| 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 | 33.6 | Very low | 54.4 | Low | 230 Ų | 230 | 134.1 Ų | 134.1 | 100% | 1.133 | 73% | 0.732 | S | S | * | * | 0 | 98.4 | 0 | -79.6 | 173.5 | 167.4 | 0 | 0 | 108.7 | |||||
| 2 | L | 43.1 | Very low | 55.8 | Low | 182 Ų | 182 | 137.5 Ų | 137.5 | 95% | 0.953 | 73% | 0.726 | S | S | * | * | trans | -124.3 | 75 | 166.1 | -84.5 | 163 | 0 | 0 | 0 | 106 | G4 | L2-G4 PolarHBondContact O-N 3.09Š| ||
| 3 | I | 45.4 | Very low | 57.1 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 80% | 0.795 | 70% | 0.702 | S | S | * | * | trans | -78 | 85.9 | 171.5 | -57.3 | 174.7 | 0 | 0 | 0 | 105.5 | A5 | I3-A5 PolarHBondContact O-N 3.03Å; I3-A5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | G | 46.7 | Very low | 58.3 | Low | 68 Ų | 68 | 125.2 Ų | 125.2 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -64.2 | 105 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L2 P6 | L2-G4 PolarHBondContact O-N 3.09Å; G4-P6 WeakPolarHBondContact O-CD 3.14Å; G4-P6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | A | 53.2 | Low | 58.7 | Low | 51 Ų | 51 | 124.3 Ų | 124.3 | 42% | 0.421 | 68% | 0.682 | S | S | . | * | trans | -63.8 | 109.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I3 S7 N8 | I3-A5 PolarHBondContact O-N 3.03Å; I3-A5 VanDerWaalsContact O-N 3.09Å; A5-S7 PolarHBondContact O-N 3.06Å; A5-N8 PolarHBondContact O-N 3.2Å | ||
| 6 | P | 55.9 | Low | 59.2 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -14.9 | 179.5 | 25.8 | -34 | 0 | 0 | 0 | 113.2 | G4 N8 M9 | G4-P6 WeakPolarHBondContact O-CD 3.14Å; G4-P6 VanDerWaalsContact O-N 3.16Å; P6-N8 VanDerWaalsContact C-N 3.26Å; P6-N8 PolarHBondContact O-N 3.38Å; P6-M9 PolarHBondContact O-N 3.35Å |
| 7 | S | 58.7 | Low | 59.7 | Low | 82 Ų | 82 | 121.2 Ų | 121.2 | 57% | 0.573 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -57.5 | -36.7 | 174.3 | -32.6 | 0 | 0 | 0 | 0 | 112.5 | A5 M9 L11 | A5-S7 PolarHBondContact O-N 3.06Å; S7-M9 PolarHBondContact O-N 3.09Å; S7-L11 PolarHBondContact O-N 3.17Å |
| 8 | N | 59.1 | Low | 59.9 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.6 | -32.3 | -176.4 | -83.6 | -1.3 | 0 | 0 | 0 | 112.8 | A5 P6 R12 | A5-N8 PolarHBondContact O-N 3.2Å; P6-N8 VanDerWaalsContact C-N 3.26Å; P6-N8 PolarHBondContact O-N 3.38Å; N8-R12 VanDerWaalsContact O-CB 3.31Å; N8-R12 WeakPolarHBondContact O-CB 3.31Å; N8-R12 PolarHBondContact O-N 2.94Å; N8-R12 VanDerWaalsContact O-N 3.1Å |
| 9 | M | 61.7 | Low | 59.3 | Low | 161 Ų | 161 | 123.4 Ų | 123.4 | 79% | 0.793 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.3 | -42 | 178.8 | -76.5 | -170.8 | 170.1 | 0 | 0 | 112.1 | P6 S7 R12 G13 | P6-M9 PolarHBondContact O-N 3.35Å; S7-M9 PolarHBondContact O-N 3.09Å; M9-R12 PolarHBondContact O-N 3.48Å; M9-G13 PolarHBondContact O-N 3.46Å; M9-G13 VanDerWaalsContact O-N 3.09Å |
