CD2-CE1 3.89Å; L193-R221 HydrophobicContact CD2-CG 3.73Å; L193-P222 HydrophobicContact CD2-CG 4.08Å |
| 194 | P | 81.3 | Confident | 54.9 | Low | 7 Ų | 7 | 107.2 Ų | 107.2 | 5% | 0.045 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -63.9 | 154.8 | 173.6 | -17.8 | 31.7 | 0 | 0 | 0 | 111.6 | G196 W197 P222 M224 | P194-G196 PolarHBondContact O-N 3.41Å; P194-W197 WeakPolarHBondContact O-CB 3.31Å; P194-W197 PolarHBondContact O-N 3.3Å; P194-P222 HydrophobicContact CG-CB 4.34Å; P194-M224 HydrophobicContact CB-SD 4.39Å |
| 195 | P | 69.7 | Low | 55.2 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 135.9 | 179.5 | -27.5 | 35.6 | 0 | 0 | 0 | 113.1 | ||
| 196 | G | 73.5 | Confident | 56.3 | Low | 31 Ų | 31 | 97.7 Ų | 97.7 | 32% | 0.32 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -11.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P194 N211 H212 | P194-G196 PolarHBondContact O-N 3.41Å; G196-N211 WeakPolarHBondContact O-CA 3.45Å; G196-H212 PolarHBondContact O-N 3.24Å |
| 197 | W | 78.7 | Confident | 58.2 | Low | 48 Ų | 48 | 92.8 Ų | 92.8 | 18% | 0.182 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135 | 178.5 | -69.8 | 91.9 | 0 | 0 | 0 | 113.6 | L193 P194 F209 V210 N211 Q218 P222 | L193-W197 HydrophobicContact CB-CB 4.12Å; L193-W197 HydrophobicContact CD1-CB 4.43Å; P194-W197 WeakPolarHBondContact O-CB 3.31Å; P194-W197 PolarHBondContact O-N 3.3Å; W197-F209 HydrophobicContact CE3-CB 3.92Å; W197-F209 HydrophobicContact CZ3-CB 4.09Å; W197-V210 CarbonylContact C-O 3.57Å; W197-V210 VanDerWaalsContact CA-O 3.3Å; W197-V210 WeakPolarHBondContact CA-O 3.38Å; W197-N211 HydrophobicContact CD2-CB 3.71Å; W197-N211 VanDerWaalsContact CE2-ND2 3.34Å; W197-N211 HydrophobicContact CE3-CB 3.69Å; W197-N211 HydrophobicContact CG-CB 4.47Å; W197-N211 HydrophobicContact CH2-CB 3.81Å; W197-N211 HydrophobicContact CZ2-CB 3.82Å; W197-N211 HydrophobicContact CZ3-CB 3.73Å; W197-N211 PolarHBondContact NE1-ND2 2.7Å; W197-Q218 VanDerWaalsContact CH2-CD 3.45Å; W197-Q218 HydrophobicContact CH2-CG 3.9Å; W197-Q218 HydrophobicContact CZ3-CG 3.78Å; W197-P222 HydrophobicContact CB-CG 4.12Å; W197-P222 HydrophobicContact CD2-CB 4.1Å; W197-P222 HydrophobicContact CD2-CG 3.57Å; W197-P222 HydrophobicContact CE3-CG 3.86Å; W197-P222 HydrophobicContact CG-CB 4.4Å; W197-P222 HydrophobicContact CG-CG 3.72Å; W197-P222 HydrophobicContact CZ2-CB 4.22Å; W197-P222 HydrophobicContact CZ3-CG 4.45Å |
| 198 | E | 80.3 | Confident | 60.3 | Low | 68 Ų | 68 | 91.6 Ų | 91.6 | 32% | 0.318 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.4 | 175.2 | -170.3 | -171.7 | 170.5 | 0 | 0 | 110.7 | R200 F209 V210 H212 | E198-R200 VanDerWaalsContact CD-NH2 3.28Å; E198-R200 IonicContact OE1-CZ 3.07Å; E198-R200 IonicContact OE1-NE 3.54Å; E198-R200 PolarHBondContact OE1-NE 2.91Å; E198-R200 IonicContact OE1-NH2 3.97Å; E198-R200 PolarHBondContact OE1-NH2 3.22Å; E198-R200 IonicContact OE2-CZ 3.01Å; E198-R200 IonicContact OE2-NE 3.3Å; E198-R200 PolarHBondContact OE2-NE 2.7Å; E198-R200 IonicContact OE2-NH2 2.75Å; E198-R200 PolarHBondContact OE2-NH2 2.84Å; E198-F209 CarbonylContact O-C 3.4Å; E198-F209 WeakPolarHBondContact O-CA 3.14Å; E198-V210 PolarHBondContact N-O 2.85Å; E198-V210 PolarHBondContact O-N 3.15Å; E198-H212 IonicContact OE2-CD2 3.27Å; E198-H212 IonicContact OE2-CE1 2.73Å; E198-H212 PolarHBondContact OE2-CE1 2.87Å; E198-H212 IonicContact OE2-NE2 2.68Å; E198-H212 PolarHBondContact OE2-NE2 3.37Å |
| 199 | E | 81.9 | Confident | 63 | Low | 92 Ų | 92 | 83.1 Ų | 83.1 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128.6 | 171.6 | -166.4 | 170.5 | 118.4 | 0 | 0 | 109.9 | L193 I207 F209 R221 | L193-E199 HydrophobicContact CD1-CB 4.17Å; E199-I207 HydrophobicContact CG-CG2 3.46Å; E199-I207 VanDerWaalsContact CG-CG2 3.46Å; E199-F209 HydrophobicContact CB-CD1 4.17Å; E199-F209 HydrophobicContact CB-CE1 3.88Å; E199-F209 HydrophobicContact CG-CD1 4.18Å; E199-F209 HydrophobicContact CG-CE1 3.52Å; E199-F209 HydrophobicContact CG-CZ 4.01Å; E199-F209 VanDerWaalsContact OE2-CE1 3.27Å; E199-F209 WeakPolarHBondContact OE2-CE1 2.95Å; E199-R221 IonicContact OE2-NE 3.5Å |
| 200 | R | 70.6 | Confident | 65.2 | Low | 102 Ų | 102 | 76.2 Ų | 76.2 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.7 | -179.4 | -73.6 | -71 | -179.6 | 83.7 | 8.9 | 110.5 | E198 I207 Y208 V210 | E198-R200 VanDerWaalsContact CD-NH2 3.28Å; E198-R200 IonicContact OE1-CZ 3.07Å; E198-R200 IonicContact OE1-NE 3.54Å; E198-R200 PolarHBondContact OE1-NE 2.91Å; E198-R200 IonicContact OE1-NH2 3.97Å; E198-R200 PolarHBondContact OE1-NH2 3.22Å; E198-R200 IonicContact OE2-CZ 3.01Å; E198-R200 IonicContact OE2-NE 3.3Å; E198-R200 PolarHBondContact OE2-NE 2.7Å; E198-R200 IonicContact OE2-NH2 2.75Å; E198-R200 PolarHBondContact OE2-NH2 2.84Å; R200-I207 CarbonylContact O-C 3.6Å; R200-I207 WeakPolarHBondContact O-CA 2.82Å; R200-Y208 HydrophobicContact CB-CD1 4.11Å; R200-Y208 HydrophobicContact CB-CD2 4.17Å; R200-Y208 HydrophobicContact CB-CE1 3.65Å; R200-Y208 HydrophobicContact CB-CE2 3.71Å; R200-Y208 HydrophobicContact CB-CG 4.35Å; R200-Y208 VanDerWaalsContact CB-CZ 3.42Å; R200-Y208 HydrophobicContact CG-CE2 4.34Å; R200-Y208 PolarHBondContact N-O 2.87Å; R200-Y208 PolarHBondContact O-N 2.88Å; R200-Y208 VanDerWaalsContact O-O 3.08Å; R200-V210 HydrophobicContact CB-CG2 4.32Å; R200-V210 HydrophobicContact CG-CG2 3.81Å |
| 201 | Q | 70.9 | Confident | 67.1 | Low | 129 Ų | 129 | 71.4 Ų | 71.4 | 60% | 0.603 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.3 | 175 | -159.8 | 172.6 | 23.6 | 0 | 0 | 109.5 | G205 R206 | Q201-G205 VanDerWaalsContact CG-C 3.49Å; Q201-G205 PolarHBondContact NE2-O 3.04Å; Q201-R206 CarbonylContact C-O 3.56Å; Q201-R206 WeakPolarHBondContact CA-O 3.45Å |
| 202 | D | 56.7 | Low | 67.6 | Low | 29 Ų | 29 | 71.5 Ų | 71.5 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | trans | -89.6 | 173.1 | 175.1 | 81.9 | -3.1 | 0 | 0 | 0 | 112.5 | L204 G205 R206 Y208 | D202-L204 PolarHBondContact O-N 3.23Å; D202-L204 WeakPolarHBondContact OD1-CA 3.3Å; D202-L204 WeakPolarHBondContact OD1-CB 3.33Å; D202-L204 PolarHBondContact OD1-N 2.89Å; D202-G205 PolarHBondContact O-N 3.43Å; D202-G205 PolarHBondContact OD1-N 2.86Å; D202-G205 VanDerWaalsContact OD1-N 3.15Å; D202-R206 PolarHBondContact N-O 2.8Å; D202-R206 WeakPolarHBondContact OD1-CB 3.38Å; D202-R206 PolarHBondContact OD1-N 2.87Å; D202-R206 IonicContact OD1-NE 2.7Å; D202-R206 IonicContact OD2-CZ 2.62Å; D202-R206 IonicContact OD2-NE 3.24Å; D202-R206 PolarHBondContact OD2-NE 3.2Å; D202-R206 IonicContact OD2-NH2 3.41Å; D202-R206 PolarHBondContact OD2-NH2 3.49Å; D202-Y208 HydrophobicContact CB-CD1 4.3Å; D202-Y208 HydrophobicContact CB-CE1 4.07Å | ||
| 203 | N | 37 | Very low | 67.8 | Low | 172 Ų | 172 | 72.6 Ų | 72.6 | 92% | 0.92 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -1.5 | -178.5 | -59.3 | 3.8 | 0 | 0 | 0 | 113.8 | ||
| 204 | L | 36.7 | Very low | 67.7 | Low | 138 Ų | 138 | 74.8 Ų | 74.8 | 72% | 0.723 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 7.6 | 174.7 | -58.8 | 174.4 | 0 | 0 | 0 | 111.8 | D202 R206 | D202-L204 PolarHBondContact O-N 3.23Å; D202-L204 WeakPolarHBondContact OD1-CA 3.3Å; D202-L204 WeakPolarHBondContact OD1-CB 3.33Å; D202-L204 PolarHBondContact OD1-N 2.89Å; L204-R206 HydrophobicContact CB-CG 4.39Å |
| 205 | G | 39.9 | Very low | 67.3 | Low | 41 Ų | 41 | 84.9 Ų | 84.9 | 42% | 0.423 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 82.1 | 7.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q201 D202 | Q201-G205 VanDerWaalsContact CG-C 3.49Å; Q201-G205 PolarHBondContact NE2-O 3.04Å; D202-G205 PolarHBondContact O-N 3.43Å; D202-G205 PolarHBondContact OD1-N 2.86Å; D202-G205 VanDerWaalsContact OD1-N 3.15Å |
| 206 | R | 49.1 | Very low | 67 | Low | 129 Ų | 129 | 82.9 Ų | 82.9 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | trans | -88.1 | 140.3 | -176.3 | -54 | 179.3 | -61.5 | 171.7 | 5.2 | 111.2 | Q201 D202 L204 W219 | Q201-R206 CarbonylContact C-O 3.56Å; Q201-R206 WeakPolarHBondContact CA-O 3.45Å; D202-R206 PolarHBondContact N-O 2.8Å; D202-R206 WeakPolarHBondContact OD1-CB 3.38Å; D202-R206 PolarHBondContact OD1-N 2.87Å; D202-R206 IonicContact OD1-NE 2.7Å; D202-R206 IonicContact OD2-CZ 2.62Å; D202-R206 IonicContact OD2-NE 3.24Å; D202-R206 PolarHBondContact OD2-NE 3.2Å; D202-R206 IonicContact OD2-NH2 3.41Å; D202-R206 PolarHBondContact OD2-NH2 3.49Å; L204-R206 HydrophobicContact CB-CG 4.39Å; R206-W219 HydrophobicContact CB-CZ3 4.22Å | ||
| 207 | I | 67.2 | Low | 67.3 | Low | 85 Ų | 85 | 85.9 Ų | 85.9 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 137.6 | -178.6 | -60.5 | 173.4 | 0 | 0 | 0 | 110.4 | E199 R200 F209 | E199-I207 HydrophobicContact CG-CG2 3.46Å; E199-I207 VanDerWaalsContact CG-CG2 3.46Å; R200-I207 CarbonylContact O-C 3.6Å; R200-I207 WeakPolarHBondContact O-CA 2.82Å; I207-F209 HydrophobicContact CG2-CE1 4.42Å; I207-F209 HydrophobicContact CG2-CE2 3.98Å; I207-F209 HydrophobicContact CG2-CZ 3.73Å |
| 208 | Y | 73.6 | Confident | 67 | Low | 55 Ų | 55 | 86.6 Ų | 86.6 | 22% | 0.216 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 165.1 | 170.5 | 69.2 | -82.9 | 0 | 0 | 0 | 110.7 | R200 D202 V210 W219 | R200-Y208 HydrophobicContact CB-CD1 4.11Å; R200-Y208 HydrophobicContact CB-CD2 4.17Å; R200-Y208 HydrophobicContact CB-CE1 3.65Å; R200-Y208 HydrophobicContact CB-CE2 3.71Å; R200-Y208 HydrophobicContact CB-CG 4.35Å; R200-Y208 VanDerWaalsContact CB-CZ 3.42Å; R200-Y208 HydrophobicContact CG-CE2 4.34Å; R200-Y208 PolarHBondContact N-O 2.87Å; R200-Y208 PolarHBondContact O-N 2.88Å; R200-Y208 VanDerWaalsContact O-O 3.08Å; D202-Y208 HydrophobicContact CB-CD1 4.3Å; D202-Y208 HydrophobicContact CB-CE1 4.07Å; Y208-V210 HydrophobicContact CD2-CG2 3.9Å; Y208-V210 HydrophobicContact CE2-CG2 3.52Å; Y208-W219 HydrophobicContact CD1-CZ3 4.34Å; Y208-W219 HydrophobicContact CG-CZ3 4.44Å |
| 209 | F | 86.4 | Confident | 66.6 | Low | 9 Ų | 9 | 90.2 Ų | 90.2 | 4% | 0.039 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.9 | -172.8 | -59.3 | -86.1 | 0 | 0 | 0 | 110.4 | L193 W197 E198 E199 I207 T217 Q218 H220 R221 | L193-F209 HydrophobicContact CD1-CD1 4.08Å; L193-F209 HydrophobicContact CD1-CE1 4.3Å; L193-F209 HydrophobicContact CD2-CD1 3.93Å; L193-F209 HydrophobicContact CD2-CE1 3.89Å; W197-F209 HydrophobicContact CE3-CB 3.92Å; W197-F209 HydrophobicContact CZ3-CB 4.09Å; E198-F209 CarbonylContact O-C 3.4Å; E198-F209 WeakPolarHBondContact O-CA 3.14Å; E199-F209 HydrophobicContact CB-CD1 4.17Å; E199-F209 HydrophobicContact CB-CE1 3.88Å; E199-F209 HydrophobicContact CG-CD1 4.18Å; E199-F209 HydrophobicContact CG-CE1 3.52Å; E199-F209 HydrophobicContact CG-CZ 4.01Å; E199-F209 VanDerWaalsContact OE2-CE1 3.27Å; E199-F209 WeakPolarHBondContact OE2-CE1 2.95Å; I207-F209 HydrophobicContact CG2-CE1 4.42Å; I207-F209 HydrophobicContact CG2-CE2 3.98Å; I207-F209 HydrophobicContact CG2-CZ 3.73Å; F209-T217 CarbonylContact O-C 3.4Å; F209-T217 VanDerWaalsContact O-CA 3.25Å; F209-T217 WeakPolarHBondContact O-CA 3.28Å; F209-Q218 HydrophobicContact CB-CG 4.26Å; F209-Q218 PolarHBondContact N-O 3.34Å; F209-Q218 PolarHBondContact O-N 2.96Å; F209-H220 VanDerWaalsContact CD2-C 3.49Å; F209-H220 WeakPolarHBondContact CD2-O 3.37Å; F209-R221 HydrophobicContact CD1-CG 4.36Å; F209-R221 HydrophobicContact CD2-CB 4.39Å; F209-R221 HydrophobicContact CE1-CB 4.11Å; F209-R221 HydrophobicContact CE1-CG 3.6Å; F209-R221 VanDerWaalsContact CE2-CA 3.46Å; F209-R221 HydrophobicContact CE2-CB 3.71Å; F209-R221 HydrophobicContact CE2-CG 4.16Å; F209-R221 HydrophobicContact CZ-CB 3.56Å; F209-R221 HydrophobicContact CZ-CG 3.51Å |
| 210 | V | 77.6 | Confident | 65.9 | Low | 20 Ų | 20 | 93.1 Ų | 93.1 | 12% | 0.121 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.5 | -176.7 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | W197 E198 R200 Y208 T217 | W197-V210 CarbonylContact C-O 3.57Å; W197-V210 VanDerWaalsContact CA-O 3.3Å; W197-V210 WeakPolarHBondContact CA-O 3.38Å; E198-V210 PolarHBondContact N-O 2.85Å; E198-V210 PolarHBondContact O-N 3.15Å; R200-V210 HydrophobicContact CB-CG2 4.32Å; R200-V210 HydrophobicContact CG-CG2 3.81Å; Y208-V210 HydrophobicContact CD2-CG2 3.9Å; Y208-V210 HydrophobicContact CE2-CG2 3.52Å; V210-T217 HydrophobicContact CB-CG2 4.37Å; V210-T217 HydrophobicContact CG1-CG2 4.2Å; V210-T217 HydrophobicContact CG2-CG2 3.92Å |
| 211 | N | 81.2 | Confident | 66.3 | Low | 15 Ų | 15 | 92.3 Ų | 92.3 | 8% | 0.08 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.8 | 171.6 | -171.6 | -29 | 0 | 0 | 0 | 109.6 | G196 W197 V213 T214 R215 T216 | G196-N211 WeakPolarHBondContact O-CA 3.45Å; W197-N211 HydrophobicContact CD2-CB 3.71Å; W197-N211 VanDerWaalsContact CE2-ND2 3.34Å; W197-N211 HydrophobicContact CE3-CB 3.69Å; W197-N211 HydrophobicContact CG-CB 4.47Å; W197-N211 HydrophobicContact CH2-CB 3.81Å; W197-N211 HydrophobicContact CZ2-CB 3.82Å; W197-N211 HydrophobicContact CZ3-CB 3.73Å; W197-N211 PolarHBondContact NE1-ND2 2.7Å; N211-V213 WeakPolarHBondContact OD1-CA 3.49Å; N211-V213 WeakPolarHBondContact OD1-CB 3.27Å; N211-V213 PolarHBondContact OD1-N 3.07Å; N211-T214 VanDerWaalsContact CB-OG1 3.27Å; N211-T214 WeakPolarHBondContact CB-OG1 3.36Å; N211-T214 PolarHBondContact ND2-OG1 3.32Å; N211-T214 VanDerWaalsContact ND2-OG1 3.15Å; N211-T214 PolarHBondContact OD1-N 2.73Å; N211-T214 VanDerWaalsContact OD1-N 3.12Å; N211-T214 PolarHBondContact OD1-OG1 2.73Å; N211-R215 CarbonylContact O-C 3.57Å; N211-R215 WeakPolarHBondContact O-CA 3.3Å; N211-R215 PolarHBondContact O-N 2.9Å; N211-T216 PolarHBondContact N-O 2.84Å; N211-T216 PolarHBondContact O-N 2.87Å |
| 212 | H | 67.6 | Low | 66.2 | Low | 88 Ų | 88 | 86.4 Ų | 86.4 | 41% | 0.407 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -19.5 | -179.4 | -67.8 | -75 | 0 | 0 | 0 | 113.9 | G196 E198 | G196-H212 PolarHBondContact O-N 3.24Å; E198-H212 IonicContact OE2-CD2 3.27Å; E198-H212 IonicContact OE2-CE1 2.73Å; E198-H212 PolarHBondContact OE2-CE1 2.87Å; E198-H212 IonicContact OE2-NE2 2.68Å; E198-H212 PolarHBondContact OE2-NE2 3.37Å |
| 213 | V | 70.1 | Confident | 66.9 | Low | 119 Ų | 119 | 88.7 Ų | 88.7 | 72% | 0.721 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -46.6 | 177.7 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | N211 | N211-V213 WeakPolarHBondContact OD1-CA 3.49Å; N211-V213 WeakPolarHBondContact OD1-CB 3.27Å; N211-V213 PolarHBondContact OD1-N 3.07Å |
| 214 | T | 71 | Confident | 67.6 | Low | 81 Ų | 81 | 85.2 Ų | 85.2 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -5.4 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | N211 T216 | N211-T214 VanDerWaalsContact CB-OG1 3.27Å; N211-T214 WeakPolarHBondContact CB-OG1 3.36Å; N211-T214 PolarHBondContact ND2-OG1 3.32Å; N211-T214 VanDerWaalsContact ND2-OG1 3.15Å; N211-T214 PolarHBondContact OD1-N 2.73Å; N211-T214 VanDerWaalsContact OD1-N 3.12Å; N211-T214 PolarHBondContact OD1-OG1 2.73Å; T214-T216 PolarHBondContact O-N 2.79Å; T214-T216 PolarHBondContact OG1-OG1 2.83Å |
| 215 | R | 74.1 | Confident | 68.2 | Low | 219 Ų | 219 | 86.9 Ų | 86.9 | 83% | 0.826 | 43% | 0.426 | S | S | * | . | trans | 58.9 | 20.5 | -174.6 | -60.1 | -66.1 | -173.3 | 105.3 | 2 | 115.1 | N211 | N211-R215 CarbonylContact O-C 3.57Å; N211-R215 WeakPolarHBondContact O-CA 3.3Å; N211-R215 PolarHBondContact O-N 2.9Å | ||
| 216 | T | 63.1 | Low | 68.5 | Low | 70 Ų | 70 | 91.6 Ų | 91.6 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | trans | -97.3 | 160.3 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | N211 T214 | N211-T216 PolarHBondContact N-O 2.84Å; N211-T216 PolarHBondContact O-N 2.87Å; T214-T216 PolarHBondContact O-N 2.79Å; T214-T216 PolarHBondContact OG1-OG1 2.83Å | ||
| 217 | T | 80.6 | Confident | 68.1 | Low | 95 Ų | 95 | 88.7 Ų | 88.7 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.4 | 173.3 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | F209 V210 | F209-T217 CarbonylContact O-C 3.4Å; F209-T217 VanDerWaalsContact O-CA 3.25Å; F209-T217 WeakPolarHBondContact O-CA 3.28Å; V210-T217 HydrophobicContact CB-CG2 4.37Å; V210-T217 HydrophobicContact CG1-CG2 4.2Å; V210-T217 HydrophobicContact CG2-CG2 3.92Å |
| 218 | Q | 72.3 | Confident | 66.6 | Low | 63 Ų | 63 | 91.3 Ų | 91.3 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 155.5 | 177.1 | 69.6 | -175.4 | 35.7 | 0 | 0 | 112.2 | W197 F209 H220 | W197-Q218 VanDerWaalsContact CH2-CD 3.45Å; W197-Q218 HydrophobicContact CH2-CG 3.9Å; W197-Q218 HydrophobicContact CZ3-CG 3.78Å; F209-Q218 HydrophobicContact CB-CG 4.26Å; F209-Q218 PolarHBondContact N-O 3.34Å; F209-Q218 PolarHBondContact O-N 2.96Å; Q218-H220 WeakPolarHBondContact CG-O 3.42Å; Q218-H220 PolarHBondContact NE2-O 2.87Å |
| 219 | W | 71.5 | Confident | 64.9 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -84.4 | -16.2 | -179.3 | -60.3 | 97.3 | 0 | 0 | 0 | 114.3 | R206 Y208 | R206-W219 HydrophobicContact CB-CZ3 4.22Å; Y208-W219 HydrophobicContact CD1-CZ3 4.34Å; Y208-W219 HydrophobicContact CG-CZ3 4.44Å |
| 220 | H | 67.6 | Low | 62.5 | Low | 153 Ų | 153 | 100.6 Ų | 100.6 | 71% | 0.708 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -98.7 | 141 | -177.4 | -63.7 | 102.8 | 0 | 0 | 0 | 112 | F209 Q218 P222 | F209-H220 VanDerWaalsContact CD2-C 3.49Å; F209-H220 WeakPolarHBondContact CD2-O 3.37Å; Q218-H220 WeakPolarHBondContact CG-O 3.42Å; Q218-H220 PolarHBondContact NE2-O 2.87Å; H220-P222 WeakPolarHBondContact O-CD 3.25Å |
| 221 | R | 77.4 | Confident | 60.4 | Low | 84 Ų | 84 | 104.6 Ų | 104.6 | 32% | 0.317 | 54% | 0.543 | S | S | . | . | trans | -69.7 | 115.5 | -177.3 | -164.6 | 160.4 | -167.6 | -82.8 | 5.6 | 110.7 | P191 L193 E199 F209 | P191-R221 PolarHBondContact O-NH1 2.88Å; P191-R221 PolarHBondContact O-NH2 2.62Å; L193-R221 HydrophobicContact CD2-CG 3.73Å; E199-R221 IonicContact OE2-NE 3.5Å; F209-R221 HydrophobicContact CD1-CG 4.36Å; F209-R221 HydrophobicContact CD2-CB 4.39Å; F209-R221 HydrophobicContact CE1-CB 4.11Å; F209-R221 HydrophobicContact CE1-CG 3.6Å; F209-R221 VanDerWaalsContact CE2-CA 3.46Å; F209-R221 HydrophobicContact CE2-CB 3.71Å; F209-R221 HydrophobicContact CE2-CG 4.16Å; F209-R221 HydrophobicContact CZ-CB 3.56Å; F209-R221 HydrophobicContact CZ-CG 3.51Å | ||
| 222 | P | 70.6 | Confident | 58.1 | Low | 5 Ų | 5 | 113.1 Ų | 113.1 | 3% | 0.032 | 58% | 0.582 | C | S | . | * | trans | -67.5 | 144.5 | -177.6 | 28.2 | -35.3 | 0 | 0 | 0 | 111.4 | L193 P194 W197 H220 | L193-P222 HydrophobicContact CD2-CG 4.08Å; P194-P222 HydrophobicContact CG-CB 4.34Å; W197-P222 HydrophobicContact CB-CG 4.12Å; W197-P222 HydrophobicContact CD2-CB 4.1Å; W197-P222 HydrophobicContact CD2-CG 3.57Å; W197-P222 HydrophobicContact CE3-CG 3.86Å; W197-P222 HydrophobicContact CG-CB 4.4Å; W197-P222 HydrophobicContact CG-CG 3.72Å; W197-P222 HydrophobicContact CZ2-CB 4.22Å; W197-P222 HydrophobicContact CZ3-CG 4.45Å; H220-P222 WeakPolarHBondContact O-CD 3.25Å | ||
| 223 | T | 69.5 | Low | 56.3 | Low | 77 Ų | 77 | 120.5 Ų | 120.5 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | trans | -114.5 | 147.8 | -176.7 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | Q225 Q226 | T223-Q225 PolarHBondContact O-N 2.98Å; T223-Q226 PolarHBondContact O-N 2.71Å | ||
| 224 | M | 53.2 | Low | 54.3 | Low | 99 Ų | 99 | 121 Ų | 121 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.3 | -17.7 | -177.6 | -78.1 | -75.7 | -171.8 | 0 | 0 | 115.2 | P192 P194 S227 | P192-M224 HydrophobicContact CG-CE 4.3Å; P194-M224 HydrophobicContact CB-SD 4.39Å; M224-S227 PolarHBondContact O-OG 2.94Å |
| 225 | Q | 47.9 | Very low | 52.2 | Low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -18.5 | 178.3 | -73 | 177.1 | -37.5 | 0 | 0 | 113.5 | T223 | T223-Q225 PolarHBondContact O-N 2.98Š|
| 226 | Q | 46.1 | Very low | 49.9 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -78.8 | -18.9 | 178.2 | -71.6 | -175.2 | -26.1 | 0 | 0 | 113.5 | T223 | T223-Q226 PolarHBondContact O-N 2.71Š|
| 227 | S | 41.7 | Very low | 48.1 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 48% | 0.483 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -83.7 | -6.4 | -179.4 | 48.1 | 0 | 0 | 0 | 0 | 115.3 | M224 | M224-S227 PolarHBondContact O-OG 2.94Š|
| 228 | N | 35.4 | Very low | 45.6 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -109.4 | 13.5 | 179 | -80.8 | 27.1 | 0 | 0 | 0 | 113.5 | ||
| 229 | G | 37.6 | Very low | 43.5 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -75.8 | -23 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 230 | E | 36.8 | Very low | 41.5 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 91% | 0.911 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -115.9 | 57.2 | -169.1 | -63.2 | -166.5 | 119.6 | 0 | 0 | 112.5 | ||
| 231 | S | 33 | Very low | 39.6 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -137.6 | 35.1 | 173.9 | -70.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 232 | Q | 32.1 | Very low | 37.6 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -162.7 | 101.8 | 159.1 | -116.1 | 158.8 | 82.9 | 0 | 0 | 112.7 | ||||
| 233 | R | 30.1 | Very low | 36 | Very low | 243 Ų | 243 | 137.2 Ų | 137.2 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -133.5 | 129.4 | 152.5 | -89.4 | -171.8 | 172.3 | -176 | -0.6 | 108.4 | ||||
| 234 | P | 28.4 | Very low | 33.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 84% | 0.844 | 75% | 0.75 | S | S | * | * | trans | -72.2 | 166 | 172.7 | 31.2 | -34.4 | 0 | 0 | 0 | 111.5 | ||||
| 235 | Q | 27.7 | Very low | 32.9 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -76.9 | 141.1 | -167.6 | -62.7 | 168.5 | -61.4 | 0 | 0 | 114.3 | ||||
| 236 | N | 25.4 | Very low | 31.9 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | -174.7 | 104 | 129.6 | -89 | -14.5 | 0 | 0 | 0 | 106.1 | |||||
| 237 | S | 26.1 | Very low | 30.9 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | 54.3 | 122.2 | 75.2 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 238 | N | 27.2 | Very low | 30.3 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -157.7 | 164.1 | 9.2 | -95.4 | -8.8 | 0 | 0 | 0 | 107.9 | ||||
| 239 | T | 27.7 | Very low | 29.9 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | cis | -155.3 | 134.3 | 1.2 | 1 | 0 | 0 | 0 | 0 | 109 | ||||
| 240 | D | 30.9 | Very low | 29.4 | Very low | 160 Ų | 160 | 161.2 Ų | 161.2 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -86.5 | 155.1 | 153.3 | -77.5 | -62 | 0 | 0 | 0 | 110.1 | ||||
| 241 | V | 26.5 | Very low | 28.9 | Very low | 131 Ų | 131 | 159.5 Ų | 159.5 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -140.5 | 85.1 | 159.9 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 242 | E | 35.7 | Very low | 28.5 | Very low | 174 Ų | 174 | 158.9 Ų | 158.9 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -64.7 | 151.5 | 143.3 | -128.8 | -162.8 | -134.1 | 0 | 0 | 107.9 | ||||
| 243 | P | 37 | Very low | 28.2 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | -159.9 | 169.4 | 79.4 | 42.8 | -22.9 | 0 | 0 | 0 | 118.9 | |||||
| 244 | A | 25.2 | Very low | 28.1 | Very low | 84 Ų | 84 | 154.1 Ų | 154.1 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | 72.9 | 142.8 | 137.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 245 | F | 33.3 | Very low | 28.1 | Very low | 214 Ų | 214 | 154.3 Ų | 154.3 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -71 | 121.6 | 163.9 | -79.7 | -117.5 | 0 | 0 | 0 | 111.8 | ||||
| 246 | I | 25.5 | Very low | 28.1 | Very low | 162 Ų | 162 | 154.9 Ų | 154.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -136.6 | 155.5 | 159.8 | -71.7 | -169.4 | 0 | 0 | 0 | 111.3 | ||||
| 247 | T | 24.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -72.4 | 139.6 | -172.4 | 52.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 248 | R | 30.9 | Very low | 28.2 | Very low | 246 Ų | 246 | 153.6 Ų | 153.6 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | -7.3 | 117.6 | 147.9 | -173.8 | -170.9 | -163 | -177.2 | 6.6 | 117.2 | ||||
| 249 | R | 26 | Very low | 28.3 | Very low | 249 Ų | 249 | 153 Ų | 153 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -152.1 | 165.6 | 153.7 | -106.9 | -179.3 | -173.3 | -162.8 | 1.1 | 111.8 | ||||
| 250 | Q | 27.7 | Very low | 28.8 | Very low | 184 Ų | 184 | 152.7 Ų | 152.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -104.5 | 153.7 | -179.9 | -65.8 | 162.5 | -107.9 | 0 | 0 | 111.8 | ||||
| 251 | I | 25.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 153 Ų | 153 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -176.4 | 119.8 | 153.7 | -90 | 140.5 | 0 | 0 | 0 | 103.2 | ||||
| 252 | S | 24.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 154.3 Ų | 154.3 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | 91 | 104.3 | 40.5 | 74.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 253 | E | 27 | Very low | 27.9 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | 54.1 | 108.2 | 146.4 | -61.8 | 175.3 | 151.6 | 0 | 0 | 121.1 | ||||
| 254 | H | 27.7 | Very low | 28.3 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | 178 | 134.8 | 102.1 | -85.5 | -64.2 | 0 | 0 | 0 | 107.2 | |||||
| 255 | D | 27.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 156.4 Ų | 156.4 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | cis | 81.3 | 100.5 | 42.1 | -167.8 | 29.1 | 0 | 0 | 0 | 113.9 | ||||
| 256 | E | 27.7 | Very low | 27.8 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -152.9 | 152 | 142.5 | -136.2 | -177.5 | -177.1 | 0 | 0 | 110 | ||||
| 257 | S | 25.4 | Very low | 27.9 | Very low | 105 Ų | 105 | 154.1 Ų | 154.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -121.4 | 141.6 | -156.9 | 63.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 258 | A | 27.7 | Very low | 28 | Very low | 102 Ų | 102 | 156.9 Ų | 156.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 103 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 259 | T | 29.7 | Very low | 27.8 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 164.9 | 164.9 | 64.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 260 | P | 38.2 | Very low | 27.8 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | -149.4 | -166.3 | 57.1 | 42 | -19.7 | 0 | 0 | 0 | 116.1 | |||||
| 261 | Q | 27.2 | Very low | 27.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | trans | 71.9 | 128.4 | 177.9 | -65.1 | -178.8 | -89.6 | 0 | 0 | 115.3 | ||||
| 262 | E | 24.4 | Very low | 27.9 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -143.6 | 176.7 | -0.3 | -146.8 | 147.1 | -114.4 | 0 | 0 | 112.1 | ||||
| 263 | S | 23.9 | Very low | 28.3 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -138.1 | -169 | -169.3 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 264 | P | 44.5 | Very low | 28.3 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | -114.4 | -140.6 | -90.3 | 39.5 | -24.9 | 0 | 0 | 0 | 111 | |||||
| 265 | E | 26 | Very low | 28.4 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 82 | 151.1 | -179.7 | -63.9 | -174.4 | -164.8 | 0 | 0 | 115.8 | ||||
| 266 | S | 23.1 | Very low | 28.5 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | -160.8 | -177.8 | -26.6 | -171.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 267 | W | 26.4 | Very low | 28.5 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -57.1 | 148.1 | 173.7 | -51.5 | 86.9 | 0 | 0 | 0 | 112.7 | ||||
| 268 | E | 26.5 | Very low | 28.6 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | -165.1 | 172.4 | 101.2 | -110.2 | 176.3 | -165.7 | 0 | 0 | 114.5 | |||||
| 269 | I | 28.3 | Very low | 29.1 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -98.7 | 122.5 | 179.9 | -65 | 162.1 | 0 | 0 | 0 | 108 | ||||
| 270 | L | 24.3 | Very low | 28.9 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -123.7 | 102.5 | 162.2 | -72 | 176.7 | 0 | 0 | 0 | 110 | ||||
| 271 | T | 28.4 | Very low | 28.5 | Very low | 111 Ų | 111 | 152 Ų | 152 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | -71.3 | 137.8 | 147.7 | 45.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 272 | E | 27.3 | Very low | 28.7 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | -167.6 | -179.7 | 117.1 | -106.8 | 171.6 | -172.1 | 0 | 0 | 112.1 | |||||
| 273 | D | 32.7 | Very low | 28.9 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -119 | 148.8 | -161.2 | -173.4 | 19.2 | 0 | 0 | 0 | 111.1 | ||||
| 274 | E | 27.9 | Very low | 29.1 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -161.1 | 139.5 | 173.4 | -97 | -120.1 | 99.3 | 0 | 0 | 109.6 | ||||
| 275 | S | 30.2 | Very low | 28.2 | Very low | 88 Ų | 88 | 152.7 Ų | 152.7 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | cis | -173.1 | 148.3 | -13.2 | -116.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 276 | T | 28.1 | Very low | 28 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -127.2 | 99.6 | 165.8 | 56.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 277 | L | 29.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 12.6 | 113.7 | 154.3 | -59.7 | 169.4 | 0 | 0 | 0 | 116.2 | ||||
| 278 | H | 26.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | -174.4 | 169.4 | 78.2 | -95.2 | -56.4 | 0 | 0 | 0 | 113 | |||||
| 279 | P | 38.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -114.4 | 157.6 | -158.2 | 40.5 | -33.7 | 0 | 0 | 0 | 117.1 | ||||
| 280 | R | 26.3 | Very low | 29.4 | Very low | 229 Ų | 229 | 137.2 Ų | 137.2 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -163.2 | 121.6 | 136.3 | -130.1 | 178 | 170.7 | 155.8 | -2.6 | 116.6 | ||||
| 281 | N | 29.1 | Very low | 29.5 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 57% | 0.572 | 75% | 0.754 | S | S | * | * | trans | 43.4 | 121 | 139.8 | -67.3 | 28.4 | 0 | 0 | 0 | 123.9 | ||||
| 282 | H | 30.5 | Very low | 30.6 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | trans | 71.2 | 147.8 | 132 | -55.4 | -23.2 | 0 | 0 | 0 | 118.7 | ||||
| 283 | Q | 28.9 | Very low | 31.6 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | cis | -166.6 | 151.1 | -6.1 | -115.1 | 172.1 | -3.7 | 0 | 0 | 108.6 | ||||
| 284 | L | 28.1 | Very low | 31.6 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 50.8 | 144.3 | 145.7 | -58.5 | 162 | 0 | 0 | 0 | 119.2 | ||||
| 285 | T | 25.6 | Very low | 31.8 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | cis | -160.3 | 170 | 8.1 | -10.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 286 | S | 21.8 | Very low | 31.7 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -103.8 | -166.8 | 171.5 | -30.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 287 | P | 49.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | cis | -137 | -172.4 | -21.5 | 40 | -21.9 | 0 | 0 | 0 | 114.9 | ||||
| 288 | A | 28.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | 66.3 | 160.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 289 | S | 29.1 | Very low | 31.9 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | cis | -168.6 | 172.1 | -23.6 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 290 | S | 27.7 | Very low | 31.6 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | 67 | 157.2 | 162.3 | 30.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 291 | E | 26.4 | Very low | 31.9 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | cis | -163.1 | 177.6 | -15.2 | -110.7 | 177.1 | 93.6 | 0 | 0 | 111.8 | ||||
| 292 | P | 51.8 | Low | 31.9 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | -95.9 | -157.2 | -173.5 | 43.6 | -40.5 | 0 | 0 | 0 | 113.3 | ||||
| 293 | P | 48.4 | Very low | 31.9 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | cis | -144.7 | -177.4 | 2.6 | 45.4 | -25.4 | 0 | 0 | 0 | 119.9 | ||||
| 294 | E | 32.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | trans | 61.3 | 170.6 | 156.9 | -78.4 | 180 | 142 | 0 | 0 | 119.2 | ||||
| 295 | F | 31.6 | Very low | 32 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -148.1 | 174.3 | 2.8 | -119.6 | -46.1 | 0 | 0 | 0 | 107.4 | ||||
| 296 | S | 28.4 | Very low | 32.2 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | cis | -158.5 | -164.1 | -1.6 | 65.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 297 | S | 26.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | cis | -159.2 | -164.1 | -3.9 | 29.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 298 | V | 28.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | cis | -151.4 | 166.6 | 18 | -172.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 299 | N | 31.6 | Very low | 31.6 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -37.8 | 171.7 | 173.3 | -57.6 | 20.3 | 0 | 0 | 0 | 121.1 | ||||
| 300 | D | 33.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -179.7 | -179.4 | -30.5 | -165.1 | 7.4 | 0 | 0 | 0 | 109.8 | ||||
| 301 | E | 31 | Very low | 31.6 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 83.9 | 141.3 | 170.9 | -74.3 | -143.6 | 81.9 | 0 | 0 | 119.8 | ||||
| 302 | N | 29 | Very low | 31.7 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -158.8 | 124.4 | -23.2 | -148.2 | -18.3 | 0 | 0 | 0 | 114.6 | ||||
| 303 | R | 30.5 | Very low | 30.5 | Very low | 198 Ų | 198 | 147.2 Ų | 147.2 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | 15 | 126.7 | 145.1 | -172.7 | -172.7 | 176.3 | 176.2 | 1.7 | 122.7 | ||||
| 304 | N | 30.1 | Very low | 29.5 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | -177.7 | 176.3 | 115.5 | -103.5 | -52.8 | 0 | 0 | 0 | 116.1 | |||||
| 305 | H | 30.3 | Very low | 29.3 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -118.2 | 167.4 | -165.3 | -62.5 | -86.8 | 0 | 0 | 0 | 117.1 | ||||
| 306 | R | 29 | Very low | 29.2 | Very low | 234 Ų | 234 | 152.1 Ų | 152.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | 101 | 100.5 | 132.7 | -111.7 | -178 | -176.2 | -160.9 | 1.7 | 122 | ||||
| 307 | V | 33.1 | Very low | 29.2 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | 25.5 | 122.2 | 127.2 | -171.7 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 308 | S | 26.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 152 Ų | 152 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -174.3 | 170.1 | 128.7 | -87.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 309 | R | 27.7 | Very low | 29.7 | Very low | 235 Ų | 235 | 153.6 Ų | 153.6 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -88 | 143.3 | -164.5 | -80.6 | 174.8 | 160 | 163.9 | -7.4 | 116.8 | ||||
| 310 | S | 30.2 | Very low | 29.6 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 62.4 | 127.4 | 132.9 | 71.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 311 | S | 26.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 83.5 | 110.3 | 139.1 | -57.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 312 | A | 28.7 | Very low | 29.4 | Very low | 95 Ų | 95 | 151 Ų | 151 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | 148.2 | 148.5 | 117.6 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 313 | R | 25.8 | Very low | 29.3 | Very low | 224 Ų | 224 | 153.2 Ų | 153.2 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | 66 | 134 | 169.1 | -69.4 | -174.5 | 159.7 | 151.2 | -2.8 | 117.3 | ||||
| 314 | E | 27.5 | Very low | 29.3 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | cis | 93.7 | 106.3 | 35 | -76.4 | -168 | 112.1 | 0 | 0 | 114.5 | ||||
| 315 | L | 28.7 | Very low | 29.2 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | 161 | 111.7 | 118.1 | -87.7 | 164.4 | 0 | 0 | 0 | 114.9 | |||||
| 316 | R | 30.3 | Very low | 29.1 | Very low | 234 Ų | 234 | 144.5 Ų | 144.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | 60.8 | 159.9 | 143.4 | -62.8 | -178.7 | -177.5 | -141.3 | -2.5 | 119 | ||||
| 317 | S | 27.1 | Very low | 29.1 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | -146.5 | 144.8 | 9.2 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 318 | S | 32.6 | Very low | 28.8 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 58.9 | 147.4 | 142.8 | -63 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 319 | Q | 33.2 | Very low | 28.8 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | cis | -170 | 169.7 | -11.3 | -113.1 | 164.8 | -88.3 | 0 | 0 | 105.6 | ||||
| 320 | N | 30.7 | Very low | 28.7 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | cis | -154.2 | -174.1 | 6.3 | -143.3 | 14.7 | 0 | 0 | 0 | 106.8 | ||||
| 321 | N | 30.4 | Very low | 28.7 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 58% | 0.578 | 75% | 0.745 | S | S | * | * | cis | -158.8 | 174.7 | -0.1 | -160.8 | 2.1 | 0 | 0 | 0 | 109.5 | ||||
| 322 | H | 29.7 | Very low | 28.7 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | 65.6 | 130.6 | 164 | -71.7 | -62.6 | 0 | 0 | 0 | 121 | ||||
| 323 | M | 27.2 | Very low | 28.5 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -109.1 | 162.7 | -175.1 | -68.3 | 151.2 | 56.6 | 0 | 0 | 109 | ||||
| 324 | S | 30.1 | Very low | 28.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | cis | 63.5 | 152 | 43.9 | -47.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 325 | N | 27.4 | Very low | 28.5 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | cis | -154.4 | 174.5 | 18.1 | -154.5 | 11.8 | 0 | 0 | 0 | 112.2 | ||||
| 326 | S | 29.5 | Very low | 28.5 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | trans | -94 | 162.8 | 166.1 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 327 | N | 27.3 | Very low | 28.2 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | 154.8 | 158.7 | 125.2 | -79 | -11.3 | 0 | 0 | 0 | 116.9 | |||||
| 328 | H | 28.3 | Very low | 28.1 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | 73.3 | 95 | 146.3 | -82.6 | -61.8 | 0 | 0 | 0 | 123.4 | ||||
| 329 | S | 25.8 | Very low | 27.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | 42.6 | 126.4 | 118 | 61.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 330 | S | 25.5 | Very low | 27.2 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | 170.3 | 166 | 111.5 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 331 | L | 29.9 | Very low | 27.4 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | trans | -81.1 | 147.6 | -172.8 | -70.1 | 145.1 | 0 | 0 | 0 | 114.2 | ||||
| 332 | R | 26.3 | Very low | 27.2 | Very low | 222 Ų | 222 | 143 Ų | 143 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | 169.9 | 156.3 | 149.6 | -100.7 | -177.4 | 148.5 | 164.6 | -4.4 | 110.4 | ||||
| 333 | E | 24.2 | Very low | 27 | Very low | 135 Ų | 135 | 144 Ų | 144 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | cis | -163.4 | 158 | -27.6 | -135.2 | -177.6 | 107.2 | 0 | 0 | 107.6 | ||||
| 334 | S | 25.3 | Very low | 27.2 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | 52.9 | 131.8 | 158 | -56.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 335 | S | 28.8 | Very low | 26.9 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | cis | 77 | 146.9 | 17.7 | -51.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 336 | Q | 28.2 | Very low | 27.1 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 83.4 | 146.4 | -176.2 | -48.2 | -173.4 | 7.3 | 0 | 0 | 115 | ||||
| 337 | T | 25.1 | Very low | 26.9 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | cis | -141.7 | 147.5 | 23.9 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 338 | S | 23.8 | Very low | 26.7 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 47.3 | 152.4 | 135.9 | 82 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 339 | A | 23.9 | Very low | 26.7 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | cis | -163 | 167.2 | 9.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 340 | R | 24.8 | Very low | 26.5 | Very low | 239 Ų | 239 | 146.4 Ų | 146.4 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | 80 | 150 | 148.6 | -126.5 | 177.9 | -172.7 | 173.6 | 1.1 | 121.6 | ||||
| 341 | E | 33.6 | Very low | 26.7 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -87.8 | 152.1 | 177.6 | -50.3 | 117.2 | 110.9 | 0 | 0 | 113.2 | ||||
| 342 | E | 25.6 | Very low | 26.5 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | -171.2 | 155.1 | 122 | -104.4 | 175.5 | 161.4 | 0 | 0 | 111.1 | |||||
| 343 | Q | 25.6 | Very low | 26.9 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -116.2 | 148.4 | 166.6 | -86 | -170.4 | -6.5 | 0 | 0 | 107.2 | ||||
| 344 | P | 33 | Very low | 28 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -148.6 | -164.4 | 50.9 | 41.2 | -19.9 | 0 | 0 | 0 | 116.4 | |||||
| 345 | A | 22.6 | Very low | 29.5 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | 82.9 | 103 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 346 | S | 31.1 | Very low | 31.5 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 34.5 | 105.6 | 143.3 | -54 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 347 | P | 26.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 153.9 | 159.6 | 35.7 | -32.4 | 0 | 0 | 0 | 113.3 | ||
| 348 | V | 23.8 | Very low | 35.5 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 158.1 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 349 | L | 28 | Very low | 37.6 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 140.8 | -174.9 | -65.2 | 101.8 | 0 | 0 | 0 | 115.6 | ||
| 350 | L | 22.2 | Very low | 40 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | trans | -129.6 | 154.9 | 133.5 | -78.5 | 178.4 | 0 | 0 | 0 | 109.6 | ||||
| 351 | P | 27.9 | Very low | 42.6 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -76 | 142.9 | -159.7 | -19.5 | 34.3 | 0 | 0 | 0 | 115.6 | ||
| 352 | S | 27.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 149.1 | 175.4 | 53 | 0 | 0 | 0 | 0 | 113.6 | ||
| 353 | S | 34 | Very low | 47.4 | Very low | 102 Ų | 102 | 104.5 Ų | 104.5 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 141.8 | 167.2 | 53.2 | 0 | 0 | 0 | 0 | 112 | Q355 | S353-Q355 PolarHBondContact O-N 2.7Š|
| 354 | P | 47.3 | Very low | 50 | Low | 97 Ų | 97 | 103.3 Ų | 103.3 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.7 | -179.3 | 25.9 | -33.4 | 0 | 0 | 0 | 111.2 | R384 | P354-R384 PolarHBondContact O-NH2 2.71Š|
| 355 | Q | 56.5 | Low | 51.7 | Low | 181 Ų | 181 | 98.9 Ų | 98.9 | 85% | 0.846 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 161.9 | 174.2 | -71.3 | 175.4 | -31.9 | 0 | 0 | 111.5 | S353 | S353-Q355 PolarHBondContact O-N 2.7Š|
| 356 | L | 70.2 | Confident | 53.6 | Low | 42 Ų | 42 | 102.8 Ų | 102.8 | 22% | 0.22 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -77.3 | 157 | 169.7 | -67.4 | 169.6 | 0 | 0 | 0 | 110 | W360 E362 Y372 R384 P385 | L356-W360 HydrophobicContact CB-CB 4.17Å; L356-E362 HydrophobicContact CD1-CB 4.32Å; L356-Y372 HydrophobicContact CD1-CD1 3.95Å; L356-Y372 HydrophobicContact CD1-CE1 4.35Å; L356-Y372 HydrophobicContact CD2-CD1 3.88Å; L356-Y372 HydrophobicContact CD2-CE1 4Å; L356-R384 HydrophobicContact CD2-CG 3.72Å; L356-P385 HydrophobicContact CD2-CG 4.17Å |
| 357 | P | 78 | Confident | 54.9 | Low | 27 Ų | 27 | 105.6 Ų | 105.6 | 18% | 0.175 | 58% | 0.577 | C | S | . | * | P | Polyproline II helix | trans | -64 | 157.1 | 173.6 | -15 | 29 | 0 | 0 | 0 | 111.8 | W360 P385 V387 | P357-W360 WeakPolarHBondContact O-CB 3.35Å; P357-W360 PolarHBondContact O-N 2.83Å; P357-P385 HydrophobicContact CG-CB 4.17Å; P357-P385 HydrophobicContact CG-CG 4.37Å; P357-V387 HydrophobicContact CB-CG2 4.42Å; P357-V387 HydrophobicContact CG-CG2 3.98Å |
| 358 | P | 60.5 | Low | 56.2 | Low | 94 Ų | 94 | 101.9 Ų | 101.9 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | 141.3 | 178.3 | -28.8 | 36 | 0 | 0 | 0 | 113.5 | W360 | P358-W360 VanDerWaalsContact C-N 3.29Å; P358-W360 PolarHBondContact O-N 3.15Å |
| 359 | G | 67 | Low | 58 | Low | 27 Ų | 27 | 101.3 Ų | 101.3 | 28% | 0.278 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -10.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | N374 H375 | G359-N374 WeakPolarHBondContact O-CA 3.33Å; G359-H375 PolarHBondContact O-N 2.88Å |
| 360 | W | 76 | Confident | 60.3 | Low | 60 Ų | 60 | 100.8 Ų | 100.8 | 23% | 0.227 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.7 | -179.3 | -69.6 | 94.1 | 0 | 0 | 0 | 114.3 | L356 P357 P358 V373 N374 T381 P385 | L356-W360 HydrophobicContact CB-CB 4.17Å; P357-W360 WeakPolarHBondContact O-CB 3.35Å; P357-W360 PolarHBondContact O-N 2.83Å; P358-W360 VanDerWaalsContact C-N 3.29Å; P358-W360 PolarHBondContact O-N 3.15Å; W360-V373 CarbonylContact C-O 3.58Å; W360-V373 WeakPolarHBondContact CA-O 3.33Å; W360-N374 HydrophobicContact CD2-CB 3.77Å; W360-N374 VanDerWaalsContact CE2-ND2 3.33Å; W360-N374 HydrophobicContact CE3-CB 3.72Å; W360-N374 HydrophobicContact CG-CB 4.49Å; W360-N374 HydrophobicContact CH2-CB 3.84Å; W360-N374 HydrophobicContact CZ2-CB 3.89Å; W360-N374 HydrophobicContact CZ3-CB 3.73Å; W360-N374 PolarHBondContact NE1-ND2 3.39Å; W360-T381 HydrophobicContact CH2-CG2 3.82Å; W360-T381 HydrophobicContact CZ3-CG2 3.62Å; W360-P385 HydrophobicContact CB-CG 4.32Å; W360-P385 HydrophobicContact CD2-CB 4.39Å; W360-P385 HydrophobicContact CD2-CG 3.76Å; W360-P385 HydrophobicContact CE3-CG 4.18Å; W360-P385 HydrophobicContact CG-CG 3.86Å; W360-P385 HydrophobicContact CZ2-CB 4.49Å |
| 361 | E | 78.9 | Confident | 62.6 | Low | 80 Ų | 80 | 95.6 Ų | 95.6 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.8 | 175.5 | -169.3 | -171.3 | 165 | 0 | 0 | 111.1 | K363 Y372 V373 H375 | E361-K363 HydrophobicContact CG-CG 4.47Å; E361-K363 WeakPolarHBondContact OE1-CE 2.96Å; E361-K363 IonicContact OE1-NZ 3.18Å; E361-K363 PolarHBondContact OE1-NZ 3.06Å; E361-K363 WeakPolarHBondContact OE2-CE 3.43Å; E361-K363 IonicContact OE2-NZ 3.62Å; E361-K363 PolarHBondContact OE2-NZ 2.97Å; E361-Y372 CarbonylContact O-C 3.43Å; E361-Y372 VanDerWaalsContact O-CA 3.3Å; E361-Y372 WeakPolarHBondContact O-CA 3.41Å; E361-V373 PolarHBondContact N-O 2.93Å; E361-V373 PolarHBondContact O-N 3.13Å; E361-H375 IonicContact OE2-CD2 4Å; E361-H375 IonicContact OE2-CE1 3.27Å; E361-H375 PolarHBondContact OE2-CE1 3.39Å; E361-H375 VanDerWaalsContact OE2-CE1 3.24Å; E361-H375 IonicContact OE2-NE2 3.52Å; E361-H375 PolarHBondContact OE2-NE2 2.82Å |
| 362 | E | 86.5 | Confident | 65.2 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.5 | 167.8 | -176.9 | -173 | 121.7 | 0 | 0 | 110 | L356 R364 R370 Y372 | L356-E362 HydrophobicContact CD1-CB 4.32Å; E362-R364 IonicContact OE1-CZ 3.07Å; E362-R364 IonicContact OE1-NE 2.71Å; E362-R364 IonicContact OE1-NH2 2.73Å; E362-R364 PolarHBondContact OE1-NH2 2.99Å; E362-R370 HydrophobicContact CG-CB 4.38Å; E362-R370 HydrophobicContact CG-CG 4.28Å; E362-R370 WeakPolarHBondContact OE1-CD 3.35Å; E362-R370 WeakPolarHBondContact OE1-CG 3.41Å; E362-R370 WeakPolarHBondContact OE2-CD 3.43Å; E362-R370 IonicContact OE2-NH1 3.19Å; E362-Y372 HydrophobicContact CB-CD1 3.95Å; E362-Y372 HydrophobicContact CB-CE1 3.86Å; E362-Y372 HydrophobicContact CG-CD1 4.25Å; E362-Y372 HydrophobicContact CG-CE1 3.83Å |
| 363 | K | 73.3 | Confident | 67.1 | Low | 71 Ų | 71 | 86 Ų | 86 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 169.4 | 170.1 | -64.6 | -161.6 | 178.8 | -176.8 | 0 | 111.2 | E361 R370 Y371 V373 | E361-K363 HydrophobicContact CG-CG 4.47Å; E361-K363 WeakPolarHBondContact OE1-CE 2.96Å; E361-K363 IonicContact OE1-NZ 3.18Å; E361-K363 PolarHBondContact OE1-NZ 3.06Å; E361-K363 WeakPolarHBondContact OE2-CE 3.43Å; E361-K363 IonicContact OE2-NZ 3.62Å; E361-K363 PolarHBondContact OE2-NZ 2.97Å; K363-R370 WeakPolarHBondContact O-CA 2.93Å; K363-Y371 HydrophobicContact CB-CD1 4.11Å; K363-Y371 HydrophobicContact CB-CD2 4.47Å; K363-Y371 HydrophobicContact CB-CE1 3.57Å; K363-Y371 HydrophobicContact CB-CE2 3.99Å; K363-Y371 VanDerWaalsContact CB-CZ 3.49Å; K363-Y371 PolarHBondContact N-O 3.02Å; K363-Y371 PolarHBondContact O-N 3.28Å; K363-Y371 VanDerWaalsContact O-O 3.06Å; K363-V373 HydrophobicContact CB-CG2 4.39Å; K363-V373 HydrophobicContact CD-CG2 4.02Å; K363-V373 HydrophobicContact CG-CG2 4.13Å |
| 364 | R | 79.9 | Confident | 69.1 | Low | 162 Ų | 162 | 81.9 Ų | 81.9 | 61% | 0.611 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.5 | 176.1 | -62.9 | -177.7 | -170.6 | 172.4 | 4.6 | 110.3 | E362 R369 R370 | E362-R364 IonicContact OE1-CZ 3.07Å; E362-R364 IonicContact OE1-NE 2.71Å; E362-R364 IonicContact OE1-NH2 2.73Å; E362-R364 PolarHBondContact OE1-NH2 2.99Å; R364-R369 CarbonylContact C-O 3.47Å; R364-R369 VanDerWaalsContact CA-O 3.26Å; R364-R369 WeakPolarHBondContact CA-O 3.26Å; R364-R370 HydrophobicContact CG-CG 4.06Å |
| 365 | D | 69.7 | Low | 69.7 | Low | 31 Ų | 31 | 81.8 Ų | 81.8 | 17% | 0.166 | 40% | 0.396 | C | S | . | . | trans | -77.9 | 174.7 | 177.6 | 79 | -2.8 | 0 | 0 | 0 | 111.6 | K367 G368 R369 Y371 W382 | D365-K367 PolarHBondContact O-N 2.89Å; D365-K367 VanDerWaalsContact OD1-C 3.24Å; D365-K367 VanDerWaalsContact OD1-CA 3.28Å; D365-K367 WeakPolarHBondContact OD1-CA 3.41Å; D365-K367 WeakPolarHBondContact OD1-CB 3.42Å; D365-K367 PolarHBondContact OD1-N 2.94Å; D365-G368 PolarHBondContact O-N 2.85Å; D365-G368 PolarHBondContact OD1-N 3.22Å; D365-G368 VanDerWaalsContact OD1-N 3.09Å; D365-R369 PolarHBondContact N-O 2.97Å; D365-R369 WeakPolarHBondContact OD1-CB 3.43Å; D365-R369 PolarHBondContact OD1-N 2.79Å; D365-R369 IonicContact OD1-NE 3.63Å; D365-R369 IonicContact OD2-CZ 3.64Å; D365-R369 IonicContact OD2-NE 3.5Å; D365-R369 PolarHBondContact OD2-NE 3.13Å; D365-R369 IonicContact OD2-NH2 2.78Å; D365-R369 PolarHBondContact OD2-NH2 3.23Å; D365-Y371 HydrophobicContact CB-CD1 4.42Å; D365-Y371 HydrophobicContact CB-CE1 4.31Å; D365-W382 HydrophobicContact CB-CH2 4.23Å | ||
| 366 | N | 60.6 | Low | 69.9 | Low | 175 Ų | 175 | 79.2 Ų | 79.2 | 94% | 0.936 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -1.4 | 179.8 | -56.2 | 10.7 | 0 | 0 | 0 | 113.5 | ||
| 367 | K | 60.1 | Low | 69.7 | Low | 177 Ų | 177 | 81.2 Ų | 81.2 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 10.9 | 173.8 | -58.7 | 179.4 | 179.4 | 178.6 | 0 | 111.7 | D365 R369 | D365-K367 PolarHBondContact O-N 2.89Å; D365-K367 VanDerWaalsContact OD1-C 3.24Å; D365-K367 VanDerWaalsContact OD1-CA 3.28Å; D365-K367 WeakPolarHBondContact OD1-CA 3.41Å; D365-K367 WeakPolarHBondContact OD1-CB 3.42Å; D365-K367 PolarHBondContact OD1-N 2.94Å; K367-R369 VanDerWaalsContact C-N 3.3Å; K367-R369 HydrophobicContact CB-CG 4.42Å; K367-R369 PolarHBondContact O-N 3.14Å |
| 368 | G | 51.9 | Low | 69.2 | Low | 52 Ų | 52 | 90.7 Ų | 90.7 | 54% | 0.536 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 78.1 | 2.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D365 | D365-G368 PolarHBondContact O-N 2.85Å; D365-G368 PolarHBondContact OD1-N 3.22Å; D365-G368 VanDerWaalsContact OD1-N 3.09Å |
| 369 | R | 61.8 | Low | 68.8 | Low | 129 Ų | 129 | 89.5 Ų | 89.5 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | trans | -78 | 134.3 | -176 | -55.7 | -176.9 | -59.6 | 153.9 | 9.3 | 110.5 | R364 D365 K367 W382 | R364-R369 CarbonylContact C-O 3.47Å; R364-R369 VanDerWaalsContact CA-O 3.26Å; R364-R369 WeakPolarHBondContact CA-O 3.26Å; D365-R369 PolarHBondContact N-O 2.97Å; D365-R369 WeakPolarHBondContact OD1-CB 3.43Å; D365-R369 PolarHBondContact OD1-N 2.79Å; D365-R369 IonicContact OD1-NE 3.63Å; D365-R369 IonicContact OD2-CZ 3.64Å; D365-R369 IonicContact OD2-NE 3.5Å; D365-R369 PolarHBondContact OD2-NE 3.13Å; D365-R369 IonicContact OD2-NH2 2.78Å; D365-R369 PolarHBondContact OD2-NH2 3.23Å; K367-R369 VanDerWaalsContact C-N 3.3Å; K367-R369 HydrophobicContact CB-CG 4.42Å; K367-R369 PolarHBondContact O-N 3.14Å; R369-W382 HydrophobicContact CB-CZ3 4.02Å | ||
| 370 | R | 75.9 | Confident | 69 | Low | 144 Ų | 144 | 92.6 Ų | 92.6 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135.8 | 178.6 | -68.8 | -177.5 | -77.1 | -175.4 | -3.4 | 111.5 | E362 K363 R364 | E362-R370 HydrophobicContact CG-CB 4.38Å; E362-R370 HydrophobicContact CG-CG 4.28Å; E362-R370 WeakPolarHBondContact OE1-CD 3.35Å; E362-R370 WeakPolarHBondContact OE1-CG 3.41Å; E362-R370 WeakPolarHBondContact OE2-CD 3.43Å; E362-R370 IonicContact OE2-NH1 3.19Å; K363-R370 WeakPolarHBondContact O-CA 2.93Å; R364-R370 HydrophobicContact CG-CG 4.06Å |
| 371 | Y | 71.1 | Confident | 68.4 | Low | 57 Ų | 57 | 91.8 Ų | 91.8 | 22% | 0.224 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159 | 168 | 69.6 | -78.9 | 0 | 0 | 0 | 109.2 | K363 D365 V373 T380 T381 W382 | K363-Y371 HydrophobicContact CB-CD1 4.11Å; K363-Y371 HydrophobicContact CB-CD2 4.47Å; K363-Y371 HydrophobicContact CB-CE1 3.57Å; K363-Y371 HydrophobicContact CB-CE2 3.99Å; K363-Y371 VanDerWaalsContact CB-CZ 3.49Å; K363-Y371 PolarHBondContact N-O 3.02Å; K363-Y371 PolarHBondContact O-N 3.28Å; K363-Y371 VanDerWaalsContact O-O 3.06Å; D365-Y371 HydrophobicContact CB-CD1 4.42Å; D365-Y371 HydrophobicContact CB-CE1 4.31Å; Y371-V373 HydrophobicContact CD2-CG2 3.71Å; Y371-V373 HydrophobicContact CE2-CG2 3.34Å; Y371-T380 HydrophobicContact CD2-CG2 4.44Å; Y371-T380 HydrophobicContact CE2-CG2 4.41Å; Y371-T381 CarbonylContact C-O 3.39Å; Y371-T381 WeakPolarHBondContact CA-O 3.39Å; Y371-W382 HydrophobicContact CD1-CZ3 4.33Å; Y371-W382 HydrophobicContact CG-CZ3 4.39Å |
| 372 | Y | 81.9 | Confident | 68 | Low | 14 Ų | 14 | 94.6 Ų | 94.6 | 6% | 0.055 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.7 | -177.4 | -51.1 | -86.5 | 0 | 0 | 0 | 109.1 | L356 E361 E362 T380 T381 V383 R384 | L356-Y372 HydrophobicContact CD1-CD1 3.95Å; L356-Y372 HydrophobicContact CD1-CE1 4.35Å; L356-Y372 HydrophobicContact CD2-CD1 3.88Å; L356-Y372 HydrophobicContact CD2-CE1 4Å; E361-Y372 CarbonylContact O-C 3.43Å; E361-Y372 VanDerWaalsContact O-CA 3.3Å; E361-Y372 WeakPolarHBondContact O-CA 3.41Å; E362-Y372 HydrophobicContact CB-CD1 3.95Å; E362-Y372 HydrophobicContact CB-CE1 3.86Å; E362-Y372 HydrophobicContact CG-CD1 4.25Å; E362-Y372 HydrophobicContact CG-CE1 3.83Å; Y372-T380 CarbonylContact O-C 3.45Å; Y372-T380 VanDerWaalsContact O-CA 3.29Å; Y372-T380 WeakPolarHBondContact O-CA 3.43Å; Y372-T381 HydrophobicContact CD2-CG2 4.47Å; Y372-T381 PolarHBondContact N-O 3.08Å; Y372-T381 PolarHBondContact O-N 3.13Å; Y372-V383 WeakPolarHBondContact CD2-O 3.24Å; Y372-R384 HydrophobicContact CD2-CB 4.46Å; Y372-R384 HydrophobicContact CE1-CB 4.32Å; Y372-R384 HydrophobicContact CE1-CG 3.87Å; Y372-R384 VanDerWaalsContact CE2-CA 3.4Å; Y372-R384 HydrophobicContact CE2-CB 3.75Å; Y372-R384 HydrophobicContact CE2-CG 4.21Å |
