| 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 | 37.5 | Very low | 59.3 | Low | 240 Ų | 240 | 117.6 Ų | 117.6 | 100% | 1.182 | 69% | 0.693 | S | S | * | * | 0 | 92.2 | 0 | -80.2 | 178.9 | 173.7 | 0 | 0 | 108.3 | |||||
| 2 | T | 43.8 | Very low | 61.4 | Low | 146 Ų | 146 | 119 Ų | 119 | 90% | 0.896 | 69% | 0.688 | S | S | * | * | trans | 174.5 | 104.2 | 154.5 | 26.9 | 0 | 0 | 0 | 0 | 106.7 | A4 | T2-A4 PolarHBondContact O-N 2.85Š| ||
| 3 | V | 52 | Low | 63.2 | Low | 141 Ų | 141 | 121.1 Ų | 121.1 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | trans | -77.9 | 114.5 | -178.9 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | A | 50.2 | Low | 64.9 | Low | 85 Ų | 85 | 115.7 Ų | 115.7 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | trans | -68.8 | 126.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T2 | T2-A4 PolarHBondContact O-N 2.85Š| ||
| 5 | V | 55.5 | Low | 66.5 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | trans | -76.7 | 126.3 | -174.6 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | G7 E8 | V5-G7 PolarHBondContact O-N 3.42Å; V5-E8 HydrophobicContact CB-CG 4.39Å; V5-E8 PolarHBondContact O-N 3.38Å; V5-E8 VanDerWaalsContact O-N 3.12Å | ||
| 6 | P | 58.1 | Low | 67.9 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 81% | 0.805 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -11.5 | -174.6 | -20.9 | 30.8 | 0 | 0 | 0 | 115.5 | ||
| 7 | G | 61.8 | Low | 69.2 | Low | 43 Ų | 43 | 111.9 Ų | 111.9 | 44% | 0.443 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -14.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V5 S9 R11 | V5-G7 PolarHBondContact O-N 3.42Å; G7-S9 VanDerWaalsContact C-N 3.34Å; G7-S9 PolarHBondContact O-N 3.28Å; G7-R11 PolarHBondContact O-N 3.1Å |
| 8 | E | 61.1 | Low | 70.5 | Confident | 114 Ų | 114 | 114.2 Ų | 114.2 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.9 | -36.7 | -178.9 | -73.4 | 180 | 149.2 | 0 | 0 | 111.6 | V5 R11 E12 | V5-E8 HydrophobicContact CB-CG 4.39Å; V5-E8 PolarHBondContact O-N 3.38Å; V5-E8 VanDerWaalsContact O-N 3.12Å; E8-R11 PolarHBondContact O-N 3.04Å; E8-E12 WeakPolarHBondContact O-CB 3.28Å; E8-E12 VanDerWaalsContact O-CG 3.3Å; E8-E12 WeakPolarHBondContact O-CG 3.32Å; E8-E12 PolarHBondContact O-N 3.12Å |
| 9 | S | 69.9 | Low | 71.6 | Confident | 64 Ų | 64 | 117.2 Ų | 117.2 | 45% | 0.448 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.1 | -41.5 | 178.4 | 165.5 | 0 | 0 | 0 | 0 | 114.1 | G7 K13 | G7-S9 VanDerWaalsContact C-N 3.34Å; G7-S9 PolarHBondContact O-N 3.28Å; S9-K13 WeakPolarHBondContact O-CG 3.38Å; S9-K13 PolarHBondContact O-N 3.25Å |
| 10 | A | 78.5 | Confident | 72.5 | Confident | 64 Ų | 64 | 119.9 Ų | 119.9 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.4 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K13 A14 | A10-K13 PolarHBondContact O-N 3.05Å; A10-A14 PolarHBondContact O-N 3.46Å |
| 11 | R | 83.5 | Confident | 73.5 | Confident | 184 Ų | 184 | 118.7 Ų | 118.7 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.1 | -43 | 174.4 | -174.3 | -179.2 | 177.2 | -167.9 | -0.3 | 111.2 | G7 E8 A14 L15 | G7-R11 PolarHBondContact O-N 3.1Å; E8-R11 PolarHBondContact O-N 3.04Å; R11-A14 PolarHBondContact O-N 3.14Å; R11-L15 HydrophobicContact CG-CD1 3.91Å; R11-L15 HydrophobicContact CG-CG 4.39Å; R11-L15 VanDerWaalsContact O-CB 3.29Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.37Å |
| 12 | E | 84.6 | Confident | 76.1 | Confident | 134 Ų | 134 | 112.5 Ų | 112.5 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.4 | -41 | 175.9 | -77.6 | 179.5 | 168.1 | 0 | 0 | 112.8 | E8 L15 S16 | E8-E12 WeakPolarHBondContact O-CB 3.28Å; E8-E12 VanDerWaalsContact O-CG 3.3Å; E8-E12 WeakPolarHBondContact O-CG 3.32Å; E8-E12 PolarHBondContact O-N 3.12Å; E12-L15 PolarHBondContact O-N 3.3Å; E12-S16 WeakPolarHBondContact O-CB 3.44Å; E12-S16 PolarHBondContact O-N 2.79Å; E12-S16 PolarHBondContact O-OG 3.13Å |
| 13 | K | 84.5 | Confident | 78.5 | Confident | 146 Ų | 146 | 110.2 Ų | 110.2 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.7 | -45.6 | 174.6 | -75.6 | 179 | -177.3 | 179.1 | 0 | 112.3 | S9 A10 S16 Y17 | S9-K13 WeakPolarHBondContact O-CG 3.38Å; S9-K13 PolarHBondContact O-N 3.25Å; A10-K13 PolarHBondContact O-N 3.05Å; K13-S16 PolarHBondContact O-N 3.42Å; K13-S16 PolarHBondContact O-OG 3.4Å; K13-Y17 PolarHBondContact O-N 3.5Å; K13-Y17 VanDerWaalsContact O-N 3.08Å |
| 14 | A | 87.3 | Confident | 80.4 | Confident | 46 Ų | 46 | 107 Ų | 107 | 38% | 0.38 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.4 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A10 R11 S16 Y17 Y18 | A10-A14 PolarHBondContact O-N 3.46Å; R11-A14 PolarHBondContact O-N 3.14Å; A14-S16 VanDerWaalsContact C-N 3.34Å; A14-S16 PolarHBondContact O-N 2.83Å; A14-Y17 PolarHBondContact O-N 2.99Å; A14-Y18 WeakPolarHBondContact O-CD2 3.27Å; A14-Y18 PolarHBondContact O-N 2.81Å |
| 15 | L | 89.5 | Confident | 82.5 | Confident | 76 Ų | 76 | 108.3 Ų | 108.3 | 40% | 0.398 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.2 | -74.6 | 172.9 | 0 | 0 | 0 | 112.2 | R11 E12 R19 | R11-L15 HydrophobicContact CG-CD1 3.91Å; R11-L15 HydrophobicContact CG-CG 4.39Å; R11-L15 VanDerWaalsContact O-CB 3.29Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.37Å; E12-L15 PolarHBondContact O-N 3.3Å; L15-R19 VanDerWaalsContact O-CB 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.12Å; L15-R19 WeakPolarHBondContact O-CG 3.47Å; L15-R19 PolarHBondContact O-N 3.44Å |
| 16 | S | 87.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 113.1 Ų | 113.1 | 48% | 0.483 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.8 | -38.3 | 175.9 | 64 | 0 | 0 | 0 | 0 | 112.5 | E12 K13 A14 R19 R20 | E12-S16 WeakPolarHBondContact O-CB 3.44Å; E12-S16 PolarHBondContact O-N 2.79Å; E12-S16 PolarHBondContact O-OG 3.13Å; K13-S16 PolarHBondContact O-N 3.42Å; K13-S16 PolarHBondContact O-OG 3.4Å; A14-S16 VanDerWaalsContact C-N 3.34Å; A14-S16 PolarHBondContact O-N 2.83Å; S16-R19 PolarHBondContact O-N 3.26Å; S16-R20 PolarHBondContact O-N 3.47Å |
| 17 | Y | 90.6 | Very high | 86 | Confident | 137 Ų | 137 | 109 Ų | 109 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 173 | -179.8 | -98.2 | 0 | 0 | 0 | 112.2 | K13 A14 R19 R20 K21 | K13-Y17 PolarHBondContact O-N 3.5Å; K13-Y17 VanDerWaalsContact O-N 3.08Å; A14-Y17 PolarHBondContact O-N 2.99Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 3.32Å; Y17-R20 PolarHBondContact O-N 3.33Å; Y17-K21 HydrophobicContact CE1-CG 4.1Å; Y17-K21 PolarHBondContact O-N 3.45Å |
| 18 | Y | 92.4 | Very high | 87.5 | Confident | 153 Ų | 153 | 112.2 Ų | 112.2 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -38.7 | 176.4 | -75.6 | -62.9 | 0 | 0 | 0 | 112.1 | A14 K21 L22 | A14-Y18 WeakPolarHBondContact O-CD2 3.27Å; A14-Y18 PolarHBondContact O-N 2.81Å; Y18-K21 PolarHBondContact O-N 3.45Å; Y18-L22 WeakPolarHBondContact O-CB 3.44Å; Y18-L22 VanDerWaalsContact O-CG 3.31Å; Y18-L22 WeakPolarHBondContact O-CG 3.45Å; Y18-L22 PolarHBondContact O-N 3.27Å |
| 19 | R | 90.9 | Very high | 89.1 | Confident | 172 Ų | 172 | 109.8 Ų | 109.8 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 172.8 | -79.6 | 175.2 | -179 | 176.7 | 1.6 | 111.5 | L15 S16 Y17 K21 L22 V23 | L15-R19 VanDerWaalsContact O-CB 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.12Å; L15-R19 WeakPolarHBondContact O-CG 3.47Å; L15-R19 PolarHBondContact O-N 3.44Å; S16-R19 PolarHBondContact O-N 3.26Å; Y17-R19 VanDerWaalsContact C-N 3.33Å; Y17-R19 PolarHBondContact O-N 3.32Å; R19-K21 PolarHBondContact O-N 3.34Å; R19-L22 PolarHBondContact O-N 3.04Å; R19-V23 VanDerWaalsContact O-CG2 3.29Å; R19-V23 WeakPolarHBondContact O-CG2 3.37Å; R19-V23 PolarHBondContact O-N 2.77Å |
| 20 | R | 91.4 | Very high | 90.2 | Very high | 170 Ų | 170 | 109.4 Ų | 109.4 | 64% | 0.642 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 175.9 | -178.4 | 177.9 | 165.1 | 170.9 | -0.2 | 111.8 | S16 Y17 V23 E24 | S16-R20 PolarHBondContact O-N 3.47Å; Y17-R20 PolarHBondContact O-N 3.33Å; R20-V23 PolarHBondContact O-N 3.08Å; R20-E24 IonicContact NE-OE1 3.3Å; R20-E24 PolarHBondContact NE-OE1 2.92Å; R20-E24 PolarHBondContact O-N 2.92Å |
| 21 | K | 92.3 | Very high | 91 | Very high | 96 Ų | 96 | 115.4 Ų | 115.4 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 176.4 | -78.7 | -73.1 | 168.8 | -157.8 | 0 | 113.1 | Y17 Y18 R19 E24 H25 | Y17-K21 HydrophobicContact CE1-CG 4.1Å; Y17-K21 PolarHBondContact O-N 3.45Å; Y18-K21 PolarHBondContact O-N 3.45Å; R19-K21 PolarHBondContact O-N 3.34Å; K21-E24 WeakPolarHBondContact CD-OE2 3.33Å; K21-E24 WeakPolarHBondContact CE-OE2 3.45Å; K21-E24 IonicContact NZ-OE2 2.74Å; K21-E24 PolarHBondContact NZ-OE2 3.46Å; K21-E24 PolarHBondContact O-N 3.24Å; K21-H25 PolarHBondContact O-N 3.39Å |
| 22 | L | 93.1 | Very high | 91.5 | Very high | 109 Ų | 109 | 110.4 Ų | 110.4 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.1 | -36.7 | 172.9 | -74.7 | 169.6 | 0 | 0 | 0 | 112.3 | Y18 R19 H25 R26 | Y18-L22 WeakPolarHBondContact O-CB 3.44Å; Y18-L22 VanDerWaalsContact O-CG 3.31Å; Y18-L22 WeakPolarHBondContact O-CG 3.45Å; Y18-L22 PolarHBondContact O-N 3.27Å; R19-L22 PolarHBondContact O-N 3.04Å; L22-H25 PolarHBondContact O-N 3.09Å; L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 WeakPolarHBondContact O-CG 3.32Å; L22-R26 PolarHBondContact O-N 3.16Å |
| 23 | V | 92.5 | Very high | 92 | Very high | 99 Ų | 99 | 110.8 Ų | 110.8 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 111 | R19 R20 R26 G27 | R19-V23 VanDerWaalsContact O-CG2 3.29Å; R19-V23 WeakPolarHBondContact O-CG2 3.37Å; R19-V23 PolarHBondContact O-N 2.77Å; R20-V23 PolarHBondContact O-N 3.08Å; V23-R26 PolarHBondContact O-N 2.69Å; V23-G27 PolarHBondContact O-N 2.97Å |
| 24 | E | 93 | Very high | 92.4 | Very high | 73 Ų | 73 | 108.4 Ų | 108.4 | 34% | 0.341 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 172.5 | -74.5 | 173.3 | -168 | 0 | 0 | 111.4 | R20 K21 R26 G27 I28 | R20-E24 IonicContact NE-OE1 3.3Å; R20-E24 PolarHBondContact NE-OE1 2.92Å; R20-E24 PolarHBondContact O-N 2.92Å; K21-E24 WeakPolarHBondContact CD-OE2 3.33Å; K21-E24 WeakPolarHBondContact CE-OE2 3.45Å; K21-E24 IonicContact NZ-OE2 2.74Å; K21-E24 PolarHBondContact NZ-OE2 3.46Å; K21-E24 PolarHBondContact O-N 3.24Å; E24-R26 PolarHBondContact O-N 3.48Å; E24-G27 PolarHBondContact O-N 3.45Å; E24-G27 VanDerWaalsContact O-N 3.17Å; E24-I28 WeakPolarHBondContact O-CG1 3.41Å; E24-I28 PolarHBondContact O-N 2.99Å |
| 25 | H | 94.3 | Very high | 92.8 | Very high | 112 Ų | 112 | 108.8 Ų | 108.8 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.4 | -169.1 | -71.2 | 0 | 0 | 0 | 112 | K21 L22 G27 I28 D29 | K21-H25 PolarHBondContact O-N 3.39Å; L22-H25 PolarHBondContact O-N 3.09Å; H25-G27 VanDerWaalsContact C-N 3.26Å; H25-G27 PolarHBondContact O-N 3.29Å; H25-I28 PolarHBondContact O-N 3.11Å; H25-D29 IonicContact CE1-OD1 3.57Å; H25-D29 IonicContact CE1-OD2 3.23Å; H25-D29 PolarHBondContact CE1-OD2 3.04Å; H25-D29 IonicContact ND1-OD1 3.87Å; H25-D29 IonicContact ND1-OD2 2.9Å; H25-D29 PolarHBondContact ND1-OD2 3.46Å; H25-D29 PolarHBondContact O-N 3.16Å |
| 26 | R | 93 | Very high | 93 | Very high | 191 Ų | 191 | 112.9 Ų | 112.9 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -36.2 | 175.4 | -75.9 | 179.7 | 179.5 | -173.8 | 0.1 | 112.4 | L22 V23 E24 A30 | L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 WeakPolarHBondContact O-CG 3.32Å; L22-R26 PolarHBondContact O-N 3.16Å; V23-R26 PolarHBondContact O-N 2.69Å; E24-R26 PolarHBondContact O-N 3.48Å; R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.2Å |
| 27 | G | 93.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 116 Ų | 116 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V23 E24 H25 R31 | V23-G27 PolarHBondContact O-N 2.97Å; E24-G27 PolarHBondContact O-N 3.45Å; E24-G27 VanDerWaalsContact O-N 3.17Å; H25-G27 VanDerWaalsContact C-N 3.26Å; H25-G27 PolarHBondContact O-N 3.29Å; G27-R31 WeakPolarHBondContact O-CG 3.35Å; G27-R31 PolarHBondContact O-N 2.76Å |
| 28 | I | 94.3 | Very high | 93.5 | Very high | 112 Ų | 112 | 115.3 Ų | 115.3 | 57% | 0.574 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68 | -43.9 | 175.4 | -65 | 169.6 | 0 | 0 | 0 | 110.7 | E24 H25 A30 R31 L32 | E24-I28 WeakPolarHBondContact O-CG1 3.41Å; E24-I28 PolarHBondContact O-N 2.99Å; H25-I28 PolarHBondContact O-N 3.11Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.44Å; I28-R31 PolarHBondContact O-N 2.99Å; I28-L32 WeakPolarHBondContact O-CB 3.38Å; I28-L32 PolarHBondContact O-N 3.22Å |
| 29 | D | 94.7 | Very high | 93.6 | Very high | 62 Ų | 62 | 111.7 Ų | 111.7 | 33% | 0.332 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.6 | -75.2 | -28.7 | 0 | 0 | 0 | 112.2 | H25 L32 K33 | H25-D29 IonicContact CE1-OD1 3.57Å; H25-D29 IonicContact CE1-OD2 3.23Å; H25-D29 PolarHBondContact CE1-OD2 3.04Å; H25-D29 IonicContact ND1-OD1 3.87Å; H25-D29 IonicContact ND1-OD2 2.9Å; H25-D29 PolarHBondContact ND1-OD2 3.46Å; H25-D29 PolarHBondContact O-N 3.16Å; D29-L32 PolarHBondContact O-N 2.99Å; D29-K33 WeakPolarHBondContact O-CG 3.41Å; D29-K33 PolarHBondContact O-N 3.26Å |
| 30 | A | 93.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 111 Ų | 111 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R26 I28 L32 K33 E34 | R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.2Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 3.44Å; A30-L32 VanDerWaalsContact C-N 3.33Å; A30-L32 PolarHBondContact O-N 2.97Å; A30-K33 PolarHBondContact O-N 2.76Å; A30-E34 PolarHBondContact O-N 3Å |
| 31 | R | 94 | Very high | 94 | Very high | 189 Ų | 189 | 105.3 Ų | 105.3 | 71% | 0.713 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 175.2 | -70.1 | 179.8 | -174.5 | 172.6 | 2.1 | 112.3 | G27 I28 K33 E34 A35 | G27-R31 WeakPolarHBondContact O-CG 3.35Å; G27-R31 PolarHBondContact O-N 2.76Å; I28-R31 PolarHBondContact O-N 2.99Å; R31-K33 VanDerWaalsContact C-N 3.35Å; R31-E34 PolarHBondContact O-N 3.27Å; R31-A35 VanDerWaalsContact O-CB 3.28Å; R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 3.43Å |
| 32 | L | 94.7 | Very high | 94.2 | Very high | 80 Ų | 80 | 106 Ų | 106 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.3 | -178.3 | 65.1 | 0 | 0 | 0 | 111.2 | I28 D29 A30 R36 | I28-L32 WeakPolarHBondContact O-CB 3.38Å; I28-L32 PolarHBondContact O-N 3.22Å; D29-L32 PolarHBondContact O-N 2.99Å; A30-L32 VanDerWaalsContact C-N 3.33Å; A30-L32 PolarHBondContact O-N 2.97Å; L32-R36 WeakPolarHBondContact O-CB 3.48Å; L32-R36 VanDerWaalsContact O-CG 3.29Å; L32-R36 WeakPolarHBondContact O-CG 3.43Å; L32-R36 PolarHBondContact O-N 3.08Å |
| 33 | K | 94.4 | Very high | 94.4 | Very high | 142 Ų | 142 | 103.5 Ų | 103.5 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -48.6 | 174.7 | -75.2 | 178.3 | -178.1 | -176.1 | 0 | 111.5 | D29 A30 R31 A35 R36 E37 | D29-K33 WeakPolarHBondContact O-CG 3.41Å; D29-K33 PolarHBondContact O-N 3.26Å; A30-K33 PolarHBondContact O-N 2.76Å; R31-K33 VanDerWaalsContact C-N 3.35Å; K33-A35 PolarHBondContact O-N 3.27Å; K33-R36 PolarHBondContact O-N 3.32Å; K33-E37 WeakPolarHBondContact O-CG 3.48Å; K33-E37 PolarHBondContact O-N 3.37Å |
| 34 | E | 94 | Very high | 94.5 | Very high | 96 Ų | 96 | 106.6 Ų | 106.6 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 178.1 | -166.6 | -168.3 | 154.2 | 0 | 0 | 112.1 | A30 R31 E37 K38 | A30-E34 PolarHBondContact O-N 3Å; R31-E34 PolarHBondContact O-N 3.27Å; E34-E37 PolarHBondContact O-N 3.14Å; E34-K38 HydrophobicContact CG-CD 4.46Å; E34-K38 WeakPolarHBondContact O-CG 3.4Å; E34-K38 PolarHBondContact O-N 3.14Å; E34-K38 WeakPolarHBondContact OE1-CE 3.43Å; E34-K38 IonicContact OE1-NZ 2.97Å; E34-K38 PolarHBondContact OE1-NZ 3.2Å |
| 35 | A | 94.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 109.7 Ų | 109.7 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R31 K33 S39 | R31-A35 VanDerWaalsContact O-CB 3.28Å; R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 3.43Å; K33-A35 PolarHBondContact O-N 3.27Å; A35-S39 VanDerWaalsContact O-CB 3.26Å; A35-S39 WeakPolarHBondContact O-CB 3.49Å; A35-S39 PolarHBondContact O-N 2.91Å |
| 36 | R | 94.9 | Very high | 94.8 | Very high | 162 Ų | 162 | 111.1 Ų | 111.1 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.6 | -39.3 | 173.7 | -78.4 | 178.1 | 174.9 | -171.6 | -0.2 | 111.8 | L32 K33 S39 K40 | L32-R36 WeakPolarHBondContact O-CB 3.48Å; L32-R36 VanDerWaalsContact O-CG 3.29Å; L32-R36 WeakPolarHBondContact O-CG 3.43Å; L32-R36 PolarHBondContact O-N 3.08Å; K33-R36 PolarHBondContact O-N 3.32Å; R36-S39 PolarHBondContact O-N 3.45Å; R36-K40 WeakPolarHBondContact O-CB 3.42Å; R36-K40 VanDerWaalsContact O-CG 3.3Å; R36-K40 WeakPolarHBondContact O-CG 3.46Å; R36-K40 PolarHBondContact O-N 3.49Å |
| 37 | E | 94 | Very high | 94.9 | Very high | 135 Ų | 135 | 105.7 Ų | 105.7 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -46.8 | 175.5 | -74.7 | 176 | 178.8 | 0 | 0 | 111.5 | K33 E34 S39 K40 A41 | K33-E37 WeakPolarHBondContact O-CG 3.48Å; K33-E37 PolarHBondContact O-N 3.37Å; E34-E37 PolarHBondContact O-N 3.14Å; E37-S39 PolarHBondContact O-N 3.41Å; E37-K40 PolarHBondContact O-N 3.32Å; E37-A41 PolarHBondContact O-N 3.27Å |
| 38 | K | 94.8 | Very high | 95 | Very high | 122 Ų | 122 | 110.7 Ų | 110.7 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 173.6 | -74.9 | 172.9 | 171.9 | 168.9 | 0 | 112 | E34 K40 A41 I42 | E34-K38 HydrophobicContact CG-CD 4.46Å; E34-K38 WeakPolarHBondContact O-CG 3.4Å; E34-K38 PolarHBondContact O-N 3.14Å; E34-K38 WeakPolarHBondContact OE1-CE 3.43Å; E34-K38 IonicContact OE1-NZ 2.97Å; E34-K38 PolarHBondContact OE1-NZ 3.2Å; K38-K40 PolarHBondContact O-N 3.4Å; K38-A41 PolarHBondContact O-N 3.14Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 2.95Å |
| 39 | S | 94.8 | Very high | 95.1 | Very high | 77 Ų | 77 | 107.7 Ų | 107.7 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 112.4 | A35 R36 E37 S43 | A35-S39 VanDerWaalsContact O-CB 3.26Å; A35-S39 WeakPolarHBondContact O-CB 3.49Å; A35-S39 PolarHBondContact O-N 2.91Å; R36-S39 PolarHBondContact O-N 3.45Å; E37-S39 PolarHBondContact O-N 3.41Å; S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.38Å |
| 40 | K | 95.5 | Very high | 95.2 | Very high | 157 Ų | 157 | 107.7 Ų | 107.7 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 173.5 | -75.9 | 176.8 | 178.3 | -173.9 | 0 | 112.2 | R36 E37 K38 S43 K44 | R36-K40 WeakPolarHBondContact O-CB 3.42Å; R36-K40 VanDerWaalsContact O-CG 3.3Å; R36-K40 WeakPolarHBondContact O-CG 3.46Å; R36-K40 PolarHBondContact O-N 3.49Å; E37-K40 PolarHBondContact O-N 3.32Å; K38-K40 PolarHBondContact O-N 3.4Å; K40-S43 PolarHBondContact O-N 3.43Å; K40-K44 WeakPolarHBondContact O-CB 3.38Å; K40-K44 PolarHBondContact O-N 3.03Å |
| 41 | A | 95.4 | Very high | 95.3 | Very high | 50 Ų | 50 | 109.6 Ų | 109.6 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E37 K38 S43 K44 E45 | E37-A41 PolarHBondContact O-N 3.27Å; K38-A41 PolarHBondContact O-N 3.14Å; A41-S43 PolarHBondContact O-N 2.83Å; A41-K44 PolarHBondContact O-N 3.45Å; A41-E45 PolarHBondContact O-N 3.48Å |
| 42 | I | 95.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 104.9 Ų | 104.9 | 57% | 0.569 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 176.7 | -67.1 | 167.3 | 0 | 0 | 0 | 111.1 | K38 K44 E45 Y46 | K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 2.95Å; I42-K44 VanDerWaalsContact C-N 3.3Å; I42-K44 PolarHBondContact O-N 3.19Å; I42-E45 PolarHBondContact O-N 3.24Å; I42-Y46 VanDerWaalsContact O-CB 3.32Å; I42-Y46 WeakPolarHBondContact O-CB 3.35Å; I42-Y46 PolarHBondContact O-N 3.03Å |
| 43 | S | 96.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 106.5 Ų | 106.5 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.6 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | S39 K40 A41 E45 Y46 D47 | S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.38Å; K40-S43 PolarHBondContact O-N 3.43Å; A41-S43 PolarHBondContact O-N 2.83Å; S43-E45 PolarHBondContact O-N 2.89Å; S43-Y46 PolarHBondContact O-N 2.89Å; S43-D47 WeakPolarHBondContact O-CB 3.41Å; S43-D47 PolarHBondContact O-N 3.26Å |
| 44 | K | 95.9 | Very high | 95.3 | Very high | 164 Ų | 164 | 104.9 Ų | 104.9 | 71% | 0.713 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 177.3 | -172.2 | -179.1 | 179.7 | -176.7 | 0 | 112.2 | K40 A41 I42 K48 | K40-K44 WeakPolarHBondContact O-CB 3.38Å; K40-K44 PolarHBondContact O-N 3.03Å; A41-K44 PolarHBondContact O-N 3.45Å; I42-K44 VanDerWaalsContact C-N 3.3Å; I42-K44 PolarHBondContact O-N 3.19Å; K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 PolarHBondContact O-N 2.99Å; K44-K48 VanDerWaalsContact O-N 3.1Å |
| 45 | E | 96 | Very high | 95.3 | Very high | 139 Ų | 139 | 103.1 Ų | 103.1 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.2 | -41.7 | 174.7 | -71.9 | 177.6 | -177.9 | 0 | 0 | 111.8 | A41 I42 S43 K48 A49 | A41-E45 PolarHBondContact O-N 3.48Å; I42-E45 PolarHBondContact O-N 3.24Å; S43-E45 PolarHBondContact O-N 2.89Å; E45-K48 PolarHBondContact O-N 2.69Å; E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 3.34Å |
| 46 | Y | 96.2 | Very high | 95.2 | Very high | 142 Ų | 142 | 107.5 Ų | 107.5 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.6 | -48.5 | 175 | 176.1 | -90.7 | 0 | 0 | 0 | 111.6 | I42 S43 K48 A49 E50 | I42-Y46 VanDerWaalsContact O-CB 3.32Å; I42-Y46 WeakPolarHBondContact O-CB 3.35Å; I42-Y46 PolarHBondContact O-N 3.03Å; S43-Y46 PolarHBondContact O-N 2.89Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.16Å; Y46-A49 PolarHBondContact O-N 3.31Å; Y46-A49 VanDerWaalsContact O-N 3.15Å; Y46-E50 WeakPolarHBondContact CE1-OE2 3.17Å; Y46-E50 WeakPolarHBondContact O-CB 3.45Å; Y46-E50 PolarHBondContact O-N 2.69Å; Y46-E50 PolarHBondContact OH-OE2 2.94Å |
| 47 | D | 96.2 | Very high | 95 | Very high | 77 Ų | 77 | 107.6 Ų | 107.6 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 178.5 | -67.4 | -26.9 | 0 | 0 | 0 | 111.4 | S43 N51 | S43-D47 WeakPolarHBondContact O-CB 3.41Å; S43-D47 PolarHBondContact O-N 3.26Å; D47-N51 WeakPolarHBondContact O-CB 3.42Å; D47-N51 PolarHBondContact O-N 3.01Å; D47-N51 PolarHBondContact O-ND2 3.25Å |
| 48 | K | 96.4 | Very high | 94.7 | Very high | 140 Ų | 140 | 105.6 Ų | 105.6 | 61% | 0.609 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -49.7 | 173.5 | -174.5 | -176 | 175.8 | -172.3 | 0 | 110.9 | K44 E45 Y46 E50 N51 D52 | K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 PolarHBondContact O-N 2.99Å; K44-K48 VanDerWaalsContact O-N 3.1Å; E45-K48 PolarHBondContact O-N 2.69Å; Y46-K48 VanDerWaalsContact C-N 3.28Å; Y46-K48 PolarHBondContact O-N 3.16Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.21Å; K48-N51 PolarHBondContact O-N 3.43Å; K48-D52 VanDerWaalsContact O-CG 3.28Å; K48-D52 PolarHBondContact O-N 2.71Å |
| 49 | A | 95.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 104.7 Ų | 104.7 | 41% | 0.413 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E45 Y46 D52 L53 | E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 3.34Å; Y46-A49 PolarHBondContact O-N 3.31Å; Y46-A49 VanDerWaalsContact O-N 3.15Å; A49-D52 PolarHBondContact O-N 3.24Å; A49-L53 WeakPolarHBondContact O-CG 3.26Å; A49-L53 PolarHBondContact O-N 2.83Å |
| 50 | E | 95.8 | Very high | 94.2 | Very high | 62 Ų | 62 | 103.1 Ų | 103.1 | 29% | 0.29 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.3 | -163.3 | -174.2 | 142 | 0 | 0 | 111.6 | Y46 K48 L53 K54 | Y46-E50 WeakPolarHBondContact CE1-OE2 3.17Å; Y46-E50 WeakPolarHBondContact O-CB 3.45Å; Y46-E50 PolarHBondContact O-N 2.69Å; Y46-E50 PolarHBondContact OH-OE2 2.94Å; K48-E50 VanDerWaalsContact C-N 3.31Å; K48-E50 PolarHBondContact O-N 3.21Å; E50-L53 PolarHBondContact O-N 2.92Å; E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 3.41Å; E50-K54 WeakPolarHBondContact OE1-CE 3.35Å; E50-K54 IonicContact OE1-NZ 3.2Å; E50-K54 PolarHBondContact OE1-NZ 3.47Å |
| 51 | N | 95.7 | Very high | 94.1 | Very high | 97 Ų | 97 | 98.7 Ų | 98.7 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 174.1 | -72.6 | -33.1 | 0 | 0 | 0 | 112.1 | D47 K48 L53 K54 A55 | D47-N51 WeakPolarHBondContact O-CB 3.42Å; D47-N51 PolarHBondContact O-N 3.01Å; D47-N51 PolarHBondContact O-ND2 3.25Å; K48-N51 PolarHBondContact O-N 3.43Å; N51-L53 VanDerWaalsContact C-N 3.35Å; N51-K54 PolarHBondContact O-N 3.44Å; N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.48Å |
| 52 | D | 95.4 | Very high | 94 | Very high | 89 Ų | 89 | 98.8 Ų | 98.8 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.8 | -66.2 | -21.8 | 0 | 0 | 0 | 110.7 | K48 A49 K54 A55 L56 | K48-D52 VanDerWaalsContact O-CG 3.28Å; K48-D52 PolarHBondContact O-N 2.71Å; A49-D52 PolarHBondContact O-N 3.24Å; D52-K54 PolarHBondContact O-N 3.32Å; D52-A55 PolarHBondContact O-N 3.08Å; D52-L56 WeakPolarHBondContact O-CG 3.41Å; D52-L56 PolarHBondContact O-N 3.07Å; D52-L56 VanDerWaalsContact O-N 3.11Å |
| 53 | L | 94.1 | Very high | 93.8 | Very high | 114 Ų | 114 | 95.4 Ų | 95.4 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 174.2 | -74 | 172.9 | 0 | 0 | 0 | 112.5 | A49 E50 N51 L56 | A49-L53 WeakPolarHBondContact O-CG 3.26Å; A49-L53 PolarHBondContact O-N 2.83Å; E50-L53 PolarHBondContact O-N 2.92Å; N51-L53 VanDerWaalsContact C-N 3.35Å; L53-L56 PolarHBondContact O-N 3.47Å |
| 54 | K | 94.7 | Very high | 93.7 | Very high | 108 Ų | 108 | 92.7 Ų | 92.7 | 47% | 0.47 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 174.9 | -73.4 | 170.9 | -174.5 | 163.4 | 0 | 111.8 | E50 N51 D52 L56 Q57 | E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 3.41Å; E50-K54 WeakPolarHBondContact OE1-CE 3.35Å; E50-K54 IonicContact OE1-NZ 3.2Å; E50-K54 PolarHBondContact OE1-NZ 3.47Å; N51-K54 PolarHBondContact O-N 3.44Å; D52-K54 PolarHBondContact O-N 3.32Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 2.85Å; K54-Q57 PolarHBondContact O-N 3.22Å |
| 55 | A | 93.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 88.1 Ų | 88.1 | 49% | 0.488 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N51 D52 Q57 S58 | N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.48Å; D52-A55 PolarHBondContact O-N 3.08Å; A55-Q57 PolarHBondContact O-N 3.21Å; A55-S58 WeakPolarHBondContact O-CB 3.49Å; A55-S58 PolarHBondContact O-N 2.93Å; A55-S58 PolarHBondContact O-OG 3.27Å |
| 56 | L | 92.2 | Very high | 93.4 | Very high | 146 Ų | 146 | 81.6 Ų | 81.6 | 76% | 0.764 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.2 | -22 | 177 | -70.9 | 172.3 | 0 | 0 | 0 | 114 | D52 L53 K54 S58 | D52-L56 WeakPolarHBondContact O-CG 3.41Å; D52-L56 PolarHBondContact O-N 3.07Å; D52-L56 VanDerWaalsContact O-N 3.11Å; L53-L56 PolarHBondContact O-N 3.47Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 2.85Å; L56-S58 VanDerWaalsContact C-N 3.29Å |
| 57 | Q | 90.5 | Very high | 93.2 | Very high | 164 Ų | 164 | 78.1 Ų | 78.1 | 77% | 0.766 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12.9 | 176 | -64.6 | -176.6 | -21.7 | 0 | 0 | 113.2 | K54 A55 V59 | K54-Q57 PolarHBondContact O-N 3.22Å; A55-Q57 PolarHBondContact O-N 3.21Å; Q57-V59 PolarHBondContact O-N 3.31Å |
| 58 | S | 87.9 | Confident | 93 | Very high | 94 Ų | 94 | 80.9 Ų | 80.9 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -74 | 126.5 | -179.5 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | A55 L56 | A55-S58 WeakPolarHBondContact O-CB 3.49Å; A55-S58 PolarHBondContact O-N 2.93Å; A55-S58 PolarHBondContact O-OG 3.27Å; L56-S58 VanDerWaalsContact C-N 3.29Å |
| 59 | V | 89.6 | Confident | 92.7 | Very high | 103 Ų | 103 | 77.8 Ų | 77.8 | 62% | 0.624 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -91.7 | 146.2 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | Q57 M108 | Q57-V59 PolarHBondContact O-N 3.31Å; V59-M108 HydrophobicContact CB-CE 3.93Å |
| 60 | G | 90.2 | Very high | 92.5 | Very high | 44 Ų | 44 | 80.5 Ų | 80.5 | 45% | 0.454 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 158.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M108 | G60-M108 VanDerWaalsContact O-CE 3.25Å; G60-M108 WeakPolarHBondContact O-CE 3.44Å; G60-M108 WeakPolarHBondContact O-CG 3.43Å |
| 61 | Q | 92.5 | Very high | 92.1 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.1 | 174.1 | -63.3 | -177.8 | -19.7 | 0 | 0 | 108.4 | A105 L106 | Q61-A105 HydrophobicContact CB-CB 4Å; Q61-A105 VanDerWaalsContact OE1-CB 3.26Å; Q61-L106 CarbonylContact C-O 3.54Å; Q61-L106 WeakPolarHBondContact CA-O 3.28Å; Q61-L106 WeakPolarHBondContact CB-O 3.47Å |