| 373 | V | 68.8 | Low | 67.2 | Low | 20 Ų | 20 | 96.7 Ų | 96.7 | 12% | 0.121 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.7 | -177.2 | -175.3 | 0 | 0 | 0 | 0 | 109 | W360 E361 K363 Y371 T380 | W360-V373 CarbonylContact C-O 3.58Å; W360-V373 WeakPolarHBondContact CA-O 3.33Å; E361-V373 PolarHBondContact N-O 2.93Å; E361-V373 PolarHBondContact O-N 3.13Å; K363-V373 HydrophobicContact CB-CG2 4.39Å; K363-V373 HydrophobicContact CD-CG2 4.02Å; K363-V373 HydrophobicContact CG-CG2 4.13Å; Y371-V373 HydrophobicContact CD2-CG2 3.71Å; Y371-V373 HydrophobicContact CE2-CG2 3.34Å; V373-T380 HydrophobicContact CG1-CG2 4.28Å; V373-T380 HydrophobicContact CG2-CG2 4.07Å |
| 374 | N | 76.1 | Confident | 67.3 | Low | 15 Ų | 15 | 98.3 Ų | 98.3 | 8% | 0.08 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 116.3 | 169.9 | -171.2 | -47.5 | 0 | 0 | 0 | 109.2 | G359 W360 N376 T377 R378 T379 | G359-N374 WeakPolarHBondContact O-CA 3.33Å; W360-N374 HydrophobicContact CD2-CB 3.77Å; W360-N374 VanDerWaalsContact CE2-ND2 3.33Å; W360-N374 HydrophobicContact CE3-CB 3.72Å; W360-N374 HydrophobicContact CG-CB 4.49Å; W360-N374 HydrophobicContact CH2-CB 3.84Å; W360-N374 HydrophobicContact CZ2-CB 3.89Å; W360-N374 HydrophobicContact CZ3-CB 3.73Å; W360-N374 PolarHBondContact NE1-ND2 3.39Å; N374-N376 WeakPolarHBondContact OD1-CA 3.41Å; N374-N376 WeakPolarHBondContact OD1-CB 3.42Å; N374-N376 PolarHBondContact OD1-N 2.85Å; N374-T377 VanDerWaalsContact CB-OG1 3.28Å; N374-T377 WeakPolarHBondContact CB-OG1 3.35Å; N374-T377 PolarHBondContact OD1-N 3.33Å; N374-T377 PolarHBondContact OD1-OG1 2.76Å; N374-R378 WeakPolarHBondContact O-CA 3Å; N374-R378 PolarHBondContact O-N 3.01Å; N374-T379 PolarHBondContact N-O 3.27Å; N374-T379 PolarHBondContact O-N 3.3Å |
| 375 | H | 59.8 | Low | 66.4 | Low | 96 Ų | 96 | 92 Ų | 92 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -27.4 | -179 | -70 | -75.8 | 0 | 0 | 0 | 113.6 | G359 E361 | G359-H375 PolarHBondContact O-N 2.88Å; E361-H375 IonicContact OE2-CD2 4Å; E361-H375 IonicContact OE2-CE1 3.27Å; E361-H375 PolarHBondContact OE2-CE1 3.39Å; E361-H375 VanDerWaalsContact OE2-CE1 3.24Å; E361-H375 IonicContact OE2-NE2 3.52Å; E361-H375 PolarHBondContact OE2-NE2 2.82Å |
| 376 | N | 59 | Low | 66.4 | Low | 126 Ų | 126 | 96.2 Ų | 96.2 | 67% | 0.674 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -38.9 | -177.9 | -59.5 | -6.5 | 0 | 0 | 0 | 111 | N374 | N374-N376 WeakPolarHBondContact OD1-CA 3.41Å; N374-N376 WeakPolarHBondContact OD1-CB 3.42Å; N374-N376 PolarHBondContact OD1-N 2.85Å |
| 377 | T | 65.9 | Low | 65.7 | Low | 84 Ų | 84 | 92.8 Ų | 92.8 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -6.9 | 179.6 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | N374 T379 | N374-T377 VanDerWaalsContact CB-OG1 3.28Å; N374-T377 WeakPolarHBondContact CB-OG1 3.35Å; N374-T377 PolarHBondContact OD1-N 3.33Å; N374-T377 PolarHBondContact OD1-OG1 2.76Å; T377-T379 PolarHBondContact O-N 2.72Å; T377-T379 PolarHBondContact OG1-OG1 3.37Å |
| 378 | R | 68.8 | Low | 64.5 | Low | 226 Ų | 226 | 93.2 Ų | 93.2 | 85% | 0.853 | 47% | 0.465 | S | S | * | . | trans | 56.1 | 22.6 | -172.1 | -57.3 | -176.3 | 178.4 | -177.5 | -0 | 114.6 | N374 | N374-R378 WeakPolarHBondContact O-CA 3Å; N374-R378 PolarHBondContact O-N 3.01Å | ||
| 379 | T | 52.7 | Low | 63.4 | Low | 69 Ų | 69 | 99.9 Ų | 99.9 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | trans | -91.4 | 155.6 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | N374 T377 | N374-T379 PolarHBondContact N-O 3.27Å; N374-T379 PolarHBondContact O-N 3.3Å; T377-T379 PolarHBondContact O-N 2.72Å; T377-T379 PolarHBondContact OG1-OG1 3.37Å | ||
| 380 | T | 71.1 | Confident | 61.9 | Low | 93 Ų | 93 | 100 Ų | 100 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.9 | 178.3 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | Y371 Y372 V373 | Y371-T380 HydrophobicContact CD2-CG2 4.44Å; Y371-T380 HydrophobicContact CE2-CG2 4.41Å; Y372-T380 CarbonylContact O-C 3.45Å; Y372-T380 VanDerWaalsContact O-CA 3.29Å; Y372-T380 WeakPolarHBondContact O-CA 3.43Å; V373-T380 HydrophobicContact CG1-CG2 4.28Å; V373-T380 HydrophobicContact CG2-CG2 4.07Å |
| 381 | T | 61.9 | Low | 59.6 | Low | 42 Ų | 42 | 97.7 Ų | 97.7 | 26% | 0.258 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.1 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | W360 Y371 Y372 V383 | W360-T381 HydrophobicContact CH2-CG2 3.82Å; W360-T381 HydrophobicContact CZ3-CG2 3.62Å; Y371-T381 CarbonylContact C-O 3.39Å; Y371-T381 WeakPolarHBondContact CA-O 3.39Å; Y372-T381 HydrophobicContact CD2-CG2 4.47Å; Y372-T381 PolarHBondContact N-O 3.08Å; Y372-T381 PolarHBondContact O-N 3.13Å; T381-V383 WeakPolarHBondContact CG2-O 3.39Å; T381-V383 PolarHBondContact OG1-N 2.76Å; T381-V383 VanDerWaalsContact OG1-N 3.16Å |
| 382 | W | 71.6 | Confident | 57.6 | Low | 139 Ų | 139 | 103 Ų | 103 | 53% | 0.527 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -87.5 | -14.2 | 172.5 | -58.9 | 97 | 0 | 0 | 0 | 112.7 | D365 R369 Y371 | D365-W382 HydrophobicContact CB-CH2 4.23Å; R369-W382 HydrophobicContact CB-CZ3 4.02Å; Y371-W382 HydrophobicContact CD1-CZ3 4.33Å; Y371-W382 HydrophobicContact CG-CZ3 4.39Å |
| 383 | V | 69 | Low | 55 | Low | 108 Ų | 108 | 106.9 Ų | 106.9 | 66% | 0.655 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -96.8 | 135.4 | -179 | -177.3 | 0 | 0 | 0 | 0 | 110 | Y372 T381 P385 | Y372-V383 WeakPolarHBondContact CD2-O 3.24Å; T381-V383 WeakPolarHBondContact CG2-O 3.39Å; T381-V383 PolarHBondContact OG1-N 2.76Å; T381-V383 VanDerWaalsContact OG1-N 3.16Å; V383-P385 WeakPolarHBondContact O-CD 3.29Å |
| 384 | R | 75 | Confident | 53.2 | Low | 106 Ų | 106 | 112.2 Ų | 112.2 | 40% | 0.4 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 119.9 | -179.7 | -166.5 | 173.1 | -167.5 | -140.8 | -6 | 110.2 | P354 L356 Y372 V386 | P354-R384 PolarHBondContact O-NH2 2.71Å; L356-R384 HydrophobicContact CD2-CG 3.72Å; Y372-R384 HydrophobicContact CD2-CB 4.46Å; Y372-R384 HydrophobicContact CE1-CB 4.32Å; Y372-R384 HydrophobicContact CE1-CG 3.87Å; Y372-R384 VanDerWaalsContact CE2-CA 3.4Å; Y372-R384 HydrophobicContact CE2-CB 3.75Å; Y372-R384 HydrophobicContact CE2-CG 4.21Å; R384-V386 WeakPolarHBondContact O-CG2 3.16Å |
| 385 | P | 62.5 | Low | 50.8 | Low | 29 Ų | 29 | 116.5 Ų | 116.5 | 19% | 0.188 | 65% | 0.648 | C | S | . | * | P | Polyproline II helix | trans | -66.1 | 138.6 | 177.5 | 28 | -35 | 0 | 0 | 0 | 110.5 | L356 P357 W360 V383 | L356-P385 HydrophobicContact CD2-CG 4.17Å; P357-P385 HydrophobicContact CG-CB 4.17Å; P357-P385 HydrophobicContact CG-CG 4.37Å; W360-P385 HydrophobicContact CB-CG 4.32Å; W360-P385 HydrophobicContact CD2-CB 4.39Å; W360-P385 HydrophobicContact CD2-CG 3.76Å; W360-P385 HydrophobicContact CE3-CG 4.18Å; W360-P385 HydrophobicContact CG-CG 3.86Å; W360-P385 HydrophobicContact CZ2-CB 4.49Å; V383-P385 WeakPolarHBondContact O-CD 3.29Å |
| 386 | V | 68 | Low | 49.2 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | -116.9 | 136.5 | -169.8 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | R384 | R384-V386 WeakPolarHBondContact O-CG2 3.16Š| ||
| 387 | V | 46.9 | Very low | 47.6 | Very low | 103 Ų | 103 | 115.1 Ų | 115.1 | 62% | 0.624 | 67% | 0.671 | S | S | * | * | trans | -83.2 | 116 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | P357 | P357-V387 HydrophobicContact CB-CG2 4.42Å; P357-V387 HydrophobicContact CG-CG2 3.98Å | ||
| 388 | Q | 35.2 | Very low | 45.7 | Very low | 185 Ų | 185 | 116 Ų | 116 | 86% | 0.864 | 69% | 0.687 | S | S | * | * | trans | -84.2 | 138.7 | 174.2 | -68.9 | -178.8 | -15.7 | 0 | 0 | 110.8 | ||||
| 389 | K | 28.3 | Very low | 43.7 | Very low | 192 Ų | 192 | 110.6 Ų | 110.6 | 84% | 0.835 | 68% | 0.684 | S | S | * | * | trans | -113.8 | 143.2 | 162.5 | -87.1 | -172.9 | 170.7 | -174.4 | 0 | 108.7 | ||||
| 390 | P | 29.9 | Very low | 42.4 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | trans | -69.8 | 157.8 | 173.4 | 31.2 | -35.2 | 0 | 0 | 0 | 111.2 | ||||
| 391 | A | 28.5 | Very low | 40.2 | Very low | 95 Ų | 95 | 112.2 Ų | 112.2 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -134.6 | 150.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 392 | D | 28.3 | Very low | 38.5 | Very low | 169 Ų | 169 | 115.2 Ų | 115.2 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | trans | -74.6 | 156.9 | -169.1 | -60 | -74.4 | 0 | 0 | 0 | 114.7 | ||||
| 393 | A | 27.2 | Very low | 36.4 | Very low | 95 Ų | 95 | 113.9 Ų | 113.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -109.2 | 138.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 394 | P | 31.8 | Very low | 34.3 | Very low | 132 Ų | 132 | 113.3 Ų | 113.3 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -82 | 156.7 | 168.2 | 34.3 | -33.7 | 0 | 0 | 0 | 111.7 | ||||
| 395 | A | 26.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -129.6 | 145.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 396 | A | 25.8 | Very low | 30.9 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -153.6 | 122 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 397 | A | 25.6 | Very low | 29 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | 62.3 | 115.3 | 82.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 398 | A | 26.1 | Very low | 28 | Very low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | cis | 118 | 98.9 | 3.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 399 | S | 25.7 | Very low | 27.6 | Very low | 114 Ų | 114 | 116.3 Ų | 116.3 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -169.2 | 124.7 | 164.5 | 50.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 400 | A | 26 | Very low | 27.5 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | 62.2 | 134.9 | 75.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 401 | A | 25.4 | Very low | 27.3 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | cis | -148 | 144.4 | 9.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 402 | A | 26 | Very low | 27.9 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | 62.9 | 110.6 | 84 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 403 | A | 26.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 114.1 Ų | 114.1 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -159.6 | 142.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 404 | A | 25.6 | Very low | 27.8 | Very low | 96 Ų | 96 | 116.6 Ų | 116.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -151.5 | 153.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 405 | P | 38.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | -136.6 | 155.4 | 102.6 | 10.5 | 13.4 | 0 | 0 | 0 | 113.3 | |||||
| 406 | Q | 28.2 | Very low | 27.4 | Very low | 182 Ų | 182 | 116 Ų | 116 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | 51 | 141.6 | 86.9 | -52.1 | -177 | 0.1 | 0 | 0 | 115.4 | |||||
| 407 | S | 27.9 | Very low | 27.8 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | cis | -177.3 | 155.7 | -12.9 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 408 | G | 25.8 | Very low | 27.7 | Very low | 72 Ų | 72 | 121.6 Ų | 121.6 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 177.8 | 142.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 409 | S | 27.1 | Very low | 28.2 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -149.2 | 138.1 | -174.1 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 410 | A | 25.8 | Very low | 28.2 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -161.8 | 148 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 411 | L | 25 | Very low | 29.1 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -132.2 | 178.7 | 164.3 | -81.2 | 169.2 | 0 | 0 | 0 | 105.8 | ||||
| 412 | P | 41.8 | Very low | 29 | Very low | 98 Ų | 98 | 126 Ų | 126 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | cis | -148.4 | -175.1 | 18.8 | 44.4 | -23.3 | 0 | 0 | 0 | 118.5 | ||||
| 413 | Q | 26.9 | Very low | 28.9 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 54 | 112.4 | 144.6 | -75.8 | 167.5 | -2.4 | 0 | 0 | 121.7 | ||||
| 414 | N | 26.1 | Very low | 29 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | 77.6 | 117.3 | 77.5 | -175.8 | 50.7 | 0 | 0 | 0 | 117.6 | |||||
| 415 | S | 24.9 | Very low | 29 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -175.9 | 164.5 | 142.3 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 416 | S | 26.1 | Very low | 29 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -131.3 | 166.7 | 177.6 | -46.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 417 | P | 34 | Very low | 28.9 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -153.6 | 177.1 | 111 | 38.8 | -20.1 | 0 | 0 | 0 | 117.7 | |||||
| 418 | Q | 23.3 | Very low | 28.8 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -86.3 | -178.2 | 169.2 | -103.1 | 176.9 | -20.5 | 0 | 0 | 111.9 | ||||
| 419 | P | 35.6 | Very low | 28.8 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | -146.4 | -161.7 | 30.3 | 43.1 | -19.8 | 0 | 0 | 0 | 118.2 | ||||
| 420 | Q | 25.3 | Very low | 28.6 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -107 | -167.2 | 175.3 | -52.2 | 178 | -37.1 | 0 | 0 | 111.1 | ||||
| 421 | P | 45.3 | Very low | 28.8 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -131.2 | -146.3 | -7 | 38 | -13.5 | 0 | 0 | 0 | 111.8 | ||||
| 422 | A | 24.2 | Very low | 29.2 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | -162.7 | 159.8 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 423 | A | 24 | Very low | 28.2 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | 60.7 | 160.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 424 | V | 26.8 | Very low | 28.4 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | cis | -144 | 177.7 | 13.1 | -136.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 425 | S | 27 | Very low | 28.4 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -142.3 | 164.2 | 170.8 | -46 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 426 | P | 38.8 | Very low | 28.5 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -134.2 | -163.4 | 75.1 | 42.1 | -27.1 | 0 | 0 | 0 | 111.3 | |||||
| 427 | T | 25.9 | Very low | 28.9 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | cis | -138 | -161.8 | 4.6 | -11 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 428 | D | 25.1 | Very low | 28.8 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | cis | -146.2 | -170.8 | 9.2 | -141.1 | -66.7 | 0 | 0 | 0 | 111.9 | ||||
| 429 | A | 25 | Very low | 29.5 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -110.3 | 143.5 | -152.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 430 | A | 23.2 | Very low | 30 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -150 | 154 | 147.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 431 | Q | 29.6 | Very low | 31.7 | Very low | 195 Ų | 195 | 120 Ų | 120 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -123.4 | 171.5 | -166.3 | -100.1 | -155.4 | -4.6 | 0 | 0 | 114.7 | ||||
| 432 | P | 33.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -109 | -178.7 | -137.1 | 42.6 | -40.2 | 0 | 0 | 0 | 116.8 | ||||
| 433 | R | 22.6 | Very low | 34 | Very low | 240 Ų | 240 | 121.8 Ų | 121.8 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -131.7 | 158.3 | 159.2 | -82 | -168.6 | 176.7 | -174.3 | -0 | 110.9 | ||||
| 434 | P | 30.9 | Very low | 35.7 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | trans | -86.7 | 164.5 | -150.3 | 33.1 | -37.4 | 0 | 0 | 0 | 116 | ||||
| 435 | S | 25.7 | Very low | 37.7 | Very low | 116 Ų | 116 | 115 Ų | 115 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -76.3 | 157 | 178.4 | 46 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 436 | A | 27.2 | Very low | 39.7 | Very low | 104 Ų | 104 | 112.9 Ų | 112.9 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -130.2 | 61.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 437 | E | 33.8 | Very low | 41.4 | Very low | 193 Ų | 193 | 110.6 Ų | 110.6 | 90% | 0.902 | 67% | 0.665 | S | S | * | * | trans | -109.3 | 90.8 | 172.4 | -70.4 | -160.9 | 130.6 | 0 | 0 | 111 | ||||
| 438 | A | 31.2 | Very low | 43.1 | Very low | 103 Ų | 103 | 110.6 Ų | 110.6 | 85% | 0.851 | 65% | 0.651 | S | S | * | * | trans | -152.3 | 42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 439 | S | 38.3 | Very low | 44.8 | Very low | 86 Ų | 86 | 108 Ų | 108 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | trans | -139.5 | 107.4 | 169 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | R471 | S439-R471 PolarHBondContact O-NH1 3.48Å; S439-R471 VanDerWaalsContact O-NH1 3.17Å | ||
| 440 | G | 47.3 | Very low | 46.6 | Very low | 72 Ų | 72 | 104.4 Ų | 104.4 | 74% | 0.742 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 155.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 441 | L | 61.2 | Low | 47.7 | Very low | 46 Ų | 46 | 106.5 Ų | 106.5 | 24% | 0.241 | 62% | 0.619 | C | S | . | * | P | Polyproline II helix | trans | -66.3 | 153.2 | 171.9 | -71.2 | 167.4 | 0 | 0 | 0 | 110.8 | W445 V447 F457 P470 | L441-W445 HydrophobicContact CB-CB 4.11Å; L441-V447 HydrophobicContact CD1-CB 3.88Å; L441-V447 HydrophobicContact CD1-CG1 3.93Å; L441-F457 HydrophobicContact CD1-CD1 4.2Å; L441-F457 HydrophobicContact CD1-CE1 4.46Å; L441-F457 HydrophobicContact CD2-CD1 4.05Å; L441-F457 HydrophobicContact CD2-CE1 4.04Å; L441-P470 HydrophobicContact CD2-CG 4.21Å |
| 442 | P | 69.3 | Low | 48.9 | Very low | 58 Ų | 58 | 103.2 Ų | 103.2 | 38% | 0.377 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 147.7 | 177.8 | -22 | 33 | 0 | 0 | 0 | 112.2 | G444 W445 | P442-G444 PolarHBondContact O-N 3.22Å; P442-W445 WeakPolarHBondContact O-CB 3.46Å; P442-W445 PolarHBondContact O-N 2.9Å |
| 443 | Q | 48.2 | Very low | 49.6 | Very low | 189 Ų | 189 | 100.6 Ų | 100.6 | 88% | 0.883 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 121.7 | -170.7 | -170.1 | 175 | 4 | 0 | 0 | 112.6 | N461 | Q443-N461 PolarHBondContact O-ND2 2.71Å; Q443-N461 VanDerWaalsContact O-ND2 3.12Å |
| 444 | G | 59.9 | Low | 51.1 | Low | 24 Ų | 24 | 95.7 Ų | 95.7 | 25% | 0.247 | 58% | 0.582 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 95.6 | -0 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P442 H460 | P442-G444 PolarHBondContact O-N 3.22Å; G444-H460 WeakPolarHBondContact O-CB 3.36Å; G444-H460 PolarHBondContact O-N 2.97Å |
| 445 | W | 67.2 | Low | 52.5 | Low | 68 Ų | 68 | 92.6 Ų | 92.6 | 26% | 0.258 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.5 | 171.2 | -69.2 | 83.4 | 0 | 0 | 0 | 112.3 | L441 P442 F457 I458 N459 T466 P470 | L441-W445 HydrophobicContact CB-CB 4.11Å; P442-W445 WeakPolarHBondContact O-CB 3.46Å; P442-W445 PolarHBondContact O-N 2.9Å; W445-F457 HydrophobicContact CE3-CB 4.04Å; W445-F457 HydrophobicContact CZ3-CB 4.17Å; W445-I458 WeakPolarHBondContact CA-O 3.45Å; W445-N459 HydrophobicContact CD2-CB 3.87Å; W445-N459 VanDerWaalsContact CE2-ND2 3.29Å; W445-N459 HydrophobicContact CE3-CB 3.81Å; W445-N459 HydrophobicContact CH2-CB 3.83Å; W445-N459 HydrophobicContact CZ2-CB 3.86Å; W445-N459 WeakPolarHBondContact CZ2-ND2 3.31Å; W445-N459 HydrophobicContact CZ3-CB 3.79Å; W445-T466 HydrophobicContact CH2-CG2 4.31Å; W445-T466 HydrophobicContact CZ3-CG2 3.84Å; W445-P470 HydrophobicContact CB-CG 4.5Å; W445-P470 HydrophobicContact CD2-CB 3.83Å; W445-P470 HydrophobicContact CD2-CG 3.72Å; W445-P470 HydrophobicContact CE3-CB 3.91Å; W445-P470 HydrophobicContact CE3-CG 3.68Å; W445-P470 HydrophobicContact CG-CB 4.5Å; W445-P470 HydrophobicContact CG-CG 4.13Å; W445-P470 HydrophobicContact CH2-CB 3.81Å; W445-P470 HydrophobicContact CH2-CG 4.47Å; W445-P470 HydrophobicContact CZ2-CB 3.74Å; W445-P470 HydrophobicContact CZ3-CB 3.91Å; W445-P470 HydrophobicContact CZ3-CG 4.07Å |
| 446 | E | 69.6 | Low | 54.3 | Low | 65 Ų | 65 | 89 Ų | 89 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.3 | 174.5 | -174.2 | -169.6 | 166.8 | 0 | 0 | 109.4 | R448 F457 I458 H460 | E446-R448 VanDerWaalsContact CD-NE 3.33Å; E446-R448 VanDerWaalsContact CD-NH2 3.34Å; E446-R448 HydrophobicContact CG-CG 4.44Å; E446-R448 IonicContact OE1-CZ 2.7Å; E446-R448 IonicContact OE1-NE 3.37Å; E446-R448 PolarHBondContact OE1-NE 2.79Å; E446-R448 IonicContact OE1-NH2 3.38Å; E446-R448 PolarHBondContact OE1-NH2 3.16Å; E446-R448 VanDerWaalsContact OE1-NH2 3.13Å; E446-R448 IonicContact OE2-CZ 3.32Å; E446-R448 IonicContact OE2-NE 3.33Å; E446-R448 PolarHBondContact OE2-NE 2.92Å; E446-R448 IonicContact OE2-NH2 2.73Å; E446-R448 PolarHBondContact OE2-NH2 3.12Å; E446-F457 CarbonylContact O-C 3.55Å; E446-F457 WeakPolarHBondContact O-CA 3.46Å; E446-I458 PolarHBondContact N-O 3.11Å; E446-I458 PolarHBondContact O-N 2.81Å; E446-H460 IonicContact OE2-CD2 2.7Å; E446-H460 IonicContact OE2-CE1 3.89Å; E446-H460 PolarHBondContact OE2-CE1 3.22Å; E446-H460 IonicContact OE2-NE2 2.84Å; E446-H460 PolarHBondContact OE2-NE2 2.79Å |
| 447 | V | 75 | Confident | 56.7 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 42% | 0.418 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.1 | 167.9 | 61 | 0 | 0 | 0 | 0 | 109.9 | L441 P455 F456 F457 | L441-V447 HydrophobicContact CD1-CB 3.88Å; L441-V447 HydrophobicContact CD1-CG1 3.93Å; V447-P455 HydrophobicContact CG2-CB 3.91Å; V447-F456 WeakPolarHBondContact CA-O 3.38Å; V447-F457 HydrophobicContact CB-CD1 3.79Å; V447-F457 HydrophobicContact CB-CE1 3.82Å; V447-F457 HydrophobicContact CG2-CD1 3.93Å; V447-F457 HydrophobicContact CG2-CE1 3.68Å; V447-F457 HydrophobicContact CG2-CZ 4.12Å |
| 448 | R | 60.5 | Low | 58 | Low | 118 Ų | 118 | 76.6 Ų | 76.6 | 45% | 0.445 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 157.6 | 170.6 | -65.6 | -166.7 | -169.5 | 156.7 | 9.7 | 110 | E446 P455 F456 I458 | E446-R448 VanDerWaalsContact CD-NE 3.33Å; E446-R448 VanDerWaalsContact CD-NH2 3.34Å; E446-R448 HydrophobicContact CG-CG 4.44Å; E446-R448 IonicContact OE1-CZ 2.7Å; E446-R448 IonicContact OE1-NE 3.37Å; E446-R448 PolarHBondContact OE1-NE 2.79Å; E446-R448 IonicContact OE1-NH2 3.38Å; E446-R448 PolarHBondContact OE1-NH2 3.16Å; E446-R448 VanDerWaalsContact OE1-NH2 3.13Å; E446-R448 IonicContact OE2-CZ 3.32Å; E446-R448 IonicContact OE2-NE 3.33Å; E446-R448 PolarHBondContact OE2-NE 2.92Å; E446-R448 IonicContact OE2-NH2 2.73Å; E446-R448 PolarHBondContact OE2-NH2 3.12Å; R448-P455 CarbonylContact O-C 3.54Å; R448-P455 WeakPolarHBondContact O-CA 3.16Å; R448-F456 HydrophobicContact CB-CD1 4.34Å; R448-F456 HydrophobicContact CB-CE1 3.75Å; R448-F456 HydrophobicContact CB-CE2 4.43Å; R448-F456 HydrophobicContact CB-CZ 3.81Å; R448-F456 PolarHBondContact N-O 2.79Å; R448-F456 VanDerWaalsContact O-CD1 3.22Å; R448-F456 WeakPolarHBondContact O-CD1 3.48Å; R448-F456 PolarHBondContact O-N 3Å; R448-F456 VanDerWaalsContact O-O 3.11Å; R448-I458 HydrophobicContact CB-CD1 4.45Å; R448-I458 HydrophobicContact CG-CD1 3.94Å |
| 449 | C | 61.8 | Low | 60 | Low | 92 Ų | 92 | 72.4 Ų | 72.4 | 62% | 0.622 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.8 | 171.8 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 450 | A | 62.4 | Low | 60.7 | Low | 14 Ų | 14 | 71.6 Ų | 71.6 | 12% | 0.116 | 41% | 0.406 | C | S | . | . | trans | -77.3 | 166.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N452 G453 R454 F456 W467 | A450-N452 WeakPolarHBondContact CB-OD1 3.46Å; A450-N452 PolarHBondContact O-N 2.87Å; A450-G453 PolarHBondContact O-N 2.78Å; A450-R454 PolarHBondContact N-O 2.9Å; A450-F456 HydrophobicContact CB-CD1 4.16Å; A450-F456 HydrophobicContact CB-CE1 4.28Å; A450-W467 HydrophobicContact CB-CH2 3.63Å; A450-W467 HydrophobicContact CB-CZ3 3.75Å | ||
| 451 | P | 46.9 | Very low | 61.3 | Low | 150 Ų | 150 | 73.8 Ų | 73.8 | 97% | 0.974 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -15.9 | -177.7 | -26.7 | 36.2 | 0 | 0 | 0 | 115.6 | G453 | P451-G453 VanDerWaalsContact C-N 3.34Š|
| 452 | N | 53.9 | Low | 61.4 | Low | 125 Ų | 125 | 75.4 Ų | 75.4 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.8 | 173.1 | 64.6 | 1.2 | 0 | 0 | 0 | 113.5 | A450 R454 | A450-N452 WeakPolarHBondContact CB-OD1 3.46Å; A450-N452 PolarHBondContact O-N 2.87Å; N452-R454 VanDerWaalsContact C-N 3.25Å; N452-R454 PolarHBondContact O-N 3.23Å; N452-R454 WeakPolarHBondContact OD1-CB 3.45Å; N452-R454 PolarHBondContact OD1-N 3.37Å; N452-R454 VanDerWaalsContact OD1-N 3.16Å |
| 453 | G | 47.9 | Very low | 61.2 | Low | 54 Ų | 54 | 80.4 Ų | 80.4 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 78.4 | -6.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A450 P451 | A450-G453 PolarHBondContact O-N 2.78Å; P451-G453 VanDerWaalsContact C-N 3.34Å |
| 454 | R | 55.8 | Low | 61.4 | Low | 137 Ų | 137 | 77.3 Ų | 77.3 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | trans | -74.3 | 129.4 | -178.5 | -172.2 | 177.2 | 177.1 | 167.6 | -0.2 | 111 | A450 N452 W467 | A450-R454 PolarHBondContact N-O 2.9Å; N452-R454 VanDerWaalsContact C-N 3.25Å; N452-R454 PolarHBondContact O-N 3.23Å; N452-R454 WeakPolarHBondContact OD1-CB 3.45Å; N452-R454 PolarHBondContact OD1-N 3.37Å; N452-R454 VanDerWaalsContact OD1-N 3.16Å; R454-W467 HydrophobicContact CB-CZ3 4.22Å; R454-W467 HydrophobicContact CG-CE3 4.04Å; R454-W467 HydrophobicContact CG-CZ3 4.18Å | ||
| 455 | P | 59.5 | Low | 61.5 | Low | 61 Ų | 61 | 80.6 Ų | 80.6 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 146.6 | 173.6 | 29 | -34.4 | 0 | 0 | 0 | 111.9 | V447 R448 | V447-P455 HydrophobicContact CG2-CB 3.91Å; R448-P455 CarbonylContact O-C 3.54Å; R448-P455 WeakPolarHBondContact O-CA 3.16Å |
| 456 | F | 63.5 | Low | 61.2 | Low | 42 Ų | 42 | 79.4 Ų | 79.4 | 18% | 0.184 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.8 | 170.3 | 72.5 | -83 | 0 | 0 | 0 | 109.9 | V447 R448 A450 I458 T465 T466 W467 | V447-F456 WeakPolarHBondContact CA-O 3.38Å; R448-F456 HydrophobicContact CB-CD1 4.34Å; R448-F456 HydrophobicContact CB-CE1 3.75Å; R448-F456 HydrophobicContact CB-CE2 4.43Å; R448-F456 HydrophobicContact CB-CZ 3.81Å; R448-F456 PolarHBondContact N-O 2.79Å; R448-F456 VanDerWaalsContact O-CD1 3.22Å; R448-F456 WeakPolarHBondContact O-CD1 3.48Å; R448-F456 PolarHBondContact O-N 3Å; R448-F456 VanDerWaalsContact O-O 3.11Å; A450-F456 HydrophobicContact CB-CD1 4.16Å; A450-F456 HydrophobicContact CB-CE1 4.28Å; F456-I458 HydrophobicContact CD2-CD1 4.46Å; F456-I458 HydrophobicContact CD2-CG1 4Å; F456-I458 HydrophobicContact CE2-CD1 3.7Å; F456-I458 HydrophobicContact CE2-CG1 3.71Å; F456-I458 HydrophobicContact CZ-CD1 4.28Å; F456-T465 HydrophobicContact CE2-CG2 4.42Å; F456-T466 CarbonylContact C-O 3.55Å; F456-T466 WeakPolarHBondContact CA-O 3.39Å; F456-T466 WeakPolarHBondContact CB-O 3.3Å; F456-W467 HydrophobicContact CB-CD2 4.08Å; F456-W467 HydrophobicContact CB-CE3 3.63Å; F456-W467 HydrophobicContact CB-CH2 4.43Å; F456-W467 HydrophobicContact CB-CZ3 3.83Å; F456-W467 HydrophobicContact CD1-CH2 4.44Å; F456-W467 HydrophobicContact CD1-CZ3 4.21Å; F456-W467 HydrophobicContact CG-CZ3 4.34Å |
| 457 | F | 77.9 | Confident | 61 | Low | 17 Ų | 17 | 82.5 Ų | 82.5 | 8% | 0.075 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.6 | -170.8 | -54.9 | -94.5 | 0 | 0 | 0 | 110.1 | L441 W445 E446 V447 T465 T466 E468 D469 P470 | L441-F457 HydrophobicContact CD1-CD1 4.2Å; L441-F457 HydrophobicContact CD1-CE1 4.46Å; L441-F457 HydrophobicContact CD2-CD1 4.05Å; L441-F457 HydrophobicContact CD2-CE1 4.04Å; W445-F457 HydrophobicContact CE3-CB 4.04Å; W445-F457 HydrophobicContact CZ3-CB 4.17Å; E446-F457 CarbonylContact O-C 3.55Å; E446-F457 WeakPolarHBondContact O-CA 3.46Å; V447-F457 HydrophobicContact CB-CD1 3.79Å; V447-F457 HydrophobicContact CB-CE1 3.82Å; V447-F457 HydrophobicContact CG2-CD1 3.93Å; V447-F457 HydrophobicContact CG2-CE1 3.68Å; V447-F457 HydrophobicContact CG2-CZ 4.12Å; F457-T465 CarbonylContact O-C 3.47Å; F457-T465 WeakPolarHBondContact O-CA 3.33Å; F457-T466 HydrophobicContact CB-CG2 4.09Å; F457-T466 PolarHBondContact N-O 3.18Å; F457-T466 PolarHBondContact O-N 2.88Å; F457-E468 VanDerWaalsContact CD2-O 3.27Å; F457-E468 WeakPolarHBondContact CD2-O 3.4Å; F457-D469 HydrophobicContact CD2-CB 4.46Å; F457-D469 HydrophobicContact CE1-CB 4.25Å; F457-D469 VanDerWaalsContact CE2-CA 3.46Å; F457-D469 HydrophobicContact CE2-CB 3.79Å; F457-D469 HydrophobicContact CZ-CB 3.65Å; F457-D469 WeakPolarHBondContact CZ-OD2 3.37Å; F457-P470 HydrophobicContact CD1-CG 4.49Å |
| 458 | I | 61.2 | Low | 60.3 | Low | 18 Ų | 18 | 83.9 Ų | 83.9 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.1 | -174.6 | -50.9 | -179.2 | 0 | 0 | 0 | 108 | W445 E446 R448 F456 T465 | W445-I458 WeakPolarHBondContact CA-O 3.45Å; E446-I458 PolarHBondContact N-O 3.11Å; E446-I458 PolarHBondContact O-N 2.81Å; R448-I458 HydrophobicContact CB-CD1 4.45Å; R448-I458 HydrophobicContact CG-CD1 3.94Å; F456-I458 HydrophobicContact CD2-CD1 4.46Å; F456-I458 HydrophobicContact CD2-CG1 4Å; F456-I458 HydrophobicContact CE2-CD1 3.7Å; F456-I458 HydrophobicContact CE2-CG1 3.71Å; F456-I458 HydrophobicContact CZ-CD1 4.28Å; I458-T465 HydrophobicContact CB-CG2 4.48Å; I458-T465 HydrophobicContact CG1-CG2 4.06Å; I458-T465 HydrophobicContact CG2-CG2 4.24Å |
| 459 | N | 71.8 | Confident | 60.4 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 9% | 0.086 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 106.5 | 172.3 | -174.8 | -30.2 | 0 | 0 | 0 | 109 | W445 N461 T462 K463 M464 | W445-N459 HydrophobicContact CD2-CB 3.87Å; W445-N459 VanDerWaalsContact CE2-ND2 3.29Å; W445-N459 HydrophobicContact CE3-CB 3.81Å; W445-N459 HydrophobicContact CH2-CB 3.83Å; W445-N459 HydrophobicContact CZ2-CB 3.86Å; W445-N459 WeakPolarHBondContact CZ2-ND2 3.31Å; W445-N459 HydrophobicContact CZ3-CB 3.79Å; N459-N461 VanDerWaalsContact C-N 3.25Å; N459-N461 PolarHBondContact O-N 3.38Å; N459-N461 WeakPolarHBondContact OD1-CA 3.3Å; N459-N461 VanDerWaalsContact OD1-CB 3.29Å; N459-N461 WeakPolarHBondContact OD1-CB 3.5Å; N459-N461 PolarHBondContact OD1-N 3.44Å; N459-T462 WeakPolarHBondContact CB-OG1 3.37Å; N459-T462 PolarHBondContact ND2-OG1 3.12Å; N459-T462 PolarHBondContact OD1-N 3.19Å; N459-K463 VanDerWaalsContact O-CA 3.24Å; N459-K463 WeakPolarHBondContact O-CA 3.32Å; N459-K463 PolarHBondContact O-N 2.79Å; N459-M464 PolarHBondContact N-O 2.8Å; N459-M464 PolarHBondContact O-N 2.78Å |
| 460 | H | 53.8 | Low | 60.1 | Low | 69 Ų | 69 | 76.4 Ų | 76.4 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -18.1 | 178.7 | -72.9 | -74.6 | 0 | 0 | 0 | 113.8 | G444 E446 K463 | G444-H460 WeakPolarHBondContact O-CB 3.36Å; G444-H460 PolarHBondContact O-N 2.97Å; E446-H460 IonicContact OE2-CD2 2.7Å; E446-H460 IonicContact OE2-CE1 3.89Å; E446-H460 PolarHBondContact OE2-CE1 3.22Å; E446-H460 IonicContact OE2-NE2 2.84Å; E446-H460 PolarHBondContact OE2-NE2 2.79Å; H460-K463 WeakPolarHBondContact O-CD 3.17Å; H460-K463 VanDerWaalsContact O-CE 3.31Å; H460-K463 WeakPolarHBondContact O-CE 3.29Å; H460-K463 PolarHBondContact O-NZ 2.91Å |
| 461 | N | 60.5 | Low | 60.1 | Low | 118 Ų | 118 | 81.7 Ų | 81.7 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -36.8 | 178.2 | -52.2 | -23.8 | 0 | 0 | 0 | 110.9 | Q443 N459 | Q443-N461 PolarHBondContact O-ND2 2.71Å; Q443-N461 VanDerWaalsContact O-ND2 3.12Å; N459-N461 VanDerWaalsContact C-N 3.25Å; N459-N461 PolarHBondContact O-N 3.38Å; N459-N461 WeakPolarHBondContact OD1-CA 3.3Å; N459-N461 VanDerWaalsContact OD1-CB 3.29Å; N459-N461 WeakPolarHBondContact OD1-CB 3.5Å; N459-N461 PolarHBondContact OD1-N 3.44Å |
| 462 | T | 63 | Low | 60.1 | Low | 80 Ų | 80 | 81.7 Ų | 81.7 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -4.6 | 180 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | N459 M464 | N459-T462 WeakPolarHBondContact CB-OG1 3.37Å; N459-T462 PolarHBondContact ND2-OG1 3.12Å; N459-T462 PolarHBondContact OD1-N 3.19Å; T462-M464 PolarHBondContact O-N 2.88Å |
| 463 | K | 64.8 | Low | 59.6 | Low | 162 Ų | 162 | 83.2 Ų | 83.2 | 70% | 0.704 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 28.1 | -174.8 | -51 | -53 | -176.3 | -163.4 | 0 | 114.4 | N459 H460 | N459-K463 VanDerWaalsContact O-CA 3.24Å; N459-K463 WeakPolarHBondContact O-CA 3.32Å; N459-K463 PolarHBondContact O-N 2.79Å; H460-K463 WeakPolarHBondContact O-CD 3.17Å; H460-K463 VanDerWaalsContact O-CE 3.31Å; H460-K463 WeakPolarHBondContact O-CE 3.29Å; H460-K463 PolarHBondContact O-NZ 2.91Å |
| 464 | M | 51.6 | Low | 59 | Low | 124 Ų | 124 | 87.1 Ų | 87.1 | 61% | 0.611 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 153.2 | 177.5 | -65.5 | -179.1 | 69.8 | 0 | 0 | 112.5 | N459 T462 | N459-M464 PolarHBondContact N-O 2.8Å; N459-M464 PolarHBondContact O-N 2.78Å; T462-M464 PolarHBondContact O-N 2.88Å |
| 465 | T | 63.4 | Low | 57.8 | Low | 93 Ų | 93 | 83.4 Ų | 83.4 | 57% | 0.571 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.8 | 172.6 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | F456 F457 I458 | F456-T465 HydrophobicContact CE2-CG2 4.42Å; F457-T465 CarbonylContact O-C 3.47Å; F457-T465 WeakPolarHBondContact O-CA 3.33Å; I458-T465 HydrophobicContact CB-CG2 4.48Å; I458-T465 HydrophobicContact CG1-CG2 4.06Å; I458-T465 HydrophobicContact CG2-CG2 4.24Å |
| 466 | T | 61.2 | Low | 56.5 | Low | 43 Ų | 43 | 85.5 Ų | 85.5 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.4 | -179.9 | 177.3 | 0 | 0 | 0 | 0 | 112 | W445 F456 F457 E468 | W445-T466 HydrophobicContact CH2-CG2 4.31Å; W445-T466 HydrophobicContact CZ3-CG2 3.84Å; F456-T466 CarbonylContact C-O 3.55Å; F456-T466 WeakPolarHBondContact CA-O 3.39Å; F456-T466 WeakPolarHBondContact CB-O 3.3Å; F457-T466 HydrophobicContact CB-CG2 4.09Å; F457-T466 PolarHBondContact N-O 3.18Å; F457-T466 PolarHBondContact O-N 2.88Å; T466-E468 VanDerWaalsContact CG2-O 3.3Å; T466-E468 WeakPolarHBondContact CG2-O 3.36Å; T466-E468 PolarHBondContact OG1-N 2.9Å |
| 467 | W | 64.9 | Low | 55.1 | Low | 130 Ų | 130 | 91.4 Ų | 91.4 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -93.5 | 4.9 | 175.2 | -58.7 | 96.6 | 0 | 0 | 0 | 113.4 | A450 R454 F456 | A450-W467 HydrophobicContact CB-CH2 3.63Å; A450-W467 HydrophobicContact CB-CZ3 3.75Å; R454-W467 HydrophobicContact CB-CZ3 4.22Å; R454-W467 HydrophobicContact CG-CE3 4.04Å; R454-W467 HydrophobicContact CG-CZ3 4.18Å; F456-W467 HydrophobicContact CB-CD2 4.08Å; F456-W467 HydrophobicContact CB-CE3 3.63Å; F456-W467 HydrophobicContact CB-CH2 4.43Å; F456-W467 HydrophobicContact CB-CZ3 3.83Å; F456-W467 HydrophobicContact CD1-CH2 4.44Å; F456-W467 HydrophobicContact CD1-CZ3 4.21Å; F456-W467 HydrophobicContact CG-CZ3 4.34Å |
| 468 | E | 59.9 | Low | 53.1 | Low | 98 Ų | 98 | 96.3 Ų | 96.3 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -112.2 | 140.4 | 178.6 | -61.3 | 174.4 | -175.6 | 0 | 0 | 109.9 | F457 T466 R473 | F457-E468 VanDerWaalsContact CD2-O 3.27Å; F457-E468 WeakPolarHBondContact CD2-O 3.4Å; T466-E468 VanDerWaalsContact CG2-O 3.3Å; T466-E468 WeakPolarHBondContact CG2-O 3.36Å; T466-E468 PolarHBondContact OG1-N 2.9Å; E468-R473 IonicContact OE1-NH1 3.41Å; E468-R473 PolarHBondContact OE1-NH1 2.92Å; E468-R473 WeakPolarHBondContact OE2-CD 3.35Å; E468-R473 IonicContact OE2-CZ 3.76Å; E468-R473 IonicContact OE2-NE 2.83Å; E468-R473 IonicContact OE2-NH1 2.79Å; E468-R473 PolarHBondContact OE2-NH1 2.86Å |
| 469 | D | 62.1 | Low | 51.8 | Low | 25 Ų | 25 | 105.2 Ų | 105.2 | 13% | 0.134 | 51% | 0.511 | C | S | . | . | trans | -69.9 | 126.4 | 179.5 | -170.1 | -45.7 | 0 | 0 | 0 | 110.8 | F457 R471 L472 | F457-D469 HydrophobicContact CD2-CB 4.46Å; F457-D469 HydrophobicContact CE1-CB 4.25Å; F457-D469 VanDerWaalsContact CE2-CA 3.46Å; F457-D469 HydrophobicContact CE2-CB 3.79Å; F457-D469 HydrophobicContact CZ-CB 3.65Å; F457-D469 WeakPolarHBondContact CZ-OD2 3.37Å; D469-R471 PolarHBondContact O-N 2.89Å; D469-R471 WeakPolarHBondContact OD1-CB 3.22Å; D469-R471 VanDerWaalsContact OD1-CG 3.28Å; D469-R471 WeakPolarHBondContact OD1-CG 3.48Å; D469-R471 IonicContact OD1-CZ 3.61Å; D469-R471 PolarHBondContact OD1-N 2.86Å; D469-R471 IonicContact OD1-NE 2.74Å; D469-R471 PolarHBondContact OD1-NE 2.79Å; D469-R471 IonicContact OD1-NH2 2.68Å; D469-R471 IonicContact OD2-CZ 2.8Å; D469-R471 IonicContact OD2-NE 2.65Å; D469-R471 PolarHBondContact OD2-NE 2.88Å; D469-R471 VanDerWaalsContact OD2-NE 3.16Å; D469-R471 IonicContact OD2-NH2 3.45Å; D469-R471 PolarHBondContact OD2-NH2 3.16Å; D469-L472 HydrophobicContact CB-CD1 3.97Å; D469-L472 HydrophobicContact CB-CG 4.04Å; D469-L472 PolarHBondContact O-N 3Å | ||
| 470 | P | 56.5 | Low | 50 | Low | 29 Ų | 29 | 115.2 Ų | 115.2 | 19% | 0.188 | 55% | 0.547 | C | S | . | . | G | 310 helix | trans | -62 | -16.9 | -179 | 27.4 | -37.5 | 0 | 0 | 0 | 113.8 | L441 W445 F457 L472 | L441-P470 HydrophobicContact CD2-CG 4.21Å; W445-P470 HydrophobicContact CB-CG 4.5Å; W445-P470 HydrophobicContact CD2-CB 3.83Å; W445-P470 HydrophobicContact CD2-CG 3.72Å; W445-P470 HydrophobicContact CE3-CB 3.91Å; W445-P470 HydrophobicContact CE3-CG 3.68Å; W445-P470 HydrophobicContact CG-CB 4.5Å; W445-P470 HydrophobicContact CG-CG 4.13Å; W445-P470 HydrophobicContact CH2-CB 3.81Å; W445-P470 HydrophobicContact CH2-CG 4.47Å; W445-P470 HydrophobicContact CZ2-CB 3.74Å; W445-P470 HydrophobicContact CZ3-CB 3.91Å; W445-P470 HydrophobicContact CZ3-CG 4.07Å; F457-P470 HydrophobicContact CD1-CG 4.49Å; P470-L472 VanDerWaalsContact C-N 3.3Å |
| 471 | R | 62.5 | Low | 49 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 47% | 0.468 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -75.8 | -16.3 | 174.5 | -58.7 | 174.2 | -70.8 | -177.4 | 2.7 | 113 | S439 D469 | S439-R471 PolarHBondContact O-NH1 3.48Å; S439-R471 VanDerWaalsContact O-NH1 3.17Å; D469-R471 PolarHBondContact O-N 2.89Å; D469-R471 WeakPolarHBondContact OD1-CB 3.22Å; D469-R471 VanDerWaalsContact OD1-CG 3.28Å; D469-R471 WeakPolarHBondContact OD1-CG 3.48Å; D469-R471 IonicContact OD1-CZ 3.61Å; D469-R471 PolarHBondContact OD1-N 2.86Å; D469-R471 IonicContact OD1-NE 2.74Å; D469-R471 PolarHBondContact OD1-NE 2.79Å; D469-R471 IonicContact OD1-NH2 2.68Å; D469-R471 IonicContact OD2-CZ 2.8Å; D469-R471 IonicContact OD2-NE 2.65Å; D469-R471 PolarHBondContact OD2-NE 2.88Å; D469-R471 VanDerWaalsContact OD2-NE 3.16Å; D469-R471 IonicContact OD2-NH2 3.45Å; D469-R471 PolarHBondContact OD2-NH2 3.16Å |
| 472 | L | 47.1 | Very low | 47.9 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 79% | 0.791 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -101.5 | 0.6 | -173.5 | -61.6 | -179.8 | 0 | 0 | 0 | 114.3 | D469 P470 | D469-L472 HydrophobicContact CB-CD1 3.97Å; D469-L472 HydrophobicContact CB-CG 4.04Å; D469-L472 PolarHBondContact O-N 3Å; P470-L472 VanDerWaalsContact C-N 3.3Å |
| 473 | R | 42 | Very low | 46.6 | Very low | 156 Ų | 156 | 115.9 Ų | 115.9 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | trans | -135.6 | 110.5 | -176.7 | -162.7 | 170.7 | -167.9 | 158.2 | 5 | 112.8 | E468 P475 | E468-R473 IonicContact OE1-NH1 3.41Å; E468-R473 PolarHBondContact OE1-NH1 2.92Å; E468-R473 WeakPolarHBondContact OE2-CD 3.35Å; E468-R473 IonicContact OE2-CZ 3.76Å; E468-R473 IonicContact OE2-NE 2.83Å; E468-R473 IonicContact OE2-NH1 2.79Å; E468-R473 PolarHBondContact OE2-NH1 2.86Å; R473-P475 WeakPolarHBondContact O-CD 3.44Å | ||
| 474 | I | 36.6 | Very low | 45.6 | Very low | 137 Ų | 137 | 111.1 Ų | 111.1 | 70% | 0.703 | 56% | 0.561 | S | S | * | * | trans | -83.1 | 116.2 | 162.6 | -59.8 | 174.4 | 0 | 0 | 0 | 107.6 | ||||
| 475 | P | 29.3 | Very low | 45.3 | Very low | 58 Ų | 58 | 107.5 Ų | 107.5 | 38% | 0.377 | 54% | 0.544 | S | S | . | . | trans | -71.3 | 137 | -179.6 | -19.3 | 33.9 | 0 | 0 | 0 | 111.8 | R473 Q477 | R473-P475 WeakPolarHBondContact O-CD 3.44Å; P475-Q477 PolarHBondContact O-N 2.87Å | ||
| 476 | P | 33.2 | Very low | 44.4 | Very low | 105 Ų | 105 | 105.1 Ų | 105.1 | 68% | 0.682 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -67 | -6.5 | 179.6 | 27.6 | -35.5 | 0 | 0 | 0 | 114 | I478 R479 | P476-I478 VanDerWaalsContact C-N 3.26Å; P476-I478 PolarHBondContact O-N 2.78Å; P476-R479 PolarHBondContact O-N 2.86Å |
| 477 | Q | 34.9 | Very low | 43.7 | Very low | 167 Ų | 167 | 111.7 Ų | 111.7 | 78% | 0.78 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -68 | -19.9 | -179.5 | -70.4 | 171.2 | -42.7 | 0 | 0 | 113.8 | P475 R479 | P475-Q477 PolarHBondContact O-N 2.87Å; Q477-R479 PolarHBondContact O-N 2.89Å |
| 478 | I | 34.1 | Very low | 43 | Very low | 120 Ų | 120 | 110.8 Ų | 110.8 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -70.2 | -18 | 177.3 | -63.1 | 173.6 | 0 | 0 | 0 | 111.9 | P476 R480 | P476-I478 VanDerWaalsContact C-N 3.26Å; P476-I478 PolarHBondContact O-N 2.78Å; I478-R480 PolarHBondContact O-N 2.94Å |
| 479 | R | 34.8 | Very low | 42.8 | Very low | 205 Ų | 205 | 107.6 Ų | 107.6 | 77% | 0.774 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -70 | 11.1 | 177.9 | -70.2 | -174.3 | 167.3 | -164.2 | -7.9 | 115 | P476 Q477 | P476-R479 PolarHBondContact O-N 2.86Å; Q477-R479 PolarHBondContact O-N 2.89Å |
| 480 | R | 34.3 | Very low | 42.6 | Very low | 225 Ų | 225 | 108.1 Ų | 108.1 | 85% | 0.849 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -139.1 | 44.5 | -178 | -70.9 | -164.2 | 175.4 | -169.5 | -1 | 115.6 | I478 | I478-R480 PolarHBondContact O-N 2.94Š|
| 481 | T | 31.6 | Very low | 43 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 74% | 0.742 | 59% | 0.585 | S | S | * | * | trans | -135.6 | 135.2 | 152.8 | 47.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 482 | G | 37.2 | Very low | 43.5 | Very low | 72 Ų | 72 | 108.5 Ų | 108.5 | 74% | 0.742 | 57% | 0.573 | S | S | * | * | cis | 132.8 | 65.4 | 14.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 483 | S | 36.3 | Very low | 45 | Very low | 89 Ų | 89 | 103.4 Ų | 103.4 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | trans | 59.4 | 106.5 | -167.4 | -174.4 | 0 | 0 | 0 | 0 | 114.8 | D485 | S483-D485 PolarHBondContact O-N 3.33Š| ||
| 484 | L | 44.4 | Very low | 46.3 | Very low | 61 Ų | 61 | 101.8 Ų | 101.8 | 32% | 0.319 | 56% | 0.558 | S | S | . | * | trans | -80.7 | 92.4 | 166 | -65.3 | 173.1 | 0 | 0 | 0 | 109.4 | L831 | L484-L831 HydrophobicContact CB-CD2 3.89Š| ||
| 485 | D | 45.6 | Very low | 48.2 | Very low | 48 Ų | 48 | 96.7 Ų | 96.7 | 26% | 0.257 | 54% | 0.54 | S | S | . | . | trans | -92.5 | 151.5 | 161 | -153.1 | 54.2 | 0 | 0 | 0 | 109.6 | S483 K487 D488 R900 | S483-D485 PolarHBondContact O-N 3.33Å; D485-K487 PolarHBondContact O-N 2.81Å; D485-D488 WeakPolarHBondContact CB-OD2 3.36Å; D485-D488 PolarHBondContact O-N 3.04Å; D485-R900 IonicContact OD1-NH1 2.71Å; D485-R900 PolarHBondContact OD1-NH1 2.82Å; D485-R900 VanDerWaalsContact OD1-NH1 3.12Å; D485-R900 IonicContact OD1-NH2 3.5Å | ||
| 486 | P | 44.7 | Very low | 50.6 | Low | 44 Ų | 44 | 96.2 Ų | 96.2 | 29% | 0.286 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14.8 | -174.5 | -27.3 | 36.8 | 0 | 0 | 0 | 115.5 | L831 | P486-L831 HydrophobicContact CG-CD1 4.22Š|
| 487 | K | 46.7 | Very low | 53 | Low | 180 Ų | 180 | 94 Ų | 94 | 78% | 0.783 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -22.7 | 176.6 | -63.2 | 169 | -174 | 163.7 | 0 | 112.9 | D485 | D485-K487 PolarHBondContact O-N 2.81Š|
| 488 | D | 49.8 | Very low | 55.3 | Low | 112 Ų | 112 | 90.2 Ų | 90.2 | 60% | 0.599 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -94.3 | -1.9 | -173.5 | -54.6 | -53.4 | 0 | 0 | 0 | 113 | D485 G490 | D485-D488 WeakPolarHBondContact CB-OD2 3.36Å; D485-D488 PolarHBondContact O-N 3.04Å; D488-G490 PolarHBondContact O-N 3.43Å; D488-G490 VanDerWaalsContact O-N 3.13Å |
| 489 | L | 55.5 | Low | 57.3 | Low | 31 Ų | 31 | 90.2 Ų | 90.2 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -68.7 | -4.9 | 178.8 | -64.7 | 174.7 | 0 | 0 | 0 | 114.3 | R522 L523 L831 | L489-R522 WeakPolarHBondContact O-CD 3.26Å; L489-L523 HydrophobicContact CD1-CD2 4.04Å; L489-L523 HydrophobicContact CD2-CD2 3.99Å; L489-L831 HydrophobicContact CD2-CD2 4.38Å |
| 490 | G | 57 | Low | 59.2 | Low | 35 Ų | 35 | 86.4 Ų | 86.4 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | trans | 74.1 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D488 R522 | D488-G490 PolarHBondContact O-N 3.43Å; D488-G490 VanDerWaalsContact O-N 3.13Å; G490-R522 WeakPolarHBondContact O-CD 3.3Å; G490-R522 PolarHBondContact O-NH1 3.07Å | ||
| 491 | P | 66.3 | Low | 61 | Low | 122 Ų | 122 | 79.3 Ų | 79.3 | 79% | 0.792 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -65.6 | 155.2 | 177.2 | 29.3 | -35.3 | 0 | 0 | 0 | 111.5 | ||
| 492 | L | 72.3 | Confident | 62.3 | Low | 39 Ų | 39 | 79 Ų | 79 | 20% | 0.204 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 150.1 | 171.8 | -77.7 | 171.3 | 0 | 0 | 0 | 111.4 | W496 E498 F508 P521 R522 | L492-W496 HydrophobicContact CB-CB 4.21Å; L492-E498 HydrophobicContact CD1-CB 3.98Å; L492-F508 HydrophobicContact CD1-CD1 4.3Å; L492-F508 HydrophobicContact CD1-CE1 4.48Å; L492-F508 HydrophobicContact CD2-CD1 3.92Å; L492-F508 HydrophobicContact CD2-CE1 3.96Å; L492-P521 HydrophobicContact CD2-CG 3.6Å; L492-R522 HydrophobicContact CD2-CG 4.25Å |
| 493 | P | 77.7 | Confident | 63.4 | Low | 45 Ų | 45 | 79.4 Ų | 79.4 | 29% | 0.292 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 153.1 | 176.3 | -18.9 | 32.1 | 0 | 0 | 0 | 111.7 | G495 W496 P521 | P493-G495 PolarHBondContact O-N 3.27Å; P493-W496 WeakPolarHBondContact O-CB 3.46Å; P493-W496 PolarHBondContact O-N 3.33Å; P493-P521 HydrophobicContact CG-CB 4.24Å; P493-P521 HydrophobicContact CG-CG 4.29Å |
| 494 | P | 71.2 | Confident | 64.4 | Low | 121 Ų | 121 | 77.7 Ų | 77.7 | 79% | 0.786 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 129.7 | -177.6 | -29.3 | 36.4 | 0 | 0 | 0 | 113.9 | N512 | P494-N512 PolarHBondContact O-ND2 3.11Š|
| 495 | G | 75.1 | Confident | 64.9 | Low | 31 Ų | 31 | 78.3 Ų | 78.3 | 32% | 0.32 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 13.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P493 H511 | P493-G495 PolarHBondContact O-N 3.27Å; G495-H511 WeakPolarHBondContact O-CB 3.27Å; G495-H511 PolarHBondContact O-N 3.01Å |
| 496 | W | 80.4 | Confident | 66.2 | Low | 47 Ų | 47 | 79.5 Ų | 79.5 | 18% | 0.178 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.2 | 168.2 | -68.3 | 82.6 | 0 | 0 | 0 | 112.1 | L492 P493 F508 I509 N510 Q517 P521 | L492-W496 HydrophobicContact CB-CB 4.21Å; P493-W496 WeakPolarHBondContact O-CB 3.46Å; P493-W496 PolarHBondContact O-N 3.33Å; W496-F508 HydrophobicContact CE3-CB 4.05Å; W496-F508 HydrophobicContact CZ3-CB 4.2Å; W496-I509 CarbonylContact C-O 3.51Å; W496-I509 VanDerWaalsContact CA-O 3.3Å; W496-I509 WeakPolarHBondContact CA-O 3.32Å; W496-N510 HydrophobicContact CD2-CB 3.85Å; W496-N510 HydrophobicContact CE3-CB 3.73Å; W496-N510 HydrophobicContact CH2-CB 3.75Å; W496-N510 HydrophobicContact CZ2-CB 3.85Å; W496-N510 WeakPolarHBondContact CZ2-ND2 3.33Å; W496-N510 HydrophobicContact CZ3-CB 3.68Å; W496-Q517 VanDerWaalsContact CH2-CD 3.49Å; W496-Q517 HydrophobicContact CH2-CG 4.31Å; W496-Q517 HydrophobicContact CZ3-CG 3.89Å; W496-P521 HydrophobicContact CB-CG 4.13Å; W496-P521 HydrophobicContact CD2-CB 3.63Å; W496-P521 HydrophobicContact CD2-CG 3.54Å; W496-P521 HydrophobicContact CE3-CB 3.84Å; W496-P521 HydrophobicContact CE3-CG 3.63Å; W496-P521 HydrophobicContact CG-CB 4.19Å; W496-P521 HydrophobicContact CG-CG 3.8Å; W496-P521 HydrophobicContact CH2-CB 3.89Å; W496-P521 HydrophobicContact CZ2-CB 3.69Å; W496-P521 HydrophobicContact CZ3-CB 3.96Å; W496-P521 HydrophobicContact CZ3-CG 4.15Å |
| 497 | E | 83.3 | Confident | 67.7 | Low | 59 Ų | 59 | 79.1 Ų | 79.1 | 28% | 0.276 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.8 | 178 | -178.4 | -174.2 | 179.9 | 0 | 0 | 110.5 | R499 F508 I509 H511 | E497-R499 VanDerWaalsContact CD-NE 3.33Å; E497-R499 VanDerWaalsContact CD-NH2 3.28Å; E497-R499 HydrophobicContact CG-CG 4.28Å; E497-R499 IonicContact OE1-CZ 2.86Å; E497-R499 IonicContact OE1-NE 3.64Å; E497-R499 PolarHBondContact OE1-NE 3.33Å; E497-R499 IonicContact OE1-NH2 3.81Å; E497-R499 PolarHBondContact OE1-NH2 3.06Å; E497-R499 IonicContact OE2-CZ 3.93Å; E497-R499 IonicContact OE2-NE 3.91Å; E497-R499 IonicContact OE2-NH2 2.76Å; E497-R499 PolarHBondContact OE2-NH2 3.38Å; E497-F508 CarbonylContact O-C 3.53Å; E497-F508 WeakPolarHBondContact O-CA 3.18Å; E497-I509 HydrophobicContact CB-CB 4.38Å; E497-I509 PolarHBondContact N-O 2.93Å; E497-I509 PolarHBondContact O-N 3.26Å; E497-H511 WeakPolarHBondContact CB-NE2 3.32Å; E497-H511 IonicContact OE2-CE1 3.77Å; E497-H511 PolarHBondContact OE2-CE1 2.97Å; E497-H511 VanDerWaalsContact OE2-CE1 3.3Å; E497-H511 IonicContact OE2-NE2 2.75Å; E497-H511 PolarHBondContact OE2-NE2 2.9Å |
| 498 | E | 82.3 | Confident | 69.4 | Low | 88 Ų | 88 | 71.1 Ų | 71.1 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.5 | 172.1 | -165.6 | 172.3 | 128.1 | 0 | 0 | 110 | L492 I506 F508 R522 | L492-E498 HydrophobicContact CD1-CB 3.98Å; E498-I506 HydrophobicContact CG-CG2 3.42Å; E498-I506 VanDerWaalsContact CG-CG2 3.42Å; E498-F508 HydrophobicContact CB-CD1 4.22Å; E498-F508 HydrophobicContact CB-CE1 4.03Å; E498-F508 HydrophobicContact CG-CD1 4.2Å; E498-F508 HydrophobicContact CG-CE1 3.65Å; E498-F508 HydrophobicContact CG-CZ 4.15Å; E498-F508 WeakPolarHBondContact OE2-CE1 3.26Å; E498-R522 IonicContact OE2-NH2 2.71Å; E498-R522 PolarHBondContact OE2-NH2 3.05Å |
| 499 | R | 76.6 | Confident | 71 | Confident | 120 Ų | 120 | 67 Ų | 67 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.9 | 172.8 | -71.2 | -155 | -176.3 | 160 | 9.8 | 112.3 | E497 I506 F507 I509 | E497-R499 VanDerWaalsContact CD-NE 3.33Å; E497-R499 VanDerWaalsContact CD-NH2 3.28Å; E497-R499 HydrophobicContact CG-CG 4.28Å; E497-R499 IonicContact OE1-CZ 2.86Å; E497-R499 IonicContact OE1-NE 3.64Å; E497-R499 PolarHBondContact OE1-NE 3.33Å; E497-R499 IonicContact OE1-NH2 3.81Å; E497-R499 PolarHBondContact OE1-NH2 3.06Å; E497-R499 IonicContact OE2-CZ 3.93Å; E497-R499 IonicContact OE2-NE 3.91Å; E497-R499 IonicContact OE2-NH2 2.76Å; E497-R499 PolarHBondContact OE2-NH2 3.38Å; R499-I506 CarbonylContact O-C 3.53Å; R499-I506 WeakPolarHBondContact O-CA 3.36Å; R499-F507 HydrophobicContact CB-CD1 4.09Å; R499-F507 HydrophobicContact CB-CE1 3.55Å; R499-F507 HydrophobicContact CB-CE2 4.26Å; R499-F507 HydrophobicContact CB-CZ 3.66Å; R499-F507 PolarHBondContact N-O 3.17Å; R499-F507 VanDerWaalsContact O-CD1 3.29Å; R499-F507 WeakPolarHBondContact O-CD1 3.4Å; R499-F507 PolarHBondContact O-N 3.08Å; R499-I509 HydrophobicContact CG-CD1 4.02Å |
| 500 | I | 74.3 | Confident | 72.3 | Confident | 124 Ų | 124 | 66.3 Ų | 66.3 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.1 | 175.2 | -57.4 | 173.7 | 0 | 0 | 0 | 108.3 | I506 | I500-I506 HydrophobicContact CG1-CG1 4.24Å |
| 501 | H | 72.8 | Confident | 73.2 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | trans | -80.5 | 165.9 | 175.3 | -175.3 | -106.5 | 0 | 0 | 0 | 111.1 | D503 G504 R505 F507 W518 | H501-D503 IonicContact CE1-OD1 2.76Å; H501-D503 IonicContact CG-OD1 2.69Å; H501-D503 IonicContact ND1-OD1 2.7Å; H501-D503 PolarHBondContact ND1-OD1 3.01Å; H501-D503 PolarHBondContact O-N 3.28Å; H501-D503 VanDerWaalsContact O-N 3.1Å; H501-G504 PolarHBondContact O-N 3.4Å; H501-R505 WeakPolarHBondContact CB-O 3.46Å; H501-R505 PolarHBondContact N-O 3.38Å; H501-F507 HydrophobicContact CB-CD1 3.93Å; H501-F507 HydrophobicContact CB-CE1 4.06Å; H501-W518 HydrophobicContact CB-CH2 3.94Å; H501-W518 HydrophobicContact CB-CZ3 3.99Å; H501-W518 AromaticContact CG-CH2 3.81Å | ||
| 502 | S | 60.3 | Low | 73.7 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.5 | -173.8 | 56.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 503 | D | 59.1 | Low | 74.1 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 14.3 | 173.3 | 70.5 | -21 | 0 | 0 | 0 | 113.4 | H501 R505 | H501-D503 IonicContact CE1-OD1 2.76Å; H501-D503 IonicContact CG-OD1 2.69Å; H501-D503 IonicContact ND1-OD1 2.7Å; H501-D503 PolarHBondContact ND1-OD1 3.01Å; H501-D503 PolarHBondContact O-N 3.28Å; H501-D503 VanDerWaalsContact O-N 3.1Å; D503-R505 VanDerWaalsContact C-N 3.32Å; D503-R505 PolarHBondContact O-N 2.96Å; D503-R505 PolarHBondContact OD1-N 3.49Å; D503-R505 IonicContact OD1-NE 3.99Å; D503-R505 IonicContact OD2-CZ 3.91Å; D503-R505 IonicContact OD2-NE 3.95Å; D503-R505 PolarHBondContact OD2-NE 2.93Å; D503-R505 IonicContact OD2-NH2 3.12Å; D503-R505 PolarHBondContact OD2-NH2 3.32Å |
| 504 | G | 57.1 | Low | 74.2 | Confident | 53 Ų | 53 | 80.2 Ų | 80.2 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 83.2 | -3.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H501 | H501-G504 PolarHBondContact O-N 3.4Š|
| 505 | R | 56.3 | Low | 74.4 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 28% | 0.279 | 40% | 0.4 | S | S | . | . | trans | -71.8 | 138.3 | 176.6 | -75.6 | -171.4 | -106.1 | -162 | -4.8 | 112.2 | H501 D503 W518 D818 M820 | H501-R505 WeakPolarHBondContact CB-O 3.46Å; H501-R505 PolarHBondContact N-O 3.38Å; D503-R505 VanDerWaalsContact C-N 3.32Å; D503-R505 PolarHBondContact O-N 2.96Å; D503-R505 PolarHBondContact OD1-N 3.49Å; D503-R505 IonicContact OD1-NE 3.99Å; D503-R505 IonicContact OD2-CZ 3.91Å; D503-R505 IonicContact OD2-NE 3.95Å; D503-R505 PolarHBondContact OD2-NE 2.93Å; D503-R505 IonicContact OD2-NH2 3.12Å; D503-R505 PolarHBondContact OD2-NH2 3.32Å; R505-W518 HydrophobicContact CB-CE3 4.1Å; R505-W518 HydrophobicContact CB-CH2 4.49Å; R505-W518 HydrophobicContact CB-CZ3 3.57Å; R505-D818 PolarHBondContact NH1-O 2.69Å; R505-D818 VanDerWaalsContact NH1-O 3.15Å; R505-M820 HydrophobicContact CG-SD 4.06Å | ||
| 506 | I | 72.8 | Confident | 74.7 | Confident | 73 Ų | 73 | 80 Ų | 80 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.5 | 172.9 | -65.3 | 167.1 | 0 | 0 | 0 | 109.5 | E498 R499 I500 F508 | E498-I506 HydrophobicContact CG-CG2 3.42Å; E498-I506 VanDerWaalsContact CG-CG2 3.42Å; R499-I506 CarbonylContact O-C 3.53Å; R499-I506 WeakPolarHBondContact O-CA 3.36Å; I500-I506 HydrophobicContact CG1-CG1 4.24Å; I506-F508 HydrophobicContact CG2-CE1 4.37Å; I506-F508 HydrophobicContact CG2-CE2 3.85Å; I506-F508 HydrophobicContact CG2-CZ 3.73Å |
| 507 | F | 74.8 | Confident | 74.5 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 158.8 | 171.8 | 72.3 | -78.6 | 0 | 0 | 0 | 110.9 | R499 H501 I509 T516 W518 | R499-F507 HydrophobicContact CB-CD1 4.09Å; R499-F507 HydrophobicContact CB-CE1 3.55Å; R499-F507 HydrophobicContact CB-CE2 4.26Å; R499-F507 HydrophobicContact CB-CZ 3.66Å; R499-F507 PolarHBondContact N-O 3.17Å; R499-F507 VanDerWaalsContact O-CD1 3.29Å; R499-F507 WeakPolarHBondContact O-CD1 3.4Å; R499-F507 PolarHBondContact O-N 3.08Å; H501-F507 HydrophobicContact CB-CD1 3.93Å; H501-F507 HydrophobicContact CB-CE1 4.06Å; F507-I509 HydrophobicContact CD2-CG1 4.05Å; F507-I509 HydrophobicContact CE2-CD1 3.81Å; F507-I509 HydrophobicContact CE2-CG1 3.69Å; F507-I509 HydrophobicContact CZ-CD1 4.37Å; F507-T516 HydrophobicContact CD2-CG2 4.4Å; F507-T516 HydrophobicContact CE2-CG2 4.27Å; F507-W518 HydrophobicContact CB-CD2 4.16Å; F507-W518 HydrophobicContact CB-CE3 3.62Å; F507-W518 HydrophobicContact CB-CH2 4.44Å; F507-W518 HydrophobicContact CB-CZ3 3.77Å; F507-W518 HydrophobicContact CD1-CZ3 4.43Å; F507-W518 HydrophobicContact CG-CZ3 4.44Å |
| 508 | F | 83.3 | Confident | 73.9 | Confident | 12 Ų | 12 | 81.3 Ų | 81.3 | 5% | 0.053 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.1 | -173.6 | -59.7 | -89.9 | 0 | 0 | 0 | 110.6 | L492 W496 E497 E498 I506 T516 Q517 E519 D520 | L492-F508 HydrophobicContact CD1-CD1 4.3Å; L492-F508 HydrophobicContact CD1-CE1 4.48Å; L492-F508 HydrophobicContact CD2-CD1 3.92Å; L492-F508 HydrophobicContact CD2-CE1 3.96Å; W496-F508 HydrophobicContact CE3-CB 4.05Å; W496-F508 HydrophobicContact CZ3-CB 4.2Å; E497-F508 CarbonylContact O-C 3.53Å; E497-F508 WeakPolarHBondContact O-CA 3.18Å; E498-F508 HydrophobicContact CB-CD1 4.22Å; E498-F508 HydrophobicContact CB-CE1 4.03Å; E498-F508 HydrophobicContact CG-CD1 4.2Å; E498-F508 HydrophobicContact CG-CE1 3.65Å; E498-F508 HydrophobicContact CG-CZ 4.15Å; E498-F508 WeakPolarHBondContact OE2-CE1 3.26Å; I506-F508 HydrophobicContact CG2-CE1 4.37Å; I506-F508 HydrophobicContact CG2-CE2 3.85Å; I506-F508 HydrophobicContact CG2-CZ 3.73Å; F508-T516 WeakPolarHBondContact O-CA 3.16Å; F508-Q517 HydrophobicContact CB-CG 4.39Å; F508-Q517 PolarHBondContact N-O 3.5Å; F508-Q517 PolarHBondContact O-N 2.96Å; F508-E519 WeakPolarHBondContact CD2-O 3.43Å; F508-D520 HydrophobicContact CD2-CB 4.44Å; F508-D520 HydrophobicContact CE1-CB 4.22Å; F508-D520 VanDerWaalsContact CE2-CA 3.48Å; F508-D520 HydrophobicContact CE2-CB 3.78Å; F508-D520 HydrophobicContact CZ-CB 3.65Å |
| 509 | I | 81.8 | Confident | 73.2 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 12% | 0.123 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.2 | -179.2 | -48.8 | -176.5 | 0 | 0 | 0 | 108.3 | W496 E497 R499 F507 T516 | W496-I509 CarbonylContact C-O 3.51Å; W496-I509 VanDerWaalsContact CA-O 3.3Å; W496-I509 WeakPolarHBondContact CA-O 3.32Å; E497-I509 HydrophobicContact CB-CB 4.38Å; E497-I509 PolarHBondContact N-O 2.93Å; E497-I509 PolarHBondContact O-N 3.26Å; R499-I509 HydrophobicContact CG-CD1 4.02Å; F507-I509 HydrophobicContact CD2-CG1 4.05Å; F507-I509 HydrophobicContact CE2-CD1 3.81Å; F507-I509 HydrophobicContact CE2-CG1 3.69Å; F507-I509 HydrophobicContact CZ-CD1 4.37Å; I509-T516 HydrophobicContact CG1-CG2 4.14Å; I509-T516 HydrophobicContact CG2-CG2 4.32Å |
| 510 | N | 83.3 | Confident | 73 | Confident | 18 Ų | 18 | 75 Ų | 75 | 10% | 0.096 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 100.8 | 170.5 | -173.8 | -19 | 0 | 0 | 0 | 109.1 | W496 N512 T513 R514 A515 | W496-N510 HydrophobicContact CD2-CB 3.85Å; W496-N510 HydrophobicContact CE3-CB 3.73Å; W496-N510 HydrophobicContact CH2-CB 3.75Å; W496-N510 HydrophobicContact CZ2-CB 3.85Å; W496-N510 WeakPolarHBondContact CZ2-ND2 3.33Å; W496-N510 HydrophobicContact CZ3-CB 3.68Å; N510-N512 PolarHBondContact O-N 3.46Å; N510-N512 WeakPolarHBondContact OD1-CA 3.33Å; N510-N512 VanDerWaalsContact OD1-CB 3.24Å; N510-N512 WeakPolarHBondContact OD1-CB 3.46Å; N510-N512 PolarHBondContact OD1-N 3.2Å; N510-N512 PolarHBondContact OD1-ND2 3.41Å; N510-N512 VanDerWaalsContact OD1-ND2 3.08Å; N510-T513 WeakPolarHBondContact CB-OG1 3.4Å; N510-T513 PolarHBondContact ND2-OG1 3.46Å; N510-T513 PolarHBondContact O-N 3.39Å; N510-T513 PolarHBondContact OD1-N 2.84Å; N510-R514 WeakPolarHBondContact O-CA 3.46Å; N510-R514 PolarHBondContact O-N 2.83Å; N510-A515 PolarHBondContact N-O 3.1Å; N510-A515 PolarHBondContact O-N 2.98Å |
| 511 | H | 76.5 | Confident | 72.7 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 44% | 0.44 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.2 | 178.3 | -69.5 | -81 | 0 | 0 | 0 | 113.1 | G495 E497 | G495-H511 WeakPolarHBondContact O-CB 3.27Å; G495-H511 PolarHBondContact O-N 3.01Å; E497-H511 WeakPolarHBondContact CB-NE2 3.32Å; E497-H511 IonicContact OE2-CE1 3.77Å; E497-H511 PolarHBondContact OE2-CE1 2.97Å; E497-H511 VanDerWaalsContact OE2-CE1 3.3Å; E497-H511 IonicContact OE2-NE2 2.75Å; E497-H511 PolarHBondContact OE2-NE2 2.9Å |
| 512 | N | 75.9 | Confident | 72.5 | Confident | 113 Ų | 113 | 68 Ų | 68 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -38.4 | 177.8 | -46.6 | -71.1 | 0 | 0 | 0 | 111.8 | P494 N510 | P494-N512 PolarHBondContact O-ND2 3.11Å; N510-N512 PolarHBondContact O-N 3.46Å; N510-N512 WeakPolarHBondContact OD1-CA 3.33Å; N510-N512 VanDerWaalsContact OD1-CB 3.24Å; N510-N512 WeakPolarHBondContact OD1-CB 3.46Å; N510-N512 PolarHBondContact OD1-N 3.2Å; N510-N512 PolarHBondContact OD1-ND2 3.41Å; N510-N512 VanDerWaalsContact OD1-ND2 3.08Å |
| 513 | T | 81.1 | Confident | 72.4 | Confident | 94 Ų | 94 | 63.4 Ų | 63.4 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -8.8 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | N510 A515 | N510-T513 WeakPolarHBondContact CB-OG1 3.4Å; N510-T513 PolarHBondContact ND2-OG1 3.46Å; N510-T513 PolarHBondContact O-N 3.39Å; N510-T513 PolarHBondContact OD1-N 2.84Å; T513-A515 PolarHBondContact O-N 3.4Å; T513-A515 WeakPolarHBondContact OG1-CB 3.26Å |
| 514 | R | 79.7 | Confident | 72.3 | Confident | 231 Ų | 231 | 64.1 Ų | 64.1 | 87% | 0.872 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 28.4 | -170.5 | -55.7 | -177.9 | -179.6 | 177.8 | -0 | 113.9 | N510 | N510-R514 WeakPolarHBondContact O-CA 3.46Å; N510-R514 PolarHBondContact O-N 2.83Å |
| 515 | A | 75.8 | Confident | 72.2 | Confident | 50 Ų | 50 | 66 Ų | 66 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 150.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N510 T513 | N510-A515 PolarHBondContact N-O 3.1Å; N510-A515 PolarHBondContact O-N 2.98Å; T513-A515 PolarHBondContact O-N 3.4Å; T513-A515 WeakPolarHBondContact OG1-CB 3.26Å |
| 516 | T | 80.8 | Confident | 71.6 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.1 | 171.4 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | F507 F508 I509 | F507-T516 HydrophobicContact CD2-CG2 4.4Å; F507-T516 HydrophobicContact CE2-CG2 4.27Å; F508-T516 WeakPolarHBondContact O-CA 3.16Å; I509-T516 HydrophobicContact CG1-CG2 4.14Å; I509-T516 HydrophobicContact CG2-CG2 4.32Å |
| 517 | Q | 76.4 | Confident | 70.2 | Confident | 45 Ų | 45 | 66.3 Ų | 66.3 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 163.6 | 174.1 | 69.2 | -176.3 | 32.1 | 0 | 0 | 110.3 | W496 F508 E519 Q524 | W496-Q517 VanDerWaalsContact CH2-CD 3.49Å; W496-Q517 HydrophobicContact CH2-CG 4.31Å; W496-Q517 HydrophobicContact CZ3-CG 3.89Å; F508-Q517 HydrophobicContact CB-CG 4.39Å; F508-Q517 PolarHBondContact N-O 3.5Å; F508-Q517 PolarHBondContact O-N 2.96Å; Q517-E519 HydrophobicContact CG-CB 4.23Å; Q517-E519 WeakPolarHBondContact CG-O 3.19Å; Q517-E519 PolarHBondContact NE2-O 3.04Å; Q517-Q524 VanDerWaalsContact NE2-NE2 3.13Å |
| 518 | W | 71.2 | Confident | 69.1 | Low | 90 Ų | 90 | 66.3 Ų | 66.3 | 34% | 0.341 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -90.1 | -14.1 | 176.4 | -59.8 | 96.8 | 0 | 0 | 0 | 112 | H501 R505 F507 | H501-W518 HydrophobicContact CB-CH2 3.94Å; H501-W518 HydrophobicContact CB-CZ3 3.99Å; H501-W518 AromaticContact CG-CH2 3.81Å; R505-W518 HydrophobicContact CB-CE3 4.1Å; R505-W518 HydrophobicContact CB-CH2 4.49Å; R505-W518 HydrophobicContact CB-CZ3 3.57Å; F507-W518 HydrophobicContact CB-CD2 4.16Å; F507-W518 HydrophobicContact CB-CE3 3.62Å; F507-W518 HydrophobicContact CB-CH2 4.44Å; F507-W518 HydrophobicContact CB-CZ3 3.77Å; F507-W518 HydrophobicContact CD1-CZ3 4.43Å; F507-W518 HydrophobicContact CG-CZ3 4.44Å |
| 519 | E | 67.4 | Low | 67.4 | Low | 54 Ų | 54 | 65.9 Ų | 65.9 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -78.7 | 133.7 | -179.3 | -71.2 | 66.2 | -157.4 | 0 | 0 | 112.8 | F508 Q517 P521 R806 | F508-E519 WeakPolarHBondContact CD2-O 3.43Å; Q517-E519 HydrophobicContact CG-CB 4.23Å; Q517-E519 WeakPolarHBondContact CG-O 3.19Å; Q517-E519 PolarHBondContact NE2-O 3.04Å; E519-P521 WeakPolarHBondContact O-CD 3.36Å; E519-R806 IonicContact OE1-CZ 3.35Å; E519-R806 VanDerWaalsContact OE1-CZ 3.22Å; E519-R806 IonicContact OE1-NH1 3.16Å; E519-R806 PolarHBondContact OE1-NH1 3.27Å; E519-R806 IonicContact OE1-NH2 2.7Å; E519-R806 PolarHBondContact OE1-NH2 3.38Å |
| 520 | D | 71.8 | Confident | 65.9 | Low | 21 Ų | 21 | 65.5 Ų | 65.5 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | trans | -68.5 | 120.4 | 169.2 | -171.6 | -33.4 | 0 | 0 | 0 | 110 | F508 R522 L523 | F508-D520 HydrophobicContact CD2-CB 4.44Å; F508-D520 HydrophobicContact CE1-CB 4.22Å; F508-D520 VanDerWaalsContact CE2-CA 3.48Å; F508-D520 HydrophobicContact CE2-CB 3.78Å; F508-D520 HydrophobicContact CZ-CB 3.65Å; D520-R522 PolarHBondContact O-N 3.44Å; D520-R522 WeakPolarHBondContact OD1-CB 3.41Å; D520-R522 WeakPolarHBondContact OD1-CG 3.15Å; D520-R522 IonicContact OD1-CZ 2.76Å; D520-R522 PolarHBondContact OD1-N 3.31Å; D520-R522 IonicContact OD1-NE 3.22Å; D520-R522 PolarHBondContact OD1-NE 3.21Å; D520-R522 IonicContact OD1-NH2 3.86Å; D520-R522 IonicContact OD2-CZ 3.13Å; D520-R522 VanDerWaalsContact OD2-CZ 3.23Å; D520-R522 IonicContact OD2-NE 3.53Å; D520-R522 PolarHBondContact OD2-NE 3.45Å; D520-R522 IonicContact OD2-NH2 3.48Å; D520-R522 PolarHBondContact OD2-NH2 2.96Å; D520-L523 HydrophobicContact CB-CD1 4Å; D520-L523 HydrophobicContact CB-CG 4.05Å; D520-L523 PolarHBondContact O-N 3.08Å | ||
| 521 | P | 69.4 | Low | 64.1 | Low | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.071 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -63.1 | -22.2 | -178.9 | 29.6 | -39.4 | 0 | 0 | 0 | 113.3 | L492 P493 W496 E519 L523 Q524 | L492-P521 HydrophobicContact CD2-CG 3.6Å; P493-P521 HydrophobicContact CG-CB 4.24Å; P493-P521 HydrophobicContact CG-CG 4.29Å; W496-P521 HydrophobicContact CB-CG 4.13Å; W496-P521 HydrophobicContact CD2-CB 3.63Å; W496-P521 HydrophobicContact CD2-CG 3.54Å; W496-P521 HydrophobicContact CE3-CB 3.84Å; W496-P521 HydrophobicContact CE3-CG 3.63Å; W496-P521 HydrophobicContact CG-CB 4.19Å; W496-P521 HydrophobicContact CG-CG 3.8Å; W496-P521 HydrophobicContact CH2-CB 3.89Å; W496-P521 HydrophobicContact CZ2-CB 3.69Å; W496-P521 HydrophobicContact CZ3-CB 3.96Å; W496-P521 HydrophobicContact CZ3-CG 4.15Å; E519-P521 WeakPolarHBondContact O-CD 3.36Å; P521-L523 PolarHBondContact O-N 3.27Å; P521-Q524 PolarHBondContact O-N 3.34Å |
| 522 | R | 66.8 | Low | 62.5 | Low | 44 Ų | 44 | 67.9 Ų | 67.9 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -63.6 | -29.1 | 174.9 | -62.8 | 170.2 | -75.3 | -154.7 | -6.8 | 111.6 | L489 G490 L492 E498 D520 N525 | L489-R522 WeakPolarHBondContact O-CD 3.26Å; G490-R522 WeakPolarHBondContact O-CD 3.3Å; G490-R522 PolarHBondContact O-NH1 3.07Å; L492-R522 HydrophobicContact CD2-CG 4.25Å; E498-R522 IonicContact OE2-NH2 2.71Å; E498-R522 PolarHBondContact OE2-NH2 3.05Å; D520-R522 PolarHBondContact O-N 3.44Å; D520-R522 WeakPolarHBondContact OD1-CB 3.41Å; D520-R522 WeakPolarHBondContact OD1-CG 3.15Å; D520-R522 IonicContact OD1-CZ 2.76Å; D520-R522 PolarHBondContact OD1-N 3.31Å; D520-R522 IonicContact OD1-NE 3.22Å; D520-R522 PolarHBondContact OD1-NE 3.21Å; D520-R522 IonicContact OD1-NH2 3.86Å; D520-R522 IonicContact OD2-CZ 3.13Å; D520-R522 VanDerWaalsContact OD2-CZ 3.23Å; D520-R522 IonicContact OD2-NE 3.53Å; D520-R522 PolarHBondContact OD2-NE 3.45Å; D520-R522 IonicContact OD2-NH2 3.48Å; D520-R522 PolarHBondContact OD2-NH2 2.96Å; R522-N525 WeakPolarHBondContact O-CB 3.43Å |
| 523 | L | 59.9 | Low | 61.1 | Low | 18 Ų | 18 | 65.8 Ų | 65.8 | 9% | 0.094 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -84.2 | -12.1 | -177.9 | -58.1 | 178.4 | 0 | 0 | 0 | 113.9 | L489 D520 P521 N525 T529 L830 | L489-L523 HydrophobicContact CD1-CD2 4.04Å; L489-L523 HydrophobicContact CD2-CD2 3.99Å; D520-L523 HydrophobicContact CB-CD1 4Å; D520-L523 HydrophobicContact CB-CG 4.05Å; D520-L523 PolarHBondContact O-N 3.08Å; P521-L523 PolarHBondContact O-N 3.27Å; L523-N525 PolarHBondContact O-N 3.49Å; L523-T529 VanDerWaalsContact O-CG2 3.26Å; L523-T529 WeakPolarHBondContact O-CG2 3.37Å; L523-L830 HydrophobicContact CB-CD1 4.14Å; L523-L830 HydrophobicContact CD1-CB 4.43Å; L523-L830 HydrophobicContact CD1-CD1 4.03Å; L523-L830 HydrophobicContact CD2-CB 4.5Å |
| 524 | Q | 55.4 | Low | 59.3 | Low | 94 Ų | 94 | 66.8 Ų | 66.8 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -77.8 | -2.2 | 174.8 | -64 | -178.8 | -8.6 | 0 | 0 | 113 | Q517 P521 S526 | Q517-Q524 VanDerWaalsContact NE2-NE2 3.13Å; P521-Q524 PolarHBondContact O-N 3.34Å; Q524-S526 PolarHBondContact O-N 3Å |
| 525 | N | 55.2 | Low | 57.8 | Low | 91 Ų | 91 | 62.1 Ų | 62.1 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | trans | -68.1 | 126.3 | -175.4 | -170.1 | -9.9 | 0 | 0 | 0 | 111.4 | R522 L523 A527 I528 T529 | R522-N525 WeakPolarHBondContact O-CB 3.43Å; L523-N525 PolarHBondContact O-N 3.49Å; N525-A527 PolarHBondContact O-N 2.91Å; N525-A527 PolarHBondContact OD1-N 3.19Å; N525-I528 HydrophobicContact CB-CD1 4.33Å; N525-I528 HydrophobicContact CB-CG1 4.48Å; N525-I528 WeakPolarHBondContact O-CA 3.18Å; N525-I528 WeakPolarHBondContact O-CB 3.44Å; N525-I528 PolarHBondContact O-N 2.97Å; N525-T529 PolarHBondContact O-N 2.68Å; N525-T529 VanDerWaalsContact O-N 3.09Å | ||
| 526 | S | 45.4 | Very low | 56.8 | Low | 82 Ų | 82 | 61.2 Ų | 61.2 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.9 | -21.7 | -175.8 | -45.8 | 0 | 0 | 0 | 0 | 114 | Q524 I528 G530 | Q524-S526 PolarHBondContact O-N 3Å; S526-I528 VanDerWaalsContact C-N 3.27Å; S526-I528 PolarHBondContact O-N 2.86Å; S526-G530 CarbonylContact O-C 3.49Å; S526-G530 WeakPolarHBondContact O-CA 3.49Å; S526-G530 PolarHBondContact O-N 2.82Å; S526-G530 VanDerWaalsContact O-N 3.08Å |
| 527 | A | 43.2 | Very low | 55.5 | Low | 73 Ų | 73 | 65 Ų | 65 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.5 | -21.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N525 | N525-A527 PolarHBondContact O-N 2.91Å; N525-A527 PolarHBondContact OD1-N 3.19Å |
| 528 | I | 50.8 | Low | 54.8 | Low | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.185 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -99.4 | -39.9 | 178.1 | -61.2 | 175.6 | 0 | 0 | 0 | 110.6 | N525 S526 R837 | N525-I528 HydrophobicContact CB-CD1 4.33Å; N525-I528 HydrophobicContact CB-CG1 4.48Å; N525-I528 WeakPolarHBondContact O-CA 3.18Å; N525-I528 WeakPolarHBondContact O-CB 3.44Å; N525-I528 PolarHBondContact O-N 2.97Å; S526-I528 VanDerWaalsContact C-N 3.27Å; S526-I528 PolarHBondContact O-N 2.86Å; I528-R837 PolarHBondContact O-NH1 3.08Å; I528-R837 PolarHBondContact O-NH2 3.14Å |
| 529 | T | 47.3 | Very low | 54.5 | Low | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -82.9 | -21.7 | -175.8 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | L523 N525 D801 V802 N803 L830 | L523-T529 VanDerWaalsContact O-CG2 3.26Å; L523-T529 WeakPolarHBondContact O-CG2 3.37Å; N525-T529 PolarHBondContact O-N 2.68Å; N525-T529 VanDerWaalsContact O-N 3.09Å; T529-D801 WeakPolarHBondContact O-CA 3.13Å; T529-V802 PolarHBondContact O-N 3.26Å; T529-N803 VanDerWaalsContact CB-ND2 3.34Å; T529-N803 WeakPolarHBondContact CB-ND2 3.06Å; T529-N803 WeakPolarHBondContact CG2-ND2 3.37Å; T529-N803 PolarHBondContact OG1-ND2 3.05Å; T529-L830 HydrophobicContact CG2-CD2 4.27Å |
| 530 | G | 50.7 | Low | 54.5 | Low | 17 Ų | 17 | 63.2 Ų | 63.2 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | trans | 95.6 | 161.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S526 A532 | S526-G530 CarbonylContact O-C 3.49Å; S526-G530 WeakPolarHBondContact O-CA 3.49Å; S526-G530 PolarHBondContact O-N 2.82Å; S526-G530 VanDerWaalsContact O-N 3.08Å; G530-A532 PolarHBondContact O-N 2.66Å | ||
| 531 | P | 45.9 | Very low | 54.6 | Low | 87 Ų | 87 | 67.9 Ų | 67.9 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 118.7 | 172.6 | 30.9 | -31.6 | 0 | 0 | 0 | 110.1 | V533 | P531-V533 PolarHBondContact O-N 3.03Š|
| 532 | A | 41.8 | Very low | 54.9 | Low | 76 Ų | 76 | 69.2 Ų | 69.2 | 63% | 0.628 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 121.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G530 D801 | G530-A532 PolarHBondContact O-N 2.66Å; A532-D801 VanDerWaalsContact CA-OD2 3.3Å; A532-D801 WeakPolarHBondContact CA-OD2 3.06Å; A532-D801 WeakPolarHBondContact CB-OD2 3.3Å |
| 533 | V | 46.5 | Very low | 55.5 | Low | 69 Ų | 69 | 69.2 Ų | 69.2 | 42% | 0.418 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 122.8 | -178 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | P531 Y535 L797 | P531-V533 PolarHBondContact O-N 3.03Å; V533-Y535 PolarHBondContact O-N 3.09Å; V533-L797 HydrophobicContact CB-CD1 4.39Å; V533-L797 HydrophobicContact CG1-CD2 4.35Å; V533-L797 HydrophobicContact CG2-CD1 3.89Å; V533-L797 HydrophobicContact CG2-CD2 3.88Å |
| 534 | P | 44.4 | Very low | 56.5 | Low | 114 Ų | 114 | 73.3 Ų | 73.3 | 74% | 0.74 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 121.4 | -178.1 | 26.6 | -33.5 | 0 | 0 | 0 | 111.1 | S536 | P534-S536 PolarHBondContact O-N 3.29Å; P534-S536 VanDerWaalsContact O-N 3.16Å |
| 535 | Y | 48.3 | Very low | 58 | Low | 134 Ų | 134 | 73.7 Ų | 73.7 | 53% | 0.525 | 40% | 0.399 | S | S | . | . | trans | -54.5 | 114 | -179.1 | 170.6 | -114.6 | 0 | 0 | 0 | 112.9 | V533 R537 K540 N853 | V533-Y535 PolarHBondContact O-N 3.09Å; Y535-R537 HydrophobicContact CD1-CG 4.02Å; Y535-R537 HydrophobicContact CE1-CG 3.54Å; Y535-R537 PolarHBondContact O-N 2.86Å; Y535-K540 HydrophobicContact CE2-CD 4.13Å; Y535-K540 WeakPolarHBondContact OH-CD 3.44Å; Y535-N853 HydrophobicContact CD2-CB 3.93Å; Y535-N853 WeakPolarHBondContact CD2-OD1 3.43Å; Y535-N853 HydrophobicContact CE2-CB 4.18Å | ||
| 536 | S | 54.9 | Low | 59.7 | Low | 31 Ų | 31 | 69.3 Ų | 69.3 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | trans | -92.7 | 101.2 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | P534 D538 Y539 K540 | P534-S536 PolarHBondContact O-N 3.29Å; P534-S536 VanDerWaalsContact O-N 3.16Å; S536-D538 PolarHBondContact O-N 2.89Å; S536-Y539 PolarHBondContact O-N 2.85Å; S536-Y539 WeakPolarHBondContact OG-CB 3.35Å; S536-Y539 PolarHBondContact OG-N 3.41Å; S536-Y539 VanDerWaalsContact OG-N 3.13Å; S536-K540 PolarHBondContact O-N 2.93Å | ||
| 537 | R | 52.8 | Low | 61.8 | Low | 175 Ų | 175 | 69.4 Ų | 69.4 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.8 | -34.7 | 172.7 | -69.4 | -180 | 67.1 | 177.6 | 1.2 | 112.5 | Y535 Q541 | Y535-R537 HydrophobicContact CD1-CG 4.02Å; Y535-R537 HydrophobicContact CE1-CG 3.54Å; Y535-R537 PolarHBondContact O-N 2.86Å; R537-Q541 WeakPolarHBondContact O-CG 3.44Å; R537-Q541 PolarHBondContact O-N 3.3Å; R537-Q541 VanDerWaalsContact O-N 3.17Å |
| 538 | D | 61.1 | Low | 64 | Low | 90 Ų | 90 | 74.5 Ų | 74.5 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.5 | -50.4 | 178.6 | -177.8 | 39.8 | 0 | 0 | 0 | 111 | S536 K540 Q541 K542 | S536-D538 PolarHBondContact O-N 2.89Å; D538-K540 VanDerWaalsContact C-N 3.3Å; D538-K540 PolarHBondContact O-N 3.25Å; D538-Q541 PolarHBondContact O-N 2.99Å; D538-Q541 VanDerWaalsContact O-N 3.14Å; D538-K542 VanDerWaalsContact CG-CE 3.5Å; D538-K542 WeakPolarHBondContact O-CG 3.37Å; D538-K542 PolarHBondContact O-N 3.06Å; D538-K542 WeakPolarHBondContact OD1-CE 3.41Å; D538-K542 IonicContact OD1-NZ 3.78Å; D538-K542 WeakPolarHBondContact OD2-CE 3.47Å; D538-K542 IonicContact OD2-NZ 3.23Å; D538-K542 PolarHBondContact OD2-NZ 3.46Å |
| 539 | Y | 65.6 | Low | 65.9 | Low | 13 Ų | 13 | 78.2 Ų | 78.2 | 5% | 0.051 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 174.2 | 178.4 | -99.8 | 0 | 0 | 0 | 112.1 | S536 Q541 K542 Y543 F785 E789 M852 | S536-Y539 PolarHBondContact O-N 2.85Å; S536-Y539 WeakPolarHBondContact OG-CB 3.35Å; S536-Y539 PolarHBondContact OG-N 3.41Å; S536-Y539 VanDerWaalsContact OG-N 3.13Å; Y539-Q541 VanDerWaalsContact C-N 3.32Å; Y539-Q541 PolarHBondContact O-N 2.74Å; Y539-K542 PolarHBondContact O-N 2.8Å; Y539-Y543 WeakPolarHBondContact O-CB 3.37Å; Y539-Y543 PolarHBondContact O-N 2.96Å; Y539-F785 HydrophobicContact CD2-CD1 4.01Å; Y539-F785 AromaticContact CD2-CE1 3.99Å; Y539-F785 HydrophobicContact CD2-CE1 3.99Å; Y539-F785 AromaticContact CE2-CD1 3.85Å; Y539-F785 HydrophobicContact CE2-CD1 3.85Å; Y539-F785 AromaticContact CE2-CE1 3.7Å; Y539-F785 HydrophobicContact CE2-CE1 3.7Å; Y539-E789 HydrophobicContact CD2-CB 3.82Å; Y539-E789 HydrophobicContact CD2-CG 3.77Å; Y539-E789 HydrophobicContact CE2-CB 3.98Å; Y539-E789 HydrophobicContact CE2-CG 4.41Å; Y539-M852 HydrophobicContact CD1-CB 4.08Å; Y539-M852 HydrophobicContact CD1-CG 4.09Å; Y539-M852 HydrophobicContact CD1-SD 3.29Å; Y539-M852 WeakPolarHBondContact CD1-SD 3.27Å; Y539-M852 HydrophobicContact CD2-SD 3.63Å; Y539-M852 HydrophobicContact CE1-CB 3.73Å; Y539-M852 HydrophobicContact CE1-CG 4.2Å; Y539-M852 HydrophobicContact CE1-SD 3.62Å; Y539-M852 HydrophobicContact CE2-SD 3.93Å; Y539-M852 HydrophobicContact CG-CE 4.18Å; Y539-M852 HydrophobicContact CG-SD 3.28Å |
| 540 | K | 66.6 | Low | 67.8 | Low | 48 Ų | 48 | 79.1 Ų | 79.1 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 177.5 | -174.2 | 166.5 | 175.3 | 161.1 | 0 | 111.8 | Y535 S536 D538 Y543 E544 E857 | Y535-K540 HydrophobicContact CE2-CD 4.13Å; Y535-K540 WeakPolarHBondContact OH-CD 3.44Å; S536-K540 PolarHBondContact O-N 2.93Å; D538-K540 VanDerWaalsContact C-N 3.3Å; D538-K540 PolarHBondContact O-N 3.25Å; K540-Y543 PolarHBondContact O-N 2.91Å; K540-E544 WeakPolarHBondContact CE-OE1 3.41Å; K540-E544 HydrophobicContact CG-CG 4.37Å; K540-E544 IonicContact NZ-OE1 2.7Å; K540-E544 WeakPolarHBondContact O-CB 3.39Å; K540-E544 WeakPolarHBondContact O-CG 3.28Å; K540-E544 PolarHBondContact O-N 3.2Å; K540-E857 WeakPolarHBondContact CE-OE1 3.31Å; K540-E857 IonicContact NZ-OE1 3.47Å; K540-E857 PolarHBondContact NZ-OE1 2.83Å |
| 541 | Q | 74.1 | Confident | 69.3 | Low | 120 Ų | 120 | 84.5 Ų | 84.5 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 177.2 | -71.7 | 176.6 | 12.6 | 0 | 0 | 112.3 | R537 D538 Y539 F545 | R537-Q541 WeakPolarHBondContact O-CG 3.44Å; R537-Q541 PolarHBondContact O-N 3.3Å; R537-Q541 VanDerWaalsContact O-N 3.17Å; D538-Q541 PolarHBondContact O-N 2.99Å; D538-Q541 VanDerWaalsContact O-N 3.14Å; Y539-Q541 VanDerWaalsContact C-N 3.32Å; Y539-Q541 PolarHBondContact O-N 2.74Å; Q541-F545 VanDerWaalsContact O-CB 3.3Å; Q541-F545 WeakPolarHBondContact O-CB 3.2Å; Q541-F545 PolarHBondContact O-N 3.44Å |
| 542 | K | 76.9 | Confident | 70.8 | Confident | 39 Ų | 39 | 84.4 Ų | 84.4 | 17% | 0.17 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60 | -45 | 172.8 | -66.5 | 168.1 | -171.8 | 160.7 | 0 | 111.6 | D538 Y539 F545 F546 I784 F785 E789 | D538-K542 VanDerWaalsContact CG-CE 3.5Å; D538-K542 WeakPolarHBondContact O-CG 3.37Å; D538-K542 PolarHBondContact O-N 3.06Å; D538-K542 WeakPolarHBondContact OD1-CE 3.41Å; D538-K542 IonicContact OD1-NZ 3.78Å; D538-K542 WeakPolarHBondContact OD2-CE 3.47Å; D538-K542 IonicContact OD2-NZ 3.23Å; D538-K542 PolarHBondContact OD2-NZ 3.46Å; Y539-K542 PolarHBondContact O-N 2.8Å; K542-F545 PolarHBondContact O-N 3.1Å; K542-F546 WeakPolarHBondContact O-CB 3.42Å; K542-F546 PolarHBondContact O-N 3.38Å; K542-I784 HydrophobicContact CB-CD1 4.04Å; K542-I784 HydrophobicContact CB-CG1 4.28Å; K542-I784 WeakPolarHBondContact CD-O 3.1Å; K542-I784 WeakPolarHBondContact O-CD1 3.39Å; K542-F785 HydrophobicContact CB-CD1 3.97Å; K542-F785 HydrophobicContact CB-CE1 3.49Å; K542-F785 VanDerWaalsContact CB-CE1 3.49Å; K542-F785 HydrophobicContact CB-CZ 4.14Å; K542-F785 HydrophobicContact CD-CD1 4.09Å; K542-F785 HydrophobicContact CD-CE1 4.44Å; K542-E789 WeakPolarHBondContact CD-OE1 3.38Å; K542-E789 IonicContact NZ-OE1 3.2Å; K542-E789 PolarHBondContact NZ-OE1 3.43Å; K542-E789 IonicContact NZ-OE2 3.9Å; K542-E789 PolarHBondContact NZ-OE2 2.89Å |
| 543 | Y | 78.3 | Confident | 72.7 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 17% | 0.173 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 179.3 | 180 | -106.1 | 0 | 0 | 0 | 112.5 | Y539 K540 F546 R547 L793 | Y539-Y543 WeakPolarHBondContact O-CB 3.37Å; Y539-Y543 PolarHBondContact O-N 2.96Å; K540-Y543 PolarHBondContact O-N 2.91Å; Y543-F546 WeakPolarHBondContact O-CB 3.37Å; Y543-F546 PolarHBondContact O-N 2.82Å; Y543-R547 HydrophobicContact CD1-CG 4.18Å; Y543-R547 HydrophobicContact CD2-CG 4.13Å; Y543-R547 HydrophobicContact CE1-CG 3.81Å; Y543-R547 HydrophobicContact CE2-CG 3.73Å; Y543-R547 HydrophobicContact CG-CG 4.34Å; Y543-R547 WeakPolarHBondContact O-CB 3.35Å; Y543-R547 WeakPolarHBondContact O-CG 3.33Å; Y543-R547 PolarHBondContact O-N 3.21Å; Y543-L793 HydrophobicContact CD2-CD1 3.83Å; Y543-L793 HydrophobicContact CE2-CD1 3.87Å |
| 544 | E | 80.8 | Confident | 74 | Confident | 104 Ų | 104 | 84.5 Ų | 84.5 | 49% | 0.486 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 174.4 | -75 | 175.3 | -177.9 | 0 | 0 | 111.7 | K540 K548 | K540-E544 WeakPolarHBondContact CE-OE1 3.41Å; K540-E544 HydrophobicContact CG-CG 4.37Å; K540-E544 IonicContact NZ-OE1 2.7Å; K540-E544 WeakPolarHBondContact O-CB 3.39Å; K540-E544 WeakPolarHBondContact O-CG 3.28Å; K540-E544 PolarHBondContact O-N 3.2Å; E544-K548 WeakPolarHBondContact O-CB 3.42Å; E544-K548 PolarHBondContact O-N 3.02Å |
| 545 | F | 88.3 | Confident | 75.7 | Confident | 101 Ų | 101 | 84.5 Ų | 84.5 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 173.1 | 175.1 | -91.3 | 0 | 0 | 0 | 111.8 | Q541 K542 K548 K549 L781 I784 | Q541-F545 VanDerWaalsContact O-CB 3.3Å; Q541-F545 WeakPolarHBondContact O-CB 3.2Å; Q541-F545 PolarHBondContact O-N 3.44Å; K542-F545 PolarHBondContact O-N 3.1Å; F545-K548 PolarHBondContact O-N 2.98Å; F545-K549 HydrophobicContact CD1-CG 4.42Å; F545-K549 HydrophobicContact CE1-CG 4.1Å; F545-K549 HydrophobicContact CE2-CG 4.34Å; F545-K549 HydrophobicContact CZ-CG 4.07Å; F545-K549 WeakPolarHBondContact O-CB 3.33Å; F545-K549 VanDerWaalsContact O-CG 3.29Å; F545-K549 WeakPolarHBondContact O-CG 3.28Å; F545-K549 PolarHBondContact O-N 3.4Å; F545-L781 HydrophobicContact CE1-CD2 4.2Å; F545-I784 HydrophobicContact CD1-CD1 3.86Å; F545-I784 HydrophobicContact CE1-CD1 4.42Å |
| 546 | F | 90.9 | Very high | 77.5 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.2 | -54.4 | 176.8 | 177.2 | -104.3 | 0 | 0 | 0 | 111.5 | K542 Y543 K548 K549 L550 V663 I777 L781 I782 I784 F785 L793 | K542-F546 WeakPolarHBondContact O-CB 3.42Å; K542-F546 PolarHBondContact O-N 3.38Å; Y543-F546 WeakPolarHBondContact O-CB 3.37Å; Y543-F546 PolarHBondContact O-N 2.82Å; F546-K548 VanDerWaalsContact C-N 3.32Å; F546-K548 PolarHBondContact O-N 3.14Å; F546-K549 CarbonylContact O-C 3.57Å; F546-K549 PolarHBondContact O-N 3.23Å; F546-L550 HydrophobicContact CD1-CD1 4.02Å; F546-L550 HydrophobicContact CD1-CG 4.45Å; F546-L550 HydrophobicContact CE1-CD1 3.42Å; F546-L550 VanDerWaalsContact CE1-CD1 3.42Å; F546-L550 HydrophobicContact CE1-CG 4.12Å; F546-L550 HydrophobicContact CE2-CD2 4.43Å; F546-L550 HydrophobicContact CE2-CG 4.47Å; F546-L550 HydrophobicContact CZ-CD1 3.71Å; F546-L550 HydrophobicContact CZ-CD2 4.23Å; F546-L550 HydrophobicContact CZ-CG 4.12Å; F546-L550 PolarHBondContact O-N 3.37Å; F546-V663 HydrophobicContact CE1-CG1 3.69Å; F546-V663 HydrophobicContact CZ-CG1 3.51Å; F546-I777 HydrophobicContact CE2-CG2 4.05Å; F546-I777 HydrophobicContact CZ-CG2 4.04Å; F546-L781 HydrophobicContact CD2-CB 3.77Å; F546-L781 VanDerWaalsContact CD2-O 3.29Å; F546-L781 WeakPolarHBondContact CD2-O 3.17Å; F546-L781 HydrophobicContact CE2-CB 3.87Å; F546-I782 HydrophobicContact CE2-CD1 3.75Å; F546-I782 HydrophobicContact CE2-CG1 4.14Å; F546-I782 HydrophobicContact CZ-CD1 3.94Å; F546-I784 HydrophobicContact CB-CD1 4.3Å; F546-F785 HydrophobicContact CB-CE2 4.1Å; F546-F785 HydrophobicContact CB-CZ 3.85Å; F546-F785 AromaticContact CD2-CE2 3.8Å; F546-F785 HydrophobicContact CD2-CE2 3.8Å; F546-F785 HydrophobicContact CD2-CZ 4.37Å; F546-F785 HydrophobicContact CE2-CE2 4.36Å; F546-F785 AromaticContact CG-CE2 3.92Å; F546-F785 HydrophobicContact CG-CE2 3.92Å; F546-F785 HydrophobicContact CG-CZ 4.03Å; F546-L793 HydrophobicContact CD1-CD1 4.33Å; F546-L793 HydrophobicContact CE1-CD1 4.1Å; F546-L793 HydrophobicContact CE1-CD2 4.17Å; F546-L793 HydrophobicContact CZ-CD2 4.18Å |
| 547 | R | 88.1 | Confident | 78.9 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 32% | 0.317 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 178.3 | -66.1 | -69.4 | -71.5 | 163.2 | -1.6 | 111.8 | Y543 K549 L550 F664 | Y543-R547 HydrophobicContact CD1-CG 4.18Å; Y543-R547 HydrophobicContact CD2-CG 4.13Å; Y543-R547 HydrophobicContact CE1-CG 3.81Å; Y543-R547 HydrophobicContact CE2-CG 3.73Å; Y543-R547 HydrophobicContact CG-CG 4.34Å; Y543-R547 WeakPolarHBondContact O-CB 3.35Å; Y543-R547 WeakPolarHBondContact O-CG 3.33Å; Y543-R547 PolarHBondContact O-N 3.21Å; R547-K549 VanDerWaalsContact C-N 3.25Å; R547-K549 PolarHBondContact O-N 3.39Å; R547-L550 PolarHBondContact O-N 2.93Å; R547-F664 PolarHBondContact NH1-O 2.86Å |
| 548 | K | 89.7 | Confident | 80.3 | Confident | 179 Ų | 179 | 78.4 Ų | 78.4 | 78% | 0.778 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.4 | -21.2 | 175.2 | -172.7 | 169.8 | -177.2 | 172.6 | 0 | 113.6 | E544 F545 F546 | E544-K548 WeakPolarHBondContact O-CB 3.42Å; E544-K548 PolarHBondContact O-N 3.02Å; F545-K548 PolarHBondContact O-N 2.98Å; F546-K548 VanDerWaalsContact C-N 3.32Å; F546-K548 PolarHBondContact O-N 3.14Å |
| 549 | K | 90.8 | Very high | 81.6 | Confident | 115 Ų | 115 | 80.4 Ų | 80.4 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -96.1 | -16.4 | 176.2 | -69.4 | -71.2 | -174.8 | 175.8 | 0 | 113.9 | F545 F546 R547 I551 L781 | F545-K549 HydrophobicContact CD1-CG 4.42Å; F545-K549 HydrophobicContact CE1-CG 4.1Å; F545-K549 HydrophobicContact CE2-CG 4.34Å; F545-K549 HydrophobicContact CZ-CG 4.07Å; F545-K549 WeakPolarHBondContact O-CB 3.33Å; F545-K549 VanDerWaalsContact O-CG 3.29Å; F545-K549 WeakPolarHBondContact O-CG 3.28Å; F545-K549 PolarHBondContact O-N 3.4Å; F546-K549 CarbonylContact O-C 3.57Å; F546-K549 PolarHBondContact O-N 3.23Å; R547-K549 VanDerWaalsContact C-N 3.25Å; R547-K549 PolarHBondContact O-N 3.39Å; K549-I551 PolarHBondContact O-N 3.27Å; K549-L781 HydrophobicContact CB-CD1 3.66Å; K549-L781 HydrophobicContact CB-CD2 3.57Å; K549-L781 HydrophobicContact CB-CG 4.28Å; K549-L781 HydrophobicContact CG-CD2 3.93Å |
| 550 | L | 87.9 | Confident | 82.7 | Confident | 21 Ų | 21 | 80.4 Ų | 80.4 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | trans | -75.3 | 70.8 | 170.8 | -72.1 | -174.7 | 0 | 0 | 0 | 111.8 | F546 R547 K552 F664 I777 L781 | F546-L550 HydrophobicContact CD1-CD1 4.02Å; F546-L550 HydrophobicContact CD1-CG 4.45Å; F546-L550 HydrophobicContact CE1-CD1 3.42Å; F546-L550 VanDerWaalsContact CE1-CD1 3.42Å; F546-L550 HydrophobicContact CE1-CG 4.12Å; F546-L550 HydrophobicContact CE2-CD2 4.43Å; F546-L550 HydrophobicContact CE2-CG 4.47Å; F546-L550 HydrophobicContact CZ-CD1 3.71Å; F546-L550 HydrophobicContact CZ-CD2 4.23Å; F546-L550 HydrophobicContact CZ-CG 4.12Å; F546-L550 PolarHBondContact O-N 3.37Å; R547-L550 PolarHBondContact O-N 2.93Å; L550-K552 PolarHBondContact O-N 3.14Å; L550-F664 HydrophobicContact CB-CD2 4.46Å; L550-F664 HydrophobicContact CB-CE2 4.21Å; L550-F664 HydrophobicContact CD1-CD2 4.26Å; L550-F664 HydrophobicContact CD2-CD2 4.15Å; L550-F664 HydrophobicContact CD2-CE2 4.43Å; L550-I777 HydrophobicContact CD1-CD1 4.42Å; L550-I777 HydrophobicContact CD2-CD1 4.09Å; L550-L781 HydrophobicContact CD2-CD1 4.23Å | ||
| 551 | I | 81.1 | Confident | 83.8 | Confident | 130 Ų | 130 | 81 Ų | 81 | 67% | 0.667 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 124.5 | 179.1 | -60.8 | 174.8 | 0 | 0 | 0 | 110.1 | K549 P553 | K549-I551 PolarHBondContact O-N 3.27Å; I551-P553 WeakPolarHBondContact O-CD 3.4Å |
| 552 | K | 78 | Confident | 84.6 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 125.3 | 166.8 | -170.4 | -158.3 | 173.6 | -159.5 | 0 | 108.8 | L550 I556 P557 | L550-K552 PolarHBondContact O-N 3.14Å; K552-I556 HydrophobicContact CD-CD1 4.44Å; K552-I556 HydrophobicContact CG-CD1 3.85Å; K552-I556 HydrophobicContact CG-CG1 4.27Å; K552-P557 PolarHBondContact NZ-O 3.48Å |
| 553 | P | 81.5 | Confident | 85.2 | Confident | 36 Ų | 36 | 77.9 Ų | 77.9 | 23% | 0.234 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.9 | 171.9 | -23.4 | 34 | 0 | 0 | 0 | 111.8 | I551 D555 I556 D584 | I551-P553 WeakPolarHBondContact O-CD 3.4Å; P553-D555 VanDerWaalsContact C-N 3.34Å; P553-I556 HydrophobicContact CB-CG1 4.31Å; P553-I556 HydrophobicContact CB-CG2 4.34Å; P553-I556 WeakPolarHBondContact O-CG1 3.29Å; P553-D584 HydrophobicContact CG-CB 4.38Å |
| 554 | A | 73.3 | Confident | 85.8 | Confident | 111 Ų | 111 | 75.9 Ų | 75.9 | 92% | 0.917 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I556 | A554-I556 VanDerWaalsContact C-N 3.27Å; A554-I556 PolarHBondContact O-N 3.17Å |
| 555 | D | 81.4 | Confident | 86.2 | Confident | 114 Ų | 114 | 76.3 Ų | 76.3 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 22.2 | -174.6 | 179.8 | 56.5 | 0 | 0 | 0 | 114.2 | P553 R582 | P553-D555 VanDerWaalsContact C-N 3.34Å; D555-R582 IonicContact OD2-CZ 3.74Å; D555-R582 IonicContact OD2-NH1 2.99Å; D555-R582 PolarHBondContact OD2-NH1 3.16Å; D555-R582 IonicContact OD2-NH2 2.93Å; D555-R582 PolarHBondContact OD2-NH2 3.02Å |
| 556 | I | 86.4 | Confident | 86 | Confident | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -120.7 | 144.8 | 176 | 61.4 | 163.7 | 0 | 0 | 0 | 111.9 | K552 P553 A554 D584 L585 K587 A588 | K552-I556 HydrophobicContact CD-CD1 4.44Å; K552-I556 HydrophobicContact CG-CD1 3.85Å; K552-I556 HydrophobicContact CG-CG1 4.27Å; P553-I556 HydrophobicContact CB-CG1 4.31Å; P553-I556 HydrophobicContact CB-CG2 4.34Å; P553-I556 WeakPolarHBondContact O-CG1 3.29Å; A554-I556 VanDerWaalsContact C-N 3.27Å; A554-I556 PolarHBondContact O-N 3.17Å; I556-D584 WeakPolarHBondContact CD1-O 3.26Å; I556-D584 HydrophobicContact CG2-CB 3.73Å; I556-L585 HydrophobicContact CG2-CD2 4.28Å; I556-K587 HydrophobicContact CD1-CB 3.81Å; I556-A588 HydrophobicContact CD1-CB 4.35Å |
| 557 | P | 83.8 | Confident | 85.8 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 42% | 0.422 | 41% | 0.406 | S | S | . | . | trans | -58.3 | 160.4 | -172.7 | 23.2 | -35.2 | 0 | 0 | 0 | 113.2 | K552 R559 L585 A588 | K552-P557 PolarHBondContact NZ-O 3.48Å; P557-R559 VanDerWaalsContact C-N 3.3Å; P557-R559 PolarHBondContact O-N 2.67Å; P557-L585 HydrophobicContact CG-CD2 4.16Å; P557-A588 HydrophobicContact CG-CB 4.45Å; P557-A588 VanDerWaalsContact O-CB 3.22Å; P557-A588 WeakPolarHBondContact O-CB 3.4Å | ||
| 558 | N | 82.6 | Confident | 85.8 | Confident | 139 Ų | 139 | 79 Ų | 79 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -68.1 | -28.1 | 179.7 | -78.6 | -18.1 | 0 | 0 | 0 | 113.3 | R589 | N558-R589 WeakPolarHBondContact O-CB 3.41Š|
| 559 | R | 86.6 | Confident | 85.9 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 50% | 0.498 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.7 | 175.7 | 70.5 | -175 | -169.4 | -150.1 | 5.1 | 113.1 | P557 E561 R589 W591 | P557-R559 VanDerWaalsContact C-N 3.3Å; P557-R559 PolarHBondContact O-N 2.67Å; R559-E561 HydrophobicContact CG-CG 4.38Å; R559-E561 IonicContact CZ-OE1 3.95Å; R559-E561 IonicContact NE-OE1 2.86Å; R559-E561 PolarHBondContact NE-OE1 3.13Å; R559-E561 IonicContact NH2-OE1 3.37Å; R559-E561 PolarHBondContact NH2-OE1 3.37Å; R559-R589 CarbonylContact C-O 3.59Å; R559-R589 VanDerWaalsContact CA-O 3.24Å; R559-R589 WeakPolarHBondContact CA-O 3.29Å; R559-W591 HydrophobicContact CB-CB 4.27Å |
| 560 | F | 90.1 | Very high | 85.9 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.2 | 168.2 | -178.8 | -90.3 | 0 | 0 | 0 | 109.4 | L562 R576 V580 L585 L586 A588 R589 L590 W591 | F560-L562 HydrophobicContact CD1-CG 4.23Å; F560-L562 HydrophobicContact CE1-CD2 3.82Å; F560-L562 HydrophobicContact CE1-CG 4.01Å; F560-R576 HydrophobicContact CZ-CG 4.5Å; F560-V580 HydrophobicContact CE2-CG2 3.75Å; F560-V580 HydrophobicContact CZ-CG2 3.73Å; F560-L585 HydrophobicContact CD2-CB 4.47Å; F560-L585 WeakPolarHBondContact CD2-O 3.24Å; F560-L586 HydrophobicContact CE1-CD2 4.04Å; F560-L586 HydrophobicContact CE2-CD2 4.06Å; F560-L586 HydrophobicContact CZ-CD2 3.75Å; F560-A588 HydrophobicContact CB-CB 4.15Å; F560-R589 PolarHBondContact N-O 2.75Å; F560-L590 HydrophobicContact CD1-CD1 4.03Å; F560-W591 PolarHBondContact O-N 3.18Å |
| 561 | E | 89.3 | Confident | 86 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.5 | -175.4 | -69.6 | 175.6 | -143.8 | 0 | 0 | 113 | R559 K563 R576 W591 | R559-E561 HydrophobicContact CG-CG 4.38Å; R559-E561 IonicContact CZ-OE1 3.95Å; R559-E561 IonicContact NE-OE1 2.86Å; R559-E561 PolarHBondContact NE-OE1 3.13Å; R559-E561 IonicContact NH2-OE1 3.37Å; R559-E561 PolarHBondContact NH2-OE1 3.37Å; E561-K563 VanDerWaalsContact OE2-CE 3.31Å; E561-K563 WeakPolarHBondContact OE2-CE 3.2Å; E561-K563 IonicContact OE2-NZ 3.02Å; E561-R576 PolarHBondContact O-NE 3.16Å; E561-R576 PolarHBondContact O-NH2 2.8Å; E561-W591 WeakPolarHBondContact CA-O 3.24Å; E561-W591 HydrophobicContact CG-CB 4.49Å |
| 562 | L | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 102.5 | 169.8 | -76.2 | 178.3 | 0 | 0 | 0 | 109.5 | F560 L564 R576 I577 L590 W591 V592 E593 W609 | F560-L562 HydrophobicContact CD1-CG 4.23Å; F560-L562 HydrophobicContact CE1-CD2 3.82Å; F560-L562 HydrophobicContact CE1-CG 4.01Å; L562-L564 HydrophobicContact CB-CD1 4.18Å; L562-L564 HydrophobicContact CB-CD2 4.44Å; L562-L564 HydrophobicContact CB-CG 4.14Å; L562-L564 HydrophobicContact CD2-CD2 4.44Å; L562-R576 HydrophobicContact CD2-CB 4.1Å; L562-R576 HydrophobicContact CD2-CG 3.51Å; L562-I577 HydrophobicContact CD2-CG1 4.31Å; L562-L590 HydrophobicContact CD1-CD1 3.72Å; L562-L590 HydrophobicContact CD1-CD2 4.19Å; L562-L590 HydrophobicContact CD1-CG 4.14Å; L562-L590 HydrophobicContact CG-CD1 4.27Å; L562-W591 PolarHBondContact N-O 2.94Å; L562-V592 HydrophobicContact CB-CG2 4.31Å; L562-V592 HydrophobicContact CD1-CG2 4.21Å; L562-E593 PolarHBondContact O-N 2.69Å; L562-W609 HydrophobicContact CD1-CD2 4.03Å; L562-W609 HydrophobicContact CD1-CE3 4.47Å; L562-W609 HydrophobicContact CD1-CH2 4.26Å; L562-W609 HydrophobicContact CD1-CZ2 3.8Å |
| 563 | K | 89.6 | Confident | 87.4 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 40% | 0.404 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 97.2 | 176.4 | -63.2 | -179.5 | -178.9 | -84.7 | 0 | 110.3 | E561 E593 | E561-K563 VanDerWaalsContact OE2-CE 3.31Å; E561-K563 WeakPolarHBondContact OE2-CE 3.2Å; E561-K563 IonicContact OE2-NZ 3.02Å; K563-E593 CarbonylContact C-O 3.56Å; K563-E593 WeakPolarHBondContact CA-O 3.34Å; K563-E593 WeakPolarHBondContact CD-OE1 3.29Å; K563-E593 HydrophobicContact CG-CB 4.2Å; K563-E593 HydrophobicContact CG-CG 4.49Å; K563-E593 IonicContact NZ-OE1 2.77Å; K563-E593 PolarHBondContact NZ-OE1 3.26Å; K563-E593 IonicContact NZ-OE2 3.87Å; K563-E593 PolarHBondContact NZ-OE2 3.36Å |
| 564 | L | 91.2 | Very high | 88 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 170 | -164.3 | -54.7 | 176.1 | 0 | 0 | 0 | 112 | L562 V569 D572 V592 E593 F594 K595 W609 | L562-L564 HydrophobicContact CB-CD1 4.18Å; L562-L564 HydrophobicContact CB-CD2 4.44Å; L562-L564 HydrophobicContact CB-CG 4.14Å; L562-L564 HydrophobicContact CD2-CD2 4.44Å; L564-V569 HydrophobicContact CD1-CG2 4.19Å; L564-D572 HydrophobicContact CD2-CB 3.62Å; L564-V592 HydrophobicContact CD1-CG1 4.32Å; L564-E593 PolarHBondContact N-O 3.1Å; L564-F594 HydrophobicContact CB-CD1 4.17Å; L564-F594 HydrophobicContact CB-CE1 4.26Å; L564-F594 HydrophobicContact CD1-CE1 4.43Å; L564-K595 WeakPolarHBondContact O-CB 3.35Å; L564-K595 WeakPolarHBondContact O-CG 3.27Å; L564-K595 PolarHBondContact O-N 2.99Å; L564-W609 HydrophobicContact CD1-CG 4.41Å |
| 565 | K | 89.1 | Confident | 88.9 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | trans | -109.9 | 139.8 | 158.7 | -58.1 | 174.9 | -178.2 | 176.6 | 0 | 109.1 | N567 S568 V569 D572 K595 | K565-N567 VanDerWaalsContact C-N 3.28Å; K565-N567 PolarHBondContact O-N 2.87Å; K565-S568 CarbonylContact O-C 3.58Å; K565-S568 PolarHBondContact O-N 3.45Å; K565-S568 VanDerWaalsContact O-N 3.15Å; K565-V569 WeakPolarHBondContact O-CA 3.42Å; K565-V569 PolarHBondContact O-N 3.02Å; K565-V569 VanDerWaalsContact O-N 3.13Å; K565-D572 PolarHBondContact N-OD2 3.28Å; K565-K595 HydrophobicContact CG-CB 4.49Å; K565-K595 HydrophobicContact CG-CD 4.34Å | ||
| 566 | R | 85.4 | Confident | 89.5 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -54.7 | -43.8 | 176 | -170.9 | 168.6 | -71.3 | -86.3 | -4.7 | 111.8 | S568 F594 E597 E608 | R566-S568 VanDerWaalsContact C-N 3.27Å; R566-S568 PolarHBondContact O-N 2.9Å; R566-F594 HydrophobicContact CB-CD1 4.39Å; R566-E597 IonicContact CZ-OE1 3.92Å; R566-E597 IonicContact CZ-OE2 3.61Å; R566-E597 IonicContact NE-OE1 2.75Å; R566-E597 PolarHBondContact NE-OE1 3.16Å; R566-E597 IonicContact NE-OE2 2.78Å; R566-E597 PolarHBondContact NE-OE2 3.35Å; R566-E597 IonicContact NH2-OE1 3.13Å; R566-E597 IonicContact NH2-OE2 2.63Å; R566-E597 PolarHBondContact NH2-OE2 3.46Å; R566-E608 IonicContact CZ-OE1 3.28Å; R566-E608 IonicContact CZ-OE2 2.66Å; R566-E608 VanDerWaalsContact NH1-CD 3.31Å; R566-E608 IonicContact NH1-OE1 3.86Å; R566-E608 PolarHBondContact NH1-OE1 3.05Å; R566-E608 IonicContact NH1-OE2 3.89Å; R566-E608 PolarHBondContact NH1-OE2 3.49Å; R566-E608 IonicContact NH2-OE1 2.75Å; R566-E608 PolarHBondContact NH2-OE1 3.39Å; R566-E608 IonicContact NH2-OE2 3.03Å; R566-E608 PolarHBondContact NH2-OE2 3.23Å |
| 567 | N | 86 | Confident | 89.9 | Confident | 162 Ų | 162 | 60.2 Ų | 60.2 | 87% | 0.866 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -73.6 | -5.7 | -178.6 | -46.9 | 47 | 0 | 0 | 0 | 115.4 | K565 | K565-N567 VanDerWaalsContact C-N 3.28Å; K565-N567 PolarHBondContact O-N 2.87Å |
| 568 | S | 88.5 | Confident | 90.3 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -144.5 | 40.9 | 177.2 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | K565 R566 L570 E571 D572 | K565-S568 CarbonylContact O-C 3.58Å; K565-S568 PolarHBondContact O-N 3.45Å; K565-S568 VanDerWaalsContact O-N 3.15Å; R566-S568 VanDerWaalsContact C-N 3.27Å; R566-S568 PolarHBondContact O-N 2.9Å; S568-L570 VanDerWaalsContact C-N 3.3Å; S568-L570 PolarHBondContact O-N 2.78Å; S568-E571 VanDerWaalsContact CA-OE2 3.3Å; S568-E571 WeakPolarHBondContact CA-OE2 3.35Å; S568-E571 WeakPolarHBondContact CB-OE2 3.49Å; S568-D572 WeakPolarHBondContact O-CB 3.29Å; S568-D572 PolarHBondContact O-N 3.49Å; S568-D572 VanDerWaalsContact O-N 3.08Å; S568-D572 PolarHBondContact OG-OD2 3.19Å |
| 569 | V | 91.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -37.5 | -173.5 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | L564 K565 S573 F594 L612 M613 E616 | L564-V569 HydrophobicContact CD1-CG2 4.19Å; K565-V569 WeakPolarHBondContact O-CA 3.42Å; K565-V569 PolarHBondContact O-N 3.02Å; K565-V569 VanDerWaalsContact O-N 3.13Å; V569-S573 WeakPolarHBondContact O-CB 3.46Å; V569-S573 PolarHBondContact O-N 3.4Å; V569-S573 VanDerWaalsContact O-N 3.14Å; V569-S573 PolarHBondContact O-OG 2.9Å; V569-F594 HydrophobicContact CG2-CE1 4.27Å; V569-L612 HydrophobicContact CG1-CB 4.41Å; V569-M613 HydrophobicContact CG2-SD 4.06Å; V569-E616 HydrophobicContact CG1-CG 4.06Å |
| 570 | L | 91.2 | Very high | 91.2 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -53.9 | 178.3 | 177.2 | 58.4 | 0 | 0 | 0 | 111.6 | S568 S573 Y574 M613 E616 M617 Y622 F654 | S568-L570 VanDerWaalsContact C-N 3.3Å; S568-L570 PolarHBondContact O-N 2.78Å; L570-S573 PolarHBondContact O-N 2.95Å; L570-Y574 VanDerWaalsContact O-CB 3.24Å; L570-Y574 WeakPolarHBondContact O-CB 3.41Å; L570-Y574 PolarHBondContact O-N 3.23Å; L570-M613 HydrophobicContact CD1-CE 3.68Å; L570-E616 HydrophobicContact CB-CB 4.03Å; L570-E616 HydrophobicContact CB-CG 4.42Å; L570-E616 HydrophobicContact CD1-CB 4.44Å; L570-E616 HydrophobicContact CD2-CB 4.24Å; L570-E616 HydrophobicContact CG-CB 4.46Å; L570-M617 HydrophobicContact CD1-CG 4.18Å; L570-Y622 HydrophobicContact CD2-CD1 4.47Å; L570-Y622 HydrophobicContact CD2-CD2 4.13Å; L570-Y622 HydrophobicContact CD2-CE1 3.99Å; L570-Y622 HydrophobicContact CD2-CE2 3.62Å; L570-F654 HydrophobicContact CD1-CE1 3.95Å |
| 571 | E | 90.8 | Very high | 91.1 | Very high | 70 Ų | 70 | 59.6 Ų | 59.6 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -77.3 | -34.7 | -171.3 | -47.3 | 96 | 131.5 | 0 | 0 | 112.6 | S568 R575 | S568-E571 VanDerWaalsContact CA-OE2 3.3Å; S568-E571 WeakPolarHBondContact CA-OE2 3.35Å; S568-E571 WeakPolarHBondContact CB-OE2 3.49Å; E571-R575 VanDerWaalsContact O-CG 3.25Å; E571-R575 WeakPolarHBondContact O-CG 2.87Å; E571-R575 PolarHBondContact O-N 2.83Å; E571-R575 PolarHBondContact O-NH1 3.12Å |
| 572 | D | 93.2 | Very high | 91.3 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 173.5 | -73.3 | -18.1 | 0 | 0 | 0 | 110.8 | L564 K565 S568 R575 R576 | L564-D572 HydrophobicContact CD2-CB 3.62Å; K565-D572 PolarHBondContact N-OD2 3.28Å; S568-D572 WeakPolarHBondContact O-CB 3.29Å; S568-D572 PolarHBondContact O-N 3.49Å; S568-D572 VanDerWaalsContact O-N 3.08Å; S568-D572 PolarHBondContact OG-OD2 3.19Å; D572-R575 IonicContact OD1-NH1 2.75Å; D572-R575 PolarHBondContact OD1-NH1 3.04Å; D572-R576 WeakPolarHBondContact O-CB 3.37Å; D572-R576 PolarHBondContact O-N 3.21Å; D572-R576 VanDerWaalsContact O-N 3.11Å |
| 573 | S | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | V569 L570 R576 I577 W609 M613 | V569-S573 WeakPolarHBondContact O-CB 3.46Å; V569-S573 PolarHBondContact O-N 3.4Å; V569-S573 VanDerWaalsContact O-N 3.14Å; V569-S573 PolarHBondContact O-OG 2.9Å; L570-S573 PolarHBondContact O-N 2.95Å; S573-R576 PolarHBondContact O-N 3.33Å; S573-I577 WeakPolarHBondContact O-CB 3.39Å; S573-I577 PolarHBondContact O-N 3.31Å; S573-W609 PolarHBondContact OG-NE1 3.26Å; S573-M613 VanDerWaalsContact CB-SD 3.6Å; S573-M613 PolarHBondContact OG-SD 3.39Å |
| 574 | Y | 94.3 | Very high | 91.4 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 13% | 0.129 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54 | -54.9 | 176.3 | 169.1 | -93.3 | 0 | 0 | 0 | 111.2 | L570 R576 L578 T650 Y651 F654 | L570-Y574 VanDerWaalsContact O-CB 3.24Å; L570-Y574 WeakPolarHBondContact O-CB 3.41Å; L570-Y574 PolarHBondContact O-N 3.23Å; Y574-R576 VanDerWaalsContact C-N 3.32Å; Y574-R576 PolarHBondContact O-N 3.33Å; Y574-L578 HydrophobicContact CE1-CD2 4.31Å; Y574-L578 HydrophobicContact CE2-CD2 3.81Å; Y574-L578 WeakPolarHBondContact O-CB 3.38Å; Y574-L578 PolarHBondContact O-N 2.91Å; Y574-T650 PolarHBondContact OH-OG1 3.04Å; Y574-Y651 AromaticContact CD2-CD1 3.99Å; Y574-Y651 HydrophobicContact CD2-CD1 3.99Å; Y574-Y651 AromaticContact CD2-CE1 3.95Å; Y574-Y651 HydrophobicContact CD2-CE1 3.95Å; Y574-Y651 HydrophobicContact CD2-CG 4.4Å; Y574-Y651 HydrophobicContact CE2-CD1 4.11Å; Y574-Y651 HydrophobicContact CE2-CD2 4.08Å; Y574-Y651 HydrophobicContact CE2-CE1 4.17Å; Y574-Y651 HydrophobicContact CE2-CE2 4.14Å; Y574-Y651 HydrophobicContact CE2-CG 4.06Å; Y574-Y651 HydrophobicContact CG-CE1 4.33Å; Y574-F654 VanDerWaalsContact CA-CE2 3.47Å; Y574-F654 HydrophobicContact CD2-CB 3.8Å; Y574-F654 AromaticContact CD2-CD1 3.83Å; Y574-F654 HydrophobicContact CD2-CD1 3.83Å; Y574-F654 HydrophobicContact CD2-CD2 4.38Å; Y574-F654 AromaticContact CD2-CG 3.73Å; Y574-F654 HydrophobicContact CD2-CG 3.73Å; Y574-F654 HydrophobicContact CE2-CB 4.2Å; Y574-F654 HydrophobicContact CG-CG 4.49Å |
| 575 | R | 92.6 | Very high | 91.4 | Very high | 143 Ų | 143 | 62.6 Ų | 62.6 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 178.2 | -67.4 | 174.6 | -153.6 | 114 | 1.6 | 111.5 | E571 D572 A579 | E571-R575 VanDerWaalsContact O-CG 3.25Å; E571-R575 WeakPolarHBondContact O-CG 2.87Å; E571-R575 PolarHBondContact O-N 2.83Å; E571-R575 PolarHBondContact O-NH1 3.12Å; D572-R575 IonicContact OD1-NH1 2.75Å; D572-R575 PolarHBondContact OD1-NH1 3.04Å; R575-A579 WeakPolarHBondContact O-CB 3.28Å; R575-A579 PolarHBondContact O-N 2.86Å |
| 576 | R | 93.6 | Very high | 91.5 | Very high | 110 Ų | 110 | 57.2 Ų | 57.2 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74.4 | -36.3 | -173.2 | -178.2 | 54.3 | -179.2 | 134.6 | -0.5 | 113.7 | F560 E561 L562 D572 S573 Y574 | F560-R576 HydrophobicContact CZ-CG 4.5Å; E561-R576 PolarHBondContact O-NE 3.16Å; E561-R576 PolarHBondContact O-NH2 2.8Å; L562-R576 HydrophobicContact CD2-CB 4.1Å; L562-R576 HydrophobicContact CD2-CG 3.51Å; D572-R576 WeakPolarHBondContact O-CB 3.37Å; D572-R576 PolarHBondContact O-N 3.21Å; D572-R576 VanDerWaalsContact O-N 3.11Å; S573-R576 PolarHBondContact O-N 3.33Å; Y574-R576 VanDerWaalsContact C-N 3.32Å; Y574-R576 PolarHBondContact O-N 3.33Å |
| 577 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -87.1 | -36.8 | -178.3 | -69.4 | 173.3 | 0 | 0 | 0 | 111.6 | L562 S573 A579 V580 L586 W609 F654 R657 V658 M661 | L562-I577 HydrophobicContact CD2-CG1 4.31Å; S573-I577 WeakPolarHBondContact O-CB 3.39Å; S573-I577 PolarHBondContact O-N 3.31Å; I577-A579 VanDerWaalsContact C-N 3.35Å; I577-V580 WeakPolarHBondContact O-CB 3.5Å; I577-V580 PolarHBondContact O-N 2.96Å; I577-L586 HydrophobicContact CG1-CD2 4.29Å; I577-L586 HydrophobicContact CG2-CD1 4.03Å; I577-L586 HydrophobicContact CG2-CD2 4.19Å; I577-W609 HydrophobicContact CD1-CH2 3.53Å; I577-W609 HydrophobicContact CD1-CZ2 3.48Å; I577-W609 VanDerWaalsContact CD1-CZ2 3.48Å; I577-F654 HydrophobicContact CB-CD2 4.09Å; I577-F654 HydrophobicContact CB-CE2 3.92Å; I577-F654 HydrophobicContact CD1-CE2 4.1Å; I577-F654 HydrophobicContact CG2-CD2 4.03Å; I577-F654 HydrophobicContact CG2-CE2 4.18Å; I577-R657 HydrophobicContact CG2-CB 4.04Å; I577-R657 PolarHBondContact O-NH1 2.95Å; I577-V658 HydrophobicContact CD1-CG2 4.22Å; I577-M661 HydrophobicContact CD1-CE 4.24Å; I577-M661 HydrophobicContact CD1-SD 3.97Å; I577-M661 HydrophobicContact CG2-SD 4.37Å |
| 578 | L | 92.3 | Very high | 92 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 28% | 0.277 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.1 | -34.5 | 177.3 | -167.8 | 64.4 | 0 | 0 | 0 | 111.7 | Y574 V580 R657 | Y574-L578 HydrophobicContact CE1-CD2 4.31Å; Y574-L578 HydrophobicContact CE2-CD2 3.81Å; Y574-L578 WeakPolarHBondContact O-CB 3.38Å; Y574-L578 PolarHBondContact O-N 2.91Å; L578-V580 PolarHBondContact O-N 2.93Å; L578-V580 VanDerWaalsContact O-N 3.12Å; L578-R657 PolarHBondContact O-NH1 3.13Å |
| 579 | A | 92.9 | Very high | 92 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 60% | 0.595 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R575 I577 K581 | R575-A579 WeakPolarHBondContact O-CB 3.28Å; R575-A579 PolarHBondContact O-N 2.86Å; I577-A579 VanDerWaalsContact C-N 3.35Å; A579-K581 PolarHBondContact O-N 3.07Å |
| 580 | V | 93.4 | Very high | 91.8 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | trans | -73.7 | 112.4 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | F560 I577 L578 R582 L585 L586 R657 | F560-V580 HydrophobicContact CE2-CG2 3.75Å; F560-V580 HydrophobicContact CZ-CG2 3.73Å; I577-V580 WeakPolarHBondContact O-CB 3.5Å; I577-V580 PolarHBondContact O-N 2.96Å; L578-V580 PolarHBondContact O-N 2.93Å; L578-V580 VanDerWaalsContact O-N 3.12Å; V580-R582 WeakPolarHBondContact CG1-O 3.19Å; V580-L585 HydrophobicContact CG1-CB 4.08Å; V580-L585 HydrophobicContact CG1-CD1 4.33Å; V580-L586 HydrophobicContact CB-CD2 4.4Å; V580-L586 HydrophobicContact CG1-CD2 4.46Å; V580-L586 HydrophobicContact CG1-CG 4.23Å; V580-L586 HydrophobicContact CG2-CD2 3.95Å; V580-R657 PolarHBondContact O-NH1 3.12Å; V580-R657 PolarHBondContact O-NH2 3.45Å | ||
| 581 | K | 90 | Very high | 91.6 | Very high | 203 Ų | 203 | 55.1 Ų | 55.1 | 88% | 0.883 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -80.2 | -27.7 | 178.7 | -66.1 | -172.7 | 177.6 | -175.8 | 0 | 114.5 | A579 | A579-K581 PolarHBondContact O-N 3.07Š|
| 582 | R | 92 | Very high | 91.6 | Very high | 99 Ų | 99 | 51.9 Ų | 51.9 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -110.1 | 101.5 | 176.2 | -178.8 | -179 | -179.4 | -179 | 2.8 | 109 | D555 V580 D584 L585 | D555-R582 IonicContact OD2-CZ 3.74Å; D555-R582 IonicContact OD2-NH1 2.99Å; D555-R582 PolarHBondContact OD2-NH1 3.16Å; D555-R582 IonicContact OD2-NH2 2.93Å; D555-R582 PolarHBondContact OD2-NH2 3.02Å; V580-R582 WeakPolarHBondContact CG1-O 3.19Å; R582-D584 HydrophobicContact CG-CB 4.32Å; R582-D584 IonicContact NE-OD2 3.89Å; R582-D584 PolarHBondContact NE-OD2 2.7Å; R582-D584 PolarHBondContact O-N 2.85Å; R582-D584 VanDerWaalsContact O-N 3.1Å; R582-L585 HydrophobicContact CB-CD1 4.22Å; R582-L585 HydrophobicContact CB-CG 4.24Å; R582-L585 HydrophobicContact CG-CG 4.47Å; R582-L585 WeakPolarHBondContact O-CB 3.37Å; R582-L585 WeakPolarHBondContact O-CG 3.48Å; R582-L585 PolarHBondContact O-N 3.17Å; R582-L585 VanDerWaalsContact O-N 3.07Å |