| 62 | I | 92.8 | Very high | 91.6 | Very high | 52 Ų | 52 | 82.3 Ų | 82.3 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 132.8 | 176.5 | -60.3 | 174.2 | 0 | 0 | 0 | 108 | A79 A105 L106 M108 L111 | I62-A79 HydrophobicContact CG2-CB 4.24Å; I62-A105 CarbonylContact O-C 3.59Å; I62-A105 WeakPolarHBondContact O-CA 3.4Å; I62-L106 HydrophobicContact CB-CB 4.25Å; I62-L106 PolarHBondContact N-O 2.91Å; I62-L106 PolarHBondContact O-N 3.25Å; I62-M108 HydrophobicContact CD1-CG 4.25Å; I62-M108 HydrophobicContact CG1-CG 3.81Å; I62-L111 HydrophobicContact CD1-CD2 4Å |
| 63 | V | 93.5 | Very high | 91.1 | Very high | 40 Ų | 40 | 82.3 Ų | 82.3 | 24% | 0.242 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | S80 R103 L117 | V63-S80 PolarHBondContact O-N 3.33Å; V63-S80 PolarHBondContact O-OG 2.98Å; V63-S80 VanDerWaalsContact O-OG 3.07Å; V63-R103 HydrophobicContact CG1-CG 3.89Å; V63-L117 HydrophobicContact CG1-CD1 4.17Å; V63-L117 HydrophobicContact CG2-CD1 4.13Å |
| 64 | G | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 172 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K78 R103 V104 | G64-K78 CarbonylContact C-O 3.5Å; G64-K78 WeakPolarHBondContact CA-O 3.29Å; G64-R103 CarbonylContact O-C 3.6Å; G64-R103 WeakPolarHBondContact O-CA 3.15Å; G64-V104 PolarHBondContact N-O 3.38Å; G64-V104 WeakPolarHBondContact O-CG2 3.37Å; G64-V104 PolarHBondContact O-N 2.94Å |
| 65 | D | 92.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 76 Ų | 76 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.2 | 179.1 | -59.4 | -45.6 | 0 | 0 | 0 | 110.5 | L67 V77 K78 | D65-L67 PolarHBondContact O-N 3.48Å; D65-V77 CarbonylContact O-C 3.59Å; D65-V77 VanDerWaalsContact O-CA 3.29Å; D65-V77 WeakPolarHBondContact O-CA 3.33Å; D65-K78 PolarHBondContact N-O 3.49Å; D65-K78 PolarHBondContact O-N 3.24Å |
| 66 | V | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 117.5 | 173 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | F75 V77 P100 G101 T102 V104 | V66-F75 HydrophobicContact CG1-CD1 4.04Å; V66-V77 HydrophobicContact CG2-CG1 4.22Å; V66-P100 CarbonylContact O-C 3.58Å; V66-P100 WeakPolarHBondContact O-CA 3.39Å; V66-G101 PolarHBondContact O-N 2.85Å; V66-T102 PolarHBondContact N-O 2.91Å; V66-V104 HydrophobicContact CG2-CB 4.39Å; V66-V104 HydrophobicContact CG2-CG1 3.57Å; V66-V104 HydrophobicContact CG2-CG2 3.87Å |
| 67 | L | 91.9 | Very high | 91 | Very high | 70 Ų | 70 | 68.5 Ų | 68.5 | 37% | 0.366 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -50.7 | 175.5 | -70.2 | 177 | 0 | 0 | 0 | 111.2 | D65 I76 K78 R84 P100 | D65-L67 PolarHBondContact O-N 3.48Å; L67-I76 HydrophobicContact CB-CB 4.47Å; L67-I76 HydrophobicContact CB-CG2 4.24Å; L67-I76 HydrophobicContact CD1-CG2 4.08Å; L67-I76 PolarHBondContact N-O 3.4Å; L67-K78 HydrophobicContact CD1-CB 3.99Å; L67-K78 HydrophobicContact CD2-CB 4.44Å; L67-K78 HydrophobicContact CG-CB 4.09Å; L67-R84 HydrophobicContact CD1-CG 4.03Å; L67-P100 WeakPolarHBondContact O-CB 2.92Å |
| 68 | K | 92.5 | Very high | 91.2 | Very high | 135 Ų | 135 | 64.8 Ų | 64.8 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 143.6 | -175.4 | -170.2 | 178.5 | 175.6 | -179.3 | 0 | 110.5 | I76 | K68-I76 PolarHBondContact N-O 2.94Å; K68-I76 PolarHBondContact O-N 3.03Å |
| 69 | Q | 91 | Very high | 91.3 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.3 | 167 | -172.3 | 174.2 | 16.2 | 0 | 0 | 109.8 | T71 D72 F75 | Q69-T71 WeakPolarHBondContact CG-O 3.43Å; Q69-T71 PolarHBondContact NE2-O 3.24Å; Q69-D72 PolarHBondContact NE2-O 3.49Å; Q69-F75 HydrophobicContact CB-CD1 3.85Å; Q69-F75 HydrophobicContact CB-CE1 3.72Å; Q69-F75 HydrophobicContact CG-CD1 3.88Å; Q69-F75 HydrophobicContact CG-CE1 3.48Å; Q69-F75 VanDerWaalsContact CG-CE1 3.48Å; Q69-F75 HydrophobicContact CG-CZ 3.87Å |
| 70 | L | 90.1 | Very high | 91.2 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 56% | 0.555 | 32% | 0.319 | S | S | * | . | trans | -94.7 | -48.9 | 179.7 | -175.3 | 65 | 0 | 0 | 0 | 111.1 | H74 V86 | L70-H74 PolarHBondContact N-O 3.11Å; L70-V86 HydrophobicContact CD2-CG1 4.44Å | ||
| 71 | T | 88.5 | Confident | 90.9 | Very high | 66 Ų | 66 | 64.4 Ų | 64.4 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -136.7 | 177.4 | 173.8 | 67.9 | 0 | 0 | 0 | 0 | 109 | Q69 D73 H74 | Q69-T71 WeakPolarHBondContact CG-O 3.43Å; Q69-T71 PolarHBondContact NE2-O 3.24Å; T71-D73 PolarHBondContact O-N 3.03Å; T71-H74 PolarHBondContact N-O 3.4Å; T71-H74 VanDerWaalsContact N-O 3.17Å; T71-H74 PolarHBondContact O-N 2.81Å; T71-H74 VanDerWaalsContact O-O 3.12Å; T71-H74 WeakPolarHBondContact OG1-CB 2.83Å; T71-H74 PolarHBondContact OG1-N 3.42Å; T71-H74 PolarHBondContact OG1-ND1 3.37Å |
| 72 | D | 83.8 | Confident | 90.6 | Very high | 132 Ų | 132 | 63.2 Ų | 63.2 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -54 | -39.7 | 179.2 | -65.1 | -22.6 | 0 | 0 | 0 | 112.8 | Q69 | Q69-D72 PolarHBondContact NE2-O 3.49Š|
| 73 | D | 85.9 | Confident | 90.6 | Very high | 89 Ų | 89 | 63.2 Ų | 63.2 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -99.2 | -12.1 | -179 | -70.4 | -28.5 | 0 | 0 | 0 | 115.6 | T71 G88 C89 | T71-D73 PolarHBondContact O-N 3.03Å; D73-G88 WeakPolarHBondContact O-CA 3.04Å; D73-C89 PolarHBondContact O-N 3.34Å |
| 74 | H | 90.6 | Very high | 90.6 | Very high | 89 Ų | 89 | 70 Ų | 70 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.1 | -171.8 | -60.5 | 89.4 | 0 | 0 | 0 | 112 | L70 T71 V86 V87 | L70-H74 PolarHBondContact N-O 3.11Å; T71-H74 PolarHBondContact N-O 3.4Å; T71-H74 VanDerWaalsContact N-O 3.17Å; T71-H74 PolarHBondContact O-N 2.81Å; T71-H74 VanDerWaalsContact O-O 3.12Å; T71-H74 WeakPolarHBondContact OG1-CB 2.83Å; T71-H74 PolarHBondContact OG1-N 3.42Å; T71-H74 PolarHBondContact OG1-ND1 3.37Å; H74-V86 HydrophobicContact CB-CG1 4.24Å; H74-V87 WeakPolarHBondContact CA-O 3.27Å |
| 75 | F | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.5 | -179.5 | -64.9 | -96.4 | 0 | 0 | 0 | 110.1 | V66 Q69 V77 V86 V87 C89 L98 I113 | V66-F75 HydrophobicContact CG1-CD1 4.04Å; Q69-F75 HydrophobicContact CB-CD1 3.85Å; Q69-F75 HydrophobicContact CB-CE1 3.72Å; Q69-F75 HydrophobicContact CG-CD1 3.88Å; Q69-F75 HydrophobicContact CG-CE1 3.48Å; Q69-F75 VanDerWaalsContact CG-CE1 3.48Å; Q69-F75 HydrophobicContact CG-CZ 3.87Å; F75-V77 HydrophobicContact CB-CG1 4.5Å; F75-V86 CarbonylContact O-C 3.6Å; F75-V86 WeakPolarHBondContact O-CA 3.47Å; F75-V87 HydrophobicContact CB-CG2 4.25Å; F75-V87 PolarHBondContact N-O 3.48Å; F75-V87 WeakPolarHBondContact O-CG2 3.36Å; F75-V87 PolarHBondContact O-N 2.98Å; F75-C89 HydrophobicContact CD2-CB 4.11Å; F75-C89 HydrophobicContact CE2-CB 3.88Å; F75-L98 HydrophobicContact CD1-CB 4.3Å; F75-L98 HydrophobicContact CD2-CD1 4.49Å; F75-L98 HydrophobicContact CE1-CB 3.72Å; F75-L98 HydrophobicContact CE1-CD1 4.06Å; F75-L98 HydrophobicContact CE2-CD1 4.08Å; F75-L98 HydrophobicContact CZ-CB 4.2Å; F75-L98 HydrophobicContact CZ-CD1 3.84Å; F75-I113 HydrophobicContact CB-CD1 3.84Å; F75-I113 HydrophobicContact CD2-CD1 4.01Å; F75-I113 HydrophobicContact CG-CD1 3.96Å |
| 76 | I | 94.6 | Very high | 90.7 | Very high | 47 Ų | 47 | 75.1 Ų | 75.1 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.2 | 167.8 | -56.1 | 179.8 | 0 | 0 | 0 | 107 | L67 K68 Y85 V86 | L67-I76 HydrophobicContact CB-CB 4.47Å; L67-I76 HydrophobicContact CB-CG2 4.24Å; L67-I76 HydrophobicContact CD1-CG2 4.08Å; L67-I76 PolarHBondContact N-O 3.4Å; K68-I76 PolarHBondContact N-O 2.94Å; K68-I76 PolarHBondContact O-N 3.03Å; I76-Y85 WeakPolarHBondContact CA-O 3.41Å; I76-V86 HydrophobicContact CG1-CG2 4.44Å |
| 77 | V | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.1 | 177.2 | -63 | 0 | 0 | 0 | 0 | 110.4 | D65 V66 F75 R84 Y85 V87 V104 L106 I113 | D65-V77 CarbonylContact O-C 3.59Å; D65-V77 VanDerWaalsContact O-CA 3.29Å; D65-V77 WeakPolarHBondContact O-CA 3.33Å; V66-V77 HydrophobicContact CG2-CG1 4.22Å; F75-V77 HydrophobicContact CB-CG1 4.5Å; V77-R84 CarbonylContact O-C 3.45Å; V77-R84 VanDerWaalsContact O-CA 3.3Å; V77-R84 WeakPolarHBondContact O-CA 3.41Å; V77-Y85 PolarHBondContact N-O 3.18Å; V77-Y85 PolarHBondContact O-N 3.33Å; V77-V87 HydrophobicContact CB-CG2 4.08Å; V77-V87 HydrophobicContact CG1-CG2 3.46Å; V77-V87 VanDerWaalsContact CG1-CG2 3.46Å; V77-V87 HydrophobicContact CG2-CB 4.13Å; V77-V87 HydrophobicContact CG2-CG1 3.47Å; V77-V87 VanDerWaalsContact CG2-CG1 3.47Å; V77-V87 HydrophobicContact CG2-CG2 3.48Å; V77-V87 VanDerWaalsContact CG2-CG2 3.48Å; V77-V104 HydrophobicContact CG1-CG2 4.11Å; V77-L106 HydrophobicContact CB-CD1 4.37Å; V77-L106 HydrophobicContact CG1-CD2 4.44Å; V77-L106 HydrophobicContact CG2-CD1 3.67Å; V77-L106 HydrophobicContact CG2-CD2 4.12Å; V77-I113 HydrophobicContact CG1-CD1 4.09Å; V77-I113 HydrophobicContact CG1-CG1 4.41Å |
| 78 | K | 94.2 | Very high | 90.8 | Very high | 86 Ų | 86 | 73.2 Ų | 73.2 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.3 | 170.1 | -175.4 | -174.8 | 173.2 | -166.5 | 0 | 108 | G64 D65 L67 R84 | G64-K78 CarbonylContact C-O 3.5Å; G64-K78 WeakPolarHBondContact CA-O 3.29Å; D65-K78 PolarHBondContact N-O 3.49Å; D65-K78 PolarHBondContact O-N 3.24Å; L67-K78 HydrophobicContact CD1-CB 3.99Å; L67-K78 HydrophobicContact CD2-CB 4.44Å; L67-K78 HydrophobicContact CG-CB 4.09Å; K78-R84 HydrophobicContact CB-CG 4.38Å; K78-R84 HydrophobicContact CG-CG 4.31Å |
| 79 | A | 91.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 153.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I62 N81 G82 P83 Y85 | I62-A79 HydrophobicContact CG2-CB 4.24Å; A79-N81 PolarHBondContact O-N 3.08Å; A79-G82 PolarHBondContact O-N 2.83Å; A79-P83 HydrophobicContact CB-CG 4.46Å; A79-P83 PolarHBondContact N-O 3.09Å; A79-Y85 HydrophobicContact CB-CD2 4.35Å; A79-Y85 HydrophobicContact CB-CE2 3.92Å |
| 80 | S | 86.1 | Confident | 90.4 | Very high | 80 Ų | 80 | 71 Ų | 71 | 56% | 0.559 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.7 | 175.1 | -60.4 | 0 | 0 | 0 | 0 | 113 | V63 G82 | V63-S80 PolarHBondContact O-N 3.33Å; V63-S80 PolarHBondContact O-OG 2.98Å; V63-S80 VanDerWaalsContact O-OG 3.07Å; S80-G82 PolarHBondContact O-N 3.16Å |
| 81 | N | 84 | Confident | 90.2 | Very high | 149 Ų | 149 | 77 Ų | 77 | 80% | 0.797 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5.8 | 178 | -61.1 | 3.2 | 0 | 0 | 0 | 113.9 | A79 P83 | A79-N81 PolarHBondContact O-N 3.08Å; N81-P83 VanDerWaalsContact O-CD 3.3Å; N81-P83 WeakPolarHBondContact O-CD 3.25Å |
| 82 | G | 86.2 | Confident | 90 | Very high | 37 Ų | 37 | 77.9 Ų | 77.9 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 108.3 | -39.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | A79 S80 | A79-G82 PolarHBondContact O-N 2.83Å; S80-G82 PolarHBondContact O-N 3.16Å |
| 83 | P | 92.7 | Very high | 90 | Very high | 53 Ų | 53 | 73.4 Ų | 73.4 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | trans | -68.8 | 153.3 | -175.6 | 26.1 | -31.7 | 0 | 0 | 0 | 112.2 | A79 N81 Y85 | A79-P83 HydrophobicContact CB-CG 4.46Å; A79-P83 PolarHBondContact N-O 3.09Å; N81-P83 VanDerWaalsContact O-CD 3.3Å; N81-P83 WeakPolarHBondContact O-CD 3.25Å; P83-Y85 HydrophobicContact CB-CE2 4.01Å; P83-Y85 HydrophobicContact CG-CE2 3.76Å; P83-Y85 VanDerWaalsContact CG-OH 3.25Å; P83-Y85 WeakPolarHBondContact CG-OH 3.11Å | ||
| 84 | R | 94.7 | Very high | 89.8 | Confident | 181 Ų | 181 | 74.7 Ų | 74.7 | 68% | 0.683 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.6 | -179.9 | -59.7 | 176.7 | -174.8 | 169.7 | 0.3 | 109.4 | L67 V77 K78 | L67-R84 HydrophobicContact CD1-CG 4.03Å; V77-R84 CarbonylContact O-C 3.45Å; V77-R84 VanDerWaalsContact O-CA 3.3Å; V77-R84 WeakPolarHBondContact O-CA 3.41Å; K78-R84 HydrophobicContact CB-CG 4.38Å; K78-R84 HydrophobicContact CG-CG 4.31Å |
| 85 | Y | 93.4 | Very high | 89.3 | Confident | 86 Ų | 86 | 73 Ų | 73 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.3 | -178.8 | -58.2 | -75.1 | 0 | 0 | 0 | 110.2 | I76 V77 A79 P83 L111 | I76-Y85 WeakPolarHBondContact CA-O 3.41Å; V77-Y85 PolarHBondContact N-O 3.18Å; V77-Y85 PolarHBondContact O-N 3.33Å; A79-Y85 HydrophobicContact CB-CD2 4.35Å; A79-Y85 HydrophobicContact CB-CE2 3.92Å; P83-Y85 HydrophobicContact CB-CE2 4.01Å; P83-Y85 HydrophobicContact CG-CE2 3.76Å; P83-Y85 VanDerWaalsContact CG-OH 3.25Å; P83-Y85 WeakPolarHBondContact CG-OH 3.11Å; Y85-L111 HydrophobicContact CD1-CD1 3.79Å; Y85-L111 HydrophobicContact CD2-CD1 4.45Å; Y85-L111 HydrophobicContact CE1-CD1 3.96Å; Y85-L111 HydrophobicContact CG-CD1 4.04Å |
| 86 | V | 93.9 | Very high | 88.9 | Confident | 91 Ų | 91 | 77.3 Ų | 77.3 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.4 | 163.7 | -177.9 | 0 | 0 | 0 | 0 | 106.5 | L70 H74 F75 I76 | L70-V86 HydrophobicContact CD2-CG1 4.44Å; H74-V86 HydrophobicContact CB-CG1 4.24Å; F75-V86 CarbonylContact O-C 3.6Å; F75-V86 WeakPolarHBondContact O-CA 3.47Å; I76-V86 HydrophobicContact CG1-CG2 4.44Å |
| 87 | V | 93.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.024 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.6 | -169.2 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | H74 F75 V77 L106 L111 I113 | H74-V87 WeakPolarHBondContact CA-O 3.27Å; F75-V87 HydrophobicContact CB-CG2 4.25Å; F75-V87 PolarHBondContact N-O 3.48Å; F75-V87 WeakPolarHBondContact O-CG2 3.36Å; F75-V87 PolarHBondContact O-N 2.98Å; V77-V87 HydrophobicContact CB-CG2 4.08Å; V77-V87 HydrophobicContact CG1-CG2 3.46Å; V77-V87 VanDerWaalsContact CG1-CG2 3.46Å; V77-V87 HydrophobicContact CG2-CB 4.13Å; V77-V87 HydrophobicContact CG2-CG1 3.47Å; V77-V87 VanDerWaalsContact CG2-CG1 3.47Å; V77-V87 HydrophobicContact CG2-CG2 3.48Å; V77-V87 VanDerWaalsContact CG2-CG2 3.48Å; V87-L106 HydrophobicContact CG1-CD2 4.43Å; V87-L106 HydrophobicContact CG2-CD2 4.2Å; V87-L111 WeakPolarHBondContact CB-O 3.5Å; V87-L111 HydrophobicContact CG1-CB 4.11Å; V87-L111 WeakPolarHBondContact CG1-O 3.36Å; V87-I113 HydrophobicContact CG2-CD1 3.84Å; V87-I113 HydrophobicContact CG2-CG1 3.75Å |
| 88 | G | 92 | Very high | 88.2 | Confident | 26 Ų | 26 | 80.2 Ų | 80.2 | 27% | 0.268 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 155.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D73 T112 I113 | D73-G88 WeakPolarHBondContact O-CA 3.04Å; G88-T112 WeakPolarHBondContact O-CA 3.25Å; G88-I113 PolarHBondContact O-N 3.44Å |
| 89 | C | 89 | Confident | 87.8 | Confident | 21 Ų | 21 | 82.9 Ų | 82.9 | 14% | 0.142 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 147.6 | 169.9 | 65 | 0 | 0 | 0 | 0 | 112.6 | D73 F75 R91 L98 I113 | D73-C89 PolarHBondContact O-N 3.34Å; F75-C89 HydrophobicContact CD2-CB 4.11Å; F75-C89 HydrophobicContact CE2-CB 3.88Å; C89-R91 PolarHBondContact O-N 3.5Å; C89-L98 HydrophobicContact CB-CD1 4.49Å; C89-I113 HydrophobicContact CB-CB 4.33Å |
| 90 | R | 88.1 | Confident | 87.7 | Confident | 144 Ų | 144 | 87.2 Ų | 87.2 | 54% | 0.543 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -64 | 125.6 | 167.8 | -170.1 | 179.9 | 178.9 | 179.8 | 0.6 | 109.4 | S92 L93 I113 | R90-S92 WeakPolarHBondContact CD-OG 3.49Å; R90-S92 WeakPolarHBondContact CG-OG 3.31Å; R90-S92 PolarHBondContact NE-OG 3.2Å; R90-S92 PolarHBondContact O-N 3.03Å; R90-L93 HydrophobicContact CB-CD1 4.11Å; R90-L93 HydrophobicContact CB-CG 4.41Å; R90-L93 WeakPolarHBondContact O-CB 3.45Å; R90-L93 PolarHBondContact O-N 2.95Å; R90-I113 WeakPolarHBondContact CB-O 3.33Å; R90-I113 PolarHBondContact N-O 3.18Å; R90-I113 VanDerWaalsContact N-O 3.09Å |
| 91 | R | 84.8 | Confident | 87.7 | Confident | 231 Ų | 231 | 86.3 Ų | 86.3 | 87% | 0.872 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -20.3 | -177 | -66.4 | -176.9 | 178.7 | 174.7 | 0.1 | 115.4 | C89 L93 | C89-R91 PolarHBondContact O-N 3.5Å; R91-L93 VanDerWaalsContact C-N 3.29Å |
| 92 | S | 85.5 | Confident | 87.9 | Confident | 85 Ų | 85 | 81 Ų | 81 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -12.4 | 176.5 | 61 | 0 | 0 | 0 | 0 | 113.7 | R90 | R90-S92 WeakPolarHBondContact CD-OG 3.49Å; R90-S92 WeakPolarHBondContact CG-OG 3.31Å; R90-S92 PolarHBondContact NE-OG 3.2Å; R90-S92 PolarHBondContact O-N 3.03Å |
| 93 | L | 82.4 | Confident | 88.2 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 20% | 0.199 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -83.1 | 140.5 | 177.4 | -70.2 | 166.9 | 0 | 0 | 0 | 110.6 | R90 R91 S95 I113 | R90-L93 HydrophobicContact CB-CD1 4.11Å; R90-L93 HydrophobicContact CB-CG 4.41Å; R90-L93 WeakPolarHBondContact O-CB 3.45Å; R90-L93 PolarHBondContact O-N 2.95Å; R91-L93 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.36Å; L93-S95 VanDerWaalsContact O-N 3.16Å; L93-I113 HydrophobicContact CD1-CB 4.46Å; L93-I113 HydrophobicContact CD1-CG2 3.75Å; L93-I113 WeakPolarHBondContact CD1-O 3.25Å |
| 94 | Q | 82.3 | Confident | 88.2 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | trans | -74.8 | 103.5 | 173 | -68.6 | 173.3 | -10.9 | 0 | 0 | 108.9 | S96 K97 | Q94-S96 PolarHBondContact O-N 3.44Å; Q94-S96 VanDerWaalsContact O-N 3.15Å; Q94-K97 HydrophobicContact CB-CD 4.3Å; Q94-K97 HydrophobicContact CB-CG 4.37Å; Q94-K97 PolarHBondContact O-N 3.44Å; Q94-K97 VanDerWaalsContact O-N 3.09Å | ||
| 95 | S | 80.8 | Confident | 88.2 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -56.3 | -28.3 | 179 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | L93 K97 L98 | L93-S95 PolarHBondContact O-N 3.36Å; L93-S95 VanDerWaalsContact O-N 3.16Å; S95-K97 PolarHBondContact O-N 3.38Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact O-N 3.14Å |
| 96 | S | 83.9 | Confident | 88.1 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -63.1 | -22.8 | 177.1 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | Q94 | Q94-S96 PolarHBondContact O-N 3.44Å; Q94-S96 VanDerWaalsContact O-N 3.15Å |
| 97 | K | 86.7 | Confident | 88.1 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -84.7 | -18.4 | 177.6 | -69.5 | 179.6 | 170.8 | 163.5 | 0 | 112.9 | Q94 S95 K99 Q116 | Q94-K97 HydrophobicContact CB-CD 4.3Å; Q94-K97 HydrophobicContact CB-CG 4.37Å; Q94-K97 PolarHBondContact O-N 3.44Å; Q94-K97 VanDerWaalsContact O-N 3.09Å; S95-K97 PolarHBondContact O-N 3.38Å; K97-K99 VanDerWaalsContact C-N 3.3Å; K97-K99 PolarHBondContact O-N 2.99Å; K97-Q116 VanDerWaalsContact CB-OE1 3.23Å |
| 98 | L | 86.7 | Confident | 87.9 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | trans | -82.8 | 73 | -178.2 | -61.3 | 179.6 | 0 | 0 | 0 | 110.8 | F75 C89 S95 V104 I113 Q116 | F75-L98 HydrophobicContact CD1-CB 4.3Å; F75-L98 HydrophobicContact CD2-CD1 4.49Å; F75-L98 HydrophobicContact CE1-CB 3.72Å; F75-L98 HydrophobicContact CE1-CD1 4.06Å; F75-L98 HydrophobicContact CE2-CD1 4.08Å; F75-L98 HydrophobicContact CZ-CB 4.2Å; F75-L98 HydrophobicContact CZ-CD1 3.84Å; C89-L98 HydrophobicContact CB-CD1 4.49Å; S95-L98 PolarHBondContact O-N 3.38Å; S95-L98 VanDerWaalsContact O-N 3.14Å; L98-V104 HydrophobicContact CD2-CG1 3.66Å; L98-I113 HydrophobicContact CD1-CD1 4.2Å; L98-I113 HydrophobicContact CD1-CG2 4.42Å; L98-Q116 HydrophobicContact CD2-CB 4.42Å | ||
| 99 | K | 86.6 | Confident | 87.8 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | trans | -83.5 | 156.6 | 177.2 | -65.4 | -177.4 | -179.1 | 179.7 | 0 | 111.1 | K97 G101 T102 | K97-K99 VanDerWaalsContact C-N 3.3Å; K97-K99 PolarHBondContact O-N 2.99Å; K99-G101 PolarHBondContact O-N 3.41Å; K99-T102 HydrophobicContact CB-CG2 4.08Å; K99-T102 WeakPolarHBondContact O-CB 3.4Å; K99-T102 WeakPolarHBondContact O-CG2 3.4Å; K99-T102 PolarHBondContact O-N 3.47Å; K99-T102 PolarHBondContact O-OG1 3.45Å | ||
| 100 | P | 88.2 | Confident | 88 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 126.2 | 167.2 | -28.1 | 36.9 | 0 | 0 | 0 | 111.2 | V66 L67 | V66-P100 CarbonylContact O-C 3.58Å; V66-P100 WeakPolarHBondContact O-CA 3.39Å; L67-P100 WeakPolarHBondContact O-CB 2.92Å |
| 101 | G | 85.8 | Confident | 88.1 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.8 | -5.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V66 K99 | V66-G101 PolarHBondContact O-N 2.85Å; K99-G101 PolarHBondContact O-N 3.41Å |
| 102 | T | 89.4 | Confident | 88.5 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 23% | 0.233 | 36% | 0.355 | C | S | . | . | trans | -74.9 | 133.8 | 175.2 | 60 | 0 | 0 | 0 | 0 | 111.4 | V66 K99 | V66-T102 PolarHBondContact N-O 2.91Å; K99-T102 HydrophobicContact CB-CG2 4.08Å; K99-T102 WeakPolarHBondContact O-CB 3.4Å; K99-T102 WeakPolarHBondContact O-CG2 3.4Å; K99-T102 PolarHBondContact O-N 3.47Å; K99-T102 PolarHBondContact O-OG1 3.45Å | ||
| 103 | R | 91.2 | Very high | 88.8 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.6 | 174.4 | -160 | 178.9 | -172.2 | -165.8 | 4.7 | 110 | V63 G64 L117 E120 | V63-R103 HydrophobicContact CG1-CG 3.89Å; G64-R103 CarbonylContact O-C 3.6Å; G64-R103 WeakPolarHBondContact O-CA 3.15Å; R103-L117 HydrophobicContact CB-CB 4.12Å; R103-L117 HydrophobicContact CG-CB 4.13Å; R103-L117 HydrophobicContact CG-CD1 4.25Å; R103-L117 PolarHBondContact O-N 2.81Å; R103-E120 IonicContact CZ-OE1 2.81Å; R103-E120 IonicContact CZ-OE2 3.61Å; R103-E120 VanDerWaalsContact CZ-OE2 3.23Å; R103-E120 IonicContact NE-OE2 3.88Å; R103-E120 VanDerWaalsContact NH1-CD 3.26Å; R103-E120 IonicContact NH1-OE1 3.8Å; R103-E120 PolarHBondContact NH1-OE1 2.95Å; R103-E120 IonicContact NH1-OE2 2.91Å; R103-E120 IonicContact NH2-OE1 3.5Å; R103-E120 PolarHBondContact NH2-OE1 3.43Å; R103-E120 IonicContact NH2-OE2 2.81Å; R103-E120 PolarHBondContact NH2-OE2 3.49Å |
| 104 | V | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.6 | -177.8 | -69 | 0 | 0 | 0 | 0 | 111.2 | G64 V66 V77 L98 L106 I113 | G64-V104 PolarHBondContact N-O 3.38Å; G64-V104 WeakPolarHBondContact O-CG2 3.37Å; G64-V104 PolarHBondContact O-N 2.94Å; V66-V104 HydrophobicContact CG2-CB 4.39Å; V66-V104 HydrophobicContact CG2-CG1 3.57Å; V66-V104 HydrophobicContact CG2-CG2 3.87Å; V77-V104 HydrophobicContact CG1-CG2 4.11Å; L98-V104 HydrophobicContact CD2-CG1 3.66Å; V104-L106 HydrophobicContact CG2-CD2 4.47Å; V104-I113 HydrophobicContact CB-CG2 4.04Å; V104-I113 HydrophobicContact CG1-CG2 4.03Å |
| 105 | A | 94.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q61 I62 M114 R115 L117 | Q61-A105 HydrophobicContact CB-CB 4Å; Q61-A105 VanDerWaalsContact OE1-CB 3.26Å; I62-A105 CarbonylContact O-C 3.59Å; I62-A105 WeakPolarHBondContact O-CA 3.4Å; A105-M114 PolarHBondContact O-N 2.96Å; A105-R115 HydrophobicContact CB-CG 3.8Å; A105-R115 PolarHBondContact N-O 3.03Å; A105-L117 HydrophobicContact CB-CD1 4.06Å; A105-L117 HydrophobicContact CB-CD2 4.34Å; A105-L117 HydrophobicContact CB-CG 4.18Å |
| 106 | L | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 142.3 | 178.1 | -59 | 170.8 | 0 | 0 | 0 | 109.5 | Q61 I62 V77 V87 V104 T112 I113 | Q61-L106 CarbonylContact C-O 3.54Å; Q61-L106 WeakPolarHBondContact CA-O 3.28Å; Q61-L106 WeakPolarHBondContact CB-O 3.47Å; I62-L106 HydrophobicContact CB-CB 4.25Å; I62-L106 PolarHBondContact N-O 2.91Å; I62-L106 PolarHBondContact O-N 3.25Å; V77-L106 HydrophobicContact CB-CD1 4.37Å; V77-L106 HydrophobicContact CG1-CD2 4.44Å; V77-L106 HydrophobicContact CG2-CD1 3.67Å; V77-L106 HydrophobicContact CG2-CD2 4.12Å; V87-L106 HydrophobicContact CG1-CD2 4.43Å; V87-L106 HydrophobicContact CG2-CD2 4.2Å; V104-L106 HydrophobicContact CG2-CD2 4.47Å; L106-T112 WeakPolarHBondContact CA-O 3.43Å; L106-I113 HydrophobicContact CD2-CB 4.4Å; L106-I113 HydrophobicContact CD2-CG1 3.64Å |
| 107 | D | 92.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 137.6 | 168.4 | 177.1 | 48 | 0 | 0 | 0 | 111.2 | T109 T110 L111 T112 M114 | D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 3.39Å; D107-T109 PolarHBondContact OD2-N 3.48Å; D107-T109 PolarHBondContact OD2-OG1 3.07Å; D107-T110 WeakPolarHBondContact CB-OG1 3.41Å; D107-T110 WeakPolarHBondContact OD2-CB 3.44Å; D107-T110 PolarHBondContact OD2-N 3.32Å; D107-T110 PolarHBondContact OD2-OG1 3.01Å; D107-L111 VanDerWaalsContact O-CA 3.24Å; D107-L111 WeakPolarHBondContact O-CA 3.48Å; D107-L111 PolarHBondContact O-N 2.78Å; D107-T112 PolarHBondContact N-O 3.33Å; D107-M114 HydrophobicContact CB-CE 3.93Å; D107-M114 HydrophobicContact CB-CG 4Å; D107-M114 HydrophobicContact CB-SD 4.42Å |
| 108 | M | 89.3 | Confident | 90.5 | Very high | 95 Ų | 95 | 58.8 Ų | 58.8 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -32.3 | -177.9 | -79.8 | -170.5 | -54 | 0 | 0 | 112.7 | V59 G60 I62 | V59-M108 HydrophobicContact CB-CE 3.93Å; G60-M108 VanDerWaalsContact O-CE 3.25Å; G60-M108 WeakPolarHBondContact O-CE 3.44Å; G60-M108 WeakPolarHBondContact O-CG 3.43Å; I62-M108 HydrophobicContact CD1-CG 4.25Å; I62-M108 HydrophobicContact CG1-CG 3.81Å |
| 109 | T | 90.8 | Very high | 90.3 | Very high | 122 Ų | 122 | 64.4 Ų | 64.4 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -44.7 | -172.5 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | D107 | D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 3.39Å; D107-T109 PolarHBondContact OD2-N 3.48Å; D107-T109 PolarHBondContact OD2-OG1 3.07Å |
| 110 | T | 91.9 | Very high | 90 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9.3 | -174.1 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | D107 T112 | D107-T110 WeakPolarHBondContact CB-OG1 3.41Å; D107-T110 WeakPolarHBondContact OD2-CB 3.44Å; D107-T110 PolarHBondContact OD2-N 3.32Å; D107-T110 PolarHBondContact OD2-OG1 3.01Å; T110-T112 PolarHBondContact O-N 2.8Å; T110-T112 PolarHBondContact OG1-OG1 3.19Å |
| 111 | L | 90.7 | Very high | 89.7 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | trans | 52.5 | 35.3 | -172.8 | -60.8 | 173.8 | 0 | 0 | 0 | 112.7 | I62 Y85 V87 D107 | I62-L111 HydrophobicContact CD1-CD2 4Å; Y85-L111 HydrophobicContact CD1-CD1 3.79Å; Y85-L111 HydrophobicContact CD2-CD1 4.45Å; Y85-L111 HydrophobicContact CE1-CD1 3.96Å; Y85-L111 HydrophobicContact CG-CD1 4.04Å; V87-L111 WeakPolarHBondContact CB-O 3.5Å; V87-L111 HydrophobicContact CG1-CB 4.11Å; V87-L111 WeakPolarHBondContact CG1-O 3.36Å; D107-L111 VanDerWaalsContact O-CA 3.24Å; D107-L111 WeakPolarHBondContact O-CA 3.48Å; D107-L111 PolarHBondContact O-N 2.78Å | ||
| 112 | T | 92.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 59 Ų | 59 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | trans | -93.5 | 143.8 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 111.5 | G88 L106 D107 T110 M114 | G88-T112 WeakPolarHBondContact O-CA 3.25Å; L106-T112 WeakPolarHBondContact CA-O 3.43Å; D107-T112 PolarHBondContact N-O 3.33Å; T110-T112 PolarHBondContact O-N 2.8Å; T110-T112 PolarHBondContact OG1-OG1 3.19Å; T112-M114 PolarHBondContact O-N 2.95Å; T112-M114 VanDerWaalsContact O-N 3.15Å; T112-M114 WeakPolarHBondContact OG1-CE 3.34Å | ||
| 113 | I | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 113.2 | 177.8 | -59.2 | 171.8 | 0 | 0 | 0 | 109.3 | F75 V77 V87 G88 C89 R90 L93 L98 V104 L106 | F75-I113 HydrophobicContact CB-CD1 3.84Å; F75-I113 HydrophobicContact CD2-CD1 4.01Å; F75-I113 HydrophobicContact CG-CD1 3.96Å; V77-I113 HydrophobicContact CG1-CD1 4.09Å; V77-I113 HydrophobicContact CG1-CG1 4.41Å; V87-I113 HydrophobicContact CG2-CD1 3.84Å; V87-I113 HydrophobicContact CG2-CG1 3.75Å; G88-I113 PolarHBondContact O-N 3.44Å; C89-I113 HydrophobicContact CB-CB 4.33Å; R90-I113 WeakPolarHBondContact CB-O 3.33Å; R90-I113 PolarHBondContact N-O 3.18Å; R90-I113 VanDerWaalsContact N-O 3.09Å; L93-I113 HydrophobicContact CD1-CB 4.46Å; L93-I113 HydrophobicContact CD1-CG2 3.75Å; L93-I113 WeakPolarHBondContact CD1-O 3.25Å; L98-I113 HydrophobicContact CD1-CD1 4.2Å; L98-I113 HydrophobicContact CD1-CG2 4.42Å; V104-I113 HydrophobicContact CB-CG2 4.04Å; V104-I113 HydrophobicContact CG1-CG2 4.03Å; L106-I113 HydrophobicContact CD2-CB 4.4Å; L106-I113 HydrophobicContact CD2-CG1 3.64Å |
| 114 | M | 90.9 | Very high | 89 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 22% | 0.217 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -46.1 | -177.5 | -73.3 | -66.5 | 119.5 | 0 | 0 | 112.7 | A105 D107 T112 | A105-M114 PolarHBondContact O-N 2.96Å; D107-M114 HydrophobicContact CB-CE 3.93Å; D107-M114 HydrophobicContact CB-CG 4Å; D107-M114 HydrophobicContact CB-SD 4.42Å; T112-M114 PolarHBondContact O-N 2.95Å; T112-M114 VanDerWaalsContact O-N 3.15Å; T112-M114 WeakPolarHBondContact OG1-CE 3.34Å |
| 115 | R | 90.8 | Very high | 88.6 | Confident | 136 Ų | 136 | 62.9 Ų | 62.9 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 154 | -179.7 | 65 | -175.5 | 108.8 | -164.7 | 0.3 | 111.4 | A105 L117 | A105-R115 HydrophobicContact CB-CG 3.8Å; A105-R115 PolarHBondContact N-O 3.03Å; R115-L117 HydrophobicContact CG-CD2 4.35Å |
| 116 | Q | 91.2 | Very high | 88.1 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 144.3 | 165.4 | 66.1 | 179.8 | 36 | 0 | 0 | 109.9 | K97 L98 | K97-Q116 VanDerWaalsContact CB-OE1 3.23Å; L98-Q116 HydrophobicContact CD2-CB 4.42Å |
| 117 | L | 91.2 | Very high | 87.7 | Confident | 50 Ų | 50 | 72 Ų | 72 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | trans | -110.7 | 148.9 | 174.9 | -64.5 | 175 | 0 | 0 | 0 | 109.4 | V63 R103 A105 R115 | V63-L117 HydrophobicContact CG1-CD1 4.17Å; V63-L117 HydrophobicContact CG2-CD1 4.13Å; R103-L117 HydrophobicContact CB-CB 4.12Å; R103-L117 HydrophobicContact CG-CB 4.13Å; R103-L117 HydrophobicContact CG-CD1 4.25Å; R103-L117 PolarHBondContact O-N 2.81Å; A105-L117 HydrophobicContact CB-CD1 4.06Å; A105-L117 HydrophobicContact CB-CD2 4.34Å; A105-L117 HydrophobicContact CB-CG 4.18Å; R115-L117 HydrophobicContact CG-CD2 4.35Å | ||
| 118 | P | 87.4 | Confident | 87.3 | Confident | 107 Ų | 107 | 72 Ų | 72 | 70% | 0.695 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 163.7 | 166.8 | 29.6 | -34.3 | 0 | 0 | 0 | 110.2 | ||
| 119 | R | 82.4 | Confident | 86.7 | Confident | 126 Ų | 126 | 69 Ų | 69 | 48% | 0.475 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 143.6 | 174.2 | -66.7 | 179.6 | 72.6 | -172.4 | 9.5 | 109.8 | N226 D230 | R119-N226 VanDerWaalsContact NH2-CB 3.35Å; R119-N226 PolarHBondContact NH2-ND2 3.3Å; R119-N226 PolarHBondContact NH2-OD1 3Å; R119-D230 IonicContact CZ-OD2 3.8Å; R119-D230 IonicContact NE-OD2 2.66Å; R119-D230 IonicContact NH1-OD1 2.62Å; R119-D230 PolarHBondContact NH1-OD1 3.11Å; R119-D230 IonicContact NH1-OD2 3.08Å; R119-D230 PolarHBondContact NH1-OD2 3.31Å |
| 120 | E | 81.4 | Confident | 85.7 | Confident | 104 Ų | 104 | 66 Ų | 66 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 139.1 | 171.5 | -167.4 | 148.7 | -134.1 | 0 | 0 | 109.6 | R103 | R103-E120 IonicContact CZ-OE1 2.81Å; R103-E120 IonicContact CZ-OE2 3.61Å; R103-E120 VanDerWaalsContact CZ-OE2 3.23Å; R103-E120 IonicContact NE-OE2 3.88Å; R103-E120 VanDerWaalsContact NH1-CD 3.26Å; R103-E120 IonicContact NH1-OE1 3.8Å; R103-E120 PolarHBondContact NH1-OE1 2.95Å; R103-E120 IonicContact NH1-OE2 2.91Å; R103-E120 IonicContact NH2-OE1 3.5Å; R103-E120 PolarHBondContact NH2-OE1 3.43Å; R103-E120 IonicContact NH2-OE2 2.81Å; R103-E120 PolarHBondContact NH2-OE2 3.49Å |
| 121 | V | 80.8 | Confident | 84.7 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 34% | 0.339 | 35% | 0.345 | S | S | . | . | trans | -116.3 | 125.5 | 161.7 | -174.5 | 0 | 0 | 0 | 0 | 105.6 | V125 H126 Y227 | V121-V125 HydrophobicContact CG1-CB 4.16Å; V121-V125 HydrophobicContact CG1-CG1 4.23Å; V121-H126 HydrophobicContact CG1-CB 4.47Å; V121-Y227 HydrophobicContact CB-CD2 4.22Å; V121-Y227 HydrophobicContact CB-CE2 4.5Å; V121-Y227 HydrophobicContact CG1-CD2 3.37Å; V121-Y227 HydrophobicContact CG1-CE2 3.7Å; V121-Y227 HydrophobicContact CG1-CG 4.29Å; V121-Y227 HydrophobicContact CG2-CD2 3.75Å; V121-Y227 HydrophobicContact CG2-CE2 4.08Å | ||
| 122 | D | 82.8 | Confident | 83.5 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | trans | -60.8 | 134.3 | 175.9 | -166.5 | -53.1 | 0 | 0 | 0 | 109.3 | L124 V125 H126 | D122-L124 PolarHBondContact O-N 3.22Å; D122-L124 VanDerWaalsContact O-N 3.1Å; D122-L124 WeakPolarHBondContact OD1-CB 3.32Å; D122-L124 PolarHBondContact OD1-N 3.21Å; D122-V125 HydrophobicContact CB-CG2 4.18Å; D122-V125 PolarHBondContact O-N 2.68Å; D122-H126 PolarHBondContact O-N 2.82Å | ||
| 123 | P | 85.1 | Confident | 82.1 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 57% | 0.571 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.9 | -30.5 | 175.8 | 22 | -35.4 | 0 | 0 | 0 | 113.1 | H126 N127 | P123-H126 PolarHBondContact O-N 3.38Å; P123-N127 WeakPolarHBondContact O-CB 3.29Å; P123-N127 PolarHBondContact O-N 3.32Å; P123-N127 PolarHBondContact O-ND2 3.47Å; P123-N127 PolarHBondContact O-OD1 3.13Å |
| 124 | L | 85 | Confident | 80.8 | Confident | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.1 | -66.6 | 176.1 | 0 | 0 | 0 | 111.7 | D122 N127 M128 L220 | D122-L124 PolarHBondContact O-N 3.22Å; D122-L124 VanDerWaalsContact O-N 3.1Å; D122-L124 WeakPolarHBondContact OD1-CB 3.32Å; D122-L124 PolarHBondContact OD1-N 3.21Å; L124-N127 PolarHBondContact O-N 3.01Å; L124-M128 VanDerWaalsContact O-CG 3.25Å; L124-M128 WeakPolarHBondContact O-CG 3.42Å; L124-M128 PolarHBondContact O-N 3.05Å; L124-L220 HydrophobicContact CB-CD1 3.93Å; L124-L220 HydrophobicContact CD1-CD1 4.24Å; L124-L220 HydrophobicContact CD1-CD2 4.16Å |
| 125 | V | 84.1 | Confident | 80 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 178 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | V121 D122 N127 M128 S129 L202 L220 E223 M224 Y227 | V121-V125 HydrophobicContact CG1-CB 4.16Å; V121-V125 HydrophobicContact CG1-CG1 4.23Å; D122-V125 HydrophobicContact CB-CG2 4.18Å; D122-V125 PolarHBondContact O-N 2.68Å; V125-N127 VanDerWaalsContact C-N 3.34Å; V125-N127 PolarHBondContact O-N 2.66Å; V125-M128 WeakPolarHBondContact O-CB 3.47Å; V125-M128 PolarHBondContact O-N 2.72Å; V125-S129 PolarHBondContact O-N 3.44Å; V125-S129 VanDerWaalsContact O-N 3.17Å; V125-L202 HydrophobicContact CG1-CD2 4.39Å; V125-L220 HydrophobicContact CG2-CD1 3.66Å; V125-E223 HydrophobicContact CG2-CB 4.34Å; V125-M224 HydrophobicContact CG2-CB 4.29Å; V125-Y227 HydrophobicContact CG1-CD1 4.07Å; V125-Y227 HydrophobicContact CG1-CD2 4.3Å; V125-Y227 HydrophobicContact CG1-CG 3.76Å |
| 126 | H | 84.2 | Confident | 79.5 | Confident | 99 Ų | 99 | 70.6 Ų | 70.6 | 46% | 0.458 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 174.7 | -178 | -86.5 | 0 | 0 | 0 | 111.4 | V121 D122 P123 M128 S129 A130 | V121-H126 HydrophobicContact CG1-CB 4.47Å; D122-H126 PolarHBondContact O-N 2.82Å; P123-H126 PolarHBondContact O-N 3.38Å; H126-M128 VanDerWaalsContact C-N 3.3Å; H126-M128 PolarHBondContact O-N 3.18Å; H126-S129 PolarHBondContact O-N 3.01Å; H126-S129 VanDerWaalsContact O-N 3.12Å; H126-S129 PolarHBondContact O-OG 3.5Å; H126-A130 PolarHBondContact O-N 3.45Å |
| 127 | N | 84.2 | Confident | 79.2 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 175.5 | -68.6 | -17.9 | 0 | 0 | 0 | 112.4 | P123 L124 V125 S129 A130 E131 | P123-N127 WeakPolarHBondContact O-CB 3.29Å; P123-N127 PolarHBondContact O-N 3.32Å; P123-N127 PolarHBondContact O-ND2 3.47Å; P123-N127 PolarHBondContact O-OD1 3.13Å; L124-N127 PolarHBondContact O-N 3.01Å; V125-N127 VanDerWaalsContact C-N 3.34Å; V125-N127 PolarHBondContact O-N 2.66Å; N127-S129 VanDerWaalsContact C-N 3.25Å; N127-S129 PolarHBondContact O-N 3.37Å; N127-A130 PolarHBondContact O-N 3.47Å; N127-E131 PolarHBondContact O-N 3.15Å; N127-E131 VanDerWaalsContact O-N 3.16Å |
| 128 | M | 82.9 | Confident | 78.9 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -29.7 | 175.3 | -68 | 167 | -171.6 | 0 | 0 | 113.1 | L124 V125 H126 L202 K203 V204 L220 | L124-M128 VanDerWaalsContact O-CG 3.25Å; L124-M128 WeakPolarHBondContact O-CG 3.42Å; L124-M128 PolarHBondContact O-N 3.05Å; V125-M128 WeakPolarHBondContact O-CB 3.47Å; V125-M128 PolarHBondContact O-N 2.72Å; H126-M128 VanDerWaalsContact C-N 3.3Å; H126-M128 PolarHBondContact O-N 3.18Å; M128-L202 HydrophobicContact CB-CD2 4.22Å; M128-K203 WeakPolarHBondContact CB-O 3.41Å; M128-K203 WeakPolarHBondContact CG-O 3.42Å; M128-K203 PolarHBondContact O-N 3.45Å; M128-V204 HydrophobicContact CE-CG1 4.04Å; M128-V204 HydrophobicContact CG-CG2 4.35Å; M128-V204 HydrophobicContact SD-CB 4.38Å; M128-V204 HydrophobicContact SD-CG1 4.02Å; M128-V204 HydrophobicContact SD-CG2 3.69Å; M128-L220 HydrophobicContact CE-CD2 4.27Å |
| 129 | S | 77.9 | Confident | 78.8 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -84 | -29.2 | 174.2 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | V125 H126 N127 E131 Y227 | V125-S129 PolarHBondContact O-N 3.44Å; V125-S129 VanDerWaalsContact O-N 3.17Å; H126-S129 PolarHBondContact O-N 3.01Å; H126-S129 VanDerWaalsContact O-N 3.12Å; H126-S129 PolarHBondContact O-OG 3.5Å; N127-S129 VanDerWaalsContact C-N 3.25Å; N127-S129 PolarHBondContact O-N 3.37Å; S129-E131 VanDerWaalsContact C-N 3.32Å; S129-Y227 PolarHBondContact OG-OH 3.27Å |
| 130 | A | 70.1 | Confident | 78.9 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -81.2 | -12.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | H126 N127 D132 | H126-A130 PolarHBondContact O-N 3.45Å; N127-A130 PolarHBondContact O-N 3.47Å; A130-D132 VanDerWaalsContact C-N 3.29Å; A130-D132 PolarHBondContact O-N 3.1Å |
| 131 | E | 69.5 | Low | 79.1 | Confident | 94 Ų | 94 | 58.6 Ų | 58.6 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -68.4 | 89.8 | 166.9 | -78.6 | -166.4 | -168.7 | 0 | 0 | 109.8 | N127 S129 K203 | N127-E131 PolarHBondContact O-N 3.15Å; N127-E131 VanDerWaalsContact O-N 3.16Å; S129-E131 VanDerWaalsContact C-N 3.32Å; E131-K203 IonicContact OE2-NZ 3.31Å; E131-K203 PolarHBondContact OE2-NZ 3.21Å |
| 132 | D | 66.5 | Low | 79.2 | Confident | 137 Ų | 137 | 56.6 Ų | 56.6 | 73% | 0.733 | 35% | 0.352 | S | S | * | . | trans | -49.4 | 132.3 | 173.9 | -75.3 | -38.4 | 0 | 0 | 0 | 110 | A130 G134 | A130-D132 VanDerWaalsContact C-N 3.29Å; A130-D132 PolarHBondContact O-N 3.1Å; D132-G134 PolarHBondContact O-N 2.99Å | ||
| 133 | P | 62.6 | Low | 79.3 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | trans | -61.3 | -2.4 | -178.2 | 19.1 | -28.8 | 0 | 0 | 0 | 114.5 | R191 A194 F201 | P133-R191 HydrophobicContact CB-CG 4.48Å; P133-R191 WeakPolarHBondContact O-CB 3.38Å; P133-R191 WeakPolarHBondContact O-CD 3.43Å; P133-R191 WeakPolarHBondContact O-CG 3.32Å; P133-A194 HydrophobicContact CB-CB 3.89Å; P133-A194 HydrophobicContact CG-CB 4.08Å; P133-F201 HydrophobicContact CB-CD1 3.96Å; P133-F201 HydrophobicContact CB-CE1 4.24Å; P133-F201 HydrophobicContact CG-CD1 4.42Å | ||
| 134 | G | 65.8 | Low | 79.4 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | trans | 74.9 | 147.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110 | D132 V136 | D132-G134 PolarHBondContact O-N 2.99Å; G134-V136 PolarHBondContact O-N 3.31Å | ||
| 135 | S | 73.5 | Confident | 79.6 | Confident | 123 Ų | 123 | 53.4 Ų | 53.4 | 86% | 0.86 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -76.1 | 61.4 | 177.9 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 136 | V | 81.7 | Confident | 79.9 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 17% | 0.17 | 37% | 0.371 | C | S | . | . | trans | -97 | 110.8 | -178.5 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | G134 S140 L188 A192 S195 | G134-V136 PolarHBondContact O-N 3.31Å; V136-S140 WeakPolarHBondContact CG1-OG 3.27Å; V136-L188 HydrophobicContact CG1-CD1 3.8Å; V136-L188 HydrophobicContact CG1-CG 4.29Å; V136-L188 HydrophobicContact CG2-CD1 4.41Å; V136-A192 HydrophobicContact CG1-CB 4.18Å; V136-A192 WeakPolarHBondContact O-CA 3.45Å; V136-S195 WeakPolarHBondContact O-CB 3.27Å | ||
| 137 | S | 84.7 | Confident | 80.2 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | trans | -85.9 | 160.3 | 175.1 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | A139 S140 | S137-A139 PolarHBondContact O-N 3.4Å; S137-A139 VanDerWaalsContact O-N 3.1Å; S137-S140 WeakPolarHBondContact O-CB 3.49Å; S137-S140 PolarHBondContact O-N 2.89Å; S137-S140 PolarHBondContact O-OG 2.81Å | ||
| 138 | Y | 85.5 | Confident | 80.5 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -55.9 | -27.5 | 173.4 | -68 | -57.5 | 0 | 0 | 0 | 113.4 | S140 V141 I148 R152 A192 V193 Q196 | Y138-S140 PolarHBondContact O-N 3.48Å; Y138-V141 PolarHBondContact O-N 3.36Å; Y138-V141 VanDerWaalsContact O-N 3.09Å; Y138-I148 HydrophobicContact CD1-CG2 3.82Å; Y138-I148 HydrophobicContact CE1-CG2 3.86Å; Y138-R152 VanDerWaalsContact CE2-NH2 3.31Å; Y138-A192 HydrophobicContact CD1-CB 4.15Å; Y138-A192 HydrophobicContact CE1-CB 4.36Å; Y138-V193 HydrophobicContact CE1-CG2 3.88Å; Y138-Q196 HydrophobicContact CD2-CB 4.38Å; Y138-Q196 HydrophobicContact CD2-CG 4.16Å; Y138-Q196 HydrophobicContact CE2-CB 3.72Å; Y138-Q196 HydrophobicContact CE2-CG 3.59Å |
| 139 | A | 84.8 | Confident | 80.9 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -65.7 | -19.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S137 | S137-A139 PolarHBondContact O-N 3.4Å; S137-A139 VanDerWaalsContact O-N 3.1Å |
| 140 | S | 83.3 | Confident | 81.6 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -83.6 | -10.3 | 175.6 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | V136 S137 Y138 | V136-S140 WeakPolarHBondContact CG1-OG 3.27Å; S137-S140 WeakPolarHBondContact O-CB 3.49Å; S137-S140 PolarHBondContact O-N 2.89Å; S137-S140 PolarHBondContact O-OG 2.81Å; Y138-S140 PolarHBondContact O-N 3.48Å |
| 141 | V | 85.7 | Confident | 82.6 | Confident | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -103.4 | 106 | 179 | -173.8 | 0 | 0 | 0 | 0 | 109 | Y138 L144 I148 L188 A192 | Y138-V141 PolarHBondContact O-N 3.36Å; Y138-V141 VanDerWaalsContact O-N 3.09Å; V141-L144 HydrophobicContact CG1-CB 4.31Å; V141-L144 HydrophobicContact CG1-CD1 3.97Å; V141-I148 HydrophobicContact CB-CD1 4.19Å; V141-I148 HydrophobicContact CG1-CD1 4.03Å; V141-L188 HydrophobicContact CG2-CD2 3.97Å; V141-L188 HydrophobicContact CG2-CG 4.12Å; V141-A192 HydrophobicContact CG2-CB 4.12Å |
| 142 | G | 83.7 | Confident | 83.5 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | trans | -87.8 | 147.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L144 | G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 3.18Å | ||
| 143 | G | 84.3 | Confident | 84.6 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 73.8 | 3.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118 | A314 | G143-A314 VanDerWaalsContact CA-CB 3.49Š|
| 144 | L | 88.1 | Confident | 85.8 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | trans | -115.5 | 33.9 | -177.7 | -63.6 | 175.7 | 0 | 0 | 0 | 112.8 | V141 G142 D146 Q147 I148 L189 I307 | V141-L144 HydrophobicContact CG1-CB 4.31Å; V141-L144 HydrophobicContact CG1-CD1 3.97Å; G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 3.18Å; L144-D146 VanDerWaalsContact C-N 3.33Å; L144-D146 PolarHBondContact O-N 3.09Å; L144-Q147 PolarHBondContact O-N 2.88Å; L144-I148 HydrophobicContact CB-CD1 4.39Å; L144-I148 HydrophobicContact CB-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.42Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.99Å; L144-L189 HydrophobicContact CB-CD1 4.5Å; L144-L189 HydrophobicContact CD1-CD1 4.13Å; L144-I307 HydrophobicContact CD1-CG2 4.13Å; L144-I307 HydrophobicContact CD2-CG2 3.85Å | ||
| 145 | A | 87.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 63% | 0.628 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.6 | -40.7 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | R149 | A145-R149 PolarHBondContact O-N 3Å |
| 146 | D | 91 | Very high | 87.4 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 178.6 | -71.4 | -46.8 | 0 | 0 | 0 | 111.7 | L144 I148 R149 E150 | L144-D146 VanDerWaalsContact C-N 3.33Å; L144-D146 PolarHBondContact O-N 3.09Å; D146-I148 PolarHBondContact O-N 3.23Å; D146-R149 WeakPolarHBondContact O-CB 3.35Å; D146-R149 PolarHBondContact O-N 3.12Å; D146-R149 IonicContact OD1-CZ 2.66Å; D146-R149 IonicContact OD1-NH2 2.76Å; D146-R149 PolarHBondContact OD1-NH2 3.37Å; D146-E150 PolarHBondContact O-N 2.86Å |
| 147 | Q | 91.5 | Very high | 87.7 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 178.6 | -66.6 | 76.7 | 13.8 | 0 | 0 | 111.9 | L144 R149 E150 L151 L189 I305 E306 I307 | L144-Q147 PolarHBondContact O-N 2.88Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-E150 PolarHBondContact O-N 3.14Å; Q147-L151 WeakPolarHBondContact O-CB 3.48Å; Q147-L151 PolarHBondContact O-N 2.77Å; Q147-L189 HydrophobicContact CB-CD1 4.27Å; Q147-I305 HydrophobicContact CB-CG2 3.89Å; Q147-I305 HydrophobicContact CG-CG2 3.71Å; Q147-E306 WeakPolarHBondContact CG-O 3.32Å; Q147-E306 PolarHBondContact NE2-O 3.02Å; Q147-I307 HydrophobicContact CG-CG1 4.35Å |
| 148 | I | 90.6 | Very high | 87.8 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 174.2 | -68.8 | 166.2 | 0 | 0 | 0 | 110.2 | Y138 V141 L144 D146 L151 R152 L189 | Y138-I148 HydrophobicContact CD1-CG2 3.82Å; Y138-I148 HydrophobicContact CE1-CG2 3.86Å; V141-I148 HydrophobicContact CB-CD1 4.19Å; V141-I148 HydrophobicContact CG1-CD1 4.03Å; L144-I148 HydrophobicContact CB-CD1 4.39Å; L144-I148 HydrophobicContact CB-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.42Å; L144-I148 VanDerWaalsContact O-CG1 3.23Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.99Å; D146-I148 PolarHBondContact O-N 3.23Å; I148-L151 PolarHBondContact O-N 3.05Å; I148-R152 VanDerWaalsContact O-CB 3.27Å; I148-R152 WeakPolarHBondContact O-CB 3.49Å; I148-R152 PolarHBondContact O-N 3.03Å; I148-L189 HydrophobicContact CG1-CD1 4.15Å; I148-L189 HydrophobicContact CG1-CG 4.34Å |
| 149 | R | 91.1 | Very high | 87.8 | Confident | 134 Ų | 134 | 47.6 Ų | 47.6 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 176 | -176.6 | -176.6 | 64.4 | -156.5 | -12.9 | 111.2 | A145 D146 Q147 L151 R152 E153 | A145-R149 PolarHBondContact O-N 3Å; D146-R149 WeakPolarHBondContact O-CB 3.35Å; D146-R149 PolarHBondContact O-N 3.12Å; D146-R149 IonicContact OD1-CZ 2.66Å; D146-R149 IonicContact OD1-NH2 2.76Å; D146-R149 PolarHBondContact OD1-NH2 3.37Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 2.84Å; R149-R152 WeakPolarHBondContact O-CB 3.33Å; R149-R152 PolarHBondContact O-N 3.48Å; R149-E153 WeakPolarHBondContact O-CG 3.31Å; R149-E153 PolarHBondContact O-N 3.29Å |
| 150 | E | 91.6 | Very high | 87.8 | Confident | 87 Ų | 87 | 50 Ų | 50 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 178.6 | -73.3 | -174.2 | -172.6 | 0 | 0 | 112.1 | D146 Q147 R152 E153 V154 I305 | D146-E150 PolarHBondContact O-N 2.86Å; Q147-E150 PolarHBondContact O-N 3.14Å; E150-R152 VanDerWaalsContact C-N 3.32Å; E150-R152 PolarHBondContact O-N 3.03Å; E150-E153 PolarHBondContact O-N 3.27Å; E150-V154 WeakPolarHBondContact O-CG2 3.47Å; E150-V154 PolarHBondContact O-N 2.96Å; E150-I305 HydrophobicContact CB-CD1 4.02Å; E150-I305 HydrophobicContact CB-CG1 4.47Å |
| 151 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 178.2 | -168.9 | 64.3 | 0 | 0 | 0 | 111.9 | Q147 I148 R149 V154 I155 C176 L178 L189 V193 I305 | Q147-L151 WeakPolarHBondContact O-CB 3.48Å; Q147-L151 PolarHBondContact O-N 2.77Å; I148-L151 PolarHBondContact O-N 3.05Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 2.84Å; L151-V154 PolarHBondContact O-N 3.46Å; L151-I155 HydrophobicContact CD1-CD1 3.53Å; L151-I155 HydrophobicContact CD1-CG1 4.1Å; L151-I155 HydrophobicContact CD2-CD1 4.27Å; L151-I155 HydrophobicContact CG-CD1 3.74Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3Å; L151-C176 HydrophobicContact CD1-CB 4.14Å; L151-C176 WeakPolarHBondContact CD1-SG 3.36Å; L151-L178 HydrophobicContact CD1-CD2 4.49Å; L151-L189 HydrophobicContact CB-CD2 4.32Å; L151-L189 HydrophobicContact CD2-CD2 3.05Å; L151-L189 HydrophobicContact CG-CD2 4.27Å; L151-V193 HydrophobicContact CD2-CB 4.45Å; L151-V193 HydrophobicContact CD2-CG2 3.56Å; L151-V193 HydrophobicContact CG-CG2 4.16Å; L151-I305 HydrophobicContact CB-CD1 4.05Å; L151-I305 HydrophobicContact CD1-CD1 4.07Å |
| 152 | R | 89.3 | Confident | 87.8 | Confident | 97 Ų | 97 | 53.8 Ų | 53.8 | 37% | 0.366 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 174.6 | -172.7 | 175.8 | -62.7 | 158.6 | 3.6 | 111.9 | Y138 I148 R149 E150 V154 I155 E156 L157 | Y138-R152 VanDerWaalsContact CE2-NH2 3.31Å; I148-R152 VanDerWaalsContact O-CB 3.27Å; I148-R152 WeakPolarHBondContact O-CB 3.49Å; I148-R152 PolarHBondContact O-N 3.03Å; R149-R152 WeakPolarHBondContact O-CB 3.33Å; R149-R152 PolarHBondContact O-N 3.48Å; E150-R152 VanDerWaalsContact C-N 3.32Å; E150-R152 PolarHBondContact O-N 3.03Å; R152-V154 PolarHBondContact O-N 2.68Å; R152-I155 PolarHBondContact O-N 3.45Å; R152-E156 VanDerWaalsContact CD-OE2 3.23Å; R152-E156 WeakPolarHBondContact CD-OE2 3.42Å; R152-E156 HydrophobicContact CG-CB 3.67Å; R152-E156 HydrophobicContact CG-CG 4.19Å; R152-E156 WeakPolarHBondContact CG-OE2 3.28Å; R152-E156 IonicContact NE-OE2 3.07Å; R152-E156 PolarHBondContact NE-OE2 2.84Å; R152-E156 WeakPolarHBondContact O-CA 3.36Å; R152-E156 VanDerWaalsContact O-CB 3.3Å; R152-E156 WeakPolarHBondContact O-CB 3.44Å; R152-E156 PolarHBondContact O-N 3.05Å; R152-L157 PolarHBondContact O-N 3.29Å |
| 153 | E | 88.5 | Confident | 88.1 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.9 | -29.1 | 177.5 | -72.5 | 174.9 | -164.9 | 0 | 0 | 113 | R149 E150 L157 P158 | R149-E153 WeakPolarHBondContact O-CG 3.31Å; R149-E153 PolarHBondContact O-N 3.29Å; E150-E153 PolarHBondContact O-N 3.27Å; E153-L157 WeakPolarHBondContact O-CB 3.46Å; E153-P158 WeakPolarHBondContact O-CD 3.33Å |
| 154 | V | 88 | Confident | 88.3 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -84 | -33.4 | -179.2 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | E150 L151 R152 P158 P173 C176 R303 | E150-V154 WeakPolarHBondContact O-CG2 3.47Å; E150-V154 PolarHBondContact O-N 2.96Å; L151-V154 PolarHBondContact O-N 3.46Å; R152-V154 PolarHBondContact O-N 2.68Å; V154-P158 WeakPolarHBondContact O-CD 3.49Å; V154-P158 VanDerWaalsContact O-CG 3.26Å; V154-P158 WeakPolarHBondContact O-CG 3.23Å; V154-P173 HydrophobicContact CB-CG 4.33Å; V154-P173 HydrophobicContact CG1-CB 4.29Å; V154-P173 HydrophobicContact CG1-CG 3.91Å; V154-P173 HydrophobicContact CG2-CG 4.21Å; V154-C176 HydrophobicContact CG1-CB 4.2Å; V154-R303 HydrophobicContact CG2-CB 4.12Å; V154-R303 HydrophobicContact CG2-CG 3.63Å |
| 155 | I | 87.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -107.8 | -58.3 | -170.8 | -57 | -177.5 | 0 | 0 | 0 | 111.3 | L151 R152 P158 L159 V193 L197 I235 I282 | L151-I155 HydrophobicContact CD1-CD1 3.53Å; L151-I155 HydrophobicContact CD1-CG1 4.1Å; L151-I155 HydrophobicContact CD2-CD1 4.27Å; L151-I155 HydrophobicContact CG-CD1 3.74Å; L151-I155 HydrophobicContact CG-CG1 4.38Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3Å; R152-I155 PolarHBondContact O-N 3.45Å; I155-P158 WeakPolarHBondContact O-CD 3.34Å; I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 WeakPolarHBondContact O-CD1 3.45Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 3.48Å; I155-V193 HydrophobicContact CB-CG1 4.46Å; I155-V193 HydrophobicContact CD1-CG1 4.14Å; I155-V193 HydrophobicContact CG2-CG1 4.15Å; I155-L197 HydrophobicContact CG2-CD1 3.62Å; I155-I235 HydrophobicContact CG2-CD1 3.57Å; I155-I235 HydrophobicContact CG2-CG1 4.15Å; I155-I282 HydrophobicContact CD1-CD1 3.31Å; I155-I282 HydrophobicContact CD1-CG1 3.6Å |
| 156 | E | 87.3 | Confident | 88.2 | Confident | 56 Ų | 56 | 66 Ų | 66 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | -174.7 | -175.7 | 172.4 | 151.9 | 0 | 0 | 111.1 | R152 L159 M160 L197 | R152-E156 VanDerWaalsContact CD-OE2 3.23Å; R152-E156 WeakPolarHBondContact CD-OE2 3.42Å; R152-E156 HydrophobicContact CG-CB 3.67Å; R152-E156 HydrophobicContact CG-CG 4.19Å; R152-E156 WeakPolarHBondContact CG-OE2 3.28Å; R152-E156 IonicContact NE-OE2 3.07Å; R152-E156 PolarHBondContact NE-OE2 2.84Å; R152-E156 WeakPolarHBondContact O-CA 3.36Å; R152-E156 VanDerWaalsContact O-CB 3.3Å; R152-E156 WeakPolarHBondContact O-CB 3.44Å; R152-E156 PolarHBondContact O-N 3.05Å; E156-L159 PolarHBondContact O-N 3.14Å; E156-M160 HydrophobicContact CG-CG 4.1Å; E156-M160 WeakPolarHBondContact O-CB 3.21Å; E156-M160 WeakPolarHBondContact O-CG 3.48Å; E156-M160 PolarHBondContact O-N 2.91Å; E156-L197 HydrophobicContact CB-CD2 3.83Å; E156-L197 HydrophobicContact CG-CD2 3.54Å |
| 157 | L | 87.1 | Confident | 88.2 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | -174.7 | -172.4 | 70.4 | 0 | 0 | 0 | 113.1 | R152 E153 L159 N161 L164 F165 | R152-L157 PolarHBondContact O-N 3.29Å; E153-L157 WeakPolarHBondContact O-CB 3.46Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.33Å; L157-N161 PolarHBondContact O-N 2.92Å; L157-L164 HydrophobicContact CD1-CD1 4.27Å; L157-F165 HydrophobicContact CD2-CE2 4.28Å; L157-F165 HydrophobicContact CD2-CZ 4.07Å; L157-F165 HydrophobicContact CG-CE2 4.03Å; L157-F165 HydrophobicContact CG-CZ 4.25Å |
| 158 | P | 86.3 | Confident | 88.3 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 7% | 0.065 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.5 | -27.1 | 176.3 | -20.5 | 34.1 | 0 | 0 | 0 | 114.3 | E153 V154 I155 F165 P172 | E153-P158 WeakPolarHBondContact O-CD 3.33Å; V154-P158 WeakPolarHBondContact O-CD 3.49Å; V154-P158 VanDerWaalsContact O-CG 3.26Å; V154-P158 WeakPolarHBondContact O-CG 3.23Å; I155-P158 WeakPolarHBondContact O-CD 3.34Å; P158-F165 HydrophobicContact CB-CD2 4.44Å; P158-F165 HydrophobicContact CB-CE2 3.9Å; P158-F165 HydrophobicContact CB-CZ 4.26Å; P158-F165 HydrophobicContact CG-CE1 4.45Å; P158-F165 HydrophobicContact CG-CE2 3.73Å; P158-F165 HydrophobicContact CG-CZ 3.63Å; P158-P172 HydrophobicContact CB-CB 3.83Å; P158-P172 HydrophobicContact CG-CB 4.01Å |
| 159 | L | 84.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -76.4 | -42.4 | 179.3 | -72 | 175.1 | 0 | 0 | 0 | 111.4 | I155 E156 L157 L197 P233 Q278 K280 | I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 WeakPolarHBondContact O-CD1 3.45Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 3.48Å; E156-L159 PolarHBondContact O-N 3.14Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.33Å; L159-L197 HydrophobicContact CD1-CD1 4.39Å; L159-P233 HydrophobicContact CD2-CB 3.8Å; L159-Q278 HydrophobicContact CD2-CB 3.83Å; L159-Q278 HydrophobicContact CD2-CG 4.41Å; L159-K280 HydrophobicContact CG-CG 4.49Å |
| 160 | M | 85 | Confident | 88.2 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 65% | 0.65 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -78.7 | -43.8 | -178.5 | -64.7 | -61.8 | -75.5 | 0 | 0 | 112.4 | E156 | E156-M160 HydrophobicContact CG-CG 4.1Å; E156-M160 WeakPolarHBondContact O-CB 3.21Å; E156-M160 WeakPolarHBondContact O-CG 3.48Å; E156-M160 PolarHBondContact O-N 2.91Å |
| 161 | N | 86.2 | Confident | 87.8 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | trans | -131.4 | 68.2 | -171.4 | -68.7 | -26.1 | 0 | 0 | 0 | 112.6 | L157 E163 L164 | L157-N161 PolarHBondContact O-N 2.92Å; N161-E163 PolarHBondContact O-N 3.38Å; N161-L164 HydrophobicContact CB-CD1 3.71Å; N161-L164 HydrophobicContact CB-CG 4.04Å; N161-L164 PolarHBondContact O-N 2.82Å | ||
| 162 | P | 84.5 | Confident | 87.5 | Confident | 52 Ų | 52 | 80 Ų | 80 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -27.1 | 177.9 | 25.5 | -34.5 | 0 | 0 | 0 | 112.7 | L164 F165 H166 | P162-L164 VanDerWaalsContact C-N 3.26Å; P162-L164 PolarHBondContact O-N 2.89Å; P162-F165 PolarHBondContact O-N 3.12Å; P162-H166 PolarHBondContact O-N 3.12Å; P162-H166 PolarHBondContact O-ND1 2.74Å |
| 163 | E | 88.3 | Confident | 87.4 | Confident | 150 Ų | 150 | 76.4 Ų | 76.4 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.2 | -31.8 | -180 | -60.7 | -173.2 | -179.8 | 0 | 0 | 113.3 | N161 F165 H166 R167 | N161-E163 PolarHBondContact O-N 3.38Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.11Å; E163-H166 PolarHBondContact O-N 3.4Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 2.92Å |
| 164 | L | 90.3 | Very high | 87.1 | Confident | 75 Ų | 75 | 75 Ų | 75 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 177.7 | -68.8 | 174.9 | 0 | 0 | 0 | 111.2 | L157 N161 P162 R167 V168 | L157-L164 HydrophobicContact CD1-CD1 4.27Å; N161-L164 HydrophobicContact CB-CD1 3.71Å; N161-L164 HydrophobicContact CB-CG 4.04Å; N161-L164 PolarHBondContact O-N 2.82Å; P162-L164 VanDerWaalsContact C-N 3.26Å; P162-L164 PolarHBondContact O-N 2.89Å; L164-R167 PolarHBondContact O-N 3.5Å; L164-V168 VanDerWaalsContact O-CG2 3.31Å; L164-V168 WeakPolarHBondContact O-CG2 3.04Å; L164-V168 PolarHBondContact O-N 3.35Å |
| 165 | F | 87.3 | Confident | 87.1 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 8% | 0.083 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.6 | -70 | -89.3 | 0 | 0 | 0 | 111.6 | L157 P158 P162 E163 V168 G169 I170 P172 | L157-F165 HydrophobicContact CD2-CE2 4.28Å; L157-F165 HydrophobicContact CD2-CZ 4.07Å; L157-F165 HydrophobicContact CG-CE2 4.03Å; L157-F165 HydrophobicContact CG-CZ 4.25Å; P158-F165 HydrophobicContact CB-CD2 4.44Å; P158-F165 HydrophobicContact CB-CE2 3.9Å; P158-F165 HydrophobicContact CB-CZ 4.26Å; P158-F165 HydrophobicContact CG-CE1 4.45Å; P158-F165 HydrophobicContact CG-CE2 3.73Å; P158-F165 HydrophobicContact CG-CZ 3.63Å; P162-F165 PolarHBondContact O-N 3.12Å; E163-F165 VanDerWaalsContact C-N 3.31Å; E163-F165 PolarHBondContact O-N 3.11Å; F165-V168 PolarHBondContact O-N 2.64Å; F165-G169 PolarHBondContact O-N 2.98Å; F165-I170 HydrophobicContact CD1-CD1 3.82Å; F165-I170 HydrophobicContact CD1-CG1 3.88Å; F165-I170 HydrophobicContact CE1-CD1 4.08Å; F165-I170 PolarHBondContact O-N 3.09Å; F165-I170 VanDerWaalsContact O-N 3.11Å; F165-P172 HydrophobicContact CD1-CB 3.79Å; F165-P172 HydrophobicContact CD2-CB 4.48Å; F165-P172 HydrophobicContact CE1-CB 3.96Å; F165-P172 HydrophobicContact CG-CB 4.09Å; F165-P172 HydrophobicContact CZ-CB 4.38Å |