| 583 | P | 90.9 | Very high | 91.3 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59.2 | -25.9 | -172.5 | -26.9 | 35.8 | 0 | 0 | 0 | 114.6 | L585 L586 E775 | P583-L585 PolarHBondContact O-N 3.01Å; P583-L585 VanDerWaalsContact O-N 3.1Å; P583-L586 VanDerWaalsContact O-CB 3.31Å; P583-L586 WeakPolarHBondContact O-CB 3.48Å; P583-L586 PolarHBondContact O-N 3.31Å; P583-E775 HydrophobicContact CB-CB 3.91Å; P583-E775 HydrophobicContact CB-CG 4.38Å; P583-E775 HydrophobicContact CG-CB 3.98Å; P583-E775 HydrophobicContact CG-CG 3.88Å; P583-E775 WeakPolarHBondContact CG-OE2 3.49Å |
| 584 | D | 90.3 | Very high | 90.9 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.2 | -25.8 | 175.6 | -55.7 | -55.3 | 0 | 0 | 0 | 113.8 | P553 I556 R582 L586 K587 | P553-D584 HydrophobicContact CG-CB 4.38Å; I556-D584 WeakPolarHBondContact CD1-O 3.26Å; I556-D584 HydrophobicContact CG2-CB 3.73Å; R582-D584 HydrophobicContact CG-CB 4.32Å; R582-D584 IonicContact NE-OD2 3.89Å; R582-D584 PolarHBondContact NE-OD2 2.7Å; R582-D584 PolarHBondContact O-N 2.85Å; R582-D584 VanDerWaalsContact O-N 3.1Å; D584-L586 PolarHBondContact O-N 2.72Å; D584-K587 HydrophobicContact CB-CD 4.46Å; D584-K587 WeakPolarHBondContact O-CA 3.32Å; D584-K587 VanDerWaalsContact O-CB 3.26Å; D584-K587 WeakPolarHBondContact O-CB 3.21Å; D584-K587 PolarHBondContact O-N 3.13Å; D584-K587 IonicContact OD1-NZ 3.45Å; D584-K587 PolarHBondContact OD1-NZ 3.21Å |
| 585 | L | 91.6 | Very high | 90.4 | Very high | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -63 | -23.4 | 176.5 | -61.6 | 177.2 | 0 | 0 | 0 | 112.5 | I556 P557 F560 V580 R582 P583 K587 A588 | I556-L585 HydrophobicContact CG2-CD2 4.28Å; P557-L585 HydrophobicContact CG-CD2 4.16Å; F560-L585 HydrophobicContact CD2-CB 4.47Å; F560-L585 WeakPolarHBondContact CD2-O 3.24Å; V580-L585 HydrophobicContact CG1-CB 4.08Å; V580-L585 HydrophobicContact CG1-CD1 4.33Å; R582-L585 HydrophobicContact CB-CD1 4.22Å; R582-L585 HydrophobicContact CB-CG 4.24Å; R582-L585 HydrophobicContact CG-CG 4.47Å; R582-L585 WeakPolarHBondContact O-CB 3.37Å; R582-L585 WeakPolarHBondContact O-CG 3.48Å; R582-L585 PolarHBondContact O-N 3.17Å; R582-L585 VanDerWaalsContact O-N 3.07Å; P583-L585 PolarHBondContact O-N 3.01Å; P583-L585 VanDerWaalsContact O-N 3.1Å; L585-K587 VanDerWaalsContact C-N 3.28Å; L585-A588 WeakPolarHBondContact O-CB 3.46Å; L585-A588 PolarHBondContact O-N 3.27Å |
| 586 | L | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -78.3 | -11.9 | 174.2 | -57.2 | 174.4 | 0 | 0 | 0 | 112.9 | F560 I577 V580 P583 D584 A588 R657 M661 H665 L776 | F560-L586 HydrophobicContact CE1-CD2 4.04Å; F560-L586 HydrophobicContact CE2-CD2 4.06Å; F560-L586 HydrophobicContact CZ-CD2 3.75Å; I577-L586 HydrophobicContact CG1-CD2 4.29Å; I577-L586 HydrophobicContact CG2-CD1 4.03Å; I577-L586 HydrophobicContact CG2-CD2 4.19Å; V580-L586 HydrophobicContact CB-CD2 4.4Å; V580-L586 HydrophobicContact CG1-CD2 4.46Å; V580-L586 HydrophobicContact CG1-CG 4.23Å; V580-L586 HydrophobicContact CG2-CD2 3.95Å; P583-L586 VanDerWaalsContact O-CB 3.31Å; P583-L586 WeakPolarHBondContact O-CB 3.48Å; P583-L586 PolarHBondContact O-N 3.31Å; D584-L586 PolarHBondContact O-N 2.72Å; L586-A588 VanDerWaalsContact C-N 3.34Å; L586-R657 HydrophobicContact CD1-CB 4.45Å; L586-R657 HydrophobicContact CD1-CG 4.47Å; L586-M661 HydrophobicContact CB-CG 3.95Å; L586-M661 HydrophobicContact CB-SD 3.99Å; L586-M661 HydrophobicContact CD1-SD 4.13Å; L586-M661 HydrophobicContact CD2-CE 4.39Å; L586-M661 HydrophobicContact CD2-SD 3.96Å; L586-M661 HydrophobicContact CG-SD 4.24Å; L586-H665 PolarHBondContact O-NE2 3.07Å; L586-L776 HydrophobicContact CB-CD2 3.71Å; L586-L776 HydrophobicContact CD1-CD1 4.35Å; L586-L776 HydrophobicContact CD1-CD2 4.39Å |
| 587 | K | 91.4 | Very high | 89 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 13% | 0.13 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -85.8 | -4.1 | 173.2 | -56.3 | 172.3 | -172.3 | 162.7 | 0 | 112.4 | I556 D584 L585 F664 L776 | I556-K587 HydrophobicContact CD1-CB 3.81Å; D584-K587 HydrophobicContact CB-CD 4.46Å; D584-K587 WeakPolarHBondContact O-CA 3.32Å; D584-K587 VanDerWaalsContact O-CB 3.26Å; D584-K587 WeakPolarHBondContact O-CB 3.21Å; D584-K587 PolarHBondContact O-N 3.13Å; D584-K587 IonicContact OD1-NZ 3.45Å; D584-K587 PolarHBondContact OD1-NZ 3.21Å; L585-K587 VanDerWaalsContact C-N 3.28Å; K587-F664 HydrophobicContact CB-CD1 4.13Å; K587-F664 HydrophobicContact CB-CE1 3.63Å; K587-F664 HydrophobicContact CB-CE2 4.24Å; K587-F664 HydrophobicContact CB-CZ 3.7Å; K587-F664 HydrophobicContact CD-CD2 4.44Å; K587-F664 HydrophobicContact CD-CE2 4Å; K587-F664 HydrophobicContact CD-CZ 4.25Å; K587-F664 HydrophobicContact CG-CD1 4.32Å; K587-F664 HydrophobicContact CG-CD2 4.17Å; K587-F664 HydrophobicContact CG-CE1 4.15Å; K587-F664 HydrophobicContact CG-CE2 4Å; K587-F664 HydrophobicContact CG-CG 4.34Å; K587-F664 HydrophobicContact CG-CZ 4Å; K587-F664 WeakPolarHBondContact O-CE1 3.21Å; K587-L776 VanDerWaalsContact CE-O 3.28Å; K587-L776 WeakPolarHBondContact CE-O 3.44Å; K587-L776 HydrophobicContact CG-CD2 4.46Å |
| 588 | A | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -71.3 | 160.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I556 P557 F560 L585 L586 L590 H665 | I556-A588 HydrophobicContact CD1-CB 4.35Å; P557-A588 HydrophobicContact CG-CB 4.45Å; P557-A588 VanDerWaalsContact O-CB 3.22Å; P557-A588 WeakPolarHBondContact O-CB 3.4Å; F560-A588 HydrophobicContact CB-CB 4.15Å; L585-A588 WeakPolarHBondContact O-CB 3.46Å; L585-A588 PolarHBondContact O-N 3.27Å; L586-A588 VanDerWaalsContact C-N 3.34Å; A588-L590 PolarHBondContact O-N 3.25Å; A588-H665 PolarHBondContact O-CE1 3.47Å; A588-H665 PolarHBondContact O-NE2 3.46Å |
| 589 | R | 86.9 | Confident | 86 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 123.5 | 177.9 | 176 | 178.9 | 164 | 162.2 | -4.6 | 109.2 | N558 R559 F560 D601 | N558-R589 WeakPolarHBondContact O-CB 3.41Å; R559-R589 CarbonylContact C-O 3.59Å; R559-R589 VanDerWaalsContact CA-O 3.24Å; R559-R589 WeakPolarHBondContact CA-O 3.29Å; F560-R589 PolarHBondContact N-O 2.75Å; R589-D601 PolarHBondContact NH2-O 3.4Å |
| 590 | L | 88.3 | Confident | 84.5 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 137.7 | 176 | -154 | 67.5 | 0 | 0 | 0 | 110 | F560 L562 A588 V592 A606 W609 F610 M661 | F560-L590 HydrophobicContact CD1-CD1 4.03Å; L562-L590 HydrophobicContact CD1-CD1 3.72Å; L562-L590 HydrophobicContact CD1-CD2 4.19Å; L562-L590 HydrophobicContact CD1-CG 4.14Å; L562-L590 HydrophobicContact CG-CD1 4.27Å; A588-L590 PolarHBondContact O-N 3.25Å; L590-V592 HydrophobicContact CD2-CG2 3.97Å; L590-V592 HydrophobicContact CG-CG2 4.07Å; L590-A606 HydrophobicContact CB-CB 4.12Å; L590-A606 HydrophobicContact CD2-CB 4.14Å; L590-A606 HydrophobicContact CG-CB 4.47Å; L590-W609 HydrophobicContact CD2-CD2 4.2Å; L590-W609 HydrophobicContact CD2-CE3 3.44Å; L590-W609 VanDerWaalsContact CD2-CE3 3.44Å; L590-W609 HydrophobicContact CD2-CZ3 3.71Å; L590-F610 HydrophobicContact CD2-CE2 3.94Å; L590-F610 HydrophobicContact CD2-CZ 4.49Å; L590-M661 HydrophobicContact CD1-CE 3.66Å |
| 591 | W | 87.5 | Confident | 83 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 106 | 173.4 | -170 | -76.1 | 0 | 0 | 0 | 108.5 | R559 F560 E561 L562 D601 | R559-W591 HydrophobicContact CB-CB 4.27Å; F560-W591 PolarHBondContact O-N 3.18Å; E561-W591 WeakPolarHBondContact CA-O 3.24Å; E561-W591 HydrophobicContact CG-CB 4.49Å; L562-W591 PolarHBondContact N-O 2.94Å; W591-D601 WeakPolarHBondContact CA-OD2 3.37Å; W591-D601 HydrophobicContact CD2-CB 4.12Å; W591-D601 HydrophobicContact CE3-CB 4.47Å; W591-D601 HydrophobicContact CG-CB 4.45Å; W591-D601 HydrophobicContact CZ2-CB 4.38Å; W591-D601 VanDerWaalsContact CZ3-O 3.26Å; W591-D601 WeakPolarHBondContact CZ3-O 3.46Å |
| 592 | V | 88.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 137.5 | -175.9 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | L562 L564 L590 F594 D601 L605 A606 W609 | L562-V592 HydrophobicContact CB-CG2 4.31Å; L562-V592 HydrophobicContact CD1-CG2 4.21Å; L564-V592 HydrophobicContact CD1-CG1 4.32Å; L590-V592 HydrophobicContact CD2-CG2 3.97Å; L590-V592 HydrophobicContact CG-CG2 4.07Å; V592-F594 HydrophobicContact CG1-CD2 4.34Å; V592-F594 HydrophobicContact CG1-CE1 4.41Å; V592-F594 HydrophobicContact CG1-CE2 3.93Å; V592-F594 HydrophobicContact CG1-CZ 3.97Å; V592-D601 PolarHBondContact N-OD2 2.88Å; V592-L605 HydrophobicContact CB-CB 3.91Å; V592-L605 HydrophobicContact CG1-CB 4.26Å; V592-L605 WeakPolarHBondContact O-CD1 3.26Å; V592-A606 HydrophobicContact CG2-CB 4.38Å; V592-W609 HydrophobicContact CG1-CB 4.25Å; V592-W609 HydrophobicContact CG2-CB 3.9Å; V592-W609 HydrophobicContact CG2-CG 4.12Å |
| 593 | E | 87.4 | Confident | 80.5 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 33% | 0.327 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 114.3 | 178.1 | 177.6 | -175.4 | 117.6 | 0 | 0 | 108.7 | L562 K563 L564 | L562-E593 PolarHBondContact O-N 2.69Å; K563-E593 CarbonylContact C-O 3.56Å; K563-E593 WeakPolarHBondContact CA-O 3.34Å; K563-E593 WeakPolarHBondContact CD-OE1 3.29Å; K563-E593 HydrophobicContact CG-CB 4.2Å; K563-E593 HydrophobicContact CG-CG 4.49Å; K563-E593 IonicContact NZ-OE1 2.77Å; K563-E593 PolarHBondContact NZ-OE1 3.26Å; K563-E593 IonicContact NZ-OE2 3.87Å; K563-E593 PolarHBondContact NZ-OE2 3.36Å; L564-E593 PolarHBondContact N-O 3.1Å |
| 594 | F | 86.6 | Confident | 79.6 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.2 | 174.4 | -67.9 | -68.3 | 0 | 0 | 0 | 110.2 | L564 R566 V569 V592 G596 E597 L605 E608 L612 | L564-F594 HydrophobicContact CB-CD1 4.17Å; L564-F594 HydrophobicContact CB-CE1 4.26Å; L564-F594 HydrophobicContact CD1-CE1 4.43Å; R566-F594 HydrophobicContact CB-CD1 4.39Å; V569-F594 HydrophobicContact CG2-CE1 4.27Å; V592-F594 HydrophobicContact CG1-CD2 4.34Å; V592-F594 HydrophobicContact CG1-CE1 4.41Å; V592-F594 HydrophobicContact CG1-CE2 3.93Å; V592-F594 HydrophobicContact CG1-CZ 3.97Å; F594-G596 PolarHBondContact O-N 3.4Å; F594-G596 VanDerWaalsContact O-N 3.1Å; F594-E597 HydrophobicContact CB-CB 4.16Å; F594-E597 HydrophobicContact CB-CG 4.14Å; F594-E597 WeakPolarHBondContact CB-OE1 3.33Å; F594-E597 WeakPolarHBondContact CB-OE2 3.34Å; F594-E597 PolarHBondContact O-N 2.93Å; F594-L605 HydrophobicContact CD2-CD2 4.39Å; F594-E608 WeakPolarHBondContact CE2-OE2 3.38Å; F594-L612 HydrophobicContact CZ-CD1 4.07Å |
| 595 | K | 84.1 | Confident | 79.2 | Confident | 122 Ų | 122 | 53.1 Ų | 53.1 | 53% | 0.53 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 108.4 | -173.4 | -73.4 | 174.3 | -178.9 | 170.2 | 0 | 111.9 | L564 K565 | L564-K595 WeakPolarHBondContact O-CB 3.35Å; L564-K595 WeakPolarHBondContact O-CG 3.27Å; L564-K595 PolarHBondContact O-N 2.99Å; K565-K595 HydrophobicContact CG-CB 4.49Å; K565-K595 HydrophobicContact CG-CD 4.34Å |
| 596 | G | 78.6 | Confident | 78.8 | Confident | 86 Ų | 86 | 51 Ų | 51 | 89% | 0.887 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114 | -18.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F594 | F594-G596 PolarHBondContact O-N 3.4Å; F594-G596 VanDerWaalsContact O-N 3.1Å |
| 597 | E | 78.8 | Confident | 78.2 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 23% | 0.229 | 27% | 0.268 | C | S | . | . | trans | -89.6 | 142.8 | 177.7 | -64 | 166.8 | -138.9 | 0 | 0 | 109.7 | R566 F594 | R566-E597 IonicContact CZ-OE1 3.92Å; R566-E597 IonicContact CZ-OE2 3.61Å; R566-E597 IonicContact NE-OE1 2.75Å; R566-E597 PolarHBondContact NE-OE1 3.16Å; R566-E597 IonicContact NE-OE2 2.78Å; R566-E597 PolarHBondContact NE-OE2 3.35Å; R566-E597 IonicContact NH2-OE1 3.13Å; R566-E597 IonicContact NH2-OE2 2.63Å; R566-E597 PolarHBondContact NH2-OE2 3.46Å; F594-E597 HydrophobicContact CB-CB 4.16Å; F594-E597 HydrophobicContact CB-CG 4.14Å; F594-E597 WeakPolarHBondContact CB-OE1 3.33Å; F594-E597 WeakPolarHBondContact CB-OE2 3.34Å; F594-E597 PolarHBondContact O-N 2.93Å | ||
| 598 | K | 64.6 | Low | 77.8 | Confident | 182 Ų | 182 | 51.2 Ų | 51.2 | 79% | 0.791 | 27% | 0.266 | S | S | * | . | trans | -87.9 | 121.4 | 167.3 | -73.4 | -176.4 | -179.6 | 178.3 | 0 | 108.5 | ||||
| 599 | G | 60.1 | Low | 77.8 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | trans | -163.3 | 136.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 600 | L | 59.8 | Low | 77.9 | Confident | 127 Ų | 127 | 46.1 Ų | 46.1 | 67% | 0.665 | 25% | 0.247 | S | C | * | . | trans | -101.3 | 109.4 | 175.6 | -65.6 | 171.5 | 0 | 0 | 0 | 108.9 | Y602 | L600-Y602 VanDerWaalsContact C-N 3.27Å; L600-Y602 HydrophobicContact CB-CD2 3.89Å; L600-Y602 HydrophobicContact CB-CE2 3.5Å; L600-Y602 HydrophobicContact CD1-CE2 4.01Å; L600-Y602 HydrophobicContact CG-CE2 4.39Å; L600-Y602 WeakPolarHBondContact O-CD2 3.37Å; L600-Y602 PolarHBondContact O-N 3.01Å | ||
| 601 | D | 63.4 | Low | 77.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -78 | 73.6 | -173.9 | -164.3 | 17.9 | 0 | 0 | 0 | 113.8 | R589 W591 V592 G603 G604 L605 A606 | R589-D601 PolarHBondContact NH2-O 3.4Å; W591-D601 WeakPolarHBondContact CA-OD2 3.37Å; W591-D601 HydrophobicContact CD2-CB 4.12Å; W591-D601 HydrophobicContact CE3-CB 4.47Å; W591-D601 HydrophobicContact CG-CB 4.45Å; W591-D601 HydrophobicContact CZ2-CB 4.38Å; W591-D601 VanDerWaalsContact CZ3-O 3.26Å; W591-D601 WeakPolarHBondContact CZ3-O 3.46Å; V592-D601 PolarHBondContact N-OD2 2.88Å; D601-G603 PolarHBondContact O-N 3.24Å; D601-G603 VanDerWaalsContact O-N 3.09Å; D601-G603 VanDerWaalsContact OD1-C 3.29Å; D601-G603 WeakPolarHBondContact OD1-CA 3.39Å; D601-G603 PolarHBondContact OD1-N 2.62Å; D601-G604 PolarHBondContact OD1-N 3.35Å; D601-G604 VanDerWaalsContact OD1-N 3.14Å; D601-L605 HydrophobicContact CB-CB 4.24Å; D601-L605 HydrophobicContact CB-CD1 4.27Å; D601-L605 HydrophobicContact CB-CG 4.41Å; D601-L605 PolarHBondContact OD1-N 2.84Å; D601-L605 VanDerWaalsContact OD1-N 3.08Å; D601-A606 PolarHBondContact OD1-N 3.45Å; D601-A606 PolarHBondContact OD2-N 2.92Å | ||
| 602 | Y | 60.5 | Low | 77.5 | Confident | 136 Ų | 136 | 45.1 Ų | 45.1 | 53% | 0.533 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -66.7 | 2.4 | 163.8 | -64.3 | -77.3 | 0 | 0 | 0 | 112.7 | L600 S861 C884 | L600-Y602 VanDerWaalsContact C-N 3.27Å; L600-Y602 HydrophobicContact CB-CD2 3.89Å; L600-Y602 HydrophobicContact CB-CE2 3.5Å; L600-Y602 HydrophobicContact CD1-CE2 4.01Å; L600-Y602 HydrophobicContact CG-CE2 4.39Å; L600-Y602 WeakPolarHBondContact O-CD2 3.37Å; L600-Y602 PolarHBondContact O-N 3.01Å; Y602-S861 WeakPolarHBondContact O-CB 3.43Å; Y602-C884 VanDerWaalsContact CB-SG 3.53Å |
| 603 | G | 68.3 | Low | 77.6 | Confident | 9 Ų | 9 | 45 Ų | 45 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 121.3 | 1.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D601 R607 | D601-G603 PolarHBondContact O-N 3.24Å; D601-G603 VanDerWaalsContact O-N 3.09Å; D601-G603 VanDerWaalsContact OD1-C 3.29Å; D601-G603 WeakPolarHBondContact OD1-CA 3.39Å; D601-G603 PolarHBondContact OD1-N 2.62Å; G603-R607 WeakPolarHBondContact O-CG 3.43Å; G603-R607 PolarHBondContact O-N 3.31Å |
| 604 | G | 72.5 | Confident | 77.7 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -80 | -44.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D601 A606 R607 E608 T883 C884 | D601-G604 PolarHBondContact OD1-N 3.35Å; D601-G604 VanDerWaalsContact OD1-N 3.14Å; G604-A606 VanDerWaalsContact C-N 3.3Å; G604-A606 PolarHBondContact O-N 3.11Å; G604-R607 WeakPolarHBondContact O-CB 3.24Å; G604-R607 PolarHBondContact O-N 2.93Å; G604-R607 VanDerWaalsContact O-N 3.08Å; G604-E608 PolarHBondContact O-N 2.63Å; G604-T883 WeakPolarHBondContact CA-OG1 3.28Å; G604-C884 PolarHBondContact N-SG 3.1Å; G604-C884 VanDerWaalsContact N-SG 3.39Å |
| 605 | L | 81.9 | Confident | 77.5 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68 | -35.5 | 176.1 | -56.8 | -177.3 | 0 | 0 | 0 | 110.4 | V592 F594 D601 R607 E608 W609 F913 | V592-L605 HydrophobicContact CB-CB 3.91Å; V592-L605 HydrophobicContact CG1-CB 4.26Å; V592-L605 WeakPolarHBondContact O-CD1 3.26Å; F594-L605 HydrophobicContact CD2-CD2 4.39Å; D601-L605 HydrophobicContact CB-CB 4.24Å; D601-L605 HydrophobicContact CB-CD1 4.27Å; D601-L605 HydrophobicContact CB-CG 4.41Å; D601-L605 PolarHBondContact OD1-N 2.84Å; D601-L605 VanDerWaalsContact OD1-N 3.08Å; L605-R607 VanDerWaalsContact C-N 3.29Å; L605-R607 PolarHBondContact O-N 3.37Å; L605-E608 PolarHBondContact O-N 3.15Å; L605-W609 VanDerWaalsContact O-CB 3.31Å; L605-W609 WeakPolarHBondContact O-CB 3.31Å; L605-W609 PolarHBondContact O-N 3.48Å; L605-F913 HydrophobicContact CD2-CB 4.39Å; L605-F913 HydrophobicContact CD2-CD1 4.22Å; L605-F913 HydrophobicContact CD2-CD2 3.44Å; L605-F913 VanDerWaalsContact CD2-CD2 3.44Å; L605-F913 HydrophobicContact CD2-CE1 4.38Å; L605-F913 HydrophobicContact CD2-CE2 3.63Å; L605-F913 HydrophobicContact CD2-CG 3.75Å; L605-F913 HydrophobicContact CD2-CZ 4.11Å |
| 606 | A | 83 | Confident | 77.7 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -35.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L590 V592 D601 G604 F610 | L590-A606 HydrophobicContact CB-CB 4.12Å; L590-A606 HydrophobicContact CD2-CB 4.14Å; L590-A606 HydrophobicContact CG-CB 4.47Å; V592-A606 HydrophobicContact CG2-CB 4.38Å; D601-A606 PolarHBondContact OD1-N 3.45Å; D601-A606 PolarHBondContact OD2-N 2.92Å; G604-A606 VanDerWaalsContact C-N 3.3Å; G604-A606 PolarHBondContact O-N 3.11Å; A606-F610 WeakPolarHBondContact O-CD2 3.47Å; A606-F610 PolarHBondContact O-N 3.42Å |
| 607 | R | 78.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.3 | -50.9 | 174.7 | -80.3 | -171.7 | 170.6 | 94.4 | 14.3 | 112 | G603 G604 L605 W609 F610 F611 K667 T845 Y859 G860 T883 | G603-R607 WeakPolarHBondContact O-CG 3.43Å; G603-R607 PolarHBondContact O-N 3.31Å; G604-R607 WeakPolarHBondContact O-CB 3.24Å; G604-R607 PolarHBondContact O-N 2.93Å; G604-R607 VanDerWaalsContact O-N 3.08Å; L605-R607 VanDerWaalsContact C-N 3.29Å; L605-R607 PolarHBondContact O-N 3.37Å; R607-W609 PolarHBondContact O-N 3.07Å; R607-F610 PolarHBondContact O-N 2.99Å; R607-F610 VanDerWaalsContact O-N 3.11Å; R607-F611 PolarHBondContact O-N 3.05Å; R607-K667 HydrophobicContact CG-CD 4.13Å; R607-T845 WeakPolarHBondContact CD-O 3.36Å; R607-T845 PolarHBondContact NE-O 2.78Å; R607-Y859 PolarHBondContact NH2-O 2.86Å; R607-G860 VanDerWaalsContact NH2-C 3.28Å; R607-G860 PolarHBondContact NH2-O 2.76Å; R607-T883 PolarHBondContact NH1-O 3.45Å |
| 608 | E | 83.1 | Confident | 78.6 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56 | -41 | 178.3 | -175.1 | -173.7 | -143.8 | 0 | 0 | 111.2 | R566 F594 G604 L605 F610 F611 L612 F913 | R566-E608 IonicContact CZ-OE1 3.28Å; R566-E608 IonicContact CZ-OE2 2.66Å; R566-E608 VanDerWaalsContact NH1-CD 3.31Å; R566-E608 IonicContact NH1-OE1 3.86Å; R566-E608 PolarHBondContact NH1-OE1 3.05Å; R566-E608 IonicContact NH1-OE2 3.89Å; R566-E608 PolarHBondContact NH1-OE2 3.49Å; R566-E608 IonicContact NH2-OE1 2.75Å; R566-E608 PolarHBondContact NH2-OE1 3.39Å; R566-E608 IonicContact NH2-OE2 3.03Å; R566-E608 PolarHBondContact NH2-OE2 3.23Å; F594-E608 WeakPolarHBondContact CE2-OE2 3.38Å; G604-E608 PolarHBondContact O-N 2.63Å; L605-E608 PolarHBondContact O-N 3.15Å; E608-F610 PolarHBondContact O-N 2.98Å; E608-F611 WeakPolarHBondContact O-CB 3.34Å; E608-F611 PolarHBondContact O-N 2.92Å; E608-L612 HydrophobicContact CG-CD1 3.85Å; E608-L612 HydrophobicContact CG-CG 4.08Å; E608-L612 WeakPolarHBondContact O-CG 3.1Å; E608-L612 PolarHBondContact O-N 2.7Å; E608-F913 HydrophobicContact CB-CE2 4Å; E608-F913 HydrophobicContact CG-CE2 4.34Å; E608-F913 WeakPolarHBondContact OE2-CD2 3.48Å; E608-F913 WeakPolarHBondContact OE2-CE2 3.37Å |
| 609 | W | 90.1 | Very high | 79.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 175.9 | 177.1 | 77.5 | 0 | 0 | 0 | 113 | L562 L564 S573 I577 L590 V592 L605 R607 F611 L612 M613 V658 M661 | L562-W609 HydrophobicContact CD1-CD2 4.03Å; L562-W609 HydrophobicContact CD1-CE3 4.47Å; L562-W609 HydrophobicContact CD1-CH2 4.26Å; L562-W609 HydrophobicContact CD1-CZ2 3.8Å; L564-W609 HydrophobicContact CD1-CG 4.41Å; S573-W609 PolarHBondContact OG-NE1 3.26Å; I577-W609 HydrophobicContact CD1-CH2 3.53Å; I577-W609 HydrophobicContact CD1-CZ2 3.48Å; I577-W609 VanDerWaalsContact CD1-CZ2 3.48Å; L590-W609 HydrophobicContact CD2-CD2 4.2Å; L590-W609 HydrophobicContact CD2-CE3 3.44Å; L590-W609 VanDerWaalsContact CD2-CE3 3.44Å; L590-W609 HydrophobicContact CD2-CZ3 3.71Å; V592-W609 HydrophobicContact CG1-CB 4.25Å; V592-W609 HydrophobicContact CG2-CB 3.9Å; V592-W609 HydrophobicContact CG2-CG 4.12Å; L605-W609 VanDerWaalsContact O-CB 3.31Å; L605-W609 WeakPolarHBondContact O-CB 3.31Å; L605-W609 PolarHBondContact O-N 3.48Å; R607-W609 PolarHBondContact O-N 3.07Å; W609-F611 VanDerWaalsContact C-N 3.31Å; W609-F611 PolarHBondContact O-N 3.3Å; W609-L612 PolarHBondContact O-N 2.76Å; W609-M613 HydrophobicContact CD2-CG 3.89Å; W609-M613 HydrophobicContact CG-CG 4.21Å; W609-M613 HydrophobicContact CH2-CG 4.39Å; W609-M613 HydrophobicContact CZ2-CG 3.67Å; W609-M613 HydrophobicContact CZ2-SD 4.33Å; W609-M613 WeakPolarHBondContact O-CB 3.49Å; W609-M613 WeakPolarHBondContact O-CG 3.23Å; W609-M613 PolarHBondContact O-N 3.46Å; W609-V658 HydrophobicContact CH2-CG1 4.04Å; W609-V658 HydrophobicContact CH2-CG2 4.2Å; W609-V658 HydrophobicContact CZ3-CG1 4.41Å; W609-M661 HydrophobicContact CH2-CE 4.04Å; W609-M661 HydrophobicContact CZ3-CE 4.15Å |
| 610 | F | 89.3 | Confident | 80 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | 176.3 | -84.4 | -72.8 | 0 | 0 | 0 | 112.2 | L590 A606 R607 E608 S614 V658 M661 A662 K667 L669 | L590-F610 HydrophobicContact CD2-CE2 3.94Å; L590-F610 HydrophobicContact CD2-CZ 4.49Å; A606-F610 WeakPolarHBondContact O-CD2 3.47Å; A606-F610 PolarHBondContact O-N 3.42Å; R607-F610 PolarHBondContact O-N 2.99Å; R607-F610 VanDerWaalsContact O-N 3.11Å; E608-F610 PolarHBondContact O-N 2.98Å; F610-S614 PolarHBondContact O-N 3.23Å; F610-S614 PolarHBondContact O-OG 2.85Å; F610-V658 HydrophobicContact CD1-CG1 4.25Å; F610-V658 HydrophobicContact CE1-CG1 4.22Å; F610-M661 HydrophobicContact CE1-CB 4.02Å; F610-M661 HydrophobicContact CZ-CB 3.88Å; F610-A662 HydrophobicContact CD1-CB 3.83Å; F610-A662 VanDerWaalsContact CE1-CA 3.44Å; F610-A662 HydrophobicContact CE1-CB 3.59Å; F610-A662 HydrophobicContact CZ-CB 4.37Å; F610-K667 HydrophobicContact CB-CB 4.48Å; F610-K667 HydrophobicContact CD1-CB 4.49Å; F610-K667 HydrophobicContact CD2-CB 3.73Å; F610-K667 HydrophobicContact CD2-CG 3.61Å; F610-K667 HydrophobicContact CE2-CB 4.01Å; F610-K667 HydrophobicContact CE2-CG 3.63Å; F610-K667 HydrophobicContact CG-CB 4Å; F610-K667 HydrophobicContact CG-CG 4.39Å; F610-K667 HydrophobicContact CZ-CB 4.48Å; F610-K667 HydrophobicContact CZ-CG 4.4Å; F610-L669 HydrophobicContact CD1-CD2 4.4Å |
| 611 | F | 82.6 | Confident | 80.7 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -53.1 | 176.3 | 169.3 | -94.2 | 0 | 0 | 0 | 112.1 | R607 E608 W609 M613 S614 K615 D670 Q842 S848 | R607-F611 PolarHBondContact O-N 3.05Å; E608-F611 WeakPolarHBondContact O-CB 3.34Å; E608-F611 PolarHBondContact O-N 2.92Å; W609-F611 VanDerWaalsContact C-N 3.31Å; W609-F611 PolarHBondContact O-N 3.3Å; F611-M613 VanDerWaalsContact C-N 3.32Å; F611-M613 PolarHBondContact O-N 3.45Å; F611-S614 WeakPolarHBondContact CA-OG 3.27Å; F611-S614 PolarHBondContact O-N 3.33Å; F611-S614 VanDerWaalsContact O-N 3.13Å; F611-S614 PolarHBondContact O-OG 2.89Å; F611-K615 HydrophobicContact CE1-CD 4.03Å; F611-K615 HydrophobicContact CE2-CD 4.26Å; F611-K615 HydrophobicContact CZ-CD 3.79Å; F611-K615 VanDerWaalsContact CZ-NZ 3.3Å; F611-K615 PolarHBondContact O-N 2.93Å; F611-K615 VanDerWaalsContact O-N 3.07Å; F611-D670 HydrophobicContact CD2-CB 4.4Å; F611-D670 WeakPolarHBondContact CE2-OD2 3.48Å; F611-Q842 HydrophobicContact CE2-CG 4.39Å; F611-Q842 HydrophobicContact CZ-CG 4.45Å; F611-S848 WeakPolarHBondContact CD2-OG 3.23Å |
| 612 | L | 86.3 | Confident | 81.5 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 177.3 | -69.2 | 175.2 | 0 | 0 | 0 | 111 | V569 F594 E608 W609 S614 K615 E616 | V569-L612 HydrophobicContact CG1-CB 4.41Å; F594-L612 HydrophobicContact CZ-CD1 4.07Å; E608-L612 HydrophobicContact CG-CD1 3.85Å; E608-L612 HydrophobicContact CG-CG 4.08Å; E608-L612 WeakPolarHBondContact O-CG 3.1Å; E608-L612 PolarHBondContact O-N 2.7Å; W609-L612 PolarHBondContact O-N 2.76Å; L612-S614 PolarHBondContact O-N 3.46Å; L612-K615 PolarHBondContact O-N 2.81Å; L612-E616 PolarHBondContact O-N 3.04Å |
| 613 | M | 90.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 175.6 | -75.6 | -55.8 | -41.8 | 0 | 0 | 112.3 | V569 L570 S573 W609 F611 K615 E616 M617 F654 | V569-M613 HydrophobicContact CG2-SD 4.06Å; L570-M613 HydrophobicContact CD1-CE 3.68Å; S573-M613 VanDerWaalsContact CB-SD 3.6Å; S573-M613 PolarHBondContact OG-SD 3.39Å; W609-M613 HydrophobicContact CD2-CG 3.89Å; W609-M613 HydrophobicContact CG-CG 4.21Å; W609-M613 HydrophobicContact CH2-CG 4.39Å; W609-M613 HydrophobicContact CZ2-CG 3.67Å; W609-M613 HydrophobicContact CZ2-SD 4.33Å; W609-M613 WeakPolarHBondContact O-CB 3.49Å; W609-M613 WeakPolarHBondContact O-CG 3.23Å; W609-M613 PolarHBondContact O-N 3.46Å; F611-M613 VanDerWaalsContact C-N 3.32Å; F611-M613 PolarHBondContact O-N 3.45Å; M613-K615 PolarHBondContact O-N 2.99Å; M613-E616 PolarHBondContact O-N 3Å; M613-M617 HydrophobicContact CB-CE 4.23Å; M613-M617 HydrophobicContact CE-CG 3.68Å; M613-M617 HydrophobicContact CE-SD 3.92Å; M613-M617 VanDerWaalsContact O-CB 3.26Å; M613-M617 WeakPolarHBondContact O-CB 3.47Å; M613-M617 WeakPolarHBondContact O-CG 3.35Å; M613-M617 PolarHBondContact O-N 3.33Å; M613-F654 HydrophobicContact CE-CE1 3.75Å; M613-F654 HydrophobicContact CE-CZ 3.53Å |
| 614 | S | 88.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | F610 F611 L612 E616 F618 D670 | F610-S614 PolarHBondContact O-N 3.23Å; F610-S614 PolarHBondContact O-OG 2.85Å; F611-S614 WeakPolarHBondContact CA-OG 3.27Å; F611-S614 PolarHBondContact O-N 3.33Å; F611-S614 VanDerWaalsContact O-N 3.13Å; F611-S614 PolarHBondContact O-OG 2.89Å; L612-S614 PolarHBondContact O-N 3.46Å; S614-E616 PolarHBondContact O-N 3.06Å; S614-F618 WeakPolarHBondContact O-CB 3.19Å; S614-F618 WeakPolarHBondContact O-CD2 3.49Å; S614-F618 WeakPolarHBondContact O-CG 3.49Å; S614-F618 PolarHBondContact O-N 3.26Å; S614-D670 VanDerWaalsContact CB-N 3.28Å; S614-D670 VanDerWaalsContact OG-CB 3.27Å; S614-D670 WeakPolarHBondContact OG-CB 3.42Å; S614-D670 PolarHBondContact OG-N 2.7Å |
| 615 | K | 82.9 | Confident | 84.5 | Confident | 108 Ų | 108 | 33.4 Ų | 33.4 | 47% | 0.47 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.2 | -40 | 176.7 | -71.2 | -166.2 | 168.7 | -172.3 | 0 | 113.1 | F611 L612 M613 N619 | F611-K615 HydrophobicContact CE1-CD 4.03Å; F611-K615 HydrophobicContact CE2-CD 4.26Å; F611-K615 HydrophobicContact CZ-CD 3.79Å; F611-K615 VanDerWaalsContact CZ-NZ 3.3Å; F611-K615 PolarHBondContact O-N 2.93Å; F611-K615 VanDerWaalsContact O-N 3.07Å; L612-K615 PolarHBondContact O-N 2.81Å; M613-K615 PolarHBondContact O-N 2.99Å; K615-N619 WeakPolarHBondContact O-CB 3.43Å; K615-N619 PolarHBondContact O-N 3.15Å |
| 616 | E | 88.6 | Confident | 84.6 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 28% | 0.28 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -75 | -45.8 | 177.6 | -67.8 | -55.9 | 144.5 | 0 | 0 | 113.2 | V569 L570 L612 M613 S614 F618 N619 Y622 | V569-E616 HydrophobicContact CG1-CG 4.06Å; L570-E616 HydrophobicContact CB-CB 4.03Å; L570-E616 HydrophobicContact CB-CG 4.42Å; L570-E616 HydrophobicContact CD1-CB 4.44Å; L570-E616 HydrophobicContact CD2-CB 4.24Å; L570-E616 HydrophobicContact CG-CB 4.46Å; L612-E616 PolarHBondContact O-N 3.04Å; M613-E616 PolarHBondContact O-N 3Å; S614-E616 PolarHBondContact O-N 3.06Å; E616-F618 PolarHBondContact O-N 3.31Å; E616-N619 WeakPolarHBondContact O-CB 3.48Å; E616-N619 PolarHBondContact O-N 3.15Å; E616-Y622 WeakPolarHBondContact O-CD2 3.05Å; E616-Y622 WeakPolarHBondContact O-CE2 3.35Å; E616-Y622 WeakPolarHBondContact OE2-CE2 3.24Å; E616-Y622 PolarHBondContact OE2-OH 2.84Å |
| 617 | M | 90.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -30.8 | -177.9 | -72.6 | -176.7 | -49 | 0 | 0 | 113.4 | L570 M613 F625 F654 I655 V658 L669 | L570-M617 HydrophobicContact CD1-CG 4.18Å; M613-M617 HydrophobicContact CB-CE 4.23Å; M613-M617 HydrophobicContact CE-CG 3.68Å; M613-M617 HydrophobicContact CE-SD 3.92Å; M613-M617 VanDerWaalsContact O-CB 3.26Å; M613-M617 WeakPolarHBondContact O-CB 3.47Å; M613-M617 WeakPolarHBondContact O-CG 3.35Å; M613-M617 PolarHBondContact O-N 3.33Å; M617-F625 WeakPolarHBondContact O-CD2 3.27Å; M617-F625 WeakPolarHBondContact O-CE2 2.97Å; M617-F654 HydrophobicContact CG-CE1 4.25Å; M617-F654 HydrophobicContact SD-CE1 4.09Å; M617-I655 HydrophobicContact CB-CD1 4.42Å; M617-I655 HydrophobicContact CB-CG1 4.06Å; M617-I655 HydrophobicContact CG-CG1 3.87Å; M617-I655 HydrophobicContact SD-CB 4.14Å; M617-I655 HydrophobicContact SD-CG1 3.78Å; M617-I655 HydrophobicContact SD-CG2 4.09Å; M617-V658 HydrophobicContact CE-CB 4.07Å; M617-V658 HydrophobicContact CE-CG1 3.62Å; M617-V658 HydrophobicContact SD-CB 3.79Å; M617-V658 HydrophobicContact SD-CG1 3.88Å; M617-V658 HydrophobicContact SD-CG2 4.01Å; M617-L669 HydrophobicContact CE-CD2 4.35Å |
| 618 | F | 85.6 | Confident | 83.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 5.4 | -174.9 | -53.4 | -48 | 0 | 0 | 0 | 113.4 | S614 E616 P620 F625 L635 I655 L669 A671 F673 | S614-F618 WeakPolarHBondContact O-CB 3.19Å; S614-F618 WeakPolarHBondContact O-CD2 3.49Å; S614-F618 WeakPolarHBondContact O-CG 3.49Å; S614-F618 PolarHBondContact O-N 3.26Å; E616-F618 PolarHBondContact O-N 3.31Å; F618-P620 VanDerWaalsContact O-CD 3.27Å; F618-P620 WeakPolarHBondContact O-CD 3.48Å; F618-F625 AromaticContact CD1-CD2 3.93Å; F618-F625 HydrophobicContact CD1-CD2 3.93Å; F618-F625 HydrophobicContact CD1-CE1 4.43Å; F618-F625 AromaticContact CD1-CE2 3.53Å; F618-F625 HydrophobicContact CD1-CE2 3.53Å; F618-F625 AromaticContact CD1-CZ 3.81Å; F618-F625 HydrophobicContact CD1-CZ 3.81Å; F618-F625 AromaticContact CE1-CE2 3.9Å; F618-F625 HydrophobicContact CE1-CE2 3.9Å; F618-F625 AromaticContact CE1-CZ 3.85Å; F618-F625 HydrophobicContact CE1-CZ 3.85Å; F618-L635 HydrophobicContact CB-CD1 3.79Å; F618-L635 HydrophobicContact CG-CD1 4.32Å; F618-I655 HydrophobicContact CE1-CG2 3.66Å; F618-I655 HydrophobicContact CZ-CG2 4.03Å; F618-L669 HydrophobicContact CE2-CB 4.37Å; F618-L669 HydrophobicContact CE2-CD1 4.29Å; F618-L669 HydrophobicContact CZ-CD1 4.24Å; F618-A671 HydrophobicContact CD2-CB 3.6Å; F618-A671 HydrophobicContact CE2-CB 3.76Å; F618-A671 HydrophobicContact CG-CB 4.22Å; F618-A671 HydrophobicContact CZ-CB 4.49Å; F618-F673 HydrophobicContact CD1-CE1 4.04Å; F618-F673 AromaticContact CD1-CZ 3.96Å; F618-F673 HydrophobicContact CD1-CZ 3.96Å; F618-F673 AromaticContact CE1-CE1 3.99Å; F618-F673 HydrophobicContact CE1-CE1 3.99Å; F618-F673 AromaticContact CE1-CZ 3.54Å; F618-F673 HydrophobicContact CE1-CZ 3.54Å; F618-F673 HydrophobicContact CE2-CZ 4.29Å; F618-F673 AromaticContact CZ-CZ 3.74Å; F618-F673 HydrophobicContact CZ-CZ 3.74Å |
| 619 | N | 80 | Confident | 81.8 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | trans | -66.8 | 116.7 | 173.3 | 178.1 | -2.8 | 0 | 0 | 0 | 110.7 | K615 E616 Y621 Y622 | K615-N619 WeakPolarHBondContact O-CB 3.43Å; K615-N619 PolarHBondContact O-N 3.15Å; E616-N619 WeakPolarHBondContact O-CB 3.48Å; E616-N619 PolarHBondContact O-N 3.15Å; N619-Y621 PolarHBondContact O-N 3.28Å; N619-Y621 VanDerWaalsContact O-N 3.1Å; N619-Y621 WeakPolarHBondContact OD1-CB 3.3Å; N619-Y621 WeakPolarHBondContact OD1-CD2 3.41Å; N619-Y621 PolarHBondContact OD1-N 2.78Å; N619-Y622 HydrophobicContact CB-CD2 3.85Å; N619-Y622 HydrophobicContact CB-CE2 3.94Å; N619-Y622 PolarHBondContact O-N 2.89Å | ||
| 620 | P | 74.4 | Confident | 79.6 | Confident | 41 Ų | 41 | 45 Ų | 45 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -62 | -19.6 | -177.9 | -25.6 | 36.8 | 0 | 0 | 0 | 114.8 | F618 Y622 G623 F625 Y627 | F618-P620 VanDerWaalsContact O-CD 3.27Å; F618-P620 WeakPolarHBondContact O-CD 3.48Å; P620-Y622 PolarHBondContact O-N 3.21Å; P620-G623 PolarHBondContact O-N 2.99Å; P620-F625 WeakPolarHBondContact CA-O 3.47Å; P620-F625 WeakPolarHBondContact CB-O 3.5Å; P620-Y627 HydrophobicContact CG-CD2 4.24Å; P620-Y627 HydrophobicContact CG-CE2 3.72Å |
| 621 | Y | 74.7 | Confident | 77.5 | Confident | 219 Ų | 219 | 47.7 Ų | 47.7 | 86% | 0.859 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -63.6 | -20.3 | 177.3 | -70.3 | -63.8 | 0 | 0 | 0 | 113.7 | N619 G623 | N619-Y621 PolarHBondContact O-N 3.28Å; N619-Y621 VanDerWaalsContact O-N 3.1Å; N619-Y621 WeakPolarHBondContact OD1-CB 3.3Å; N619-Y621 WeakPolarHBondContact OD1-CD2 3.41Å; N619-Y621 PolarHBondContact OD1-N 2.78Å; Y621-G623 PolarHBondContact O-N 3.45Å |
| 622 | Y | 79.2 | Confident | 75.9 | Confident | 92 Ų | 92 | 53.4 Ų | 53.4 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -80.3 | -1.1 | 171.1 | -62.2 | -63.8 | 0 | 0 | 0 | 113.6 | L570 E616 N619 P620 L624 | L570-Y622 HydrophobicContact CD2-CD1 4.47Å; L570-Y622 HydrophobicContact CD2-CD2 4.13Å; L570-Y622 HydrophobicContact CD2-CE1 3.99Å; L570-Y622 HydrophobicContact CD2-CE2 3.62Å; E616-Y622 WeakPolarHBondContact O-CD2 3.05Å; E616-Y622 WeakPolarHBondContact O-CE2 3.35Å; E616-Y622 WeakPolarHBondContact OE2-CE2 3.24Å; E616-Y622 PolarHBondContact OE2-OH 2.84Å; N619-Y622 HydrophobicContact CB-CD2 3.85Å; N619-Y622 HydrophobicContact CB-CE2 3.94Å; N619-Y622 PolarHBondContact O-N 2.89Å; P620-Y622 PolarHBondContact O-N 3.21Å; Y622-L624 PolarHBondContact O-N 3.44Å; Y622-L624 VanDerWaalsContact O-N 3.13Å |
| 623 | G | 84.8 | Confident | 74.5 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 69.7 | 4.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | P620 Y621 N638 S641 | P620-G623 PolarHBondContact O-N 2.99Å; Y621-G623 PolarHBondContact O-N 3.45Å; G623-N638 WeakPolarHBondContact O-CB 3.26Å; G623-N638 PolarHBondContact O-ND2 3.49Å; G623-S641 VanDerWaalsContact O-CA 3.29Å; G623-S641 WeakPolarHBondContact O-CA 3.42Å; G623-S641 VanDerWaalsContact O-CB 3.24Å; G623-S641 WeakPolarHBondContact O-CB 3.45Å |
| 624 | L | 89.8 | Confident | 73.2 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -79.6 | -38.7 | 180 | -59.9 | 178.3 | 0 | 0 | 0 | 112.5 | Y622 N638 H648 Y651 F652 I655 | Y622-L624 PolarHBondContact O-N 3.44Å; Y622-L624 VanDerWaalsContact O-N 3.13Å; L624-N638 PolarHBondContact O-N 3.05Å; L624-H648 HydrophobicContact CD2-CB 3.83Å; L624-Y651 HydrophobicContact CD1-CD1 4.21Å; L624-Y651 HydrophobicContact CD1-CG 4.2Å; L624-F652 HydrophobicContact CB-CE1 4.41Å; L624-F652 HydrophobicContact CB-CZ 4.04Å; L624-F652 HydrophobicContact CD2-CE2 4.09Å; L624-F652 HydrophobicContact CD2-CZ 4.24Å; L624-F652 WeakPolarHBondContact O-CZ 3.03Å; L624-I655 HydrophobicContact CD1-CD1 3.75Å |
| 625 | F | 90.4 | Very high | 72.9 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 154.7 | 178.7 | -62.9 | -89.4 | 0 | 0 | 0 | 110.6 | M617 F618 P620 L635 Q636 I637 F652 I655 F673 F677 | M617-F625 WeakPolarHBondContact O-CD2 3.27Å; M617-F625 WeakPolarHBondContact O-CE2 2.97Å; F618-F625 AromaticContact CD1-CD2 3.93Å; F618-F625 HydrophobicContact CD1-CD2 3.93Å; F618-F625 HydrophobicContact CD1-CE1 4.43Å; F618-F625 AromaticContact CD1-CE2 3.53Å; F618-F625 HydrophobicContact CD1-CE2 3.53Å; F618-F625 AromaticContact CD1-CZ 3.81Å; F618-F625 HydrophobicContact CD1-CZ 3.81Å; F618-F625 AromaticContact CE1-CE2 3.9Å; F618-F625 HydrophobicContact CE1-CE2 3.9Å; F618-F625 AromaticContact CE1-CZ 3.85Å; F618-F625 HydrophobicContact CE1-CZ 3.85Å; P620-F625 WeakPolarHBondContact CA-O 3.47Å; P620-F625 WeakPolarHBondContact CB-O 3.5Å; F625-L635 HydrophobicContact CB-CD2 4.18Å; F625-Q636 WeakPolarHBondContact CA-O 3.35Å; F625-I637 HydrophobicContact CD1-CG1 4.19Å; F625-I637 HydrophobicContact CE1-CG1 3.8Å; F625-F652 HydrophobicContact CE1-CE1 4.31Å; F625-F652 HydrophobicContact CE2-CE1 4.18Å; F625-F652 HydrophobicContact CZ-CD1 4.42Å; F625-F652 AromaticContact CZ-CE1 3.89Å; F625-F652 HydrophobicContact CZ-CE1 3.89Å; F625-I655 HydrophobicContact CE2-CD1 4.1Å; F625-F673 HydrophobicContact CD1-CE1 4.25Å; F625-F673 HydrophobicContact CE1-CD1 4.35Å; F625-F673 AromaticContact CE1-CE1 3.76Å; F625-F673 HydrophobicContact CE1-CE1 3.76Å; F625-F673 HydrophobicContact CZ-CE1 4.3Å; F625-F677 HydrophobicContact CE1-CE2 4.49Å |
| 626 | E | 83.9 | Confident | 73.1 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 156.3 | 172.3 | 64.6 | -173.3 | -174.6 | 0 | 0 | 108.9 | Q636 N638 R761 | E626-Q636 HydrophobicContact CG-CG 3.38Å; E626-Q636 PolarHBondContact N-O 3.25Å; E626-Q636 PolarHBondContact O-N 3.36Å; E626-Q636 PolarHBondContact OE1-NE2 3.41Å; E626-N638 HydrophobicContact CB-CB 4.4Å; E626-N638 HydrophobicContact CG-CB 4.41Å; E626-R761 IonicContact OE1-NH2 3.38Å |
| 627 | Y | 74.1 | Confident | 73.3 | Confident | 108 Ų | 108 | 52 Ų | 52 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 163.5 | 171.1 | -67.6 | -62.4 | 0 | 0 | 0 | 111.1 | P620 T634 L635 Q636 | P620-Y627 HydrophobicContact CG-CD2 4.24Å; P620-Y627 HydrophobicContact CG-CE2 3.72Å; Y627-T634 CarbonylContact C-O 3.55Å; Y627-T634 WeakPolarHBondContact CA-O 3.42Å; Y627-L635 HydrophobicContact CD1-CD2 3.94Å; Y627-L635 HydrophobicContact CE1-CD2 3.79Å; Y627-L635 HydrophobicContact CE1-CG 4.48Å; Y627-Q636 PolarHBondContact O-NE2 2.83Å |
| 628 | S | 61.9 | Low | 73.3 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | trans | -70.3 | 175.5 | 170.2 | 71 | 0 | 0 | 0 | 0 | 112 | T630 D631 T634 | S628-T630 PolarHBondContact OG-OG1 2.83Å; S628-T630 VanDerWaalsContact OG-OG1 3.13Å; S628-D631 PolarHBondContact OG-N 3.37Å; S628-D631 VanDerWaalsContact OG-N 3.16Å; S628-D631 PolarHBondContact OG-O 3.43Å; S628-D631 PolarHBondContact OG-OD1 2.98Å; S628-T634 WeakPolarHBondContact CB-OG1 3.46Å; S628-T634 PolarHBondContact N-O 3.04Å; S628-T634 PolarHBondContact OG-OG1 3.25Å | ||
| 629 | A | 50.4 | Low | 73.5 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -81.6 | -27.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V694 D695 | A629-V694 PolarHBondContact N-O 3.13Å; A629-V694 VanDerWaalsContact N-O 3.1Å; A629-D695 HydrophobicContact CB-CB 4.37Å |
| 630 | T | 42.6 | Very low | 73.9 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -79.8 | -38.1 | -175.8 | 42.3 | 0 | 0 | 0 | 0 | 113.5 | S628 S693 V694 | S628-T630 PolarHBondContact OG-OG1 2.83Å; S628-T630 VanDerWaalsContact OG-OG1 3.13Å; T630-S693 PolarHBondContact OG1-O 3.34Å; T630-V694 PolarHBondContact N-O 3.42Å; T630-V694 PolarHBondContact OG1-O 2.63Å |
| 631 | D | 46.9 | Very low | 74.7 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | trans | -145.6 | 158.1 | 176.9 | 67.6 | 39.8 | 0 | 0 | 0 | 115.2 | S628 Y633 T634 | S628-D631 PolarHBondContact OG-N 3.37Å; S628-D631 VanDerWaalsContact OG-N 3.16Å; S628-D631 PolarHBondContact OG-O 3.43Å; S628-D631 PolarHBondContact OG-OD1 2.98Å; D631-Y633 PolarHBondContact O-N 3.32Å; D631-Y633 PolarHBondContact OD1-N 3.31Å; D631-Y633 VanDerWaalsContact OD1-N 3.14Å; D631-T634 WeakPolarHBondContact OD1-CB 3.45Å; D631-T634 PolarHBondContact OD1-N 3.33Å; D631-T634 PolarHBondContact OD1-OG1 3.46Å | ||
| 632 | N | 48.6 | Very low | 75.2 | Confident | 135 Ų | 135 | 42.7 Ų | 42.7 | 72% | 0.722 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -85.7 | 36.1 | 177.6 | -62.5 | -0.8 | 0 | 0 | 0 | 111.6 | ||
| 633 | Y | 55.8 | Low | 75.3 | Confident | 123 Ų | 123 | 43.6 Ų | 43.6 | 48% | 0.482 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -141.2 | -46.7 | -166.8 | -167.9 | -114.7 | 0 | 0 | 0 | 113.4 | D631 F672 | D631-Y633 PolarHBondContact O-N 3.32Å; D631-Y633 PolarHBondContact OD1-N 3.31Å; D631-Y633 VanDerWaalsContact OD1-N 3.14Å; Y633-F672 AromaticContact CD1-CD2 3.93Å; Y633-F672 HydrophobicContact CD1-CD2 3.93Å; Y633-F672 HydrophobicContact CD1-CE2 4.48Å; Y633-F672 HydrophobicContact CD1-CG 4.37Å; Y633-F672 AromaticContact CE1-CD2 3.27Å; Y633-F672 HydrophobicContact CE1-CD2 3.27Å; Y633-F672 AromaticContact CE1-CE2 3.42Å; Y633-F672 HydrophobicContact CE1-CE2 3.42Å; Y633-F672 VanDerWaalsContact CE1-CE2 3.42Å; Y633-F672 AromaticContact CE1-CG 3.91Å; Y633-F672 HydrophobicContact CE1-CG 3.91Å; Y633-F672 HydrophobicContact CE1-CZ 4.15Å; Y633-F672 HydrophobicContact CE2-CD2 4.35Å; Y633-F672 HydrophobicContact CE2-CE2 4.31Å; Y633-F672 AromaticContact CZ-CD2 3.55Å; Y633-F672 AromaticContact CZ-CE2 3.33Å; Y633-F672 WeakPolarHBondContact OH-CE2 3.26Å |
| 634 | T | 64.7 | Low | 74.9 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | trans | -76.3 | 135.3 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 111 | Y627 S628 D631 | Y627-T634 CarbonylContact C-O 3.55Å; Y627-T634 WeakPolarHBondContact CA-O 3.42Å; S628-T634 WeakPolarHBondContact CB-OG1 3.46Å; S628-T634 PolarHBondContact N-O 3.04Å; S628-T634 PolarHBondContact OG-OG1 3.25Å; D631-T634 WeakPolarHBondContact OD1-CB 3.45Å; D631-T634 PolarHBondContact OD1-N 3.33Å; D631-T634 PolarHBondContact OD1-OG1 3.46Å | ||
| 635 | L | 81.4 | Confident | 74.4 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 137.4 | -173.2 | -65 | 158.6 | 0 | 0 | 0 | 111.1 | F618 F625 Y627 A671 F672 F673 I674 | F618-L635 HydrophobicContact CB-CD1 3.79Å; F618-L635 HydrophobicContact CG-CD1 4.32Å; F625-L635 HydrophobicContact CB-CD2 4.18Å; Y627-L635 HydrophobicContact CD1-CD2 3.94Å; Y627-L635 HydrophobicContact CE1-CD2 3.79Å; Y627-L635 HydrophobicContact CE1-CG 4.48Å; L635-A671 HydrophobicContact CD1-CB 4.32Å; L635-F672 WeakPolarHBondContact CB-O 3.48Å; L635-F672 PolarHBondContact N-O 2.99Å; L635-F673 HydrophobicContact CB-CD1 4.01Å; L635-F673 HydrophobicContact CB-CE1 4.34Å; L635-F673 HydrophobicContact CD1-CE1 4.43Å; L635-F673 WeakPolarHBondContact O-CA 3.43Å; L635-I674 PolarHBondContact O-N 3.28Å |
| 636 | Q | 86.2 | Confident | 74.2 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.5 | 166.1 | 67 | -172 | -35.3 | 0 | 0 | 109.6 | F625 E626 Y627 N638 I674 | F625-Q636 WeakPolarHBondContact CA-O 3.35Å; E626-Q636 HydrophobicContact CG-CG 3.38Å; E626-Q636 PolarHBondContact N-O 3.25Å; E626-Q636 PolarHBondContact O-N 3.36Å; E626-Q636 PolarHBondContact OE1-NE2 3.41Å; Y627-Q636 PolarHBondContact O-NE2 2.83Å; Q636-N638 PolarHBondContact O-N 3.2Å; Q636-I674 HydrophobicContact CB-CD1 3.62Å; Q636-I674 HydrophobicContact CB-CG1 3.9Å; Q636-I674 HydrophobicContact CB-CG2 4.25Å |
| 637 | I | 92.8 | Very high | 74.4 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 128.3 | 174.5 | -70.6 | -180 | 0 | 0 | 0 | 108.4 | F625 P639 F652 F677 I762 Q765 M766 | F625-I637 HydrophobicContact CD1-CG1 4.19Å; F625-I637 HydrophobicContact CE1-CG1 3.8Å; I637-P639 WeakPolarHBondContact O-CD 3.48Å; I637-F652 HydrophobicContact CD1-CD1 4.41Å; I637-F652 HydrophobicContact CD1-CE1 4.1Å; I637-F652 HydrophobicContact CG1-CE1 4Å; I637-F652 HydrophobicContact CG2-CE1 4.06Å; I637-F652 HydrophobicContact CG2-CE2 4.5Å; I637-F652 HydrophobicContact CG2-CZ 3.75Å; I637-F677 HydrophobicContact CD1-CD2 4.45Å; I637-F677 HydrophobicContact CD1-CE2 4.03Å; I637-F677 HydrophobicContact CG1-CD2 4.46Å; I637-F677 HydrophobicContact CG1-CE2 4.19Å; I637-I762 HydrophobicContact CB-CB 4.26Å; I637-I762 HydrophobicContact CB-CD1 4.13Å; I637-I762 HydrophobicContact CB-CG2 4.04Å; I637-I762 HydrophobicContact CD1-CD1 4.38Å; I637-I762 HydrophobicContact CG2-CB 3.94Å; I637-I762 HydrophobicContact CG2-CG2 3.79Å; I637-Q765 HydrophobicContact CD1-CB 4.24Å; I637-Q765 HydrophobicContact CG2-CB 3.65Å; I637-Q765 HydrophobicContact CG2-CG 3.88Å; I637-M766 HydrophobicContact CD1-CB 4.22Å; I637-M766 HydrophobicContact CD1-CE 4.15Å |
| 638 | N | 90.6 | Very high | 75.4 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | trans | -68.4 | 119.8 | 172.5 | 177.8 | 6.1 | 0 | 0 | 0 | 109.4 | G623 L624 E626 Q636 N640 S641 | G623-N638 WeakPolarHBondContact O-CB 3.26Å; G623-N638 PolarHBondContact O-ND2 3.49Å; L624-N638 PolarHBondContact O-N 3.05Å; E626-N638 HydrophobicContact CB-CB 4.4Å; E626-N638 HydrophobicContact CG-CB 4.41Å; Q636-N638 PolarHBondContact O-N 3.2Å; N638-N640 VanDerWaalsContact C-N 3.25Å; N638-N640 PolarHBondContact O-N 2.96Å; N638-N640 WeakPolarHBondContact OD1-CA 3.43Å; N638-N640 WeakPolarHBondContact OD1-CB 3.34Å; N638-N640 PolarHBondContact OD1-N 2.94Å; N638-S641 VanDerWaalsContact O-CB 3.26Å; N638-S641 WeakPolarHBondContact O-CB 3.37Å; N638-S641 PolarHBondContact O-N 3.12Å; N638-S641 PolarHBondContact O-OG 3.37Å | ||
| 639 | P | 90 | Very high | 77 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 10% | 0.104 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -41.2 | 174.6 | -15.8 | 27.2 | 0 | 0 | 0 | 111.2 | I637 S641 R761 I762 Q765 | I637-P639 WeakPolarHBondContact O-CD 3.48Å; P639-S641 PolarHBondContact O-N 3.35Å; P639-S641 VanDerWaalsContact O-N 3.14Å; P639-R761 HydrophobicContact CB-CB 4.3Å; P639-R761 HydrophobicContact CB-CG 4.13Å; P639-R761 HydrophobicContact CG-CG 3.95Å; P639-I762 HydrophobicContact CB-CG2 4.41Å; P639-I762 HydrophobicContact CG-CG2 4.21Å; P639-Q765 PolarHBondContact O-NE2 3.07Å |
| 640 | N | 88.5 | Confident | 79.1 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 11.8 | -177.6 | -63.2 | -37.6 | 0 | 0 | 0 | 113.3 | N638 G642 L643 C644 | N638-N640 VanDerWaalsContact C-N 3.25Å; N638-N640 PolarHBondContact O-N 2.96Å; N638-N640 WeakPolarHBondContact OD1-CA 3.43Å; N638-N640 WeakPolarHBondContact OD1-CB 3.34Å; N638-N640 PolarHBondContact OD1-N 2.94Å; N640-G642 PolarHBondContact O-N 3.07Å; N640-L643 HydrophobicContact CB-CD1 3.96Å; N640-L643 WeakPolarHBondContact O-CB 3.15Å; N640-L643 PolarHBondContact O-N 2.92Å; N640-C644 PolarHBondContact O-N 2.87Å; N640-C644 PolarHBondContact O-SG 3.06Å; N640-C644 VanDerWaalsContact O-SG 3.38Å |
| 641 | S | 90.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.3 | -34.1 | 175.2 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | G623 N638 P639 L643 C644 N645 H648 Q765 | G623-S641 VanDerWaalsContact O-CA 3.29Å; G623-S641 WeakPolarHBondContact O-CA 3.42Å; G623-S641 VanDerWaalsContact O-CB 3.24Å; G623-S641 WeakPolarHBondContact O-CB 3.45Å; N638-S641 VanDerWaalsContact O-CB 3.26Å; N638-S641 WeakPolarHBondContact O-CB 3.37Å; N638-S641 PolarHBondContact O-N 3.12Å; N638-S641 PolarHBondContact O-OG 3.37Å; P639-S641 PolarHBondContact O-N 3.35Å; P639-S641 VanDerWaalsContact O-N 3.14Å; S641-L643 VanDerWaalsContact C-N 3.3Å; S641-L643 PolarHBondContact O-N 3.5Å; S641-C644 PolarHBondContact O-N 3.19Å; S641-N645 PolarHBondContact O-N 2.71Å; S641-H648 PolarHBondContact OG-ND1 2.87Å; S641-Q765 PolarHBondContact OG-NE2 3.11Å |
| 642 | G | 86.3 | Confident | 84 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.2 | -17.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N640 H648 | N640-G642 PolarHBondContact O-N 3.07Å; G642-H648 VanDerWaalsContact CA-CD2 3.48Å; G642-H648 WeakPolarHBondContact CA-CD2 3.31Å; G642-H648 WeakPolarHBondContact CA-NE2 3.2Å; G642-H648 PolarHBondContact N-CE1 2.85Å; G642-H648 PolarHBondContact N-ND1 3.37Å |
| 643 | L | 81.5 | Confident | 86.3 | Confident | 111 Ų | 111 | 48.8 Ų | 48.8 | 58% | 0.581 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -84.6 | -25.1 | 171.8 | -64.9 | 161.6 | 0 | 0 | 0 | 111.4 | N640 S641 F724 | N640-L643 HydrophobicContact CB-CD1 3.96Å; N640-L643 WeakPolarHBondContact O-CB 3.15Å; N640-L643 PolarHBondContact O-N 2.92Å; S641-L643 VanDerWaalsContact C-N 3.3Å; S641-L643 PolarHBondContact O-N 3.5Å; L643-F724 HydrophobicContact CD1-CE2 3.92Å; L643-F724 HydrophobicContact CD1-CZ 4.11Å |
| 644 | C | 76.3 | Confident | 88.3 | Confident | 83 Ų | 83 | 42.9 Ų | 42.9 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -85.6 | -30.3 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | N640 S641 | N640-C644 PolarHBondContact O-N 2.87Å; N640-C644 PolarHBondContact O-SG 3.06Å; N640-C644 VanDerWaalsContact O-SG 3.38Å; S641-C644 PolarHBondContact O-N 3.19Å |
| 645 | N | 79.9 | Confident | 89.8 | Confident | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.203 | 23% | 0.226 | C | C | . | . | trans | -153.5 | 111.8 | -171.3 | -179.8 | -2.1 | 0 | 0 | 0 | 110.7 | S641 D647 H648 Y651 | S641-N645 PolarHBondContact O-N 2.71Å; N645-D647 PolarHBondContact O-N 2.94Å; N645-D647 WeakPolarHBondContact OD1-CB 3.11Å; N645-D647 PolarHBondContact OD1-N 3.06Å; N645-H648 HydrophobicContact CB-CB 4.28Å; N645-H648 VanDerWaalsContact O-CB 3.26Å; N645-H648 WeakPolarHBondContact O-CB 3.27Å; N645-H648 PolarHBondContact O-N 2.71Å; N645-H648 VanDerWaalsContact O-N 3.07Å; N645-Y651 WeakPolarHBondContact ND2-CD2 3.17Å; N645-Y651 WeakPolarHBondContact ND2-CE2 3.33Å | ||
| 646 | E | 85.8 | Confident | 90.5 | Very high | 190 Ų | 190 | 41.2 Ų | 41.2 | 89% | 0.888 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -35.9 | 178.1 | -63.5 | 179.5 | 175.8 | 0 | 0 | 112.1 | H648 | E646-H648 VanDerWaalsContact C-N 3.25Å; E646-H648 PolarHBondContact O-N 2.85Å |
| 647 | D | 88.6 | Confident | 91.1 | Very high | 92 Ų | 92 | 41.1 Ų | 41.1 | 49% | 0.492 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.2 | 179.7 | -80.8 | -42.7 | 0 | 0 | 0 | 113.6 | N645 L649 T650 Y651 | N645-D647 PolarHBondContact O-N 2.94Å; N645-D647 WeakPolarHBondContact OD1-CB 3.11Å; N645-D647 PolarHBondContact OD1-N 3.06Å; D647-L649 PolarHBondContact O-N 3.39Å; D647-T650 PolarHBondContact O-N 3.15Å; D647-T650 PolarHBondContact O-OG1 2.83Å; D647-Y651 HydrophobicContact CB-CD2 4.06Å; D647-Y651 HydrophobicContact CB-CE2 3.98Å; D647-Y651 PolarHBondContact O-N 3.35Å |
| 648 | H | 93.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -50.6 | -36.9 | -168.1 | 75.3 | 133 | 0 | 0 | 0 | 114.6 | L624 S641 G642 N645 E646 T650 Y651 F652 | L624-H648 HydrophobicContact CD2-CB 3.83Å; S641-H648 PolarHBondContact OG-ND1 2.87Å; G642-H648 VanDerWaalsContact CA-CD2 3.48Å; G642-H648 WeakPolarHBondContact CA-CD2 3.31Å; G642-H648 WeakPolarHBondContact CA-NE2 3.2Å; G642-H648 PolarHBondContact N-CE1 2.85Å; G642-H648 PolarHBondContact N-ND1 3.37Å; N645-H648 HydrophobicContact CB-CB 4.28Å; N645-H648 VanDerWaalsContact O-CB 3.26Å; N645-H648 WeakPolarHBondContact O-CB 3.27Å; N645-H648 PolarHBondContact O-N 2.71Å; N645-H648 VanDerWaalsContact O-N 3.07Å; E646-H648 VanDerWaalsContact C-N 3.25Å; E646-H648 PolarHBondContact O-N 2.85Å; H648-T650 VanDerWaalsContact C-N 3.34Å; H648-T650 PolarHBondContact O-N 3.14Å; H648-Y651 WeakPolarHBondContact O-CB 3.45Å; H648-Y651 PolarHBondContact O-N 2.95Å; H648-F652 HydrophobicContact CB-CE2 4.26Å; H648-F652 AromaticContact ND1-CE2 3.85Å; H648-F652 WeakPolarHBondContact O-CD2 3.45Å; H648-F652 PolarHBondContact O-N 3.23Å |
| 649 | L | 95.9 | Very high | 91.5 | Very high | 64 Ų | 64 | 40 Ų | 40 | 34% | 0.335 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 177.6 | -58.2 | -175.2 | 0 | 0 | 0 | 112.7 | D647 Y651 F652 K653 K764 Q765 A768 | D647-L649 PolarHBondContact O-N 3.39Å; L649-Y651 VanDerWaalsContact C-N 3.34Å; L649-F652 PolarHBondContact O-N 3.36Å; L649-K653 PolarHBondContact O-N 2.89Å; L649-K764 HydrophobicContact CD1-CB 4.38Å; L649-K764 HydrophobicContact CD2-CB 3.79Å; L649-Q765 HydrophobicContact CD2-CG 4.31Å; L649-A768 HydrophobicContact CB-CB 4.4Å; L649-A768 WeakPolarHBondContact O-CB 3.48Å |
| 650 | T | 95.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.2 | -34.6 | 175.5 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | Y574 D647 H648 K653 F654 | Y574-T650 PolarHBondContact OH-OG1 3.04Å; D647-T650 PolarHBondContact O-N 3.15Å; D647-T650 PolarHBondContact O-OG1 2.83Å; H648-T650 VanDerWaalsContact C-N 3.34Å; H648-T650 PolarHBondContact O-N 3.14Å; T650-K653 PolarHBondContact O-N 2.89Å; T650-F654 WeakPolarHBondContact O-CB 3.29Å; T650-F654 PolarHBondContact O-N 3.31Å |
| 651 | Y | 95.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 170.4 | -80.4 | -90.3 | 0 | 0 | 0 | 111.1 | Y574 L624 N645 D647 H648 L649 K653 F654 I655 | Y574-Y651 AromaticContact CD2-CD1 3.99Å; Y574-Y651 HydrophobicContact CD2-CD1 3.99Å; Y574-Y651 AromaticContact CD2-CE1 3.95Å; Y574-Y651 HydrophobicContact CD2-CE1 3.95Å; Y574-Y651 HydrophobicContact CD2-CG 4.4Å; Y574-Y651 HydrophobicContact CE2-CD1 4.11Å; Y574-Y651 HydrophobicContact CE2-CD2 4.08Å; Y574-Y651 HydrophobicContact CE2-CE1 4.17Å; Y574-Y651 HydrophobicContact CE2-CE2 4.14Å; Y574-Y651 HydrophobicContact CE2-CG 4.06Å; Y574-Y651 HydrophobicContact CG-CE1 4.33Å; L624-Y651 HydrophobicContact CD1-CD1 4.21Å; L624-Y651 HydrophobicContact CD1-CG 4.2Å; N645-Y651 WeakPolarHBondContact ND2-CD2 3.17Å; N645-Y651 WeakPolarHBondContact ND2-CE2 3.33Å; D647-Y651 HydrophobicContact CB-CD2 4.06Å; D647-Y651 HydrophobicContact CB-CE2 3.98Å; D647-Y651 PolarHBondContact O-N 3.35Å; H648-Y651 WeakPolarHBondContact O-CB 3.45Å; H648-Y651 PolarHBondContact O-N 2.95Å; L649-Y651 VanDerWaalsContact C-N 3.34Å; Y651-K653 VanDerWaalsContact C-N 3.34Å; Y651-K653 PolarHBondContact O-N 3.1Å; Y651-F654 WeakPolarHBondContact O-CB 3.3Å; Y651-F654 PolarHBondContact O-N 3.25Å; Y651-F654 VanDerWaalsContact O-N 3.15Å; Y651-I655 WeakPolarHBondContact O-CB 3.27Å; Y651-I655 WeakPolarHBondContact O-CD1 3.47Å; Y651-I655 WeakPolarHBondContact O-CG1 3.32Å; Y651-I655 PolarHBondContact O-N 3.23Å |