| 166 | H | 86.1 | Confident | 87.3 | Confident | 152 Ų | 152 | 74.8 Ų | 74.8 | 70% | 0.704 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 177 | -68.3 | 80.7 | 0 | 0 | 0 | 112.4 | P162 E163 G169 | P162-H166 PolarHBondContact O-N 3.12Å; P162-H166 PolarHBondContact O-ND1 2.74Å; E163-H166 PolarHBondContact O-N 3.4Å; H166-G169 PolarHBondContact O-N 3.1Å |
| 167 | R | 91.7 | Very high | 87.5 | Confident | 210 Ų | 210 | 72.1 Ų | 72.1 | 79% | 0.792 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.8 | -37.7 | 177.9 | -73.8 | 178.3 | 64.2 | -176.8 | -0.7 | 113.1 | E163 L164 G169 | E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 2.92Å; L164-R167 PolarHBondContact O-N 3.5Å; R167-G169 VanDerWaalsContact C-N 3.32Å |
| 168 | V | 93.3 | Very high | 87.8 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -76.8 | -23.8 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L164 F165 I170 | L164-V168 VanDerWaalsContact O-CG2 3.31Å; L164-V168 WeakPolarHBondContact O-CG2 3.04Å; L164-V168 PolarHBondContact O-N 3.35Å; F165-V168 PolarHBondContact O-N 2.64Å; V168-I170 HydrophobicContact CB-CG1 4.03Å; V168-I170 HydrophobicContact CG1-CD1 4.11Å; V168-I170 HydrophobicContact CG1-CG1 3.82Å; V168-I170 HydrophobicContact CG1-CG2 4.03Å |
| 169 | G | 89.2 | Confident | 88.1 | Confident | 66 Ų | 66 | 69.9 Ų | 69.9 | 68% | 0.68 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 24 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F165 H166 R167 | F165-G169 PolarHBondContact O-N 2.98Å; H166-G169 PolarHBondContact O-N 3.1Å; R167-G169 VanDerWaalsContact C-N 3.32Å |
| 170 | I | 88.7 | Confident | 88.3 | Confident | 95 Ų | 95 | 69 Ų | 69 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | trans | -107.7 | 142.4 | 177.6 | 54.5 | 165.7 | 0 | 0 | 0 | 110.5 | F165 V168 | F165-I170 HydrophobicContact CD1-CD1 3.82Å; F165-I170 HydrophobicContact CD1-CG1 3.88Å; F165-I170 HydrophobicContact CE1-CD1 4.08Å; F165-I170 PolarHBondContact O-N 3.09Å; F165-I170 VanDerWaalsContact O-N 3.11Å; V168-I170 HydrophobicContact CB-CG1 4.03Å; V168-I170 HydrophobicContact CG1-CD1 4.11Å; V168-I170 HydrophobicContact CG1-CG1 3.82Å; V168-I170 HydrophobicContact CG1-CG2 4.03Å | ||
| 171 | T | 83.8 | Confident | 88.4 | Confident | 131 Ų | 131 | 63.8 Ų | 63.8 | 80% | 0.804 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 131.2 | 170.8 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 172 | P | 85.5 | Confident | 88.4 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 144.7 | 176.6 | 27.2 | -34.1 | 0 | 0 | 0 | 110.3 | P158 F165 | P158-P172 HydrophobicContact CB-CB 3.83Å; P158-P172 HydrophobicContact CG-CB 4.01Å; F165-P172 HydrophobicContact CD1-CB 3.79Å; F165-P172 HydrophobicContact CD2-CB 4.48Å; F165-P172 HydrophobicContact CE1-CB 3.96Å; F165-P172 HydrophobicContact CG-CB 4.09Å; F165-P172 HydrophobicContact CZ-CB 4.38Å |
| 173 | P | 85.7 | Confident | 88.5 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 14% | 0.143 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 140.1 | 177.1 | 24.8 | -34 | 0 | 0 | 0 | 110.8 | V154 K280 D302 R303 | V154-P173 HydrophobicContact CB-CG 4.33Å; V154-P173 HydrophobicContact CG1-CB 4.29Å; V154-P173 HydrophobicContact CG1-CG 3.91Å; V154-P173 HydrophobicContact CG2-CG 4.21Å; P173-K280 PolarHBondContact O-NZ 3.22Å; P173-D302 WeakPolarHBondContact CA-OD2 3.25Å; P173-D302 HydrophobicContact CB-CB 3.92Å; P173-R303 HydrophobicContact CB-CG 4.42Å |
| 174 | K | 83.2 | Confident | 88.4 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | trans | -82.4 | -40 | -177.1 | -69.2 | -172.9 | -178.7 | 179 | 0 | 112.6 | M270 L276 M281 G299 D302 | K174-M270 PolarHBondContact NZ-O 2.99Å; K174-L276 HydrophobicContact CD-CD1 3.94Å; K174-M281 PolarHBondContact O-N 3.14Å; K174-G299 WeakPolarHBondContact CD-O 3.42Å; K174-D302 PolarHBondContact N-OD2 3.5Å | ||
| 175 | G | 87.5 | Confident | 88.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 161.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M281 D302 R303 | G175-M281 CarbonylContact C-O 3.55Å; G175-M281 WeakPolarHBondContact CA-O 3.44Å; G175-D302 PolarHBondContact O-N 3.32Å; G175-R303 PolarHBondContact O-N 3.24Å |
| 176 | C | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146.2 | 176.9 | 58.4 | 0 | 0 | 0 | 0 | 111 | L151 V154 M281 I282 M283 R303 | L151-C176 HydrophobicContact CD1-CB 4.14Å; L151-C176 WeakPolarHBondContact CD1-SG 3.36Å; V154-C176 HydrophobicContact CG1-CB 4.2Å; C176-M281 PolarHBondContact N-O 3.29Å; C176-I282 WeakPolarHBondContact O-CA 3.38Å; C176-M283 PolarHBondContact O-N 2.82Å; C176-R303 CarbonylContact C-O 3.53Å; C176-R303 VanDerWaalsContact CA-O 3.28Å; C176-R303 WeakPolarHBondContact CA-O 3.45Å; C176-R303 HydrophobicContact CB-CB 4.23Å |
| 177 | L | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.9 | 174.4 | 179.3 | 67.8 | 0 | 0 | 0 | 108.9 | I241 M283 T285 L291 L296 L301 R303 K304 I305 | L177-I241 HydrophobicContact CD1-CG2 4.49Å; L177-M283 CarbonylContact C-O 3.58Å; L177-M283 WeakPolarHBondContact CA-O 3.22Å; L177-M283 HydrophobicContact CD1-CB 3.85Å; L177-T285 HydrophobicContact CD1-CG2 3.97Å; L177-L291 HydrophobicContact CD1-CD1 4.26Å; L177-L291 HydrophobicContact CD2-CD1 4.2Å; L177-L296 HydrophobicContact CD2-CD2 3.49Å; L177-L296 VanDerWaalsContact CD2-CD2 3.49Å; L177-L301 HydrophobicContact CB-CD1 4.27Å; L177-L301 HydrophobicContact CD1-CD1 4.44Å; L177-R303 PolarHBondContact N-O 2.82Å; L177-K304 CarbonylContact O-C 3.6Å; L177-K304 WeakPolarHBondContact O-CA 3.29Å; L177-I305 PolarHBondContact O-N 3.06Å |
| 178 | L | 93.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.1 | 171 | -55 | -177.6 | 0 | 0 | 0 | 108.7 | L151 K186 L189 I282 M283 A284 T285 I305 I307 | L151-L178 HydrophobicContact CD1-CD2 4.49Å; L178-K186 HydrophobicContact CB-CB 4.37Å; L178-K186 HydrophobicContact CB-CD 4.47Å; L178-K186 HydrophobicContact CD1-CB 4.49Å; L178-L189 HydrophobicContact CD1-CD2 4.39Å; L178-I282 HydrophobicContact CD1-CG2 3.76Å; L178-I282 HydrophobicContact CG-CG2 3.98Å; L178-M283 PolarHBondContact N-O 2.66Å; L178-A284 HydrophobicContact CB-CB 4.45Å; L178-A284 WeakPolarHBondContact O-CA 3.49Å; L178-T285 PolarHBondContact O-N 3.24Å; L178-I305 HydrophobicContact CD2-CB 3.87Å; L178-I305 HydrophobicContact CD2-CD1 4.05Å; L178-I305 HydrophobicContact CD2-CG1 4.41Å; L178-I305 HydrophobicContact CD2-CG2 4.3Å; L178-I307 HydrophobicContact CB-CD1 4.18Å; L178-I307 HydrophobicContact CD2-CD1 4.39Å |
| 179 | Y | 92.5 | Very high | 88 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 12% | 0.122 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159 | 178.4 | 70.8 | -82.5 | 0 | 0 | 0 | 112 | T285 P288 K304 I305 E306 I307 | Y179-T285 WeakPolarHBondContact CA-O 3.47Å; Y179-P288 HydrophobicContact CD2-CB 4.44Å; Y179-P288 HydrophobicContact CD2-CG 3.95Å; Y179-P288 HydrophobicContact CG-CB 4.39Å; Y179-P288 HydrophobicContact CG-CG 4.34Å; Y179-K304 HydrophobicContact CD1-CB 4.46Å; Y179-K304 HydrophobicContact CE1-CB 3.85Å; Y179-I305 WeakPolarHBondContact CD1-O 3.28Å; Y179-I305 PolarHBondContact N-O 3.41Å; Y179-E306 HydrophobicContact CD2-CG 4.28Å; Y179-E306 HydrophobicContact CE1-CB 4.06Å; Y179-E306 HydrophobicContact CE2-CB 3.84Å; Y179-E306 HydrophobicContact CE2-CG 3.69Å; Y179-I307 PolarHBondContact O-N 3.46Å |
| 180 | G | 88.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 151.3 | -170.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K186 | G180-K186 VanDerWaalsContact C-NZ 3.28Å; G180-K186 VanDerWaalsContact N-CE 3.31Å; G180-K186 VanDerWaalsContact N-NZ 3.17Å; G180-K186 WeakPolarHBondContact O-CE 3.28Å; G180-K186 PolarHBondContact O-NZ 2.93Å |
| 181 | P | 87 | Confident | 87.7 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -65.9 | 158.2 | 174.5 | -21.2 | 33.9 | 0 | 0 | 0 | 113 | T184 I307 L309 Y392 | P181-T184 HydrophobicContact CB-CG2 4.08Å; P181-T184 HydrophobicContact CG-CG2 4.35Å; P181-T184 PolarHBondContact O-OG1 3.29Å; P181-T184 VanDerWaalsContact O-OG1 3.13Å; P181-I307 WeakPolarHBondContact CD-O 3.4Å; P181-L309 HydrophobicContact CB-CD2 4.25Å; P181-L309 HydrophobicContact CG-CD2 4.12Å; P181-L309 HydrophobicContact CG-CG 4.18Å; P181-Y392 HydrophobicContact CB-CE2 3.92Å; P181-Y392 HydrophobicContact CG-CD2 4.17Å; P181-Y392 HydrophobicContact CG-CE2 3.99Å |
| 182 | P | 86.6 | Confident | 87.8 | Confident | 59 Ų | 59 | 25.1 Ų | 25.1 | 38% | 0.383 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 150.1 | 170.9 | 29.5 | -35.9 | 0 | 0 | 0 | 110.7 | T184 Y392 | P182-T184 VanDerWaalsContact C-N 3.32Å; P182-T184 PolarHBondContact O-N 3.41Å; P182-Y392 VanDerWaalsContact CD-OH 3.29Å; P182-Y392 WeakPolarHBondContact CD-OH 3.2Å |
| 183 | G | 85.1 | Confident | 87.9 | Confident | 36 Ų | 36 | 22.8 Ų | 22.8 | 37% | 0.371 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 8.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G185 G346 A347 | G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G346 WeakPolarHBondContact O-CA 3.5Å; G183-G346 PolarHBondContact O-N 2.84Å; G183-G346 VanDerWaalsContact O-N 3.09Å; G183-A347 PolarHBondContact O-N 2.98Å; G183-A347 VanDerWaalsContact O-N 3.16Å |
| 184 | T | 86.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 21.9 Ų | 21.9 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -85.5 | -3.1 | 174.9 | 60 | 0 | 0 | 0 | 0 | 114.2 | P181 P182 I307 L309 | P181-T184 HydrophobicContact CB-CG2 4.08Å; P181-T184 HydrophobicContact CG-CG2 4.35Å; P181-T184 PolarHBondContact O-OG1 3.29Å; P181-T184 VanDerWaalsContact O-OG1 3.13Å; P182-T184 VanDerWaalsContact C-N 3.32Å; P182-T184 PolarHBondContact O-N 3.41Å; T184-I307 WeakPolarHBondContact OG1-CG2 3.22Å; T184-L309 HydrophobicContact CG2-CD2 4.28Å |
| 185 | G | 86.3 | Confident | 87.9 | Confident | 21 Ų | 21 | 20.3 Ų | 20.3 | 22% | 0.216 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 96.1 | 23.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G183 T187 L188 L189 | G183-G185 VanDerWaalsContact C-N 3.34Å; G185-T187 PolarHBondContact O-N 3.4Å; G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 3.4Å; G185-L188 VanDerWaalsContact O-N 3.11Å; G185-L189 WeakPolarHBondContact O-CB 3.4Å; G185-L189 PolarHBondContact O-N 3.32Å |
| 186 | K | 88.7 | Confident | 87.8 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.4 | -49.1 | 178.3 | -42.2 | -170 | -173.4 | 145.8 | 0 | 113.1 | L178 G180 L188 L189 A190 A284 T285 N286 I307 | L178-K186 HydrophobicContact CB-CB 4.37Å; L178-K186 HydrophobicContact CB-CD 4.47Å; L178-K186 HydrophobicContact CD1-CB 4.49Å; G180-K186 VanDerWaalsContact C-NZ 3.28Å; G180-K186 VanDerWaalsContact N-CE 3.31Å; G180-K186 VanDerWaalsContact N-NZ 3.17Å; G180-K186 WeakPolarHBondContact O-CE 3.28Å; G180-K186 PolarHBondContact O-NZ 2.93Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.23Å; K186-L189 PolarHBondContact O-N 3.45Å; K186-A190 PolarHBondContact O-N 2.79Å; K186-A190 VanDerWaalsContact O-N 3.12Å; K186-A284 HydrophobicContact CB-CB 4.27Å; K186-T285 PolarHBondContact NZ-O 3.36Å; K186-N286 PolarHBondContact NZ-OD1 3.24Å; K186-I307 HydrophobicContact CB-CD1 4.06Å; K186-I307 HydrophobicContact CD-CD1 4.47Å; K186-I307 HydrophobicContact CG-CD1 3.73Å |
| 187 | T | 86.4 | Confident | 87.4 | Confident | 43 Ų | 43 | 26.7 Ų | 26.7 | 26% | 0.264 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 176.3 | -43.4 | 0 | 0 | 0 | 0 | 111.8 | G185 R191 F237 D239 | G185-T187 PolarHBondContact O-N 3.4Å; T187-R191 WeakPolarHBondContact O-CB 3.42Å; T187-R191 WeakPolarHBondContact O-CG 3.48Å; T187-R191 PolarHBondContact O-N 2.9Å; T187-R191 VanDerWaalsContact O-N 3.12Å; T187-F237 HydrophobicContact CG2-CE1 3.94Å; T187-F237 HydrophobicContact CG2-CZ 4.21Å; T187-D239 VanDerWaalsContact CG2-OD2 3.32Å; T187-D239 WeakPolarHBondContact CG2-OD2 3.41Å; T187-D239 PolarHBondContact OG1-OD2 3.31Å |
| 188 | L | 88.4 | Confident | 87 | Confident | 68 Ų | 68 | 34 Ų | 34 | 36% | 0.356 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.6 | -42 | 177.3 | -171.7 | 73.9 | 0 | 0 | 0 | 111.1 | V136 V141 G185 K186 R191 A192 | V136-L188 HydrophobicContact CG1-CD1 3.8Å; V136-L188 HydrophobicContact CG1-CG 4.29Å; V136-L188 HydrophobicContact CG2-CD1 4.41Å; V141-L188 HydrophobicContact CG2-CD2 3.97Å; V141-L188 HydrophobicContact CG2-CG 4.12Å; G185-L188 WeakPolarHBondContact O-CB 3.28Å; G185-L188 PolarHBondContact O-N 3.4Å; G185-L188 VanDerWaalsContact O-N 3.11Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.23Å; L188-R191 PolarHBondContact O-N 3.39Å; L188-A192 WeakPolarHBondContact O-CB 3.29Å; L188-A192 PolarHBondContact O-N 2.94Å |
| 189 | L | 89.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 180 | -168.8 | 158.3 | 0 | 0 | 0 | 110.7 | L144 Q147 I148 L151 L178 G185 K186 R191 A192 V193 I307 | L144-L189 HydrophobicContact CB-CD1 4.5Å; L144-L189 HydrophobicContact CD1-CD1 4.13Å; Q147-L189 HydrophobicContact CB-CD1 4.27Å; I148-L189 HydrophobicContact CG1-CD1 4.15Å; I148-L189 HydrophobicContact CG1-CG 4.34Å; L151-L189 HydrophobicContact CB-CD2 4.32Å; L151-L189 HydrophobicContact CD2-CD2 3.05Å; L151-L189 HydrophobicContact CG-CD2 4.27Å; L178-L189 HydrophobicContact CD1-CD2 4.39Å; G185-L189 WeakPolarHBondContact O-CB 3.4Å; G185-L189 PolarHBondContact O-N 3.32Å; K186-L189 PolarHBondContact O-N 3.45Å; L189-R191 PolarHBondContact O-N 3.06Å; L189-A192 PolarHBondContact O-N 3.01Å; L189-V193 PolarHBondContact O-N 3.31Å; L189-V193 VanDerWaalsContact O-N 3.11Å; L189-I307 HydrophobicContact CD1-CD1 4.3Å |
| 190 | A | 86.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | K186 V193 A194 F237 I282 | K186-A190 PolarHBondContact O-N 2.79Å; K186-A190 VanDerWaalsContact O-N 3.12Å; A190-V193 PolarHBondContact O-N 2.87Å; A190-A194 PolarHBondContact O-N 2.81Å; A190-A194 VanDerWaalsContact O-N 3.09Å; A190-F237 HydrophobicContact CB-CD1 4.5Å; A190-F237 HydrophobicContact CB-CD2 3.29Å; A190-F237 HydrophobicContact CB-CE1 4.47Å; A190-F237 HydrophobicContact CB-CE2 3.27Å; A190-F237 HydrophobicContact CB-CG 3.96Å; A190-F237 HydrophobicContact CB-CZ 3.91Å; A190-I282 HydrophobicContact CB-CD1 4.32Å; A190-I282 HydrophobicContact CB-CG2 4.44Å |
| 191 | R | 85.1 | Confident | 86.3 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.6 | -77.8 | 176.1 | 168.1 | -166.3 | -12 | 112.6 | P133 T187 L188 L189 V193 A194 S195 | P133-R191 HydrophobicContact CB-CG 4.48Å; P133-R191 WeakPolarHBondContact O-CB 3.38Å; P133-R191 WeakPolarHBondContact O-CD 3.43Å; P133-R191 WeakPolarHBondContact O-CG 3.32Å; T187-R191 WeakPolarHBondContact O-CB 3.42Å; T187-R191 WeakPolarHBondContact O-CG 3.48Å; T187-R191 PolarHBondContact O-N 2.9Å; T187-R191 VanDerWaalsContact O-N 3.12Å; L188-R191 PolarHBondContact O-N 3.39Å; L189-R191 PolarHBondContact O-N 3.06Å; R191-V193 VanDerWaalsContact C-N 3.35Å; R191-V193 PolarHBondContact O-N 3.19Å; R191-A194 PolarHBondContact O-N 3.43Å; R191-S195 WeakPolarHBondContact O-CB 3.33Å; R191-S195 PolarHBondContact O-N 2.9Å |
| 192 | A | 87.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V136 Y138 V141 L188 L189 Q196 | V136-A192 HydrophobicContact CG1-CB 4.18Å; V136-A192 WeakPolarHBondContact O-CA 3.45Å; Y138-A192 HydrophobicContact CD1-CB 4.15Å; Y138-A192 HydrophobicContact CE1-CB 4.36Å; V141-A192 HydrophobicContact CG2-CB 4.12Å; L188-A192 WeakPolarHBondContact O-CB 3.29Å; L188-A192 PolarHBondContact O-N 2.94Å; L189-A192 PolarHBondContact O-N 3.01Å; A192-Q196 PolarHBondContact O-N 2.76Å |
| 193 | V | 86.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | Y138 L151 I155 L189 A190 R191 S195 Q196 L197 I235 | Y138-V193 HydrophobicContact CE1-CG2 3.88Å; L151-V193 HydrophobicContact CD2-CB 4.45Å; L151-V193 HydrophobicContact CD2-CG2 3.56Å; L151-V193 HydrophobicContact CG-CG2 4.16Å; I155-V193 HydrophobicContact CB-CG1 4.46Å; I155-V193 HydrophobicContact CD1-CG1 4.14Å; I155-V193 HydrophobicContact CG2-CG1 4.15Å; L189-V193 PolarHBondContact O-N 3.31Å; L189-V193 VanDerWaalsContact O-N 3.11Å; A190-V193 PolarHBondContact O-N 2.87Å; R191-V193 VanDerWaalsContact C-N 3.35Å; R191-V193 PolarHBondContact O-N 3.19Å; V193-S195 PolarHBondContact O-N 2.92Å; V193-Q196 PolarHBondContact O-N 3.12Å; V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.39Å; V193-L197 WeakPolarHBondContact O-CG 3.39Å; V193-L197 PolarHBondContact O-N 3.23Å; V193-I235 HydrophobicContact CG1-CD1 4.48Å |
| 194 | A | 84.5 | Confident | 86.8 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P133 A190 R191 Q196 L197 F201 | P133-A194 HydrophobicContact CB-CB 3.89Å; P133-A194 HydrophobicContact CG-CB 4.08Å; A190-A194 PolarHBondContact O-N 2.81Å; A190-A194 VanDerWaalsContact O-N 3.09Å; R191-A194 PolarHBondContact O-N 3.43Å; A194-Q196 VanDerWaalsContact C-N 3.28Å; A194-Q196 PolarHBondContact O-N 3.21Å; A194-L197 PolarHBondContact O-N 3.45Å; A194-F201 HydrophobicContact CB-CB 3.95Å; A194-F201 HydrophobicContact CB-CD1 4.22Å; A194-F201 HydrophobicContact CB-CD2 3.33Å; A194-F201 HydrophobicContact CB-CE2 3.74Å; A194-F201 HydrophobicContact CB-CG 3.58Å; A194-F201 HydrophobicContact CB-CZ 4.34Å |
| 195 | S | 84.6 | Confident | 86.9 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -25.7 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 113.7 | V136 R191 V193 | V136-S195 WeakPolarHBondContact O-CB 3.27Å; R191-S195 WeakPolarHBondContact O-CB 3.33Å; R191-S195 PolarHBondContact O-N 2.9Å; V193-S195 PolarHBondContact O-N 2.92Å |
| 196 | Q | 85.2 | Confident | 86.9 | Confident | 105 Ų | 105 | 34.7 Ų | 34.7 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -84.6 | -33.7 | -179.9 | -170.1 | 75.4 | 19.4 | 0 | 0 | 112.4 | Y138 A192 V193 A194 | Y138-Q196 HydrophobicContact CD2-CB 4.38Å; Y138-Q196 HydrophobicContact CD2-CG 4.16Å; Y138-Q196 HydrophobicContact CE2-CB 3.72Å; Y138-Q196 HydrophobicContact CE2-CG 3.59Å; A192-Q196 PolarHBondContact O-N 2.76Å; V193-Q196 PolarHBondContact O-N 3.12Å; A194-Q196 VanDerWaalsContact C-N 3.28Å; A194-Q196 PolarHBondContact O-N 3.21Å |
| 197 | L | 83.5 | Confident | 86.8 | Confident | 31 Ų | 31 | 37.5 Ų | 37.5 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -83.5 | -11.7 | -173.1 | -66.7 | 176.5 | 0 | 0 | 0 | 113.5 | I155 E156 L159 V193 A194 V199 I235 | I155-L197 HydrophobicContact CG2-CD1 3.62Å; E156-L197 HydrophobicContact CB-CD2 3.83Å; E156-L197 HydrophobicContact CG-CD2 3.54Å; L159-L197 HydrophobicContact CD1-CD1 4.39Å; V193-L197 HydrophobicContact CG1-CD1 3.68Å; V193-L197 HydrophobicContact CG1-CG 4.39Å; V193-L197 WeakPolarHBondContact O-CG 3.39Å; V193-L197 PolarHBondContact O-N 3.23Å; A194-L197 PolarHBondContact O-N 3.45Å; L197-V199 HydrophobicContact CB-CG1 4.05Å; L197-V199 HydrophobicContact CB-CG2 3.87Å; L197-V199 WeakPolarHBondContact O-CG1 3.25Å; L197-V199 PolarHBondContact O-N 2.84Å; L197-V199 VanDerWaalsContact O-N 3.16Å; L197-I235 HydrophobicContact CD1-CD1 3.96Å |
| 198 | D | 83.7 | Confident | 86.6 | Confident | 152 Ų | 152 | 38.1 Ų | 38.1 | 81% | 0.813 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 37.9 | -175 | -68.1 | -31.5 | 0 | 0 | 0 | 112.7 | ||
| 199 | V | 84.1 | Confident | 86.5 | Confident | 26 Ų | 26 | 35.1 Ų | 35.1 | 16% | 0.158 | 20% | 0.201 | C | C | . | . | trans | -105.9 | 158.4 | 178.6 | -63 | 0 | 0 | 0 | 0 | 111.6 | L197 F201 P233 I235 | L197-V199 HydrophobicContact CB-CG1 4.05Å; L197-V199 HydrophobicContact CB-CG2 3.87Å; L197-V199 WeakPolarHBondContact O-CG1 3.25Å; L197-V199 PolarHBondContact O-N 2.84Å; L197-V199 VanDerWaalsContact O-N 3.16Å; V199-F201 PolarHBondContact O-N 2.95Å; V199-F201 VanDerWaalsContact O-N 3.14Å; V199-P233 HydrophobicContact CG1-CB 4.17Å; V199-P233 HydrophobicContact CG1-CG 3.86Å; V199-I235 HydrophobicContact CG2-CD1 3.45Å; V199-I235 VanDerWaalsContact CG2-CD1 3.45Å; V199-I235 HydrophobicContact CG2-CG1 3.78Å | ||
| 200 | N | 86.7 | Confident | 86.2 | Confident | 77 Ų | 77 | 37.7 Ų | 37.7 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 118.8 | 177.8 | -65.8 | -41.1 | 0 | 0 | 0 | 110.4 | H231 P233 C234 I235 | N200-H231 PolarHBondContact ND2-O 3.04Å; N200-P233 PolarHBondContact N-O 3.38Å; N200-C234 HydrophobicContact CB-CB 4.2Å; N200-C234 CarbonylContact O-C 3.54Å; N200-C234 VanDerWaalsContact O-CA 3.29Å; N200-C234 WeakPolarHBondContact O-CA 3.46Å; N200-C234 PolarHBondContact O-SG 3.48Å; N200-I235 PolarHBondContact O-N 2.93Å |
| 201 | F | 89.3 | Confident | 86.1 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.044 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.8 | -177.8 | -177.1 | -109.5 | 0 | 0 | 0 | 110.2 | P133 A194 V199 K203 I235 F237 | P133-F201 HydrophobicContact CB-CD1 3.96Å; P133-F201 HydrophobicContact CB-CE1 4.24Å; P133-F201 HydrophobicContact CG-CD1 4.42Å; A194-F201 HydrophobicContact CB-CB 3.95Å; A194-F201 HydrophobicContact CB-CD1 4.22Å; A194-F201 HydrophobicContact CB-CD2 3.33Å; A194-F201 HydrophobicContact CB-CE2 3.74Å; A194-F201 HydrophobicContact CB-CG 3.58Å; A194-F201 HydrophobicContact CB-CZ 4.34Å; V199-F201 PolarHBondContact O-N 2.95Å; V199-F201 VanDerWaalsContact O-N 3.14Å; F201-K203 HydrophobicContact CD1-CB 4.18Å; F201-K203 HydrophobicContact CE1-CB 3.68Å; F201-K203 HydrophobicContact CE1-CG 4.32Å; F201-K203 HydrophobicContact CZ-CB 4.43Å; F201-I235 HydrophobicContact CD2-CB 4.13Å; F201-I235 HydrophobicContact CD2-CG2 4Å; F201-I235 HydrophobicContact CE2-CG2 4.16Å; F201-F237 HydrophobicContact CD2-CB 4.48Å; F201-F237 HydrophobicContact CE1-CB 4.46Å; F201-F237 HydrophobicContact CE2-CB 3.43Å; F201-F237 VanDerWaalsContact CE2-CB 3.43Å; F201-F237 HydrophobicContact CE2-CG 4.21Å; F201-F237 HydrophobicContact CZ-CB 3.41Å; F201-F237 VanDerWaalsContact CZ-CB 3.41Å; F201-F237 HydrophobicContact CZ-CD1 4.03Å; F201-F237 AromaticContact CZ-CG 3.85Å; F201-F237 HydrophobicContact CZ-CG 3.85Å |
| 202 | L | 89.8 | Confident | 86 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 105.9 | 172.6 | -73.4 | 171.8 | 0 | 0 | 0 | 108.7 | V125 M128 M224 Y227 A228 I235 I236 F237 | V125-L202 HydrophobicContact CG1-CD2 4.39Å; M128-L202 HydrophobicContact CB-CD2 4.22Å; L202-M224 HydrophobicContact CD1-CG 4.17Å; L202-Y227 HydrophobicContact CD1-CD1 4.05Å; L202-Y227 HydrophobicContact CD2-CD1 3.92Å; L202-Y227 HydrophobicContact CD2-CE1 3.96Å; L202-Y227 HydrophobicContact CG-CD1 4.38Å; L202-A228 HydrophobicContact CD1-CB 3.97Å; L202-I235 PolarHBondContact N-O 3.36Å; L202-I236 HydrophobicContact CB-CG1 4.47Å; L202-I236 HydrophobicContact CD1-CG1 4.06Å; L202-F237 PolarHBondContact O-N 3.44Å |
| 203 | K | 90.6 | Very high | 85.9 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 14% | 0.135 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.1 | 172.8 | -176.4 | 176.2 | 156.2 | -125.6 | 0 | 109.6 | M128 E131 F201 F237 | M128-K203 WeakPolarHBondContact CB-O 3.41Å; M128-K203 WeakPolarHBondContact CG-O 3.42Å; M128-K203 PolarHBondContact O-N 3.45Å; E131-K203 IonicContact OE2-NZ 3.31Å; E131-K203 PolarHBondContact OE2-NZ 3.21Å; F201-K203 HydrophobicContact CD1-CB 4.18Å; F201-K203 HydrophobicContact CE1-CB 3.68Å; F201-K203 HydrophobicContact CE1-CG 4.32Å; F201-K203 HydrophobicContact CZ-CB 4.43Å; K203-F237 HydrophobicContact CG-CD1 4.22Å |
| 204 | V | 89.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.8 | 179.7 | -166.6 | 0 | 0 | 0 | 0 | 109.6 | M128 I209 M224 F237 M238 D239 | M128-V204 HydrophobicContact CE-CG1 4.04Å; M128-V204 HydrophobicContact CG-CG2 4.35Å; M128-V204 HydrophobicContact SD-CB 4.38Å; M128-V204 HydrophobicContact SD-CG1 4.02Å; M128-V204 HydrophobicContact SD-CG2 3.69Å; V204-I209 HydrophobicContact CG1-CD1 3.37Å; V204-I209 HydrophobicContact CG1-CG1 3.48Å; V204-I209 VanDerWaalsContact CG1-CG1 3.48Å; V204-M224 HydrophobicContact CG2-SD 3.75Å; V204-F237 PolarHBondContact N-O 3.24Å; V204-M238 WeakPolarHBondContact O-CA 3.11Å; V204-D239 PolarHBondContact O-N 3.18Å |
| 205 | V | 88.7 | Confident | 85.7 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 35% | 0.352 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.2 | 168.9 | -174.8 | 0 | 0 | 0 | 0 | 106.9 | S207 G208 | V205-S207 WeakPolarHBondContact CG1-OG 3.5Å; V205-S207 PolarHBondContact O-N 3.15Å; V205-S207 VanDerWaalsContact O-N 3.15Å; V205-G208 PolarHBondContact O-N 2.81Å |
| 206 | S | 86.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -59.8 | -30.8 | -171.1 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | G208 I209 D239 E240 I241 I244 | S206-G208 VanDerWaalsContact C-N 3.32Å; S206-G208 PolarHBondContact O-N 2.97Å; S206-I209 PolarHBondContact O-N 3.08Å; S206-D239 VanDerWaalsContact CB-O 3.28Å; S206-D239 WeakPolarHBondContact CB-O 3.39Å; S206-D239 PolarHBondContact N-O 3.04Å; S206-D239 PolarHBondContact OG-O 2.62Å; S206-E240 VanDerWaalsContact CB-O 3.25Å; S206-E240 WeakPolarHBondContact CB-O 3.38Å; S206-E240 PolarHBondContact OG-O 3.49Å; S206-I241 WeakPolarHBondContact OG-CA 3.31Å; S206-I244 WeakPolarHBondContact O-CG2 3.13Å |
| 207 | S | 85.5 | Confident | 86 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -69.3 | -25.6 | 174.7 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | V205 I209 | V205-S207 WeakPolarHBondContact CG1-OG 3.5Å; V205-S207 PolarHBondContact O-N 3.15Å; V205-S207 VanDerWaalsContact O-N 3.15Å; S207-I209 VanDerWaalsContact C-N 3.32Å; S207-I209 PolarHBondContact O-N 2.83Å |
| 208 | G | 83.7 | Confident | 86.3 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 58% | 0.577 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -78.5 | -12.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V205 S206 | V205-G208 PolarHBondContact O-N 2.81Å; S206-G208 VanDerWaalsContact C-N 3.32Å; S206-G208 PolarHBondContact O-N 2.97Å |
| 209 | I | 85.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -81.3 | -26.7 | 178 | -51.2 | 176.2 | 0 | 0 | 0 | 111 | V204 S206 S207 D211 S217 L220 I221 I244 T262 | V204-I209 HydrophobicContact CG1-CD1 3.37Å; V204-I209 HydrophobicContact CG1-CG1 3.48Å; V204-I209 VanDerWaalsContact CG1-CG1 3.48Å; S206-I209 PolarHBondContact O-N 3.08Å; S207-I209 VanDerWaalsContact C-N 3.32Å; S207-I209 PolarHBondContact O-N 2.83Å; I209-D211 PolarHBondContact O-N 2.82Å; I209-S217 WeakPolarHBondContact O-CB 3.44Å; I209-S217 PolarHBondContact O-OG 3.36Å; I209-L220 HydrophobicContact CB-CD2 4.39Å; I209-L220 HydrophobicContact CG2-CD2 3.96Å; I209-L220 HydrophobicContact CG2-CG 4.45Å; I209-I221 HydrophobicContact CG2-CD1 4.34Å; I209-I221 HydrophobicContact CG2-CG1 3.93Å; I209-I244 HydrophobicContact CD1-CD1 4.42Å; I209-T262 HydrophobicContact CG2-CG2 4.46Å |
| 210 | V | 84 | Confident | 86.9 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 35% | 0.345 | 27% | 0.269 | S | S | . | . | trans | -80.7 | 108.2 | -173 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I244 I259 | V210-I244 HydrophobicContact CG2-CG2 3.64Å; V210-I259 HydrophobicContact CG1-CG1 4.25Å | ||
| 211 | D | 83.8 | Confident | 87 | Confident | 62 Ų | 62 | 47.1 Ų | 47.1 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | trans | -102.7 | 160.5 | 173 | -155.1 | -17.2 | 0 | 0 | 0 | 110.9 | I209 Y213 E216 S217 | I209-D211 PolarHBondContact O-N 2.82Å; D211-Y213 VanDerWaalsContact C-N 3.25Å; D211-Y213 PolarHBondContact O-N 3.09Å; D211-E216 HydrophobicContact CB-CB 4.35Å; D211-E216 HydrophobicContact CB-CG 4.35Å; D211-S217 PolarHBondContact N-OG 3.12Å | ||
| 212 | K | 83.5 | Confident | 87 | Confident | 160 Ų | 160 | 51.8 Ų | 51.8 | 70% | 0.696 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -76 | -11.6 | 175.8 | 64.6 | -177.7 | 175.6 | -175.8 | 0 | 113.4 | ||
| 213 | Y | 84.4 | Confident | 86.9 | Confident | 141 Ų | 141 | 54.3 Ų | 54.3 | 55% | 0.553 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -90.1 | 120.6 | -176.9 | -65.9 | -72.8 | 0 | 0 | 0 | 110.8 | D211 G215 E216 | D211-Y213 VanDerWaalsContact C-N 3.25Å; D211-Y213 PolarHBondContact O-N 3.09Å; Y213-G215 PolarHBondContact O-N 3.4Å; Y213-E216 WeakPolarHBondContact O-CB 3.48Å; Y213-E216 PolarHBondContact O-N 3.11Å |
| 214 | I | 82.6 | Confident | 86.9 | Confident | 153 Ų | 153 | 53 Ų | 53 | 79% | 0.785 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 112.9 | -173.8 | -59.7 | 171.5 | 0 | 0 | 0 | 111.5 | E216 E258 | I214-E216 VanDerWaalsContact C-N 3.32Å; I214-E258 VanDerWaalsContact CA-OE1 3.31Å; I214-E258 WeakPolarHBondContact CA-OE1 3.3Å |
| 215 | G | 85 | Confident | 86.9 | Confident | 19 Ų | 19 | 53 Ų | 53 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 0.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y213 A218 R219 E258 | Y213-G215 PolarHBondContact O-N 3.4Å; G215-A218 PolarHBondContact O-N 3.28Å; G215-R219 PolarHBondContact O-N 3.47Å; G215-R219 VanDerWaalsContact O-N 3.12Å; G215-E258 PolarHBondContact N-OE1 2.94Å |
| 216 | E | 88 | Confident | 86.9 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 173.8 | -171.7 | 51.9 | -136 | 0 | 0 | 110.8 | D211 Y213 I214 A218 R219 L220 | D211-E216 HydrophobicContact CB-CB 4.35Å; D211-E216 HydrophobicContact CB-CG 4.35Å; Y213-E216 WeakPolarHBondContact O-CB 3.48Å; Y213-E216 PolarHBondContact O-N 3.11Å; I214-E216 VanDerWaalsContact C-N 3.32Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.2Å; E216-R219 WeakPolarHBondContact O-CA 3.32Å; E216-R219 VanDerWaalsContact O-CB 3.29Å; E216-R219 WeakPolarHBondContact O-CB 3.43Å; E216-R219 PolarHBondContact O-N 2.9Å; E216-R219 IonicContact OE1-CZ 3.35Å; E216-R219 IonicContact OE1-NE 3.39Å; E216-R219 PolarHBondContact OE1-NE 3.37Å; E216-R219 IonicContact OE1-NH2 2.76Å; E216-R219 PolarHBondContact OE1-NH2 3.2Å; E216-R219 IonicContact OE2-CZ 2.94Å; E216-R219 IonicContact OE2-NE 3.07Å; E216-R219 PolarHBondContact OE2-NE 3.06Å; E216-R219 VanDerWaalsContact OE2-NE 3.15Å; E216-R219 IonicContact OE2-NH2 3.81Å; E216-R219 PolarHBondContact OE2-NH2 2.94Å; E216-R219 VanDerWaalsContact OE2-NH2 3.08Å; E216-L220 PolarHBondContact O-N 2.97Å |
| 217 | S | 89.1 | Confident | 87 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.7 | -40.8 | 174.9 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | I209 D211 L220 I221 T262 | I209-S217 WeakPolarHBondContact O-CB 3.44Å; I209-S217 PolarHBondContact O-OG 3.36Å; D211-S217 PolarHBondContact N-OG 3.12Å; S217-L220 PolarHBondContact O-N 3.1Å; S217-I221 PolarHBondContact O-N 3.17Å; S217-T262 VanDerWaalsContact CB-OG1 3.22Å; S217-T262 WeakPolarHBondContact CB-OG1 3.47Å |
| 218 | A | 89.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.5 | -25.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G215 E216 R222 E265 | G215-A218 PolarHBondContact O-N 3.28Å; E216-A218 VanDerWaalsContact C-N 3.26Å; E216-A218 PolarHBondContact O-N 3.2Å; A218-R222 WeakPolarHBondContact O-CG 3.47Å; A218-R222 PolarHBondContact O-N 3.4Å; A218-R222 PolarHBondContact O-NE 3.26Å; A218-E265 HydrophobicContact CB-CB 4.23Å; A218-E265 HydrophobicContact CB-CG 4.29Å |
| 219 | R | 88.9 | Confident | 87.4 | Confident | 112 Ų | 112 | 50 Ų | 50 | 42% | 0.423 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -46.7 | 169.3 | -178.7 | 175.7 | 72.7 | 159.8 | 5.5 | 110.1 | G215 E216 I221 R222 E223 | G215-R219 PolarHBondContact O-N 3.47Å; G215-R219 VanDerWaalsContact O-N 3.12Å; E216-R219 WeakPolarHBondContact O-CA 3.32Å; E216-R219 VanDerWaalsContact O-CB 3.29Å; E216-R219 WeakPolarHBondContact O-CB 3.43Å; E216-R219 PolarHBondContact O-N 2.9Å; E216-R219 IonicContact OE1-CZ 3.35Å; E216-R219 IonicContact OE1-NE 3.39Å; E216-R219 PolarHBondContact OE1-NE 3.37Å; E216-R219 IonicContact OE1-NH2 2.76Å; E216-R219 PolarHBondContact OE1-NH2 3.2Å; E216-R219 IonicContact OE2-CZ 2.94Å; E216-R219 IonicContact OE2-NE 3.07Å; E216-R219 PolarHBondContact OE2-NE 3.06Å; E216-R219 VanDerWaalsContact OE2-NE 3.15Å; E216-R219 IonicContact OE2-NH2 3.81Å; E216-R219 PolarHBondContact OE2-NH2 2.94Å; E216-R219 VanDerWaalsContact OE2-NH2 3.08Å; R219-I221 VanDerWaalsContact C-N 3.34Å; R219-I221 PolarHBondContact O-N 3.49Å; R219-R222 WeakPolarHBondContact O-CB 3.49Å; R219-R222 PolarHBondContact O-N 3.49Å; R219-R222 VanDerWaalsContact O-N 3.09Å; R219-E223 HydrophobicContact CG-CG 4.41Å; R219-E223 PolarHBondContact O-N 3.47Å |
| 220 | L | 90.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | -178.8 | -173.6 | 61.2 | 0 | 0 | 0 | 112.3 | L124 V125 M128 I209 E216 S217 R222 E223 M224 | L124-L220 HydrophobicContact CB-CD1 3.93Å; L124-L220 HydrophobicContact CD1-CD1 4.24Å; L124-L220 HydrophobicContact CD1-CD2 4.16Å; V125-L220 HydrophobicContact CG2-CD1 3.66Å; M128-L220 HydrophobicContact CE-CD2 4.27Å; I209-L220 HydrophobicContact CB-CD2 4.39Å; I209-L220 HydrophobicContact CG2-CD2 3.96Å; I209-L220 HydrophobicContact CG2-CG 4.45Å; E216-L220 PolarHBondContact O-N 2.97Å; S217-L220 PolarHBondContact O-N 3.1Å; L220-R222 PolarHBondContact O-N 2.93Å; L220-E223 PolarHBondContact O-N 2.97Å; L220-M224 WeakPolarHBondContact O-CB 3.5Å; L220-M224 PolarHBondContact O-N 2.73Å |
| 221 | I | 90.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.2 | -68.6 | -173 | 0 | 0 | 0 | 111.6 | I209 S217 R219 E223 M224 F225 T262 E265 L266 Q269 | I209-I221 HydrophobicContact CG2-CD1 4.34Å; I209-I221 HydrophobicContact CG2-CG1 3.93Å; S217-I221 PolarHBondContact O-N 3.17Å; R219-I221 VanDerWaalsContact C-N 3.34Å; R219-I221 PolarHBondContact O-N 3.49Å; I221-E223 VanDerWaalsContact C-N 3.35Å; I221-E223 PolarHBondContact O-N 3.29Å; I221-M224 HydrophobicContact CG2-CE 4.47Å; I221-M224 PolarHBondContact O-N 3.48Å; I221-F225 HydrophobicContact CG2-CD2 3.93Å; I221-F225 HydrophobicContact CG2-CE2 3.95Å; I221-F225 WeakPolarHBondContact O-CD2 3.48Å; I221-F225 PolarHBondContact O-N 3.25Å; I221-F225 VanDerWaalsContact O-N 3.08Å; I221-T262 HydrophobicContact CD1-CG2 3.33Å; I221-T262 HydrophobicContact CG1-CG2 4.24Å; I221-E265 HydrophobicContact CG2-CG 4.38Å; I221-L266 HydrophobicContact CD1-CB 4.06Å; I221-L266 HydrophobicContact CG2-CB 4.37Å; I221-L266 HydrophobicContact CG2-CD1 4.37Å; I221-Q269 HydrophobicContact CG2-CG 4.45Å |
| 222 | R | 88.6 | Confident | 87.7 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.5 | -73.6 | 179.7 | -71.4 | 157.5 | 0.7 | 111.7 | A218 R219 L220 F225 N226 E265 | A218-R222 WeakPolarHBondContact O-CG 3.47Å; A218-R222 PolarHBondContact O-N 3.4Å; A218-R222 PolarHBondContact O-NE 3.26Å; R219-R222 WeakPolarHBondContact O-CB 3.49Å; R219-R222 PolarHBondContact O-N 3.49Å; R219-R222 VanDerWaalsContact O-N 3.09Å; L220-R222 PolarHBondContact O-N 2.93Å; R222-F225 PolarHBondContact O-N 3.47Å; R222-N226 WeakPolarHBondContact O-CB 3.39Å; R222-N226 PolarHBondContact O-N 2.91Å; R222-N226 PolarHBondContact O-ND2 3.43Å; R222-E265 VanDerWaalsContact CD-OE1 3.25Å; R222-E265 WeakPolarHBondContact CD-OE1 3.46Å; R222-E265 HydrophobicContact CG-CG 3.89Å; R222-E265 WeakPolarHBondContact CG-OE1 3.41Å |
| 223 | E | 88.1 | Confident | 87.9 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -39 | 177.9 | -67.5 | -58.5 | 167 | 0 | 0 | 112.5 | V125 R219 L220 I221 F225 N226 Y227 | V125-E223 HydrophobicContact CG2-CB 4.34Å; R219-E223 HydrophobicContact CG-CG 4.41Å; R219-E223 PolarHBondContact O-N 3.47Å; L220-E223 PolarHBondContact O-N 2.97Å; I221-E223 VanDerWaalsContact C-N 3.35Å; I221-E223 PolarHBondContact O-N 3.29Å; E223-F225 PolarHBondContact O-N 3.47Å; E223-N226 WeakPolarHBondContact O-CB 3.3Å; E223-N226 PolarHBondContact O-N 2.88Å; E223-Y227 WeakPolarHBondContact O-CB 3.49Å; E223-Y227 PolarHBondContact O-N 3.16Å |
| 224 | M | 90 | Very high | 88.1 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 174.7 | 179.2 | -157.3 | 64.3 | 0 | 0 | 111.7 | V125 L202 V204 L220 I221 Y227 A228 I236 M238 | V125-M224 HydrophobicContact CG2-CB 4.29Å; L202-M224 HydrophobicContact CD1-CG 4.17Å; V204-M224 HydrophobicContact CG2-SD 3.75Å; L220-M224 WeakPolarHBondContact O-CB 3.5Å; L220-M224 PolarHBondContact O-N 2.73Å; I221-M224 HydrophobicContact CG2-CE 4.47Å; I221-M224 PolarHBondContact O-N 3.48Å; M224-Y227 PolarHBondContact O-N 2.92Å; M224-A228 WeakPolarHBondContact O-CB 3.5Å; M224-A228 PolarHBondContact O-N 3.22Å; M224-I236 HydrophobicContact CE-CD1 4.23Å; M224-I236 HydrophobicContact CE-CG2 4.21Å; M224-I236 HydrophobicContact SD-CG2 3.85Å; M224-M238 HydrophobicContact CE-CE 3.44Å; M224-M238 VanDerWaalsContact CE-CE 3.44Å; M224-M238 HydrophobicContact SD-CE 3.79Å |
| 225 | F | 89.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 175.4 | -85.5 | -82.5 | 0 | 0 | 0 | 112.5 | I221 R222 E223 A228 R229 I236 L266 Q269 M270 L276 M281 | I221-F225 HydrophobicContact CG2-CD2 3.93Å; I221-F225 HydrophobicContact CG2-CE2 3.95Å; I221-F225 WeakPolarHBondContact O-CD2 3.48Å; I221-F225 PolarHBondContact O-N 3.25Å; I221-F225 VanDerWaalsContact O-N 3.08Å; R222-F225 PolarHBondContact O-N 3.47Å; E223-F225 PolarHBondContact O-N 3.47Å; F225-A228 PolarHBondContact O-N 3.46Å; F225-R229 WeakPolarHBondContact O-CB 3.29Å; F225-R229 VanDerWaalsContact O-CG 3.31Å; F225-R229 WeakPolarHBondContact O-CG 3.26Å; F225-R229 PolarHBondContact O-N 3.17Å; F225-I236 HydrophobicContact CD1-CD1 4.13Å; F225-I236 HydrophobicContact CE1-CD1 4.11Å; F225-L266 HydrophobicContact CE2-CD1 3.59Å; F225-L266 HydrophobicContact CZ-CD1 3.87Å; F225-Q269 HydrophobicContact CD1-CB 4.16Å; F225-Q269 HydrophobicContact CD2-CB 3.47Å; F225-Q269 VanDerWaalsContact CD2-CB 3.47Å; F225-Q269 HydrophobicContact CD2-CG 3.82Å; F225-Q269 HydrophobicContact CE1-CB 4.2Å; F225-Q269 HydrophobicContact CE2-CB 3.54Å; F225-Q269 HydrophobicContact CE2-CG 4.26Å; F225-Q269 HydrophobicContact CG-CB 3.8Å; F225-Q269 HydrophobicContact CG-CG 4.24Å; F225-Q269 HydrophobicContact CZ-CB 3.9Å; F225-M270 HydrophobicContact CZ-CG 4.22Å; F225-L276 HydrophobicContact CD1-CD2 4.12Å; F225-L276 HydrophobicContact CE1-CD2 4.09Å; F225-M281 HydrophobicContact CE1-CE 4.35Å; F225-M281 HydrophobicContact CE1-SD 3.58Å; F225-M281 VanDerWaalsContact CE1-SD 3.58Å; F225-M281 HydrophobicContact CE2-SD 4.46Å; F225-M281 HydrophobicContact CZ-CE 3.86Å; F225-M281 HydrophobicContact CZ-SD 3.37Å; F225-M281 WeakPolarHBondContact CZ-SD 3.19Å |
| 226 | N | 87.6 | Confident | 88.7 | Confident | 34 Ų | 34 | 35 Ų | 35 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.1 | -74.3 | -26.6 | 0 | 0 | 0 | 111.8 | R119 R222 E223 R229 D230 | R119-N226 VanDerWaalsContact NH2-CB 3.35Å; R119-N226 PolarHBondContact NH2-ND2 3.3Å; R119-N226 PolarHBondContact NH2-OD1 3Å; R222-N226 WeakPolarHBondContact O-CB 3.39Å; R222-N226 PolarHBondContact O-N 2.91Å; R222-N226 PolarHBondContact O-ND2 3.43Å; E223-N226 WeakPolarHBondContact O-CB 3.3Å; E223-N226 PolarHBondContact O-N 2.88Å; N226-R229 PolarHBondContact O-N 3.04Å; N226-R229 PolarHBondContact OD1-NH1 2.98Å; N226-D230 PolarHBondContact O-N 3.43Å |
| 227 | Y | 88.9 | Confident | 89 | Confident | 28 Ų | 28 | 33 Ų | 33 | 11% | 0.11 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 176.5 | -175.1 | -92.3 | 0 | 0 | 0 | 111.5 | V121 V125 S129 L202 E223 M224 R229 D230 H231 | V121-Y227 HydrophobicContact CB-CD2 4.22Å; V121-Y227 HydrophobicContact CB-CE2 4.5Å; V121-Y227 HydrophobicContact CG1-CD2 3.37Å; V121-Y227 HydrophobicContact CG1-CE2 3.7Å; V121-Y227 HydrophobicContact CG1-CG 4.29Å; V121-Y227 HydrophobicContact CG2-CD2 3.75Å; V121-Y227 HydrophobicContact CG2-CE2 4.08Å; V125-Y227 HydrophobicContact CG1-CD1 4.07Å; V125-Y227 HydrophobicContact CG1-CD2 4.3Å; V125-Y227 HydrophobicContact CG1-CG 3.76Å; S129-Y227 PolarHBondContact OG-OH 3.27Å; L202-Y227 HydrophobicContact CD1-CD1 4.05Å; L202-Y227 HydrophobicContact CD2-CD1 3.92Å; L202-Y227 HydrophobicContact CD2-CE1 3.96Å; L202-Y227 HydrophobicContact CG-CD1 4.38Å; E223-Y227 WeakPolarHBondContact O-CB 3.49Å; E223-Y227 PolarHBondContact O-N 3.16Å; M224-Y227 PolarHBondContact O-N 2.92Å; Y227-R229 VanDerWaalsContact C-N 3.29Å; Y227-R229 PolarHBondContact O-N 3.34Å; Y227-D230 PolarHBondContact O-N 3.24Å; Y227-H231 AromaticContact CD1-ND1 3.88Å; Y227-H231 AromaticContact CD2-CE1 3.56Å; Y227-H231 AromaticContact CD2-ND1 3.61Å; Y227-H231 AromaticContact CE1-ND1 3.82Å; Y227-H231 AromaticContact CE2-CE1 3.21Å; Y227-H231 WeakPolarHBondContact CE2-CE1 3.34Å; Y227-H231 AromaticContact CE2-ND1 3.53Å; Y227-H231 AromaticContact CE2-NE2 3.96Å; Y227-H231 AromaticContact CG-ND1 3.82Å; Y227-H231 AromaticContact CZ-CE1 3.62Å; Y227-H231 AromaticContact CZ-ND1 3.66Å; Y227-H231 WeakPolarHBondContact O-CB 3.43Å; Y227-H231 PolarHBondContact O-N 3.21Å; Y227-H231 PolarHBondContact O-ND1 3.49Å |
| 228 | A | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.4 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L202 M224 F225 Q232 C234 I236 V279 | L202-A228 HydrophobicContact CD1-CB 3.97Å; M224-A228 WeakPolarHBondContact O-CB 3.5Å; M224-A228 PolarHBondContact O-N 3.22Å; F225-A228 PolarHBondContact O-N 3.46Å; A228-Q232 WeakPolarHBondContact O-CG 3.42Å; A228-C234 HydrophobicContact CB-CB 4.27Å; A228-I236 HydrophobicContact CB-CD1 3.75Å; A228-I236 HydrophobicContact CB-CG1 4.09Å; A228-V279 HydrophobicContact CB-CG1 4.02Å; A228-V279 HydrophobicContact CB-CG2 4.28Å |
| 229 | R | 87.5 | Confident | 89.2 | Confident | 56 Ų | 56 | 34 Ų | 34 | 21% | 0.211 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.3 | -37.5 | 175.4 | -74.7 | -179.4 | -163.3 | 120.4 | 2.3 | 112.4 | F225 N226 Y227 H231 Q232 | F225-R229 WeakPolarHBondContact O-CB 3.29Å; F225-R229 VanDerWaalsContact O-CG 3.31Å; F225-R229 WeakPolarHBondContact O-CG 3.26Å; F225-R229 PolarHBondContact O-N 3.17Å; N226-R229 PolarHBondContact O-N 3.04Å; N226-R229 PolarHBondContact OD1-NH1 2.98Å; Y227-R229 VanDerWaalsContact C-N 3.29Å; Y227-R229 PolarHBondContact O-N 3.34Å; R229-H231 VanDerWaalsContact C-N 3.33Å; R229-Q232 WeakPolarHBondContact O-CG 3.3Å; R229-Q232 PolarHBondContact O-NE2 3.17Å; R229-Q232 VanDerWaalsContact O-NE2 3.08Å |
| 230 | D | 86.9 | Confident | 89.2 | Confident | 89 Ų | 89 | 32.7 Ų | 32.7 | 48% | 0.476 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -72.6 | -28.3 | 179 | -70 | -9.8 | 0 | 0 | 0 | 111.8 | R119 N226 Y227 | R119-D230 IonicContact CZ-OD2 3.8Å; R119-D230 IonicContact NE-OD2 2.66Å; R119-D230 IonicContact NH1-OD1 2.62Å; R119-D230 PolarHBondContact NH1-OD1 3.11Å; R119-D230 IonicContact NH1-OD2 3.08Å; R119-D230 PolarHBondContact NH1-OD2 3.31Å; N226-D230 PolarHBondContact O-N 3.43Å; Y227-D230 PolarHBondContact O-N 3.24Å |
| 231 | H | 87 | Confident | 89.2 | Confident | 71 Ų | 71 | 32.3 Ų | 32.3 | 33% | 0.329 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 39.2 | -175.6 | -63.4 | 88 | 0 | 0 | 0 | 113.7 | N200 Y227 R229 P233 | N200-H231 PolarHBondContact ND2-O 3.04Å; Y227-H231 AromaticContact CD1-ND1 3.88Å; Y227-H231 AromaticContact CD2-CE1 3.56Å; Y227-H231 AromaticContact CD2-ND1 3.61Å; Y227-H231 AromaticContact CE1-ND1 3.82Å; Y227-H231 AromaticContact CE2-CE1 3.21Å; Y227-H231 WeakPolarHBondContact CE2-CE1 3.34Å; Y227-H231 AromaticContact CE2-ND1 3.53Å; Y227-H231 AromaticContact CE2-NE2 3.96Å; Y227-H231 AromaticContact CG-ND1 3.82Å; Y227-H231 AromaticContact CZ-CE1 3.62Å; Y227-H231 AromaticContact CZ-ND1 3.66Å; Y227-H231 WeakPolarHBondContact O-CB 3.43Å; Y227-H231 PolarHBondContact O-N 3.21Å; Y227-H231 PolarHBondContact O-ND1 3.49Å; R229-H231 VanDerWaalsContact C-N 3.33Å; H231-P233 CarbonylContact O-C 3.57Å |
| 232 | Q | 85.6 | Confident | 89.1 | Confident | 77 Ų | 77 | 34.6 Ų | 34.6 | 36% | 0.36 | 16% | 0.164 | S | C | . | . | trans | -68.5 | 139.8 | 177.1 | -71.5 | 178.7 | 42.6 | 0 | 0 | 112 | A228 R229 Q278 V279 | A228-Q232 WeakPolarHBondContact O-CG 3.42Å; R229-Q232 WeakPolarHBondContact O-CG 3.3Å; R229-Q232 PolarHBondContact O-NE2 3.17Å; R229-Q232 VanDerWaalsContact O-NE2 3.08Å; Q232-Q278 HydrophobicContact CB-CB 4.27Å; Q232-V279 HydrophobicContact CG-CG2 3.81Å | ||
| 233 | P | 88.4 | Confident | 89 | Confident | 44 Ų | 44 | 31.4 Ų | 31.4 | 29% | 0.286 | 16% | 0.161 | S | C | . | . | S | Bend | cis | -75.4 | 138.2 | -0.8 | 30.6 | -35.6 | 0 | 0 | 0 | 113.5 | L159 V199 N200 H231 Q278 | L159-P233 HydrophobicContact CD2-CB 3.8Å; V199-P233 HydrophobicContact CG1-CB 4.17Å; V199-P233 HydrophobicContact CG1-CG 3.86Å; N200-P233 PolarHBondContact N-O 3.38Å; H231-P233 CarbonylContact O-C 3.57Å; P233-Q278 HydrophobicContact CB-CB 4.03Å |
| 234 | C | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141.5 | -176.1 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | N200 A228 Q278 V279 K280 | N200-C234 HydrophobicContact CB-CB 4.2Å; N200-C234 CarbonylContact O-C 3.54Å; N200-C234 VanDerWaalsContact O-CA 3.29Å; N200-C234 WeakPolarHBondContact O-CA 3.46Å; N200-C234 PolarHBondContact O-SG 3.48Å; A228-C234 HydrophobicContact CB-CB 4.27Å; C234-Q278 PolarHBondContact N-O 3.03Å; C234-Q278 VanDerWaalsContact N-O 3.14Å; C234-V279 WeakPolarHBondContact O-CA 3.32Å; C234-K280 PolarHBondContact O-N 3.43Å |
| 235 | I | 89.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.9 | 173.8 | -61.1 | 173.7 | 0 | 0 | 0 | 109.2 | I155 V193 L197 V199 N200 F201 L202 K280 I282 | I155-I235 HydrophobicContact CG2-CD1 3.57Å; I155-I235 HydrophobicContact CG2-CG1 4.15Å; V193-I235 HydrophobicContact CG1-CD1 4.48Å; L197-I235 HydrophobicContact CD1-CD1 3.96Å; V199-I235 HydrophobicContact CG2-CD1 3.45Å; V199-I235 VanDerWaalsContact CG2-CD1 3.45Å; V199-I235 HydrophobicContact CG2-CG1 3.78Å; N200-I235 PolarHBondContact O-N 2.93Å; F201-I235 HydrophobicContact CD2-CB 4.13Å; F201-I235 HydrophobicContact CD2-CG2 4Å; F201-I235 HydrophobicContact CE2-CG2 4.16Å; L202-I235 PolarHBondContact N-O 3.36Å; I235-K280 CarbonylContact C-O 3.52Å; I235-K280 WeakPolarHBondContact CA-O 3.31Å; I235-K280 HydrophobicContact CG1-CB 4.49Å; I235-I282 HydrophobicContact CG2-CD1 3.72Å; I235-I282 HydrophobicContact CG2-CG1 3.97Å |
| 236 | I | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115.1 | 171.4 | -54.4 | 176.7 | 0 | 0 | 0 | 108.2 | L202 M224 F225 A228 M238 V279 K280 M281 I282 | L202-I236 HydrophobicContact CB-CG1 4.47Å; L202-I236 HydrophobicContact CD1-CG1 4.06Å; M224-I236 HydrophobicContact CE-CD1 4.23Å; M224-I236 HydrophobicContact CE-CG2 4.21Å; M224-I236 HydrophobicContact SD-CG2 3.85Å; F225-I236 HydrophobicContact CD1-CD1 4.13Å; F225-I236 HydrophobicContact CE1-CD1 4.11Å; A228-I236 HydrophobicContact CB-CD1 3.75Å; A228-I236 HydrophobicContact CB-CG1 4.09Å; I236-M238 HydrophobicContact CG2-CE 4.15Å; I236-M238 HydrophobicContact CG2-CG 4.28Å; I236-V279 HydrophobicContact CD1-CG1 3.94Å; I236-V279 HydrophobicContact CG1-CG1 4.25Å; I236-K280 PolarHBondContact N-O 2.76Å; I236-M281 HydrophobicContact CB-CG 4.17Å; I236-M281 HydrophobicContact CB-SD 4.17Å; I236-M281 HydrophobicContact CD1-CG 4.43Å; I236-M281 HydrophobicContact CD1-SD 4.01Å; I236-M281 HydrophobicContact CG2-SD 4.34Å; I236-M281 CarbonylContact O-C 3.48Å; I236-M281 WeakPolarHBondContact O-CA 3.26Å; I236-I282 PolarHBondContact O-N 3.3Å |
| 237 | F | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 115.7 | 174 | 176.7 | -105.3 | 0 | 0 | 0 | 110.3 | T187 A190 F201 L202 K203 V204 D239 I282 A284 | T187-F237 HydrophobicContact CG2-CE1 3.94Å; T187-F237 HydrophobicContact CG2-CZ 4.21Å; A190-F237 HydrophobicContact CB-CD1 4.5Å; A190-F237 HydrophobicContact CB-CD2 3.29Å; A190-F237 HydrophobicContact CB-CE1 4.47Å; A190-F237 HydrophobicContact CB-CE2 3.27Å; A190-F237 HydrophobicContact CB-CG 3.96Å; A190-F237 HydrophobicContact CB-CZ 3.91Å; F201-F237 HydrophobicContact CD2-CB 4.48Å; F201-F237 HydrophobicContact CE1-CB 4.46Å; F201-F237 HydrophobicContact CE2-CB 3.43Å; F201-F237 VanDerWaalsContact CE2-CB 3.43Å; F201-F237 HydrophobicContact CE2-CG 4.21Å; F201-F237 HydrophobicContact CZ-CB 3.41Å; F201-F237 VanDerWaalsContact CZ-CB 3.41Å; F201-F237 HydrophobicContact CZ-CD1 4.03Å; F201-F237 AromaticContact CZ-CG 3.85Å; F201-F237 HydrophobicContact CZ-CG 3.85Å; L202-F237 PolarHBondContact O-N 3.44Å; K203-F237 HydrophobicContact CG-CD1 4.22Å; V204-F237 PolarHBondContact N-O 3.24Å; F237-D239 HydrophobicContact CE1-CB 3.69Å; F237-D239 HydrophobicContact CZ-CB 4.08Å; F237-I282 CarbonylContact C-O 3.47Å; F237-I282 WeakPolarHBondContact CA-O 3.3Å; F237-I282 HydrophobicContact CD2-CB 3.83Å; F237-I282 HydrophobicContact CD2-CG2 3.66Å; F237-I282 HydrophobicContact CE2-CG2 4Å; F237-A284 HydrophobicContact CE2-CB 3.93Å; F237-A284 HydrophobicContact CZ-CB 3.93Å |
| 238 | M | 91.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 110 | 174.9 | -67 | -174 | 171.4 | 0 | 0 | 110 | V204 M224 I236 I241 L266 I282 M283 A284 | V204-M238 WeakPolarHBondContact O-CA 3.11Å; M224-M238 HydrophobicContact CE-CE 3.44Å; M224-M238 VanDerWaalsContact CE-CE 3.44Å; M224-M238 HydrophobicContact SD-CE 3.79Å; I236-M238 HydrophobicContact CG2-CE 4.15Å; I236-M238 HydrophobicContact CG2-CG 4.28Å; M238-I241 HydrophobicContact CB-CD1 4.37Å; M238-I241 HydrophobicContact SD-CD1 3.97Å; M238-L266 HydrophobicContact CE-CD1 3.68Å; M238-L266 HydrophobicContact CE-CD2 4.41Å; M238-L266 HydrophobicContact SD-CD1 4.15Å; M238-L266 HydrophobicContact SD-CD2 3.97Å; M238-I282 PolarHBondContact N-O 2.92Å; M238-M283 HydrophobicContact CB-CG 4.33Å; M238-M283 CarbonylContact O-C 3.56Å; M238-M283 WeakPolarHBondContact O-CA 3.47Å; M238-M283 HydrophobicContact SD-CE 4.16Å; M238-A284 PolarHBondContact O-N 2.93Å |
| 239 | D | 91 | Very high | 85.2 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 150.1 | 173.5 | -143.5 | -17.1 | 0 | 0 | 0 | 110.9 | T187 V204 S206 F237 I241 | T187-D239 VanDerWaalsContact CG2-OD2 3.32Å; T187-D239 WeakPolarHBondContact CG2-OD2 3.41Å; T187-D239 PolarHBondContact OG1-OD2 3.31Å; V204-D239 PolarHBondContact O-N 3.18Å; S206-D239 VanDerWaalsContact CB-O 3.28Å; S206-D239 WeakPolarHBondContact CB-O 3.39Å; S206-D239 PolarHBondContact N-O 3.04Å; S206-D239 PolarHBondContact OG-O 2.62Å; F237-D239 HydrophobicContact CE1-CB 3.69Å; F237-D239 HydrophobicContact CZ-CB 4.08Å; D239-I241 PolarHBondContact O-N 3.27Å |
| 240 | E | 89.5 | Confident | 84.2 | Confident | 85 Ų | 85 | 53 Ų | 53 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | trans | 51.4 | 48.8 | 178.3 | -57.8 | -175.4 | 157.4 | 0 | 0 | 113.9 | S206 D242 A243 A284 | S206-E240 VanDerWaalsContact CB-O 3.25Å; S206-E240 WeakPolarHBondContact CB-O 3.38Å; S206-E240 PolarHBondContact OG-O 3.49Å; E240-D242 VanDerWaalsContact C-OD1 3.23Å; E240-D242 WeakPolarHBondContact CA-OD1 3.29Å; E240-D242 PolarHBondContact O-N 3.45Å; E240-A243 WeakPolarHBondContact O-CB 3.4Å; E240-A243 PolarHBondContact O-N 3.43Å; E240-A284 PolarHBondContact N-O 3.47Å; E240-A284 VanDerWaalsContact N-O 3.14Å | ||
| 241 | I | 90.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -59.9 | -17 | -176.9 | -169.6 | 67.5 | 0 | 0 | 0 | 113.5 | L177 S206 M238 D239 A243 I244 G245 L266 M283 A284 L291 L295 | L177-I241 HydrophobicContact CD1-CG2 4.49Å; S206-I241 WeakPolarHBondContact OG-CA 3.31Å; M238-I241 HydrophobicContact CB-CD1 4.37Å; M238-I241 HydrophobicContact SD-CD1 3.97Å; D239-I241 PolarHBondContact O-N 3.27Å; I241-A243 PolarHBondContact O-N 3.41Å; I241-I244 HydrophobicContact CD1-CD1 3.66Å; I241-I244 HydrophobicContact CD1-CG1 3.61Å; I241-I244 HydrophobicContact CG1-CG1 4.49Å; I241-I244 PolarHBondContact O-N 2.87Å; I241-G245 WeakPolarHBondContact O-CA 3.34Å; I241-G245 PolarHBondContact O-N 2.83Å; I241-L266 HydrophobicContact CD1-CD2 4.1Å; I241-M283 HydrophobicContact CD1-SD 4.09Å; I241-M283 HydrophobicContact CG1-SD 3.88Å; I241-M283 HydrophobicContact CG2-CB 4.35Å; I241-A284 PolarHBondContact N-O 3.08Å; I241-A284 VanDerWaalsContact N-O 3.12Å; I241-L291 HydrophobicContact CG2-CD1 4.29Å; I241-L291 HydrophobicContact CG2-CD2 3.86Å; I241-L295 HydrophobicContact CG1-CD1 4.49Å |
| 242 | D | 87.9 | Confident | 82.8 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -61.8 | -20.3 | 172.6 | 53.2 | -48.2 | 0 | 0 | 0 | 113.8 | E240 L291 | E240-D242 VanDerWaalsContact C-OD1 3.23Å; E240-D242 WeakPolarHBondContact CA-OD1 3.29Å; E240-D242 PolarHBondContact O-N 3.45Å; D242-L291 HydrophobicContact CB-CD2 4.28Å |
| 243 | A | 86.5 | Confident | 82.6 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -65.4 | -36 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E240 I241 | E240-A243 WeakPolarHBondContact O-CB 3.4Å; E240-A243 PolarHBondContact O-N 3.43Å; I241-A243 PolarHBondContact O-N 3.41Å |
| 244 | I | 86.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -20.1 | 179.8 | 64.3 | 175.3 | 0 | 0 | 0 | 113.4 | S206 I209 V210 I241 I259 L266 | S206-I244 WeakPolarHBondContact O-CG2 3.13Å; I209-I244 HydrophobicContact CD1-CD1 4.42Å; V210-I244 HydrophobicContact CG2-CG2 3.64Å; I241-I244 HydrophobicContact CD1-CD1 3.66Å; I241-I244 HydrophobicContact CD1-CG1 3.61Å; I241-I244 HydrophobicContact CG1-CG1 4.49Å; I241-I244 PolarHBondContact O-N 2.87Å; I244-I259 HydrophobicContact CB-CG2 4.4Å; I244-L266 HydrophobicContact CD1-CD2 3.97Å |
| 245 | G | 79.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -93.6 | 13.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I241 L291 D292 | I241-G245 WeakPolarHBondContact O-CA 3.34Å; I241-G245 PolarHBondContact O-N 2.83Å; G245-L291 CarbonylContact O-C 3.56Å; G245-L291 VanDerWaalsContact O-CA 3.32Å; G245-L291 WeakPolarHBondContact O-CA 3.44Å; G245-D292 PolarHBondContact O-N 3.16Å |
| 246 | G | 77.6 | Confident | 81.6 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -59.5 | 148.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T290 | G246-T290 CarbonylContact C-O 3.58Å; G246-T290 WeakPolarHBondContact CA-O 3.28Å |
| 247 | R | 73.1 | Confident | 81.3 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 147.9 | 175.1 | -72.4 | -176.2 | -173.6 | -169.4 | 3.2 | 112.2 | F249 D289 T290 | R247-F249 WeakPolarHBondContact O-CD2 3.33Å; R247-F249 PolarHBondContact O-N 3.06Å; R247-D289 PolarHBondContact NE-O 3.15Å; R247-D289 PolarHBondContact NH2-O 3.44Å; R247-T290 PolarHBondContact N-O 3.39Å |
| 248 | R | 70.1 | Confident | 80.9 | Confident | 162 Ų | 162 | 73.4 Ų | 73.4 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 116.8 | 175.7 | -64.2 | -177.5 | -174.4 | -166.5 | -0.7 | 111.1 | ||
| 249 | F | 67.7 | Low | 80.6 | Confident | 144 Ų | 144 | 75.3 Ų | 75.3 | 63% | 0.632 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -89.1 | 125.2 | 162.5 | -63.3 | -77.1 | 0 | 0 | 0 | 109.1 | R247 E251 | R247-F249 WeakPolarHBondContact O-CD2 3.33Å; R247-F249 PolarHBondContact O-N 3.06Å; F249-E251 PolarHBondContact O-N 3.47Å |
| 250 | T | 67.6 | Low | 80.4 | Confident | 154 Ų | 154 | 76.9 Ų | 76.9 | 95% | 0.945 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.4 | 178.4 | 4.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 251 | E | 73.4 | Confident | 80.3 | Confident | 191 Ų | 191 | 80.2 Ų | 80.2 | 89% | 0.893 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | 50.4 | 178 | -68.2 | -175.2 | 150.6 | 0 | 0 | 111.7 | F249 | F249-E251 PolarHBondContact O-N 3.47Š|
| 252 | G | 69.4 | Low | 80.2 | Confident | 18 Ų | 18 | 80.3 Ų | 80.3 | 19% | 0.186 | 41% | 0.408 | C | S | . | . | trans | -74.5 | 145.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D256 | G252-D256 WeakPolarHBondContact CA-OD2 3.37Š| ||
| 253 | T | 81.7 | Confident | 80.2 | Confident | 86 Ų | 86 | 78 Ų | 78 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | trans | -65.2 | 168.3 | 168.7 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | A255 D256 R257 | T253-A255 PolarHBondContact O-N 3.46Å; T253-D256 PolarHBondContact N-OD2 3.47Å; T253-D256 PolarHBondContact O-N 2.95Å; T253-D256 VanDerWaalsContact O-N 3.11Å; T253-D256 PolarHBondContact OG1-OD2 3.22Å; T253-R257 PolarHBondContact O-N 3.41Å | ||
| 254 | S | 81.5 | Confident | 80.3 | Confident | 100 Ų | 100 | 79.5 Ų | 79.5 | 70% | 0.699 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.2 | -29.9 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | R257 E258 | S254-R257 PolarHBondContact O-N 3.27Å; S254-E258 PolarHBondContact O-N 2.69Å |
| 255 | A | 81.2 | Confident | 80.4 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T253 R257 E258 I259 | T253-A255 PolarHBondContact O-N 3.46Å; A255-R257 VanDerWaalsContact C-N 3.26Å; A255-R257 PolarHBondContact O-N 2.94Å; A255-E258 WeakPolarHBondContact O-CB 3.4Å; A255-E258 PolarHBondContact O-N 3.26Å; A255-E258 VanDerWaalsContact O-N 3.1Å; A255-I259 PolarHBondContact O-N 3.43Å; A255-I259 VanDerWaalsContact O-N 3.09Å |
| 256 | D | 83.7 | Confident | 80.9 | Confident | 51 Ų | 51 | 81.3 Ų | 81.3 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 178.3 | -57.2 | -47.7 | 0 | 0 | 0 | 111.7 | G252 T253 E258 I259 Q260 | G252-D256 WeakPolarHBondContact CA-OD2 3.37Å; T253-D256 PolarHBondContact N-OD2 3.47Å; T253-D256 PolarHBondContact O-N 2.95Å; T253-D256 VanDerWaalsContact O-N 3.11Å; T253-D256 PolarHBondContact OG1-OD2 3.22Å; D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 3.24Å; D256-I259 PolarHBondContact O-N 2.66Å; D256-Q260 WeakPolarHBondContact O-CB 3.38Å; D256-Q260 VanDerWaalsContact O-CG 3.27Å; D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.4Å |
| 257 | R | 83.9 | Confident | 81.4 | Confident | 174 Ų | 174 | 80.2 Ų | 80.2 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.5 | -35.3 | 175.9 | -64 | -179.6 | -174.9 | -175.4 | -0.3 | 112.2 | T253 S254 A255 R261 | T253-R257 PolarHBondContact O-N 3.41Å; S254-R257 PolarHBondContact O-N 3.27Å; A255-R257 VanDerWaalsContact C-N 3.26Å; A255-R257 PolarHBondContact O-N 2.94Å; R257-R261 WeakPolarHBondContact O-CB 3.46Å; R257-R261 PolarHBondContact O-N 3.07Å |