| 652 | F | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 174.5 | -75 | -65.9 | 0 | 0 | 0 | 112.5 | L624 F625 I637 H648 L649 I655 G656 Q765 A768 F769 | L624-F652 HydrophobicContact CB-CE1 4.41Å; L624-F652 HydrophobicContact CB-CZ 4.04Å; L624-F652 HydrophobicContact CD2-CE2 4.09Å; L624-F652 HydrophobicContact CD2-CZ 4.24Å; L624-F652 WeakPolarHBondContact O-CZ 3.03Å; F625-F652 HydrophobicContact CE1-CE1 4.31Å; F625-F652 HydrophobicContact CE2-CE1 4.18Å; F625-F652 HydrophobicContact CZ-CD1 4.42Å; F625-F652 AromaticContact CZ-CE1 3.89Å; F625-F652 HydrophobicContact CZ-CE1 3.89Å; I637-F652 HydrophobicContact CD1-CD1 4.41Å; I637-F652 HydrophobicContact CD1-CE1 4.1Å; I637-F652 HydrophobicContact CG1-CE1 4Å; I637-F652 HydrophobicContact CG2-CE1 4.06Å; I637-F652 HydrophobicContact CG2-CE2 4.5Å; I637-F652 HydrophobicContact CG2-CZ 3.75Å; H648-F652 HydrophobicContact CB-CE2 4.26Å; H648-F652 AromaticContact ND1-CE2 3.85Å; H648-F652 WeakPolarHBondContact O-CD2 3.45Å; H648-F652 PolarHBondContact O-N 3.23Å; L649-F652 PolarHBondContact O-N 3.36Å; F652-I655 PolarHBondContact O-N 2.82Å; F652-G656 PolarHBondContact O-N 3.15Å; F652-Q765 WeakPolarHBondContact CB-O 3.22Å; F652-Q765 HydrophobicContact CD1-CB 4.4Å; F652-Q765 HydrophobicContact CD2-CB 3.6Å; F652-Q765 HydrophobicContact CD2-CG 3.75Å; F652-Q765 HydrophobicContact CE1-CB 4.36Å; F652-Q765 HydrophobicContact CE2-CB 3.57Å; F652-Q765 HydrophobicContact CE2-CG 3.37Å; F652-Q765 HydrophobicContact CG-CB 4.05Å; F652-Q765 HydrophobicContact CZ-CB 3.97Å; F652-Q765 HydrophobicContact CZ-CG 4.01Å; F652-A768 HydrophobicContact CB-CB 4.01Å; F652-F769 HydrophobicContact CB-CB 4.36Å; F652-F769 WeakPolarHBondContact O-CA 3.35Å |
| 653 | K | 97.1 | Very high | 92.5 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 16% | 0.157 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 173.9 | -175.7 | 168.9 | -177.6 | 173.9 | 0 | 112.7 | L649 T650 Y651 G656 R657 A768 E771 G772 E775 | L649-K653 PolarHBondContact O-N 2.89Å; T650-K653 PolarHBondContact O-N 2.89Å; Y651-K653 VanDerWaalsContact C-N 3.34Å; Y651-K653 PolarHBondContact O-N 3.1Å; K653-G656 PolarHBondContact O-N 3.36Å; K653-R657 PolarHBondContact O-N 3.11Å; K653-A768 VanDerWaalsContact CA-O 3.29Å; K653-A768 WeakPolarHBondContact CA-O 3.47Å; K653-A768 HydrophobicContact CB-CB 4.35Å; K653-E771 HydrophobicContact CD-CG 4.37Å; K653-E771 IonicContact NZ-OE1 3.29Å; K653-E771 PolarHBondContact NZ-OE1 2.83Å; K653-G772 WeakPolarHBondContact O-CA 3.48Å; K653-E775 WeakPolarHBondContact CE-OE1 3.27Å; K653-E775 IonicContact NZ-OE1 3.52Å; K653-E775 PolarHBondContact NZ-OE1 2.66Å |
| 654 | F | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 173.5 | 162.2 | -107.7 | 0 | 0 | 0 | 112.1 | L570 Y574 I577 M613 M617 T650 Y651 G656 R657 V658 | L570-F654 HydrophobicContact CD1-CE1 3.95Å; Y574-F654 VanDerWaalsContact CA-CE2 3.47Å; Y574-F654 HydrophobicContact CD2-CB 3.8Å; Y574-F654 AromaticContact CD2-CD1 3.83Å; Y574-F654 HydrophobicContact CD2-CD1 3.83Å; Y574-F654 HydrophobicContact CD2-CD2 4.38Å; Y574-F654 AromaticContact CD2-CG 3.73Å; Y574-F654 HydrophobicContact CD2-CG 3.73Å; Y574-F654 HydrophobicContact CE2-CB 4.2Å; Y574-F654 HydrophobicContact CG-CG 4.49Å; I577-F654 HydrophobicContact CB-CD2 4.09Å; I577-F654 HydrophobicContact CB-CE2 3.92Å; I577-F654 HydrophobicContact CD1-CE2 4.1Å; I577-F654 HydrophobicContact CG2-CD2 4.03Å; I577-F654 HydrophobicContact CG2-CE2 4.18Å; M613-F654 HydrophobicContact CE-CE1 3.75Å; M613-F654 HydrophobicContact CE-CZ 3.53Å; M617-F654 HydrophobicContact CG-CE1 4.25Å; M617-F654 HydrophobicContact SD-CE1 4.09Å; T650-F654 WeakPolarHBondContact O-CB 3.29Å; T650-F654 PolarHBondContact O-N 3.31Å; Y651-F654 WeakPolarHBondContact O-CB 3.3Å; Y651-F654 PolarHBondContact O-N 3.25Å; Y651-F654 VanDerWaalsContact O-N 3.15Å; F654-G656 VanDerWaalsContact C-N 3.29Å; F654-G656 PolarHBondContact O-N 3.11Å; F654-R657 WeakPolarHBondContact O-CA 3.34Å; F654-R657 WeakPolarHBondContact O-CB 3.44Å; F654-R657 PolarHBondContact O-N 2.81Å; F654-V658 HydrophobicContact CD2-CG2 4.08Å; F654-V658 HydrophobicContact CE1-CG2 4.3Å; F654-V658 HydrophobicContact CE2-CG2 3.52Å; F654-V658 HydrophobicContact CZ-CG2 3.66Å; F654-V658 WeakPolarHBondContact O-CG2 3.37Å; F654-V658 PolarHBondContact O-N 2.85Å |
| 655 | I | 96.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 177.9 | -64.5 | 159.3 | 0 | 0 | 0 | 110.3 | M617 F618 L624 F625 Y651 F652 V658 A659 F769 | M617-I655 HydrophobicContact CB-CD1 4.42Å; M617-I655 HydrophobicContact CB-CG1 4.06Å; M617-I655 HydrophobicContact CG-CG1 3.87Å; M617-I655 HydrophobicContact SD-CB 4.14Å; M617-I655 HydrophobicContact SD-CG1 3.78Å; M617-I655 HydrophobicContact SD-CG2 4.09Å; F618-I655 HydrophobicContact CE1-CG2 3.66Å; F618-I655 HydrophobicContact CZ-CG2 4.03Å; L624-I655 HydrophobicContact CD1-CD1 3.75Å; F625-I655 HydrophobicContact CE2-CD1 4.1Å; Y651-I655 WeakPolarHBondContact O-CB 3.27Å; Y651-I655 WeakPolarHBondContact O-CD1 3.47Å; Y651-I655 WeakPolarHBondContact O-CG1 3.32Å; Y651-I655 PolarHBondContact O-N 3.23Å; F652-I655 PolarHBondContact O-N 2.82Å; I655-V658 PolarHBondContact O-N 2.79Å; I655-A659 WeakPolarHBondContact O-CB 3.41Å; I655-A659 PolarHBondContact O-N 3.37Å; I655-F769 HydrophobicContact CG2-CD2 4.15Å; I655-F769 HydrophobicContact CG2-CE2 4.07Å |
| 656 | G | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.4 | -48 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F652 K653 F654 A659 G660 F769 F773 | F652-G656 PolarHBondContact O-N 3.15Å; K653-G656 PolarHBondContact O-N 3.36Å; F654-G656 VanDerWaalsContact C-N 3.29Å; F654-G656 PolarHBondContact O-N 3.11Å; G656-A659 PolarHBondContact O-N 2.75Å; G656-G660 PolarHBondContact O-N 2.69Å; G656-F769 WeakPolarHBondContact CA-O 3.39Å; G656-F773 VanDerWaalsContact O-CA 3.25Å; G656-F773 WeakPolarHBondContact O-CA 3.22Å; G656-F773 PolarHBondContact O-N 3.41Å |
| 657 | R | 97.4 | Very high | 94 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.9 | -76.1 | -178.2 | 169 | -172.5 | -1.5 | 112 | I577 L578 V580 L586 K653 F654 G660 M661 G772 E775 L776 | I577-R657 HydrophobicContact CG2-CB 4.04Å; I577-R657 PolarHBondContact O-NH1 2.95Å; L578-R657 PolarHBondContact O-NH1 3.13Å; V580-R657 PolarHBondContact O-NH1 3.12Å; V580-R657 PolarHBondContact O-NH2 3.45Å; L586-R657 HydrophobicContact CD1-CB 4.45Å; L586-R657 HydrophobicContact CD1-CG 4.47Å; K653-R657 PolarHBondContact O-N 3.11Å; F654-R657 WeakPolarHBondContact O-CA 3.34Å; F654-R657 WeakPolarHBondContact O-CB 3.44Å; F654-R657 PolarHBondContact O-N 2.81Å; R657-G660 PolarHBondContact O-N 3.41Å; R657-M661 VanDerWaalsContact O-CG 3.27Å; R657-M661 WeakPolarHBondContact O-CG 3.4Å; R657-M661 PolarHBondContact O-N 3.39Å; R657-G772 WeakPolarHBondContact CA-O 3.48Å; R657-G772 PolarHBondContact N-O 3.38Å; R657-E775 IonicContact CZ-OE2 3.11Å; R657-E775 IonicContact NE-OE2 2.8Å; R657-E775 PolarHBondContact NE-OE2 3.43Å; R657-E775 IonicContact NH2-OE1 3.35Å; R657-E775 PolarHBondContact NH2-OE1 3.21Å; R657-E775 IonicContact NH2-OE2 2.62Å; R657-E775 PolarHBondContact NH2-OE2 3.47Å; R657-L776 HydrophobicContact CB-CD1 4.23Å; R657-L776 HydrophobicContact CG-CD1 4.16Å |
| 658 | V | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 179.1 | 179 | 0 | 0 | 0 | 0 | 111.1 | I577 W609 F610 M617 F654 I655 M661 A662 | I577-V658 HydrophobicContact CD1-CG2 4.22Å; W609-V658 HydrophobicContact CH2-CG1 4.04Å; W609-V658 HydrophobicContact CH2-CG2 4.2Å; W609-V658 HydrophobicContact CZ3-CG1 4.41Å; F610-V658 HydrophobicContact CD1-CG1 4.25Å; F610-V658 HydrophobicContact CE1-CG1 4.22Å; M617-V658 HydrophobicContact CE-CB 4.07Å; M617-V658 HydrophobicContact CE-CG1 3.62Å; M617-V658 HydrophobicContact SD-CB 3.79Å; M617-V658 HydrophobicContact SD-CG1 3.88Å; M617-V658 HydrophobicContact SD-CG2 4.01Å; F654-V658 HydrophobicContact CD2-CG2 4.08Å; F654-V658 HydrophobicContact CE1-CG2 4.3Å; F654-V658 HydrophobicContact CE2-CG2 3.52Å; F654-V658 HydrophobicContact CZ-CG2 3.66Å; F654-V658 WeakPolarHBondContact O-CG2 3.37Å; F654-V658 PolarHBondContact O-N 2.85Å; I655-V658 PolarHBondContact O-N 2.79Å; V658-M661 WeakPolarHBondContact O-CB 2.97Å; V658-M661 PolarHBondContact O-N 2.97Å; V658-A662 PolarHBondContact O-N 3.5Å |
| 659 | A | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I655 G656 M661 A662 V663 L669 F769 F773 M794 | I655-A659 WeakPolarHBondContact O-CB 3.41Å; I655-A659 PolarHBondContact O-N 3.37Å; G656-A659 PolarHBondContact O-N 2.75Å; A659-M661 VanDerWaalsContact C-N 3.34Å; A659-A662 PolarHBondContact O-N 3.15Å; A659-V663 PolarHBondContact O-N 2.83Å; A659-V663 VanDerWaalsContact O-N 3.1Å; A659-L669 HydrophobicContact CB-CD1 3.85Å; A659-F769 HydrophobicContact CB-CE2 4.04Å; A659-F769 HydrophobicContact CB-CZ 4.04Å; A659-F773 HydrophobicContact CB-CD2 3.84Å; A659-F773 HydrophobicContact CB-CE2 4.2Å; A659-M794 HydrophobicContact CB-CE 4.25Å |
| 660 | G | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G656 R657 F664 I777 | G656-G660 PolarHBondContact O-N 2.69Å; R657-G660 PolarHBondContact O-N 3.41Å; G660-F664 VanDerWaalsContact O-CB 3.29Å; G660-F664 WeakPolarHBondContact O-CB 3.45Å; G660-F664 PolarHBondContact O-N 3.01Å; G660-I777 WeakPolarHBondContact O-CD1 3.38Å |
| 661 | M | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 172.4 | -71.3 | 171.6 | 65.3 | 0 | 0 | 111.6 | I577 L586 L590 W609 F610 R657 V658 A659 F664 H665 L776 | I577-M661 HydrophobicContact CD1-CE 4.24Å; I577-M661 HydrophobicContact CD1-SD 3.97Å; I577-M661 HydrophobicContact CG2-SD 4.37Å; L586-M661 HydrophobicContact CB-CG 3.95Å; L586-M661 HydrophobicContact CB-SD 3.99Å; L586-M661 HydrophobicContact CD1-SD 4.13Å; L586-M661 HydrophobicContact CD2-CE 4.39Å; L586-M661 HydrophobicContact CD2-SD 3.96Å; L586-M661 HydrophobicContact CG-SD 4.24Å; L590-M661 HydrophobicContact CD1-CE 3.66Å; W609-M661 HydrophobicContact CH2-CE 4.04Å; W609-M661 HydrophobicContact CZ3-CE 4.15Å; F610-M661 HydrophobicContact CE1-CB 4.02Å; F610-M661 HydrophobicContact CZ-CB 3.88Å; R657-M661 VanDerWaalsContact O-CG 3.27Å; R657-M661 WeakPolarHBondContact O-CG 3.4Å; R657-M661 PolarHBondContact O-N 3.39Å; V658-M661 WeakPolarHBondContact O-CB 2.97Å; V658-M661 PolarHBondContact O-N 2.97Å; A659-M661 VanDerWaalsContact C-N 3.34Å; M661-F664 PolarHBondContact O-N 3.33Å; M661-H665 WeakPolarHBondContact O-CB 3.3Å; M661-H665 PolarHBondContact O-CD2 2.93Å; M661-H665 PolarHBondContact O-N 3.18Å; M661-L776 HydrophobicContact CB-CD2 4.27Å; M661-L776 HydrophobicContact CG-CD2 3.41Å; M661-L776 VanDerWaalsContact CG-CD2 3.41Å |
| 662 | A | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.3 | -53.9 | 180 | 0 | 0 | 0 | 0 | 0 | 110.6 | F610 V658 A659 F664 H665 G666 K667 L669 | F610-A662 HydrophobicContact CD1-CB 3.83Å; F610-A662 VanDerWaalsContact CE1-CA 3.44Å; F610-A662 HydrophobicContact CE1-CB 3.59Å; F610-A662 HydrophobicContact CZ-CB 4.37Å; V658-A662 PolarHBondContact O-N 3.5Å; A659-A662 PolarHBondContact O-N 3.15Å; A662-F664 VanDerWaalsContact C-N 3.33Å; A662-F664 PolarHBondContact O-N 3.24Å; A662-H665 PolarHBondContact O-N 3.43Å; A662-G666 PolarHBondContact O-N 3.23Å; A662-K667 CarbonylContact C-O 3.54Å; A662-K667 HydrophobicContact CB-CB 4.46Å; A662-K667 WeakPolarHBondContact CB-O 3.33Å; A662-K667 PolarHBondContact O-N 3.36Å; A662-L669 HydrophobicContact CB-CD2 4.04Å; A662-L669 HydrophobicContact CB-CG 4.07Å |
| 663 | V | 92.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.024 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | F546 A659 F773 I777 L793 M794 | F546-V663 HydrophobicContact CE1-CG1 3.69Å; F546-V663 HydrophobicContact CZ-CG1 3.51Å; A659-V663 PolarHBondContact O-N 2.83Å; A659-V663 VanDerWaalsContact O-N 3.1Å; V663-F773 HydrophobicContact CG2-CE2 4.03Å; V663-F773 HydrophobicContact CG2-CZ 4.17Å; V663-I777 HydrophobicContact CB-CD1 4.15Å; V663-I777 HydrophobicContact CB-CG1 4.29Å; V663-I777 HydrophobicContact CG1-CD1 3.9Å; V663-I777 HydrophobicContact CG1-CG1 4.18Å; V663-L793 HydrophobicContact CG1-CD1 4.42Å; V663-L793 HydrophobicContact CG1-CD2 4.12Å; V663-L793 HydrophobicContact CG1-CG 4.12Å; V663-M794 HydrophobicContact CG2-CB 4.49Å; V663-M794 HydrophobicContact CG2-CG 3.69Å |
| 664 | F | 93 | Very high | 89.8 | Confident | 19 Ų | 19 | 12.7 Ų | 12.7 | 8% | 0.083 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 178.3 | -171.9 | -88.5 | 0 | 0 | 0 | 112.1 | R547 L550 K587 G660 M661 A662 G666 I777 | R547-F664 PolarHBondContact NH1-O 2.86Å; L550-F664 HydrophobicContact CB-CD2 4.46Å; L550-F664 HydrophobicContact CB-CE2 4.21Å; L550-F664 HydrophobicContact CD1-CD2 4.26Å; L550-F664 HydrophobicContact CD2-CD2 4.15Å; L550-F664 HydrophobicContact CD2-CE2 4.43Å; K587-F664 HydrophobicContact CB-CD1 4.13Å; K587-F664 HydrophobicContact CB-CE1 3.63Å; K587-F664 HydrophobicContact CB-CE2 4.24Å; K587-F664 HydrophobicContact CB-CZ 3.7Å; K587-F664 HydrophobicContact CD-CD2 4.44Å; K587-F664 HydrophobicContact CD-CE2 4Å; K587-F664 HydrophobicContact CD-CZ 4.25Å; K587-F664 HydrophobicContact CG-CD1 4.32Å; K587-F664 HydrophobicContact CG-CD2 4.17Å; K587-F664 HydrophobicContact CG-CE1 4.15Å; K587-F664 HydrophobicContact CG-CE2 4Å; K587-F664 HydrophobicContact CG-CG 4.34Å; K587-F664 HydrophobicContact CG-CZ 4Å; K587-F664 WeakPolarHBondContact O-CE1 3.21Å; G660-F664 VanDerWaalsContact O-CB 3.29Å; G660-F664 WeakPolarHBondContact O-CB 3.45Å; G660-F664 PolarHBondContact O-N 3.01Å; M661-F664 PolarHBondContact O-N 3.33Å; A662-F664 VanDerWaalsContact C-N 3.33Å; A662-F664 PolarHBondContact O-N 3.24Å; F664-G666 VanDerWaalsContact C-N 3.29Å; F664-G666 PolarHBondContact O-N 2.95Å; F664-I777 HydrophobicContact CB-CD1 3.85Å; F664-I777 HydrophobicContact CD2-CD1 4.3Å |
| 665 | H | 89.3 | Confident | 88.6 | Confident | 41 Ų | 41 | 17.4 Ų | 17.4 | 19% | 0.19 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -84.3 | 2 | -176.8 | -68.2 | -60.9 | 0 | 0 | 0 | 114.1 | L586 A588 M661 A662 K667 | L586-H665 PolarHBondContact O-NE2 3.07Å; A588-H665 PolarHBondContact O-CE1 3.47Å; A588-H665 PolarHBondContact O-NE2 3.46Å; M661-H665 WeakPolarHBondContact O-CB 3.3Å; M661-H665 PolarHBondContact O-CD2 2.93Å; M661-H665 PolarHBondContact O-N 3.18Å; A662-H665 PolarHBondContact O-N 3.43Å; H665-K667 HydrophobicContact CB-CG 4.05Å |
| 666 | G | 86.3 | Confident | 88.1 | Confident | 29 Ų | 29 | 17.3 Ų | 17.3 | 30% | 0.299 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 43.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A662 F664 | A662-G666 PolarHBondContact O-N 3.23Å; F664-G666 VanDerWaalsContact C-N 3.29Å; F664-G666 PolarHBondContact O-N 2.95Å |
| 667 | K | 87.1 | Confident | 87.8 | Confident | 34 Ų | 34 | 17.6 Ų | 17.6 | 15% | 0.148 | 9% | 0.087 | C | C | . | . | trans | -117.3 | 149.5 | 178 | -51.8 | -60.3 | -178.7 | -174.1 | 0 | 109.1 | R607 F610 A662 H665 | R607-K667 HydrophobicContact CG-CD 4.13Å; F610-K667 HydrophobicContact CB-CB 4.48Å; F610-K667 HydrophobicContact CD1-CB 4.49Å; F610-K667 HydrophobicContact CD2-CB 3.73Å; F610-K667 HydrophobicContact CD2-CG 3.61Å; F610-K667 HydrophobicContact CE2-CB 4.01Å; F610-K667 HydrophobicContact CE2-CG 3.63Å; F610-K667 HydrophobicContact CG-CB 4Å; F610-K667 HydrophobicContact CG-CG 4.39Å; F610-K667 HydrophobicContact CZ-CB 4.48Å; F610-K667 HydrophobicContact CZ-CG 4.4Å; A662-K667 CarbonylContact C-O 3.54Å; A662-K667 HydrophobicContact CB-CB 4.46Å; A662-K667 WeakPolarHBondContact CB-O 3.33Å; A662-K667 PolarHBondContact O-N 3.36Å; H665-K667 HydrophobicContact CB-CG 4.05Å | ||
| 668 | L | 84.5 | Confident | 87.3 | Confident | 38 Ų | 38 | 17.1 Ų | 17.1 | 20% | 0.199 | 9% | 0.086 | C | C | . | . | trans | -107.2 | 148.4 | -175.3 | -56.8 | 173.3 | 0 | 0 | 0 | 109.7 | M794 R849 | L668-M794 WeakPolarHBondContact CA-O 3.49Å; L668-R849 HydrophobicContact CB-CB 3.96Å; L668-R849 HydrophobicContact CB-CG 4.42Å; L668-R849 HydrophobicContact CD1-CB 3.6Å; L668-R849 HydrophobicContact CG-CB 4.43Å | ||
| 669 | L | 87.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | trans | -99.6 | 139.4 | 176 | -64.5 | 176.1 | 0 | 0 | 0 | 110.9 | F610 M617 F618 A659 A662 A671 M794 | F610-L669 HydrophobicContact CD1-CD2 4.4Å; M617-L669 HydrophobicContact CE-CD2 4.35Å; F618-L669 HydrophobicContact CE2-CB 4.37Å; F618-L669 HydrophobicContact CE2-CD1 4.29Å; F618-L669 HydrophobicContact CZ-CD1 4.24Å; A659-L669 HydrophobicContact CB-CD1 3.85Å; A662-L669 HydrophobicContact CB-CD2 4.04Å; A662-L669 HydrophobicContact CB-CG 4.07Å; L669-A671 PolarHBondContact O-N 3.06Å; L669-M794 PolarHBondContact N-O 2.95Å | ||
| 670 | D | 83.4 | Confident | 86.8 | Confident | 38 Ų | 38 | 18.4 Ų | 18.4 | 20% | 0.203 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -79.6 | 70.2 | 172 | -154.3 | -20.9 | 0 | 0 | 0 | 110.8 | F611 S614 S848 R849 | F611-D670 HydrophobicContact CD2-CB 4.4Å; F611-D670 WeakPolarHBondContact CE2-OD2 3.48Å; S614-D670 VanDerWaalsContact CB-N 3.28Å; S614-D670 VanDerWaalsContact OG-CB 3.27Å; S614-D670 WeakPolarHBondContact OG-CB 3.42Å; S614-D670 PolarHBondContact OG-N 2.7Å; D670-S848 VanDerWaalsContact CG-OG 3.28Å; D670-S848 WeakPolarHBondContact OD2-CB 3.38Å; D670-S848 PolarHBondContact OD2-OG 2.96Å; D670-R849 VanDerWaalsContact C-NH2 3.34Å; D670-R849 IonicContact OD1-CZ 2.71Å; D670-R849 IonicContact OD1-NH1 2.67Å; D670-R849 PolarHBondContact OD1-NH1 2.96Å; D670-R849 IonicContact OD1-NH2 2.77Å; D670-R849 PolarHBondContact OD1-NH2 2.92Å; D670-R849 IonicContact OD2-NH1 2.7Å |
| 671 | A | 79.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.025 | 9% | 0.092 | C | C | . | . | trans | -140.6 | 165.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F618 L635 L669 F673 C795 R849 | F618-A671 HydrophobicContact CD2-CB 3.6Å; F618-A671 HydrophobicContact CE2-CB 3.76Å; F618-A671 HydrophobicContact CG-CB 4.22Å; F618-A671 HydrophobicContact CZ-CB 4.49Å; L635-A671 HydrophobicContact CD1-CB 4.32Å; L669-A671 PolarHBondContact O-N 3.06Å; A671-F673 HydrophobicContact CB-CE1 4.38Å; A671-F673 HydrophobicContact CB-CE2 3.83Å; A671-F673 HydrophobicContact CB-CZ 3.73Å; A671-C795 WeakPolarHBondContact O-CB 3.46Å; A671-R849 PolarHBondContact O-NH2 3.25Å; A671-R849 VanDerWaalsContact O-NH2 3.1Å | ||
| 672 | F | 76.6 | Confident | 86.4 | Confident | 28 Ų | 28 | 19 Ų | 19 | 12% | 0.123 | 9% | 0.094 | C | C | . | . | trans | -140.9 | 120 | 162.1 | -64.2 | -82.5 | 0 | 0 | 0 | 107.2 | Y633 L635 R849 | Y633-F672 AromaticContact CD1-CD2 3.93Å; Y633-F672 HydrophobicContact CD1-CD2 3.93Å; Y633-F672 HydrophobicContact CD1-CE2 4.48Å; Y633-F672 HydrophobicContact CD1-CG 4.37Å; Y633-F672 AromaticContact CE1-CD2 3.27Å; Y633-F672 HydrophobicContact CE1-CD2 3.27Å; Y633-F672 AromaticContact CE1-CE2 3.42Å; Y633-F672 HydrophobicContact CE1-CE2 3.42Å; Y633-F672 VanDerWaalsContact CE1-CE2 3.42Å; Y633-F672 AromaticContact CE1-CG 3.91Å; Y633-F672 HydrophobicContact CE1-CG 3.91Å; Y633-F672 HydrophobicContact CE1-CZ 4.15Å; Y633-F672 HydrophobicContact CE2-CD2 4.35Å; Y633-F672 HydrophobicContact CE2-CE2 4.31Å; Y633-F672 AromaticContact CZ-CD2 3.55Å; Y633-F672 AromaticContact CZ-CE2 3.33Å; Y633-F672 WeakPolarHBondContact OH-CE2 3.26Å; L635-F672 WeakPolarHBondContact CB-O 3.48Å; L635-F672 PolarHBondContact N-O 2.99Å; F672-R849 VanDerWaalsContact CE2-CZ 3.45Å; F672-R849 VanDerWaalsContact CZ-CZ 3.45Å | ||
| 673 | F | 83.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.022 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 150.7 | 177.7 | -57.2 | -71.5 | 0 | 0 | 0 | 110.8 | F618 F625 L635 A671 F677 Y678 | F618-F673 HydrophobicContact CD1-CE1 4.04Å; F618-F673 AromaticContact CD1-CZ 3.96Å; F618-F673 HydrophobicContact CD1-CZ 3.96Å; F618-F673 AromaticContact CE1-CE1 3.99Å; F618-F673 HydrophobicContact CE1-CE1 3.99Å; F618-F673 AromaticContact CE1-CZ 3.54Å; F618-F673 HydrophobicContact CE1-CZ 3.54Å; F618-F673 HydrophobicContact CE2-CZ 4.29Å; F618-F673 AromaticContact CZ-CZ 3.74Å; F618-F673 HydrophobicContact CZ-CZ 3.74Å; F625-F673 HydrophobicContact CD1-CE1 4.25Å; F625-F673 HydrophobicContact CE1-CD1 4.35Å; F625-F673 AromaticContact CE1-CE1 3.76Å; F625-F673 HydrophobicContact CE1-CE1 3.76Å; F625-F673 HydrophobicContact CZ-CE1 4.3Å; L635-F673 HydrophobicContact CB-CD1 4.01Å; L635-F673 HydrophobicContact CB-CE1 4.34Å; L635-F673 HydrophobicContact CD1-CE1 4.43Å; L635-F673 WeakPolarHBondContact O-CA 3.43Å; A671-F673 HydrophobicContact CB-CE1 4.38Å; A671-F673 HydrophobicContact CB-CE2 3.83Å; A671-F673 HydrophobicContact CB-CZ 3.73Å; F673-F677 HydrophobicContact CB-CB 3.71Å; F673-F677 HydrophobicContact CB-CD1 3.8Å; F673-F677 HydrophobicContact CB-CD2 4.2Å; F673-F677 HydrophobicContact CB-CE1 4.48Å; F673-F677 HydrophobicContact CB-CG 3.66Å; F673-F677 HydrophobicContact CD1-CD2 4.15Å; F673-F677 HydrophobicContact CD1-CE2 4.11Å; F673-F677 HydrophobicContact CD1-CG 4.38Å; F673-F677 HydrophobicContact CD1-CZ 4.3Å; F673-F677 AromaticContact CD2-CD1 3.92Å; F673-F677 HydrophobicContact CD2-CD1 3.92Å; F673-F677 AromaticContact CD2-CE1 3.81Å; F673-F677 HydrophobicContact CD2-CE1 3.81Å; F673-F677 HydrophobicContact CD2-CG 4.49Å; F673-F677 HydrophobicContact CD2-CZ 4.28Å; F673-F677 HydrophobicContact CE1-CE2 4.4Å; F673-F677 HydrophobicContact CE1-CZ 4.38Å; F673-F677 HydrophobicContact CE2-CE1 4.17Å; F673-F677 HydrophobicContact CE2-CZ 4.36Å; F673-F677 AromaticContact CG-CD1 3.83Å; F673-F677 HydrophobicContact CG-CD1 3.83Å; F673-F677 HydrophobicContact CG-CD2 4.17Å; F673-F677 HydrophobicContact CG-CE1 4Å; F673-F677 HydrophobicContact CG-CE2 4.33Å; F673-F677 AromaticContact CG-CG 3.93Å; F673-F677 HydrophobicContact CG-CG 3.93Å; F673-F677 HydrophobicContact CG-CZ 4.25Å; F673-F677 HydrophobicContact CZ-CZ 4.41Å; F673-Y678 HydrophobicContact CB-CE1 4.33Å; F673-Y678 HydrophobicContact CB-CE2 4.04Å; F673-Y678 AromaticContact CD2-CE1 3.87Å; F673-Y678 HydrophobicContact CD2-CE1 3.87Å; F673-Y678 AromaticContact CD2-CZ 3.88Å; F673-Y678 PolarHBondContact N-OH 2.76Å; F673-Y678 VanDerWaalsContact O-CE2 3.29Å; F673-Y678 WeakPolarHBondContact O-CE2 3.42Å |
| 674 | I | 79 | Confident | 86.1 | Confident | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.067 | 14% | 0.137 | C | C | . | . | trans | -56.5 | 141.1 | 172 | 59.3 | 160.6 | 0 | 0 | 0 | 110.9 | L635 Q636 P676 F677 V694 F758 | L635-I674 PolarHBondContact O-N 3.28Å; Q636-I674 HydrophobicContact CB-CD1 3.62Å; Q636-I674 HydrophobicContact CB-CG1 3.9Å; Q636-I674 HydrophobicContact CB-CG2 4.25Å; I674-P676 VanDerWaalsContact C-N 3.28Å; I674-P676 HydrophobicContact CD1-CB 4.19Å; I674-P676 HydrophobicContact CD1-CG 4.2Å; I674-F677 WeakPolarHBondContact O-CB 3.34Å; I674-F677 PolarHBondContact O-N 3.37Å; I674-V694 HydrophobicContact CB-CG2 3.67Å; I674-V694 HydrophobicContact CD1-CG1 4.27Å; I674-V694 HydrophobicContact CD1-CG2 4.11Å; I674-V694 HydrophobicContact CG2-CB 4.38Å; I674-V694 HydrophobicContact CG2-CG1 3.94Å; I674-V694 HydrophobicContact CG2-CG2 3.68Å; I674-F758 HydrophobicContact CD1-CD1 3.88Å; I674-F758 HydrophobicContact CD1-CE1 3.74Å | ||
| 675 | R | 72.8 | Confident | 85.8 | Confident | 98 Ų | 98 | 32.3 Ų | 32.3 | 37% | 0.37 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -49 | -36.7 | -177.1 | -171.8 | 175.3 | -179.8 | 167.1 | 0.6 | 115.2 | F677 Y678 K679 D690 E787 | R675-F677 PolarHBondContact O-N 3.33Å; R675-Y678 PolarHBondContact O-N 3.08Å; R675-K679 PolarHBondContact O-N 3.34Å; R675-K679 VanDerWaalsContact O-N 3.15Å; R675-D690 WeakPolarHBondContact CD-OD1 3.49Å; R675-D690 IonicContact NE-OD1 3.19Å; R675-E787 HydrophobicContact CG-CG 3.91Å; R675-E787 IonicContact CZ-OE1 3.38Å; R675-E787 IonicContact NE-OE1 3.91Å; R675-E787 PolarHBondContact NE-OE1 3.09Å; R675-E787 VanDerWaalsContact NE-OE1 3.15Å; R675-E787 IonicContact NH2-OE1 3.45Å; R675-E787 PolarHBondContact NH2-OE1 2.87Å |
| 676 | P | 85.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -51.7 | -34.7 | 169.9 | -32.4 | 39.2 | 0 | 0 | 0 | 115.2 | I674 K679 M680 I686 D690 F758 | I674-P676 VanDerWaalsContact C-N 3.28Å; I674-P676 HydrophobicContact CD1-CB 4.19Å; I674-P676 HydrophobicContact CD1-CG 4.2Å; P676-K679 PolarHBondContact O-N 3.47Å; P676-M680 WeakPolarHBondContact O-CB 3.47Å; P676-M680 WeakPolarHBondContact O-CG 3.4Å; P676-M680 PolarHBondContact O-N 3.05Å; P676-I686 HydrophobicContact CB-CD1 3.98Å; P676-I686 HydrophobicContact CB-CG1 4.2Å; P676-I686 HydrophobicContact CB-CG2 4.46Å; P676-I686 HydrophobicContact CG-CG2 4.22Å; P676-D690 HydrophobicContact CG-CB 4Å; P676-F758 HydrophobicContact CB-CB 4.28Å; P676-F758 HydrophobicContact CB-CD1 3.98Å; P676-F758 HydrophobicContact CB-CE1 4.48Å; P676-F758 HydrophobicContact CB-CG 4.07Å; P676-F758 HydrophobicContact CG-CD1 3.87Å; P676-F758 HydrophobicContact CG-CD2 4.22Å; P676-F758 HydrophobicContact CG-CE1 3.9Å; P676-F758 HydrophobicContact CG-CE2 4.2Å; P676-F758 HydrophobicContact CG-CG 4.05Å; P676-F758 HydrophobicContact CG-CZ 4.05Å |
| 677 | F | 90.3 | Very high | 85.2 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -52.5 | 179.5 | -173.9 | -82.9 | 0 | 0 | 0 | 111.7 | F625 I637 F673 I674 R675 M680 M681 M766 F769 | F625-F677 HydrophobicContact CE1-CE2 4.49Å; I637-F677 HydrophobicContact CD1-CD2 4.45Å; I637-F677 HydrophobicContact CD1-CE2 4.03Å; I637-F677 HydrophobicContact CG1-CD2 4.46Å; I637-F677 HydrophobicContact CG1-CE2 4.19Å; F673-F677 HydrophobicContact CB-CB 3.71Å; F673-F677 HydrophobicContact CB-CD1 3.8Å; F673-F677 HydrophobicContact CB-CD2 4.2Å; F673-F677 HydrophobicContact CB-CE1 4.48Å; F673-F677 HydrophobicContact CB-CG 3.66Å; F673-F677 HydrophobicContact CD1-CD2 4.15Å; F673-F677 HydrophobicContact CD1-CE2 4.11Å; F673-F677 HydrophobicContact CD1-CG 4.38Å; F673-F677 HydrophobicContact CD1-CZ 4.3Å; F673-F677 AromaticContact CD2-CD1 3.92Å; F673-F677 HydrophobicContact CD2-CD1 3.92Å; F673-F677 AromaticContact CD2-CE1 3.81Å; F673-F677 HydrophobicContact CD2-CE1 3.81Å; F673-F677 HydrophobicContact CD2-CG 4.49Å; F673-F677 HydrophobicContact CD2-CZ 4.28Å; F673-F677 HydrophobicContact CE1-CE2 4.4Å; F673-F677 HydrophobicContact CE1-CZ 4.38Å; F673-F677 HydrophobicContact CE2-CE1 4.17Å; F673-F677 HydrophobicContact CE2-CZ 4.36Å; F673-F677 AromaticContact CG-CD1 3.83Å; F673-F677 HydrophobicContact CG-CD1 3.83Å; F673-F677 HydrophobicContact CG-CD2 4.17Å; F673-F677 HydrophobicContact CG-CE1 4Å; F673-F677 HydrophobicContact CG-CE2 4.33Å; F673-F677 AromaticContact CG-CG 3.93Å; F673-F677 HydrophobicContact CG-CG 3.93Å; F673-F677 HydrophobicContact CG-CZ 4.25Å; F673-F677 HydrophobicContact CZ-CZ 4.41Å; I674-F677 WeakPolarHBondContact O-CB 3.34Å; I674-F677 PolarHBondContact O-N 3.37Å; R675-F677 PolarHBondContact O-N 3.33Å; F677-M680 WeakPolarHBondContact O-CB 3.46Å; F677-M680 PolarHBondContact O-N 2.86Å; F677-M681 HydrophobicContact CD1-SD 4.04Å; F677-M681 HydrophobicContact CE1-CG 4.5Å; F677-M681 HydrophobicContact CE1-SD 3.68Å; F677-M681 PolarHBondContact O-N 2.73Å; F677-M681 VanDerWaalsContact O-N 3.1Å; F677-M766 HydrophobicContact CB-CE 4.41Å; F677-M766 HydrophobicContact CD1-CE 4.37Å; F677-M766 HydrophobicContact CD2-CE 3.37Å; F677-M766 HydrophobicContact CE2-CE 3.6Å; F677-M766 HydrophobicContact CG-CE 3.79Å; F677-M766 HydrophobicContact CZ-CE 4.19Å; F677-F769 HydrophobicContact CE1-CD1 4.49Å; F677-F769 AromaticContact CE1-CE1 3.79Å; F677-F769 HydrophobicContact CE1-CE1 3.79Å; F677-F769 HydrophobicContact CE1-CZ 4.01Å; F677-F769 AromaticContact CZ-CD1 3.92Å; F677-F769 HydrophobicContact CZ-CD1 3.92Å; F677-F769 HydrophobicContact CZ-CD2 4.49Å; F677-F769 AromaticContact CZ-CE1 3.56Å; F677-F769 HydrophobicContact CZ-CE1 3.56Å; F677-F769 HydrophobicContact CZ-CE2 4.17Å; F677-F769 HydrophobicContact CZ-CG 4.39Å; F677-F769 AromaticContact CZ-CZ 3.7Å; F677-F769 HydrophobicContact CZ-CZ 3.7Å |
| 678 | Y | 88 | Confident | 84.6 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.6 | -38.5 | 178.7 | -51 | -67.6 | 0 | 0 | 0 | 111.6 | F673 R675 M680 M681 L682 L790 E791 M794 | F673-Y678 HydrophobicContact CB-CE1 4.33Å; F673-Y678 HydrophobicContact CB-CE2 4.04Å; F673-Y678 AromaticContact CD2-CE1 3.87Å; F673-Y678 HydrophobicContact CD2-CE1 3.87Å; F673-Y678 AromaticContact CD2-CZ 3.88Å; F673-Y678 PolarHBondContact N-OH 2.76Å; F673-Y678 VanDerWaalsContact O-CE2 3.29Å; F673-Y678 WeakPolarHBondContact O-CE2 3.42Å; R675-Y678 PolarHBondContact O-N 3.08Å; Y678-M680 VanDerWaalsContact C-N 3.31Å; Y678-M680 PolarHBondContact O-N 2.83Å; Y678-M681 WeakPolarHBondContact O-CB 3.37Å; Y678-M681 PolarHBondContact O-N 3.01Å; Y678-M681 VanDerWaalsContact O-N 3.13Å; Y678-L682 WeakPolarHBondContact O-CG 3.48Å; Y678-L682 PolarHBondContact O-N 3.18Å; Y678-L790 HydrophobicContact CD1-CD2 4.48Å; Y678-L790 HydrophobicContact CD1-CG 4.23Å; Y678-E791 HydrophobicContact CD1-CB 4.44Å; Y678-E791 HydrophobicContact CD2-CB 4.07Å; Y678-E791 HydrophobicContact CE1-CB 3.99Å; Y678-E791 HydrophobicContact CE2-CB 3.58Å; Y678-E791 VanDerWaalsContact CE2-CD 3.45Å; Y678-E791 HydrophobicContact CE2-CG 3.89Å; Y678-E791 VanDerWaalsContact CE2-OE1 3.27Å; Y678-E791 WeakPolarHBondContact CE2-OE1 3.42Å; Y678-E791 HydrophobicContact CG-CB 4.46Å; Y678-E791 VanDerWaalsContact OH-CD 3.3Å; Y678-E791 WeakPolarHBondContact OH-CG 3.11Å; Y678-E791 PolarHBondContact OH-OE1 3.37Å; Y678-M794 HydrophobicContact CD1-SD 4.46Å; Y678-M794 HydrophobicContact CE1-SD 4.37Å |
| 679 | K | 87.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -41.9 | 171.9 | -77.8 | -175.4 | 166.3 | -176.7 | 0 | 112.1 | R675 P676 M681 L682 Q683 K684 I686 D690 E787 | R675-K679 PolarHBondContact O-N 3.34Å; R675-K679 VanDerWaalsContact O-N 3.15Å; P676-K679 PolarHBondContact O-N 3.47Å; K679-M681 PolarHBondContact O-N 2.75Å; K679-L682 PolarHBondContact O-N 3.33Å; K679-Q683 PolarHBondContact O-N 3.43Å; K679-K684 HydrophobicContact CB-CB 4.18Å; K679-K684 HydrophobicContact CG-CB 4.18Å; K679-K684 PolarHBondContact O-N 2.77Å; K679-I686 HydrophobicContact CB-CG1 4.42Å; K679-D690 WeakPolarHBondContact CD-OD2 3.29Å; K679-D690 WeakPolarHBondContact CE-OD1 3.11Å; K679-D690 IonicContact NZ-OD1 3.22Å; K679-D690 PolarHBondContact NZ-OD1 3.33Å; K679-D690 IonicContact NZ-OD2 2.73Å; K679-D690 PolarHBondContact NZ-OD2 3.32Å; K679-E787 WeakPolarHBondContact CE-OE1 3.3Å; K679-E787 HydrophobicContact CG-CB 3.95Å; K679-E787 HydrophobicContact CG-CG 4Å; K679-E787 IonicContact NZ-OE1 3.91Å |
| 680 | M | 93 | Very high | 83 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 174.4 | -72.5 | 171.9 | 96.7 | 0 | 0 | 112.3 | P676 F677 Y678 Q683 I686 F758 V759 I762 M766 K770 | P676-M680 WeakPolarHBondContact O-CB 3.47Å; P676-M680 WeakPolarHBondContact O-CG 3.4Å; P676-M680 PolarHBondContact O-N 3.05Å; F677-M680 WeakPolarHBondContact O-CB 3.46Å; F677-M680 PolarHBondContact O-N 2.86Å; Y678-M680 VanDerWaalsContact C-N 3.31Å; Y678-M680 PolarHBondContact O-N 2.83Å; M680-Q683 PolarHBondContact O-N 2.86Å; M680-I686 HydrophobicContact CG-CD1 4.06Å; M680-F758 WeakPolarHBondContact CE-O 3.32Å; M680-V759 HydrophobicContact CE-CB 4.09Å; M680-V759 HydrophobicContact CE-CG1 3.92Å; M680-V759 HydrophobicContact CE-CG2 4.07Å; M680-I762 HydrophobicContact CE-CD1 4.13Å; M680-I762 HydrophobicContact CE-CG1 4.19Å; M680-I762 HydrophobicContact SD-CD1 4.08Å; M680-M766 HydrophobicContact CB-CE 4.17Å; M680-M766 HydrophobicContact CB-CG 4.38Å; M680-M766 HydrophobicContact CB-SD 4.42Å; M680-M766 HydrophobicContact CE-CB 4.16Å; M680-M766 HydrophobicContact CE-CG 3.75Å; M680-M766 HydrophobicContact SD-CE 3.96Å; M680-M766 HydrophobicContact SD-CG 4.21Å; M680-K770 WeakPolarHBondContact O-CE 3.09Å; M680-K770 PolarHBondContact O-NZ 2.7Å |
| 681 | M | 93.5 | Very high | 82.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.2 | -68.7 | 179.3 | 71 | 0 | 0 | 111.7 | F677 Y678 K679 Q683 F769 F773 L790 M794 | F677-M681 HydrophobicContact CD1-SD 4.04Å; F677-M681 HydrophobicContact CE1-CG 4.5Å; F677-M681 HydrophobicContact CE1-SD 3.68Å; F677-M681 PolarHBondContact O-N 2.73Å; F677-M681 VanDerWaalsContact O-N 3.1Å; Y678-M681 WeakPolarHBondContact O-CB 3.37Å; Y678-M681 PolarHBondContact O-N 3.01Å; Y678-M681 VanDerWaalsContact O-N 3.13Å; K679-M681 PolarHBondContact O-N 2.75Å; M681-Q683 PolarHBondContact O-N 3.3Å; M681-F769 HydrophobicContact CE-CE1 3.97Å; M681-F769 HydrophobicContact CG-CE1 4.37Å; M681-F769 HydrophobicContact SD-CE1 3.81Å; M681-F773 HydrophobicContact CE-CD1 3.76Å; M681-F773 HydrophobicContact CE-CD2 4.08Å; M681-F773 HydrophobicContact CE-CE1 3.59Å; M681-F773 HydrophobicContact CE-CE2 3.93Å; M681-F773 HydrophobicContact CE-CG 4Å; M681-F773 HydrophobicContact CE-CZ 3.68Å; M681-L790 HydrophobicContact CB-CD2 3.86Å; M681-L790 HydrophobicContact CE-CD2 4.31Å; M681-L790 HydrophobicContact SD-CD2 4.14Å; M681-M794 HydrophobicContact CE-CE 4.26Å; M681-M794 HydrophobicContact CE-SD 3.76Å; M681-M794 HydrophobicContact SD-CE 4.29Å; M681-M794 HydrophobicContact SD-SD 3.93Å |
| 682 | L | 90.3 | Very high | 81.8 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.1 | -11.2 | 179.1 | -66.4 | 168 | 0 | 0 | 0 | 114.1 | Y678 K679 K684 I782 F785 D786 E787 L790 | Y678-L682 WeakPolarHBondContact O-CG 3.48Å; Y678-L682 PolarHBondContact O-N 3.18Å; K679-L682 PolarHBondContact O-N 3.33Å; L682-K684 VanDerWaalsContact C-N 3.29Å; L682-K684 HydrophobicContact CB-CD 4.38Å; L682-K684 HydrophobicContact CB-CG 3.99Å; L682-K684 HydrophobicContact CD1-CD 4.3Å; L682-I782 HydrophobicContact CD2-CG2 3.84Å; L682-I782 VanDerWaalsContact CD2-O 3.28Å; L682-I782 WeakPolarHBondContact CD2-O 3.25Å; L682-F785 WeakPolarHBondContact CD2-O 3.44Å; L682-D786 VanDerWaalsContact CD1-C 3.45Å; L682-E787 HydrophobicContact CD1-CB 4.03Å; L682-L790 HydrophobicContact CD1-CB 4.42Å; L682-L790 HydrophobicContact CD1-CD2 4.18Å; L682-L790 HydrophobicContact CD2-CD2 4.07Å; L682-L790 HydrophobicContact CG-CD2 3.79Å |
| 683 | Q | 91.5 | Very high | 80.7 | Confident | 123 Ų | 123 | 40.9 Ų | 40.9 | 58% | 0.575 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 35.7 | -170.1 | -52.8 | -171.2 | -54.3 | 0 | 0 | 113.3 | K679 M680 M681 | K679-Q683 PolarHBondContact O-N 3.43Å; M680-Q683 PolarHBondContact O-N 2.86Å; M681-Q683 PolarHBondContact O-N 3.3Å |
| 684 | K | 87.2 | Confident | 79.7 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -83.4 | 149.9 | 169.6 | -68.3 | -174.3 | 179.7 | -170.3 | 0 | 110.6 | K679 L682 E787 | K679-K684 HydrophobicContact CB-CB 4.18Å; K679-K684 HydrophobicContact CG-CB 4.18Å; K679-K684 PolarHBondContact O-N 2.77Å; L682-K684 VanDerWaalsContact C-N 3.29Å; L682-K684 HydrophobicContact CB-CD 4.38Å; L682-K684 HydrophobicContact CB-CG 3.99Å; L682-K684 HydrophobicContact CD1-CD 4.3Å; K684-E787 VanDerWaalsContact CD-OE2 3.28Å; K684-E787 WeakPolarHBondContact CD-OE2 3.44Å; K684-E787 WeakPolarHBondContact CE-OE2 3.31Å; K684-E787 IonicContact NZ-OE2 3.53Å; K684-E787 PolarHBondContact NZ-OE2 3.27Å |
| 685 | P | 86 | Confident | 79.1 | Confident | 102 Ų | 102 | 41.2 Ų | 41.2 | 66% | 0.662 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -65.3 | 143.1 | 170.2 | 29.1 | -34.7 | 0 | 0 | 0 | 110.8 | ||
| 686 | I | 85.1 | Confident | 78.6 | Confident | 33 Ų | 33 | 39.2 Ų | 39.2 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -87 | 137.3 | 169.9 | -61.6 | 161 | 0 | 0 | 0 | 107 | P676 K679 M680 D690 M754 F758 V759 | P676-I686 HydrophobicContact CB-CD1 3.98Å; P676-I686 HydrophobicContact CB-CG1 4.2Å; P676-I686 HydrophobicContact CB-CG2 4.46Å; P676-I686 HydrophobicContact CG-CG2 4.22Å; K679-I686 HydrophobicContact CB-CG1 4.42Å; M680-I686 HydrophobicContact CG-CD1 4.06Å; I686-D690 WeakPolarHBondContact CA-OD2 3.24Å; I686-D690 HydrophobicContact CG2-CB 4.03Å; I686-D690 WeakPolarHBondContact CG2-OD2 3.45Å; I686-M754 HydrophobicContact CG2-CE 3.74Å; I686-F758 HydrophobicContact CD1-CB 3.78Å; I686-F758 HydrophobicContact CG2-CD2 3.85Å; I686-F758 HydrophobicContact CG2-CE2 4.39Å; I686-V759 HydrophobicContact CD1-CG2 3.64Å |
| 687 | T | 78.2 | Confident | 77.7 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 41% | 0.405 | 24% | 0.235 | S | C | . | . | trans | -120.1 | 159.5 | -176.8 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | Q689 D690 M754 | T687-Q689 PolarHBondContact O-N 2.92Å; T687-D690 PolarHBondContact N-OD2 2.79Å; T687-D690 WeakPolarHBondContact O-CB 3.35Å; T687-D690 PolarHBondContact O-N 2.84Å; T687-M754 WeakPolarHBondContact O-CE 3.42Å | ||
| 688 | L | 75.1 | Confident | 77 | Confident | 32 Ų | 32 | 44.6 Ų | 44.6 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -50.8 | -35.3 | 179.5 | 179.6 | 59.6 | 0 | 0 | 0 | 112.6 | D690 M691 F699 L702 L706 I750 M754 | L688-D690 PolarHBondContact O-N 2.78Å; L688-M691 VanDerWaalsContact O-CB 3.24Å; L688-M691 WeakPolarHBondContact O-CB 3.39Å; L688-M691 PolarHBondContact O-N 3.39Å; L688-F699 HydrophobicContact CD1-CD2 3.95Å; L688-F699 HydrophobicContact CD1-CE2 4.44Å; L688-F699 HydrophobicContact CG-CD2 3.96Å; L688-F699 HydrophobicContact CG-CE2 3.94Å; L688-F699 VanDerWaalsContact O-CD2 3.29Å; L688-F699 WeakPolarHBondContact O-CD2 3.29Å; L688-L702 HydrophobicContact CD1-CB 3.65Å; L688-L702 HydrophobicContact CD1-CD1 4.04Å; L688-L706 HydrophobicContact CD2-CD2 3.82Å; L688-I750 HydrophobicContact CD1-CG2 4.25Å; L688-M754 HydrophobicContact CD1-SD 4.06Å |
| 689 | Q | 67.6 | Low | 76.2 | Confident | 110 Ų | 110 | 45 Ų | 45 | 51% | 0.514 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.5 | -23.2 | 176.2 | -170.5 | 56.9 | 55.8 | 0 | 0 | 114.5 | T687 M691 E692 | T687-Q689 PolarHBondContact O-N 2.92Å; Q689-M691 VanDerWaalsContact C-N 3.31Å; Q689-E692 PolarHBondContact NE2-OE2 2.72Å |
| 690 | D | 70.8 | Confident | 75.6 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71 | -28.9 | 173 | -61.3 | -48.4 | 0 | 0 | 0 | 111.6 | R675 P676 K679 I686 T687 L688 E692 S693 | R675-D690 WeakPolarHBondContact CD-OD1 3.49Å; R675-D690 IonicContact NE-OD1 3.19Å; P676-D690 HydrophobicContact CG-CB 4Å; K679-D690 WeakPolarHBondContact CD-OD2 3.29Å; K679-D690 WeakPolarHBondContact CE-OD1 3.11Å; K679-D690 IonicContact NZ-OD1 3.22Å; K679-D690 PolarHBondContact NZ-OD1 3.33Å; K679-D690 IonicContact NZ-OD2 2.73Å; K679-D690 PolarHBondContact NZ-OD2 3.32Å; I686-D690 WeakPolarHBondContact CA-OD2 3.24Å; I686-D690 HydrophobicContact CG2-CB 4.03Å; I686-D690 WeakPolarHBondContact CG2-OD2 3.45Å; T687-D690 PolarHBondContact N-OD2 2.79Å; T687-D690 WeakPolarHBondContact O-CB 3.35Å; T687-D690 PolarHBondContact O-N 2.84Å; L688-D690 PolarHBondContact O-N 2.78Å; D690-E692 PolarHBondContact O-N 3.06Å; D690-S693 PolarHBondContact O-N 2.72Å; D690-S693 PolarHBondContact O-OG 3.36Å |
| 691 | M | 73.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | -179.9 | -171.2 | 71.3 | 76.7 | 0 | 0 | 111.5 | L688 Q689 S693 V694 D695 Y698 F699 L702 M754 R757 F758 | L688-M691 VanDerWaalsContact O-CB 3.24Å; L688-M691 WeakPolarHBondContact O-CB 3.39Å; L688-M691 PolarHBondContact O-N 3.39Å; Q689-M691 VanDerWaalsContact C-N 3.31Å; M691-S693 PolarHBondContact O-N 3.08Å; M691-V694 PolarHBondContact O-N 2.78Å; M691-D695 CarbonylContact O-C 3.33Å; M691-D695 PolarHBondContact O-N 3.14Å; M691-D695 HydrophobicContact SD-CB 4.09Å; M691-Y698 HydrophobicContact CE-CD1 3.58Å; M691-Y698 HydrophobicContact CE-CE1 3.88Å; M691-Y698 HydrophobicContact CG-CD1 4.39Å; M691-Y698 HydrophobicContact SD-CD1 3.87Å; M691-F699 HydrophobicContact CB-CB 4.08Å; M691-F699 HydrophobicContact CB-CD2 4.27Å; M691-F699 HydrophobicContact CG-CB 3.87Å; M691-L702 HydrophobicContact CE-CD1 4.07Å; M691-M754 HydrophobicContact CB-CE 4.14Å; M691-M754 HydrophobicContact CB-SD 4Å; M691-M754 HydrophobicContact CE-CE 4.22Å; M691-M754 HydrophobicContact CE-SD 3.4Å; M691-M754 WeakPolarHBondContact CE-SD 3.35Å; M691-R757 HydrophobicContact CE-CB 4.47Å; M691-R757 HydrophobicContact CE-CG 3.99Å; M691-F758 HydrophobicContact CB-CE2 4.41Å; M691-F758 HydrophobicContact CE-CD2 4.31Å; M691-F758 HydrophobicContact CE-CE2 3.53Å; M691-F758 HydrophobicContact CE-CZ 4.01Å; M691-F758 HydrophobicContact SD-CE2 3.67Å; M691-F758 HydrophobicContact SD-CZ 3.54Å; M691-F758 VanDerWaalsContact SD-CZ 3.54Å |
| 692 | E | 64.4 | Low | 74.8 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53 | -33.8 | -178.5 | -169.9 | 173.7 | -147.1 | 0 | 0 | 112.7 | Q689 D690 F699 | Q689-E692 PolarHBondContact NE2-OE2 2.72Å; D690-E692 PolarHBondContact O-N 3.06Å; E692-F699 HydrophobicContact CB-CB 4.28Å; E692-F699 HydrophobicContact CB-CD1 3.65Å; E692-F699 HydrophobicContact CB-CD2 3.86Å; E692-F699 HydrophobicContact CB-CE1 3.78Å; E692-F699 HydrophobicContact CB-CE2 3.99Å; E692-F699 HydrophobicContact CB-CG 3.66Å; E692-F699 HydrophobicContact CB-CZ 3.94Å; E692-F699 VanDerWaalsContact CD-CE1 3.42Å; E692-F699 HydrophobicContact CG-CD1 3.64Å; E692-F699 HydrophobicContact CG-CE1 3.65Å; E692-F699 HydrophobicContact CG-CG 4.19Å; E692-F699 HydrophobicContact CG-CZ 4.21Å; E692-F699 WeakPolarHBondContact OE1-CE1 3.36Å |
| 693 | S | 53.8 | Low | 74.3 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -75.2 | -24.9 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | T630 D690 M691 | T630-S693 PolarHBondContact OG1-O 3.34Å; D690-S693 PolarHBondContact O-N 2.72Å; D690-S693 PolarHBondContact O-OG 3.36Å; M691-S693 PolarHBondContact O-N 3.08Å |
| 694 | V | 61.3 | Low | 74.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -105.5 | -35.7 | -173.5 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | A629 T630 I674 M691 F758 | A629-V694 PolarHBondContact N-O 3.13Å; A629-V694 VanDerWaalsContact N-O 3.1Å; T630-V694 PolarHBondContact N-O 3.42Å; T630-V694 PolarHBondContact OG1-O 2.63Å; I674-V694 HydrophobicContact CB-CG2 3.67Å; I674-V694 HydrophobicContact CD1-CG1 4.27Å; I674-V694 HydrophobicContact CD1-CG2 4.11Å; I674-V694 HydrophobicContact CG2-CB 4.38Å; I674-V694 HydrophobicContact CG2-CG1 3.94Å; I674-V694 HydrophobicContact CG2-CG2 3.68Å; M691-V694 PolarHBondContact O-N 2.78Å; V694-F758 HydrophobicContact CB-CE1 4.21Å; V694-F758 HydrophobicContact CB-CZ 4.1Å; V694-F758 HydrophobicContact CG1-CE1 4.07Å; V694-F758 HydrophobicContact CG1-CZ 4.4Å; V694-F758 HydrophobicContact CG2-CE1 4.04Å; V694-F758 HydrophobicContact CG2-CZ 4.03Å |
| 695 | D | 66.8 | Low | 74.3 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | trans | -154.7 | 85.3 | -176.1 | -163.2 | -36.1 | 0 | 0 | 0 | 108.9 | A629 M691 E697 Y698 F699 | A629-D695 HydrophobicContact CB-CB 4.37Å; M691-D695 CarbonylContact O-C 3.33Å; M691-D695 PolarHBondContact O-N 3.14Å; M691-D695 HydrophobicContact SD-CB 4.09Å; D695-E697 PolarHBondContact O-N 3.42Å; D695-E697 PolarHBondContact OD1-N 2.88Å; D695-Y698 VanDerWaalsContact CG-CB 3.44Å; D695-Y698 WeakPolarHBondContact OD1-CB 3.2Å; D695-Y698 PolarHBondContact OD1-N 2.88Å; D695-F699 VanDerWaalsContact O-CB 3.29Å; D695-F699 WeakPolarHBondContact O-CB 3.39Å; D695-F699 PolarHBondContact O-N 3.36Å | ||
| 696 | S | 62 | Low | 74.4 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 39% | 0.392 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -22.8 | -179.5 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | N700 | S696-N700 VanDerWaalsContact O-CG 3.22Å; S696-N700 PolarHBondContact O-N 2.84Å; S696-N700 PolarHBondContact O-ND2 3.38Å |
| 697 | E | 66.3 | Low | 74.5 | Confident | 109 Ų | 109 | 49.2 Ų | 49.2 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -78.4 | -51.1 | -179.4 | -169.6 | 154 | -117.6 | 0 | 0 | 110.4 | I38 D695 F699 N700 S701 | I38-E697 HydrophobicContact CD1-CG 4.11Å; D695-E697 PolarHBondContact O-N 3.42Å; D695-E697 PolarHBondContact OD1-N 2.88Å; E697-F699 VanDerWaalsContact C-N 3.29Å; E697-F699 PolarHBondContact O-N 3.44Å; E697-N700 WeakPolarHBondContact O-CB 3.18Å; E697-N700 PolarHBondContact O-N 3.45Å; E697-N700 VanDerWaalsContact O-N 3.08Å; E697-S701 PolarHBondContact O-N 2.96Å; E697-S701 VanDerWaalsContact O-N 3.17Å |
| 698 | Y | 75.4 | Confident | 75 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -34 | 174.1 | -161 | -115.4 | 0 | 0 | 0 | 112.5 | I38 L39 M691 D695 S701 L702 V753 | I38-Y698 HydrophobicContact CB-CD2 4.03Å; I38-Y698 HydrophobicContact CB-CE2 4.25Å; I38-Y698 HydrophobicContact CD1-CD2 4.12Å; I38-Y698 HydrophobicContact CG2-CD2 3.55Å; I38-Y698 HydrophobicContact CG2-CE2 3.7Å; L39-Y698 HydrophobicContact CD2-CE2 4.39Å; M691-Y698 HydrophobicContact CE-CD1 3.58Å; M691-Y698 HydrophobicContact CE-CE1 3.88Å; M691-Y698 HydrophobicContact CG-CD1 4.39Å; M691-Y698 HydrophobicContact SD-CD1 3.87Å; D695-Y698 VanDerWaalsContact CG-CB 3.44Å; D695-Y698 WeakPolarHBondContact OD1-CB 3.2Å; D695-Y698 PolarHBondContact OD1-N 2.88Å; Y698-S701 PolarHBondContact O-N 3.42Å; Y698-L702 HydrophobicContact CD1-CD1 3.81Å; Y698-L702 HydrophobicContact CD1-CG 4.39Å; Y698-L702 HydrophobicContact CE1-CD1 3.75Å; Y698-L702 HydrophobicContact CE1-CG 4.34Å; Y698-L702 WeakPolarHBondContact O-CG 3.16Å; Y698-L702 PolarHBondContact O-N 2.96Å; Y698-V753 HydrophobicContact CE1-CG1 3.63Å; Y698-V753 WeakPolarHBondContact OH-CG1 3.17Å |
| 699 | F | 72.3 | Confident | 75.6 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 4% | 0.044 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 168.9 | 169.4 | -105.9 | 0 | 0 | 0 | 112.5 | L688 M691 E692 D695 E697 S701 L702 K703 | L688-F699 HydrophobicContact CD1-CD2 3.95Å; L688-F699 HydrophobicContact CD1-CE2 4.44Å; L688-F699 HydrophobicContact CG-CD2 3.96Å; L688-F699 HydrophobicContact CG-CE2 3.94Å; L688-F699 VanDerWaalsContact O-CD2 3.29Å; L688-F699 WeakPolarHBondContact O-CD2 3.29Å; M691-F699 HydrophobicContact CB-CB 4.08Å; M691-F699 HydrophobicContact CB-CD2 4.27Å; M691-F699 HydrophobicContact CG-CB 3.87Å; E692-F699 HydrophobicContact CB-CB 4.28Å; E692-F699 HydrophobicContact CB-CD1 3.65Å; E692-F699 HydrophobicContact CB-CD2 3.86Å; E692-F699 HydrophobicContact CB-CE1 3.78Å; E692-F699 HydrophobicContact CB-CE2 3.99Å; E692-F699 HydrophobicContact CB-CG 3.66Å; E692-F699 HydrophobicContact CB-CZ 3.94Å; E692-F699 VanDerWaalsContact CD-CE1 3.42Å; E692-F699 HydrophobicContact CG-CD1 3.64Å; E692-F699 HydrophobicContact CG-CE1 3.65Å; E692-F699 HydrophobicContact CG-CG 4.19Å; E692-F699 HydrophobicContact CG-CZ 4.21Å; E692-F699 WeakPolarHBondContact OE1-CE1 3.36Å; D695-F699 VanDerWaalsContact O-CB 3.29Å; D695-F699 WeakPolarHBondContact O-CB 3.39Å; D695-F699 PolarHBondContact O-N 3.36Å; E697-F699 VanDerWaalsContact C-N 3.29Å; E697-F699 PolarHBondContact O-N 3.44Å; F699-S701 VanDerWaalsContact C-N 3.35Å; F699-S701 PolarHBondContact O-N 2.71Å; F699-L702 PolarHBondContact O-N 2.8Å; F699-K703 HydrophobicContact CE1-CD 4.2Å; F699-K703 HydrophobicContact CZ-CD 4.14Å; F699-K703 WeakPolarHBondContact O-CB 3.47Å; F699-K703 PolarHBondContact O-N 3.45Å |
| 700 | N | 73.8 | Confident | 76.6 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 179.2 | -76.2 | -38.2 | 0 | 0 | 0 | 111.7 | S696 E697 K703 W704 | S696-N700 VanDerWaalsContact O-CG 3.22Å; S696-N700 PolarHBondContact O-N 2.84Å; S696-N700 PolarHBondContact O-ND2 3.38Å; E697-N700 WeakPolarHBondContact O-CB 3.18Å; E697-N700 PolarHBondContact O-N 3.45Å; E697-N700 VanDerWaalsContact O-N 3.08Å; N700-K703 PolarHBondContact O-N 2.84Å; N700-W704 WeakPolarHBondContact O-CB 3.45Å; N700-W704 PolarHBondContact O-N 3.08Å |
| 701 | S | 85 | Confident | 77.2 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 176.7 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | E697 Y698 F699 K703 W704 I705 | E697-S701 PolarHBondContact O-N 2.96Å; E697-S701 VanDerWaalsContact O-N 3.17Å; Y698-S701 PolarHBondContact O-N 3.42Å; F699-S701 VanDerWaalsContact C-N 3.35Å; F699-S701 PolarHBondContact O-N 2.71Å; S701-K703 VanDerWaalsContact C-N 3.32Å; S701-K703 PolarHBondContact O-N 3.4Å; S701-W704 PolarHBondContact O-N 3.45Å; S701-I705 WeakPolarHBondContact O-CG1 3.46Å; S701-I705 PolarHBondContact O-N 2.82Å |
| 702 | L | 85.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 175.5 | -68.3 | 176 | 0 | 0 | 0 | 112.5 | L688 M691 Y698 F699 I705 L706 I750 V753 M754 | L688-L702 HydrophobicContact CD1-CB 3.65Å; L688-L702 HydrophobicContact CD1-CD1 4.04Å; M691-L702 HydrophobicContact CE-CD1 4.07Å; Y698-L702 HydrophobicContact CD1-CD1 3.81Å; Y698-L702 HydrophobicContact CD1-CG 4.39Å; Y698-L702 HydrophobicContact CE1-CD1 3.75Å; Y698-L702 HydrophobicContact CE1-CG 4.34Å; Y698-L702 WeakPolarHBondContact O-CG 3.16Å; Y698-L702 PolarHBondContact O-N 2.96Å; F699-L702 PolarHBondContact O-N 2.8Å; L702-I705 PolarHBondContact O-N 2.85Å; L702-L706 PolarHBondContact O-N 3.39Å; L702-I750 HydrophobicContact CB-CG2 4.47Å; L702-I750 HydrophobicContact CD2-CG1 4.2Å; L702-I750 WeakPolarHBondContact O-CD1 3.47Å; L702-V753 HydrophobicContact CD1-CG1 4.01Å; L702-V753 HydrophobicContact CD2-CB 4.39Å; L702-V753 HydrophobicContact CD2-CG1 3.98Å; L702-M754 HydrophobicContact CD1-SD 4.14Å |
| 703 | K | 79.7 | Confident | 78.2 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 173.5 | -177 | 179.7 | 174.4 | -177.5 | 0 | 111.8 | F699 N700 S701 I705 L706 E707 | F699-K703 HydrophobicContact CE1-CD 4.2Å; F699-K703 HydrophobicContact CZ-CD 4.14Å; F699-K703 WeakPolarHBondContact O-CB 3.47Å; F699-K703 PolarHBondContact O-N 3.45Å; N700-K703 PolarHBondContact O-N 2.84Å; S701-K703 VanDerWaalsContact C-N 3.32Å; S701-K703 PolarHBondContact O-N 3.4Å; K703-I705 VanDerWaalsContact C-N 3.32Å; K703-I705 PolarHBondContact O-N 3.42Å; K703-L706 WeakPolarHBondContact O-CB 3.5Å; K703-L706 PolarHBondContact O-N 3.48Å; K703-L706 VanDerWaalsContact O-N 3.1Å; K703-E707 WeakPolarHBondContact CE-OE1 3.27Å; K703-E707 HydrophobicContact CG-CG 4.44Å; K703-E707 IonicContact NZ-OE1 3.57Å; K703-E707 WeakPolarHBondContact O-CG 3.22Å; K703-E707 PolarHBondContact O-N 3.34Å |
| 704 | W | 88 | Confident | 79.7 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 28% | 0.284 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 173.7 | -173 | 97.8 | 0 | 0 | 0 | 110.7 | L99 N700 S701 L706 E707 N708 L713 | L99-W704 HydrophobicContact CD1-CD2 4.3Å; L99-W704 HydrophobicContact CD1-CE3 4.09Å; L99-W704 HydrophobicContact CD2-CD2 3.86Å; L99-W704 HydrophobicContact CD2-CE3 4.05Å; L99-W704 HydrophobicContact CD2-CH2 3.86Å; L99-W704 HydrophobicContact CD2-CZ2 3.6Å; L99-W704 HydrophobicContact CD2-CZ3 4.08Å; N700-W704 WeakPolarHBondContact O-CB 3.45Å; N700-W704 PolarHBondContact O-N 3.08Å; S701-W704 PolarHBondContact O-N 3.45Å; W704-L706 VanDerWaalsContact C-N 3.3Å; W704-L706 PolarHBondContact O-N 3.07Å; W704-E707 PolarHBondContact O-N 2.89Å; W704-N708 HydrophobicContact CD2-CB 3.92Å; W704-N708 HydrophobicContact CE3-CB 4.04Å; W704-N708 HydrophobicContact CH2-CB 3.6Å; W704-N708 HydrophobicContact CZ2-CB 3.49Å; W704-N708 VanDerWaalsContact CZ2-CB 3.49Å; W704-N708 HydrophobicContact CZ3-CB 3.87Å; W704-N708 PolarHBondContact NE1-ND2 3.37Å; W704-N708 WeakPolarHBondContact O-CB 3.39Å; W704-N708 PolarHBondContact O-N 3.4Å; W704-N708 PolarHBondContact O-ND2 3.27Å; W704-L713 HydrophobicContact CE3-CD1 4.25Å; W704-L713 HydrophobicContact CZ3-CD1 3.71Å; W704-L713 HydrophobicContact CZ3-CG 4.4Å |
| 705 | I | 89.8 | Confident | 81 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 175.2 | -66.7 | 163.1 | 0 | 0 | 0 | 110.8 | S701 L702 K703 E707 N708 P710 L713 L715 K746 Y749 I750 | S701-I705 WeakPolarHBondContact O-CG1 3.46Å; S701-I705 PolarHBondContact O-N 2.82Å; L702-I705 PolarHBondContact O-N 2.85Å; K703-I705 VanDerWaalsContact C-N 3.32Å; K703-I705 PolarHBondContact O-N 3.42Å; I705-E707 VanDerWaalsContact C-N 3.34Å; I705-E707 PolarHBondContact O-N 3.4Å; I705-N708 VanDerWaalsContact O-O 3.04Å; I705-P710 HydrophobicContact CG2-CB 4.26Å; I705-L713 HydrophobicContact CG1-CD1 4.34Å; I705-L715 HydrophobicContact CD1-CD1 3.62Å; I705-L715 HydrophobicContact CG1-CD1 4.16Å; I705-K746 HydrophobicContact CG2-CB 4.09Å; I705-K746 WeakPolarHBondContact O-CD 3.49Å; I705-K746 WeakPolarHBondContact O-CE 3.35Å; I705-K746 PolarHBondContact O-NZ 3.15Å; I705-Y749 HydrophobicContact CD1-CE1 4.33Å; I705-I750 HydrophobicContact CB-CD1 4.44Å; I705-I750 HydrophobicContact CG2-CD1 4.08Å; I705-I750 HydrophobicContact CG2-CG1 4.34Å |
| 706 | L | 88.6 | Confident | 82.2 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 177.1 | -172.8 | 59.5 | 0 | 0 | 0 | 112.6 | L688 L702 K703 W704 K746 K747 I750 | L688-L706 HydrophobicContact CD2-CD2 3.82Å; L702-L706 PolarHBondContact O-N 3.39Å; K703-L706 WeakPolarHBondContact O-CB 3.5Å; K703-L706 PolarHBondContact O-N 3.48Å; K703-L706 VanDerWaalsContact O-N 3.1Å; W704-L706 VanDerWaalsContact C-N 3.3Å; W704-L706 PolarHBondContact O-N 3.07Å; L706-K746 WeakPolarHBondContact O-CE 3.34Å; L706-K746 PolarHBondContact O-NZ 2.99Å; L706-K747 HydrophobicContact CD1-CG 3.95Å; L706-I750 HydrophobicContact CB-CD1 3.75Å; L706-I750 HydrophobicContact CD1-CD1 4.04Å; L706-I750 HydrophobicContact CG-CD1 4.45Å |
| 707 | E | 86.9 | Confident | 83.7 | Confident | 129 Ų | 129 | 60.4 Ų | 60.4 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -89.6 | -27.7 | -172.4 | -68.9 | 175 | 170.8 | 0 | 0 | 113.6 | K703 W704 I705 | K703-E707 WeakPolarHBondContact CE-OE1 3.27Å; K703-E707 HydrophobicContact CG-CG 4.44Å; K703-E707 IonicContact NZ-OE1 3.57Å; K703-E707 WeakPolarHBondContact O-CG 3.22Å; K703-E707 PolarHBondContact O-N 3.34Å; W704-E707 PolarHBondContact O-N 2.89Å; I705-E707 VanDerWaalsContact C-N 3.34Å; I705-E707 PolarHBondContact O-N 3.4Å |
| 708 | N | 90.3 | Very high | 85 | Confident | 65 Ų | 65 | 56 Ų | 56 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -118.4 | 173 | -173.5 | -56.9 | -91.9 | 0 | 0 | 0 | 112 | W704 I705 P710 K746 | W704-N708 HydrophobicContact CD2-CB 3.92Å; W704-N708 HydrophobicContact CE3-CB 4.04Å; W704-N708 HydrophobicContact CH2-CB 3.6Å; W704-N708 HydrophobicContact CZ2-CB 3.49Å; W704-N708 VanDerWaalsContact CZ2-CB 3.49Å; W704-N708 HydrophobicContact CZ3-CB 3.87Å; W704-N708 PolarHBondContact NE1-ND2 3.37Å; W704-N708 WeakPolarHBondContact O-CB 3.39Å; W704-N708 PolarHBondContact O-N 3.4Å; W704-N708 PolarHBondContact O-ND2 3.27Å; I705-N708 VanDerWaalsContact O-O 3.04Å; N708-P710 WeakPolarHBondContact O-CD 3.47Å; N708-K746 PolarHBondContact O-NZ 2.91Å |
| 709 | D | 87.6 | Confident | 85.6 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | trans | -83 | 124.3 | 176.6 | -148.1 | -44.1 | 0 | 0 | 0 | 111.2 | E711 N743 | D709-E711 PolarHBondContact OD1-N 2.72Å; D709-N743 WeakPolarHBondContact OD1-CB 3.23Å; D709-N743 VanDerWaalsContact OD2-CB 3.32Å; D709-N743 WeakPolarHBondContact OD2-CB 3.4Å; D709-N743 VanDerWaalsContact OD2-CG 3.27Å; D709-N743 PolarHBondContact OD2-ND2 2.85Å | ||