| 258 | E | 84.7 | Confident | 82.2 | Confident | 32 Ų | 32 | 78.1 Ų | 78.1 | 15% | 0.15 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 175.8 | 176 | 157.2 | -145.2 | 0 | 0 | 111.9 | I214 G215 S254 A255 D256 Q260 R261 T262 | I214-E258 VanDerWaalsContact CA-OE1 3.31Å; I214-E258 WeakPolarHBondContact CA-OE1 3.3Å; G215-E258 PolarHBondContact N-OE1 2.94Å; S254-E258 PolarHBondContact O-N 2.69Å; A255-E258 WeakPolarHBondContact O-CB 3.4Å; A255-E258 PolarHBondContact O-N 3.26Å; A255-E258 VanDerWaalsContact O-N 3.1Å; D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 3.24Å; E258-Q260 VanDerWaalsContact C-N 3.33Å; E258-Q260 PolarHBondContact O-N 2.91Å; E258-R261 PolarHBondContact O-N 3.45Å; E258-T262 PolarHBondContact O-N 3.49Å; E258-T262 PolarHBondContact O-OG1 3.47Å |
| 259 | I | 86.4 | Confident | 83 | Confident | 42 Ų | 42 | 71.8 Ų | 71.8 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 173.9 | -63.1 | 169.7 | 0 | 0 | 0 | 110.1 | V210 I244 A255 D256 R261 T262 L263 | V210-I259 HydrophobicContact CG1-CG1 4.25Å; I244-I259 HydrophobicContact CB-CG2 4.4Å; A255-I259 PolarHBondContact O-N 3.43Å; A255-I259 VanDerWaalsContact O-N 3.09Å; D256-I259 PolarHBondContact O-N 2.66Å; I259-R261 VanDerWaalsContact C-N 3.34Å; I259-R261 PolarHBondContact O-N 3.09Å; I259-T262 WeakPolarHBondContact O-CB 3.38Å; I259-T262 PolarHBondContact O-N 3.05Å; I259-T262 VanDerWaalsContact O-N 3.14Å; I259-L263 PolarHBondContact O-N 3.24Å |
| 260 | Q | 85.5 | Confident | 83.8 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 175.9 | -76.2 | 179 | 5.4 | 0 | 0 | 112.5 | D256 E258 T262 L263 M264 | D256-Q260 WeakPolarHBondContact O-CB 3.38Å; D256-Q260 VanDerWaalsContact O-CG 3.27Å; D256-Q260 WeakPolarHBondContact O-CG 3.48Å; D256-Q260 PolarHBondContact O-N 3.4Å; E258-Q260 VanDerWaalsContact C-N 3.33Å; E258-Q260 PolarHBondContact O-N 2.91Å; Q260-T262 VanDerWaalsContact C-N 3.29Å; Q260-T262 PolarHBondContact O-N 3.04Å; Q260-L263 PolarHBondContact O-N 3.49Å; Q260-M264 VanDerWaalsContact O-CG 3.28Å; Q260-M264 WeakPolarHBondContact O-CG 3.29Å; Q260-M264 PolarHBondContact O-N 3.33Å |
| 261 | R | 87 | Confident | 84.3 | Confident | 156 Ų | 156 | 61.1 Ų | 61.1 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 175.7 | -175.1 | 176.6 | -178.5 | 170.2 | 0.6 | 111.6 | R257 E258 I259 M264 E265 | R257-R261 WeakPolarHBondContact O-CB 3.46Å; R257-R261 PolarHBondContact O-N 3.07Å; E258-R261 PolarHBondContact O-N 3.45Å; I259-R261 VanDerWaalsContact C-N 3.34Å; I259-R261 PolarHBondContact O-N 3.09Å; R261-M264 PolarHBondContact O-N 3Å; R261-E265 PolarHBondContact O-N 3.36Å |
| 262 | T | 89 | Confident | 84 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.8 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | I209 S217 I221 E258 I259 Q260 E265 L266 | I209-T262 HydrophobicContact CG2-CG2 4.46Å; S217-T262 VanDerWaalsContact CB-OG1 3.22Å; S217-T262 WeakPolarHBondContact CB-OG1 3.47Å; I221-T262 HydrophobicContact CD1-CG2 3.33Å; I221-T262 HydrophobicContact CG1-CG2 4.24Å; E258-T262 PolarHBondContact O-N 3.49Å; E258-T262 PolarHBondContact O-OG1 3.47Å; I259-T262 WeakPolarHBondContact O-CB 3.38Å; I259-T262 PolarHBondContact O-N 3.05Å; I259-T262 VanDerWaalsContact O-N 3.14Å; Q260-T262 VanDerWaalsContact C-N 3.29Å; Q260-T262 PolarHBondContact O-N 3.04Å; T262-E265 PolarHBondContact O-N 3.47Å; T262-L266 PolarHBondContact O-N 3.08Å |
| 263 | L | 88.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.8 | 178.3 | 60.8 | 0 | 0 | 0 | 112.4 | I259 Q260 E265 L266 L267 D292 L295 | I259-L263 PolarHBondContact O-N 3.24Å; Q260-L263 PolarHBondContact O-N 3.49Å; L263-E265 VanDerWaalsContact C-N 3.27Å; L263-E265 PolarHBondContact O-N 3.37Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 2.85Å; L263-L267 HydrophobicContact CD1-CD1 4.48Å; L263-L267 HydrophobicContact CD1-CG 4.34Å; L263-L267 HydrophobicContact CG-CD1 4.25Å; L263-L267 VanDerWaalsContact O-CG 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.14Å; L263-L267 PolarHBondContact O-N 3.33Å; L263-D292 HydrophobicContact CD2-CB 4.05Å; L263-L295 HydrophobicContact CD1-CD1 3.7Å; L263-L295 HydrophobicContact CD1-CD2 3.99Å; L263-L295 HydrophobicContact CD1-CG 3.9Å |
| 264 | M | 88.1 | Confident | 81.9 | Confident | 73 Ų | 73 | 64 Ų | 64 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 177.8 | -67.4 | -60.5 | 154.6 | 0 | 0 | 111.9 | Q260 R261 L267 N268 | Q260-M264 VanDerWaalsContact O-CG 3.28Å; Q260-M264 WeakPolarHBondContact O-CG 3.29Å; Q260-M264 PolarHBondContact O-N 3.33Å; R261-M264 PolarHBondContact O-N 3Å; M264-L267 PolarHBondContact O-N 3.46Å; M264-L267 HydrophobicContact SD-CD1 4.23Å; M264-N268 WeakPolarHBondContact O-CB 3.23Å; M264-N268 PolarHBondContact O-N 2.93Å |
| 265 | E | 89 | Confident | 80.9 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.4 | -172.3 | 59.4 | -144.5 | 0 | 0 | 111.5 | A218 I221 R222 R261 T262 L263 L267 N268 Q269 | A218-E265 HydrophobicContact CB-CB 4.23Å; A218-E265 HydrophobicContact CB-CG 4.29Å; I221-E265 HydrophobicContact CG2-CG 4.38Å; R222-E265 VanDerWaalsContact CD-OE1 3.25Å; R222-E265 WeakPolarHBondContact CD-OE1 3.46Å; R222-E265 HydrophobicContact CG-CG 3.89Å; R222-E265 WeakPolarHBondContact CG-OE1 3.41Å; R261-E265 PolarHBondContact O-N 3.36Å; T262-E265 PolarHBondContact O-N 3.47Å; L263-E265 VanDerWaalsContact C-N 3.27Å; L263-E265 PolarHBondContact O-N 3.37Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3.21Å; E265-N268 PolarHBondContact O-N 2.87Å; E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.22Å; E265-Q269 PolarHBondContact OE1-NE2 3.04Å |
| 266 | L | 89.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.9 | -50.2 | 173.1 | 178.9 | 55.9 | 0 | 0 | 0 | 111.4 | I221 F225 M238 I241 I244 T262 L263 N268 Q269 M270 M283 | I221-L266 HydrophobicContact CD1-CB 4.06Å; I221-L266 HydrophobicContact CG2-CB 4.37Å; I221-L266 HydrophobicContact CG2-CD1 4.37Å; F225-L266 HydrophobicContact CE2-CD1 3.59Å; F225-L266 HydrophobicContact CZ-CD1 3.87Å; M238-L266 HydrophobicContact CE-CD1 3.68Å; M238-L266 HydrophobicContact CE-CD2 4.41Å; M238-L266 HydrophobicContact SD-CD1 4.15Å; M238-L266 HydrophobicContact SD-CD2 3.97Å; I241-L266 HydrophobicContact CD1-CD2 4.1Å; I244-L266 HydrophobicContact CD1-CD2 3.97Å; T262-L266 PolarHBondContact O-N 3.08Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 2.85Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.29Å; L266-Q269 PolarHBondContact O-N 3.47Å; L266-M270 HydrophobicContact CD1-CG 4.5Å; L266-M270 HydrophobicContact CD1-SD 4.48Å; L266-M270 HydrophobicContact CG-SD 4.36Å; L266-M270 VanDerWaalsContact O-CG 3.31Å; L266-M270 WeakPolarHBondContact O-CG 3.33Å; L266-M270 PolarHBondContact O-N 3.43Å; L266-M283 HydrophobicContact CD2-CE 4.16Å |
| 267 | L | 88.4 | Confident | 79.7 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 178.7 | -68.7 | 177.1 | 0 | 0 | 0 | 112.1 | L263 M264 E265 M270 D271 A294 L295 | L263-L267 HydrophobicContact CD1-CD1 4.48Å; L263-L267 HydrophobicContact CD1-CG 4.34Å; L263-L267 HydrophobicContact CG-CD1 4.25Å; L263-L267 VanDerWaalsContact O-CG 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.14Å; L263-L267 PolarHBondContact O-N 3.33Å; M264-L267 PolarHBondContact O-N 3.46Å; M264-L267 HydrophobicContact SD-CD1 4.23Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3.21Å; L267-M270 PolarHBondContact O-N 3.28Å; L267-D271 PolarHBondContact O-N 2.96Å; L267-A294 HydrophobicContact CD1-CB 3.95Å; L267-L295 HydrophobicContact CD2-CD2 3.36Å; L267-L295 HydrophobicContact CD2-CG 3.88Å; L267-L295 HydrophobicContact CG-CD2 4.31Å |
| 268 | N | 88.4 | Confident | 79.7 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 177.8 | -169.9 | 30 | 0 | 0 | 0 | 112 | M264 E265 L266 M270 D271 G272 | M264-N268 WeakPolarHBondContact O-CB 3.23Å; M264-N268 PolarHBondContact O-N 2.93Å; E265-N268 PolarHBondContact O-N 2.87Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.29Å; N268-M270 VanDerWaalsContact C-N 3.31Å; N268-M270 PolarHBondContact O-N 3.44Å; N268-D271 PolarHBondContact O-N 3.4Å; N268-G272 WeakPolarHBondContact O-CA 3.45Å; N268-G272 PolarHBondContact O-N 3.49Å |
| 269 | Q | 87.3 | Confident | 79.9 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.2 | -29.4 | 175.8 | -66.2 | -57.1 | -39.1 | 0 | 0 | 112.9 | I221 F225 E265 L266 | I221-Q269 HydrophobicContact CG2-CG 4.45Å; F225-Q269 HydrophobicContact CD1-CB 4.16Å; F225-Q269 HydrophobicContact CD2-CB 3.47Å; F225-Q269 VanDerWaalsContact CD2-CB 3.47Å; F225-Q269 HydrophobicContact CD2-CG 3.82Å; F225-Q269 HydrophobicContact CE1-CB 4.2Å; F225-Q269 HydrophobicContact CE2-CB 3.54Å; F225-Q269 HydrophobicContact CE2-CG 4.26Å; F225-Q269 HydrophobicContact CG-CB 3.8Å; F225-Q269 HydrophobicContact CG-CG 4.24Å; F225-Q269 HydrophobicContact CZ-CB 3.9Å; E265-Q269 WeakPolarHBondContact O-CG 3.39Å; E265-Q269 PolarHBondContact O-N 3.22Å; E265-Q269 PolarHBondContact OE1-NE2 3.04Å; L266-Q269 PolarHBondContact O-N 3.47Å |
| 270 | M | 84.4 | Confident | 80 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.6 | -41.7 | 174.5 | -69.8 | -179.3 | 71.5 | 0 | 0 | 113.5 | K174 F225 L266 L267 N268 G272 L276 M281 M283 R300 L301 | K174-M270 PolarHBondContact NZ-O 2.99Å; F225-M270 HydrophobicContact CZ-CG 4.22Å; L266-M270 HydrophobicContact CD1-CG 4.5Å; L266-M270 HydrophobicContact CD1-SD 4.48Å; L266-M270 HydrophobicContact CG-SD 4.36Å; L266-M270 VanDerWaalsContact O-CG 3.31Å; L266-M270 WeakPolarHBondContact O-CG 3.33Å; L266-M270 PolarHBondContact O-N 3.43Å; L267-M270 PolarHBondContact O-N 3.28Å; N268-M270 VanDerWaalsContact C-N 3.31Å; N268-M270 PolarHBondContact O-N 3.44Å; M270-G272 VanDerWaalsContact C-N 3.3Å; M270-L276 VanDerWaalsContact O-CD1 3.29Å; M270-L276 WeakPolarHBondContact O-CD1 3.5Å; M270-M281 HydrophobicContact CE-CE 3.52Å; M270-M281 HydrophobicContact CG-CE 3.3Å; M270-M281 HydrophobicContact SD-CE 3.4Å; M270-M281 WeakPolarHBondContact SD-CE 3.49Å; M270-M283 HydrophobicContact CE-CE 4.03Å; M270-M283 HydrophobicContact SD-CE 3.68Å; M270-R300 HydrophobicContact CE-CB 3.71Å; M270-R300 HydrophobicContact CE-CG 4.47Å; M270-R300 VanDerWaalsContact CE-O 3.29Å; M270-R300 WeakPolarHBondContact CE-O 3.49Å; M270-L301 HydrophobicContact CE-CD2 4.07Å; M270-L301 HydrophobicContact CE-CG 4.27Å |
| 271 | D | 79.1 | Confident | 80.3 | Confident | 71 Ų | 71 | 52 Ų | 52 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -77.8 | -20.3 | 179.7 | -75.3 | -8.3 | 0 | 0 | 0 | 112.6 | L267 N268 R300 | L267-D271 PolarHBondContact O-N 2.96Å; N268-D271 PolarHBondContact O-N 3.4Å; D271-R300 WeakPolarHBondContact OD1-CG 3.32Å; D271-R300 IonicContact OD1-CZ 2.69Å; D271-R300 IonicContact OD1-NE 2.66Å; D271-R300 PolarHBondContact OD1-NE 3.37Å; D271-R300 IonicContact OD2-CZ 3.96Å; D271-R300 VanDerWaalsContact OD2-CZ 3.26Å; D271-R300 IonicContact OD2-NE 3.19Å; D271-R300 PolarHBondContact OD2-NE 3.1Å; D271-R300 VanDerWaalsContact OD2-NE 3.07Å; D271-R300 IonicContact OD2-NH2 2.74Å; D271-R300 PolarHBondContact OD2-NH2 2.82Å |
| 272 | G | 66.5 | Low | 80.5 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 21% | 0.206 | 25% | 0.25 | C | S | . | . | trans | -36.2 | 141.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N268 M270 D274 | N268-G272 WeakPolarHBondContact O-CA 3.45Å; N268-G272 PolarHBondContact O-N 3.49Å; M270-G272 VanDerWaalsContact C-N 3.3Å; G272-D274 PolarHBondContact O-N 2.84Å; G272-D274 VanDerWaalsContact O-N 3.14Å | ||
| 273 | F | 46.8 | Very low | 80.7 | Confident | 221 Ų | 221 | 44.6 Ų | 44.6 | 97% | 0.969 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -59.6 | -23.4 | -177.4 | -71.9 | -86.7 | 0 | 0 | 0 | 113.9 | A275 | F273-A275 PolarHBondContact O-N 2.86Š|
| 274 | D | 59.2 | Low | 80.9 | Confident | 114 Ų | 114 | 44.6 Ų | 44.6 | 61% | 0.61 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -75.1 | 118.9 | 172.3 | -64.9 | -30.4 | 0 | 0 | 0 | 108.5 | G272 L276 | G272-D274 PolarHBondContact O-N 2.84Å; G272-D274 VanDerWaalsContact O-N 3.14Å; D274-L276 PolarHBondContact O-N 2.84Å |
| 275 | A | 62.3 | Low | 81.1 | Confident | 94 Ų | 94 | 41.1 Ų | 41.1 | 78% | 0.777 | 23% | 0.233 | S | C | * | . | trans | -49.3 | 115.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | F273 G277 | F273-A275 PolarHBondContact O-N 2.86Å; A275-G277 PolarHBondContact O-N 3.35Å | ||
| 276 | L | 63.8 | Low | 81.1 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 12% | 0.12 | 24% | 0.236 | C | C | . | . | trans | -62 | 77.3 | 173.2 | -78.6 | 150.3 | 0 | 0 | 0 | 107.4 | K174 F225 M270 D274 V279 | K174-L276 HydrophobicContact CD-CD1 3.94Å; F225-L276 HydrophobicContact CD1-CD2 4.12Å; F225-L276 HydrophobicContact CE1-CD2 4.09Å; M270-L276 VanDerWaalsContact O-CD1 3.29Å; M270-L276 WeakPolarHBondContact O-CD1 3.5Å; D274-L276 PolarHBondContact O-N 2.84Å; L276-V279 HydrophobicContact CD2-CB 4.28Å; L276-V279 HydrophobicContact CD2-CG1 4.41Å | ||
| 277 | G | 74.4 | Confident | 80.9 | Confident | 45 Ų | 45 | 47 Ų | 47 | 46% | 0.464 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | -83.5 | -160.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A275 | A275-G277 PolarHBondContact O-N 3.35Š|
| 278 | Q | 83.9 | Confident | 80.8 | Confident | 76 Ų | 76 | 47 Ų | 47 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 34.1 | 174 | -62.2 | -178.7 | -11.5 | 0 | 0 | 111.8 | L159 Q232 P233 C234 | L159-Q278 HydrophobicContact CD2-CB 3.83Å; L159-Q278 HydrophobicContact CD2-CG 4.41Å; Q232-Q278 HydrophobicContact CB-CB 4.27Å; P233-Q278 HydrophobicContact CB-CB 4.03Å; C234-Q278 PolarHBondContact N-O 3.03Å; C234-Q278 VanDerWaalsContact N-O 3.14Å |
| 279 | V | 88.7 | Confident | 80.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.7 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | A228 Q232 C234 I236 L276 | A228-V279 HydrophobicContact CB-CG1 4.02Å; A228-V279 HydrophobicContact CB-CG2 4.28Å; Q232-V279 HydrophobicContact CG-CG2 3.81Å; C234-V279 WeakPolarHBondContact O-CA 3.32Å; I236-V279 HydrophobicContact CD1-CG1 3.94Å; I236-V279 HydrophobicContact CG1-CG1 4.25Å; L276-V279 HydrophobicContact CD2-CB 4.28Å; L276-V279 HydrophobicContact CD2-CG1 4.41Å |
| 280 | K | 89.4 | Confident | 80.7 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.8 | 177.4 | -62.7 | -56.8 | -173.8 | -172.7 | 0 | 110.5 | L159 P173 C234 I235 I236 | L159-K280 HydrophobicContact CG-CG 4.49Å; P173-K280 PolarHBondContact O-NZ 3.22Å; C234-K280 PolarHBondContact O-N 3.43Å; I235-K280 CarbonylContact C-O 3.52Å; I235-K280 WeakPolarHBondContact CA-O 3.31Å; I235-K280 HydrophobicContact CG1-CB 4.49Å; I236-K280 PolarHBondContact N-O 2.76Å |
| 281 | M | 90.7 | Very high | 80.8 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.6 | 178 | -59.8 | -140.5 | -54.2 | 0 | 0 | 112.4 | K174 G175 C176 F225 I236 M270 M283 | K174-M281 PolarHBondContact O-N 3.14Å; G175-M281 CarbonylContact C-O 3.55Å; G175-M281 WeakPolarHBondContact CA-O 3.44Å; C176-M281 PolarHBondContact N-O 3.29Å; F225-M281 HydrophobicContact CE1-CE 4.35Å; F225-M281 HydrophobicContact CE1-SD 3.58Å; F225-M281 VanDerWaalsContact CE1-SD 3.58Å; F225-M281 HydrophobicContact CE2-SD 4.46Å; F225-M281 HydrophobicContact CZ-CE 3.86Å; F225-M281 HydrophobicContact CZ-SD 3.37Å; F225-M281 WeakPolarHBondContact CZ-SD 3.19Å; I236-M281 HydrophobicContact CB-CG 4.17Å; I236-M281 HydrophobicContact CB-SD 4.17Å; I236-M281 HydrophobicContact CD1-CG 4.43Å; I236-M281 HydrophobicContact CD1-SD 4.01Å; I236-M281 HydrophobicContact CG2-SD 4.34Å; I236-M281 CarbonylContact O-C 3.48Å; I236-M281 WeakPolarHBondContact O-CA 3.26Å; M270-M281 HydrophobicContact CE-CE 3.52Å; M270-M281 HydrophobicContact CG-CE 3.3Å; M270-M281 HydrophobicContact SD-CE 3.4Å; M270-M281 WeakPolarHBondContact SD-CE 3.49Å; M281-M283 HydrophobicContact CE-CE 3.68Å |
| 282 | I | 92.4 | Very high | 81.1 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.3 | 174.4 | -48.9 | 178.5 | 0 | 0 | 0 | 106.8 | I155 C176 L178 A190 I235 I236 F237 M238 | I155-I282 HydrophobicContact CD1-CD1 3.31Å; I155-I282 HydrophobicContact CD1-CG1 3.6Å; C176-I282 WeakPolarHBondContact O-CA 3.38Å; L178-I282 HydrophobicContact CD1-CG2 3.76Å; L178-I282 HydrophobicContact CG-CG2 3.98Å; A190-I282 HydrophobicContact CB-CD1 4.32Å; A190-I282 HydrophobicContact CB-CG2 4.44Å; I235-I282 HydrophobicContact CG2-CD1 3.72Å; I235-I282 HydrophobicContact CG2-CG1 3.97Å; I236-I282 PolarHBondContact O-N 3.3Å; F237-I282 CarbonylContact C-O 3.47Å; F237-I282 WeakPolarHBondContact CA-O 3.3Å; F237-I282 HydrophobicContact CD2-CB 3.83Å; F237-I282 HydrophobicContact CD2-CG2 3.66Å; F237-I282 HydrophobicContact CE2-CG2 4Å; M238-I282 PolarHBondContact N-O 2.92Å |
| 283 | M | 93.2 | Very high | 82 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 137.8 | 173.1 | -62.6 | -172.4 | -179.5 | 0 | 0 | 109.2 | C176 L177 L178 M238 I241 L266 M270 M281 L295 L301 | C176-M283 PolarHBondContact O-N 2.82Å; L177-M283 CarbonylContact C-O 3.58Å; L177-M283 WeakPolarHBondContact CA-O 3.22Å; L177-M283 HydrophobicContact CD1-CB 3.85Å; L178-M283 PolarHBondContact N-O 2.66Å; M238-M283 HydrophobicContact CB-CG 4.33Å; M238-M283 CarbonylContact O-C 3.56Å; M238-M283 WeakPolarHBondContact O-CA 3.47Å; M238-M283 HydrophobicContact SD-CE 4.16Å; I241-M283 HydrophobicContact CD1-SD 4.09Å; I241-M283 HydrophobicContact CG1-SD 3.88Å; I241-M283 HydrophobicContact CG2-CB 4.35Å; L266-M283 HydrophobicContact CD2-CE 4.16Å; M270-M283 HydrophobicContact CE-CE 4.03Å; M270-M283 HydrophobicContact SD-CE 3.68Å; M281-M283 HydrophobicContact CE-CE 3.68Å; M283-L295 HydrophobicContact CE-CD2 4.39Å; M283-L295 HydrophobicContact SD-CD2 4.46Å; M283-L301 HydrophobicContact CE-CD2 4.27Å; M283-L301 HydrophobicContact CG-CD2 4.16Å; M283-L301 HydrophobicContact SD-CD1 3.82Å; M283-L301 HydrophobicContact SD-CD2 3.82Å; M283-L301 HydrophobicContact SD-CG 4.33Å |
| 284 | A | 93.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L178 K186 F237 M238 E240 I241 | L178-A284 HydrophobicContact CB-CB 4.45Å; L178-A284 WeakPolarHBondContact O-CA 3.49Å; K186-A284 HydrophobicContact CB-CB 4.27Å; F237-A284 HydrophobicContact CE2-CB 3.93Å; F237-A284 HydrophobicContact CZ-CB 3.93Å; M238-A284 PolarHBondContact O-N 2.93Å; E240-A284 PolarHBondContact N-O 3.47Å; E240-A284 VanDerWaalsContact N-O 3.14Å; I241-A284 PolarHBondContact N-O 3.08Å; I241-A284 VanDerWaalsContact N-O 3.12Å |
| 285 | T | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.3 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 111 | L177 L178 Y179 K186 R287 P288 L291 | L177-T285 HydrophobicContact CD1-CG2 3.97Å; L178-T285 PolarHBondContact O-N 3.24Å; Y179-T285 WeakPolarHBondContact CA-O 3.47Å; K186-T285 PolarHBondContact NZ-O 3.36Å; T285-R287 PolarHBondContact OG1-N 3.31Å; T285-R287 PolarHBondContact OG1-O 2.74Å; T285-P288 HydrophobicContact CG2-CB 3.88Å; T285-L291 HydrophobicContact CG2-CD1 3.84Å |
| 286 | N | 89.8 | Confident | 86.3 | Confident | 45 Ų | 45 | 28.7 Ų | 28.7 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -85.6 | -18.6 | 168.3 | -66 | -33.5 | 0 | 0 | 0 | 112.6 | K186 Y392 | K186-N286 PolarHBondContact NZ-OD1 3.24Å; N286-Y392 WeakPolarHBondContact O-CE1 3.35Å; N286-Y392 VanDerWaalsContact O-CZ 3.26Å; N286-Y392 PolarHBondContact O-OH 3.16Å |
| 287 | R | 85.2 | Confident | 87.3 | Confident | 117 Ų | 117 | 35.3 Ų | 35.3 | 44% | 0.442 | 19% | 0.185 | S | C | . | . | trans | -135.4 | 84.4 | -174.5 | -70.3 | -176.6 | -179.4 | 179.5 | 1.3 | 109.4 | T285 D289 T290 Y392 | T285-R287 PolarHBondContact OG1-N 3.31Å; T285-R287 PolarHBondContact OG1-O 2.74Å; R287-D289 WeakPolarHBondContact CA-OD1 3.39Å; R287-D289 WeakPolarHBondContact CB-OD1 3.45Å; R287-D289 PolarHBondContact O-N 3.3Å; R287-T290 HydrophobicContact CB-CG2 4.38Å; R287-T290 PolarHBondContact O-N 3.11Å; R287-T290 PolarHBondContact O-OG1 3.48Å; R287-Y392 HydrophobicContact CG-CE1 4.37Å | ||
| 288 | P | 86.9 | Confident | 87.7 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -71.9 | -17.5 | -177.2 | 33 | -38.1 | 0 | 0 | 0 | 112.5 | Y179 T285 T290 L291 V395 | Y179-P288 HydrophobicContact CD2-CB 4.44Å; Y179-P288 HydrophobicContact CD2-CG 3.95Å; Y179-P288 HydrophobicContact CG-CB 4.39Å; Y179-P288 HydrophobicContact CG-CG 4.34Å; T285-P288 HydrophobicContact CG2-CB 3.88Å; P288-T290 VanDerWaalsContact C-N 3.33Å; P288-T290 PolarHBondContact O-N 3.24Å; P288-L291 WeakPolarHBondContact O-CB 3.41Å; P288-L291 PolarHBondContact O-N 2.95Å; P288-V395 HydrophobicContact CB-CG2 3.48Å; P288-V395 VanDerWaalsContact CB-CG2 3.48Å; P288-V395 HydrophobicContact CG-CG2 3.91Å |
| 289 | D | 86.2 | Confident | 87.5 | Confident | 71 Ų | 71 | 36.5 Ų | 36.5 | 38% | 0.38 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -65.6 | -33.4 | 176.7 | 61.6 | -55.1 | 0 | 0 | 0 | 112.7 | R247 R287 L291 | R247-D289 PolarHBondContact NE-O 3.15Å; R247-D289 PolarHBondContact NH2-O 3.44Å; R287-D289 WeakPolarHBondContact CA-OD1 3.39Å; R287-D289 WeakPolarHBondContact CB-OD1 3.45Å; R287-D289 PolarHBondContact O-N 3.3Å; D289-L291 VanDerWaalsContact C-N 3.28Å; D289-L291 PolarHBondContact O-N 3.45Å |
| 290 | T | 85.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 29% | 0.288 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -80.4 | -7.1 | 179.9 | 56 | 0 | 0 | 0 | 0 | 113.6 | G246 R247 R287 P288 | G246-T290 CarbonylContact C-O 3.58Å; G246-T290 WeakPolarHBondContact CA-O 3.28Å; R247-T290 PolarHBondContact N-O 3.39Å; R287-T290 HydrophobicContact CB-CG2 4.38Å; R287-T290 PolarHBondContact O-N 3.11Å; R287-T290 PolarHBondContact O-OG1 3.48Å; P288-T290 VanDerWaalsContact C-N 3.33Å; P288-T290 PolarHBondContact O-N 3.24Å |
| 291 | L | 86.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 145.9 | -178.3 | -62.7 | -178.7 | 0 | 0 | 0 | 112.7 | L177 I241 D242 G245 T285 P288 D289 P293 L296 | L177-L291 HydrophobicContact CD1-CD1 4.26Å; L177-L291 HydrophobicContact CD2-CD1 4.2Å; I241-L291 HydrophobicContact CG2-CD1 4.29Å; I241-L291 HydrophobicContact CG2-CD2 3.86Å; D242-L291 HydrophobicContact CB-CD2 4.28Å; G245-L291 CarbonylContact O-C 3.56Å; G245-L291 VanDerWaalsContact O-CA 3.32Å; G245-L291 WeakPolarHBondContact O-CA 3.44Å; T285-L291 HydrophobicContact CG2-CD1 3.84Å; P288-L291 WeakPolarHBondContact O-CB 3.41Å; P288-L291 PolarHBondContact O-N 2.95Å; D289-L291 VanDerWaalsContact C-N 3.28Å; D289-L291 PolarHBondContact O-N 3.45Å; L291-P293 WeakPolarHBondContact O-CD 3.34Å; L291-L296 HydrophobicContact CD1-CD2 4.47Å |
| 292 | D | 86.6 | Confident | 86.9 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | trans | -63.5 | 125.2 | 171.8 | -168.7 | -33.2 | 0 | 0 | 0 | 109.5 | G245 L263 A294 L295 | G245-D292 PolarHBondContact O-N 3.16Å; L263-D292 HydrophobicContact CD2-CB 4.05Å; D292-A294 PolarHBondContact O-N 3.41Å; D292-A294 WeakPolarHBondContact OD1-CB 3.31Å; D292-A294 PolarHBondContact OD1-N 3.36Å; D292-L295 WeakPolarHBondContact O-CB 3.35Å; D292-L295 PolarHBondContact O-N 3.41Å | ||
| 293 | P | 85.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -23.4 | 174 | -27.1 | 34.8 | 0 | 0 | 0 | 114.1 | L291 L295 L296 R297 | L291-P293 WeakPolarHBondContact O-CD 3.34Å; P293-L295 VanDerWaalsContact C-N 3.34Å; P293-L296 PolarHBondContact O-N 2.94Å; P293-R297 PolarHBondContact O-N 2.82Å |
| 294 | A | 86 | Confident | 86.6 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L267 D292 L296 R300 | L267-A294 HydrophobicContact CD1-CB 3.95Å; D292-A294 PolarHBondContact O-N 3.41Å; D292-A294 WeakPolarHBondContact OD1-CB 3.31Å; D292-A294 PolarHBondContact OD1-N 3.36Å; A294-L296 VanDerWaalsContact C-N 3.32Å; A294-R300 VanDerWaalsContact C-NH1 3.32Å; A294-R300 VanDerWaalsContact O-CD 3.3Å; A294-R300 WeakPolarHBondContact O-CD 3.42Å; A294-R300 PolarHBondContact O-NH1 3.15Å |
| 295 | L | 86 | Confident | 86.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -37.4 | 175.7 | -78.3 | 166.2 | 0 | 0 | 0 | 111.5 | I241 L263 L267 M283 D292 P293 R297 L301 | I241-L295 HydrophobicContact CG1-CD1 4.49Å; L263-L295 HydrophobicContact CD1-CD1 3.7Å; L263-L295 HydrophobicContact CD1-CD2 3.99Å; L263-L295 HydrophobicContact CD1-CG 3.9Å; L267-L295 HydrophobicContact CD2-CD2 3.36Å; L267-L295 HydrophobicContact CD2-CG 3.88Å; L267-L295 HydrophobicContact CG-CD2 4.31Å; M283-L295 HydrophobicContact CE-CD2 4.39Å; M283-L295 HydrophobicContact SD-CD2 4.46Å; D292-L295 WeakPolarHBondContact O-CB 3.35Å; D292-L295 PolarHBondContact O-N 3.41Å; P293-L295 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 2.94Å; L295-L301 HydrophobicContact CB-CD1 4.23Å; L295-L301 WeakPolarHBondContact O-CD1 3.29Å; L295-L301 WeakPolarHBondContact O-CG 3.22Å |
| 296 | L | 85.3 | Confident | 86.5 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 1 | -175.2 | -61.6 | 175.4 | 0 | 0 | 0 | 114.3 | L177 L291 P293 A294 V395 | L177-L296 HydrophobicContact CD2-CD2 3.49Å; L177-L296 VanDerWaalsContact CD2-CD2 3.49Å; L291-L296 HydrophobicContact CD1-CD2 4.47Å; P293-L296 PolarHBondContact O-N 2.94Å; A294-L296 VanDerWaalsContact C-N 3.32Å; L296-V395 HydrophobicContact CD1-CG1 3.86Å |
| 297 | R | 85.9 | Confident | 86.6 | Confident | 162 Ų | 162 | 53.3 Ų | 53.3 | 61% | 0.611 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -69.8 | 135.4 | -179.6 | -174 | 179.1 | -77.7 | -167.5 | -4.5 | 110.5 | P293 L295 G299 R300 | P293-R297 PolarHBondContact O-N 2.82Å; L295-R297 PolarHBondContact O-N 2.94Å; R297-G299 PolarHBondContact O-N 3.21Å; R297-R300 PolarHBondContact O-N 3.35Å |
| 298 | P | 82.6 | Confident | 86.8 | Confident | 113 Ų | 113 | 50.2 Ų | 50.2 | 73% | 0.734 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.3 | 171.7 | -25 | 34.1 | 0 | 0 | 0 | 111.7 | ||
| 299 | G | 80.2 | Confident | 86.8 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | -13.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K174 R297 D302 | K174-G299 WeakPolarHBondContact CD-O 3.42Å; R297-G299 PolarHBondContact O-N 3.21Å; G299-D302 VanDerWaalsContact CA-OD1 3.32Å; G299-D302 WeakPolarHBondContact CA-OD1 3.08Å; G299-D302 PolarHBondContact N-OD1 2.82Å |
| 300 | R | 85.1 | Confident | 87 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -65.3 | 175.8 | -67.5 | 169.6 | -179.7 | -177 | -3 | 110.8 | M270 D271 A294 R297 | M270-R300 HydrophobicContact CE-CB 3.71Å; M270-R300 HydrophobicContact CE-CG 4.47Å; M270-R300 VanDerWaalsContact CE-O 3.29Å; M270-R300 WeakPolarHBondContact CE-O 3.49Å; D271-R300 WeakPolarHBondContact OD1-CG 3.32Å; D271-R300 IonicContact OD1-CZ 2.69Å; D271-R300 IonicContact OD1-NE 2.66Å; D271-R300 PolarHBondContact OD1-NE 3.37Å; D271-R300 IonicContact OD2-CZ 3.96Å; D271-R300 VanDerWaalsContact OD2-CZ 3.26Å; D271-R300 IonicContact OD2-NE 3.19Å; D271-R300 PolarHBondContact OD2-NE 3.1Å; D271-R300 VanDerWaalsContact OD2-NE 3.07Å; D271-R300 IonicContact OD2-NH2 2.74Å; D271-R300 PolarHBondContact OD2-NH2 2.82Å; A294-R300 VanDerWaalsContact C-NH1 3.32Å; A294-R300 VanDerWaalsContact O-CD 3.3Å; A294-R300 WeakPolarHBondContact O-CD 3.42Å; A294-R300 PolarHBondContact O-NH1 3.15Å; R297-R300 PolarHBondContact O-N 3.35Å |
| 301 | L | 85.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -115.4 | 85.7 | 175.4 | -63.9 | 175.6 | 0 | 0 | 0 | 108.4 | L177 M270 M283 L295 | L177-L301 HydrophobicContact CB-CD1 4.27Å; L177-L301 HydrophobicContact CD1-CD1 4.44Å; M270-L301 HydrophobicContact CE-CD2 4.07Å; M270-L301 HydrophobicContact CE-CG 4.27Å; M283-L301 HydrophobicContact CE-CD2 4.27Å; M283-L301 HydrophobicContact CG-CD2 4.16Å; M283-L301 HydrophobicContact SD-CD1 3.82Å; M283-L301 HydrophobicContact SD-CD2 3.82Å; M283-L301 HydrophobicContact SD-CG 4.33Å; L295-L301 HydrophobicContact CB-CD1 4.23Å; L295-L301 WeakPolarHBondContact O-CD1 3.29Å; L295-L301 WeakPolarHBondContact O-CG 3.22Å |
| 302 | D | 85.2 | Confident | 87.4 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 33% | 0.326 | 31% | 0.313 | S | S | . | . | trans | -73.5 | -31.4 | -173.2 | -59.4 | -46.9 | 0 | 0 | 0 | 112.1 | P173 K174 G175 G299 | P173-D302 WeakPolarHBondContact CA-OD2 3.25Å; P173-D302 HydrophobicContact CB-CB 3.92Å; K174-D302 PolarHBondContact N-OD2 3.5Å; G175-D302 PolarHBondContact O-N 3.32Å; G299-D302 VanDerWaalsContact CA-OD1 3.32Å; G299-D302 WeakPolarHBondContact CA-OD1 3.08Å; G299-D302 PolarHBondContact N-OD1 2.82Å | ||
| 303 | R | 89 | Confident | 87.6 | Confident | 141 Ų | 141 | 65.5 Ų | 65.5 | 53% | 0.532 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.8 | -175.2 | -65.7 | -68.9 | -171.2 | 175.7 | 2 | 110.8 | V154 P173 G175 C176 L177 | V154-R303 HydrophobicContact CG2-CB 4.12Å; V154-R303 HydrophobicContact CG2-CG 3.63Å; P173-R303 HydrophobicContact CB-CG 4.42Å; G175-R303 PolarHBondContact O-N 3.24Å; C176-R303 CarbonylContact C-O 3.53Å; C176-R303 VanDerWaalsContact CA-O 3.28Å; C176-R303 WeakPolarHBondContact CA-O 3.45Å; C176-R303 HydrophobicContact CB-CB 4.23Å; L177-R303 PolarHBondContact N-O 2.82Å |