| 710 | P | 88.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -85.3 | 1.6 | -179.6 | 34 | -36.6 | 0 | 0 | 0 | 115 | I705 N708 D712 L713 L715 V741 K746 | I705-P710 HydrophobicContact CG2-CB 4.26Å; N708-P710 WeakPolarHBondContact O-CD 3.47Å; P710-D712 VanDerWaalsContact C-N 3.31Å; P710-D712 PolarHBondContact O-N 3.13Å; P710-L713 HydrophobicContact CB-CD1 4.35Å; P710-L713 VanDerWaalsContact O-CB 3.3Å; P710-L713 WeakPolarHBondContact O-CB 3.38Å; P710-L713 PolarHBondContact O-N 3.18Å; P710-L715 HydrophobicContact CB-CD1 4.41Å; P710-V741 HydrophobicContact CB-CG1 4.44Å; P710-V741 HydrophobicContact CG-CG1 4.01Å; P710-K746 HydrophobicContact CG-CB 4.15Å; P710-K746 HydrophobicContact CG-CD 4.28Å | ||
| 711 | E | 81.5 | Confident | 86.4 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 70% | 0.696 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -56.1 | -40.4 | -173.8 | -169.9 | 166.3 | -142.5 | 0 | 0 | 113.4 | D709 L713 | D709-E711 PolarHBondContact OD1-N 2.72Å; E711-L713 PolarHBondContact O-N 3.22Å; E711-L713 VanDerWaalsContact O-N 3.08Å |
| 712 | D | 79.7 | Confident | 85.7 | Confident | 148 Ų | 148 | 58.7 Ų | 58.7 | 79% | 0.791 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -66.6 | -4.7 | 176.4 | -83.7 | -41.7 | 0 | 0 | 0 | 115.1 | P710 | P710-D712 VanDerWaalsContact C-N 3.31Å; P710-D712 PolarHBondContact O-N 3.13Å |
| 713 | L | 80.1 | Confident | 85.1 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -98.9 | -12 | -176 | -55 | -177.3 | 0 | 0 | 0 | 114.6 | L99 W704 I705 P710 E711 L715 | L99-L713 HydrophobicContact CD1-CD1 4.05Å; L99-L713 HydrophobicContact CD1-CD2 4.16Å; L99-L713 HydrophobicContact CD2-CD2 4.27Å; L99-L713 HydrophobicContact CG-CD2 4.43Å; W704-L713 HydrophobicContact CE3-CD1 4.25Å; W704-L713 HydrophobicContact CZ3-CD1 3.71Å; W704-L713 HydrophobicContact CZ3-CG 4.4Å; I705-L713 HydrophobicContact CG1-CD1 4.34Å; P710-L713 HydrophobicContact CB-CD1 4.35Å; P710-L713 VanDerWaalsContact O-CB 3.3Å; P710-L713 WeakPolarHBondContact O-CB 3.38Å; P710-L713 PolarHBondContact O-N 3.18Å; E711-L713 PolarHBondContact O-N 3.22Å; E711-L713 VanDerWaalsContact O-N 3.08Å; L713-L715 HydrophobicContact CB-CD1 4.1Å; L713-L715 HydrophobicContact CB-CG 3.79Å; L713-L715 HydrophobicContact CD1-CD1 3.8Å; L713-L715 HydrophobicContact CD1-CG 4.39Å; L713-L715 PolarHBondContact O-N 3.18Å; L713-L715 VanDerWaalsContact O-N 3.14Å |
| 714 | D | 84 | Confident | 84.5 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 35.9 | -172.4 | -173.3 | 30.5 | 0 | 0 | 0 | 113.1 | R716 | D714-R716 IonicContact OD1-CZ 2.79Å; D714-R716 IonicContact OD1-NE 3.44Å; D714-R716 PolarHBondContact OD1-NE 2.89Å; D714-R716 VanDerWaalsContact OD1-NE 3.13Å; D714-R716 IonicContact OD1-NH2 3.94Å; D714-R716 PolarHBondContact OD1-NH2 3.01Å |
| 715 | L | 89.1 | Confident | 83.5 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | trans | -68.2 | 143.3 | 175 | -71.4 | 174.2 | 0 | 0 | 0 | 110.1 | L39 I705 P710 L713 V740 V741 Y749 | L39-L715 HydrophobicContact CD1-CD2 4.18Å; I705-L715 HydrophobicContact CD1-CD1 3.62Å; I705-L715 HydrophobicContact CG1-CD1 4.16Å; P710-L715 HydrophobicContact CB-CD1 4.41Å; L713-L715 HydrophobicContact CB-CD1 4.1Å; L713-L715 HydrophobicContact CB-CG 3.79Å; L713-L715 HydrophobicContact CD1-CD1 3.8Å; L713-L715 HydrophobicContact CD1-CG 4.39Å; L713-L715 PolarHBondContact O-N 3.18Å; L713-L715 VanDerWaalsContact O-N 3.14Å; L715-V740 CarbonylContact O-C 3.53Å; L715-V740 WeakPolarHBondContact O-CA 3.48Å; L715-V741 HydrophobicContact CB-CB 3.86Å; L715-V741 HydrophobicContact CB-CG2 3.84Å; L715-V741 PolarHBondContact O-N 3.45Å; L715-Y749 HydrophobicContact CD1-CE1 4.34Å | ||
| 716 | R | 91.8 | Very high | 82.6 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -124.5 | 168.2 | 176.8 | -74.6 | 147.1 | -168.1 | -76.4 | -12 | 109.9 | D714 T718 S737 I739 V740 Y749 | D714-R716 IonicContact OD1-CZ 2.79Å; D714-R716 IonicContact OD1-NE 3.44Å; D714-R716 PolarHBondContact OD1-NE 2.89Å; D714-R716 VanDerWaalsContact OD1-NE 3.13Å; D714-R716 IonicContact OD1-NH2 3.94Å; D714-R716 PolarHBondContact OD1-NH2 3.01Å; R716-T718 PolarHBondContact O-N 3.03Å; R716-S737 WeakPolarHBondContact CD-O 3.5Å; R716-S737 WeakPolarHBondContact CG-O 3.15Å; R716-S737 PolarHBondContact NH1-O 3.35Å; R716-I739 VanDerWaalsContact CA-O 3.31Å; R716-I739 WeakPolarHBondContact CA-O 3.48Å; R716-V740 HydrophobicContact CG-CG2 4.5Å; R716-Y749 WeakPolarHBondContact O-CE2 3.19Å |
| 717 | F | 94.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -76.8 | 53.8 | 176.3 | -82.3 | -101.5 | 0 | 0 | 0 | 112.1 | L732 K733 G736 I739 V741 N745 Q748 Y749 L752 | F717-L732 HydrophobicContact CB-CB 4.42Å; F717-L732 WeakPolarHBondContact O-CB 3.42Å; F717-L732 PolarHBondContact O-N 2.87Å; F717-K733 HydrophobicContact CB-CD 4.25Å; F717-K733 HydrophobicContact CB-CG 4.15Å; F717-K733 HydrophobicContact CD1-CD 3.54Å; F717-K733 HydrophobicContact CD1-CG 4.2Å; F717-K733 VanDerWaalsContact CD2-NZ 3.31Å; F717-K733 HydrophobicContact CE1-CD 4.01Å; F717-K733 HydrophobicContact CG-CD 3.93Å; F717-K733 VanDerWaalsContact CG-CE 3.45Å; F717-K733 HydrophobicContact CG-CG 4.38Å; F717-K733 VanDerWaalsContact CG-NZ 3.33Å; F717-G736 PolarHBondContact N-O 2.52Å; F717-G736 VanDerWaalsContact O-CA 3.32Å; F717-G736 WeakPolarHBondContact O-CA 3.24Å; F717-I739 HydrophobicContact CD2-CB 4.15Å; F717-I739 HydrophobicContact CD2-CG2 3.67Å; F717-I739 WeakPolarHBondContact CD2-O 3.46Å; F717-I739 HydrophobicContact CE2-CG2 3.99Å; F717-I739 PolarHBondContact N-O 3.37Å; F717-V741 HydrophobicContact CD2-CG2 3.92Å; F717-V741 HydrophobicContact CE2-CG2 3.88Å; F717-N745 WeakPolarHBondContact CE2-OD1 3.36Å; F717-N745 HydrophobicContact CZ-CB 4.34Å; F717-Q748 HydrophobicContact CE1-CB 4.22Å; F717-Q748 HydrophobicContact CE1-CG 4.05Å; F717-Q748 HydrophobicContact CZ-CB 4.34Å; F717-Y749 HydrophobicContact CD1-CD2 4.19Å; F717-Y749 VanDerWaalsContact CE1-CA 3.4Å; F717-Y749 HydrophobicContact CE1-CD2 4.4Å; F717-Y749 HydrophobicContact CG-CD2 4.32Å; F717-L752 HydrophobicContact CD1-CD1 3.84Å; F717-L752 HydrophobicContact CE1-CD1 3.96Å |
| 718 | T | 92.2 | Very high | 81.7 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.1 | 177.5 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | R716 Q729 H730 | R716-T718 PolarHBondContact O-N 3.03Å; T718-Q729 HydrophobicContact CG2-CG 4.13Å; T718-Q729 PolarHBondContact OG1-NE2 3.13Å; T718-Q729 VanDerWaalsContact OG1-NE2 3.11Å; T718-H730 CarbonylContact C-O 3.58Å; T718-H730 VanDerWaalsContact CA-O 3.27Å; T718-H730 WeakPolarHBondContact CA-O 3.07Å |
| 719 | I | 89.1 | Confident | 81.6 | Confident | 9 Ų | 9 | 73 Ų | 73 | 5% | 0.046 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.3 | 165.6 | -72.4 | 178.5 | 0 | 0 | 0 | 108.9 | Q729 H730 L732 V753 W756 | I719-Q729 CarbonylContact O-C 3.57Å; I719-H730 PolarHBondContact N-O 3.29Å; I719-H730 PolarHBondContact O-N 3.49Å; I719-L732 HydrophobicContact CD1-CD2 3.69Å; I719-L732 HydrophobicContact CD1-CG 4.49Å; I719-L732 HydrophobicContact CG1-CD1 4.22Å; I719-L732 HydrophobicContact CG1-CD2 3.9Å; I719-L732 HydrophobicContact CG1-CG 4.2Å; I719-V753 HydrophobicContact CD1-CB 4.26Å; I719-V753 HydrophobicContact CD1-CG1 4.02Å; I719-V753 HydrophobicContact CD1-CG2 4.05Å; I719-V753 HydrophobicContact CG1-CG2 4.39Å; I719-W756 HydrophobicContact CD1-CB 4.35Å; I719-W756 HydrophobicContact CD1-CD2 3.91Å; I719-W756 HydrophobicContact CD1-CE3 3.53Å; I719-W756 HydrophobicContact CD1-CG 4.25Å; I719-W756 HydrophobicContact CD1-CZ3 4.15Å; I719-W756 HydrophobicContact CG2-CE3 4.18Å; I719-W756 HydrophobicContact CG2-CH2 3.92Å; I719-W756 HydrophobicContact CG2-CZ2 4.35Å; I719-W756 HydrophobicContact CG2-CZ3 3.83Å |
| 720 | D | 84.3 | Confident | 81.6 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 31% | 0.305 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117.5 | 169 | -74.6 | -6 | 0 | 0 | 0 | 109.9 | T727 Q729 | D720-T727 HydrophobicContact CB-CG2 3.69Å; D720-Q729 WeakPolarHBondContact OD1-CG 3.43Å |
| 721 | E | 78.5 | Confident | 81.8 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.4 | 172.3 | -170.7 | 162.7 | -127 | 0 | 0 | 110 | L723 H728 W756 R761 | E721-L723 HydrophobicContact CG-CD2 4.17Å; E721-L723 HydrophobicContact CG-CG 4.32Å; E721-H728 PolarHBondContact N-O 3.1Å; E721-H728 PolarHBondContact O-N 2.74Å; E721-W756 HydrophobicContact CB-CH2 3.98Å; E721-W756 HydrophobicContact CB-CZ2 4.16Å; E721-W756 VanDerWaalsContact CD-CH2 3.47Å; E721-W756 HydrophobicContact CG-CH2 4.06Å; E721-W756 HydrophobicContact CG-CZ2 4.46Å; E721-W756 VanDerWaalsContact OE1-CH2 3.3Å; E721-W756 WeakPolarHBondContact OE1-CH2 3.39Å; E721-R761 IonicContact OE1-CZ 2.72Å; E721-R761 IonicContact OE1-NH1 3.36Å; E721-R761 PolarHBondContact OE1-NH1 3.06Å |
| 722 | E | 70.4 | Confident | 82.3 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.1 | -179.8 | -171.2 | 175.5 | 141.3 | 0 | 0 | 111 | K35 E726 | K35-E722 WeakPolarHBondContact CD-OE2 3.23Å; K35-E722 WeakPolarHBondContact CE-OE2 3.49Å; K35-E722 IonicContact NZ-OE2 2.77Å; K35-E722 PolarHBondContact NZ-OE2 3.06Å; E722-E726 WeakPolarHBondContact CA-O 3.49Å |
| 723 | L | 71.9 | Confident | 82.9 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 112 | -177.6 | -62.2 | 176.8 | 0 | 0 | 0 | 108.7 | E721 G725 E726 | E721-L723 HydrophobicContact CG-CD2 4.17Å; E721-L723 HydrophobicContact CG-CG 4.32Å; L723-G725 PolarHBondContact O-N 3.35Å; L723-E726 PolarHBondContact N-O 2.92Å; L723-E726 PolarHBondContact O-N 2.82Å |
| 724 | F | 67.6 | Low | 83.5 | Confident | 190 Ų | 190 | 69.2 Ų | 69.2 | 83% | 0.833 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 15.3 | -178.4 | -51.1 | -75.8 | 0 | 0 | 0 | 116.2 | L643 | L643-F724 HydrophobicContact CD1-CE2 3.92Å; L643-F724 HydrophobicContact CD1-CZ 4.11Å |
| 725 | G | 67.1 | Low | 83.9 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -0.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L723 | L723-G725 PolarHBondContact O-N 3.35Š|
| 726 | E | 70.4 | Confident | 84 | Confident | 141 Ų | 141 | 65.2 Ų | 65.2 | 66% | 0.659 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.3 | 167.8 | -63.1 | -175 | 170.4 | 0 | 0 | 109.6 | E722 L723 | E722-E726 WeakPolarHBondContact CA-O 3.49Å; L723-E726 PolarHBondContact N-O 2.92Å; L723-E726 PolarHBondContact O-N 2.82Å |
| 727 | T | 78.5 | Confident | 84 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.2 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 110.4 | D720 | D720-T727 HydrophobicContact CB-CG2 3.69Å |
| 728 | H | 78.8 | Confident | 83.8 | Confident | 94 Ų | 94 | 70 Ų | 70 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 112.9 | 176.6 | -73.6 | -121.1 | 0 | 0 | 0 | 110.5 | E721 | E721-H728 PolarHBondContact N-O 3.1Å; E721-H728 PolarHBondContact O-N 2.74Å |
| 729 | Q | 86.9 | Confident | 83.9 | Confident | 123 Ų | 123 | 72.2 Ų | 72.2 | 58% | 0.575 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 132.4 | 173.2 | -168.7 | 174.5 | 21.4 | 0 | 0 | 110.5 | T718 I719 D720 | T718-Q729 HydrophobicContact CG2-CG 4.13Å; T718-Q729 PolarHBondContact OG1-NE2 3.13Å; T718-Q729 VanDerWaalsContact OG1-NE2 3.11Å; I719-Q729 CarbonylContact O-C 3.57Å; D720-Q729 WeakPolarHBondContact OD1-CG 3.43Å |
| 730 | H | 87.8 | Confident | 84.1 | Confident | 84 Ų | 84 | 74.4 Ų | 74.4 | 39% | 0.389 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.1 | -176.3 | -177.6 | -58.4 | 0 | 0 | 0 | 111.3 | T718 I719 L732 W756 | T718-H730 CarbonylContact C-O 3.58Å; T718-H730 VanDerWaalsContact CA-O 3.27Å; T718-H730 WeakPolarHBondContact CA-O 3.07Å; I719-H730 PolarHBondContact N-O 3.29Å; I719-H730 PolarHBondContact O-N 3.49Å; H730-L732 PolarHBondContact O-N 2.76Å; H730-W756 AromaticContact CD2-NE1 3.51Å; H730-W756 AromaticContact CE1-CD1 3.64Å; H730-W756 AromaticContact CE1-NE1 3.58Å; H730-W756 AromaticContact CG-NE1 3.5Å; H730-W756 AromaticContact ND1-CD1 3.73Å; H730-W756 AromaticContact ND1-NE1 3.51Å; H730-W756 AromaticContact NE2-CD1 3.99Å; H730-W756 AromaticContact NE2-NE1 3.55Å |
| 731 | D | 92.8 | Very high | 84.5 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 120 | 173.1 | -104.9 | 17 | 0 | 0 | 0 | 111.9 | K733 G735 G736 S737 | D731-K733 VanDerWaalsContact C-N 3.3Å; D731-G735 WeakPolarHBondContact OD2-CA 3.41Å; D731-G735 PolarHBondContact OD2-N 3.4Å; D731-G736 VanDerWaalsContact OD1-CA 3.26Å; D731-G736 WeakPolarHBondContact OD1-CA 3.5Å; D731-G736 PolarHBondContact OD1-N 2.65Å; D731-G736 VanDerWaalsContact OD1-N 3.11Å; D731-G736 PolarHBondContact OD2-N 2.94Å; D731-S737 PolarHBondContact OD1-N 3.47Å |
| 732 | L | 92.7 | Very high | 85.2 | Confident | 20 Ų | 20 | 71.9 Ų | 71.9 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -72.8 | -26.3 | 175.2 | -73.1 | 178.3 | 0 | 0 | 0 | 112.7 | F717 I719 H730 Y749 L752 V753 W756 | F717-L732 HydrophobicContact CB-CB 4.42Å; F717-L732 WeakPolarHBondContact O-CB 3.42Å; F717-L732 PolarHBondContact O-N 2.87Å; I719-L732 HydrophobicContact CD1-CD2 3.69Å; I719-L732 HydrophobicContact CD1-CG 4.49Å; I719-L732 HydrophobicContact CG1-CD1 4.22Å; I719-L732 HydrophobicContact CG1-CD2 3.9Å; I719-L732 HydrophobicContact CG1-CG 4.2Å; H730-L732 PolarHBondContact O-N 2.76Å; L732-Y749 HydrophobicContact CD1-CD2 3.71Å; L732-Y749 HydrophobicContact CD1-CE2 3.57Å; L732-L752 HydrophobicContact CB-CB 4.09Å; L732-L752 HydrophobicContact CB-CD1 4.33Å; L732-L752 HydrophobicContact CD1-CB 4.29Å; L732-L752 HydrophobicContact CD2-CB 4.45Å; L732-V753 HydrophobicContact CD1-CG2 3.69Å; L732-W756 HydrophobicContact CD2-CB 3.81Å; L732-W756 HydrophobicContact CD2-CG 4.11Å |
| 733 | K | 92.3 | Very high | 86.2 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -148.3 | 159.6 | 173.4 | 70.1 | -165.1 | -172.8 | -160.3 | 0 | 108.2 | F717 D731 G735 G736 I739 L752 | F717-K733 HydrophobicContact CB-CD 4.25Å; F717-K733 HydrophobicContact CB-CG 4.15Å; F717-K733 HydrophobicContact CD1-CD 3.54Å; F717-K733 HydrophobicContact CD1-CG 4.2Å; F717-K733 VanDerWaalsContact CD2-NZ 3.31Å; F717-K733 HydrophobicContact CE1-CD 4.01Å; F717-K733 HydrophobicContact CG-CD 3.93Å; F717-K733 VanDerWaalsContact CG-CE 3.45Å; F717-K733 HydrophobicContact CG-CG 4.38Å; F717-K733 VanDerWaalsContact CG-NZ 3.33Å; D731-K733 VanDerWaalsContact C-N 3.3Å; K733-G735 PolarHBondContact O-N 3.05Å; K733-G736 WeakPolarHBondContact O-CA 3.47Å; K733-G736 PolarHBondContact O-N 2.98Å; K733-I739 VanDerWaalsContact CE-CD1 3.44Å; K733-L752 HydrophobicContact CB-CD1 4.08Å; K733-L752 HydrophobicContact CD-CD1 4.01Å; K733-L752 HydrophobicContact CG-CD1 4.48Å |
| 734 | P | 93.1 | Very high | 87.3 | Confident | 124 Ų | 124 | 77.9 Ų | 77.9 | 81% | 0.805 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 125.3 | -176.5 | -24.7 | 34.5 | 0 | 0 | 0 | 112.7 | ||
| 735 | G | 92 | Very high | 88.6 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 29.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D731 K733 S737 E738 I739 | D731-G735 WeakPolarHBondContact OD2-CA 3.41Å; D731-G735 PolarHBondContact OD2-N 3.4Å; K733-G735 PolarHBondContact O-N 3.05Å; G735-S737 VanDerWaalsContact C-N 3.34Å; G735-S737 PolarHBondContact O-N 3.35Å; G735-E738 PolarHBondContact O-N 3.25Å; G735-I739 WeakPolarHBondContact O-CD1 3.37Å; G735-I739 WeakPolarHBondContact O-CG1 3.07Å |
| 736 | G | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -62.9 | -35.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F717 D731 K733 E738 I739 | F717-G736 PolarHBondContact N-O 2.52Å; F717-G736 VanDerWaalsContact O-CA 3.32Å; F717-G736 WeakPolarHBondContact O-CA 3.24Å; D731-G736 VanDerWaalsContact OD1-CA 3.26Å; D731-G736 WeakPolarHBondContact OD1-CA 3.5Å; D731-G736 PolarHBondContact OD1-N 2.65Å; D731-G736 VanDerWaalsContact OD1-N 3.11Å; D731-G736 PolarHBondContact OD2-N 2.94Å; K733-G736 WeakPolarHBondContact O-CA 3.47Å; K733-G736 PolarHBondContact O-N 2.98Å; G736-E738 VanDerWaalsContact C-N 3.26Å; G736-E738 PolarHBondContact O-N 2.92Å; G736-I739 PolarHBondContact O-N 3.36Å |
| 737 | S | 91.1 | Very high | 91 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -55.3 | -37 | 174.2 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | R716 D731 G735 | R716-S737 WeakPolarHBondContact CD-O 3.5Å; R716-S737 WeakPolarHBondContact CG-O 3.15Å; R716-S737 PolarHBondContact NH1-O 3.35Å; D731-S737 PolarHBondContact OD1-N 3.47Å; G735-S737 VanDerWaalsContact C-N 3.34Å; G735-S737 PolarHBondContact O-N 3.35Å |
| 738 | E | 91.6 | Very high | 91.7 | Very high | 143 Ų | 143 | 69.2 Ų | 69.2 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -87 | -13.4 | -175 | -52 | -43.8 | 116.7 | 0 | 0 | 112.9 | G735 G736 | G735-E738 PolarHBondContact O-N 3.25Å; G736-E738 VanDerWaalsContact C-N 3.26Å; G736-E738 PolarHBondContact O-N 2.92Å |
| 739 | I | 93.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | trans | -102.3 | 106.9 | -173.8 | -58.2 | 167.3 | 0 | 0 | 0 | 109 | R716 F717 K733 G735 G736 | R716-I739 VanDerWaalsContact CA-O 3.31Å; R716-I739 WeakPolarHBondContact CA-O 3.48Å; F717-I739 HydrophobicContact CD2-CB 4.15Å; F717-I739 HydrophobicContact CD2-CG2 3.67Å; F717-I739 WeakPolarHBondContact CD2-O 3.46Å; F717-I739 HydrophobicContact CE2-CG2 3.99Å; F717-I739 PolarHBondContact N-O 3.37Å; K733-I739 VanDerWaalsContact CE-CD1 3.44Å; G735-I739 WeakPolarHBondContact O-CD1 3.37Å; G735-I739 WeakPolarHBondContact O-CG1 3.07Å; G736-I739 PolarHBondContact O-N 3.36Å | ||
| 740 | V | 92.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 59.2 Ų | 59.2 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -70.3 | 145.3 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | L715 R716 N745 | L715-V740 CarbonylContact O-C 3.53Å; L715-V740 WeakPolarHBondContact O-CA 3.48Å; R716-V740 HydrophobicContact CG-CG2 4.5Å; V740-N745 PolarHBondContact O-ND2 3.34Å |
| 741 | V | 93.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | trans | -83.4 | 116.1 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | P710 L715 F717 N745 K746 Y749 | P710-V741 HydrophobicContact CB-CG1 4.44Å; P710-V741 HydrophobicContact CG-CG1 4.01Å; L715-V741 HydrophobicContact CB-CB 3.86Å; L715-V741 HydrophobicContact CB-CG2 3.84Å; L715-V741 PolarHBondContact O-N 3.45Å; F717-V741 HydrophobicContact CD2-CG2 3.92Å; F717-V741 HydrophobicContact CE2-CG2 3.88Å; V741-N745 VanDerWaalsContact CA-OD1 3.26Å; V741-N745 WeakPolarHBondContact CA-OD1 3.09Å; V741-K746 HydrophobicContact CG1-CB 3.88Å; V741-Y749 HydrophobicContact CG1-CD1 4.19Å; V741-Y749 HydrophobicContact CG1-CG 4.06Å; V741-Y749 HydrophobicContact CG2-CD1 4.21Å; V741-Y749 HydrophobicContact CG2-CD2 3.55Å; V741-Y749 HydrophobicContact CG2-CE2 4.04Å; V741-Y749 HydrophobicContact CG2-CG 3.64Å | ||
| 742 | T | 92.5 | Very high | 93 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | trans | -110.3 | 166.2 | 179.3 | 70.8 | 0 | 0 | 0 | 0 | 110.7 | E744 N745 K746 | T742-E744 PolarHBondContact O-N 3.12Å; T742-E744 PolarHBondContact OG1-OE2 2.78Å; T742-N745 PolarHBondContact N-ND2 3.5Å; T742-N745 PolarHBondContact N-OD1 3.31Å; T742-N745 PolarHBondContact O-N 3.5Å; T742-N745 VanDerWaalsContact O-N 3.08Å; T742-N745 PolarHBondContact O-OD1 3.4Å; T742-N745 PolarHBondContact OG1-N 3.08Å; T742-N745 PolarHBondContact OG1-ND2 3.19Å; T742-K746 WeakPolarHBondContact O-CB 3.49Å; T742-K746 PolarHBondContact O-N 2.89Å | ||
| 743 | N | 93.1 | Very high | 92.9 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -33.3 | 177.9 | -155.1 | -7.9 | 0 | 0 | 0 | 113.4 | D709 K746 | D709-N743 WeakPolarHBondContact OD1-CB 3.23Å; D709-N743 VanDerWaalsContact OD2-CB 3.32Å; D709-N743 WeakPolarHBondContact OD2-CB 3.4Å; D709-N743 VanDerWaalsContact OD2-CG 3.27Å; D709-N743 PolarHBondContact OD2-ND2 2.85Å; N743-K746 WeakPolarHBondContact O-CD 3.35Å; N743-K746 WeakPolarHBondContact OD1-CE 3.46Å; N743-K746 PolarHBondContact OD1-NZ 2.95Å |
| 744 | E | 93.5 | Very high | 92.7 | Very high | 176 Ų | 176 | 56.9 Ų | 56.9 | 82% | 0.822 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -42 | -179.2 | -52.4 | 159.2 | 131 | 0 | 0 | 112.3 | T742 | T742-E744 PolarHBondContact O-N 3.12Å; T742-E744 PolarHBondContact OG1-OE2 2.78Å |
| 745 | N | 94.9 | Very high | 92.6 | Very high | 37 Ų | 37 | 55 Ų | 55 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -11 | -170.4 | 79.6 | 32.7 | 0 | 0 | 0 | 113.8 | F717 V740 V741 T742 K747 Q748 Y749 | F717-N745 WeakPolarHBondContact CE2-OD1 3.36Å; F717-N745 HydrophobicContact CZ-CB 4.34Å; V740-N745 PolarHBondContact O-ND2 3.34Å; V741-N745 VanDerWaalsContact CA-OD1 3.26Å; V741-N745 WeakPolarHBondContact CA-OD1 3.09Å; T742-N745 PolarHBondContact N-ND2 3.5Å; T742-N745 PolarHBondContact N-OD1 3.31Å; T742-N745 PolarHBondContact O-N 3.5Å; T742-N745 VanDerWaalsContact O-N 3.08Å; T742-N745 PolarHBondContact O-OD1 3.4Å; T742-N745 PolarHBondContact OG1-N 3.08Å; T742-N745 PolarHBondContact OG1-ND2 3.19Å; N745-K747 PolarHBondContact O-N 3.15Å; N745-Q748 WeakPolarHBondContact O-CA 3.13Å; N745-Q748 WeakPolarHBondContact O-CB 3.02Å; N745-Q748 PolarHBondContact O-N 3.31Å; N745-Y749 PolarHBondContact O-N 3.5Å |
| 746 | K | 94.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.7 | -28.6 | -176.3 | 75.9 | -164.7 | -167.3 | 178.9 | 0 | 115.6 | I705 L706 N708 P710 V741 T742 N743 Y749 I750 | I705-K746 HydrophobicContact CG2-CB 4.09Å; I705-K746 WeakPolarHBondContact O-CD 3.49Å; I705-K746 WeakPolarHBondContact O-CE 3.35Å; I705-K746 PolarHBondContact O-NZ 3.15Å; L706-K746 WeakPolarHBondContact O-CE 3.34Å; L706-K746 PolarHBondContact O-NZ 2.99Å; N708-K746 PolarHBondContact O-NZ 2.91Å; P710-K746 HydrophobicContact CG-CB 4.15Å; P710-K746 HydrophobicContact CG-CD 4.28Å; V741-K746 HydrophobicContact CG1-CB 3.88Å; T742-K746 WeakPolarHBondContact O-CB 3.49Å; T742-K746 PolarHBondContact O-N 2.89Å; N743-K746 WeakPolarHBondContact O-CD 3.35Å; N743-K746 WeakPolarHBondContact OD1-CE 3.46Å; N743-K746 PolarHBondContact OD1-NZ 2.95Å; K746-Y749 WeakPolarHBondContact O-CB 3.45Å; K746-Y749 PolarHBondContact O-N 2.85Å; K746-I750 WeakPolarHBondContact O-CG1 3.48Å; K746-I750 PolarHBondContact O-N 2.81Å |
| 747 | K | 93.5 | Very high | 92.4 | Very high | 135 Ų | 135 | 55.2 Ų | 55.2 | 59% | 0.587 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 174.4 | -66.1 | -180 | -178.2 | 174.9 | 0 | 111.1 | L706 N745 Y749 I750 D751 | L706-K747 HydrophobicContact CD1-CG 3.95Å; N745-K747 PolarHBondContact O-N 3.15Å; K747-Y749 VanDerWaalsContact C-N 3.28Å; K747-Y749 PolarHBondContact O-N 2.95Å; K747-I750 PolarHBondContact O-N 2.68Å; K747-D751 WeakPolarHBondContact O-CB 3.46Å; K747-D751 VanDerWaalsContact O-CG 3.29Å; K747-D751 PolarHBondContact O-N 2.74Å |
| 748 | Q | 95.1 | Very high | 92.2 | Very high | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -36.1 | 173.6 | -173 | -172.1 | 69.1 | 0 | 0 | 111.5 | F717 N745 L752 | F717-Q748 HydrophobicContact CE1-CB 4.22Å; F717-Q748 HydrophobicContact CE1-CG 4.05Å; F717-Q748 HydrophobicContact CZ-CB 4.34Å; N745-Q748 WeakPolarHBondContact O-CA 3.13Å; N745-Q748 WeakPolarHBondContact O-CB 3.02Å; N745-Q748 PolarHBondContact O-N 3.31Å; Q748-L752 HydrophobicContact CG-CD1 4.02Å; Q748-L752 HydrophobicContact CG-CG 4.47Å; Q748-L752 WeakPolarHBondContact O-CB 3.43Å; Q748-L752 VanDerWaalsContact O-CG 3.27Å; Q748-L752 WeakPolarHBondContact O-CG 3.37Å; Q748-L752 PolarHBondContact O-N 3.27Å |
| 749 | Y | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -54 | 174.6 | 174.7 | -106.7 | 0 | 0 | 0 | 110.9 | I705 L715 R716 F717 L732 V741 N745 K746 K747 D751 L752 V753 | I705-Y749 HydrophobicContact CD1-CE1 4.33Å; L715-Y749 HydrophobicContact CD1-CE1 4.34Å; R716-Y749 WeakPolarHBondContact O-CE2 3.19Å; F717-Y749 HydrophobicContact CD1-CD2 4.19Å; F717-Y749 VanDerWaalsContact CE1-CA 3.4Å; F717-Y749 HydrophobicContact CE1-CD2 4.4Å; F717-Y749 HydrophobicContact CG-CD2 4.32Å; L732-Y749 HydrophobicContact CD1-CD2 3.71Å; L732-Y749 HydrophobicContact CD1-CE2 3.57Å; V741-Y749 HydrophobicContact CG1-CD1 4.19Å; V741-Y749 HydrophobicContact CG1-CG 4.06Å; V741-Y749 HydrophobicContact CG2-CD1 4.21Å; V741-Y749 HydrophobicContact CG2-CD2 3.55Å; V741-Y749 HydrophobicContact CG2-CE2 4.04Å; V741-Y749 HydrophobicContact CG2-CG 3.64Å; N745-Y749 PolarHBondContact O-N 3.5Å; K746-Y749 WeakPolarHBondContact O-CB 3.45Å; K746-Y749 PolarHBondContact O-N 2.85Å; K747-Y749 VanDerWaalsContact C-N 3.28Å; K747-Y749 PolarHBondContact O-N 2.95Å; Y749-D751 PolarHBondContact O-N 3.43Å; Y749-L752 PolarHBondContact O-N 3.42Å; Y749-V753 HydrophobicContact CD1-CG2 4.24Å; Y749-V753 HydrophobicContact CD2-CG2 4.2Å; Y749-V753 HydrophobicContact CE1-CG2 3.88Å; Y749-V753 HydrophobicContact CE2-CG2 3.83Å; Y749-V753 HydrophobicContact CG-CG2 4.39Å; Y749-V753 VanDerWaalsContact O-CG2 3.29Å; Y749-V753 WeakPolarHBondContact O-CG2 3.19Å; Y749-V753 PolarHBondContact O-N 2.92Å |
| 750 | I | 92 | Very high | 92.1 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 178.8 | -65 | 160.3 | 0 | 0 | 0 | 111.2 | L688 L702 I705 L706 K746 K747 L752 V753 M754 | L688-I750 HydrophobicContact CD1-CG2 4.25Å; L702-I750 HydrophobicContact CB-CG2 4.47Å; L702-I750 HydrophobicContact CD2-CG1 4.2Å; L702-I750 WeakPolarHBondContact O-CD1 3.47Å; I705-I750 HydrophobicContact CB-CD1 4.44Å; I705-I750 HydrophobicContact CG2-CD1 4.08Å; I705-I750 HydrophobicContact CG2-CG1 4.34Å; L706-I750 HydrophobicContact CB-CD1 3.75Å; L706-I750 HydrophobicContact CD1-CD1 4.04Å; L706-I750 HydrophobicContact CG-CD1 4.45Å; K746-I750 WeakPolarHBondContact O-CG1 3.48Å; K746-I750 PolarHBondContact O-N 2.81Å; K747-I750 PolarHBondContact O-N 2.68Å; I750-L752 VanDerWaalsContact C-N 3.33Å; I750-L752 PolarHBondContact O-N 2.94Å; I750-V753 PolarHBondContact O-N 2.91Å; I750-M754 HydrophobicContact CG2-CG 4.25Å; I750-M754 WeakPolarHBondContact O-CB 3.44Å; I750-M754 WeakPolarHBondContact O-CG 3.36Å; I750-M754 PolarHBondContact O-N 3.39Å |
| 751 | D | 91.8 | Very high | 92 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.3 | -41.1 | 178.6 | -70.6 | -29.4 | 0 | 0 | 0 | 112 | K747 Y749 Q755 | K747-D751 WeakPolarHBondContact O-CB 3.46Å; K747-D751 VanDerWaalsContact O-CG 3.29Å; K747-D751 PolarHBondContact O-N 2.74Å; Y749-D751 PolarHBondContact O-N 3.43Å; D751-Q755 VanDerWaalsContact O-CB 3.23Å; D751-Q755 WeakPolarHBondContact O-CB 3.46Å; D751-Q755 PolarHBondContact O-N 3Å |
| 752 | L | 93.9 | Very high | 92.1 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.2 | -36.5 | 176.3 | -71.2 | 171.6 | 0 | 0 | 0 | 112.7 | F717 L732 K733 Q748 Y749 I750 Q755 W756 | F717-L752 HydrophobicContact CD1-CD1 3.84Å; F717-L752 HydrophobicContact CE1-CD1 3.96Å; L732-L752 HydrophobicContact CB-CB 4.09Å; L732-L752 HydrophobicContact CB-CD1 4.33Å; L732-L752 HydrophobicContact CD1-CB 4.29Å; L732-L752 HydrophobicContact CD2-CB 4.45Å; K733-L752 HydrophobicContact CB-CD1 4.08Å; K733-L752 HydrophobicContact CD-CD1 4.01Å; K733-L752 HydrophobicContact CG-CD1 4.48Å; Q748-L752 HydrophobicContact CG-CD1 4.02Å; Q748-L752 HydrophobicContact CG-CG 4.47Å; Q748-L752 WeakPolarHBondContact O-CB 3.43Å; Q748-L752 VanDerWaalsContact O-CG 3.27Å; Q748-L752 WeakPolarHBondContact O-CG 3.37Å; Q748-L752 PolarHBondContact O-N 3.27Å; Y749-L752 PolarHBondContact O-N 3.42Å; I750-L752 VanDerWaalsContact C-N 3.33Å; I750-L752 PolarHBondContact O-N 2.94Å; L752-Q755 PolarHBondContact O-N 3.47Å; L752-W756 WeakPolarHBondContact O-CB 3.5Å; L752-W756 PolarHBondContact O-N 2.99Å |
| 753 | V | 91.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 172.5 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | Y698 L702 I719 L732 Y749 I750 Q755 W756 R757 | Y698-V753 HydrophobicContact CE1-CG1 3.63Å; Y698-V753 WeakPolarHBondContact OH-CG1 3.17Å; L702-V753 HydrophobicContact CD1-CG1 4.01Å; L702-V753 HydrophobicContact CD2-CB 4.39Å; L702-V753 HydrophobicContact CD2-CG1 3.98Å; I719-V753 HydrophobicContact CD1-CB 4.26Å; I719-V753 HydrophobicContact CD1-CG1 4.02Å; I719-V753 HydrophobicContact CD1-CG2 4.05Å; I719-V753 HydrophobicContact CG1-CG2 4.39Å; L732-V753 HydrophobicContact CD1-CG2 3.69Å; Y749-V753 HydrophobicContact CD1-CG2 4.24Å; Y749-V753 HydrophobicContact CD2-CG2 4.2Å; Y749-V753 HydrophobicContact CE1-CG2 3.88Å; Y749-V753 HydrophobicContact CE2-CG2 3.83Å; Y749-V753 HydrophobicContact CG-CG2 4.39Å; Y749-V753 VanDerWaalsContact O-CG2 3.29Å; Y749-V753 WeakPolarHBondContact O-CG2 3.19Å; Y749-V753 PolarHBondContact O-N 2.92Å; I750-V753 PolarHBondContact O-N 2.91Å; V753-Q755 PolarHBondContact O-N 3.47Å; V753-W756 PolarHBondContact O-N 3.3Å; V753-R757 VanDerWaalsContact O-CB 3.28Å; V753-R757 WeakPolarHBondContact O-CB 3.44Å; V753-R757 PolarHBondContact O-N 3.04Å |
| 754 | M | 87.9 | Confident | 92.4 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 177.3 | -69.7 | -69 | -54.9 | 0 | 0 | 111.5 | I686 T687 L688 M691 L702 I750 F758 | I686-M754 HydrophobicContact CG2-CE 3.74Å; T687-M754 WeakPolarHBondContact O-CE 3.42Å; L688-M754 HydrophobicContact CD1-SD 4.06Å; M691-M754 HydrophobicContact CB-CE 4.14Å; M691-M754 HydrophobicContact CB-SD 4Å; M691-M754 HydrophobicContact CE-CE 4.22Å; M691-M754 HydrophobicContact CE-SD 3.4Å; M691-M754 WeakPolarHBondContact CE-SD 3.35Å; L702-M754 HydrophobicContact CD1-SD 4.14Å; I750-M754 HydrophobicContact CG2-CG 4.25Å; I750-M754 WeakPolarHBondContact O-CB 3.44Å; I750-M754 WeakPolarHBondContact O-CG 3.36Å; I750-M754 PolarHBondContact O-N 3.39Å; M754-F758 HydrophobicContact CE-CD2 3.92Å; M754-F758 HydrophobicContact CE-CE2 3.69Å; M754-F758 PolarHBondContact O-N 2.8Å; M754-F758 VanDerWaalsContact O-N 3.15Å; M754-F758 HydrophobicContact SD-CE2 4.45Å |
| 755 | Q | 91.4 | Very high | 92.6 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -42.9 | 177.4 | 175.2 | 62.9 | 28.2 | 0 | 0 | 111.9 | D751 L752 V753 V759 N760 | D751-Q755 VanDerWaalsContact O-CB 3.23Å; D751-Q755 WeakPolarHBondContact O-CB 3.46Å; D751-Q755 PolarHBondContact O-N 3Å; L752-Q755 PolarHBondContact O-N 3.47Å; V753-Q755 PolarHBondContact O-N 3.47Å; Q755-V759 WeakPolarHBondContact O-CA 3.28Å; Q755-V759 VanDerWaalsContact O-CB 3.24Å; Q755-V759 WeakPolarHBondContact O-CB 3.3Å; Q755-V759 PolarHBondContact O-N 3.05Å; Q755-N760 PolarHBondContact NE2-OD1 3.48Å; Q755-N760 PolarHBondContact O-N 3.22Å; Q755-N760 VanDerWaalsContact O-N 3.11Å; Q755-N760 PolarHBondContact O-OD1 3.43Å |
| 756 | W | 91.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -50.7 | 177.3 | -178.8 | 95.4 | 0 | 0 | 0 | 111.8 | I719 E721 H730 L732 L752 V753 F758 N760 R761 | I719-W756 HydrophobicContact CD1-CB 4.35Å; I719-W756 HydrophobicContact CD1-CD2 3.91Å; I719-W756 HydrophobicContact CD1-CE3 3.53Å; I719-W756 HydrophobicContact CD1-CG 4.25Å; I719-W756 HydrophobicContact CD1-CZ3 4.15Å; I719-W756 HydrophobicContact CG2-CE3 4.18Å; I719-W756 HydrophobicContact CG2-CH2 3.92Å; I719-W756 HydrophobicContact CG2-CZ2 4.35Å; I719-W756 HydrophobicContact CG2-CZ3 3.83Å; E721-W756 HydrophobicContact CB-CH2 3.98Å; E721-W756 HydrophobicContact CB-CZ2 4.16Å; E721-W756 VanDerWaalsContact CD-CH2 3.47Å; E721-W756 HydrophobicContact CG-CH2 4.06Å; E721-W756 HydrophobicContact CG-CZ2 4.46Å; E721-W756 VanDerWaalsContact OE1-CH2 3.3Å; E721-W756 WeakPolarHBondContact OE1-CH2 3.39Å; H730-W756 AromaticContact CD2-NE1 3.51Å; H730-W756 AromaticContact CE1-CD1 3.64Å; H730-W756 AromaticContact CE1-NE1 3.58Å; H730-W756 AromaticContact CG-NE1 3.5Å; H730-W756 AromaticContact ND1-CD1 3.73Å; H730-W756 AromaticContact ND1-NE1 3.51Å; H730-W756 AromaticContact NE2-CD1 3.99Å; H730-W756 AromaticContact NE2-NE1 3.55Å; L732-W756 HydrophobicContact CD2-CB 3.81Å; L732-W756 HydrophobicContact CD2-CG 4.11Å; L752-W756 WeakPolarHBondContact O-CB 3.5Å; L752-W756 PolarHBondContact O-N 2.99Å; V753-W756 PolarHBondContact O-N 3.3Å; W756-F758 PolarHBondContact O-N 2.78Å; W756-N760 PolarHBondContact O-N 3.34Å; W756-R761 PolarHBondContact O-N 2.91Å |
| 757 | R | 87.4 | Confident | 92.8 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 11% | 0.106 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -30.9 | -173.2 | 174.5 | 58 | -176.9 | 84 | 0.4 | 114.1 | M691 V753 R761 | M691-R757 HydrophobicContact CE-CB 4.47Å; M691-R757 HydrophobicContact CE-CG 3.99Å; V753-R757 VanDerWaalsContact O-CB 3.28Å; V753-R757 WeakPolarHBondContact O-CB 3.44Å; V753-R757 PolarHBondContact O-N 3.04Å; R757-R761 PolarHBondContact O-NE 2.8Å |
| 758 | F | 87.6 | Confident | 93 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -112.2 | -22.8 | -177.9 | -69.1 | -57.8 | 0 | 0 | 0 | 115.5 | I674 P676 M680 I686 M691 V694 M754 W756 I762 | I674-F758 HydrophobicContact CD1-CD1 3.88Å; I674-F758 HydrophobicContact CD1-CE1 3.74Å; P676-F758 HydrophobicContact CB-CB 4.28Å; P676-F758 HydrophobicContact CB-CD1 3.98Å; P676-F758 HydrophobicContact CB-CE1 4.48Å; P676-F758 HydrophobicContact CB-CG 4.07Å; P676-F758 HydrophobicContact CG-CD1 3.87Å; P676-F758 HydrophobicContact CG-CD2 4.22Å; P676-F758 HydrophobicContact CG-CE1 3.9Å; P676-F758 HydrophobicContact CG-CE2 4.2Å; P676-F758 HydrophobicContact CG-CG 4.05Å; P676-F758 HydrophobicContact CG-CZ 4.05Å; M680-F758 WeakPolarHBondContact CE-O 3.32Å; I686-F758 HydrophobicContact CD1-CB 3.78Å; I686-F758 HydrophobicContact CG2-CD2 3.85Å; I686-F758 HydrophobicContact CG2-CE2 4.39Å; M691-F758 HydrophobicContact CB-CE2 4.41Å; M691-F758 HydrophobicContact CE-CD2 4.31Å; M691-F758 HydrophobicContact CE-CE2 3.53Å; M691-F758 HydrophobicContact CE-CZ 4.01Å; M691-F758 HydrophobicContact SD-CE2 3.67Å; M691-F758 HydrophobicContact SD-CZ 3.54Å; M691-F758 VanDerWaalsContact SD-CZ 3.54Å; V694-F758 HydrophobicContact CB-CE1 4.21Å; V694-F758 HydrophobicContact CB-CZ 4.1Å; V694-F758 HydrophobicContact CG1-CE1 4.07Å; V694-F758 HydrophobicContact CG1-CZ 4.4Å; V694-F758 HydrophobicContact CG2-CE1 4.04Å; V694-F758 HydrophobicContact CG2-CZ 4.03Å; M754-F758 HydrophobicContact CE-CD2 3.92Å; M754-F758 HydrophobicContact CE-CE2 3.69Å; M754-F758 PolarHBondContact O-N 2.8Å; M754-F758 VanDerWaalsContact O-N 3.15Å; M754-F758 HydrophobicContact SD-CE2 4.45Å; W756-F758 PolarHBondContact O-N 2.78Å; F758-I762 VanDerWaalsContact O-CD1 3.31Å; F758-I762 WeakPolarHBondContact O-CD1 3.32Å; F758-I762 WeakPolarHBondContact O-CG1 3.36Å |
| 759 | V | 91.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -59.2 | -175.6 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | M680 I686 Q755 R761 I762 Q763 | M680-V759 HydrophobicContact CE-CB 4.09Å; M680-V759 HydrophobicContact CE-CG1 3.92Å; M680-V759 HydrophobicContact CE-CG2 4.07Å; I686-V759 HydrophobicContact CD1-CG2 3.64Å; Q755-V759 WeakPolarHBondContact O-CA 3.28Å; Q755-V759 VanDerWaalsContact O-CB 3.24Å; Q755-V759 WeakPolarHBondContact O-CB 3.3Å; Q755-V759 PolarHBondContact O-N 3.05Å; V759-R761 PolarHBondContact O-N 2.78Å; V759-I762 PolarHBondContact O-N 2.95Å; V759-Q763 WeakPolarHBondContact O-CA 3.44Å; V759-Q763 WeakPolarHBondContact O-CB 3.3Å; V759-Q763 PolarHBondContact O-N 3.25Å |
| 760 | N | 91.4 | Very high | 93.3 | Very high | 74 Ų | 74 | 43.3 Ų | 43.3 | 40% | 0.396 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -64.4 | -47.8 | -166.3 | -63 | 10 | 0 | 0 | 0 | 111.5 | Q755 W756 I762 Q763 | Q755-N760 PolarHBondContact NE2-OD1 3.48Å; Q755-N760 PolarHBondContact O-N 3.22Å; Q755-N760 VanDerWaalsContact O-N 3.11Å; Q755-N760 PolarHBondContact O-OD1 3.43Å; W756-N760 PolarHBondContact O-N 3.34Å; N760-I762 PolarHBondContact O-N 2.84Å; N760-I762 VanDerWaalsContact O-N 3.16Å; N760-Q763 WeakPolarHBondContact O-CB 3.38Å; N760-Q763 PolarHBondContact O-N 2.77Å |
| 761 | R | 90.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -68.5 | -13.2 | -176.1 | 76.4 | -178.2 | -157.6 | 146.3 | 9.8 | 115.3 | E626 P639 E721 W756 R757 V759 | E626-R761 IonicContact OE1-NH2 3.38Å; P639-R761 HydrophobicContact CB-CB 4.3Å; P639-R761 HydrophobicContact CB-CG 4.13Å; P639-R761 HydrophobicContact CG-CG 3.95Å; E721-R761 IonicContact OE1-CZ 2.72Å; E721-R761 IonicContact OE1-NH1 3.36Å; E721-R761 PolarHBondContact OE1-NH1 3.06Å; W756-R761 PolarHBondContact O-N 2.91Å; R757-R761 PolarHBondContact O-NE 2.8Å; V759-R761 PolarHBondContact O-N 2.78Å |
| 762 | I | 94.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -120.3 | 12.5 | 176.4 | 65.4 | 165.5 | 0 | 0 | 0 | 113.7 | I637 P639 M680 F758 V759 N760 K764 Q765 M766 | I637-I762 HydrophobicContact CB-CB 4.26Å; I637-I762 HydrophobicContact CB-CD1 4.13Å; I637-I762 HydrophobicContact CB-CG2 4.04Å; I637-I762 HydrophobicContact CD1-CD1 4.38Å; I637-I762 HydrophobicContact CG2-CB 3.94Å; I637-I762 HydrophobicContact CG2-CG2 3.79Å; P639-I762 HydrophobicContact CB-CG2 4.41Å; P639-I762 HydrophobicContact CG-CG2 4.21Å; M680-I762 HydrophobicContact CE-CD1 4.13Å; M680-I762 HydrophobicContact CE-CG1 4.19Å; M680-I762 HydrophobicContact SD-CD1 4.08Å; F758-I762 VanDerWaalsContact O-CD1 3.31Å; F758-I762 WeakPolarHBondContact O-CD1 3.32Å; F758-I762 WeakPolarHBondContact O-CG1 3.36Å; V759-I762 PolarHBondContact O-N 2.95Å; N760-I762 PolarHBondContact O-N 2.84Å; N760-I762 VanDerWaalsContact O-N 3.16Å; I762-K764 VanDerWaalsContact C-N 3.34Å; I762-K764 PolarHBondContact O-N 3.08Å; I762-Q765 PolarHBondContact O-N 3.38Å; I762-Q765 PolarHBondContact O-OE1 3.22Å; I762-M766 WeakPolarHBondContact O-CB 3.4Å; I762-M766 PolarHBondContact O-N 3.35Å |
| 763 | Q | 94.9 | Very high | 93.9 | Very high | 107 Ų | 107 | 40.5 Ų | 40.5 | 50% | 0.5 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | -166.5 | -167.6 | -178.2 | 15.6 | 0 | 0 | 113 | V759 N760 M767 | V759-Q763 WeakPolarHBondContact O-CA 3.44Å; V759-Q763 WeakPolarHBondContact O-CB 3.3Å; V759-Q763 PolarHBondContact O-N 3.25Å; N760-Q763 WeakPolarHBondContact O-CB 3.38Å; N760-Q763 PolarHBondContact O-N 2.77Å; Q763-M767 WeakPolarHBondContact O-CB 3.35Å; Q763-M767 PolarHBondContact O-N 3.27Å |
| 764 | K | 96.6 | Very high | 94.1 | Very high | 154 Ų | 154 | 43 Ų | 43 | 67% | 0.67 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68.8 | -46.2 | -178.8 | -60.7 | 176.8 | -176.6 | 172.6 | 0 | 111.1 | L649 I762 M767 A768 | L649-K764 HydrophobicContact CD1-CB 4.38Å; L649-K764 HydrophobicContact CD2-CB 3.79Å; I762-K764 VanDerWaalsContact C-N 3.34Å; I762-K764 PolarHBondContact O-N 3.08Å; K764-M767 PolarHBondContact O-N 3Å; K764-A768 PolarHBondContact O-N 2.78Å |
| 765 | Q | 97.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -51.3 | 178.3 | -60.9 | 88.7 | -36.4 | 0 | 0 | 110.7 | I637 P639 S641 L649 F652 I762 M767 A768 F769 | I637-Q765 HydrophobicContact CD1-CB 4.24Å; I637-Q765 HydrophobicContact CG2-CB 3.65Å; I637-Q765 HydrophobicContact CG2-CG 3.88Å; P639-Q765 PolarHBondContact O-NE2 3.07Å; S641-Q765 PolarHBondContact OG-NE2 3.11Å; L649-Q765 HydrophobicContact CD2-CG 4.31Å; F652-Q765 WeakPolarHBondContact CB-O 3.22Å; F652-Q765 HydrophobicContact CD1-CB 4.4Å; F652-Q765 HydrophobicContact CD2-CB 3.6Å; F652-Q765 HydrophobicContact CD2-CG 3.75Å; F652-Q765 HydrophobicContact CE1-CB 4.36Å; F652-Q765 HydrophobicContact CE2-CB 3.57Å; F652-Q765 HydrophobicContact CE2-CG 3.37Å; F652-Q765 HydrophobicContact CG-CB 4.05Å; F652-Q765 HydrophobicContact CZ-CB 3.97Å; F652-Q765 HydrophobicContact CZ-CG 4.01Å; I762-Q765 PolarHBondContact O-N 3.38Å; I762-Q765 PolarHBondContact O-OE1 3.22Å; Q765-M767 VanDerWaalsContact C-N 3.34Å; Q765-M767 PolarHBondContact O-N 3.1Å; Q765-A768 PolarHBondContact O-N 2.85Å; Q765-F769 PolarHBondContact O-N 2.88Å |
| 766 | M | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.6 | -31.5 | 178.3 | 177 | 55.6 | 79.6 | 0 | 0 | 112.4 | I637 F677 M680 I762 F769 K770 | I637-M766 HydrophobicContact CD1-CB 4.22Å; I637-M766 HydrophobicContact CD1-CE 4.15Å; F677-M766 HydrophobicContact CB-CE 4.41Å; F677-M766 HydrophobicContact CD1-CE 4.37Å; F677-M766 HydrophobicContact CD2-CE 3.37Å; F677-M766 HydrophobicContact CE2-CE 3.6Å; F677-M766 HydrophobicContact CG-CE 3.79Å; F677-M766 HydrophobicContact CZ-CE 4.19Å; M680-M766 HydrophobicContact CB-CE 4.17Å; M680-M766 HydrophobicContact CB-CG 4.38Å; M680-M766 HydrophobicContact CB-SD 4.42Å; M680-M766 HydrophobicContact CE-CB 4.16Å; M680-M766 HydrophobicContact CE-CG 3.75Å; M680-M766 HydrophobicContact SD-CE 3.96Å; M680-M766 HydrophobicContact SD-CG 4.21Å; I762-M766 WeakPolarHBondContact O-CB 3.4Å; I762-M766 PolarHBondContact O-N 3.35Å; M766-F769 HydrophobicContact SD-CD1 4.16Å; M766-K770 HydrophobicContact CG-CD 4.17Å; M766-K770 WeakPolarHBondContact O-CB 3.46Å; M766-K770 WeakPolarHBondContact O-CD 3.3Å; M766-K770 VanDerWaalsContact O-CG 3.23Å; M766-K770 WeakPolarHBondContact O-CG 3.34Å; M766-K770 PolarHBondContact O-N 2.86Å; M766-K770 HydrophobicContact SD-CD 4.14Å; M766-K770 WeakPolarHBondContact SD-CE 3.36Å; M766-K770 HydrophobicContact SD-CG 4.03Å |
| 767 | M | 97.2 | Very high | 94.8 | Very high | 122 Ų | 122 | 40.8 Ų | 40.8 | 60% | 0.601 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65 | -48.2 | 172.6 | -174.9 | 179.7 | -64.9 | 0 | 0 | 111.3 | Q763 K764 Q765 F769 K770 E771 | Q763-M767 WeakPolarHBondContact O-CB 3.35Å; Q763-M767 PolarHBondContact O-N 3.27Å; K764-M767 PolarHBondContact O-N 3Å; Q765-M767 VanDerWaalsContact C-N 3.34Å; Q765-M767 PolarHBondContact O-N 3.1Å; M767-F769 PolarHBondContact O-N 2.86Å; M767-K770 PolarHBondContact O-N 3.31Å; M767-E771 WeakPolarHBondContact O-CB 3.41Å; M767-E771 PolarHBondContact O-N 3.23Å |
| 768 | A | 97.9 | Very high | 95.1 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L649 F652 K653 K764 Q765 E771 G772 | L649-A768 HydrophobicContact CB-CB 4.4Å; L649-A768 WeakPolarHBondContact O-CB 3.48Å; F652-A768 HydrophobicContact CB-CB 4.01Å; K653-A768 VanDerWaalsContact CA-O 3.29Å; K653-A768 WeakPolarHBondContact CA-O 3.47Å; K653-A768 HydrophobicContact CB-CB 4.35Å; K764-A768 PolarHBondContact O-N 2.78Å; Q765-A768 PolarHBondContact O-N 2.85Å; A768-E771 WeakPolarHBondContact O-CB 3.47Å; A768-E771 PolarHBondContact O-N 3.12Å; A768-G772 PolarHBondContact O-N 3.18Å; A768-G772 VanDerWaalsContact O-N 3.07Å |
| 769 | F | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 173.1 | 175 | -93.4 | 0 | 0 | 0 | 112.2 | F652 I655 G656 A659 F677 M681 Q765 M766 M767 E771 G772 F773 M794 | F652-F769 HydrophobicContact CB-CB 4.36Å; F652-F769 WeakPolarHBondContact O-CA 3.35Å; I655-F769 HydrophobicContact CG2-CD2 4.15Å; I655-F769 HydrophobicContact CG2-CE2 4.07Å; G656-F769 WeakPolarHBondContact CA-O 3.39Å; A659-F769 HydrophobicContact CB-CE2 4.04Å; A659-F769 HydrophobicContact CB-CZ 4.04Å; F677-F769 HydrophobicContact CE1-CD1 4.49Å; F677-F769 AromaticContact CE1-CE1 3.79Å; F677-F769 HydrophobicContact CE1-CE1 3.79Å; F677-F769 HydrophobicContact CE1-CZ 4.01Å; F677-F769 AromaticContact CZ-CD1 3.92Å; F677-F769 HydrophobicContact CZ-CD1 3.92Å; F677-F769 HydrophobicContact CZ-CD2 4.49Å; F677-F769 AromaticContact CZ-CE1 3.56Å; F677-F769 HydrophobicContact CZ-CE1 3.56Å; F677-F769 HydrophobicContact CZ-CE2 4.17Å; F677-F769 HydrophobicContact CZ-CG 4.39Å; F677-F769 AromaticContact CZ-CZ 3.7Å; F677-F769 HydrophobicContact CZ-CZ 3.7Å; M681-F769 HydrophobicContact CE-CE1 3.97Å; M681-F769 HydrophobicContact CG-CE1 4.37Å; M681-F769 HydrophobicContact SD-CE1 3.81Å; Q765-F769 PolarHBondContact O-N 2.88Å; M766-F769 HydrophobicContact SD-CD1 4.16Å; M767-F769 PolarHBondContact O-N 2.86Å; F769-E771 VanDerWaalsContact C-N 3.33Å; F769-E771 PolarHBondContact O-N 2.67Å; F769-G772 PolarHBondContact O-N 3.16Å; F769-F773 HydrophobicContact CZ-CD2 4.47Å; F769-F773 WeakPolarHBondContact O-CB 3.39Å; F769-F773 PolarHBondContact O-N 2.9Å; F769-M794 HydrophobicContact CZ-CE 4.23Å |
| 770 | K | 97.4 | Very high | 95.3 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 19% | 0.191 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 176.5 | -75.8 | 169.6 | -178.8 | 172.1 | 0 | 112.5 | M680 M766 M767 F773 F774 | M680-K770 WeakPolarHBondContact O-CE 3.09Å; M680-K770 PolarHBondContact O-NZ 2.7Å; M766-K770 HydrophobicContact CG-CD 4.17Å; M766-K770 WeakPolarHBondContact O-CB 3.46Å; M766-K770 WeakPolarHBondContact O-CD 3.3Å; M766-K770 VanDerWaalsContact O-CG 3.23Å; M766-K770 WeakPolarHBondContact O-CG 3.34Å; M766-K770 PolarHBondContact O-N 2.86Å; M766-K770 HydrophobicContact SD-CD 4.14Å; M766-K770 WeakPolarHBondContact SD-CE 3.36Å; M766-K770 HydrophobicContact SD-CG 4.03Å; M767-K770 PolarHBondContact O-N 3.31Å; K770-F773 PolarHBondContact O-N 2.93Å; K770-F774 HydrophobicContact CB-CD2 3.94Å; K770-F774 HydrophobicContact CB-CE2 3.88Å; K770-F774 HydrophobicContact CD-CE2 4.48Å; K770-F774 HydrophobicContact CG-CD2 4.49Å; K770-F774 HydrophobicContact CG-CE2 3.93Å; K770-F774 WeakPolarHBondContact O-CB 3.41Å; K770-F774 WeakPolarHBondContact O-CD2 3.49Å; K770-F774 PolarHBondContact O-N 2.88Å |
| 771 | E | 96.6 | Very high | 95.4 | Very high | 100 Ų | 100 | 47.3 Ų | 47.3 | 47% | 0.467 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58 | -51 | 176.3 | -169.8 | -166.8 | 163.8 | 0 | 0 | 110.8 | K653 M767 A768 F769 F773 E775 | K653-E771 HydrophobicContact CD-CG 4.37Å; K653-E771 IonicContact NZ-OE1 3.29Å; K653-E771 PolarHBondContact NZ-OE1 2.83Å; M767-E771 WeakPolarHBondContact O-CB 3.41Å; M767-E771 PolarHBondContact O-N 3.23Å; A768-E771 WeakPolarHBondContact O-CB 3.47Å; A768-E771 PolarHBondContact O-N 3.12Å; F769-E771 VanDerWaalsContact C-N 3.33Å; F769-E771 PolarHBondContact O-N 2.67Å; E771-F773 VanDerWaalsContact C-N 3.35Å; E771-F773 PolarHBondContact O-N 2.71Å; E771-E775 WeakPolarHBondContact O-CG 3.4Å; E771-E775 PolarHBondContact O-N 3.3Å |
| 772 | G | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | K653 R657 A768 F769 L776 | K653-G772 WeakPolarHBondContact O-CA 3.48Å; R657-G772 WeakPolarHBondContact CA-O 3.48Å; R657-G772 PolarHBondContact N-O 3.38Å; A768-G772 PolarHBondContact O-N 3.18Å; A768-G772 VanDerWaalsContact O-N 3.07Å; F769-G772 PolarHBondContact O-N 3.16Å; G772-L776 WeakPolarHBondContact O-CD1 3.24Å |
| 773 | F | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73 | -48.5 | -179.5 | -175.2 | -91.2 | 0 | 0 | 0 | 112.5 | G656 A659 V663 M681 F769 K770 E771 E775 L776 I777 I782 M794 | G656-F773 VanDerWaalsContact O-CA 3.25Å; G656-F773 WeakPolarHBondContact O-CA 3.22Å; G656-F773 PolarHBondContact O-N 3.41Å; A659-F773 HydrophobicContact CB-CD2 3.84Å; A659-F773 HydrophobicContact CB-CE2 4.2Å; V663-F773 HydrophobicContact CG2-CE2 4.03Å; V663-F773 HydrophobicContact CG2-CZ 4.17Å; M681-F773 HydrophobicContact CE-CD1 3.76Å; M681-F773 HydrophobicContact CE-CD2 4.08Å; M681-F773 HydrophobicContact CE-CE1 3.59Å; M681-F773 HydrophobicContact CE-CE2 3.93Å; M681-F773 HydrophobicContact CE-CG 4Å; M681-F773 HydrophobicContact CE-CZ 3.68Å; F769-F773 HydrophobicContact CZ-CD2 4.47Å; F769-F773 WeakPolarHBondContact O-CB 3.39Å; F769-F773 PolarHBondContact O-N 2.9Å; K770-F773 PolarHBondContact O-N 2.93Å; E771-F773 VanDerWaalsContact C-N 3.35Å; E771-F773 PolarHBondContact O-N 2.71Å; F773-E775 VanDerWaalsContact C-N 3.29Å; F773-E775 PolarHBondContact O-N 3.29Å; F773-L776 PolarHBondContact O-N 2.83Å; F773-L776 VanDerWaalsContact O-N 3.16Å; F773-I777 HydrophobicContact CD1-CB 4.4Å; F773-I777 HydrophobicContact CE1-CB 3.98Å; F773-I777 HydrophobicContact CE1-CG1 4.24Å; F773-I777 HydrophobicContact CE1-CG2 4.2Å; F773-I777 HydrophobicContact CZ-CB 4.39Å; F773-I777 HydrophobicContact CZ-CG1 4.16Å; F773-I777 PolarHBondContact O-N 3.07Å; F773-I777 VanDerWaalsContact O-N 3.11Å; F773-I782 HydrophobicContact CE1-CD1 4.43Å; F773-I782 HydrophobicContact CE1-CG1 4.19Å; F773-I782 HydrophobicContact CZ-CD1 4.38Å; F773-M794 HydrophobicContact CE2-CE 4.32Å; F773-M794 HydrophobicContact CE2-SD 4.3Å; F773-M794 HydrophobicContact CZ-SD 4.46Å |
| 774 | F | 96.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 23% | 0.232 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -77.1 | -10.2 | -177.1 | -62.7 | -54.4 | 0 | 0 | 0 | 113.8 | K770 L776 I777 K779 | K770-F774 HydrophobicContact CB-CD2 3.94Å; K770-F774 HydrophobicContact CB-CE2 3.88Å; K770-F774 HydrophobicContact CD-CE2 4.48Å; K770-F774 HydrophobicContact CG-CD2 4.49Å; K770-F774 HydrophobicContact CG-CE2 3.93Å; K770-F774 WeakPolarHBondContact O-CB 3.41Å; K770-F774 WeakPolarHBondContact O-CD2 3.49Å; K770-F774 PolarHBondContact O-N 2.88Å; F774-L776 PolarHBondContact O-N 3.26Å; F774-I777 WeakPolarHBondContact CA-O 3.39Å; F774-I777 WeakPolarHBondContact CD1-O 3.21Å; F774-K779 HydrophobicContact CD1-CB 3.9Å; F774-K779 HydrophobicContact CD1-CG 4.35Å; F774-K779 HydrophobicContact CE1-CB 4Å; F774-K779 HydrophobicContact CE1-CG 4.01Å; F774-K779 HydrophobicContact CG-CB 4.38Å; F774-K779 HydrophobicContact CZ-CG 4.12Å |
| 775 | E | 94.8 | Very high | 94 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.1 | 163.9 | -88.6 | -178 | -177.3 | 0 | 0 | 112.8 | P583 K653 R657 E771 F773 | P583-E775 HydrophobicContact CB-CB 3.91Å; P583-E775 HydrophobicContact CB-CG 4.38Å; P583-E775 HydrophobicContact CG-CB 3.98Å; P583-E775 HydrophobicContact CG-CG 3.88Å; P583-E775 WeakPolarHBondContact CG-OE2 3.49Å; K653-E775 WeakPolarHBondContact CE-OE1 3.27Å; K653-E775 IonicContact NZ-OE1 3.52Å; K653-E775 PolarHBondContact NZ-OE1 2.66Å; R657-E775 IonicContact CZ-OE2 3.11Å; R657-E775 IonicContact NE-OE2 2.8Å; R657-E775 PolarHBondContact NE-OE2 3.43Å; R657-E775 IonicContact NH2-OE1 3.35Å; R657-E775 PolarHBondContact NH2-OE1 3.21Å; R657-E775 IonicContact NH2-OE2 2.62Å; R657-E775 PolarHBondContact NH2-OE2 3.47Å; E771-E775 WeakPolarHBondContact O-CG 3.4Å; E771-E775 PolarHBondContact O-N 3.3Å; F773-E775 VanDerWaalsContact C-N 3.29Å; F773-E775 PolarHBondContact O-N 3.29Å |
| 776 | L | 94.1 | Very high | 93 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -43.4 | 179 | -67.5 | 97 | 0 | 0 | 0 | 113 | L586 K587 R657 M661 G772 F773 F774 | L586-L776 HydrophobicContact CB-CD2 3.71Å; L586-L776 HydrophobicContact CD1-CD1 4.35Å; L586-L776 HydrophobicContact CD1-CD2 4.39Å; K587-L776 VanDerWaalsContact CE-O 3.28Å; K587-L776 WeakPolarHBondContact CE-O 3.44Å; K587-L776 HydrophobicContact CG-CD2 4.46Å; R657-L776 HydrophobicContact CB-CD1 4.23Å; R657-L776 HydrophobicContact CG-CD1 4.16Å; M661-L776 HydrophobicContact CB-CD2 4.27Å; M661-L776 HydrophobicContact CG-CD2 3.41Å; M661-L776 VanDerWaalsContact CG-CD2 3.41Å; G772-L776 WeakPolarHBondContact O-CD1 3.24Å; F773-L776 PolarHBondContact O-N 2.83Å; F773-L776 VanDerWaalsContact O-N 3.16Å; F774-L776 PolarHBondContact O-N 3.26Å |
| 777 | I | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -104.8 | 119.2 | -174.1 | -56.1 | -59.3 | 0 | 0 | 0 | 110.3 | F546 L550 G660 V663 F664 F773 F774 K779 I782 | F546-I777 HydrophobicContact CE2-CG2 4.05Å; F546-I777 HydrophobicContact CZ-CG2 4.04Å; L550-I777 HydrophobicContact CD1-CD1 4.42Å; L550-I777 HydrophobicContact CD2-CD1 4.09Å; G660-I777 WeakPolarHBondContact O-CD1 3.38Å; V663-I777 HydrophobicContact CB-CD1 4.15Å; V663-I777 HydrophobicContact CB-CG1 4.29Å; V663-I777 HydrophobicContact CG1-CD1 3.9Å; V663-I777 HydrophobicContact CG1-CG1 4.18Å; F664-I777 HydrophobicContact CB-CD1 3.85Å; F664-I777 HydrophobicContact CD2-CD1 4.3Å; F773-I777 HydrophobicContact CD1-CB 4.4Å; F773-I777 HydrophobicContact CE1-CB 3.98Å; F773-I777 HydrophobicContact CE1-CG1 4.24Å; F773-I777 HydrophobicContact CE1-CG2 4.2Å; F773-I777 HydrophobicContact CZ-CB 4.39Å; F773-I777 HydrophobicContact CZ-CG1 4.16Å; F773-I777 PolarHBondContact O-N 3.07Å; F773-I777 VanDerWaalsContact O-N 3.11Å; F774-I777 WeakPolarHBondContact CA-O 3.39Å; F774-I777 WeakPolarHBondContact CD1-O 3.21Å; I777-K779 PolarHBondContact O-N 3.44Å; I777-I782 HydrophobicContact CG2-CD1 3.88Å; I777-I782 HydrophobicContact CG2-CG1 3.41Å; I777-I782 VanDerWaalsContact CG2-CG1 3.41Å |
| 778 | P | 93.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 43% | 0.429 | 20% | 0.199 | S | C | . | . | trans | -60.6 | 123.8 | 175.4 | -23.9 | 34 | 0 | 0 | 0 | 111.9 | D780 L781 | P778-D780 VanDerWaalsContact C-N 3.31Å; P778-D780 PolarHBondContact O-N 3.03Å; P778-L781 HydrophobicContact CB-CD1 4.02Å; P778-L781 HydrophobicContact CB-CG 4.08Å; P778-L781 HydrophobicContact CG-CD1 3.91Å; P778-L781 WeakPolarHBondContact O-CB 3.18Å; P778-L781 PolarHBondContact O-N 2.97Å | ||
| 779 | K | 92.8 | Very high | 89.5 | Confident | 70 Ų | 70 | 41 Ų | 41 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -49.7 | -45.8 | -174.9 | -177.5 | -170.1 | 174.1 | -162.4 | 0 | 113.6 | F774 I777 L781 I782 R783 | F774-K779 HydrophobicContact CD1-CB 3.9Å; F774-K779 HydrophobicContact CD1-CG 4.35Å; F774-K779 HydrophobicContact CE1-CB 4Å; F774-K779 HydrophobicContact CE1-CG 4.01Å; F774-K779 HydrophobicContact CG-CB 4.38Å; F774-K779 HydrophobicContact CZ-CG 4.12Å; I777-K779 PolarHBondContact O-N 3.44Å; K779-L781 VanDerWaalsContact C-N 3.26Å; K779-L781 PolarHBondContact O-N 3.31Å; K779-I782 PolarHBondContact O-N 3.19Å; K779-R783 PolarHBondContact O-N 3.43Å |
| 780 | D | 92.1 | Very high | 88.8 | Confident | 105 Ų | 105 | 41 Ų | 41 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -71.6 | -19.5 | -175.8 | -57.9 | -61.3 | 0 | 0 | 0 | 113.6 | P778 I782 R783 | P778-D780 VanDerWaalsContact C-N 3.31Å; P778-D780 PolarHBondContact O-N 3.03Å; D780-I782 VanDerWaalsContact C-N 3.28Å; D780-R783 WeakPolarHBondContact OD1-CD 3.45Å; D780-R783 IonicContact OD1-NH1 3.95Å; D780-R783 PolarHBondContact OD1-NH1 3.49Å |
| 781 | L | 92.6 | Very high | 87.9 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.131 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.8 | -19.9 | 169.9 | -62.4 | -178.1 | 0 | 0 | 0 | 112.5 | F545 F546 K549 L550 P778 K779 I784 | F545-L781 HydrophobicContact CE1-CD2 4.2Å; F546-L781 HydrophobicContact CD2-CB 3.77Å; F546-L781 VanDerWaalsContact CD2-O 3.29Å; F546-L781 WeakPolarHBondContact CD2-O 3.17Å; F546-L781 HydrophobicContact CE2-CB 3.87Å; K549-L781 HydrophobicContact CB-CD1 3.66Å; K549-L781 HydrophobicContact CB-CD2 3.57Å; K549-L781 HydrophobicContact CB-CG 4.28Å; K549-L781 HydrophobicContact CG-CD2 3.93Å; L550-L781 HydrophobicContact CD2-CD1 4.23Å; P778-L781 HydrophobicContact CB-CD1 4.02Å; P778-L781 HydrophobicContact CB-CG 4.08Å; P778-L781 HydrophobicContact CG-CD1 3.91Å; P778-L781 WeakPolarHBondContact O-CB 3.18Å; P778-L781 PolarHBondContact O-N 2.97Å; K779-L781 VanDerWaalsContact C-N 3.26Å; K779-L781 PolarHBondContact O-N 3.31Å; L781-I784 WeakPolarHBondContact O-CG1 3.36Å |
| 782 | I | 90.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -89.1 | -27.8 | 175.9 | -71.4 | -72.7 | 0 | 0 | 0 | 111.7 | F546 L682 F773 I777 K779 D780 I784 F785 L790 L793 | F546-I782 HydrophobicContact CE2-CD1 3.75Å; F546-I782 HydrophobicContact CE2-CG1 4.14Å; F546-I782 HydrophobicContact CZ-CD1 3.94Å; L682-I782 HydrophobicContact CD2-CG2 3.84Å; L682-I782 VanDerWaalsContact CD2-O 3.28Å; L682-I782 WeakPolarHBondContact CD2-O 3.25Å; F773-I782 HydrophobicContact CE1-CD1 4.43Å; F773-I782 HydrophobicContact CE1-CG1 4.19Å; F773-I782 HydrophobicContact CZ-CD1 4.38Å; I777-I782 HydrophobicContact CG2-CD1 3.88Å; I777-I782 HydrophobicContact CG2-CG1 3.41Å; I777-I782 VanDerWaalsContact CG2-CG1 3.41Å; K779-I782 PolarHBondContact O-N 3.19Å; D780-I782 VanDerWaalsContact C-N 3.28Å; I782-I784 PolarHBondContact O-N 3.08Å; I782-I784 VanDerWaalsContact O-N 3.1Å; I782-F785 PolarHBondContact O-N 3.11Å; I782-F785 VanDerWaalsContact O-N 3.16Å; I782-L790 HydrophobicContact CD1-CD1 3.98Å; I782-L790 HydrophobicContact CG2-CD1 3.9Å; I782-L790 HydrophobicContact CG2-CD2 4.05Å; I782-L793 HydrophobicContact CD1-CD2 3.58Å |
| 783 | R | 88.9 | Confident | 86.1 | Confident | 140 Ų | 140 | 38.3 Ų | 38.3 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -5.9 | -179.8 | -67.2 | 176.9 | 74.9 | -159 | 1 | 115.1 | K779 D780 F785 | K779-R783 PolarHBondContact O-N 3.43Å; D780-R783 WeakPolarHBondContact OD1-CD 3.45Å; D780-R783 IonicContact OD1-NH1 3.95Å; D780-R783 PolarHBondContact OD1-NH1 3.49Å; R783-F785 VanDerWaalsContact C-N 3.32Å |
| 784 | I | 86.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 29% | 0.292 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19.7 | 173 | 72 | -176 | 0 | 0 | 0 | 112.8 | K542 F545 F546 L781 I782 | K542-I784 HydrophobicContact CB-CD1 4.04Å; K542-I784 HydrophobicContact CB-CG1 4.28Å; K542-I784 WeakPolarHBondContact CD-O 3.1Å; K542-I784 WeakPolarHBondContact O-CD1 3.39Å; F545-I784 HydrophobicContact CD1-CD1 3.86Å; F545-I784 HydrophobicContact CE1-CD1 4.42Å; F546-I784 HydrophobicContact CB-CD1 4.3Å; L781-I784 WeakPolarHBondContact O-CG1 3.36Å; I782-I784 PolarHBondContact O-N 3.08Å; I782-I784 VanDerWaalsContact O-N 3.1Å |
| 785 | F | 81.2 | Confident | 84.8 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -94 | 149.8 | -179.1 | -60.2 | -72.5 | 0 | 0 | 0 | 111 | Y539 K542 F546 L682 I782 R783 E789 L793 | Y539-F785 HydrophobicContact CD2-CD1 4.01Å; Y539-F785 AromaticContact CD2-CE1 3.99Å; Y539-F785 HydrophobicContact CD2-CE1 3.99Å; Y539-F785 AromaticContact CE2-CD1 3.85Å; Y539-F785 HydrophobicContact CE2-CD1 3.85Å; Y539-F785 AromaticContact CE2-CE1 3.7Å; Y539-F785 HydrophobicContact CE2-CE1 3.7Å; K542-F785 HydrophobicContact CB-CD1 3.97Å; K542-F785 HydrophobicContact CB-CE1 3.49Å; K542-F785 VanDerWaalsContact CB-CE1 3.49Å; K542-F785 HydrophobicContact CB-CZ 4.14Å; K542-F785 HydrophobicContact CD-CD1 4.09Å; K542-F785 HydrophobicContact CD-CE1 4.44Å; F546-F785 HydrophobicContact CB-CE2 4.1Å; F546-F785 HydrophobicContact CB-CZ 3.85Å; F546-F785 AromaticContact CD2-CE2 3.8Å; F546-F785 HydrophobicContact CD2-CE2 3.8Å; F546-F785 HydrophobicContact CD2-CZ 4.37Å; F546-F785 HydrophobicContact CE2-CE2 4.36Å; F546-F785 AromaticContact CG-CE2 3.92Å; F546-F785 HydrophobicContact CG-CE2 3.92Å; F546-F785 HydrophobicContact CG-CZ 4.03Å; L682-F785 WeakPolarHBondContact CD2-O 3.44Å; I782-F785 PolarHBondContact O-N 3.11Å; I782-F785 VanDerWaalsContact O-N 3.16Å; R783-F785 VanDerWaalsContact C-N 3.32Å; F785-E789 WeakPolarHBondContact CA-OE2 3.34Å; F785-E789 HydrophobicContact CB-CB 3.82Å; F785-E789 HydrophobicContact CD1-CB 3.94Å; F785-E789 HydrophobicContact CG-CB 4.32Å; F785-L793 HydrophobicContact CD2-CD2 3.95Å; F785-L793 HydrophobicContact CE2-CD2 3.64Å; F785-L793 HydrophobicContact CZ-CD2 4.12Å |
| 786 | D | 77.4 | Confident | 83.8 | Confident | 53 Ų | 53 | 33.4 Ų | 33.4 | 28% | 0.283 | 17% | 0.165 | S | C | . | . | trans | -79.3 | 176.1 | 161 | 81.5 | 37.7 | 0 | 0 | 0 | 113 | L682 N788 E789 L790 | L682-D786 VanDerWaalsContact CD1-C 3.45Å; D786-N788 VanDerWaalsContact C-N 3.3Å; D786-N788 PolarHBondContact O-N 3.1Å; D786-N788 WeakPolarHBondContact OD1-CA 3.49Å; D786-N788 WeakPolarHBondContact OD1-CB 3.27Å; D786-N788 PolarHBondContact OD1-N 3.37Å; D786-N788 PolarHBondContact OD1-ND2 3.42Å; D786-E789 PolarHBondContact N-OE2 3.29Å; D786-E789 PolarHBondContact O-N 3.33Å; D786-E789 PolarHBondContact OD1-N 2.97Å; D786-L790 WeakPolarHBondContact O-CB 3.5Å; D786-L790 PolarHBondContact O-N 2.59Å | ||
| 787 | E | 74.6 | Confident | 82.3 | Confident | 14 Ų | 14 | 34.5 Ų | 34.5 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67 | -27.8 | -175.5 | 57.7 | -91.3 | -150.6 | 0 | 0 | 114.1 | R675 K679 L682 K684 E791 | R675-E787 HydrophobicContact CG-CG 3.91Å; R675-E787 IonicContact CZ-OE1 3.38Å; R675-E787 IonicContact NE-OE1 3.91Å; R675-E787 PolarHBondContact NE-OE1 3.09Å; R675-E787 VanDerWaalsContact NE-OE1 3.15Å; R675-E787 IonicContact NH2-OE1 3.45Å; R675-E787 PolarHBondContact NH2-OE1 2.87Å; K679-E787 WeakPolarHBondContact CE-OE1 3.3Å; K679-E787 HydrophobicContact CG-CB 3.95Å; K679-E787 HydrophobicContact CG-CG 4Å; K679-E787 IonicContact NZ-OE1 3.91Å; L682-E787 HydrophobicContact CD1-CB 4.03Å; K684-E787 VanDerWaalsContact CD-OE2 3.28Å; K684-E787 WeakPolarHBondContact CD-OE2 3.44Å; K684-E787 WeakPolarHBondContact CE-OE2 3.31Å; K684-E787 IonicContact NZ-OE2 3.53Å; K684-E787 PolarHBondContact NZ-OE2 3.27Å; E787-E791 PolarHBondContact O-N 2.97Å |
| 788 | N | 66.5 | Low | 80.5 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -81.9 | -39 | 175.3 | -28.2 | -86.3 | 0 | 0 | 0 | 109.6 | D786 L790 E791 L792 | D786-N788 VanDerWaalsContact C-N 3.3Å; D786-N788 PolarHBondContact O-N 3.1Å; D786-N788 WeakPolarHBondContact OD1-CA 3.49Å; D786-N788 WeakPolarHBondContact OD1-CB 3.27Å; D786-N788 PolarHBondContact OD1-N 3.37Å; D786-N788 PolarHBondContact OD1-ND2 3.42Å; N788-L790 VanDerWaalsContact C-N 3.29Å; N788-L790 PolarHBondContact O-N 2.88Å; N788-E791 WeakPolarHBondContact O-CB 3.4Å; N788-E791 PolarHBondContact O-N 2.8Å; N788-L792 WeakPolarHBondContact O-CB 3.38Å; N788-L792 WeakPolarHBondContact O-CD1 3.36Å; N788-L792 WeakPolarHBondContact O-CG 3.49Å; N788-L792 PolarHBondContact O-N 3.27Å |
| 789 | E | 77.5 | Confident | 79.1 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -35.4 | 172 | -67.5 | -175.3 | 124 | 0 | 0 | 112.3 | Y539 K542 F785 D786 L792 L793 | Y539-E789 HydrophobicContact CD2-CB 3.82Å; Y539-E789 HydrophobicContact CD2-CG 3.77Å; Y539-E789 HydrophobicContact CE2-CB 3.98Å; Y539-E789 HydrophobicContact CE2-CG 4.41Å; K542-E789 WeakPolarHBondContact CD-OE1 3.38Å; K542-E789 IonicContact NZ-OE1 3.2Å; K542-E789 PolarHBondContact NZ-OE1 3.43Å; K542-E789 IonicContact NZ-OE2 3.9Å; K542-E789 PolarHBondContact NZ-OE2 2.89Å; F785-E789 WeakPolarHBondContact CA-OE2 3.34Å; F785-E789 HydrophobicContact CB-CB 3.82Å; F785-E789 HydrophobicContact CD1-CB 3.94Å; F785-E789 HydrophobicContact CG-CB 4.32Å; D786-E789 PolarHBondContact N-OE2 3.29Å; D786-E789 PolarHBondContact O-N 3.33Å; D786-E789 PolarHBondContact OD1-N 2.97Å; E789-L792 PolarHBondContact O-N 3.3Å; E789-L793 WeakPolarHBondContact O-CB 3.21Å; E789-L793 PolarHBondContact O-N 3.36Å |
| 790 | L | 82.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.9 | -39 | 174.5 | 179.4 | 57.1 | 0 | 0 | 0 | 112.4 | Y678 M681 L682 I782 D786 N788 L792 L793 M794 | Y678-L790 HydrophobicContact CD1-CD2 4.48Å; Y678-L790 HydrophobicContact CD1-CG 4.23Å; M681-L790 HydrophobicContact CB-CD2 3.86Å; M681-L790 HydrophobicContact CE-CD2 4.31Å; M681-L790 HydrophobicContact SD-CD2 4.14Å; L682-L790 HydrophobicContact CD1-CB 4.42Å; L682-L790 HydrophobicContact CD1-CD2 4.18Å; L682-L790 HydrophobicContact CD2-CD2 4.07Å; L682-L790 HydrophobicContact CG-CD2 3.79Å; I782-L790 HydrophobicContact CD1-CD1 3.98Å; I782-L790 HydrophobicContact CG2-CD1 3.9Å; I782-L790 HydrophobicContact CG2-CD2 4.05Å; D786-L790 WeakPolarHBondContact O-CB 3.5Å; D786-L790 PolarHBondContact O-N 2.59Å; N788-L790 VanDerWaalsContact C-N 3.29Å; N788-L790 PolarHBondContact O-N 2.88Å; L790-L792 VanDerWaalsContact C-N 3.33Å; L790-L793 HydrophobicContact CD1-CD2 4.25Å; L790-L793 PolarHBondContact O-N 3.4Å; L790-M794 HydrophobicContact CD1-CG 4.14Å; L790-M794 HydrophobicContact CD1-SD 3.87Å; L790-M794 HydrophobicContact CG-SD 4.1Å; L790-M794 WeakPolarHBondContact O-CG 3.45Å; L790-M794 PolarHBondContact O-N 2.9Å; L790-M794 VanDerWaalsContact O-N 3.09Å |
| 791 | E | 78.4 | Confident | 77.5 | Confident | 47 Ų | 47 | 29.6 Ų | 29.6 | 22% | 0.22 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.2 | -49.2 | 168.8 | 172.4 | 151.2 | -118.2 | 0 | 0 | 110.9 | Y678 E787 N788 L793 M794 C795 G796 | Y678-E791 HydrophobicContact CD1-CB 4.44Å; Y678-E791 HydrophobicContact CD2-CB 4.07Å; Y678-E791 HydrophobicContact CE1-CB 3.99Å; Y678-E791 HydrophobicContact CE2-CB 3.58Å; Y678-E791 VanDerWaalsContact CE2-CD 3.45Å; Y678-E791 HydrophobicContact CE2-CG 3.89Å; Y678-E791 VanDerWaalsContact CE2-OE1 3.27Å; Y678-E791 WeakPolarHBondContact CE2-OE1 3.42Å; Y678-E791 HydrophobicContact CG-CB 4.46Å; Y678-E791 VanDerWaalsContact OH-CD 3.3Å; Y678-E791 WeakPolarHBondContact OH-CG 3.11Å; Y678-E791 PolarHBondContact OH-OE1 3.37Å; E787-E791 PolarHBondContact O-N 2.97Å; N788-E791 WeakPolarHBondContact O-CB 3.4Å; N788-E791 PolarHBondContact O-N 2.8Å; E791-L793 VanDerWaalsContact C-N 3.28Å; E791-L793 PolarHBondContact O-N 3.37Å; E791-M794 PolarHBondContact O-N 3.39Å; E791-M794 VanDerWaalsContact O-N 3.15Å; E791-C795 WeakPolarHBondContact O-CA 3.42Å; E791-C795 WeakPolarHBondContact O-CB 3.25Å; E791-C795 PolarHBondContact O-N 3.13Å; E791-G796 PolarHBondContact O-N 2.8Å |
| 792 | L | 72.1 | Confident | 77 | Confident | 32 Ų | 32 | 28.6 Ų | 28.6 | 17% | 0.168 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.2 | -26.9 | -178.3 | -67 | 164 | 0 | 0 | 0 | 112.9 | N788 E789 L790 G796 L797 M852 | N788-L792 WeakPolarHBondContact O-CB 3.38Å; N788-L792 WeakPolarHBondContact O-CD1 3.36Å; N788-L792 WeakPolarHBondContact O-CG 3.49Å; N788-L792 PolarHBondContact O-N 3.27Å; E789-L792 PolarHBondContact O-N 3.3Å; L790-L792 VanDerWaalsContact C-N 3.33Å; L792-G796 WeakPolarHBondContact O-CA 3.35Å; L792-G796 PolarHBondContact O-N 2.92Å; L792-L797 HydrophobicContact CD2-CD2 3.57Å; L792-L797 HydrophobicContact CD2-CG 4.28Å; L792-M852 HydrophobicContact CB-CB 4.22Å; L792-M852 HydrophobicContact CB-CG 4.34Å; L792-M852 HydrophobicContact CB-SD 4.02Å; L792-M852 HydrophobicContact CD1-CE 3.72Å; L792-M852 HydrophobicContact CD1-CG 3.92Å; L792-M852 HydrophobicContact CD1-SD 3.5Å; L792-M852 VanDerWaalsContact CD1-SD 3.5Å; L792-M852 HydrophobicContact CG-CG 4.5Å; L792-M852 HydrophobicContact CG-SD 4.32Å |
| 793 | L | 83.8 | Confident | 76.6 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.6 | -33.1 | 171.7 | -179.5 | 64.4 | 0 | 0 | 0 | 113.4 | Y543 F546 V663 I782 F785 E789 L790 E791 | Y543-L793 HydrophobicContact CD2-CD1 3.83Å; Y543-L793 HydrophobicContact CE2-CD1 3.87Å; F546-L793 HydrophobicContact CD1-CD1 4.33Å; F546-L793 HydrophobicContact CE1-CD1 4.1Å; F546-L793 HydrophobicContact CE1-CD2 4.17Å; F546-L793 HydrophobicContact CZ-CD2 4.18Å; V663-L793 HydrophobicContact CG1-CD1 4.42Å; V663-L793 HydrophobicContact CG1-CD2 4.12Å; V663-L793 HydrophobicContact CG1-CG 4.12Å; I782-L793 HydrophobicContact CD1-CD2 3.58Å; F785-L793 HydrophobicContact CD2-CD2 3.95Å; F785-L793 HydrophobicContact CE2-CD2 3.64Å; F785-L793 HydrophobicContact CZ-CD2 4.12Å; E789-L793 WeakPolarHBondContact O-CB 3.21Å; E789-L793 PolarHBondContact O-N 3.36Å; L790-L793 HydrophobicContact CD1-CD2 4.25Å; L790-L793 PolarHBondContact O-N 3.4Å; E791-L793 VanDerWaalsContact C-N 3.28Å; E791-L793 PolarHBondContact O-N 3.37Å |
| 794 | M | 86.7 | Confident | 76.4 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -94 | -40.1 | -176.4 | -71.4 | 177.3 | 60.3 | 0 | 0 | 113.4 | A659 V663 L668 L669 Y678 M681 F769 F773 L790 E791 | A659-M794 HydrophobicContact CB-CE 4.25Å; V663-M794 HydrophobicContact CG2-CB 4.49Å; V663-M794 HydrophobicContact CG2-CG 3.69Å; L668-M794 WeakPolarHBondContact CA-O 3.49Å; L669-M794 PolarHBondContact N-O 2.95Å; Y678-M794 HydrophobicContact CD1-SD 4.46Å; Y678-M794 HydrophobicContact CE1-SD 4.37Å; M681-M794 HydrophobicContact CE-CE 4.26Å; M681-M794 HydrophobicContact CE-SD 3.76Å; M681-M794 HydrophobicContact SD-CE 4.29Å; M681-M794 HydrophobicContact SD-SD 3.93Å; F769-M794 HydrophobicContact CZ-CE 4.23Å; F773-M794 HydrophobicContact CE2-CE 4.32Å; F773-M794 HydrophobicContact CE2-SD 4.3Å; F773-M794 HydrophobicContact CZ-SD 4.46Å; L790-M794 HydrophobicContact CD1-CG 4.14Å; L790-M794 HydrophobicContact CD1-SD 3.87Å; L790-M794 HydrophobicContact CG-SD 4.1Å; L790-M794 WeakPolarHBondContact O-CG 3.45Å; L790-M794 PolarHBondContact O-N 2.9Å; L790-M794 VanDerWaalsContact O-N 3.09Å; E791-M794 PolarHBondContact O-N 3.39Å; E791-M794 VanDerWaalsContact O-N 3.15Å |
| 795 | C | 79.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -24.1 | -166 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | A671 E791 R849 | A671-C795 WeakPolarHBondContact O-CB 3.46Å; E791-C795 WeakPolarHBondContact O-CA 3.42Å; E791-C795 WeakPolarHBondContact O-CB 3.25Å; E791-C795 PolarHBondContact O-N 3.13Å; C795-R849 WeakPolarHBondContact O-CB 3.42Å; C795-R849 WeakPolarHBondContact O-CD 3.43Å; C795-R849 WeakPolarHBondContact O-CG 3.28Å; C795-R849 PolarHBondContact O-NE 3.33Å; C795-R849 VanDerWaalsContact O-NE 3.12Å |
| 796 | G | 72.7 | Confident | 76.8 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | 68.7 | -168.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E791 L792 | E791-G796 PolarHBondContact O-N 2.8Å; L792-G796 WeakPolarHBondContact O-CA 3.35Å; L792-G796 PolarHBondContact O-N 2.92Å | ||
| 797 | L | 62.3 | Low | 77.3 | Confident | 24 Ų | 24 | 31.4 Ų | 31.4 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 135 | 177.7 | -62.8 | 173.7 | 0 | 0 | 0 | 111.3 | V533 L792 R849 V850 P851 | V533-L797 HydrophobicContact CB-CD1 4.39Å; V533-L797 HydrophobicContact CG1-CD2 4.35Å; V533-L797 HydrophobicContact CG2-CD1 3.89Å; V533-L797 HydrophobicContact CG2-CD2 3.88Å; L792-L797 HydrophobicContact CD2-CD2 3.57Å; L792-L797 HydrophobicContact CD2-CG 4.28Å; L797-R849 WeakPolarHBondContact O-CD 3.49Å; L797-V850 HydrophobicContact CB-CB 4.22Å; L797-V850 HydrophobicContact CD1-CB 4.45Å; L797-V850 HydrophobicContact CD1-CG1 4.47Å; L797-V850 PolarHBondContact N-O 3.43Å; L797-V850 PolarHBondContact O-N 2.9Å; L797-P851 VanDerWaalsContact CD1-O 3.29Å; L797-P851 WeakPolarHBondContact CD1-O 3.4Å |
| 798 | G | 57.8 | Low | 78 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -84.1 | -36.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 799 | D | 64.7 | Low | 79.3 | Confident | 91 Ų | 91 | 30 Ų | 30 | 49% | 0.487 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -87.2 | 137.3 | 175.2 | -81.5 | -24.2 | 0 | 0 | 0 | 110.4 | ||
| 800 | V | 71.4 | Confident | 80.1 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | trans | -99.9 | 105.3 | 179.9 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | V802 W805 I838 L841 V850 F855 | V800-V802 PolarHBondContact O-N 3.09Å; V800-W805 HydrophobicContact CG1-CD2 4.49Å; V800-W805 HydrophobicContact CG1-CE3 3.47Å; V800-W805 VanDerWaalsContact CG1-CE3 3.47Å; V800-W805 HydrophobicContact CG1-CZ3 3.67Å; V800-I838 HydrophobicContact CG2-CG1 3.88Å; V800-L841 HydrophobicContact CG2-CD2 4.15Å; V800-V850 HydrophobicContact CG2-CG2 4.14Å; V800-F855 HydrophobicContact CG1-CE2 4.01Å; V800-F855 HydrophobicContact CG1-CZ 3.94Å | ||
| 801 | D | 79.4 | Confident | 80.7 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | trans | -72.1 | 112.7 | 171.4 | -173.7 | -26.1 | 0 | 0 | 0 | 110.5 | T529 A532 N803 D804 W805 | T529-D801 WeakPolarHBondContact O-CA 3.13Å; A532-D801 VanDerWaalsContact CA-OD2 3.3Å; A532-D801 WeakPolarHBondContact CA-OD2 3.06Å; A532-D801 WeakPolarHBondContact CB-OD2 3.3Å; D801-N803 WeakPolarHBondContact OD1-CA 3.34Å; D801-N803 VanDerWaalsContact OD1-CB 3.3Å; D801-N803 WeakPolarHBondContact OD1-CB 3.42Å; D801-N803 PolarHBondContact OD1-N 2.94Å; D801-D804 HydrophobicContact CB-CB 3.92Å; D801-D804 PolarHBondContact OD1-N 3.19Å; D801-W805 WeakPolarHBondContact O-CB 3.42Å; D801-W805 PolarHBondContact O-N 2.65Å | ||
| 802 | V | 82.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.9 | -25.2 | -177.4 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | T529 V800 R806 W826 V829 L830 | T529-V802 PolarHBondContact O-N 3.26Å; V800-V802 PolarHBondContact O-N 3.09Å; V802-R806 WeakPolarHBondContact O-CB 3.12Å; V802-R806 PolarHBondContact O-N 3.35Å; V802-W826 HydrophobicContact CG1-CE3 4.03Å; V802-W826 HydrophobicContact CG1-CZ3 4.19Å; V802-V829 HydrophobicContact CG1-CB 4.35Å; V802-V829 HydrophobicContact CG1-CG1 3.79Å; V802-V829 HydrophobicContact CG2-CG1 4.13Å; V802-L830 HydrophobicContact CB-CD2 4.03Å; V802-L830 HydrophobicContact CG1-CD2 3.68Å; V802-L830 HydrophobicContact CG1-CG 3.93Å |
| 803 | N | 82.9 | Confident | 82 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 32% | 0.321 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.4 | -45.5 | 174.1 | -64.4 | -37.5 | 0 | 0 | 0 | 110.4 | T529 D801 R806 Q807 | T529-N803 VanDerWaalsContact CB-ND2 3.34Å; T529-N803 WeakPolarHBondContact CB-ND2 3.06Å; T529-N803 WeakPolarHBondContact CG2-ND2 3.37Å; T529-N803 PolarHBondContact OG1-ND2 3.05Å; D801-N803 WeakPolarHBondContact OD1-CA 3.34Å; D801-N803 VanDerWaalsContact OD1-CB 3.3Å; D801-N803 WeakPolarHBondContact OD1-CB 3.42Å; D801-N803 PolarHBondContact OD1-N 2.94Å; N803-R806 PolarHBondContact O-N 3.4Å; N803-Q807 WeakPolarHBondContact O-CB 3.33Å; N803-Q807 VanDerWaalsContact O-CG 3.26Å; N803-Q807 WeakPolarHBondContact O-CG 3.41Å; N803-Q807 PolarHBondContact O-N 2.98Å; N803-Q807 PolarHBondContact O-NE2 2.9Å |
| 804 | D | 83.3 | Confident | 81.9 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.1 | 178.2 | 60.1 | 0 | 0 | 0 | 111.7 | D801 R806 Q807 N808 G854 F855 | D801-D804 HydrophobicContact CB-CB 3.92Å; D801-D804 PolarHBondContact OD1-N 3.19Å; D804-R806 PolarHBondContact O-N 3.17Å; D804-Q807 PolarHBondContact O-N 3.25Å; D804-N808 WeakPolarHBondContact O-CB 3.22Å; D804-N808 PolarHBondContact O-N 2.91Å; D804-N808 PolarHBondContact O-ND2 3.22Å; D804-N808 PolarHBondContact OD1-ND2 3.44Å; D804-G854 WeakPolarHBondContact OD2-CA 2.92Å; D804-F855 WeakPolarHBondContact OD2-CD2 3.34Å; D804-F855 PolarHBondContact OD2-N 2.85Å |
| 805 | W | 88.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 172 | -165.7 | -3.9 | 0 | 0 | 0 | 111.9 | V800 D801 N808 T809 W826 V829 L840 L841 F855 F867 | V800-W805 HydrophobicContact CG1-CD2 4.49Å; V800-W805 HydrophobicContact CG1-CE3 3.47Å; V800-W805 VanDerWaalsContact CG1-CE3 3.47Å; V800-W805 HydrophobicContact CG1-CZ3 3.67Å; D801-W805 WeakPolarHBondContact O-CB 3.42Å; D801-W805 PolarHBondContact O-N 2.65Å; W805-N808 PolarHBondContact O-N 3.37Å; W805-T809 WeakPolarHBondContact O-CB 3.49Å; W805-T809 PolarHBondContact O-N 2.93Å; W805-T809 PolarHBondContact O-OG1 2.87Å; W805-W826 HydrophobicContact CB-CH2 4.11Å; W805-W826 HydrophobicContact CB-CZ3 4.14Å; W805-W826 AromaticContact CD1-CH2 3.59Å; W805-W826 HydrophobicContact CD2-CH2 4.1Å; W805-W826 HydrophobicContact CD2-CZ3 4.07Å; W805-W826 HydrophobicContact CE3-CZ3 4.49Å; W805-W826 AromaticContact CG-CH2 3.65Å; W805-W826 HydrophobicContact CG-CH2 3.65Å; W805-W826 AromaticContact CG-CZ3 3.88Å; W805-W826 HydrophobicContact CG-CZ3 3.88Å; W805-W826 AromaticContact NE1-CH2 3.95Å; W805-V829 HydrophobicContact CE3-CG1 4.14Å; W805-V829 HydrophobicContact CZ3-CG1 3.95Å; W805-L840 HydrophobicContact CH2-CB 4.26Å; W805-L840 HydrophobicContact CH2-CD2 4.04Å; W805-L840 HydrophobicContact CH2-CG 3.89Å; W805-L840 HydrophobicContact CZ2-CG 4.3Å; W805-L841 HydrophobicContact CH2-CB 3.9Å; W805-L841 HydrophobicContact CH2-CD1 4.34Å; W805-L841 HydrophobicContact CZ2-CB 4.34Å; W805-L841 HydrophobicContact CZ2-CD1 4.05Å; W805-F855 HydrophobicContact CB-CD1 4.04Å; W805-F855 HydrophobicContact CB-CD2 3.68Å; W805-F855 HydrophobicContact CB-CE1 3.97Å; W805-F855 HydrophobicContact CB-CE2 3.58Å; W805-F855 HydrophobicContact CB-CG 3.92Å; W805-F855 HydrophobicContact CB-CZ 3.75Å; W805-F855 AromaticContact CD1-CD1 3.31Å; W805-F855 AromaticContact CD1-CE1 3.22Å; W805-F855 AromaticContact CD1-CZ 3.85Å; W805-F855 HydrophobicContact CD2-CD1 4.31Å; W805-F855 AromaticContact CD2-CE1 3.5Å; W805-F855 HydrophobicContact CD2-CE1 3.5Å; W805-F855 VanDerWaalsContact CD2-CE1 3.5Å; W805-F855 HydrophobicContact CD2-CE2 4.15Å; W805-F855 AromaticContact CD2-CZ 3.4Å; W805-F855 HydrophobicContact CD2-CZ 3.4Å; W805-F855 VanDerWaalsContact CD2-CZ 3.4Å; W805-F855 AromaticContact CE2-CE1 3.56Å; W805-F855 AromaticContact CE2-CZ 3.89Å; W805-F855 HydrophobicContact CE3-CE1 4.3Å; W805-F855 HydrophobicContact CE3-CE2 4.43Å; W805-F855 AromaticContact CE3-CZ 3.77Å; W805-F855 HydrophobicContact CE3-CZ 3.77Å; W805-F855 AromaticContact CG-CD1 3.64Å; W805-F855 HydrophobicContact CG-CD1 3.64Å; W805-F855 HydrophobicContact CG-CD2 4.12Å; W805-F855 AromaticContact CG-CE1 3.3Å; W805-F855 HydrophobicContact CG-CE1 3.3Å; W805-F855 AromaticContact CG-CE2 3.81Å; W805-F855 HydrophobicContact CG-CE2 3.81Å; W805-F855 HydrophobicContact CG-CG 4.05Å; W805-F855 AromaticContact CG-CZ 3.4Å; W805-F855 HydrophobicContact CG-CZ 3.4Å; W805-F855 VanDerWaalsContact CG-CZ 3.4Å; W805-F855 HydrophobicContact CZ2-CE1 4.37Å; W805-F855 HydrophobicContact CZ3-CZ 4.5Å; W805-F855 AromaticContact NE1-CD1 3.85Å; W805-F855 AromaticContact NE1-CE1 3.41Å; W805-F867 AromaticContact CD1-CG 3.91Å; W805-F867 AromaticContact CE2-CD2 3.98Å; W805-F867 AromaticContact CE2-CE2 3.67Å; W805-F867 AromaticContact CE2-CZ 3.85Å; W805-F867 HydrophobicContact CZ2-CD2 4.2Å; W805-F867 AromaticContact CZ2-CE2 3.49Å; W805-F867 HydrophobicContact CZ2-CE2 3.49Å; W805-F867 VanDerWaalsContact CZ2-CE2 3.49Å; W805-F867 AromaticContact CZ2-CZ 3.7Å; W805-F867 HydrophobicContact CZ2-CZ 3.7Å; W805-F867 AromaticContact NE1-CD1 3.42Å; W805-F867 AromaticContact NE1-CD2 3.18Å; W805-F867 AromaticContact NE1-CE1 3.52Å; W805-F867 AromaticContact NE1-CE2 3.27Å; W805-F867 VanDerWaalsContact NE1-CE2 3.27Å; W805-F867 AromaticContact NE1-CG 3.25Å; W805-F867 VanDerWaalsContact NE1-CG 3.25Å; W805-F867 AromaticContact NE1-CZ 3.44Å |
| 806 | R | 88.3 | Confident | 82.8 | Confident | 68 Ų | 68 | 49 Ų | 49 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 178.9 | -176.6 | 171.5 | -177.1 | -145.1 | -2.8 | 112.6 | E519 V802 N803 D804 W826 | E519-R806 IonicContact OE1-CZ 3.35Å; E519-R806 VanDerWaalsContact OE1-CZ 3.22Å; E519-R806 IonicContact OE1-NH1 3.16Å; E519-R806 PolarHBondContact OE1-NH1 3.27Å; E519-R806 IonicContact OE1-NH2 2.7Å; E519-R806 PolarHBondContact OE1-NH2 3.38Å; V802-R806 WeakPolarHBondContact O-CB 3.12Å; V802-R806 PolarHBondContact O-N 3.35Å; N803-R806 PolarHBondContact O-N 3.4Å; D804-R806 PolarHBondContact O-N 3.17Å; R806-W826 HydrophobicContact CB-CD2 3.91Å; R806-W826 HydrophobicContact CB-CE3 3.99Å; R806-W826 HydrophobicContact CB-CH2 4.14Å; R806-W826 HydrophobicContact CB-CZ2 4.05Å; R806-W826 HydrophobicContact CB-CZ3 4.1Å; R806-W826 HydrophobicContact CG-CD2 3.85Å; R806-W826 HydrophobicContact CG-CE3 4.43Å; R806-W826 HydrophobicContact CG-CG 4.05Å; R806-W826 HydrophobicContact CG-CZ2 4.26Å |
| 807 | Q | 88.1 | Confident | 83.2 | Confident | 151 Ų | 151 | 49.9 Ų | 49.9 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 178.3 | -75.4 | 172.2 | 55.6 | 0 | 0 | 112.2 | N803 D804 | N803-Q807 WeakPolarHBondContact O-CB 3.33Å; N803-Q807 VanDerWaalsContact O-CG 3.26Å; N803-Q807 WeakPolarHBondContact O-CG 3.41Å; N803-Q807 PolarHBondContact O-N 2.98Å; N803-Q807 PolarHBondContact O-NE2 2.9Å; D804-Q807 PolarHBondContact O-N 3.25Å |
| 808 | N | 89.5 | Confident | 84.1 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.193 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 16.1 | -178.4 | -69.1 | -72.4 | 0 | 0 | 0 | 114.1 | D804 W805 F855 A856 L866 | D804-N808 WeakPolarHBondContact O-CB 3.22Å; D804-N808 PolarHBondContact O-N 2.91Å; D804-N808 PolarHBondContact O-ND2 3.22Å; D804-N808 PolarHBondContact OD1-ND2 3.44Å; W805-N808 PolarHBondContact O-N 3.37Å; N808-F855 HydrophobicContact CB-CB 3.67Å; N808-A856 WeakPolarHBondContact OD1-CA 3.28Å; N808-A856 WeakPolarHBondContact OD1-CB 3.43Å; N808-L866 HydrophobicContact CB-CD2 4.39Å |
| 809 | T | 93.5 | Very high | 85.6 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | trans | -92.6 | 130.4 | 175.1 | -70 | 0 | 0 | 0 | 0 | 112 | W805 Y811 W826 F867 I869 | W805-T809 WeakPolarHBondContact O-CB 3.49Å; W805-T809 PolarHBondContact O-N 2.93Å; W805-T809 PolarHBondContact O-OG1 2.87Å; T809-Y811 HydrophobicContact CG2-CD1 4.22Å; T809-Y811 HydrophobicContact CG2-CE1 3.61Å; T809-Y811 HydrophobicContact CG2-CE2 4.24Å; T809-Y811 WeakPolarHBondContact O-CE2 3.21Å; T809-W826 HydrophobicContact CG2-CZ2 4.07Å; T809-W826 WeakPolarHBondContact OG1-CZ2 3.44Å; T809-F867 WeakPolarHBondContact CA-O 3.45Å; T809-F867 HydrophobicContact CG2-CD1 3.83Å; T809-F867 HydrophobicContact CG2-CE1 4.48Å; T809-F867 WeakPolarHBondContact OG1-CD1 3.33Å; T809-I869 HydrophobicContact CG2-CD1 4.16Å; T809-I869 HydrophobicContact CG2-CG1 4Å | ||
| 810 | K | 93.4 | Very high | 86.6 | Confident | 123 Ų | 123 | 54.9 Ų | 54.9 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 147.2 | 168.9 | -76.7 | 178.5 | 167.8 | 168.6 | 0 | 111.2 | L866 F867 T868 I869 | K810-L866 HydrophobicContact CD-CB 4.44Å; K810-L866 HydrophobicContact CD-CD1 4.13Å; K810-L866 HydrophobicContact CG-CD1 4.24Å; K810-F867 PolarHBondContact N-O 2.96Å; K810-T868 CarbonylContact O-C 3.35Å; K810-T868 VanDerWaalsContact O-CA 3.28Å; K810-T868 WeakPolarHBondContact O-CA 3.19Å; K810-I869 PolarHBondContact O-N 2.87Å |
| 811 | Y | 95.6 | Very high | 87.4 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.4 | 177.6 | -52.6 | -80.6 | 0 | 0 | 0 | 110.5 | T809 Y815 I822 W826 I869 | T809-Y811 HydrophobicContact CG2-CD1 4.22Å; T809-Y811 HydrophobicContact CG2-CE1 3.61Å; T809-Y811 HydrophobicContact CG2-CE2 4.24Å; T809-Y811 WeakPolarHBondContact O-CE2 3.21Å; Y811-Y815 WeakPolarHBondContact CB-O 3.44Å; Y811-I822 HydrophobicContact CD1-CD1 3.79Å; Y811-I822 HydrophobicContact CD1-CG1 3.99Å; Y811-I822 HydrophobicContact CD1-CG2 4.01Å; Y811-I822 HydrophobicContact CE1-CB 4.39Å; Y811-I822 HydrophobicContact CE1-CD1 3.95Å; Y811-I822 HydrophobicContact CE1-CG1 4.16Å; Y811-I822 HydrophobicContact CE1-CG2 3.35Å; Y811-W826 AromaticContact CZ-NE1 3.94Å; Y811-W826 PolarHBondContact OH-NE1 3.41Å; Y811-I869 CarbonylContact C-O 3.46Å; Y811-I869 WeakPolarHBondContact CA-O 3.41Å; Y811-I869 HydrophobicContact CD1-CB 4.2Å; Y811-I869 HydrophobicContact CE1-CD1 4.15Å |
| 812 | K | 91.8 | Very high | 88.1 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 164.8 | -175 | -77.5 | -173.3 | 172 | -168.6 | 0 | 113.7 | G814 Y815 T868 I869 E870 L871 | K812-G814 VanDerWaalsContact C-N 3.27Å; K812-G814 PolarHBondContact O-N 2.94Å; K812-Y815 PolarHBondContact O-N 2.84Å; K812-T868 HydrophobicContact CD-CG2 3.86Å; K812-T868 HydrophobicContact CG-CG2 4.13Å; K812-I869 PolarHBondContact N-O 3.28Å; K812-E870 HydrophobicContact CB-CB 4.06Å; K812-E870 HydrophobicContact CB-CG 3.69Å; K812-E870 WeakPolarHBondContact CD-OE2 3.33Å; K812-E870 IonicContact NZ-OE2 2.9Å; K812-L871 PolarHBondContact O-N 3.39Å |
| 813 | N | 86.9 | Confident | 88.3 | Confident | 98 Ų | 98 | 55 Ų | 55 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 32.7 | 173.5 | -56.2 | -0.3 | 0 | 0 | 0 | 114.9 | E870 L871 | N813-E870 HydrophobicContact CB-CG 4.11Å; N813-E870 VanDerWaalsContact ND2-CD 3.33Å; N813-E870 WeakPolarHBondContact ND2-CG 3.4Å; N813-E870 PolarHBondContact ND2-OE1 3.33Å; N813-L871 HydrophobicContact CB-CB 4.06Å; N813-L871 PolarHBondContact ND2-O 3.25Å; N813-L871 WeakPolarHBondContact O-CB 3.42Å |
| 814 | G | 81.8 | Confident | 88.7 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 65% | 0.649 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.6 | -9.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K812 | K812-G814 VanDerWaalsContact C-N 3.27Å; K812-G814 PolarHBondContact O-N 2.94Å |
| 815 | Y | 93 | Very high | 89.2 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | trans | -78.1 | 146 | 166.1 | -70.7 | -23.4 | 0 | 0 | 0 | 112.5 | Y811 K812 H819 V821 I822 I869 L871 L890 P891 P892 | Y811-Y815 WeakPolarHBondContact CB-O 3.44Å; K812-Y815 PolarHBondContact O-N 2.84Å; Y815-H819 HydrophobicContact CD1-CB 4.34Å; Y815-H819 AromaticContact CD1-CE1 3.66Å; Y815-H819 AromaticContact CD1-CG 3.68Å; Y815-H819 AromaticContact CD1-ND1 3.36Å; Y815-H819 WeakPolarHBondContact CD1-ND1 3.19Å; Y815-H819 AromaticContact CE1-CE1 3.41Å; Y815-H819 VanDerWaalsContact CE1-CE1 3.41Å; Y815-H819 WeakPolarHBondContact CE1-CE1 3.47Å; Y815-H819 AromaticContact CE1-ND1 3.43Å; Y815-H819 WeakPolarHBondContact CE1-ND1 3.44Å; Y815-V821 HydrophobicContact CE1-CB 4.18Å; Y815-V821 HydrophobicContact CE1-CG1 4.42Å; Y815-I822 HydrophobicContact CD1-CG1 4.32Å; Y815-I822 HydrophobicContact CD2-CD1 3.73Å; Y815-I822 HydrophobicContact CD2-CG1 4.29Å; Y815-I822 HydrophobicContact CE2-CD1 4.3Å; Y815-I822 HydrophobicContact CG-CD1 3.9Å; Y815-I822 HydrophobicContact CG-CG1 3.93Å; Y815-I869 HydrophobicContact CD2-CG2 4.09Å; Y815-I869 HydrophobicContact CE2-CG2 4.35Å; Y815-L871 HydrophobicContact CD1-CB 4.07Å; Y815-L871 HydrophobicContact CD1-CD1 3.87Å; Y815-L871 HydrophobicContact CD1-CG 4.24Å; Y815-L871 HydrophobicContact CD2-CB 3.77Å; Y815-L871 HydrophobicContact CE1-CB 3.95Å; Y815-L871 HydrophobicContact CE1-CD1 3.57Å; Y815-L871 HydrophobicContact CE1-CG 3.73Å; Y815-L871 HydrophobicContact CE2-CB 3.66Å; Y815-L871 HydrophobicContact CE2-CG 4.12Å; Y815-L871 HydrophobicContact CG-CB 3.99Å; Y815-L890 HydrophobicContact CE2-CB 4.04Å; Y815-L890 HydrophobicContact CE2-CD2 4.32Å; Y815-L890 HydrophobicContact CE2-CG 4.35Å; Y815-L890 WeakPolarHBondContact CE2-O 3.15Å; Y815-L890 PolarHBondContact OH-O 2.73Å; Y815-P891 VanDerWaalsContact OH-C 3.26Å; Y815-P891 PolarHBondContact OH-O 2.81Å; Y815-P892 WeakPolarHBondContact OH-CA 3.43Å | ||
| 816 | C | 90.5 | Very high | 89.2 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | trans | -144.9 | 173.4 | 171.7 | 65.3 | 0 | 0 | 0 | 0 | 109.1 | D818 H819 I822 | C816-D818 PolarHBondContact O-N 3.3Å; C816-H819 WeakPolarHBondContact O-CB 3.28Å; C816-H819 PolarHBondContact O-N 3.48Å; C816-H819 VanDerWaalsContact O-N 3.1Å; C816-I822 WeakPolarHBondContact O-CG1 3.17Å | ||
| 817 | G | 82.1 | Confident | 89 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 818 | D | 81.8 | Confident | 88.9 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.4 | -179.1 | -49.7 | -58.5 | 0 | 0 | 0 | 113.5 | R505 C816 M820 | R505-D818 PolarHBondContact NH1-O 2.69Å; R505-D818 VanDerWaalsContact NH1-O 3.15Å; C816-D818 PolarHBondContact O-N 3.3Å; D818-M820 PolarHBondContact O-N 3.23Å |
| 819 | H | 87.4 | Confident | 88.8 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | trans | -70.4 | 131.7 | 179.1 | -170.2 | -88.7 | 0 | 0 | 0 | 109.9 | Y815 C816 V821 I822 Q823 | Y815-H819 HydrophobicContact CD1-CB 4.34Å; Y815-H819 AromaticContact CD1-CE1 3.66Å; Y815-H819 AromaticContact CD1-CG 3.68Å; Y815-H819 AromaticContact CD1-ND1 3.36Å; Y815-H819 WeakPolarHBondContact CD1-ND1 3.19Å; Y815-H819 AromaticContact CE1-CE1 3.41Å; Y815-H819 VanDerWaalsContact CE1-CE1 3.41Å; Y815-H819 WeakPolarHBondContact CE1-CE1 3.47Å; Y815-H819 AromaticContact CE1-ND1 3.43Å; Y815-H819 WeakPolarHBondContact CE1-ND1 3.44Å; C816-H819 WeakPolarHBondContact O-CB 3.28Å; C816-H819 PolarHBondContact O-N 3.48Å; C816-H819 VanDerWaalsContact O-N 3.1Å; H819-V821 VanDerWaalsContact C-N 3.29Å; H819-V821 PolarHBondContact ND1-N 3.01Å; H819-V821 PolarHBondContact O-N 2.82Å; H819-V821 VanDerWaalsContact O-N 3.17Å; H819-I822 HydrophobicContact CB-CB 4.34Å; H819-I822 HydrophobicContact CB-CG1 4.11Å; H819-I822 WeakPolarHBondContact O-CA 3.35Å; H819-I822 WeakPolarHBondContact O-CB 3.38Å; H819-I822 PolarHBondContact O-N 2.99Å; H819-Q823 PolarHBondContact O-N 3.38Å | ||
| 820 | M | 86.3 | Confident | 88.2 | Confident | 73 Ų | 73 | 44.5 Ų | 44.5 | 36% | 0.36 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57 | -39.8 | -170.5 | -174.5 | 165.6 | 63.1 | 0 | 0 | 113.3 | R505 D818 I822 Q823 W824 | R505-M820 HydrophobicContact CG-SD 4.06Å; D818-M820 PolarHBondContact O-N 3.23Å; M820-I822 VanDerWaalsContact C-N 3.29Å; M820-I822 PolarHBondContact O-N 3.47Å; M820-Q823 PolarHBondContact O-N 2.74Å; M820-W824 HydrophobicContact CE-CH2 3.64Å; M820-W824 HydrophobicContact CE-CZ2 3.81Å; M820-W824 HydrophobicContact CE-CZ3 4.49Å; M820-W824 HydrophobicContact CG-CD2 4.09Å; M820-W824 VanDerWaalsContact CG-CE2 3.49Å; M820-W824 HydrophobicContact CG-CH2 3.98Å; M820-W824 HydrophobicContact CG-CZ2 3.46Å; M820-W824 VanDerWaalsContact CG-CZ2 3.46Å; M820-W824 HydrophobicContact CG-CZ3 4.49Å; M820-W824 VanDerWaalsContact O-CG 3.24Å; M820-W824 PolarHBondContact O-N 3.49Å; M820-W824 HydrophobicContact SD-CH2 4Å; M820-W824 HydrophobicContact SD-CZ2 3.5Å; M820-W824 WeakPolarHBondContact SD-CZ2 3.39Å |
| 821 | V | 89.6 | Confident | 87.4 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -31.8 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | Y815 H819 W824 F825 L890 L899 | Y815-V821 HydrophobicContact CE1-CB 4.18Å; Y815-V821 HydrophobicContact CE1-CG1 4.42Å; H819-V821 VanDerWaalsContact C-N 3.29Å; H819-V821 PolarHBondContact ND1-N 3.01Å; H819-V821 PolarHBondContact O-N 2.82Å; H819-V821 VanDerWaalsContact O-N 3.17Å; V821-W824 HydrophobicContact CG2-CE3 4.42Å; V821-W824 HydrophobicContact CG2-CZ3 4.45Å; V821-F825 PolarHBondContact O-N 2.73Å; V821-L890 HydrophobicContact CG1-CD2 3.98Å; V821-L890 HydrophobicContact CG1-CG 4.28Å; V821-L899 HydrophobicContact CG1-CD1 3.78Å; V821-L899 WeakPolarHBondContact O-CD1 3.5Å |
| 822 | I | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.2 | -39.2 | 175.6 | -64.5 | -56.9 | 0 | 0 | 0 | 111.1 | Y811 Y815 C816 H819 M820 W824 F825 W826 I869 L890 | Y811-I822 HydrophobicContact CD1-CD1 3.79Å; Y811-I822 HydrophobicContact CD1-CG1 3.99Å; Y811-I822 HydrophobicContact CD1-CG2 4.01Å; Y811-I822 HydrophobicContact CE1-CB 4.39Å; Y811-I822 HydrophobicContact CE1-CD1 3.95Å; Y811-I822 HydrophobicContact CE1-CG1 4.16Å; Y811-I822 HydrophobicContact CE1-CG2 3.35Å; Y815-I822 HydrophobicContact CD1-CG1 4.32Å; Y815-I822 HydrophobicContact CD2-CD1 3.73Å; Y815-I822 HydrophobicContact CD2-CG1 4.29Å; Y815-I822 HydrophobicContact CE2-CD1 4.3Å; Y815-I822 HydrophobicContact CG-CD1 3.9Å; Y815-I822 HydrophobicContact CG-CG1 3.93Å; C816-I822 WeakPolarHBondContact O-CG1 3.17Å; H819-I822 HydrophobicContact CB-CB 4.34Å; H819-I822 HydrophobicContact CB-CG1 4.11Å; H819-I822 WeakPolarHBondContact O-CA 3.35Å; H819-I822 WeakPolarHBondContact O-CB 3.38Å; H819-I822 PolarHBondContact O-N 2.99Å; M820-I822 VanDerWaalsContact C-N 3.29Å; M820-I822 PolarHBondContact O-N 3.47Å; I822-W824 VanDerWaalsContact C-N 3.31Å; I822-W824 PolarHBondContact O-N 3.15Å; I822-F825 WeakPolarHBondContact O-CB 3.35Å; I822-F825 PolarHBondContact O-N 2.76Å; I822-W826 PolarHBondContact O-N 2.9Å; I822-I869 HydrophobicContact CD1-CB 4.13Å; I822-I869 HydrophobicContact CD1-CD1 4.16Å; I822-I869 HydrophobicContact CD1-CG2 3.66Å; I822-L890 HydrophobicContact CD1-CD2 4.21Å |
| 823 | Q | 86.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 36.6 Ų | 36.6 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 171.7 | -65.7 | 177.4 | -26.2 | 0 | 0 | 110.8 | H819 M820 W826 K827 | H819-Q823 PolarHBondContact O-N 3.38Å; M820-Q823 PolarHBondContact O-N 2.74Å; Q823-W826 PolarHBondContact O-N 3.31Å; Q823-K827 VanDerWaalsContact O-CB 3.3Å; Q823-K827 WeakPolarHBondContact O-CB 3.45Å; Q823-K827 PolarHBondContact O-N 2.77Å |
| 824 | W | 90.3 | Very high | 83.9 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 16% | 0.163 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.6 | -36.6 | 173.9 | -67.3 | -13 | 0 | 0 | 0 | 113.8 | M820 V821 I822 T828 Y893 E894 S895 F896 L899 | M820-W824 HydrophobicContact CE-CH2 3.64Å; M820-W824 HydrophobicContact CE-CZ2 3.81Å; M820-W824 HydrophobicContact CE-CZ3 4.49Å; M820-W824 HydrophobicContact CG-CD2 4.09Å; M820-W824 VanDerWaalsContact CG-CE2 3.49Å; M820-W824 HydrophobicContact CG-CH2 3.98Å; M820-W824 HydrophobicContact CG-CZ2 3.46Å; M820-W824 VanDerWaalsContact CG-CZ2 3.46Å; M820-W824 HydrophobicContact CG-CZ3 4.49Å; M820-W824 VanDerWaalsContact O-CG 3.24Å; M820-W824 PolarHBondContact O-N 3.49Å; M820-W824 HydrophobicContact SD-CH2 4Å; M820-W824 HydrophobicContact SD-CZ2 3.5Å; M820-W824 WeakPolarHBondContact SD-CZ2 3.39Å; V821-W824 HydrophobicContact CG2-CE3 4.42Å; V821-W824 HydrophobicContact CG2-CZ3 4.45Å; I822-W824 VanDerWaalsContact C-N 3.31Å; I822-W824 PolarHBondContact O-N 3.15Å; W824-T828 WeakPolarHBondContact O-CB 3.47Å; W824-T828 PolarHBondContact O-N 3.16Å; W824-T828 PolarHBondContact O-OG1 2.75Å; W824-Y893 WeakPolarHBondContact CZ3-O 3.22Å; W824-E894 VanDerWaalsContact CH2-O 3.3Å; W824-E894 WeakPolarHBondContact CH2-O 3.41Å; W824-S895 VanDerWaalsContact CZ3-CA 3.44Å; W824-F896 HydrophobicContact CB-CB 4.5Å; W824-F896 HydrophobicContact CB-CD2 3.99Å; W824-F896 HydrophobicContact CD2-CB 4.06Å; W824-F896 HydrophobicContact CG-CB 3.93Å; W824-F896 HydrophobicContact CG-CD2 4.18Å; W824-L899 HydrophobicContact CB-CD1 3.91Å |
| 825 | F | 93.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -55.5 | 171 | 174.6 | -93.5 | 0 | 0 | 0 | 110.7 | V821 I822 K827 T828 V829 L840 F867 I869 L888 L890 L899 L903 | V821-F825 PolarHBondContact O-N 2.73Å; I822-F825 WeakPolarHBondContact O-CB 3.35Å; I822-F825 PolarHBondContact O-N 2.76Å; F825-K827 PolarHBondContact O-N 3.25Å; F825-T828 WeakPolarHBondContact O-CA 3.33Å; F825-T828 VanDerWaalsContact O-CB 3.27Å; F825-T828 WeakPolarHBondContact O-CB 3.29Å; F825-T828 PolarHBondContact O-N 3.1Å; F825-V829 HydrophobicContact CD1-CG2 4.16Å; F825-V829 HydrophobicContact CE1-CG2 3.7Å; F825-V829 HydrophobicContact CE2-CG2 4.23Å; F825-V829 HydrophobicContact CZ-CG2 3.75Å; F825-V829 WeakPolarHBondContact O-CG2 3.34Å; F825-V829 PolarHBondContact O-N 3.35Å; F825-L840 HydrophobicContact CE2-CD1 4.44Å; F825-L840 HydrophobicContact CE2-CD2 4.07Å; F825-L840 HydrophobicContact CZ-CD2 3.93Å; F825-F867 HydrophobicContact CZ-CE1 4.35Å; F825-F867 HydrophobicContact CZ-CZ 4.31Å; F825-I869 HydrophobicContact CD1-CD1 3.52Å; F825-I869 HydrophobicContact CD2-CD1 4.49Å; F825-I869 HydrophobicContact CE1-CD1 3.48Å; F825-I869 VanDerWaalsContact CE1-CD1 3.48Å; F825-I869 HydrophobicContact CE2-CD1 4.46Å; F825-I869 HydrophobicContact CG-CD1 4.05Å; F825-I869 HydrophobicContact CZ-CD1 3.97Å; F825-L888 HydrophobicContact CD2-CD2 3.98Å; F825-L888 HydrophobicContact CE2-CD2 3.35Å; F825-L888 HydrophobicContact CZ-CD2 3.94Å; F825-L890 HydrophobicContact CB-CD2 4.16Å; F825-L890 HydrophobicContact CD2-CD2 4.27Å; F825-L890 HydrophobicContact CG-CD2 4.42Å; F825-L899 HydrophobicContact CB-CD1 4.42Å; F825-L903 HydrophobicContact CD2-CD2 3.85Å; F825-L903 HydrophobicContact CE2-CD1 4.49Å; F825-L903 HydrophobicContact CE2-CD2 3.88Å |
| 826 | W | 90.2 | Very high | 81.5 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -36.9 | -179.1 | -70.4 | 114.3 | 0 | 0 | 0 | 113.3 | V802 W805 R806 T809 Y811 I822 Q823 T828 V829 L830 I869 | V802-W826 HydrophobicContact CG1-CE3 4.03Å; V802-W826 HydrophobicContact CG1-CZ3 4.19Å; W805-W826 HydrophobicContact CB-CH2 4.11Å; W805-W826 HydrophobicContact CB-CZ3 4.14Å; W805-W826 AromaticContact CD1-CH2 3.59Å; W805-W826 HydrophobicContact CD2-CH2 4.1Å; W805-W826 HydrophobicContact CD2-CZ3 4.07Å; W805-W826 HydrophobicContact CE3-CZ3 4.49Å; W805-W826 AromaticContact CG-CH2 3.65Å; W805-W826 HydrophobicContact CG-CH2 3.65Å; W805-W826 AromaticContact CG-CZ3 3.88Å; W805-W826 HydrophobicContact CG-CZ3 3.88Å; W805-W826 AromaticContact NE1-CH2 3.95Å; R806-W826 HydrophobicContact CB-CD2 3.91Å; R806-W826 HydrophobicContact CB-CE3 3.99Å; R806-W826 HydrophobicContact CB-CH2 4.14Å; R806-W826 HydrophobicContact CB-CZ2 4.05Å; R806-W826 HydrophobicContact CB-CZ3 4.1Å; R806-W826 HydrophobicContact CG-CD2 3.85Å; R806-W826 HydrophobicContact CG-CE3 4.43Å; R806-W826 HydrophobicContact CG-CG 4.05Å; R806-W826 HydrophobicContact CG-CZ2 4.26Å; T809-W826 HydrophobicContact CG2-CZ2 4.07Å; T809-W826 WeakPolarHBondContact OG1-CZ2 3.44Å; Y811-W826 AromaticContact CZ-NE1 3.94Å; Y811-W826 PolarHBondContact OH-NE1 3.41Å; I822-W826 PolarHBondContact O-N 2.9Å; Q823-W826 PolarHBondContact O-N 3.31Å; W826-T828 PolarHBondContact O-N 2.75Å; W826-V829 HydrophobicContact CE3-CB 4.17Å; W826-V829 HydrophobicContact CE3-CG1 4.46Å; W826-V829 HydrophobicContact CE3-CG2 4.22Å; W826-V829 HydrophobicContact CZ3-CB 4.49Å; W826-V829 HydrophobicContact CZ3-CG1 4.36Å; W826-V829 HydrophobicContact CZ3-CG2 4.39Å; W826-V829 PolarHBondContact O-N 3.3Å; W826-L830 WeakPolarHBondContact O-CB 3.38Å; W826-L830 WeakPolarHBondContact O-CD1 3.28Å; W826-L830 VanDerWaalsContact O-CG 3.32Å; W826-L830 WeakPolarHBondContact O-CG 3.35Å; W826-L830 PolarHBondContact O-N 2.63Å; W826-I869 HydrophobicContact CZ2-CD1 4.46Å |
| 827 | K | 83.8 | Confident | 80.9 | Confident | 73 Ų | 73 | 37.6 Ų | 37.6 | 32% | 0.317 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.9 | -39.8 | 169.2 | -176.7 | 178 | 175.5 | -178.5 | 0 | 111.5 | Q823 F825 L831 F896 | Q823-K827 VanDerWaalsContact O-CB 3.3Å; Q823-K827 WeakPolarHBondContact O-CB 3.45Å; Q823-K827 PolarHBondContact O-N 2.77Å; F825-K827 PolarHBondContact O-N 3.25Å; K827-L831 HydrophobicContact CG-CD1 4.04Å; K827-L831 WeakPolarHBondContact O-CD1 3.5Å; K827-L831 VanDerWaalsContact O-CG 3.24Å; K827-L831 WeakPolarHBondContact O-CG 3.39Å; K827-L831 PolarHBondContact O-N 3.35Å; K827-F896 HydrophobicContact CB-CE2 3.98Å; K827-F896 HydrophobicContact CD-CD2 3.93Å; K827-F896 HydrophobicContact CD-CE2 3.67Å; K827-F896 HydrophobicContact CD-CZ 4.03Å; K827-F896 HydrophobicContact CG-CD2 4.33Å; K827-F896 HydrophobicContact CG-CE2 3.64Å; K827-F896 HydrophobicContact CG-CZ 4.03Å |
| 828 | T | 86 | Confident | 80.2 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.8 | -45.4 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | W824 F825 W826 L830 L831 M832 F896 R900 L903 | W824-T828 WeakPolarHBondContact O-CB 3.47Å; W824-T828 PolarHBondContact O-N 3.16Å; W824-T828 PolarHBondContact O-OG1 2.75Å; F825-T828 WeakPolarHBondContact O-CA 3.33Å; F825-T828 VanDerWaalsContact O-CB 3.27Å; F825-T828 WeakPolarHBondContact O-CB 3.29Å; F825-T828 PolarHBondContact O-N 3.1Å; W826-T828 PolarHBondContact O-N 2.75Å; T828-L830 VanDerWaalsContact C-N 3.33Å; T828-L830 PolarHBondContact O-N 2.78Å; T828-L831 PolarHBondContact O-N 3.33Å; T828-M832 HydrophobicContact CG2-CE 4.01Å; T828-M832 WeakPolarHBondContact O-CG 3.09Å; T828-M832 PolarHBondContact O-N 3.28Å; T828-F896 WeakPolarHBondContact OG1-CE2 3.47Å; T828-R900 HydrophobicContact CG2-CB 4.35Å; T828-R900 HydrophobicContact CG2-CG 4.16Å; T828-L903 HydrophobicContact CG2-CD2 4.03Å |
| 829 | V | 85.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 178 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | V802 W805 F825 W826 M832 R837 L840 | V802-V829 HydrophobicContact CG1-CB 4.35Å; V802-V829 HydrophobicContact CG1-CG1 3.79Å; V802-V829 HydrophobicContact CG2-CG1 4.13Å; W805-V829 HydrophobicContact CE3-CG1 4.14Å; W805-V829 HydrophobicContact CZ3-CG1 3.95Å; F825-V829 HydrophobicContact CD1-CG2 4.16Å; F825-V829 HydrophobicContact CE1-CG2 3.7Å; F825-V829 HydrophobicContact CE2-CG2 4.23Å; F825-V829 HydrophobicContact CZ-CG2 3.75Å; F825-V829 WeakPolarHBondContact O-CG2 3.34Å; F825-V829 PolarHBondContact O-N 3.35Å; W826-V829 HydrophobicContact CE3-CB 4.17Å; W826-V829 HydrophobicContact CE3-CG1 4.46Å; W826-V829 HydrophobicContact CE3-CG2 4.22Å; W826-V829 HydrophobicContact CZ3-CB 4.49Å; W826-V829 HydrophobicContact CZ3-CG1 4.36Å; W826-V829 HydrophobicContact CZ3-CG2 4.39Å; W826-V829 PolarHBondContact O-N 3.3Å; V829-M832 WeakPolarHBondContact O-CB 3.37Å; V829-M832 PolarHBondContact O-N 3.26Å; V829-R837 HydrophobicContact CG1-CG 4.21Å; V829-R837 PolarHBondContact O-NE 2.91Å; V829-L840 HydrophobicContact CG2-CD2 3.56Å |
| 830 | L | 81.6 | Confident | 78.9 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 176.7 | -72.1 | 160.5 | 0 | 0 | 0 | 112.2 | L523 T529 V802 W826 T828 R837 | L523-L830 HydrophobicContact CB-CD1 4.14Å; L523-L830 HydrophobicContact CD1-CB 4.43Å; L523-L830 HydrophobicContact CD1-CD1 4.03Å; L523-L830 HydrophobicContact CD2-CB 4.5Å; T529-L830 HydrophobicContact CG2-CD2 4.27Å; V802-L830 HydrophobicContact CB-CD2 4.03Å; V802-L830 HydrophobicContact CG1-CD2 3.68Å; V802-L830 HydrophobicContact CG1-CG 3.93Å; W826-L830 WeakPolarHBondContact O-CB 3.38Å; W826-L830 WeakPolarHBondContact O-CD1 3.28Å; W826-L830 VanDerWaalsContact O-CG 3.32Å; W826-L830 WeakPolarHBondContact O-CG 3.35Å; W826-L830 PolarHBondContact O-N 2.63Å; T828-L830 VanDerWaalsContact C-N 3.33Å; T828-L830 PolarHBondContact O-N 2.78Å; L830-R837 PolarHBondContact O-NH2 3.38Å |
| 831 | L | 76.1 | Confident | 78.6 | Confident | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -80.9 | -10.1 | 176.6 | -65.5 | 168 | 0 | 0 | 0 | 114 | L484 P486 L489 K827 T828 F896 | L484-L831 HydrophobicContact CB-CD2 3.89Å; P486-L831 HydrophobicContact CG-CD1 4.22Å; L489-L831 HydrophobicContact CD2-CD2 4.38Å; K827-L831 HydrophobicContact CG-CD1 4.04Å; K827-L831 WeakPolarHBondContact O-CD1 3.5Å; K827-L831 VanDerWaalsContact O-CG 3.24Å; K827-L831 WeakPolarHBondContact O-CG 3.39Å; K827-L831 PolarHBondContact O-N 3.35Å; T828-L831 PolarHBondContact O-N 3.33Å; L831-F896 HydrophobicContact CD1-CZ 3.78Å |
| 832 | M | 74.6 | Confident | 77.3 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -72.7 | 141.2 | 168.7 | -77.4 | 170.5 | 170.8 | 0 | 0 | 110.8 | T828 V829 K836 R837 L840 L903 I907 | T828-M832 HydrophobicContact CG2-CE 4.01Å; T828-M832 WeakPolarHBondContact O-CG 3.09Å; T828-M832 PolarHBondContact O-N 3.28Å; V829-M832 WeakPolarHBondContact O-CB 3.37Å; V829-M832 PolarHBondContact O-N 3.26Å; M832-K836 HydrophobicContact CB-CB 3.87Å; M832-K836 HydrophobicContact CG-CB 3.8Å; M832-K836 HydrophobicContact SD-CB 4.17Å; M832-R837 HydrophobicContact CB-CG 3.78Å; M832-R837 PolarHBondContact O-NE 2.89Å; M832-R837 PolarHBondContact O-NH2 2.91Å; M832-L840 HydrophobicContact SD-CB 4.49Å; M832-L840 HydrophobicContact SD-CD2 4.1Å; M832-L903 HydrophobicContact CE-CD2 4.3Å; M832-L903 HydrophobicContact CE-CG 4.46Å; M832-I907 HydrophobicContact CE-CD1 3.42Å; M832-I907 VanDerWaalsContact CE-CD1 3.42Å |
| 833 | D | 64.6 | Low | 76.4 | Confident | 79 Ų | 79 | 35.5 Ų | 35.5 | 42% | 0.422 | 17% | 0.171 | S | C | . | . | trans | -66.7 | 169.8 | 162.9 | 57.7 | 65.6 | 0 | 0 | 0 | 111.9 | E835 K836 R837 | D833-E835 VanDerWaalsContact C-N 3.27Å; D833-E835 PolarHBondContact O-N 2.75Å; D833-E835 WeakPolarHBondContact OD1-CA 3.42Å; D833-E835 WeakPolarHBondContact OD1-CB 3.26Å; D833-E835 PolarHBondContact OD1-N 3.3Å; D833-K836 PolarHBondContact O-N 3.28Å; D833-K836 PolarHBondContact OD1-N 3.37Å; D833-R837 VanDerWaalsContact O-CG 3.32Å; D833-R837 WeakPolarHBondContact O-CG 3.31Å; D833-R837 PolarHBondContact O-N 3.48Å | ||
| 834 | A | 62.1 | Low | 75.8 | Confident | 59 Ų | 59 | 33.9 Ų | 33.9 | 49% | 0.488 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.2 | -35.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R837 I838 | A834-R837 PolarHBondContact O-N 2.85Å; A834-I838 WeakPolarHBondContact O-CB 3.36Å; A834-I838 WeakPolarHBondContact O-CD1 3.19Å; A834-I838 WeakPolarHBondContact O-CG1 3.43Å; A834-I838 PolarHBondContact O-N 2.69Å |
| 835 | E | 59.6 | Low | 74.7 | Confident | 112 Ų | 112 | 31.9 Ų | 31.9 | 52% | 0.523 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66.7 | -46 | 179.6 | -173.9 | -177 | 147.4 | 0 | 0 | 110.9 | D833 I838 R839 | D833-E835 VanDerWaalsContact C-N 3.27Å; D833-E835 PolarHBondContact O-N 2.75Å; D833-E835 WeakPolarHBondContact OD1-CA 3.42Å; D833-E835 WeakPolarHBondContact OD1-CB 3.26Å; D833-E835 PolarHBondContact OD1-N 3.3Å; E835-I838 PolarHBondContact O-N 3.39Å; E835-R839 WeakPolarHBondContact O-CG 3.41Å; E835-R839 PolarHBondContact O-N 3.39Å; E835-R839 IonicContact OE1-CZ 3.13Å; E835-R839 IonicContact OE1-NE 3.35Å; E835-R839 IonicContact OE1-NH1 3.37Å; E835-R839 PolarHBondContact OE1-NH1 3.29Å; E835-R839 IonicContact OE1-NH2 2.72Å; E835-R839 PolarHBondContact OE1-NH2 3.35Å |
| 836 | K | 64.8 | Low | 72.9 | Confident | 57 Ų | 57 | 32.2 Ų | 32.2 | 25% | 0.248 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.8 | -36.2 | 176.9 | -68.4 | -171.1 | -174.1 | -131.2 | 0 | 112.8 | M832 D833 R839 L840 E908 | M832-K836 HydrophobicContact CB-CB 3.87Å; M832-K836 HydrophobicContact CG-CB 3.8Å; M832-K836 HydrophobicContact SD-CB 4.17Å; D833-K836 PolarHBondContact O-N 3.28Å; D833-K836 PolarHBondContact OD1-N 3.37Å; K836-R839 PolarHBondContact O-N 3.14Å; K836-L840 WeakPolarHBondContact O-CB 3.42Å; K836-L840 PolarHBondContact O-N 3.31Å; K836-E908 IonicContact NZ-OE1 3.37Å; K836-E908 PolarHBondContact NZ-OE1 2.71Å |
| 837 | R | 77.6 | Confident | 71.5 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 9% | 0.087 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 171.1 | -69.6 | 175.1 | -168.4 | -178.8 | 5 | 111.6 | I528 V829 L830 M832 D833 A834 L840 L841 | I528-R837 PolarHBondContact O-NH1 3.08Å; I528-R837 PolarHBondContact O-NH2 3.14Å; V829-R837 HydrophobicContact CG1-CG 4.21Å; V829-R837 PolarHBondContact O-NE 2.91Å; L830-R837 PolarHBondContact O-NH2 3.38Å; M832-R837 HydrophobicContact CB-CG 3.78Å; M832-R837 PolarHBondContact O-NE 2.89Å; M832-R837 PolarHBondContact O-NH2 2.91Å; D833-R837 VanDerWaalsContact O-CG 3.32Å; D833-R837 WeakPolarHBondContact O-CG 3.31Å; D833-R837 PolarHBondContact O-N 3.48Å; A834-R837 PolarHBondContact O-N 2.85Å; R837-L840 PolarHBondContact O-N 3.03Å; R837-L841 WeakPolarHBondContact O-CB 3.46Å; R837-L841 PolarHBondContact O-N 3.16Å |
| 838 | I | 68.1 | Low | 70.3 | Confident | 35 Ų | 35 | 30 Ų | 30 | 18% | 0.179 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.7 | -73.4 | 167.4 | 0 | 0 | 0 | 111.2 | V800 A834 E835 L841 Q842 | V800-I838 HydrophobicContact CG2-CG1 3.88Å; A834-I838 WeakPolarHBondContact O-CB 3.36Å; A834-I838 WeakPolarHBondContact O-CD1 3.19Å; A834-I838 WeakPolarHBondContact O-CG1 3.43Å; A834-I838 PolarHBondContact O-N 2.69Å; E835-I838 PolarHBondContact O-N 3.39Å; I838-L841 WeakPolarHBondContact O-CB 3.18Å; I838-L841 PolarHBondContact O-N 3.4Å; I838-Q842 WeakPolarHBondContact O-CB 3.49Å; I838-Q842 PolarHBondContact O-N 2.75Å |
| 839 | R | 63.9 | Low | 69.5 | Low | 98 Ų | 98 | 30 Ų | 30 | 37% | 0.37 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.8 | -39 | 174.3 | -72.1 | -175.5 | 177 | 144.3 | 10.1 | 113 | E835 K836 Q842 F843 I907 | E835-R839 WeakPolarHBondContact O-CG 3.41Å; E835-R839 PolarHBondContact O-N 3.39Å; E835-R839 IonicContact OE1-CZ 3.13Å; E835-R839 IonicContact OE1-NE 3.35Å; E835-R839 IonicContact OE1-NH1 3.37Å; E835-R839 PolarHBondContact OE1-NH1 3.29Å; E835-R839 IonicContact OE1-NH2 2.72Å; E835-R839 PolarHBondContact OE1-NH2 3.35Å; K836-R839 PolarHBondContact O-N 3.14Å; R839-Q842 PolarHBondContact O-N 2.92Å; R839-F843 WeakPolarHBondContact O-CB 3.29Å; R839-F843 PolarHBondContact O-N 3.38Å; R839-I907 HydrophobicContact CB-CG2 3.38Å; R839-I907 HydrophobicContact CG-CG2 4.46Å |
| 840 | L | 78.5 | Confident | 68.9 | Low | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 173 | 173.8 | 57.7 | 0 | 0 | 0 | 111.6 | W805 F825 V829 M832 K836 R837 Q842 F843 V844 L903 I907 | W805-L840 HydrophobicContact CH2-CB 4.26Å; W805-L840 HydrophobicContact CH2-CD2 4.04Å; W805-L840 HydrophobicContact CH2-CG 3.89Å; W805-L840 HydrophobicContact CZ2-CG 4.3Å; F825-L840 HydrophobicContact CE2-CD1 4.44Å; F825-L840 HydrophobicContact CE2-CD2 4.07Å; F825-L840 HydrophobicContact CZ-CD2 3.93Å; V829-L840 HydrophobicContact CG2-CD2 3.56Å; M832-L840 HydrophobicContact SD-CB 4.49Å; M832-L840 HydrophobicContact SD-CD2 4.1Å; K836-L840 WeakPolarHBondContact O-CB 3.42Å; K836-L840 PolarHBondContact O-N 3.31Å; R837-L840 PolarHBondContact O-N 3.03Å; L840-Q842 VanDerWaalsContact C-N 3.32Å; L840-Q842 PolarHBondContact O-N 3.11Å; L840-F843 HydrophobicContact CD1-CD1 4.5Å; L840-F843 PolarHBondContact O-N 2.87Å; L840-V844 HydrophobicContact CD1-CG2 4.01Å; L840-V844 WeakPolarHBondContact O-CG2 3.44Å; L840-V844 PolarHBondContact O-N 3.05Å; L840-V844 VanDerWaalsContact O-N 3.13Å; L840-L903 HydrophobicContact CD1-CD1 4.06Å; L840-I907 HydrophobicContact CB-CD1 3.82Å; L840-I907 HydrophobicContact CB-CG1 4.33Å; L840-I907 HydrophobicContact CD1-CD1 4.01Å; L840-I907 HydrophobicContact CD1-CG1 4.24Å; L840-I907 HydrophobicContact CG-CD1 4.35Å |
| 841 | L | 79.8 | Confident | 68.2 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 174.4 | -177.7 | 62.1 | 0 | 0 | 0 | 110.5 | V800 W805 R837 I838 V844 T845 T847 V850 F855 | V800-L841 HydrophobicContact CG2-CD2 4.15Å; W805-L841 HydrophobicContact CH2-CB 3.9Å; W805-L841 HydrophobicContact CH2-CD1 4.34Å; W805-L841 HydrophobicContact CZ2-CB 4.34Å; W805-L841 HydrophobicContact CZ2-CD1 4.05Å; R837-L841 WeakPolarHBondContact O-CB 3.46Å; R837-L841 PolarHBondContact O-N 3.16Å; I838-L841 WeakPolarHBondContact O-CB 3.18Å; I838-L841 PolarHBondContact O-N 3.4Å; L841-V844 PolarHBondContact O-N 2.86Å; L841-T845 HydrophobicContact CD1-CG2 3.87Å; L841-T845 WeakPolarHBondContact O-CB 3.31Å; L841-T845 PolarHBondContact O-N 3.12Å; L841-T845 PolarHBondContact O-OG1 3.24Å; L841-T847 CarbonylContact C-O 3.45Å; L841-V850 HydrophobicContact CD2-CG2 3.61Å; L841-F855 HydrophobicContact CD1-CE1 3.45Å; L841-F855 VanDerWaalsContact CD1-CE1 3.45Å; L841-F855 HydrophobicContact CD1-CZ 3.71Å; L841-F855 HydrophobicContact CD2-CZ 4.28Å |