| 304 | K | 90.7 | Very high | 87.9 | Confident | 87 Ų | 87 | 61.9 Ų | 61.9 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 105 | 178.4 | -58.1 | 177.1 | -175.3 | 176.9 | 0 | 107 | L177 Y179 | L177-K304 CarbonylContact O-C 3.6Å; L177-K304 WeakPolarHBondContact O-CA 3.29Å; Y179-K304 HydrophobicContact CD1-CB 4.46Å; Y179-K304 HydrophobicContact CE1-CB 3.85Å |
| 305 | I | 91.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 115 | -177.1 | -55.5 | 177.2 | 0 | 0 | 0 | 107.6 | Q147 E150 L151 L177 L178 Y179 | Q147-I305 HydrophobicContact CB-CG2 3.89Å; Q147-I305 HydrophobicContact CG-CG2 3.71Å; E150-I305 HydrophobicContact CB-CD1 4.02Å; E150-I305 HydrophobicContact CB-CG1 4.47Å; L151-I305 HydrophobicContact CB-CD1 4.05Å; L151-I305 HydrophobicContact CD1-CD1 4.07Å; L177-I305 PolarHBondContact O-N 3.06Å; L178-I305 HydrophobicContact CD2-CB 3.87Å; L178-I305 HydrophobicContact CD2-CD1 4.05Å; L178-I305 HydrophobicContact CD2-CG1 4.41Å; L178-I305 HydrophobicContact CD2-CG2 4.3Å; Y179-I305 WeakPolarHBondContact CD1-O 3.28Å; Y179-I305 PolarHBondContact N-O 3.41Å |
| 306 | E | 91 | Very high | 88.5 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129 | 171.3 | -168 | 175.8 | 177.4 | 0 | 0 | 109.5 | Q147 Y179 P308 | Q147-E306 WeakPolarHBondContact CG-O 3.32Å; Q147-E306 PolarHBondContact NE2-O 3.02Å; Y179-E306 HydrophobicContact CD2-CG 4.28Å; Y179-E306 HydrophobicContact CE1-CB 4.06Å; Y179-E306 HydrophobicContact CE2-CB 3.84Å; Y179-E306 HydrophobicContact CE2-CG 3.69Å; E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å |
| 307 | I | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -106.3 | 93.8 | 171.8 | -60.4 | 171.2 | 0 | 0 | 0 | 106.8 | L144 Q147 L178 Y179 P181 T184 K186 L189 | L144-I307 HydrophobicContact CD1-CG2 4.13Å; L144-I307 HydrophobicContact CD2-CG2 3.85Å; Q147-I307 HydrophobicContact CG-CG1 4.35Å; L178-I307 HydrophobicContact CB-CD1 4.18Å; L178-I307 HydrophobicContact CD2-CD1 4.39Å; Y179-I307 PolarHBondContact O-N 3.46Å; P181-I307 WeakPolarHBondContact CD-O 3.4Å; T184-I307 WeakPolarHBondContact OG1-CG2 3.22Å; K186-I307 HydrophobicContact CB-CD1 4.06Å; K186-I307 HydrophobicContact CD-CD1 4.47Å; K186-I307 HydrophobicContact CG-CD1 3.73Å; L189-I307 HydrophobicContact CD1-CD1 4.3Å | ||
| 308 | P | 89 | Confident | 89.1 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 173.9 | -178.1 | 31.9 | -36.7 | 0 | 0 | 0 | 111.2 | E306 | E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å |
| 309 | L | 88.4 | Confident | 89.5 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 38% | 0.377 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 148.1 | 166.5 | -68.3 | 171.6 | 0 | 0 | 0 | 110 | P181 T184 N311 N345 | P181-L309 HydrophobicContact CB-CD2 4.25Å; P181-L309 HydrophobicContact CG-CD2 4.12Å; P181-L309 HydrophobicContact CG-CG 4.18Å; T184-L309 HydrophobicContact CG2-CD2 4.28Å; L309-N311 PolarHBondContact O-N 2.86Å; L309-N345 HydrophobicContact CD2-CB 4.18Å |
| 310 | P | 89.5 | Confident | 90.1 | Very high | 20 Ų | 20 | 54.7 Ų | 54.7 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -66 | 128.4 | -177.6 | 26.5 | -34.6 | 0 | 0 | 0 | 112 | A314 R315 F344 L349 | P310-A314 HydrophobicContact CB-CB 3.7Å; P310-R315 HydrophobicContact CB-CG 3.84Å; P310-R315 HydrophobicContact CG-CG 3.82Å; P310-R315 PolarHBondContact O-NH1 3.46Å; P310-F344 VanDerWaalsContact CD-O 3.25Å; P310-F344 WeakPolarHBondContact CD-O 3.17Å; P310-F344 WeakPolarHBondContact CG-O 3.44Å; P310-L349 HydrophobicContact CG-CD1 4.49Å |
| 311 | N | 90.1 | Very high | 90.4 | Very high | 120 Ų | 120 | 55.7 Ų | 55.7 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 167.3 | 168 | -66.6 | -20.6 | 0 | 0 | 0 | 111.6 | L309 Q313 A314 R315 | L309-N311 PolarHBondContact O-N 2.86Å; N311-Q313 VanDerWaalsContact C-N 3.3Å; N311-Q313 PolarHBondContact O-N 3.48Å; N311-A314 HydrophobicContact CB-CB 4.46Å; N311-A314 CarbonylContact O-C 3.53Å; N311-A314 WeakPolarHBondContact O-CA 3.43Å; N311-A314 WeakPolarHBondContact O-CB 3.45Å; N311-A314 PolarHBondContact O-N 2.91Å; N311-R315 WeakPolarHBondContact O-CG 3.46Å; N311-R315 PolarHBondContact O-N 2.94Å |
| 312 | E | 90.7 | Very high | 90.7 | Very high | 135 Ų | 135 | 58.4 Ų | 58.4 | 63% | 0.631 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -50.2 | -48 | 178.6 | -71.5 | 178.2 | 174 | 0 | 0 | 112.9 | A314 R315 M316 V338 | E312-A314 PolarHBondContact O-N 3.24Å; E312-R315 PolarHBondContact O-N 2.86Å; E312-M316 PolarHBondContact O-N 3.46Å; E312-M316 VanDerWaalsContact O-N 3.08Å; E312-V338 HydrophobicContact CB-CG1 4.08Å; E312-V338 HydrophobicContact CG-CG1 4.42Å; E312-V338 WeakPolarHBondContact O-CG1 3.47Å |
| 313 | Q | 91.2 | Very high | 91 | Very high | 113 Ų | 113 | 55.5 Ų | 55.5 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.3 | -171.7 | 60.2 | 37.7 | 0 | 0 | 112.2 | N311 R315 M316 D317 | N311-Q313 VanDerWaalsContact C-N 3.3Å; N311-Q313 PolarHBondContact O-N 3.48Å; Q313-R315 VanDerWaalsContact C-N 3.34Å; Q313-R315 PolarHBondContact O-N 2.91Å; Q313-M316 WeakPolarHBondContact O-CB 3.25Å; Q313-M316 PolarHBondContact O-N 3.2Å; Q313-D317 PolarHBondContact NE2-OD1 2.94Å; Q313-D317 PolarHBondContact O-N 3.39Å |
| 314 | A | 91.3 | Very high | 91 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | G143 P310 N311 E312 M316 D317 V318 | G143-A314 VanDerWaalsContact CA-CB 3.49Å; P310-A314 HydrophobicContact CB-CB 3.7Å; N311-A314 HydrophobicContact CB-CB 4.46Å; N311-A314 CarbonylContact O-C 3.53Å; N311-A314 WeakPolarHBondContact O-CA 3.43Å; N311-A314 WeakPolarHBondContact O-CB 3.45Å; N311-A314 PolarHBondContact O-N 2.91Å; E312-A314 PolarHBondContact O-N 3.24Å; A314-M316 VanDerWaalsContact C-N 3.32Å; A314-M316 PolarHBondContact O-N 3.24Å; A314-D317 PolarHBondContact O-N 2.93Å; A314-V318 VanDerWaalsContact O-CG2 3.27Å; A314-V318 WeakPolarHBondContact O-CG2 3.46Å; A314-V318 PolarHBondContact O-N 3.38Å |
| 315 | R | 92.4 | Very high | 91 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.9 | -66.7 | -163.5 | -67 | -93 | 13.4 | 111.2 | P310 N311 E312 Q313 V318 L319 V338 S341 L349 | P310-R315 HydrophobicContact CB-CG 3.84Å; P310-R315 HydrophobicContact CG-CG 3.82Å; P310-R315 PolarHBondContact O-NH1 3.46Å; N311-R315 WeakPolarHBondContact O-CG 3.46Å; N311-R315 PolarHBondContact O-N 2.94Å; E312-R315 PolarHBondContact O-N 2.86Å; Q313-R315 VanDerWaalsContact C-N 3.34Å; Q313-R315 PolarHBondContact O-N 2.91Å; R315-V318 PolarHBondContact O-N 3.07Å; R315-L319 WeakPolarHBondContact O-CB 3.26Å; R315-L319 VanDerWaalsContact O-CG 3.28Å; R315-L319 WeakPolarHBondContact O-CG 3.4Å; R315-L319 PolarHBondContact O-N 2.96Å; R315-V338 HydrophobicContact CB-CG1 4.25Å; R315-V338 HydrophobicContact CB-CG2 4.35Å; R315-V338 PolarHBondContact NE-O 3.3Å; R315-V338 PolarHBondContact NH2-O 2.91Å; R315-S341 WeakPolarHBondContact CD-O 3.25Å; R315-S341 PolarHBondContact NE-O 2.83Å; R315-L349 HydrophobicContact CB-CD1 4.01Å; R315-L349 HydrophobicContact CG-CD1 4.04Å |
| 316 | M | 92.1 | Very high | 91 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 15% | 0.148 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.3 | -165.3 | -174.2 | -59.3 | 0 | 0 | 111.6 | E312 Q313 A314 L319 K320 W334 E335 V338 | E312-M316 PolarHBondContact O-N 3.46Å; E312-M316 VanDerWaalsContact O-N 3.08Å; Q313-M316 WeakPolarHBondContact O-CB 3.25Å; Q313-M316 PolarHBondContact O-N 3.2Å; A314-M316 VanDerWaalsContact C-N 3.32Å; A314-M316 PolarHBondContact O-N 3.24Å; M316-L319 PolarHBondContact O-N 2.9Å; M316-K320 HydrophobicContact CG-CD 4.32Å; M316-K320 WeakPolarHBondContact O-CB 3.41Å; M316-K320 VanDerWaalsContact O-CG 3.31Å; M316-K320 WeakPolarHBondContact O-CG 3.31Å; M316-K320 PolarHBondContact O-N 2.86Å; M316-K320 PolarHBondContact SD-NZ 2.85Å; M316-K320 VanDerWaalsContact SD-NZ 3.36Å; M316-W334 HydrophobicContact CG-CB 4.35Å; M316-E335 HydrophobicContact CE-CG 4.35Å; M316-V338 HydrophobicContact CB-CG2 3.82Å; M316-V338 HydrophobicContact CG-CG2 4.24Å |
| 317 | D | 91.9 | Very high | 91.1 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | -179.4 | -65.6 | -21.3 | 0 | 0 | 0 | 111.6 | Q313 A314 L319 K320 I321 | Q313-D317 PolarHBondContact NE2-OD1 2.94Å; Q313-D317 PolarHBondContact O-N 3.39Å; A314-D317 PolarHBondContact O-N 2.93Å; D317-L319 PolarHBondContact O-N 2.93Å; D317-K320 PolarHBondContact O-N 2.97Å; D317-I321 VanDerWaalsContact O-CG1 3.29Å; D317-I321 WeakPolarHBondContact O-CG1 3.5Å; D317-I321 PolarHBondContact O-N 3.32Å |
| 318 | V | 92.4 | Very high | 91 | Very high | 15 Ų | 15 | 57 Ų | 57 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | A314 R315 I321 H322 L349 | A314-V318 VanDerWaalsContact O-CG2 3.27Å; A314-V318 WeakPolarHBondContact O-CG2 3.46Å; A314-V318 PolarHBondContact O-N 3.38Å; R315-V318 PolarHBondContact O-N 3.07Å; V318-I321 PolarHBondContact O-N 3.44Å; V318-H322 PolarHBondContact O-CD2 2.96Å; V318-H322 PolarHBondContact O-N 2.81Å; V318-L349 HydrophobicContact CB-CD1 3.81Å; V318-L349 HydrophobicContact CG1-CB 3.88Å; V318-L349 HydrophobicContact CG1-CD1 3.69Å; V318-L349 HydrophobicContact CG1-CG 4.45Å |
| 319 | L | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.7 | -77.2 | 167.5 | 0 | 0 | 0 | 111.5 | R315 M316 D317 I321 H322 A323 W334 V337 V338 L349 V352 | R315-L319 WeakPolarHBondContact O-CB 3.26Å; R315-L319 VanDerWaalsContact O-CG 3.28Å; R315-L319 WeakPolarHBondContact O-CG 3.4Å; R315-L319 PolarHBondContact O-N 2.96Å; M316-L319 PolarHBondContact O-N 2.9Å; D317-L319 PolarHBondContact O-N 2.93Å; L319-I321 VanDerWaalsContact C-N 3.34Å; L319-I321 PolarHBondContact O-N 2.87Å; L319-H322 PolarHBondContact O-N 2.92Å; L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3.44Å; L319-W334 HydrophobicContact CB-CE3 4.13Å; L319-W334 HydrophobicContact CB-CZ3 4.28Å; L319-V337 HydrophobicContact CD1-CB 4.49Å; L319-V337 HydrophobicContact CD1-CG1 3.68Å; L319-V337 HydrophobicContact CD2-CG1 4.41Å; L319-V338 HydrophobicContact CD1-CG2 3.85Å; L319-L349 HydrophobicContact CD1-CD2 4.15Å; L319-L349 HydrophobicContact CD2-CB 4.12Å; L319-L349 HydrophobicContact CD2-CD2 3.97Å; L319-L349 HydrophobicContact CG-CB 4.39Å; L319-L349 HydrophobicContact CG-CD2 3.94Å; L319-V352 HydrophobicContact CD2-CB 4.49Å; L319-V352 HydrophobicContact CD2-CG1 4.35Å |
| 320 | K | 91.7 | Very high | 90.5 | Very high | 95 Ų | 95 | 60.1 Ų | 60.1 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 177.5 | -76.4 | 172.5 | 179.9 | 170.9 | 0 | 111.8 | M316 D317 A323 A324 | M316-K320 HydrophobicContact CG-CD 4.32Å; M316-K320 WeakPolarHBondContact O-CB 3.41Å; M316-K320 VanDerWaalsContact O-CG 3.31Å; M316-K320 WeakPolarHBondContact O-CG 3.31Å; M316-K320 PolarHBondContact O-N 2.86Å; M316-K320 PolarHBondContact SD-NZ 2.85Å; M316-K320 VanDerWaalsContact SD-NZ 3.36Å; D317-K320 PolarHBondContact O-N 2.97Å; K320-A323 PolarHBondContact O-N 2.88Å; K320-A324 PolarHBondContact O-N 2.92Å |
| 321 | I | 91.9 | Very high | 90.1 | Very high | 52 Ų | 52 | 68.2 Ų | 68.2 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -52.3 | 177.6 | -67.4 | 164.2 | 0 | 0 | 0 | 110.8 | D317 V318 L319 A323 A324 | D317-I321 VanDerWaalsContact O-CG1 3.29Å; D317-I321 WeakPolarHBondContact O-CG1 3.5Å; D317-I321 PolarHBondContact O-N 3.32Å; V318-I321 PolarHBondContact O-N 3.44Å; L319-I321 VanDerWaalsContact C-N 3.34Å; L319-I321 PolarHBondContact O-N 2.87Å; I321-A323 VanDerWaalsContact C-N 3.29Å; I321-A323 PolarHBondContact O-N 3.01Å; I321-A324 WeakPolarHBondContact O-CB 3.43Å; I321-A324 PolarHBondContact O-N 3.31Å |
| 322 | H | 91.2 | Very high | 89.8 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.3 | -26.2 | -178.4 | -75.3 | -50.9 | 0 | 0 | 0 | 113.7 | V318 L319 P325 C353 | V318-H322 PolarHBondContact O-CD2 2.96Å; V318-H322 PolarHBondContact O-N 2.81Å; L319-H322 PolarHBondContact O-N 2.92Å; H322-P325 WeakPolarHBondContact O-CD 3.38Å; H322-C353 HydrophobicContact CB-CB 4.2Å |
| 323 | A | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -85.6 | -16.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L319 K320 I321 P325 I326 K328 W334 | L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3.44Å; K320-A323 PolarHBondContact O-N 2.88Å; I321-A323 VanDerWaalsContact C-N 3.29Å; I321-A323 PolarHBondContact O-N 3.01Å; A323-P325 VanDerWaalsContact C-CD 3.5Å; A323-I326 PolarHBondContact O-N 3.43Å; A323-K328 VanDerWaalsContact CB-CE 3.48Å; A323-K328 WeakPolarHBondContact O-CE 3.16Å; A323-K328 PolarHBondContact O-NZ 3.03Å; A323-W334 HydrophobicContact CB-CH2 3.42Å; A323-W334 VanDerWaalsContact CB-CH2 3.42Å; A323-W334 HydrophobicContact CB-CZ2 4.15Å; A323-W334 HydrophobicContact CB-CZ3 4.06Å |
| 324 | A | 89.8 | Confident | 89.7 | Confident | 75 Ų | 75 | 57 Ų | 57 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | K320 I321 I326 | K320-A324 PolarHBondContact O-N 2.92Å; I321-A324 WeakPolarHBondContact O-CB 3.43Å; I321-A324 PolarHBondContact O-N 3.31Å; A324-I326 VanDerWaalsContact C-N 3.29Å; A324-I326 PolarHBondContact O-N 3.12Å |
| 325 | P | 91.2 | Very high | 89.7 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 74% | 0.74 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7.1 | 177.9 | 30.3 | -36.9 | 0 | 0 | 0 | 114.7 | H322 A323 | H322-P325 WeakPolarHBondContact O-CD 3.38Å; A323-P325 VanDerWaalsContact C-CD 3.5Å |
| 326 | I | 91.7 | Very high | 89.6 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -88.4 | 130.2 | -175.3 | -59.2 | 179.8 | 0 | 0 | 0 | 109.7 | A323 A324 K328 C353 T368 | A323-I326 PolarHBondContact O-N 3.43Å; A324-I326 VanDerWaalsContact C-N 3.29Å; A324-I326 PolarHBondContact O-N 3.12Å; I326-K328 WeakPolarHBondContact O-CG 3.33Å; I326-K328 PolarHBondContact O-N 2.93Å; I326-C353 HydrophobicContact CD1-CB 3.73Å; I326-C353 WeakPolarHBondContact CD1-O 3.33Å; I326-T368 HydrophobicContact CG2-CG2 3.67Å; I326-T368 WeakPolarHBondContact CG2-OG1 3.45Å |
| 327 | A | 92 | Very high | 89.6 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 50% | 0.504 | 35% | 0.348 | S | S | . | . | trans | -66 | 123.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | T368 | A327-T368 PolarHBondContact O-N 2.66Å; A327-T368 PolarHBondContact O-OG1 3.37Å | ||
| 328 | K | 90.1 | Very high | 89.6 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -127.7 | 145.9 | -175.2 | -63 | 155.2 | -177.3 | 176.7 | 0 | 109.4 | A323 I326 I332 W334 T368 | A323-K328 VanDerWaalsContact CB-CE 3.48Å; A323-K328 WeakPolarHBondContact O-CE 3.16Å; A323-K328 PolarHBondContact O-NZ 3.03Å; I326-K328 WeakPolarHBondContact O-CG 3.33Å; I326-K328 PolarHBondContact O-N 2.93Å; K328-I332 HydrophobicContact CB-CD1 4.02Å; K328-I332 HydrophobicContact CD-CD1 3.69Å; K328-I332 HydrophobicContact CG-CD1 3.68Å; K328-W334 HydrophobicContact CD-CZ2 4.48Å; K328-T368 WeakPolarHBondContact CA-O 3.38Å; K328-T368 WeakPolarHBondContact CG-OG1 3.43Å |
| 329 | H | 86.6 | Confident | 89.6 | Confident | 129 Ų | 129 | 68 Ų | 68 | 60% | 0.597 | 37% | 0.368 | S | S | * | . | trans | -125.3 | 128.5 | 171.2 | -157.7 | -56.6 | 0 | 0 | 0 | 109.8 | Y367 T368 | H329-Y367 HydrophobicContact CB-CD2 3.44Å; H329-Y367 VanDerWaalsContact CB-CD2 3.44Å; H329-Y367 HydrophobicContact CB-CE2 3.91Å; H329-Y367 HydrophobicContact CB-CG 3.96Å; H329-T368 PolarHBondContact N-O 3.11Å | ||
| 330 | G | 80.3 | Confident | 89.4 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 61% | 0.608 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 94.3 | 172 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 331 | E | 81.2 | Confident | 89.3 | Confident | 190 Ų | 190 | 67.1 Ų | 67.1 | 89% | 0.888 | 37% | 0.368 | S | S | * | . | trans | -80.9 | 117.5 | 172.2 | -66.7 | -175.8 | 171.1 | 0 | 0 | 108.4 | ||||
| 332 | I | 83.7 | Confident | 89 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | trans | -90 | 121.8 | 176.4 | -60.6 | 174.9 | 0 | 0 | 0 | 107.8 | K328 W334 F373 | K328-I332 HydrophobicContact CB-CD1 4.02Å; K328-I332 HydrophobicContact CD-CD1 3.69Å; K328-I332 HydrophobicContact CG-CD1 3.68Å; I332-W334 HydrophobicContact CB-CH2 4.48Å; I332-W334 HydrophobicContact CB-CZ2 3.9Å; I332-W334 HydrophobicContact CD1-CH2 4Å; I332-W334 HydrophobicContact CD1-CZ2 3.81Å; I332-W334 HydrophobicContact CG1-CZ2 4.45Å; I332-W334 HydrophobicContact CG2-CD2 4.02Å; I332-W334 HydrophobicContact CG2-CE3 4.17Å; I332-W334 HydrophobicContact CG2-CH2 3.98Å; I332-W334 HydrophobicContact CG2-CZ2 3.84Å; I332-W334 HydrophobicContact CG2-CZ3 4.16Å; I332-W334 VanDerWaalsContact O-CD1 3.27Å; I332-W334 PolarHBondContact O-N 3.34Å; I332-W334 PolarHBondContact O-NE1 2.77Å; I332-F373 HydrophobicContact CD1-CD2 3.93Å; I332-F373 HydrophobicContact CD1-CE2 3.51Å; I332-F373 HydrophobicContact CD1-CZ 4.24Å; I332-F373 HydrophobicContact CG2-CD2 4.45Å | ||
| 333 | D | 88.8 | Confident | 88.7 | Confident | 72 Ų | 72 | 69 Ų | 69 | 39% | 0.385 | 39% | 0.387 | S | S | . | . | trans | -73.7 | 92.9 | 170.5 | -176.1 | 6.2 | 0 | 0 | 0 | 110.6 | E335 A336 V337 | D333-E335 PolarHBondContact O-N 2.8Å; D333-E335 WeakPolarHBondContact OD1-CB 3.45Å; D333-E335 PolarHBondContact OD1-N 3.49Å; D333-A336 HydrophobicContact CB-CB 4.27Å; D333-A336 PolarHBondContact OD1-N 3.46Å; D333-A336 WeakPolarHBondContact OD2-CB 3.37Å; D333-V337 WeakPolarHBondContact O-CG2 3.46Å; D333-V337 PolarHBondContact O-N 2.96Å | ||
| 334 | W | 90.2 | Very high | 88.6 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 16% | 0.159 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.7 | -24.4 | 175.9 | -60.2 | 102.2 | 0 | 0 | 0 | 112.5 | M316 L319 A323 K328 I332 V337 V338 F373 | M316-W334 HydrophobicContact CG-CB 4.35Å; L319-W334 HydrophobicContact CB-CE3 4.13Å; L319-W334 HydrophobicContact CB-CZ3 4.28Å; A323-W334 HydrophobicContact CB-CH2 3.42Å; A323-W334 VanDerWaalsContact CB-CH2 3.42Å; A323-W334 HydrophobicContact CB-CZ2 4.15Å; A323-W334 HydrophobicContact CB-CZ3 4.06Å; K328-W334 HydrophobicContact CD-CZ2 4.48Å; I332-W334 HydrophobicContact CB-CH2 4.48Å; I332-W334 HydrophobicContact CB-CZ2 3.9Å; I332-W334 HydrophobicContact CD1-CH2 4Å; I332-W334 HydrophobicContact CD1-CZ2 3.81Å; I332-W334 HydrophobicContact CG1-CZ2 4.45Å; I332-W334 HydrophobicContact CG2-CD2 4.02Å; I332-W334 HydrophobicContact CG2-CE3 4.17Å; I332-W334 HydrophobicContact CG2-CH2 3.98Å; I332-W334 HydrophobicContact CG2-CZ2 3.84Å; I332-W334 HydrophobicContact CG2-CZ3 4.16Å; I332-W334 VanDerWaalsContact O-CD1 3.27Å; I332-W334 PolarHBondContact O-N 3.34Å; I332-W334 PolarHBondContact O-NE1 2.77Å; W334-V337 PolarHBondContact O-N 3.05Å; W334-V338 WeakPolarHBondContact O-CB 3.3Å; W334-V338 WeakPolarHBondContact O-CG2 3.49Å; W334-V338 PolarHBondContact O-N 2.85Å; W334-F373 HydrophobicContact CH2-CE1 4.15Å; W334-F373 HydrophobicContact CH2-CZ 4.18Å; W334-F373 HydrophobicContact CZ3-CD1 4.33Å; W334-F373 HydrophobicContact CZ3-CE1 4.23Å |
| 335 | E | 91.6 | Very high | 88.6 | Confident | 141 Ų | 141 | 66.5 Ų | 66.5 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.7 | -42.9 | -179.8 | -59.9 | -174.8 | 177.7 | 0 | 0 | 110.6 | M316 D333 V337 V338 K339 | M316-E335 HydrophobicContact CE-CG 4.35Å; D333-E335 PolarHBondContact O-N 2.8Å; D333-E335 WeakPolarHBondContact OD1-CB 3.45Å; D333-E335 PolarHBondContact OD1-N 3.49Å; E335-V337 VanDerWaalsContact C-N 3.35Å; E335-V337 PolarHBondContact O-N 2.97Å; E335-V338 PolarHBondContact O-N 3.39Å; E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 PolarHBondContact O-N 3.26Å |
| 336 | A | 90.6 | Very high | 88.5 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D333 K339 L340 M374 | D333-A336 HydrophobicContact CB-CB 4.27Å; D333-A336 PolarHBondContact OD1-N 3.46Å; D333-A336 WeakPolarHBondContact OD2-CB 3.37Å; A336-K339 PolarHBondContact O-N 3.05Å; A336-L340 PolarHBondContact O-N 3.43Å; A336-M374 HydrophobicContact CB-CE 4.48Å; A336-M374 HydrophobicContact CB-SD 4.33Å |
| 337 | V | 90.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | L319 D333 W334 E335 L340 S341 F373 M374 V377 | L319-V337 HydrophobicContact CD1-CB 4.49Å; L319-V337 HydrophobicContact CD1-CG1 3.68Å; L319-V337 HydrophobicContact CD2-CG1 4.41Å; D333-V337 WeakPolarHBondContact O-CG2 3.46Å; D333-V337 PolarHBondContact O-N 2.96Å; W334-V337 PolarHBondContact O-N 3.05Å; E335-V337 VanDerWaalsContact C-N 3.35Å; E335-V337 PolarHBondContact O-N 2.97Å; V337-L340 PolarHBondContact O-N 3.2Å; V337-S341 WeakPolarHBondContact O-CB 3.21Å; V337-S341 PolarHBondContact O-N 3.23Å; V337-S341 VanDerWaalsContact O-N 3.14Å; V337-S341 PolarHBondContact O-OG 3.22Å; V337-F373 HydrophobicContact CG2-CB 4.13Å; V337-M374 HydrophobicContact CG2-SD 4.28Å; V337-V377 HydrophobicContact CG1-CG2 3.71Å |
| 338 | V | 92.3 | Very high | 88.4 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 178.1 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | E312 R315 M316 L319 W334 E335 L340 S341 | E312-V338 HydrophobicContact CB-CG1 4.08Å; E312-V338 HydrophobicContact CG-CG1 4.42Å; E312-V338 WeakPolarHBondContact O-CG1 3.47Å; R315-V338 HydrophobicContact CB-CG1 4.25Å; R315-V338 HydrophobicContact CB-CG2 4.35Å; R315-V338 PolarHBondContact NE-O 3.3Å; R315-V338 PolarHBondContact NH2-O 2.91Å; M316-V338 HydrophobicContact CB-CG2 3.82Å; M316-V338 HydrophobicContact CG-CG2 4.24Å; L319-V338 HydrophobicContact CD1-CG2 3.85Å; W334-V338 WeakPolarHBondContact O-CB 3.3Å; W334-V338 WeakPolarHBondContact O-CG2 3.49Å; W334-V338 PolarHBondContact O-N 2.85Å; E335-V338 PolarHBondContact O-N 3.39Å; V338-L340 VanDerWaalsContact C-N 3.34Å; V338-S341 VanDerWaalsContact CA-OG 3.26Å; V338-S341 WeakPolarHBondContact CA-OG 3.4Å; V338-S341 PolarHBondContact O-N 2.95Å; V338-S341 PolarHBondContact O-OG 2.93Å; V338-S341 VanDerWaalsContact O-OG 3.08Å |
| 339 | K | 91.9 | Very high | 88.5 | Confident | 174 Ų | 174 | 56.2 Ų | 56.2 | 76% | 0.757 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.1 | -32.1 | 178.3 | -169 | 171.8 | -175.1 | 172.3 | 0 | 112.9 | E335 A336 | E335-K339 WeakPolarHBondContact O-CB 3.44Å; E335-K339 PolarHBondContact O-N 3.26Å; A336-K339 PolarHBondContact O-N 3.05Å |
| 340 | L | 89.9 | Confident | 88.8 | Confident | 77 Ų | 77 | 57.4 Ų | 57.4 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -84.1 | -18.2 | 176.3 | -71.2 | 175.7 | 0 | 0 | 0 | 113.9 | A336 V337 V338 D342 M374 V377 | A336-L340 PolarHBondContact O-N 3.43Å; V337-L340 PolarHBondContact O-N 3.2Å; V338-L340 VanDerWaalsContact C-N 3.34Å; L340-D342 VanDerWaalsContact C-N 3.28Å; L340-D342 PolarHBondContact O-N 3.22Å; L340-M374 HydrophobicContact CD1-CE 3.39Å; L340-M374 HydrophobicContact CD1-SD 3.69Å; L340-V377 HydrophobicContact CB-CG1 3.58Å |
| 341 | S | 87.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -92.2 | 36.1 | -177.2 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | R315 V337 V338 G343 F344 | R315-S341 WeakPolarHBondContact CD-O 3.25Å; R315-S341 PolarHBondContact NE-O 2.83Å; V337-S341 WeakPolarHBondContact O-CB 3.21Å; V337-S341 PolarHBondContact O-N 3.23Å; V337-S341 VanDerWaalsContact O-N 3.14Å; V337-S341 PolarHBondContact O-OG 3.22Å; V338-S341 VanDerWaalsContact CA-OG 3.26Å; V338-S341 WeakPolarHBondContact CA-OG 3.4Å; V338-S341 PolarHBondContact O-N 2.95Å; V338-S341 PolarHBondContact O-OG 2.93Å; V338-S341 VanDerWaalsContact O-OG 3.08Å; S341-G343 PolarHBondContact O-N 3.41Å; S341-F344 WeakPolarHBondContact O-CB 3.35Å; S341-F344 WeakPolarHBondContact O-CD1 3.42Å; S341-F344 PolarHBondContact O-N 2.97Å | ||
| 342 | D | 86.9 | Confident | 90.1 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 66% | 0.658 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 133.7 | -180 | -168.5 | 23.3 | 0 | 0 | 0 | 111.9 | L340 F344 | L340-D342 VanDerWaalsContact C-N 3.28Å; L340-D342 PolarHBondContact O-N 3.22Å; D342-F344 VanDerWaalsContact C-N 3.27Å; D342-F344 WeakPolarHBondContact O-CD1 3.37Å; D342-F344 PolarHBondContact O-N 3.4Å |
| 343 | G | 84.8 | Confident | 90.6 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 7.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116 | S341 K384 | S341-G343 PolarHBondContact O-N 3.41Å; G343-K384 WeakPolarHBondContact O-CE 3.41Å; G343-K384 PolarHBondContact O-NZ 2.99Å |
| 344 | F | 89.3 | Confident | 90.8 | Very high | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | trans | -69.6 | 140.6 | 179.9 | -79.7 | 34.2 | 0 | 0 | 0 | 111.4 | P310 S341 D342 D348 L349 V352 V377 I380 A381 K384 | P310-F344 VanDerWaalsContact CD-O 3.25Å; P310-F344 WeakPolarHBondContact CD-O 3.17Å; P310-F344 WeakPolarHBondContact CG-O 3.44Å; S341-F344 WeakPolarHBondContact O-CB 3.35Å; S341-F344 WeakPolarHBondContact O-CD1 3.42Å; S341-F344 PolarHBondContact O-N 2.97Å; D342-F344 VanDerWaalsContact C-N 3.27Å; D342-F344 WeakPolarHBondContact O-CD1 3.37Å; D342-F344 PolarHBondContact O-N 3.4Å; F344-D348 HydrophobicContact CB-CB 4Å; F344-D348 HydrophobicContact CD2-CB 3.77Å; F344-D348 HydrophobicContact CG-CB 4.04Å; F344-L349 HydrophobicContact CB-CD2 3.98Å; F344-L349 HydrophobicContact CB-CG 4.26Å; F344-L349 HydrophobicContact CD2-CD2 4.08Å; F344-L349 HydrophobicContact CG-CD2 4.48Å; F344-V352 HydrophobicContact CD2-CG2 4.07Å; F344-V352 HydrophobicContact CE2-CG2 3.72Å; F344-V377 HydrophobicContact CE2-CG1 4.36Å; F344-V377 HydrophobicContact CZ-CG1 4.21Å; F344-I380 HydrophobicContact CD2-CG2 4.29Å; F344-I380 HydrophobicContact CE2-CB 4.04Å; F344-I380 HydrophobicContact CE2-CG2 3.52Å; F344-I380 HydrophobicContact CZ-CB 4.19Å; F344-I380 HydrophobicContact CZ-CG2 3.78Å; F344-A381 HydrophobicContact CE1-CB 4.17Å; F344-A381 HydrophobicContact CZ-CB 3.96Å; F344-K384 HydrophobicContact CD1-CD 4.1Å; F344-K384 HydrophobicContact CE1-CD 4.28Å | ||
| 345 | N | 89 | Confident | 91 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | trans | -85.8 | 172.5 | 170.5 | 68.6 | 36.1 | 0 | 0 | 0 | 110.1 | L309 A347 D348 L349 | L309-N345 HydrophobicContact CD2-CB 4.18Å; N345-A347 VanDerWaalsContact C-N 3.27Å; N345-A347 PolarHBondContact O-N 2.89Å; N345-A347 WeakPolarHBondContact OD1-CA 3.29Å; N345-A347 WeakPolarHBondContact OD1-CB 3.14Å; N345-A347 PolarHBondContact OD1-N 3.44Å; N345-D348 VanDerWaalsContact CG-CG 3.41Å; N345-D348 PolarHBondContact N-OD2 2.87Å; N345-D348 PolarHBondContact ND2-OD2 3.14Å; N345-D348 PolarHBondContact O-N 2.9Å; N345-D348 PolarHBondContact OD1-N 3.19Å; N345-D348 PolarHBondContact OD1-OD1 2.92Å; N345-D348 PolarHBondContact OD1-OD2 3.46Å; N345-L349 WeakPolarHBondContact O-CG 3.05Å; N345-L349 PolarHBondContact O-N 3.16Å | ||
| 346 | G | 88.8 | Confident | 91.1 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 19% | 0.186 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -34 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | G183 L349 R350 | G183-G346 WeakPolarHBondContact O-CA 3.5Å; G183-G346 PolarHBondContact O-N 2.84Å; G183-G346 VanDerWaalsContact O-N 3.09Å; G346-L349 PolarHBondContact O-N 2.84Å; G346-R350 PolarHBondContact O-N 3.23Å |
| 347 | A | 90.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 34% | 0.339 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.8 | -36.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G183 N345 L349 R350 N351 | G183-A347 PolarHBondContact O-N 2.98Å; G183-A347 VanDerWaalsContact O-N 3.16Å; N345-A347 VanDerWaalsContact C-N 3.27Å; N345-A347 PolarHBondContact O-N 2.89Å; N345-A347 WeakPolarHBondContact OD1-CA 3.29Å; N345-A347 WeakPolarHBondContact OD1-CB 3.14Å; N345-A347 PolarHBondContact OD1-N 3.44Å; A347-L349 VanDerWaalsContact C-N 3.34Å; A347-R350 WeakPolarHBondContact O-CB 3.3Å; A347-R350 PolarHBondContact O-N 3.07Å; A347-N351 PolarHBondContact O-N 3.04Å |
| 348 | D | 92.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.07 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.8 | -60.6 | -27.7 | 0 | 0 | 0 | 110.1 | F344 N345 R350 N351 V352 I380 K384 | F344-D348 HydrophobicContact CB-CB 4Å; F344-D348 HydrophobicContact CD2-CB 3.77Å; F344-D348 HydrophobicContact CG-CB 4.04Å; N345-D348 VanDerWaalsContact CG-CG 3.41Å; N345-D348 PolarHBondContact N-OD2 2.87Å; N345-D348 PolarHBondContact ND2-OD2 3.14Å; N345-D348 PolarHBondContact O-N 2.9Å; N345-D348 PolarHBondContact OD1-N 3.19Å; N345-D348 PolarHBondContact OD1-OD1 2.92Å; N345-D348 PolarHBondContact OD1-OD2 3.46Å; D348-R350 VanDerWaalsContact C-N 3.33Å; D348-R350 PolarHBondContact O-N 2.94Å; D348-N351 CarbonylContact O-C 3.5Å; D348-N351 WeakPolarHBondContact O-CA 3.29Å; D348-N351 WeakPolarHBondContact O-CB 3.4Å; D348-N351 PolarHBondContact O-N 3.03Å; D348-V352 WeakPolarHBondContact O-CG2 3.24Å; D348-V352 PolarHBondContact O-N 3.22Å; D348-I380 HydrophobicContact CB-CG2 4.41Å; D348-K384 IonicContact OD2-NZ 2.69Å; D348-K384 PolarHBondContact OD2-NZ 3.15Å |