| 842 | Q | 61.8 | Low | 67.3 | Low | 48 Ų | 48 | 31 Ų | 31 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.4 | -169.9 | -159.6 | -29.9 | 0 | 0 | 112.2 | F611 I838 R839 L840 V844 G846 T847 | F611-Q842 HydrophobicContact CE2-CG 4.39Å; F611-Q842 HydrophobicContact CZ-CG 4.45Å; I838-Q842 WeakPolarHBondContact O-CB 3.49Å; I838-Q842 PolarHBondContact O-N 2.75Å; R839-Q842 PolarHBondContact O-N 2.92Å; L840-Q842 VanDerWaalsContact C-N 3.32Å; L840-Q842 PolarHBondContact O-N 3.11Å; Q842-V844 VanDerWaalsContact C-N 3.31Å; Q842-V844 PolarHBondContact O-N 3.36Å; Q842-G846 WeakPolarHBondContact O-CA 3.38Å; Q842-G846 PolarHBondContact O-N 3.45Å; Q842-T847 VanDerWaalsContact CA-O 3.23Å; Q842-T847 WeakPolarHBondContact CA-O 3.35Å; Q842-T847 PolarHBondContact N-O 2.73Å |
| 843 | F | 73.3 | Confident | 67 | Low | 36 Ų | 36 | 31.7 Ų | 31.7 | 16% | 0.158 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.7 | -45.3 | 177.3 | 176.8 | -113.7 | 0 | 0 | 0 | 111.5 | R839 L840 A881 T883 L888 A906 A910 | R839-F843 WeakPolarHBondContact O-CB 3.29Å; R839-F843 PolarHBondContact O-N 3.38Å; L840-F843 HydrophobicContact CD1-CD1 4.5Å; L840-F843 PolarHBondContact O-N 2.87Å; F843-A881 HydrophobicContact CD1-CB 3.9Å; F843-A881 HydrophobicContact CD2-CB 4.3Å; F843-A881 HydrophobicContact CE1-CB 3.72Å; F843-A881 HydrophobicContact CE2-CB 4.14Å; F843-A881 HydrophobicContact CG-CB 4.19Å; F843-A881 HydrophobicContact CZ-CB 3.84Å; F843-A881 WeakPolarHBondContact O-CB 3.49Å; F843-T883 WeakPolarHBondContact O-CG2 3.21Å; F843-L888 HydrophobicContact CD1-CD1 4.36Å; F843-L888 HydrophobicContact CE1-CD1 3.91Å; F843-A906 HydrophobicContact CE1-CB 4.34Å; F843-A906 HydrophobicContact CE2-CB 4.49Å; F843-A906 HydrophobicContact CZ-CB 3.95Å; F843-A910 HydrophobicContact CD2-CB 3.75Å; F843-A910 HydrophobicContact CE2-CB 4.1Å |
| 844 | V | 75.2 | Confident | 67.4 | Low | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -86.3 | -30 | -174.8 | -178.4 | 0 | 0 | 0 | 0 | 114 | L840 L841 Q842 F867 T883 L888 | L840-V844 HydrophobicContact CD1-CG2 4.01Å; L840-V844 WeakPolarHBondContact O-CG2 3.44Å; L840-V844 PolarHBondContact O-N 3.05Å; L840-V844 VanDerWaalsContact O-N 3.13Å; L841-V844 PolarHBondContact O-N 2.86Å; Q842-V844 VanDerWaalsContact C-N 3.31Å; Q842-V844 PolarHBondContact O-N 3.36Å; V844-F867 HydrophobicContact CB-CD2 4.48Å; V844-F867 HydrophobicContact CB-CE2 3.58Å; V844-F867 HydrophobicContact CB-CZ 4.09Å; V844-F867 HydrophobicContact CG1-CD2 3.9Å; V844-F867 HydrophobicContact CG1-CE2 3.31Å; V844-F867 HydrophobicContact CG1-CZ 3.76Å; V844-F867 HydrophobicContact CG2-CE2 4.06Å; V844-F867 HydrophobicContact CG2-CZ 4.08Å; V844-T883 WeakPolarHBondContact O-CA 3.49Å; V844-L888 HydrophobicContact CG1-CB 4.07Å; V844-L888 HydrophobicContact CG2-CB 3.93Å; V844-L888 HydrophobicContact CG2-CD1 3.88Å; V844-L888 HydrophobicContact CG2-CG 4.34Å |
| 845 | T | 66.6 | Low | 68.3 | Low | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -116.3 | -13.2 | -171.7 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | R607 L841 T847 F867 N886 | R607-T845 WeakPolarHBondContact CD-O 3.36Å; R607-T845 PolarHBondContact NE-O 2.78Å; L841-T845 HydrophobicContact CD1-CG2 3.87Å; L841-T845 WeakPolarHBondContact O-CB 3.31Å; L841-T845 PolarHBondContact O-N 3.12Å; L841-T845 PolarHBondContact O-OG1 3.24Å; T845-T847 VanDerWaalsContact C-N 3.31Å; T845-T847 WeakPolarHBondContact OG1-CG2 3.44Å; T845-T847 PolarHBondContact OG1-N 2.8Å; T845-T847 PolarHBondContact OG1-O 2.85Å; T845-F867 HydrophobicContact CG2-CD2 4.07Å; T845-F867 HydrophobicContact CG2-CE2 4.42Å; T845-N886 HydrophobicContact CG2-CB 4.11Å |
| 846 | G | 56.8 | Low | 69.4 | Low | 8 Ų | 8 | 22.1 Ų | 22.1 | 8% | 0.082 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 75.9 | 9.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q842 | Q842-G846 WeakPolarHBondContact O-CA 3.38Å; Q842-G846 PolarHBondContact O-N 3.45Å |
| 847 | T | 60.4 | Low | 69.9 | Low | 26 Ų | 26 | 21.2 Ų | 21.2 | 16% | 0.16 | 11% | 0.111 | C | C | . | . | trans | -134.7 | 141.9 | 179 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | L841 Q842 T845 R849 | L841-T847 CarbonylContact C-O 3.45Å; Q842-T847 VanDerWaalsContact CA-O 3.23Å; Q842-T847 WeakPolarHBondContact CA-O 3.35Å; Q842-T847 PolarHBondContact N-O 2.73Å; T845-T847 VanDerWaalsContact C-N 3.31Å; T845-T847 WeakPolarHBondContact OG1-CG2 3.44Å; T845-T847 PolarHBondContact OG1-N 2.8Å; T845-T847 PolarHBondContact OG1-O 2.85Å; T847-R849 PolarHBondContact O-N 3.02Å; T847-R849 PolarHBondContact OG1-N 3.41Å; T847-R849 VanDerWaalsContact OG1-N 3.08Å; T847-R849 PolarHBondContact OG1-O 3.36Å | ||
| 848 | S | 59.9 | Low | 69.6 | Low | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -83.8 | 5.6 | 172.6 | 49 | 0 | 0 | 0 | 0 | 113.6 | F611 D670 | F611-S848 WeakPolarHBondContact CD2-OG 3.23Å; D670-S848 VanDerWaalsContact CG-OG 3.28Å; D670-S848 WeakPolarHBondContact OD2-CB 3.38Å; D670-S848 PolarHBondContact OD2-OG 2.96Å |
| 849 | R | 68.8 | Low | 69.4 | Low | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | trans | -132.2 | 143.8 | -167.2 | -68.6 | -71.5 | -159.8 | -76.6 | -12 | 112.8 | L668 D670 A671 F672 C795 L797 T847 | L668-R849 HydrophobicContact CB-CB 3.96Å; L668-R849 HydrophobicContact CB-CG 4.42Å; L668-R849 HydrophobicContact CD1-CB 3.6Å; L668-R849 HydrophobicContact CG-CB 4.43Å; D670-R849 VanDerWaalsContact C-NH2 3.34Å; D670-R849 IonicContact OD1-CZ 2.71Å; D670-R849 IonicContact OD1-NH1 2.67Å; D670-R849 PolarHBondContact OD1-NH1 2.96Å; D670-R849 IonicContact OD1-NH2 2.77Å; D670-R849 PolarHBondContact OD1-NH2 2.92Å; D670-R849 IonicContact OD2-NH1 2.7Å; A671-R849 PolarHBondContact O-NH2 3.25Å; A671-R849 VanDerWaalsContact O-NH2 3.1Å; F672-R849 VanDerWaalsContact CE2-CZ 3.45Å; F672-R849 VanDerWaalsContact CZ-CZ 3.45Å; C795-R849 WeakPolarHBondContact O-CB 3.42Å; C795-R849 WeakPolarHBondContact O-CD 3.43Å; C795-R849 WeakPolarHBondContact O-CG 3.28Å; C795-R849 PolarHBondContact O-NE 3.33Å; C795-R849 VanDerWaalsContact O-NE 3.12Å; L797-R849 WeakPolarHBondContact O-CD 3.49Å; T847-R849 PolarHBondContact O-N 3.02Å; T847-R849 PolarHBondContact OG1-N 3.41Å; T847-R849 VanDerWaalsContact OG1-N 3.08Å; T847-R849 PolarHBondContact OG1-O 3.36Å | ||
| 850 | V | 73.6 | Confident | 69.2 | Low | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 142.7 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | L797 V800 L841 F855 | L797-V850 HydrophobicContact CB-CB 4.22Å; L797-V850 HydrophobicContact CD1-CB 4.45Å; L797-V850 HydrophobicContact CD1-CG1 4.47Å; L797-V850 PolarHBondContact N-O 3.43Å; L797-V850 PolarHBondContact O-N 2.9Å; V800-V850 HydrophobicContact CG2-CG2 4.14Å; L841-V850 HydrophobicContact CD2-CG2 3.61Å; V850-F855 HydrophobicContact CB-CE2 4.26Å; V850-F855 HydrophobicContact CG1-CD2 3.63Å; V850-F855 HydrophobicContact CG1-CE2 3.65Å; V850-F855 HydrophobicContact CG1-CG 4.27Å; V850-F855 HydrophobicContact CG1-CZ 4.29Å; V850-F855 HydrophobicContact CG2-CD2 4.35Å; V850-F855 HydrophobicContact CG2-CE2 3.5Å; V850-F855 HydrophobicContact CG2-CZ 3.64Å |
| 851 | P | 65.5 | Low | 67.9 | Low | 28 Ų | 28 | 19.8 Ų | 19.8 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | trans | -60.2 | 156.2 | 171.3 | -23 | 34.5 | 0 | 0 | 0 | 113.1 | L797 N853 G854 E857 L858 | L797-P851 VanDerWaalsContact CD1-O 3.29Å; L797-P851 WeakPolarHBondContact CD1-O 3.4Å; P851-N853 VanDerWaalsContact C-N 3.3Å; P851-N853 PolarHBondContact O-N 3.02Å; P851-G854 WeakPolarHBondContact O-CA 3.41Å; P851-G854 PolarHBondContact O-N 3.34Å; P851-E857 HydrophobicContact CB-CB 4.09Å; P851-E857 WeakPolarHBondContact CG-O 3.42Å; P851-L858 HydrophobicContact CG-CD2 4.32Å | ||
| 852 | M | 58.9 | Low | 66.6 | Low | 25 Ų | 25 | 26.6 Ų | 26.6 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -38.2 | -176.6 | -178 | 173.7 | 178.2 | 0 | 0 | 114.6 | Y539 L792 G854 | Y539-M852 HydrophobicContact CD1-CB 4.08Å; Y539-M852 HydrophobicContact CD1-CG 4.09Å; Y539-M852 HydrophobicContact CD1-SD 3.29Å; Y539-M852 WeakPolarHBondContact CD1-SD 3.27Å; Y539-M852 HydrophobicContact CD2-SD 3.63Å; Y539-M852 HydrophobicContact CE1-CB 3.73Å; Y539-M852 HydrophobicContact CE1-CG 4.2Å; Y539-M852 HydrophobicContact CE1-SD 3.62Å; Y539-M852 HydrophobicContact CE2-SD 3.93Å; Y539-M852 HydrophobicContact CG-CE 4.18Å; Y539-M852 HydrophobicContact CG-SD 3.28Å; L792-M852 HydrophobicContact CB-CB 4.22Å; L792-M852 HydrophobicContact CB-CG 4.34Å; L792-M852 HydrophobicContact CB-SD 4.02Å; L792-M852 HydrophobicContact CD1-CE 3.72Å; L792-M852 HydrophobicContact CD1-CG 3.92Å; L792-M852 HydrophobicContact CD1-SD 3.5Å; L792-M852 VanDerWaalsContact CD1-SD 3.5Å; L792-M852 HydrophobicContact CG-CG 4.5Å; L792-M852 HydrophobicContact CG-SD 4.32Å; M852-G854 PolarHBondContact O-N 2.93Å |
| 853 | N | 68.2 | Low | 66.6 | Low | 22 Ų | 22 | 25.4 Ų | 25.4 | 12% | 0.118 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 27.8 | 177.2 | -65.6 | -33.3 | 0 | 0 | 0 | 111.9 | Y535 P851 E857 | Y535-N853 HydrophobicContact CD2-CB 3.93Å; Y535-N853 WeakPolarHBondContact CD2-OD1 3.43Å; Y535-N853 HydrophobicContact CE2-CB 4.18Å; P851-N853 VanDerWaalsContact C-N 3.3Å; P851-N853 PolarHBondContact O-N 3.02Å; N853-E857 HydrophobicContact CB-CG 3.7Å |
| 854 | G | 71.8 | Confident | 66.4 | Low | 5 Ų | 5 | 28.3 Ų | 28.3 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | 72.4 | -162.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D804 P851 M852 A856 E857 | D804-G854 WeakPolarHBondContact OD2-CA 2.92Å; P851-G854 WeakPolarHBondContact O-CA 3.41Å; P851-G854 PolarHBondContact O-N 3.34Å; M852-G854 PolarHBondContact O-N 2.93Å; G854-A856 PolarHBondContact O-N 2.83Å; G854-E857 PolarHBondContact O-N 2.97Å |
| 855 | F | 82.1 | Confident | 66.4 | Low | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -67.2 | -17.8 | -178.3 | -79.6 | -97.6 | 0 | 0 | 0 | 113.5 | V800 D804 W805 N808 L841 V850 E857 L858 L866 | V800-F855 HydrophobicContact CG1-CE2 4.01Å; V800-F855 HydrophobicContact CG1-CZ 3.94Å; D804-F855 WeakPolarHBondContact OD2-CD2 3.34Å; D804-F855 PolarHBondContact OD2-N 2.85Å; W805-F855 HydrophobicContact CB-CD1 4.04Å; W805-F855 HydrophobicContact CB-CD2 3.68Å; W805-F855 HydrophobicContact CB-CE1 3.97Å; W805-F855 HydrophobicContact CB-CE2 3.58Å; W805-F855 HydrophobicContact CB-CG 3.92Å; W805-F855 HydrophobicContact CB-CZ 3.75Å; W805-F855 AromaticContact CD1-CD1 3.31Å; W805-F855 AromaticContact CD1-CE1 3.22Å; W805-F855 AromaticContact CD1-CZ 3.85Å; W805-F855 HydrophobicContact CD2-CD1 4.31Å; W805-F855 AromaticContact CD2-CE1 3.5Å; W805-F855 HydrophobicContact CD2-CE1 3.5Å; W805-F855 VanDerWaalsContact CD2-CE1 3.5Å; W805-F855 HydrophobicContact CD2-CE2 4.15Å; W805-F855 AromaticContact CD2-CZ 3.4Å; W805-F855 HydrophobicContact CD2-CZ 3.4Å; W805-F855 VanDerWaalsContact CD2-CZ 3.4Å; W805-F855 AromaticContact CE2-CE1 3.56Å; W805-F855 AromaticContact CE2-CZ 3.89Å; W805-F855 HydrophobicContact CE3-CE1 4.3Å; W805-F855 HydrophobicContact CE3-CE2 4.43Å; W805-F855 AromaticContact CE3-CZ 3.77Å; W805-F855 HydrophobicContact CE3-CZ 3.77Å; W805-F855 AromaticContact CG-CD1 3.64Å; W805-F855 HydrophobicContact CG-CD1 3.64Å; W805-F855 HydrophobicContact CG-CD2 4.12Å; W805-F855 AromaticContact CG-CE1 3.3Å; W805-F855 HydrophobicContact CG-CE1 3.3Å; W805-F855 AromaticContact CG-CE2 3.81Å; W805-F855 HydrophobicContact CG-CE2 3.81Å; W805-F855 HydrophobicContact CG-CG 4.05Å; W805-F855 AromaticContact CG-CZ 3.4Å; W805-F855 HydrophobicContact CG-CZ 3.4Å; W805-F855 VanDerWaalsContact CG-CZ 3.4Å; W805-F855 HydrophobicContact CZ2-CE1 4.37Å; W805-F855 HydrophobicContact CZ3-CZ 4.5Å; W805-F855 AromaticContact NE1-CD1 3.85Å; W805-F855 AromaticContact NE1-CE1 3.41Å; N808-F855 HydrophobicContact CB-CB 3.67Å; L841-F855 HydrophobicContact CD1-CE1 3.45Å; L841-F855 VanDerWaalsContact CD1-CE1 3.45Å; L841-F855 HydrophobicContact CD1-CZ 3.71Å; L841-F855 HydrophobicContact CD2-CZ 4.28Å; V850-F855 HydrophobicContact CB-CE2 4.26Å; V850-F855 HydrophobicContact CG1-CD2 3.63Å; V850-F855 HydrophobicContact CG1-CE2 3.65Å; V850-F855 HydrophobicContact CG1-CG 4.27Å; V850-F855 HydrophobicContact CG1-CZ 4.29Å; V850-F855 HydrophobicContact CG2-CD2 4.35Å; V850-F855 HydrophobicContact CG2-CE2 3.5Å; V850-F855 HydrophobicContact CG2-CZ 3.64Å; F855-E857 PolarHBondContact O-N 3.23Å; F855-L858 HydrophobicContact CD1-CD1 3.58Å; F855-L858 HydrophobicContact CD1-CG 4.23Å; F855-L858 HydrophobicContact CE1-CD1 4.22Å; F855-L858 HydrophobicContact CG-CD1 4.46Å; F855-L858 PolarHBondContact O-N 2.89Å; F855-L866 VanDerWaalsContact O-CD2 3.31Å; F855-L866 WeakPolarHBondContact O-CD2 3.36Å |
| 856 | A | 81.8 | Confident | 67.2 | Low | 44 Ų | 44 | 33.1 Ų | 33.1 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -57.8 | -33.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N808 G854 L866 | N808-A856 WeakPolarHBondContact OD1-CA 3.28Å; N808-A856 WeakPolarHBondContact OD1-CB 3.43Å; G854-A856 PolarHBondContact O-N 2.83Å; A856-L866 VanDerWaalsContact O-CD2 3.32Å; A856-L866 WeakPolarHBondContact O-CD2 3.39Å |
| 857 | E | 76.4 | Confident | 68.8 | Low | 38 Ų | 38 | 32.8 Ų | 32.8 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -101.7 | 26.2 | -178.9 | -64.9 | -65.4 | 164.4 | 0 | 0 | 112.8 | K540 P851 N853 G854 F855 Y859 | K540-E857 WeakPolarHBondContact CE-OE1 3.31Å; K540-E857 IonicContact NZ-OE1 3.47Å; K540-E857 PolarHBondContact NZ-OE1 2.83Å; P851-E857 HydrophobicContact CB-CB 4.09Å; P851-E857 WeakPolarHBondContact CG-O 3.42Å; N853-E857 HydrophobicContact CB-CG 3.7Å; G854-E857 PolarHBondContact O-N 2.97Å; F855-E857 PolarHBondContact O-N 3.23Å; E857-Y859 VanDerWaalsContact O-CD2 3.23Å; E857-Y859 WeakPolarHBondContact O-CD2 3.42Å |
| 858 | L | 70.1 | Confident | 70.2 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -63 | 138.9 | 172 | -83.6 | 178.9 | 0 | 0 | 0 | 111.5 | P851 F855 Q865 F867 | P851-L858 HydrophobicContact CG-CD2 4.32Å; F855-L858 HydrophobicContact CD1-CD1 3.58Å; F855-L858 HydrophobicContact CD1-CG 4.23Å; F855-L858 HydrophobicContact CE1-CD1 4.22Å; F855-L858 HydrophobicContact CG-CD1 4.46Å; F855-L858 PolarHBondContact O-N 2.89Å; L858-Q865 CarbonylContact C-O 3.49Å; L858-Q865 VanDerWaalsContact CB-O 3.31Å; L858-Q865 WeakPolarHBondContact CB-O 3.33Å; L858-Q865 CarbonylContact O-C 3.46Å; L858-Q865 PolarHBondContact O-N 3.1Å; L858-F867 HydrophobicContact CD1-CB 3.87Å | ||
| 859 | Y | 63.8 | Low | 71.9 | Confident | 75 Ų | 75 | 31.6 Ų | 31.6 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -112.4 | 140.7 | 175.9 | -83.7 | -106.3 | 0 | 0 | 0 | 111.2 | R607 E857 G863 P864 N886 | R607-Y859 PolarHBondContact NH2-O 2.86Å; E857-Y859 VanDerWaalsContact O-CD2 3.23Å; E857-Y859 WeakPolarHBondContact O-CD2 3.42Å; Y859-G863 CarbonylContact C-O 3.56Å; Y859-G863 WeakPolarHBondContact CA-O 3.29Å; Y859-G863 VanDerWaalsContact CD1-C 3.42Å; Y859-P864 HydrophobicContact CE1-CG 3.86Å; Y859-N886 PolarHBondContact O-ND2 3.09Å |
| 860 | G | 60.5 | Low | 73.1 | Confident | 7 Ų | 7 | 32.4 Ų | 32.4 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | trans | -98.4 | -154 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R607 G863 C884 | R607-G860 VanDerWaalsContact NH2-C 3.28Å; R607-G860 PolarHBondContact NH2-O 2.76Å; G860-G863 PolarHBondContact N-O 3.16Å; G860-C884 CarbonylContact C-O 3.44Å; G860-C884 WeakPolarHBondContact CA-O 3.06Å | ||
| 861 | S | 50.3 | Low | 74 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 26% | 0.259 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -75.2 | -29.3 | 172.4 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | Y602 C884 | Y602-S861 WeakPolarHBondContact O-CB 3.43Å; S861-C884 PolarHBondContact N-O 3.07Å |
| 862 | N | 53.3 | Low | 75.2 | Confident | 142 Ų | 142 | 37.1 Ų | 37.1 | 76% | 0.759 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -110.8 | 3.6 | -165.9 | -60.6 | 6.7 | 0 | 0 | 0 | 113.9 | ||
| 863 | G | 60.8 | Low | 76.6 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 136.5 | -158.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y859 G860 Q865 | Y859-G863 CarbonylContact C-O 3.56Å; Y859-G863 WeakPolarHBondContact CA-O 3.29Å; Y859-G863 VanDerWaalsContact CD1-C 3.42Å; G860-G863 PolarHBondContact N-O 3.16Å; G863-Q865 PolarHBondContact O-N 3.29Å |
| 864 | P | 70.3 | Confident | 77.5 | Confident | 97 Ų | 97 | 39.9 Ų | 39.9 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | B | Isolated β-bridge | trans | -56.1 | 130.9 | 172 | -22.2 | 33.1 | 0 | 0 | 0 | 111.4 | Y859 | Y859-P864 HydrophobicContact CE1-CG 3.86Å |
| 865 | Q | 74 | Confident | 78.2 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | trans | -156.4 | 105.5 | -176.9 | 174 | 56.5 | 70.2 | 0 | 0 | 109.3 | L858 G863 T868 F885 N886 | L858-Q865 CarbonylContact C-O 3.49Å; L858-Q865 VanDerWaalsContact CB-O 3.31Å; L858-Q865 WeakPolarHBondContact CB-O 3.33Å; L858-Q865 CarbonylContact O-C 3.46Å; L858-Q865 PolarHBondContact O-N 3.1Å; G863-Q865 PolarHBondContact O-N 3.29Å; Q865-T868 PolarHBondContact NE2-OG1 3.31Å; Q865-F885 WeakPolarHBondContact CG-O 3.2Å; Q865-F885 PolarHBondContact NE2-O 2.82Å; Q865-N886 HydrophobicContact CG-CB 4.42Å; Q865-N886 PolarHBondContact O-ND2 3.18Å | ||
| 866 | L | 85.1 | Confident | 78.3 | Confident | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.199 | 26% | 0.26 | C | S | . | . | trans | -62.4 | 156.2 | 176.8 | -64.8 | -179.3 | 0 | 0 | 0 | 112.4 | N808 K810 F855 A856 T868 | N808-L866 HydrophobicContact CB-CD2 4.39Å; K810-L866 HydrophobicContact CD-CB 4.44Å; K810-L866 HydrophobicContact CD-CD1 4.13Å; K810-L866 HydrophobicContact CG-CD1 4.24Å; F855-L866 VanDerWaalsContact O-CD2 3.31Å; F855-L866 WeakPolarHBondContact O-CD2 3.36Å; A856-L866 VanDerWaalsContact O-CD2 3.32Å; A856-L866 WeakPolarHBondContact O-CD2 3.39Å; L866-T868 PolarHBondContact O-N 2.88Å; L866-T868 PolarHBondContact O-OG1 3.45Å; L866-T868 VanDerWaalsContact O-OG1 3.13Å | ||
| 867 | F | 89.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -55.4 | 134.5 | 168.5 | -167.2 | -90.8 | 0 | 0 | 0 | 109.8 | W805 T809 K810 F825 V844 T845 L858 I869 N886 | W805-F867 AromaticContact CD1-CG 3.91Å; W805-F867 AromaticContact CE2-CD2 3.98Å; W805-F867 AromaticContact CE2-CE2 3.67Å; W805-F867 AromaticContact CE2-CZ 3.85Å; W805-F867 HydrophobicContact CZ2-CD2 4.2Å; W805-F867 AromaticContact CZ2-CE2 3.49Å; W805-F867 HydrophobicContact CZ2-CE2 3.49Å; W805-F867 VanDerWaalsContact CZ2-CE2 3.49Å; W805-F867 AromaticContact CZ2-CZ 3.7Å; W805-F867 HydrophobicContact CZ2-CZ 3.7Å; W805-F867 AromaticContact NE1-CD1 3.42Å; W805-F867 AromaticContact NE1-CD2 3.18Å; W805-F867 AromaticContact NE1-CE1 3.52Å; W805-F867 AromaticContact NE1-CE2 3.27Å; W805-F867 VanDerWaalsContact NE1-CE2 3.27Å; W805-F867 AromaticContact NE1-CG 3.25Å; W805-F867 VanDerWaalsContact NE1-CG 3.25Å; W805-F867 AromaticContact NE1-CZ 3.44Å; T809-F867 WeakPolarHBondContact CA-O 3.45Å; T809-F867 HydrophobicContact CG2-CD1 3.83Å; T809-F867 HydrophobicContact CG2-CE1 4.48Å; T809-F867 WeakPolarHBondContact OG1-CD1 3.33Å; K810-F867 PolarHBondContact N-O 2.96Å; F825-F867 HydrophobicContact CZ-CE1 4.35Å; F825-F867 HydrophobicContact CZ-CZ 4.31Å; V844-F867 HydrophobicContact CB-CD2 4.48Å; V844-F867 HydrophobicContact CB-CE2 3.58Å; V844-F867 HydrophobicContact CB-CZ 4.09Å; V844-F867 HydrophobicContact CG1-CD2 3.9Å; V844-F867 HydrophobicContact CG1-CE2 3.31Å; V844-F867 HydrophobicContact CG1-CZ 3.76Å; V844-F867 HydrophobicContact CG2-CE2 4.06Å; V844-F867 HydrophobicContact CG2-CZ 4.08Å; T845-F867 HydrophobicContact CG2-CD2 4.07Å; T845-F867 HydrophobicContact CG2-CE2 4.42Å; L858-F867 HydrophobicContact CD1-CB 3.87Å; F867-I869 HydrophobicContact CD1-CG1 4.24Å; F867-I869 HydrophobicContact CE1-CD1 4.05Å; F867-I869 HydrophobicContact CE1-CG1 3.72Å; F867-N886 WeakPolarHBondContact CA-O 3.42Å | ||
| 868 | T | 90.8 | Very high | 78.8 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.9 | -174 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | K810 K812 Q865 L866 N886 R887 L888 | K810-T868 CarbonylContact O-C 3.35Å; K810-T868 VanDerWaalsContact O-CA 3.28Å; K810-T868 WeakPolarHBondContact O-CA 3.19Å; K812-T868 HydrophobicContact CD-CG2 3.86Å; K812-T868 HydrophobicContact CG-CG2 4.13Å; Q865-T868 PolarHBondContact NE2-OG1 3.31Å; L866-T868 PolarHBondContact O-N 2.88Å; L866-T868 PolarHBondContact O-OG1 3.45Å; L866-T868 VanDerWaalsContact O-OG1 3.13Å; T868-N886 PolarHBondContact N-O 3.07Å; T868-R887 HydrophobicContact CG2-CG 4.23Å; T868-R887 CarbonylContact O-C 3.53Å; T868-R887 VanDerWaalsContact O-CA 3.28Å; T868-R887 WeakPolarHBondContact O-CA 3.01Å; T868-L888 PolarHBondContact O-N 3.1Å |
| 869 | I | 95.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.4 | 169.8 | -52.3 | 178.2 | 0 | 0 | 0 | 109 | T809 K810 Y811 K812 Y815 I822 F825 W826 F867 L888 L890 | T809-I869 HydrophobicContact CG2-CD1 4.16Å; T809-I869 HydrophobicContact CG2-CG1 4Å; K810-I869 PolarHBondContact O-N 2.87Å; Y811-I869 CarbonylContact C-O 3.46Å; Y811-I869 WeakPolarHBondContact CA-O 3.41Å; Y811-I869 HydrophobicContact CD1-CB 4.2Å; Y811-I869 HydrophobicContact CE1-CD1 4.15Å; K812-I869 PolarHBondContact N-O 3.28Å; Y815-I869 HydrophobicContact CD2-CG2 4.09Å; Y815-I869 HydrophobicContact CE2-CG2 4.35Å; I822-I869 HydrophobicContact CD1-CB 4.13Å; I822-I869 HydrophobicContact CD1-CD1 4.16Å; I822-I869 HydrophobicContact CD1-CG2 3.66Å; F825-I869 HydrophobicContact CD1-CD1 3.52Å; F825-I869 HydrophobicContact CD2-CD1 4.49Å; F825-I869 HydrophobicContact CE1-CD1 3.48Å; F825-I869 VanDerWaalsContact CE1-CD1 3.48Å; F825-I869 HydrophobicContact CE2-CD1 4.46Å; F825-I869 HydrophobicContact CG-CD1 4.05Å; F825-I869 HydrophobicContact CZ-CD1 3.97Å; W826-I869 HydrophobicContact CZ2-CD1 4.46Å; F867-I869 HydrophobicContact CD1-CG1 4.24Å; F867-I869 HydrophobicContact CE1-CD1 4.05Å; F867-I869 HydrophobicContact CE1-CG1 3.72Å; I869-L888 WeakPolarHBondContact CA-O 3.42Å; I869-L888 HydrophobicContact CG1-CB 4.49Å; I869-L888 HydrophobicContact CG1-CD2 4.49Å; I869-L890 HydrophobicContact CG2-CB 3.71Å; I869-L890 HydrophobicContact CG2-CD2 3.76Å; I869-L890 HydrophobicContact CG2-CG 4.4Å |
| 870 | E | 92.6 | Very high | 80.4 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.9 | -173.5 | -168.1 | 159.6 | 137.1 | 0 | 0 | 110.4 | K812 N813 W872 R887 L888 L890 | K812-E870 HydrophobicContact CB-CB 4.06Å; K812-E870 HydrophobicContact CB-CG 3.69Å; K812-E870 WeakPolarHBondContact CD-OE2 3.33Å; K812-E870 IonicContact NZ-OE2 2.9Å; N813-E870 HydrophobicContact CB-CG 4.11Å; N813-E870 VanDerWaalsContact ND2-CD 3.33Å; N813-E870 WeakPolarHBondContact ND2-CG 3.4Å; N813-E870 PolarHBondContact ND2-OE1 3.33Å; E870-W872 PolarHBondContact O-N 3.1Å; E870-R887 HydrophobicContact CB-CG 4.19Å; E870-R887 IonicContact OE1-CZ 2.73Å; E870-R887 IonicContact OE1-NH1 2.71Å; E870-R887 PolarHBondContact OE1-NH1 3.34Å; E870-R887 WeakPolarHBondContact OE2-CD 3.39Å; E870-R887 IonicContact OE2-CZ 2.65Å; E870-R887 IonicContact OE2-NE 3.18Å; E870-R887 PolarHBondContact OE2-NE 3.28Å; E870-R887 IonicContact OE2-NH1 3.95Å; E870-R887 PolarHBondContact OE2-NH1 2.81Å; E870-L888 PolarHBondContact N-O 2.93Å; E870-L890 PolarHBondContact O-N 3.19Å |
| 871 | L | 92.3 | Very high | 81.2 | Confident | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 121.6 | 174.9 | -169.4 | 165.2 | 0 | 0 | 0 | 108.9 | K812 N813 Y815 | K812-L871 PolarHBondContact O-N 3.39Å; N813-L871 HydrophobicContact CB-CB 4.06Å; N813-L871 PolarHBondContact ND2-O 3.25Å; N813-L871 WeakPolarHBondContact O-CB 3.42Å; Y815-L871 HydrophobicContact CD1-CB 4.07Å; Y815-L871 HydrophobicContact CD1-CD1 3.87Å; Y815-L871 HydrophobicContact CD1-CG 4.24Å; Y815-L871 HydrophobicContact CD2-CB 3.77Å; Y815-L871 HydrophobicContact CE1-CB 3.95Å; Y815-L871 HydrophobicContact CE1-CD1 3.57Å; Y815-L871 HydrophobicContact CE1-CG 3.73Å; Y815-L871 HydrophobicContact CE2-CB 3.66Å; Y815-L871 HydrophobicContact CE2-CG 4.12Å; Y815-L871 HydrophobicContact CG-CB 3.99Å |
| 872 | W | 90.9 | Very high | 82.2 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 30% | 0.295 | 27% | 0.266 | S | S | . | . | trans | -147.3 | 138.6 | 179 | 179.4 | 87.9 | 0 | 0 | 0 | 112.9 | E870 K877 R880 D889 L890 P891 | E870-W872 PolarHBondContact O-N 3.1Å; W872-K877 HydrophobicContact CH2-CD 3.68Å; W872-K877 HydrophobicContact CZ3-CB 4.33Å; W872-K877 HydrophobicContact CZ3-CD 3.67Å; W872-R880 VanDerWaalsContact CZ2-NH2 3.33Å; W872-D889 HydrophobicContact CB-CB 3.94Å; W872-D889 HydrophobicContact CG-CB 4.29Å; W872-L890 PolarHBondContact N-O 2.79Å; W872-P891 VanDerWaalsContact O-CA 3.28Å; W872-P891 WeakPolarHBondContact O-CA 3.31Å | ||
| 873 | G | 87.9 | Confident | 82.6 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 73.4 | -153.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P892 | G873-P892 WeakPolarHBondContact O-CD 3.23Š|
| 874 | T | 87.6 | Confident | 82.4 | Confident | 71 Ų | 71 | 42.2 Ų | 42.2 | 44% | 0.436 | 23% | 0.226 | S | C | . | . | trans | -126.7 | 154.8 | -167.6 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | D876 K877 P891 | T874-D876 VanDerWaalsContact C-OD1 3.29Å; T874-D876 WeakPolarHBondContact CB-OD1 3.46Å; T874-D876 PolarHBondContact O-N 3.13Å; T874-D876 PolarHBondContact OG1-OD1 3.43Å; T874-K877 PolarHBondContact O-N 3.03Å; T874-K877 WeakPolarHBondContact OG1-CE 3.47Å; T874-P891 WeakPolarHBondContact O-CB 3.41Å | ||
| 875 | S | 87 | Confident | 82.4 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.5 | -165.4 | 79.3 | 0 | 0 | 0 | 0 | 115.7 | P892 Y893 E894 K898 | S875-P892 WeakPolarHBondContact CB-O 3.16Å; S875-Y893 WeakPolarHBondContact O-CD1 3.47Å; S875-E894 WeakPolarHBondContact CB-OE1 3.4Å; S875-E894 PolarHBondContact OG-OE1 3.19Å; S875-K898 WeakPolarHBondContact O-CE 3.44Å; S875-K898 PolarHBondContact O-NZ 3.41Å; S875-K898 PolarHBondContact OG-NZ 3.44Å |
| 876 | D | 84.3 | Confident | 82.5 | Confident | 93 Ų | 93 | 38.3 Ų | 38.3 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -29.4 | 175.3 | 61.4 | -65 | 0 | 0 | 0 | 113 | T874 K902 | T874-D876 VanDerWaalsContact C-OD1 3.29Å; T874-D876 WeakPolarHBondContact CB-OD1 3.46Å; T874-D876 PolarHBondContact O-N 3.13Å; T874-D876 PolarHBondContact OG1-OD1 3.43Å; D876-K902 PolarHBondContact O-NZ 3.19Å |
| 877 | K | 84.4 | Confident | 82.6 | Confident | 87 Ų | 87 | 39.2 Ų | 39.2 | 38% | 0.378 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -72.4 | 165 | -171.6 | -59.1 | -166.3 | -179.8 | -170.4 | 0 | 112.1 | W872 T874 P891 Y893 | W872-K877 HydrophobicContact CH2-CD 3.68Å; W872-K877 HydrophobicContact CZ3-CB 4.33Å; W872-K877 HydrophobicContact CZ3-CD 3.67Å; T874-K877 PolarHBondContact O-N 3.03Å; T874-K877 WeakPolarHBondContact OG1-CE 3.47Å; K877-P891 HydrophobicContact CB-CG 4.25Å; K877-Y893 WeakPolarHBondContact O-CE1 3.44Å; K877-Y893 PolarHBondContact O-OH 3.38Å; K877-Y893 VanDerWaalsContact O-OH 3.06Å |
| 878 | L | 84.5 | Confident | 82.6 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 38% | 0.382 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -84 | 153.5 | 167.2 | -74.8 | 168.7 | 0 | 0 | 0 | 110.1 | K902 I905 | L878-K902 HydrophobicContact CD2-CB 4.18Å; L878-K902 HydrophobicContact CD2-CD 3.69Å; L878-K902 WeakPolarHBondContact CD2-O 3.36Å; L878-K902 HydrophobicContact CG-CD 4.44Å; L878-I905 HydrophobicContact CD1-CG2 4.34Å; L878-I905 HydrophobicContact CD2-CB 4.12Å; L878-I905 HydrophobicContact CD2-CG2 3.74Å |
| 879 | P | 87.4 | Confident | 82.6 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 147.7 | 170.5 | 33.3 | -31.3 | 0 | 0 | 0 | 110 | L888 D889 L890 Y893 K902 L903 A906 | P879-L888 HydrophobicContact CB-CD1 4.11Å; P879-D889 VanDerWaalsContact CA-O 3.3Å; P879-D889 WeakPolarHBondContact CA-O 3.26Å; P879-L890 HydrophobicContact CB-CD1 4.16Å; P879-Y893 VanDerWaalsContact CD-OH 3.24Å; P879-Y893 WeakPolarHBondContact CD-OH 3.34Å; P879-K902 WeakPolarHBondContact CD-O 3.48Å; P879-L903 HydrophobicContact CG-CD1 3.95Å; P879-A906 HydrophobicContact CG-CB 3.74Å |
| 880 | R | 80.5 | Confident | 82.5 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 22% | 0.223 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 157.8 | -175.2 | -53.5 | -163.5 | -59 | 167.4 | 9.4 | 111 | W872 D889 D917 | W872-R880 VanDerWaalsContact CZ2-NH2 3.33Å; R880-D889 HydrophobicContact CB-CB 4.34Å; R880-D889 PolarHBondContact N-O 2.76Å; R880-D889 PolarHBondContact O-N 2.7Å; R880-D917 PolarHBondContact NH1-O 3.02Å; R880-D917 PolarHBondContact NH1-OXT 3.24Å |
| 881 | A | 77.1 | Confident | 82.6 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F843 R887 | F843-A881 HydrophobicContact CD1-CB 3.9Å; F843-A881 HydrophobicContact CD2-CB 4.3Å; F843-A881 HydrophobicContact CE1-CB 3.72Å; F843-A881 HydrophobicContact CE2-CB 4.14Å; F843-A881 HydrophobicContact CG-CB 4.19Å; F843-A881 HydrophobicContact CZ-CB 3.84Å; F843-A881 WeakPolarHBondContact O-CB 3.49Å; A881-R887 WeakPolarHBondContact CA-O 3.26Å |
| 882 | H | 70.9 | Confident | 82.6 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 85.4 | 175.5 | -55.1 | -90.7 | 0 | 0 | 0 | 109.8 | C884 F885 N886 R887 D889 | H882-C884 PolarHBondContact O-N 3.1Å; H882-F885 HydrophobicContact CB-CD2 3.99Å; H882-F885 CarbonylContact O-C 3.57Å; H882-F885 PolarHBondContact O-N 3.44Å; H882-N886 PolarHBondContact O-N 2.77Å; H882-N886 VanDerWaalsContact O-N 3.12Å; H882-R887 HydrophobicContact CB-CB 4.28Å; H882-R887 PolarHBondContact N-O 2.69Å; H882-R887 PolarHBondContact O-N 2.72Å; H882-D889 IonicContact CD2-OD1 2.63Å; H882-D889 PolarHBondContact CD2-OD1 2.98Å; H882-D889 IonicContact CD2-OD2 2.73Å; H882-D889 IonicContact CE1-OD2 3.16Å; H882-D889 VanDerWaalsContact NE2-CG 3.32Å; H882-D889 IonicContact NE2-OD1 3.96Å; H882-D889 PolarHBondContact NE2-OD1 2.84Å; H882-D889 IonicContact NE2-OD2 2.72Å; H882-D889 PolarHBondContact NE2-OD2 2.91Å |
| 883 | T | 60.8 | Low | 82.8 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15 | -176 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | G604 R607 F843 V844 | G604-T883 WeakPolarHBondContact CA-OG1 3.28Å; R607-T883 PolarHBondContact NH1-O 3.45Å; F843-T883 WeakPolarHBondContact O-CG2 3.21Å; V844-T883 WeakPolarHBondContact O-CA 3.49Å |
| 884 | C | 56.6 | Low | 82.9 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 11% | 0.108 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -34.7 | 169.2 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | Y602 G604 G860 S861 H882 | Y602-C884 VanDerWaalsContact CB-SG 3.53Å; G604-C884 PolarHBondContact N-SG 3.1Å; G604-C884 VanDerWaalsContact N-SG 3.39Å; G860-C884 CarbonylContact C-O 3.44Å; G860-C884 WeakPolarHBondContact CA-O 3.06Å; S861-C884 PolarHBondContact N-O 3.07Å; H882-C884 PolarHBondContact O-N 3.1Å |
| 885 | F | 71.3 | Confident | 83 | Confident | 77 Ų | 77 | 37.5 Ų | 37.5 | 34% | 0.338 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 5.9 | -173.1 | -53.1 | -62.6 | 0 | 0 | 0 | 113.8 | Q865 H882 R887 | Q865-F885 WeakPolarHBondContact CG-O 3.2Å; Q865-F885 PolarHBondContact NE2-O 2.82Å; H882-F885 HydrophobicContact CB-CD2 3.99Å; H882-F885 CarbonylContact O-C 3.57Å; H882-F885 PolarHBondContact O-N 3.44Å; F885-R887 HydrophobicContact CB-CB 4.23Å; F885-R887 PolarHBondContact O-N 3.46Å |
| 886 | N | 76.3 | Confident | 82.9 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.4 | -173.7 | -58.1 | -27.2 | 0 | 0 | 0 | 112 | T845 Y859 Q865 F867 T868 H882 | T845-N886 HydrophobicContact CG2-CB 4.11Å; Y859-N886 PolarHBondContact O-ND2 3.09Å; Q865-N886 HydrophobicContact CG-CB 4.42Å; Q865-N886 PolarHBondContact O-ND2 3.18Å; F867-N886 WeakPolarHBondContact CA-O 3.42Å; T868-N886 PolarHBondContact N-O 3.07Å; H882-N886 PolarHBondContact O-N 2.77Å; H882-N886 VanDerWaalsContact O-N 3.12Å |
| 887 | R | 86.1 | Confident | 83.1 | Confident | 57 Ų | 57 | 38.4 Ų | 38.4 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.8 | -171.6 | -171.6 | -166.7 | -54.4 | -168.1 | 8.8 | 112 | T868 E870 A881 H882 F885 D889 | T868-R887 HydrophobicContact CG2-CG 4.23Å; T868-R887 CarbonylContact O-C 3.53Å; T868-R887 VanDerWaalsContact O-CA 3.28Å; T868-R887 WeakPolarHBondContact O-CA 3.01Å; E870-R887 HydrophobicContact CB-CG 4.19Å; E870-R887 IonicContact OE1-CZ 2.73Å; E870-R887 IonicContact OE1-NH1 2.71Å; E870-R887 PolarHBondContact OE1-NH1 3.34Å; E870-R887 WeakPolarHBondContact OE2-CD 3.39Å; E870-R887 IonicContact OE2-CZ 2.65Å; E870-R887 IonicContact OE2-NE 3.18Å; E870-R887 PolarHBondContact OE2-NE 3.28Å; E870-R887 IonicContact OE2-NH1 3.95Å; E870-R887 PolarHBondContact OE2-NH1 2.81Å; A881-R887 WeakPolarHBondContact CA-O 3.26Å; H882-R887 HydrophobicContact CB-CB 4.28Å; H882-R887 PolarHBondContact N-O 2.69Å; H882-R887 PolarHBondContact O-N 2.72Å; F885-R887 HydrophobicContact CB-CB 4.23Å; F885-R887 PolarHBondContact O-N 3.46Å; R887-D889 VanDerWaalsContact CD-OD1 3.23Å; R887-D889 WeakPolarHBondContact CD-OD1 3.14Å |
| 888 | L | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.2 | 166.9 | 179.6 | 68.8 | 0 | 0 | 0 | 109.2 | F825 F843 V844 T868 I869 E870 P879 L890 | F825-L888 HydrophobicContact CD2-CD2 3.98Å; F825-L888 HydrophobicContact CE2-CD2 3.35Å; F825-L888 HydrophobicContact CZ-CD2 3.94Å; F843-L888 HydrophobicContact CD1-CD1 4.36Å; F843-L888 HydrophobicContact CE1-CD1 3.91Å; V844-L888 HydrophobicContact CG1-CB 4.07Å; V844-L888 HydrophobicContact CG2-CB 3.93Å; V844-L888 HydrophobicContact CG2-CD1 3.88Å; V844-L888 HydrophobicContact CG2-CG 4.34Å; T868-L888 PolarHBondContact O-N 3.1Å; I869-L888 WeakPolarHBondContact CA-O 3.42Å; I869-L888 HydrophobicContact CG1-CB 4.49Å; I869-L888 HydrophobicContact CG1-CD2 4.49Å; E870-L888 PolarHBondContact N-O 2.93Å; P879-L888 HydrophobicContact CB-CD1 4.11Å; L888-L890 HydrophobicContact CD2-CB 4.47Å; L888-L890 HydrophobicContact CD2-CD1 4.48Å; L888-L890 HydrophobicContact CG-CB 4.34Å; L888-L890 PolarHBondContact O-N 2.97Å |
| 889 | D | 89.1 | Confident | 83.7 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 107.5 | 167.7 | -70.1 | 4.9 | 0 | 0 | 0 | 107.2 | W872 P879 R880 H882 R887 | W872-D889 HydrophobicContact CB-CB 3.94Å; W872-D889 HydrophobicContact CG-CB 4.29Å; P879-D889 VanDerWaalsContact CA-O 3.3Å; P879-D889 WeakPolarHBondContact CA-O 3.26Å; R880-D889 HydrophobicContact CB-CB 4.34Å; R880-D889 PolarHBondContact N-O 2.76Å; R880-D889 PolarHBondContact O-N 2.7Å; H882-D889 IonicContact CD2-OD1 2.63Å; H882-D889 PolarHBondContact CD2-OD1 2.98Å; H882-D889 IonicContact CD2-OD2 2.73Å; H882-D889 IonicContact CE1-OD2 3.16Å; H882-D889 VanDerWaalsContact NE2-CG 3.32Å; H882-D889 IonicContact NE2-OD1 3.96Å; H882-D889 PolarHBondContact NE2-OD1 2.84Å; H882-D889 IonicContact NE2-OD2 2.72Å; H882-D889 PolarHBondContact NE2-OD2 2.91Å; R887-D889 VanDerWaalsContact CD-OD1 3.23Å; R887-D889 WeakPolarHBondContact CD-OD1 3.14Å |
| 890 | L | 94.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.2 | -171.7 | -178.2 | 67.9 | 0 | 0 | 0 | 109.8 | Y815 V821 I822 F825 I869 E870 W872 P879 L888 Y893 | Y815-L890 HydrophobicContact CE2-CB 4.04Å; Y815-L890 HydrophobicContact CE2-CD2 4.32Å; Y815-L890 HydrophobicContact CE2-CG 4.35Å; Y815-L890 WeakPolarHBondContact CE2-O 3.15Å; Y815-L890 PolarHBondContact OH-O 2.73Å; V821-L890 HydrophobicContact CG1-CD2 3.98Å; V821-L890 HydrophobicContact CG1-CG 4.28Å; I822-L890 HydrophobicContact CD1-CD2 4.21Å; F825-L890 HydrophobicContact CB-CD2 4.16Å; F825-L890 HydrophobicContact CD2-CD2 4.27Å; F825-L890 HydrophobicContact CG-CD2 4.42Å; I869-L890 HydrophobicContact CG2-CB 3.71Å; I869-L890 HydrophobicContact CG2-CD2 3.76Å; I869-L890 HydrophobicContact CG2-CG 4.4Å; E870-L890 PolarHBondContact O-N 3.19Å; W872-L890 PolarHBondContact N-O 2.79Å; P879-L890 HydrophobicContact CB-CD1 4.16Å; L888-L890 HydrophobicContact CD2-CB 4.47Å; L888-L890 HydrophobicContact CD2-CD1 4.48Å; L888-L890 HydrophobicContact CG-CB 4.34Å; L888-L890 PolarHBondContact O-N 2.97Å; L890-Y893 HydrophobicContact CD1-CD2 4.45Å; L890-Y893 HydrophobicContact CD1-CE2 3.85Å |
| 891 | P | 94.2 | Very high | 84 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -66.7 | 150.9 | 175.9 | -26.1 | 34.8 | 0 | 0 | 0 | 114.7 | Y815 W872 T874 K877 Y893 | Y815-P891 VanDerWaalsContact OH-C 3.26Å; Y815-P891 PolarHBondContact OH-O 2.81Å; W872-P891 VanDerWaalsContact O-CA 3.28Å; W872-P891 WeakPolarHBondContact O-CA 3.31Å; T874-P891 WeakPolarHBondContact O-CB 3.41Å; K877-P891 HydrophobicContact CB-CG 4.25Å; P891-Y893 VanDerWaalsContact C-N 3.3Å; P891-Y893 HydrophobicContact CB-CE1 4.02Å; P891-Y893 HydrophobicContact CB-CE2 4.16Å; P891-Y893 WeakPolarHBondContact CD-OH 3.29Å; P891-Y893 HydrophobicContact CG-CE1 4.42Å; P891-Y893 HydrophobicContact CG-CE2 4.41Å; P891-Y893 WeakPolarHBondContact O-CD2 3.41Å; P891-Y893 PolarHBondContact O-N 3.2Å | ||
| 892 | P | 93.3 | Very high | 84.5 | Confident | 45 Ų | 45 | 41 Ų | 41 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | trans | -75.2 | 80.4 | 175 | 32.1 | -34.8 | 0 | 0 | 0 | 110.7 | Y815 G873 S875 | Y815-P892 WeakPolarHBondContact OH-CA 3.43Å; G873-P892 WeakPolarHBondContact O-CD 3.23Å; S875-P892 WeakPolarHBondContact CB-O 3.16Å | ||
| 893 | Y | 93.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | trans | -66.2 | 150.5 | 176 | -60.1 | -66.5 | 0 | 0 | 0 | 112.4 | W824 S875 K877 P879 L890 P891 K898 L899 K902 | W824-Y893 WeakPolarHBondContact CZ3-O 3.22Å; S875-Y893 WeakPolarHBondContact O-CD1 3.47Å; K877-Y893 WeakPolarHBondContact O-CE1 3.44Å; K877-Y893 PolarHBondContact O-OH 3.38Å; K877-Y893 VanDerWaalsContact O-OH 3.06Å; P879-Y893 VanDerWaalsContact CD-OH 3.24Å; P879-Y893 WeakPolarHBondContact CD-OH 3.34Å; L890-Y893 HydrophobicContact CD1-CD2 4.45Å; L890-Y893 HydrophobicContact CD1-CE2 3.85Å; P891-Y893 VanDerWaalsContact C-N 3.3Å; P891-Y893 HydrophobicContact CB-CE1 4.02Å; P891-Y893 HydrophobicContact CB-CE2 4.16Å; P891-Y893 WeakPolarHBondContact CD-OH 3.29Å; P891-Y893 HydrophobicContact CG-CE1 4.42Å; P891-Y893 HydrophobicContact CG-CE2 4.41Å; P891-Y893 WeakPolarHBondContact O-CD2 3.41Å; P891-Y893 PolarHBondContact O-N 3.2Å; Y893-K898 HydrophobicContact CD1-CD 4.16Å; Y893-K898 HydrophobicContact CD1-CG 4.04Å; Y893-L899 HydrophobicContact CD2-CB 3.69Å; Y893-L899 HydrophobicContact CD2-CD1 4.01Å; Y893-L899 HydrophobicContact CD2-CG 3.75Å; Y893-L899 HydrophobicContact CE2-CB 4.41Å; Y893-L899 HydrophobicContact CE2-CG 4.2Å; Y893-L899 HydrophobicContact CG-CB 4.13Å; Y893-K902 HydrophobicContact CD1-CG 4.47Å; Y893-K902 HydrophobicContact CE1-CB 3.88Å; Y893-K902 HydrophobicContact CE1-CD 4.47Å; Y893-K902 HydrophobicContact CE1-CG 3.74Å; Y893-K902 WeakPolarHBondContact OH-CB 3.41Å | ||
| 894 | E | 90.3 | Very high | 86 | Confident | 127 Ų | 127 | 39.3 Ų | 39.3 | 59% | 0.593 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -85.7 | -15.2 | 178.3 | -60.2 | 111.9 | -162.8 | 0 | 0 | 114.4 | W824 S875 K898 | W824-E894 VanDerWaalsContact CH2-O 3.3Å; W824-E894 WeakPolarHBondContact CH2-O 3.41Å; S875-E894 WeakPolarHBondContact CB-OE1 3.4Å; S875-E894 PolarHBondContact OG-OE1 3.19Å; E894-K898 IonicContact OE1-NZ 2.74Å; E894-K898 IonicContact OE2-NZ 3.21Å; E894-K898 PolarHBondContact OE2-NZ 2.8Å |
| 895 | S | 89.8 | Confident | 87.1 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 26% | 0.259 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -144.9 | 160.1 | 177.7 | 85.3 | 0 | 0 | 0 | 0 | 113.7 | W824 E897 K898 L899 | W824-S895 VanDerWaalsContact CZ3-CA 3.44Å; S895-E897 VanDerWaalsContact C-N 3.29Å; S895-E897 WeakPolarHBondContact CB-OE2 3.43Å; S895-E897 PolarHBondContact O-N 2.95Å; S895-E897 PolarHBondContact OG-N 3.02Å; S895-E897 PolarHBondContact OG-OE2 3.47Å; S895-E897 VanDerWaalsContact OG-OE2 3.11Å; S895-K898 PolarHBondContact O-N 3.47Å; S895-K898 PolarHBondContact OG-N 2.86Å; S895-K898 VanDerWaalsContact OG-N 3.11Å; S895-L899 PolarHBondContact O-N 2.81Å; S895-L899 VanDerWaalsContact O-N 3.12Å |
| 896 | F | 86.2 | Confident | 87.3 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -39.3 | 173.9 | 167.9 | -108.6 | 0 | 0 | 0 | 111.6 | W824 K827 T828 L831 L899 R900 | W824-F896 HydrophobicContact CB-CB 4.5Å; W824-F896 HydrophobicContact CB-CD2 3.99Å; W824-F896 HydrophobicContact CD2-CB 4.06Å; W824-F896 HydrophobicContact CG-CB 3.93Å; W824-F896 HydrophobicContact CG-CD2 4.18Å; K827-F896 HydrophobicContact CB-CE2 3.98Å; K827-F896 HydrophobicContact CD-CD2 3.93Å; K827-F896 HydrophobicContact CD-CE2 3.67Å; K827-F896 HydrophobicContact CD-CZ 4.03Å; K827-F896 HydrophobicContact CG-CD2 4.33Å; K827-F896 HydrophobicContact CG-CE2 3.64Å; K827-F896 HydrophobicContact CG-CZ 4.03Å; T828-F896 WeakPolarHBondContact OG1-CE2 3.47Å; L831-F896 HydrophobicContact CD1-CZ 3.78Å; F896-L899 PolarHBondContact O-N 2.85Å; F896-R900 VanDerWaalsContact O-CB 3.3Å; F896-R900 WeakPolarHBondContact O-CB 3.19Å; F896-R900 PolarHBondContact O-N 3.37Å |
| 897 | E | 88.6 | Confident | 87.2 | Confident | 121 Ų | 121 | 38.7 Ų | 38.7 | 57% | 0.565 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66.1 | -47.2 | -180 | -61 | 67 | -144.9 | 0 | 0 | 110.7 | S895 L899 R900 E901 | S895-E897 VanDerWaalsContact C-N 3.29Å; S895-E897 WeakPolarHBondContact CB-OE2 3.43Å; S895-E897 PolarHBondContact O-N 2.95Å; S895-E897 PolarHBondContact OG-N 3.02Å; S895-E897 PolarHBondContact OG-OE2 3.47Å; S895-E897 VanDerWaalsContact OG-OE2 3.11Å; E897-L899 VanDerWaalsContact C-N 3.3Å; E897-L899 PolarHBondContact O-N 3.01Å; E897-R900 PolarHBondContact O-N 2.9Å; E897-E901 WeakPolarHBondContact O-CB 3.3Å; E897-E901 PolarHBondContact O-N 3.37Å |
| 898 | K | 88.1 | Confident | 86.1 | Confident | 52 Ų | 52 | 40 Ų | 40 | 23% | 0.226 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 177.5 | -162.3 | -177.5 | -165.4 | -171.6 | 0 | 110.9 | S875 Y893 E894 S895 K902 | S875-K898 WeakPolarHBondContact O-CE 3.44Å; S875-K898 PolarHBondContact O-NZ 3.41Å; S875-K898 PolarHBondContact OG-NZ 3.44Å; Y893-K898 HydrophobicContact CD1-CD 4.16Å; Y893-K898 HydrophobicContact CD1-CG 4.04Å; E894-K898 IonicContact OE1-NZ 2.74Å; E894-K898 IonicContact OE2-NZ 3.21Å; E894-K898 PolarHBondContact OE2-NZ 2.8Å; S895-K898 PolarHBondContact O-N 3.47Å; S895-K898 PolarHBondContact OG-N 2.86Å; S895-K898 VanDerWaalsContact OG-N 3.11Å; K898-K902 VanDerWaalsContact O-CB 3.27Å; K898-K902 WeakPolarHBondContact O-CB 3.32Å; K898-K902 WeakPolarHBondContact O-CG 3.36Å; K898-K902 PolarHBondContact O-N 3.31Å |
| 899 | L | 93.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -51.6 | 173 | -173.3 | 157.2 | 0 | 0 | 0 | 111.7 | V821 W824 F825 Y893 S895 F896 E897 E901 K902 L903 | V821-L899 HydrophobicContact CG1-CD1 3.78Å; V821-L899 WeakPolarHBondContact O-CD1 3.5Å; W824-L899 HydrophobicContact CB-CD1 3.91Å; F825-L899 HydrophobicContact CB-CD1 4.42Å; Y893-L899 HydrophobicContact CD2-CB 3.69Å; Y893-L899 HydrophobicContact CD2-CD1 4.01Å; Y893-L899 HydrophobicContact CD2-CG 3.75Å; Y893-L899 HydrophobicContact CE2-CB 4.41Å; Y893-L899 HydrophobicContact CE2-CG 4.2Å; Y893-L899 HydrophobicContact CG-CB 4.13Å; S895-L899 PolarHBondContact O-N 2.81Å; S895-L899 VanDerWaalsContact O-N 3.12Å; F896-L899 PolarHBondContact O-N 2.85Å; E897-L899 VanDerWaalsContact C-N 3.3Å; E897-L899 PolarHBondContact O-N 3.01Å; L899-E901 VanDerWaalsContact C-N 3.3Å; L899-E901 PolarHBondContact O-N 2.82Å; L899-K902 PolarHBondContact O-N 3.23Å; L899-L903 HydrophobicContact CD2-CB 4.44Å; L899-L903 HydrophobicContact CD2-CD2 4.14Å; L899-L903 WeakPolarHBondContact O-CB 2.83Å; L899-L903 PolarHBondContact O-N 3.13Å |
| 900 | R | 87.3 | Confident | 82.9 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.2 | -44.2 | -178.7 | -177.9 | -176.9 | -173.9 | -168.3 | 7.3 | 110.9 | D485 T828 F896 E897 N904 | D485-R900 IonicContact OD1-NH1 2.71Å; D485-R900 PolarHBondContact OD1-NH1 2.82Å; D485-R900 VanDerWaalsContact OD1-NH1 3.12Å; D485-R900 IonicContact OD1-NH2 3.5Å; T828-R900 HydrophobicContact CG2-CB 4.35Å; T828-R900 HydrophobicContact CG2-CG 4.16Å; F896-R900 VanDerWaalsContact O-CB 3.3Å; F896-R900 WeakPolarHBondContact O-CB 3.19Å; F896-R900 PolarHBondContact O-N 3.37Å; E897-R900 PolarHBondContact O-N 2.9Å; R900-N904 WeakPolarHBondContact O-CB 3.38Å; R900-N904 PolarHBondContact O-N 3.33Å; R900-N904 VanDerWaalsContact O-N 3.14Å; R900-N904 PolarHBondContact O-ND2 2.96Å |
| 901 | E | 85.9 | Confident | 80.4 | Confident | 114 Ų | 114 | 56.1 Ų | 56.1 | 53% | 0.533 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -60.8 | 175.8 | -178.9 | -175.1 | -155.6 | 0 | 0 | 111.3 | E897 L899 L903 N904 I905 | E897-E901 WeakPolarHBondContact O-CB 3.3Å; E897-E901 PolarHBondContact O-N 3.37Å; L899-E901 VanDerWaalsContact C-N 3.3Å; L899-E901 PolarHBondContact O-N 2.82Å; E901-L903 VanDerWaalsContact C-N 3.26Å; E901-L903 PolarHBondContact O-N 2.85Å; E901-N904 PolarHBondContact O-N 3.45Å; E901-N904 VanDerWaalsContact O-N 3.15Å; E901-I905 HydrophobicContact CG-CD1 3.72Å; E901-I905 HydrophobicContact CG-CG1 4.49Å; E901-I905 WeakPolarHBondContact O-CG1 3.45Å; E901-I905 PolarHBondContact O-N 2.65Å |
| 902 | K | 87.6 | Confident | 77.8 | Confident | 50 Ų | 50 | 57 Ų | 57 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -34.4 | -175.8 | -67.9 | -82.1 | 178.8 | 167.8 | 0 | 112.8 | D876 L878 P879 Y893 K898 L899 A906 | D876-K902 PolarHBondContact O-NZ 3.19Å; L878-K902 HydrophobicContact CD2-CB 4.18Å; L878-K902 HydrophobicContact CD2-CD 3.69Å; L878-K902 WeakPolarHBondContact CD2-O 3.36Å; L878-K902 HydrophobicContact CG-CD 4.44Å; P879-K902 WeakPolarHBondContact CD-O 3.48Å; Y893-K902 HydrophobicContact CD1-CG 4.47Å; Y893-K902 HydrophobicContact CE1-CB 3.88Å; Y893-K902 HydrophobicContact CE1-CD 4.47Å; Y893-K902 HydrophobicContact CE1-CG 3.74Å; Y893-K902 WeakPolarHBondContact OH-CB 3.41Å; K898-K902 VanDerWaalsContact O-CB 3.27Å; K898-K902 WeakPolarHBondContact O-CB 3.32Å; K898-K902 WeakPolarHBondContact O-CG 3.36Å; K898-K902 PolarHBondContact O-N 3.31Å; L899-K902 PolarHBondContact O-N 3.23Å; K902-A906 PolarHBondContact O-N 3.14Å; K902-A906 VanDerWaalsContact O-N 3.12Å |
| 903 | L | 85.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.7 | -45.7 | 176.1 | -172.4 | 62.6 | 0 | 0 | 0 | 111.9 | F825 T828 M832 L840 P879 L899 E901 I905 A906 I907 | F825-L903 HydrophobicContact CD2-CD2 3.85Å; F825-L903 HydrophobicContact CE2-CD1 4.49Å; F825-L903 HydrophobicContact CE2-CD2 3.88Å; T828-L903 HydrophobicContact CG2-CD2 4.03Å; M832-L903 HydrophobicContact CE-CD2 4.3Å; M832-L903 HydrophobicContact CE-CG 4.46Å; L840-L903 HydrophobicContact CD1-CD1 4.06Å; P879-L903 HydrophobicContact CG-CD1 3.95Å; L899-L903 HydrophobicContact CD2-CB 4.44Å; L899-L903 HydrophobicContact CD2-CD2 4.14Å; L899-L903 WeakPolarHBondContact O-CB 2.83Å; L899-L903 PolarHBondContact O-N 3.13Å; E901-L903 VanDerWaalsContact C-N 3.26Å; E901-L903 PolarHBondContact O-N 2.85Å; L903-I905 PolarHBondContact O-N 3.17Å; L903-A906 PolarHBondContact O-N 3.33Å; L903-I907 HydrophobicContact CD1-CD1 4.3Å; L903-I907 HydrophobicContact CG-CD1 3.92Å; L903-I907 VanDerWaalsContact O-CD1 3.31Å; L903-I907 WeakPolarHBondContact O-CD1 3.24Å; L903-I907 WeakPolarHBondContact O-CG1 3.36Å; L903-I907 PolarHBondContact O-N 3.41Å |
| 904 | N | 78.4 | Confident | 72.6 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.6 | -77.1 | -55.7 | 0 | 0 | 0 | 111.4 | R900 E901 A906 I907 E908 | R900-N904 WeakPolarHBondContact O-CB 3.38Å; R900-N904 PolarHBondContact O-N 3.33Å; R900-N904 VanDerWaalsContact O-N 3.14Å; R900-N904 PolarHBondContact O-ND2 2.96Å; E901-N904 PolarHBondContact O-N 3.45Å; E901-N904 VanDerWaalsContact O-N 3.15Å; N904-A906 VanDerWaalsContact C-N 3.32Å; N904-A906 PolarHBondContact O-N 2.98Å; N904-I907 PolarHBondContact O-N 3.47Å; N904-E908 WeakPolarHBondContact O-CB 3.22Å; N904-E908 WeakPolarHBondContact O-CG 3.33Å; N904-E908 PolarHBondContact O-N 2.73Å |
| 905 | I | 78.4 | Confident | 69.8 | Low | 60 Ų | 60 | 60 Ų | 60 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57 | -44.4 | 177.2 | -70.3 | 173 | 0 | 0 | 0 | 111.4 | L878 E901 L903 N909 | L878-I905 HydrophobicContact CD1-CG2 4.34Å; L878-I905 HydrophobicContact CD2-CB 4.12Å; L878-I905 HydrophobicContact CD2-CG2 3.74Å; E901-I905 HydrophobicContact CG-CD1 3.72Å; E901-I905 HydrophobicContact CG-CG1 4.49Å; E901-I905 WeakPolarHBondContact O-CG1 3.45Å; E901-I905 PolarHBondContact O-N 2.65Å; L903-I905 PolarHBondContact O-N 3.17Å; I905-N909 WeakPolarHBondContact CG2-ND2 3.2Å; I905-N909 VanDerWaalsContact O-CB 3.27Å; I905-N909 WeakPolarHBondContact O-CB 3.48Å; I905-N909 PolarHBondContact O-N 3.47Å; I905-N909 PolarHBondContact O-ND2 2.93Å |
| 906 | A | 76.9 | Confident | 67.2 | Low | 10 Ų | 10 | 61.6 Ų | 61.6 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F843 P879 K902 L903 N904 A910 | F843-A906 HydrophobicContact CE1-CB 4.34Å; F843-A906 HydrophobicContact CE2-CB 4.49Å; F843-A906 HydrophobicContact CZ-CB 3.95Å; P879-A906 HydrophobicContact CG-CB 3.74Å; K902-A906 PolarHBondContact O-N 3.14Å; K902-A906 VanDerWaalsContact O-N 3.12Å; L903-A906 PolarHBondContact O-N 3.33Å; N904-A906 VanDerWaalsContact C-N 3.32Å; N904-A906 PolarHBondContact O-N 2.98Å; A906-A910 WeakPolarHBondContact O-CB 3.29Å; A906-A910 PolarHBondContact O-N 2.98Å |
| 907 | I | 72.6 | Confident | 64.5 | Low | 12 Ų | 12 | 69.8 Ų | 69.8 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | 178.4 | -64.4 | 159.8 | 0 | 0 | 0 | 111.6 | M832 R839 L840 L903 N904 | M832-I907 HydrophobicContact CE-CD1 3.42Å; M832-I907 VanDerWaalsContact CE-CD1 3.42Å; R839-I907 HydrophobicContact CB-CG2 3.38Å; R839-I907 HydrophobicContact CG-CG2 4.46Å; L840-I907 HydrophobicContact CB-CD1 3.82Å; L840-I907 HydrophobicContact CB-CG1 4.33Å; L840-I907 HydrophobicContact CD1-CD1 4.01Å; L840-I907 HydrophobicContact CD1-CG1 4.24Å; L840-I907 HydrophobicContact CG-CD1 4.35Å; L903-I907 HydrophobicContact CD1-CD1 4.3Å; L903-I907 HydrophobicContact CG-CD1 3.92Å; L903-I907 VanDerWaalsContact O-CD1 3.31Å; L903-I907 WeakPolarHBondContact O-CD1 3.24Å; L903-I907 WeakPolarHBondContact O-CG1 3.36Å; L903-I907 PolarHBondContact O-N 3.41Å; N904-I907 PolarHBondContact O-N 3.47Å |
| 908 | E | 64 | Low | 63.3 | Low | 85 Ų | 85 | 67.3 Ų | 67.3 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -82.1 | -29.6 | -173.5 | -69.6 | 175.8 | -179.7 | 0 | 0 | 112.8 | K836 N904 | K836-E908 IonicContact NZ-OE1 3.37Å; K836-E908 PolarHBondContact NZ-OE1 2.71Å; N904-E908 WeakPolarHBondContact O-CB 3.22Å; N904-E908 WeakPolarHBondContact O-CG 3.33Å; N904-E908 PolarHBondContact O-N 2.73Å |
| 909 | N | 59.5 | Low | 62 | Low | 123 Ų | 123 | 68.1 Ų | 68.1 | 66% | 0.658 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -86.8 | -5.3 | 176.4 | -69 | -25.1 | 0 | 0 | 0 | 114.6 | I905 Q911 | I905-N909 WeakPolarHBondContact CG2-ND2 3.2Å; I905-N909 VanDerWaalsContact O-CB 3.27Å; I905-N909 WeakPolarHBondContact O-CB 3.48Å; I905-N909 PolarHBondContact O-N 3.47Å; I905-N909 PolarHBondContact O-ND2 2.93Å; N909-Q911 PolarHBondContact O-N 3.46Å |
| 910 | A | 53.2 | Low | 60.2 | Low | 42 Ų | 42 | 71.8 Ų | 71.8 | 35% | 0.347 | 39% | 0.388 | S | S | . | . | trans | -74.5 | 47.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F843 A906 G912 | F843-A910 HydrophobicContact CD2-CB 3.75Å; F843-A910 HydrophobicContact CE2-CB 4.1Å; A906-A910 WeakPolarHBondContact O-CB 3.29Å; A906-A910 PolarHBondContact O-N 2.98Å; A910-G912 PolarHBondContact O-N 3.35Å; A910-G912 VanDerWaalsContact O-N 3.08Å | ||
| 911 | Q | 40.7 | Very low | 58.6 | Low | 181 Ų | 181 | 71.9 Ų | 71.9 | 85% | 0.846 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -84.3 | 57.8 | 173.5 | -63.5 | -165.3 | 22.5 | 0 | 0 | 111.8 | N909 | N909-Q911 PolarHBondContact O-N 3.46Š|
| 912 | G | 40.6 | Very low | 56.9 | Low | 19 Ų | 19 | 69.3 Ų | 69.3 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 125 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A910 D914 | A910-G912 PolarHBondContact O-N 3.35Å; A910-G912 VanDerWaalsContact O-N 3.08Å; G912-D914 PolarHBondContact O-N 3.34Å |
| 913 | F | 41.4 | Very low | 54.9 | Low | 45 Ų | 45 | 70.6 Ų | 70.6 | 20% | 0.197 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -86.6 | 7.3 | -170.6 | -91.2 | -95.9 | 0 | 0 | 0 | 115.5 | L605 E608 G915 V916 | L605-F913 HydrophobicContact CD2-CB 4.39Å; L605-F913 HydrophobicContact CD2-CD1 4.22Å; L605-F913 HydrophobicContact CD2-CD2 3.44Å; L605-F913 VanDerWaalsContact CD2-CD2 3.44Å; L605-F913 HydrophobicContact CD2-CE1 4.38Å; L605-F913 HydrophobicContact CD2-CE2 3.63Å; L605-F913 HydrophobicContact CD2-CG 3.75Å; L605-F913 HydrophobicContact CD2-CZ 4.11Å; E608-F913 HydrophobicContact CB-CE2 4Å; E608-F913 HydrophobicContact CG-CE2 4.34Å; E608-F913 WeakPolarHBondContact OE2-CD2 3.48Å; E608-F913 WeakPolarHBondContact OE2-CE2 3.37Å; F913-G915 PolarHBondContact O-N 3.35Å; F913-V916 HydrophobicContact CD1-CB 4.5Å; F913-V916 HydrophobicContact CD1-CG2 3.92Å; F913-V916 PolarHBondContact O-N 2.92Å; F913-V916 VanDerWaalsContact O-N 3.16Å |
| 914 | D | 35.6 | Very low | 52.7 | Low | 146 Ų | 146 | 75.6 Ų | 75.6 | 78% | 0.781 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 12.8 | -178.1 | -72.2 | -29.8 | 0 | 0 | 0 | 115.3 | G912 | G912-D914 PolarHBondContact O-N 3.34Š|
| 915 | G | 32.3 | Very low | 50.7 | Low | 52 Ų | 52 | 79.2 Ų | 79.2 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 9.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | F913 | F913-G915 PolarHBondContact O-N 3.35Š|
| 916 | V | 34.7 | Very low | 48.4 | Very low | 69 Ų | 69 | 80.8 Ų | 80.8 | 42% | 0.418 | 46% | 0.459 | S | S | . | . | trans | -122.7 | 62.1 | -169.1 | -161.5 | 0 | 0 | 0 | 0 | 113.4 | F913 | F913-V916 HydrophobicContact CD1-CB 4.5Å; F913-V916 HydrophobicContact CD1-CG2 3.92Å; F913-V916 PolarHBondContact O-N 2.92Å; F913-V916 VanDerWaalsContact O-N 3.16Å | ||
| 917 | D | 29.3 | Very low | 45.8 | Very low | 185 Ų | 185 | 87.2 Ų | 87.2 | 99% | 0.989 | 49% | 0.493 | S | S | * | . | trans | -144.4 | 0 | 144.7 | -99 | -35.1 | 0 | 0 | 0 | 108.7 | R880 | R880-D917 PolarHBondContact NH1-O 3.02Å; R880-D917 PolarHBondContact NH1-OXT 3.24Å |
Retrieved 917 of 917 residues in 613 ms
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