| 349 | L | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 176 | -62.4 | 174.1 | 0 | 0 | 0 | 111.8 | P310 R315 V318 L319 F344 N345 G346 A347 N351 V352 C353 | P310-L349 HydrophobicContact CG-CD1 4.49Å; R315-L349 HydrophobicContact CB-CD1 4.01Å; R315-L349 HydrophobicContact CG-CD1 4.04Å; V318-L349 HydrophobicContact CB-CD1 3.81Å; V318-L349 HydrophobicContact CG1-CB 3.88Å; V318-L349 HydrophobicContact CG1-CD1 3.69Å; V318-L349 HydrophobicContact CG1-CG 4.45Å; L319-L349 HydrophobicContact CD1-CD2 4.15Å; L319-L349 HydrophobicContact CD2-CB 4.12Å; L319-L349 HydrophobicContact CD2-CD2 3.97Å; L319-L349 HydrophobicContact CG-CB 4.39Å; L319-L349 HydrophobicContact CG-CD2 3.94Å; F344-L349 HydrophobicContact CB-CD2 3.98Å; F344-L349 HydrophobicContact CB-CG 4.26Å; F344-L349 HydrophobicContact CD2-CD2 4.08Å; F344-L349 HydrophobicContact CG-CD2 4.48Å; N345-L349 WeakPolarHBondContact O-CG 3.05Å; N345-L349 PolarHBondContact O-N 3.16Å; G346-L349 PolarHBondContact O-N 2.84Å; A347-L349 VanDerWaalsContact C-N 3.34Å; L349-N351 VanDerWaalsContact C-N 3.3Å; L349-N351 PolarHBondContact O-N 3.23Å; L349-V352 WeakPolarHBondContact O-CB 3.42Å; L349-V352 PolarHBondContact O-N 2.97Å; L349-C353 PolarHBondContact O-N 2.92Å |
| 350 | R | 92.6 | Very high | 91.6 | Very high | 154 Ų | 154 | 40.1 Ų | 40.1 | 58% | 0.581 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.9 | -39.5 | 170 | -178.4 | -177 | 172.3 | 174.6 | -1 | 111.6 | G346 A347 D348 V352 C353 T354 | G346-R350 PolarHBondContact O-N 3.23Å; A347-R350 WeakPolarHBondContact O-CB 3.3Å; A347-R350 PolarHBondContact O-N 3.07Å; D348-R350 VanDerWaalsContact C-N 3.33Å; D348-R350 PolarHBondContact O-N 2.94Å; R350-V352 VanDerWaalsContact C-N 3.35Å; R350-C353 PolarHBondContact O-N 3.46Å; R350-T354 PolarHBondContact O-N 3.06Å; R350-T354 VanDerWaalsContact O-N 3.11Å; R350-T354 PolarHBondContact O-OG1 2.69Å |
| 351 | N | 93.7 | Very high | 91.9 | Very high | 82 Ų | 82 | 42 Ų | 42 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.2 | -36.4 | 176 | -73.5 | -14.6 | 0 | 0 | 0 | 111.6 | A347 D348 L349 C353 T354 E355 I380 | A347-N351 PolarHBondContact O-N 3.04Å; D348-N351 CarbonylContact O-C 3.5Å; D348-N351 WeakPolarHBondContact O-CA 3.29Å; D348-N351 WeakPolarHBondContact O-CB 3.4Å; D348-N351 PolarHBondContact O-N 3.03Å; L349-N351 VanDerWaalsContact C-N 3.3Å; L349-N351 PolarHBondContact O-N 3.23Å; N351-C353 VanDerWaalsContact C-N 3.35Å; N351-C353 PolarHBondContact O-N 3.26Å; N351-T354 PolarHBondContact O-N 2.89Å; N351-T354 VanDerWaalsContact O-N 3.14Å; N351-E355 WeakPolarHBondContact O-CB 3.5Å; N351-E355 WeakPolarHBondContact O-CG 3.49Å; N351-E355 PolarHBondContact O-N 3.28Å; N351-I380 VanDerWaalsContact C-CD1 3.4Å; N351-I380 HydrophobicContact CB-CD1 3.81Å |
| 352 | V | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L319 F344 D348 L349 R350 T354 E355 A356 F373 A376 V377 I380 | L319-V352 HydrophobicContact CD2-CB 4.49Å; L319-V352 HydrophobicContact CD2-CG1 4.35Å; F344-V352 HydrophobicContact CD2-CG2 4.07Å; F344-V352 HydrophobicContact CE2-CG2 3.72Å; D348-V352 WeakPolarHBondContact O-CG2 3.24Å; D348-V352 PolarHBondContact O-N 3.22Å; L349-V352 WeakPolarHBondContact O-CB 3.42Å; L349-V352 PolarHBondContact O-N 2.97Å; R350-V352 VanDerWaalsContact C-N 3.35Å; V352-T354 VanDerWaalsContact C-N 3.28Å; V352-T354 PolarHBondContact O-N 3Å; V352-E355 PolarHBondContact O-N 3.03Å; V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.37Å; V352-F373 HydrophobicContact CG1-CD1 4.44Å; V352-A376 HydrophobicContact CG1-CB 4.24Å; V352-A376 WeakPolarHBondContact O-CB 3.45Å; V352-V377 HydrophobicContact CG1-CG2 3.58Å; V352-V377 HydrophobicContact CG2-CG2 4.06Å; V352-I380 VanDerWaalsContact CA-CD1 3.43Å; V352-I380 HydrophobicContact CB-CD1 4.09Å; V352-I380 HydrophobicContact CG2-CD1 3.54Å |
| 353 | C | 93.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 177.5 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | H322 I326 L349 R350 N351 G357 | H322-C353 HydrophobicContact CB-CB 4.2Å; I326-C353 HydrophobicContact CD1-CB 3.73Å; I326-C353 WeakPolarHBondContact CD1-O 3.33Å; L349-C353 PolarHBondContact O-N 2.92Å; R350-C353 PolarHBondContact O-N 3.46Å; N351-C353 VanDerWaalsContact C-N 3.35Å; N351-C353 PolarHBondContact O-N 3.26Å; C353-G357 PolarHBondContact O-N 2.81Å |
| 354 | T | 94.9 | Very high | 92.8 | Very high | 79 Ų | 79 | 54.1 Ų | 54.1 | 49% | 0.485 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.1 | -45.8 | 179.6 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | R350 N351 V352 A356 G357 M358 | R350-T354 PolarHBondContact O-N 3.06Å; R350-T354 VanDerWaalsContact O-N 3.11Å; R350-T354 PolarHBondContact O-OG1 2.69Å; N351-T354 PolarHBondContact O-N 2.89Å; N351-T354 VanDerWaalsContact O-N 3.14Å; V352-T354 VanDerWaalsContact C-N 3.28Å; V352-T354 PolarHBondContact O-N 3Å; T354-A356 VanDerWaalsContact C-N 3.34Å; T354-A356 PolarHBondContact O-N 3.14Å; T354-G357 PolarHBondContact O-N 3.21Å; T354-M358 WeakPolarHBondContact O-CG 3.19Å; T354-M358 PolarHBondContact O-N 3.5Å |
| 355 | E | 94.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 177.1 | -77.5 | -72.9 | 173.4 | 0 | 0 | 112.1 | N351 V352 G357 M358 F359 A376 K379 I380 | N351-E355 WeakPolarHBondContact O-CB 3.5Å; N351-E355 WeakPolarHBondContact O-CG 3.49Å; N351-E355 PolarHBondContact O-N 3.28Å; V352-E355 PolarHBondContact O-N 3.03Å; E355-G357 VanDerWaalsContact C-N 3.31Å; E355-G357 PolarHBondContact O-N 2.68Å; E355-M358 WeakPolarHBondContact O-CB 3.49Å; E355-M358 PolarHBondContact O-N 2.83Å; E355-M358 VanDerWaalsContact O-N 3.11Å; E355-F359 WeakPolarHBondContact O-CD2 3.31Å; E355-F359 PolarHBondContact O-N 2.87Å; E355-A376 HydrophobicContact CB-CB 3.71Å; E355-K379 IonicContact OE1-NZ 3.15Å; E355-K379 PolarHBondContact OE1-NZ 2.95Å; E355-K379 IonicContact OE2-NZ 2.77Å; E355-K379 PolarHBondContact OE2-NZ 3.24Å; E355-I380 HydrophobicContact CB-CD1 4.47Å; E355-I380 HydrophobicContact CG-CD1 4.16Å; E355-I380 HydrophobicContact CG-CG1 4.49Å |
| 356 | A | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V352 T354 M358 F359 A360 D372 F373 A376 | V352-A356 WeakPolarHBondContact O-CB 3.5Å; V352-A356 PolarHBondContact O-N 3.37Å; T354-A356 VanDerWaalsContact C-N 3.34Å; T354-A356 PolarHBondContact O-N 3.14Å; A356-M358 VanDerWaalsContact C-N 3.34Å; A356-M358 PolarHBondContact O-N 2.85Å; A356-F359 PolarHBondContact O-N 2.78Å; A356-A360 PolarHBondContact O-N 3.32Å; A356-A360 VanDerWaalsContact O-N 3.16Å; A356-D372 HydrophobicContact CB-CB 4.27Å; A356-F373 HydrophobicContact CB-CD1 3.7Å; A356-F373 HydrophobicContact CB-CD2 4.23Å; A356-F373 HydrophobicContact CB-CE1 3.75Å; A356-F373 HydrophobicContact CB-CE2 4.26Å; A356-F373 HydrophobicContact CB-CG 3.95Å; A356-F373 HydrophobicContact CB-CZ 4.04Å; A356-A376 HydrophobicContact CB-CB 4.21Å |
| 357 | G | 93.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 66.8 Ų | 66.8 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | C353 T354 E355 F359 A360 I361 | C353-G357 PolarHBondContact O-N 2.81Å; T354-G357 PolarHBondContact O-N 3.21Å; E355-G357 VanDerWaalsContact C-N 3.31Å; E355-G357 PolarHBondContact O-N 2.68Å; G357-F359 VanDerWaalsContact C-N 3.35Å; G357-F359 PolarHBondContact O-N 3Å; G357-A360 PolarHBondContact O-N 2.91Å; G357-I361 WeakPolarHBondContact O-CG1 3.4Å; G357-I361 PolarHBondContact O-N 3.08Å |
| 358 | M | 94.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 65 Ų | 65 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 177 | -68.2 | -60.5 | -64.7 | 0 | 0 | 113.1 | T354 E355 A356 I361 R362 | T354-M358 WeakPolarHBondContact O-CG 3.19Å; T354-M358 PolarHBondContact O-N 3.5Å; E355-M358 WeakPolarHBondContact O-CB 3.49Å; E355-M358 PolarHBondContact O-N 2.83Å; E355-M358 VanDerWaalsContact O-N 3.11Å; A356-M358 VanDerWaalsContact C-N 3.34Å; A356-M358 PolarHBondContact O-N 2.85Å; M358-I361 HydrophobicContact SD-CD1 4.33Å; M358-R362 WeakPolarHBondContact O-CB 3.43Å; M358-R362 PolarHBondContact O-N 3.04Å |
| 359 | F | 94 | Very high | 93.3 | Very high | 39 Ų | 39 | 66.8 Ų | 66.8 | 17% | 0.171 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 173.6 | -75.9 | -65.7 | 0 | 0 | 0 | 112.4 | E355 A356 G357 R362 A363 D372 K375 A376 K379 | E355-F359 WeakPolarHBondContact O-CD2 3.31Å; E355-F359 PolarHBondContact O-N 2.87Å; A356-F359 PolarHBondContact O-N 2.78Å; G357-F359 VanDerWaalsContact C-N 3.35Å; G357-F359 PolarHBondContact O-N 3Å; F359-R362 PolarHBondContact O-N 2.85Å; F359-A363 PolarHBondContact O-N 2.76Å; F359-A363 VanDerWaalsContact O-N 3.12Å; F359-D372 HydrophobicContact CB-CB 4.12Å; F359-K375 HydrophobicContact CD2-CB 4.2Å; F359-K375 HydrophobicContact CE2-CB 3.94Å; F359-K375 HydrophobicContact CZ-CB 4.1Å; F359-A376 HydrophobicContact CD2-CB 4.35Å; F359-A376 HydrophobicContact CE2-CB 4.22Å; F359-K379 HydrophobicContact CZ-CD 4.26Å |
| 360 | A | 93.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A356 G357 R362 A363 E364 R365 Y367 T368 | A356-A360 PolarHBondContact O-N 3.32Å; A356-A360 VanDerWaalsContact O-N 3.16Å; G357-A360 PolarHBondContact O-N 2.91Å; A360-R362 VanDerWaalsContact C-N 3.35Å; A360-R362 PolarHBondContact O-N 2.89Å; A360-A363 CarbonylContact O-C 3.55Å; A360-A363 PolarHBondContact O-N 3.3Å; A360-A363 VanDerWaalsContact O-N 3.1Å; A360-E364 PolarHBondContact O-N 3.03Å; A360-R365 PolarHBondContact O-N 2.75Å; A360-Y367 WeakPolarHBondContact CB-O 3.38Å; A360-T368 HydrophobicContact CB-CG2 3.89Å |
| 361 | I | 94.9 | Very high | 93.2 | Very high | 118 Ų | 118 | 68.8 Ų | 68.8 | 61% | 0.605 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 176.4 | -66.8 | 166.6 | 0 | 0 | 0 | 111.1 | G357 M358 A363 E364 | G357-I361 WeakPolarHBondContact O-CG1 3.4Å; G357-I361 PolarHBondContact O-N 3.08Å; M358-I361 HydrophobicContact SD-CD1 4.33Å; I361-A363 PolarHBondContact O-N 2.83Å; I361-E364 PolarHBondContact O-N 2.89Å |
| 362 | R | 94.3 | Very high | 93.2 | Very high | 167 Ų | 167 | 65 Ų | 65 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.6 | -25.9 | 178 | -171.4 | 178.6 | -65.4 | 140 | 3.8 | 112.8 | M358 F359 A360 E364 | M358-R362 WeakPolarHBondContact O-CB 3.43Å; M358-R362 PolarHBondContact O-N 3.04Å; F359-R362 PolarHBondContact O-N 2.85Å; A360-R362 VanDerWaalsContact C-N 3.35Å; A360-R362 PolarHBondContact O-N 2.89Å; R362-E364 VanDerWaalsContact C-N 3.32Å |
| 363 | A | 93.5 | Very high | 93.1 | Very high | 52 Ų | 52 | 65 Ų | 65 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 8.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | F359 A360 I361 R365 | F359-A363 PolarHBondContact O-N 2.76Å; F359-A363 VanDerWaalsContact O-N 3.12Å; A360-A363 CarbonylContact O-C 3.55Å; A360-A363 PolarHBondContact O-N 3.3Å; A360-A363 VanDerWaalsContact O-N 3.1Å; I361-A363 PolarHBondContact O-N 2.83Å; A363-R365 HydrophobicContact CB-CG 4.41Å; A363-R365 PolarHBondContact O-N 3.35Å |
| 364 | E | 92.3 | Very high | 93 | Very high | 185 Ų | 185 | 66.8 Ų | 66.8 | 86% | 0.864 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 36.4 | -177.4 | -58.5 | 179.9 | 175.9 | 0 | 0 | 113 | A360 I361 R362 | A360-E364 PolarHBondContact O-N 3.03Å; I361-E364 PolarHBondContact O-N 2.89Å; R362-E364 VanDerWaalsContact C-N 3.32Å |
| 365 | R | 91.2 | Very high | 92.9 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | trans | -108.5 | 138.8 | 176.5 | -69 | -177.5 | -76.2 | 122.2 | -7 | 111.4 | A360 A363 Y367 D372 | A360-R365 PolarHBondContact O-N 2.75Å; A363-R365 HydrophobicContact CB-CG 4.41Å; A363-R365 PolarHBondContact O-N 3.35Å; R365-Y367 VanDerWaalsContact C-N 3.25Å; R365-Y367 PolarHBondContact NH1-O 2.95Å; R365-Y367 VanDerWaalsContact NH1-O 3.14Å; R365-Y367 PolarHBondContact O-N 2.71Å; R365-D372 IonicContact CZ-OD1 3.44Å; R365-D372 IonicContact CZ-OD2 3.09Å; R365-D372 VanDerWaalsContact CZ-OD2 3.31Å; R365-D372 IonicContact NH1-OD1 3.89Å; R365-D372 IonicContact NH1-OD2 2.76Å; R365-D372 PolarHBondContact NH1-OD2 3.39Å; R365-D372 VanDerWaalsContact NH2-CG 3.26Å; R365-D372 IonicContact NH2-OD1 3.26Å; R365-D372 PolarHBondContact NH2-OD1 3.36Å; R365-D372 IonicContact NH2-OD2 2.83Å; R365-D372 PolarHBondContact NH2-OD2 2.79Å | ||
| 366 | D | 92.5 | Very high | 92.9 | Very high | 156 Ų | 156 | 65.1 Ų | 65.1 | 83% | 0.834 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -82.9 | -0.1 | 174.9 | -60.5 | -22.1 | 0 | 0 | 0 | 113.3 | ||
| 367 | Y | 91.9 | Very high | 92.9 | Very high | 101 Ų | 101 | 65.1 Ų | 65.1 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -138.4 | 150.5 | -178 | 58.7 | -92.4 | 0 | 0 | 0 | 111.8 | H329 A360 R365 I369 | H329-Y367 HydrophobicContact CB-CD2 3.44Å; H329-Y367 VanDerWaalsContact CB-CD2 3.44Å; H329-Y367 HydrophobicContact CB-CE2 3.91Å; H329-Y367 HydrophobicContact CB-CG 3.96Å; A360-Y367 WeakPolarHBondContact CB-O 3.38Å; R365-Y367 VanDerWaalsContact C-N 3.25Å; R365-Y367 PolarHBondContact NH1-O 2.95Å; R365-Y367 VanDerWaalsContact NH1-O 3.14Å; R365-Y367 PolarHBondContact O-N 2.71Å; Y367-I369 HydrophobicContact CD2-CG2 3.98Å; Y367-I369 HydrophobicContact CE2-CG2 3.81Å |
| 368 | T | 91.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -89.4 | 144 | 174.5 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | I326 A327 K328 H329 A360 | I326-T368 HydrophobicContact CG2-CG2 3.67Å; I326-T368 WeakPolarHBondContact CG2-OG1 3.45Å; A327-T368 PolarHBondContact O-N 2.66Å; A327-T368 PolarHBondContact O-OG1 3.37Å; K328-T368 WeakPolarHBondContact CA-O 3.38Å; K328-T368 WeakPolarHBondContact CG-OG1 3.43Å; H329-T368 PolarHBondContact N-O 3.11Å; A360-T368 HydrophobicContact CB-CG2 3.89Å |
| 369 | I | 91.9 | Very high | 92.7 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | trans | -114.6 | 164.9 | 172.7 | 63.9 | -179.6 | 0 | 0 | 0 | 110.3 | Y367 E371 D372 | Y367-I369 HydrophobicContact CD2-CG2 3.98Å; Y367-I369 HydrophobicContact CE2-CG2 3.81Å; I369-E371 VanDerWaalsContact C-N 3.25Å; I369-E371 HydrophobicContact CD1-CB 4.05Å; I369-E371 HydrophobicContact CD1-CG 4.36Å; I369-E371 HydrophobicContact CG1-CB 4.11Å; I369-E371 PolarHBondContact O-N 3.48Å; I369-D372 WeakPolarHBondContact CG1-OD2 3.08Å; I369-D372 PolarHBondContact N-OD2 3.19Å; I369-D372 WeakPolarHBondContact O-CB 3.43Å; I369-D372 PolarHBondContact O-N 3.07Å | ||
| 370 | E | 91.3 | Very high | 92.6 | Very high | 80 Ų | 80 | 70.9 Ų | 70.9 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52.4 | -41.2 | 178.5 | -170.5 | -168.6 | 166.1 | 0 | 0 | 113 | D372 F373 M374 | E370-D372 PolarHBondContact O-N 2.91Å; E370-F373 PolarHBondContact O-N 3.31Å; E370-F373 VanDerWaalsContact O-N 3.16Å; E370-M374 PolarHBondContact O-N 3.29Å; E370-M374 VanDerWaalsContact O-N 3.09Å |
| 371 | E | 91.3 | Very high | 92.4 | Very high | 116 Ų | 116 | 71.7 Ų | 71.7 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -32.2 | 177.9 | -66.4 | -165.7 | 178.7 | 0 | 0 | 113.6 | I369 M374 K375 | I369-E371 VanDerWaalsContact C-N 3.25Å; I369-E371 HydrophobicContact CD1-CB 4.05Å; I369-E371 HydrophobicContact CD1-CG 4.36Å; I369-E371 HydrophobicContact CG1-CB 4.11Å; I369-E371 PolarHBondContact O-N 3.48Å; E371-M374 PolarHBondContact O-N 3.43Å; E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 VanDerWaalsContact O-CG 3.28Å; E371-K375 WeakPolarHBondContact O-CG 3.39Å; E371-K375 PolarHBondContact O-N 3.28Å; E371-K375 IonicContact OE2-NZ 2.85Å; E371-K375 PolarHBondContact OE2-NZ 2.89Å |
| 372 | D | 93.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | -179.6 | -62.4 | -32.3 | 0 | 0 | 0 | 110.4 | A356 F359 R365 I369 E370 K375 A376 | A356-D372 HydrophobicContact CB-CB 4.27Å; F359-D372 HydrophobicContact CB-CB 4.12Å; R365-D372 IonicContact CZ-OD1 3.44Å; R365-D372 IonicContact CZ-OD2 3.09Å; R365-D372 VanDerWaalsContact CZ-OD2 3.31Å; R365-D372 IonicContact NH1-OD1 3.89Å; R365-D372 IonicContact NH1-OD2 2.76Å; R365-D372 PolarHBondContact NH1-OD2 3.39Å; R365-D372 VanDerWaalsContact NH2-CG 3.26Å; R365-D372 IonicContact NH2-OD1 3.26Å; R365-D372 PolarHBondContact NH2-OD1 3.36Å; R365-D372 IonicContact NH2-OD2 2.83Å; R365-D372 PolarHBondContact NH2-OD2 2.79Å; I369-D372 WeakPolarHBondContact CG1-OD2 3.08Å; I369-D372 PolarHBondContact N-OD2 3.19Å; I369-D372 WeakPolarHBondContact O-CB 3.43Å; I369-D372 PolarHBondContact O-N 3.07Å; E370-D372 PolarHBondContact O-N 2.91Å; D372-K375 PolarHBondContact O-N 3.23Å; D372-A376 VanDerWaalsContact O-CB 3.27Å; D372-A376 WeakPolarHBondContact O-CB 2.92Å; D372-A376 PolarHBondContact O-N 2.81Å |
| 373 | F | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.5 | -71.9 | -84.6 | 0 | 0 | 0 | 111.2 | I332 W334 V337 V352 A356 E370 K375 A376 V377 | I332-F373 HydrophobicContact CD1-CD2 3.93Å; I332-F373 HydrophobicContact CD1-CE2 3.51Å; I332-F373 HydrophobicContact CD1-CZ 4.24Å; I332-F373 HydrophobicContact CG2-CD2 4.45Å; W334-F373 HydrophobicContact CH2-CE1 4.15Å; W334-F373 HydrophobicContact CH2-CZ 4.18Å; W334-F373 HydrophobicContact CZ3-CD1 4.33Å; W334-F373 HydrophobicContact CZ3-CE1 4.23Å; V337-F373 HydrophobicContact CG2-CB 4.13Å; V352-F373 HydrophobicContact CG1-CD1 4.44Å; A356-F373 HydrophobicContact CB-CD1 3.7Å; A356-F373 HydrophobicContact CB-CD2 4.23Å; A356-F373 HydrophobicContact CB-CE1 3.75Å; A356-F373 HydrophobicContact CB-CE2 4.26Å; A356-F373 HydrophobicContact CB-CG 3.95Å; A356-F373 HydrophobicContact CB-CZ 4.04Å; E370-F373 PolarHBondContact O-N 3.31Å; E370-F373 VanDerWaalsContact O-N 3.16Å; F373-K375 PolarHBondContact O-N 3.21Å; F373-A376 PolarHBondContact O-N 3.45Å; F373-V377 WeakPolarHBondContact O-CG2 2.93Å; F373-V377 PolarHBondContact O-N 2.8Å |
| 374 | M | 92.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 65 Ų | 65 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.9 | -68.5 | -66 | -82.6 | 0 | 0 | 112.4 | A336 V337 L340 E370 E371 R378 | A336-M374 HydrophobicContact CB-CE 4.48Å; A336-M374 HydrophobicContact CB-SD 4.33Å; V337-M374 HydrophobicContact CG2-SD 4.28Å; L340-M374 HydrophobicContact CD1-CE 3.39Å; L340-M374 HydrophobicContact CD1-SD 3.69Å; E370-M374 PolarHBondContact O-N 3.29Å; E370-M374 VanDerWaalsContact O-N 3.09Å; E371-M374 PolarHBondContact O-N 3.43Å; M374-R378 WeakPolarHBondContact O-CG 3.33Å; M374-R378 PolarHBondContact O-N 2.78Å |
| 375 | K | 92.7 | Very high | 90.6 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 173.8 | -72.3 | 166.7 | -168.4 | 155.7 | 0 | 111.3 | F359 E371 D372 F373 R378 K379 | F359-K375 HydrophobicContact CD2-CB 4.2Å; F359-K375 HydrophobicContact CE2-CB 3.94Å; F359-K375 HydrophobicContact CZ-CB 4.1Å; E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 VanDerWaalsContact O-CG 3.28Å; E371-K375 WeakPolarHBondContact O-CG 3.39Å; E371-K375 PolarHBondContact O-N 3.28Å; E371-K375 IonicContact OE2-NZ 2.85Å; E371-K375 PolarHBondContact OE2-NZ 2.89Å; D372-K375 PolarHBondContact O-N 3.23Å; F373-K375 PolarHBondContact O-N 3.21Å; K375-R378 PolarHBondContact O-N 3.22Å; K375-K379 PolarHBondContact O-N 2.95Å; K375-K379 VanDerWaalsContact O-N 3.08Å |
| 376 | A | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V352 E355 A356 F359 D372 F373 R378 K379 I380 | V352-A376 HydrophobicContact CG1-CB 4.24Å; V352-A376 WeakPolarHBondContact O-CB 3.45Å; E355-A376 HydrophobicContact CB-CB 3.71Å; A356-A376 HydrophobicContact CB-CB 4.21Å; F359-A376 HydrophobicContact CD2-CB 4.35Å; F359-A376 HydrophobicContact CE2-CB 4.22Å; D372-A376 VanDerWaalsContact O-CB 3.27Å; D372-A376 WeakPolarHBondContact O-CB 2.92Å; D372-A376 PolarHBondContact O-N 2.81Å; F373-A376 PolarHBondContact O-N 3.45Å; A376-R378 PolarHBondContact O-N 2.82Å; A376-K379 PolarHBondContact O-N 2.9Å; A376-I380 PolarHBondContact O-N 2.9Å |
| 377 | V | 93.6 | Very high | 89 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | V337 L340 F344 V352 F373 K379 I380 A381 | V337-V377 HydrophobicContact CG1-CG2 3.71Å; L340-V377 HydrophobicContact CB-CG1 3.58Å; F344-V377 HydrophobicContact CE2-CG1 4.36Å; F344-V377 HydrophobicContact CZ-CG1 4.21Å; V352-V377 HydrophobicContact CG1-CG2 3.58Å; V352-V377 HydrophobicContact CG2-CG2 4.06Å; F373-V377 WeakPolarHBondContact O-CG2 2.93Å; F373-V377 PolarHBondContact O-N 2.8Å; V377-K379 PolarHBondContact O-N 3.01Å; V377-I380 PolarHBondContact O-N 2.81Å; V377-A381 VanDerWaalsContact O-CB 3.23Å; V377-A381 WeakPolarHBondContact O-CB 3.37Å; V377-A381 PolarHBondContact O-N 3.09Å |
| 378 | R | 92.2 | Very high | 87.9 | Confident | 157 Ų | 157 | 68.1 Ų | 68.1 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.9 | -45.3 | 178.2 | -70.9 | 179 | -171.5 | 173 | 4.4 | 112 | M374 K375 A376 I380 A381 D382 | M374-R378 WeakPolarHBondContact O-CG 3.33Å; M374-R378 PolarHBondContact O-N 2.78Å; K375-R378 PolarHBondContact O-N 3.22Å; A376-R378 PolarHBondContact O-N 2.82Å; R378-I380 PolarHBondContact O-N 3.15Å; R378-A381 PolarHBondContact O-N 2.92Å; R378-D382 PolarHBondContact O-N 2.9Å |
| 379 | K | 92.3 | Very high | 86.7 | Confident | 94 Ų | 94 | 76.8 Ų | 76.8 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 177.7 | -175.2 | -173.8 | 177.5 | -161 | 0 | 111.8 | E355 F359 K375 A376 V377 D382 A383 | E355-K379 IonicContact OE1-NZ 3.15Å; E355-K379 PolarHBondContact OE1-NZ 2.95Å; E355-K379 IonicContact OE2-NZ 2.77Å; E355-K379 PolarHBondContact OE2-NZ 3.24Å; F359-K379 HydrophobicContact CZ-CD 4.26Å; K375-K379 PolarHBondContact O-N 2.95Å; K375-K379 VanDerWaalsContact O-N 3.08Å; A376-K379 PolarHBondContact O-N 2.9Å; V377-K379 PolarHBondContact O-N 3.01Å; K379-D382 PolarHBondContact O-N 2.87Å; K379-A383 PolarHBondContact O-N 3.14Å; K379-A383 VanDerWaalsContact O-N 3.13Å |
| 380 | I | 91.3 | Very high | 85.1 | Confident | 18 Ų | 18 | 78.7 Ų | 78.7 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.8 | -37.6 | -179.9 | -67.9 | 168.1 | 0 | 0 | 0 | 111.1 | F344 D348 N351 V352 E355 A376 V377 R378 D382 A383 K384 | F344-I380 HydrophobicContact CD2-CG2 4.29Å; F344-I380 HydrophobicContact CE2-CB 4.04Å; F344-I380 HydrophobicContact CE2-CG2 3.52Å; F344-I380 HydrophobicContact CZ-CB 4.19Å; F344-I380 HydrophobicContact CZ-CG2 3.78Å; D348-I380 HydrophobicContact CB-CG2 4.41Å; N351-I380 VanDerWaalsContact C-CD1 3.4Å; N351-I380 HydrophobicContact CB-CD1 3.81Å; V352-I380 VanDerWaalsContact CA-CD1 3.43Å; V352-I380 HydrophobicContact CB-CD1 4.09Å; V352-I380 HydrophobicContact CG2-CD1 3.54Å; E355-I380 HydrophobicContact CB-CD1 4.47Å; E355-I380 HydrophobicContact CG-CD1 4.16Å; E355-I380 HydrophobicContact CG-CG1 4.49Å; A376-I380 PolarHBondContact O-N 2.9Å; V377-I380 PolarHBondContact O-N 2.81Å; R378-I380 PolarHBondContact O-N 3.15Å; I380-D382 VanDerWaalsContact C-N 3.3Å; I380-D382 PolarHBondContact O-N 2.99Å; I380-A383 PolarHBondContact O-N 3.33Å; I380-K384 WeakPolarHBondContact O-CB 3.42Å; I380-K384 PolarHBondContact O-N 3.21Å |
| 381 | A | 89.8 | Confident | 83.5 | Confident | 22 Ų | 22 | 82.1 Ų | 82.1 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F344 V377 R378 K384 K385 | F344-A381 HydrophobicContact CE1-CB 4.17Å; F344-A381 HydrophobicContact CZ-CB 3.96Å; V377-A381 VanDerWaalsContact O-CB 3.23Å; V377-A381 WeakPolarHBondContact O-CB 3.37Å; V377-A381 PolarHBondContact O-N 3.09Å; R378-A381 PolarHBondContact O-N 2.92Å; A381-K384 PolarHBondContact O-N 3.09Å; A381-K385 WeakPolarHBondContact O-CG 3.32Å; A381-K385 PolarHBondContact O-N 2.9Å; A381-K385 VanDerWaalsContact O-N 3.14Å |
| 382 | D | 88.3 | Confident | 82 | Confident | 89 Ų | 89 | 79.8 Ų | 79.8 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 176.6 | -71.3 | -24.1 | 0 | 0 | 0 | 112.3 | R378 K379 I380 K384 K385 | R378-D382 PolarHBondContact O-N 2.9Å; K379-D382 PolarHBondContact O-N 2.87Å; I380-D382 VanDerWaalsContact C-N 3.3Å; I380-D382 PolarHBondContact O-N 2.99Å; D382-K384 VanDerWaalsContact C-N 3.35Å; D382-K385 PolarHBondContact O-N 2.95Å; D382-K385 IonicContact OD1-NZ 2.79Å; D382-K385 PolarHBondContact OD1-NZ 3.17Å |
| 383 | A | 87.1 | Confident | 80.2 | Confident | 54 Ų | 54 | 87.8 Ų | 87.8 | 45% | 0.446 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K379 I380 K385 L386 | K379-A383 PolarHBondContact O-N 3.14Å; K379-A383 VanDerWaalsContact O-N 3.13Å; I380-A383 PolarHBondContact O-N 3.33Å; A383-K385 VanDerWaalsContact C-N 3.31Å; A383-K385 PolarHBondContact O-N 3.33Å; A383-L386 WeakPolarHBondContact O-CB 3.37Å; A383-L386 PolarHBondContact O-N 2.91Å |
| 384 | K | 83.1 | Confident | 78.6 | Confident | 52 Ų | 52 | 92.6 Ų | 92.6 | 23% | 0.226 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.5 | -29.5 | -179.1 | -171.6 | 163.5 | -169.2 | 151.5 | 0 | 113.4 | G343 F344 D348 I380 A381 D382 L386 E387 | G343-K384 WeakPolarHBondContact O-CE 3.41Å; G343-K384 PolarHBondContact O-NZ 2.99Å; F344-K384 HydrophobicContact CD1-CD 4.1Å; F344-K384 HydrophobicContact CE1-CD 4.28Å; D348-K384 IonicContact OD2-NZ 2.69Å; D348-K384 PolarHBondContact OD2-NZ 3.15Å; I380-K384 WeakPolarHBondContact O-CB 3.42Å; I380-K384 PolarHBondContact O-N 3.21Å; A381-K384 PolarHBondContact O-N 3.09Å; D382-K384 VanDerWaalsContact C-N 3.35Å; K384-L386 PolarHBondContact O-N 3.24Å; K384-E387 WeakPolarHBondContact O-CB 3.39Å; K384-E387 PolarHBondContact O-N 3.28Å; K384-E387 VanDerWaalsContact O-N 3.08Å |
| 385 | K | 78.2 | Confident | 76.7 | Confident | 159 Ų | 159 | 95.5 Ų | 95.5 | 69% | 0.691 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.6 | 172.8 | -72.7 | 168.7 | -166.6 | 160.7 | 0 | 112.8 | A381 D382 A383 | A381-K385 WeakPolarHBondContact O-CG 3.32Å; A381-K385 PolarHBondContact O-N 2.9Å; A381-K385 VanDerWaalsContact O-N 3.14Å; D382-K385 PolarHBondContact O-N 2.95Å; D382-K385 IonicContact OD1-NZ 2.79Å; D382-K385 PolarHBondContact OD1-NZ 3.17Å; A383-K385 VanDerWaalsContact C-N 3.31Å; A383-K385 PolarHBondContact O-N 3.33Å |
| 386 | L | 76.6 | Confident | 75.9 | Confident | 155 Ų | 155 | 95.7 Ų | 95.7 | 81% | 0.812 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18 | 176.5 | -59.7 | 168.4 | 0 | 0 | 0 | 112.3 | A383 K384 | A383-L386 WeakPolarHBondContact O-CB 3.37Å; A383-L386 PolarHBondContact O-N 2.91Å; K384-L386 PolarHBondContact O-N 3.24Å |
| 387 | E | 74.4 | Confident | 75 | Confident | 118 Ų | 118 | 100.7 Ų | 100.7 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -74.6 | 140.6 | 179.3 | -64.1 | -172.1 | 157.9 | 0 | 0 | 111.3 | K384 K389 | K384-E387 WeakPolarHBondContact O-CB 3.39Å; K384-E387 PolarHBondContact O-N 3.28Å; K384-E387 VanDerWaalsContact O-N 3.08Å; E387-K389 PolarHBondContact O-N 3.18Å |
| 388 | T | 68.4 | Low | 73.9 | Confident | 126 Ų | 126 | 106.3 Ų | 106.3 | 77% | 0.773 | 54% | 0.535 | S | S | * | . | trans | -65.4 | 123.5 | 175.4 | -46.9 | 0 | 0 | 0 | 0 | 109.2 | L390 | T388-L390 PolarHBondContact O-N 3.29Š| ||
| 389 | K | 65.4 | Low | 72.9 | Confident | 186 Ų | 186 | 103.3 Ų | 103.3 | 81% | 0.809 | 53% | 0.531 | S | S | * | . | trans | -64.4 | 105 | 168.4 | -69.1 | -172.3 | 179.1 | -175 | 0 | 108.4 | E387 D391 | E387-K389 PolarHBondContact O-N 3.18Å; K389-D391 PolarHBondContact O-N 3.23Å; K389-D391 VanDerWaalsContact O-N 3.16Å | ||
| 390 | L | 58.2 | Low | 71.7 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | trans | -75.8 | 95.2 | 168.1 | -85.6 | 147.1 | 0 | 0 | 0 | 107.6 | T388 Y392 | T388-L390 PolarHBondContact O-N 3.29Å; L390-Y392 HydrophobicContact CB-CE2 4.07Å; L390-Y392 WeakPolarHBondContact O-CD2 3.42Å; L390-Y392 PolarHBondContact O-N 3.42Å | ||
| 391 | D | 58.5 | Low | 70.3 | Confident | 151 Ų | 151 | 109.6 Ų | 109.6 | 81% | 0.807 | 57% | 0.569 | S | S | * | * | trans | -71.5 | 112 | 169.6 | -75.4 | -26.1 | 0 | 0 | 0 | 108.8 | K389 | K389-D391 PolarHBondContact O-N 3.23Å; K389-D391 VanDerWaalsContact O-N 3.16Å | ||
| 392 | Y | 59.5 | Low | 69 | Low | 67 Ų | 67 | 115.9 Ų | 115.9 | 26% | 0.263 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -82.2 | 129.1 | 175.5 | -73.8 | -72.5 | 0 | 0 | 0 | 110.5 | P181 P182 N286 R287 L390 | P181-Y392 HydrophobicContact CB-CE2 3.92Å; P181-Y392 HydrophobicContact CG-CD2 4.17Å; P181-Y392 HydrophobicContact CG-CE2 3.99Å; P182-Y392 VanDerWaalsContact CD-OH 3.29Å; P182-Y392 WeakPolarHBondContact CD-OH 3.2Å; N286-Y392 WeakPolarHBondContact O-CE1 3.35Å; N286-Y392 VanDerWaalsContact O-CZ 3.26Å; N286-Y392 PolarHBondContact O-OH 3.16Å; R287-Y392 HydrophobicContact CG-CE1 4.37Å; L390-Y392 HydrophobicContact CB-CE2 4.07Å; L390-Y392 WeakPolarHBondContact O-CD2 3.42Å; L390-Y392 PolarHBondContact O-N 3.42Å |
| 393 | K | 56.5 | Low | 67.5 | Low | 172 Ų | 172 | 117.9 Ų | 117.9 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 124 | 161.8 | -70.4 | -176 | 178.8 | 178.3 | 0 | 107.9 | ||
| 394 | P | 58.5 | Low | 65.8 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 153.1 | 172 | 25.8 | -32.3 | 0 | 0 | 0 | 110.5 | ||
| 395 | V | 52.8 | Low | 64.3 | Low | 103 Ų | 103 | 129.7 Ų | 129.7 | 62% | 0.624 | 65% | 0.654 | S | S | * | * | trans | -65.5 | 0 | 178.4 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | P288 L296 | P288-V395 HydrophobicContact CB-CG2 3.48Å; P288-V395 VanDerWaalsContact CB-CG2 3.48Å; P288-V395 HydrophobicContact CG-CG2 3.91Å; L296-V395 HydrophobicContact CD1-CG1 3.86Å |
Retrieved 395 of 395 residues in 144.6 ms
(Link to these results)