| 10 | R | 70.6 | Confident | 59.4 | Low | 216 Ų | 216 | 126.2 Ų | 126.2 | 82% | 0.815 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.4 | -40.7 | 177.5 | -71.5 | -174.8 | 178.6 | 172.6 | 0 | 111.9 | A14 | R10-A14 PolarHBondContact O-N 3.1Å |
| 11 | L | 70.4 | Confident | 59.6 | Low | 114 Ų | 114 | 129 Ų | 129 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.4 | -43.4 | 178 | -151 | 93.4 | 0 | 0 | 0 | 111.4 | S7 A14 L15 | S7-L11 PolarHBondContact O-N 3.17Å; L11-A14 PolarHBondContact O-N 3.46Å; L11-L15 HydrophobicContact CD2-CD1 4.3Å; L11-L15 HydrophobicContact CG-CD1 4.47Å; L11-L15 PolarHBondContact O-N 3.17Å |
| 12 | R | 71 | Confident | 60.5 | Low | 175 Ų | 175 | 122.5 Ų | 122.5 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.8 | -43.4 | 179.2 | -169.1 | 173.9 | -179.5 | 170.5 | 5.2 | 112.2 | N8 M9 A14 L15 E16 | N8-R12 VanDerWaalsContact O-CB 3.31Å; N8-R12 WeakPolarHBondContact O-CB 3.31Å; N8-R12 PolarHBondContact O-N 2.94Å; N8-R12 VanDerWaalsContact O-N 3.1Å; M9-R12 PolarHBondContact O-N 3.48Å; R12-A14 VanDerWaalsContact C-N 3.35Å; R12-A14 PolarHBondContact O-N 2.89Å; R12-L15 PolarHBondContact O-N 3.33Å; R12-E16 IonicContact NE-OE1 3.69Å; R12-E16 PolarHBondContact O-N 3.34Å |
| 13 | G | 73 | Confident | 60.8 | Low | 41 Ų | 41 | 117.2 Ų | 117.2 | 42% | 0.423 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.9 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M9 L17 | M9-G13 PolarHBondContact O-N 3.46Å; M9-G13 VanDerWaalsContact O-N 3.09Å; G13-L17 PolarHBondContact O-N 3.09Å; G13-L17 VanDerWaalsContact O-N 3.14Å |
| 14 | A | 73.4 | Confident | 60.9 | Low | 62 Ų | 62 | 115.4 Ų | 115.4 | 51% | 0.512 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.3 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R10 L11 R12 L17 L18 | R10-A14 PolarHBondContact O-N 3.1Å; L11-A14 PolarHBondContact O-N 3.46Å; R12-A14 VanDerWaalsContact C-N 3.35Å; R12-A14 PolarHBondContact O-N 2.89Å; A14-L17 PolarHBondContact O-N 3.48Å; A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 PolarHBondContact O-N 2.98Å |
| 15 | L | 65.4 | Low | 60.9 | Low | 112 Ų | 112 | 113.9 Ų | 113.9 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.4 | -44.1 | 176.6 | -107.7 | 135.2 | 0 | 0 | 0 | 112.5 | L11 R12 L17 L18 W19 | L11-L15 HydrophobicContact CD2-CD1 4.3Å; L11-L15 HydrophobicContact CG-CD1 4.47Å; L11-L15 PolarHBondContact O-N 3.17Å; R12-L15 PolarHBondContact O-N 3.33Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.31Å; L15-L18 PolarHBondContact O-N 3.46Å; L15-W19 VanDerWaalsContact O-CB 3.3Å; L15-W19 WeakPolarHBondContact O-CB 3.34Å; L15-W19 PolarHBondContact O-N 3.04Å |
| 16 | E | 65.4 | Low | 60.7 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.1 | -38.5 | 177.8 | -77.3 | -173.8 | -167.3 | 0 | 0 | 112.4 | R12 R20 | R12-E16 IonicContact NE-OE1 3.69Å; R12-E16 PolarHBondContact O-N 3.34Å; E16-R20 WeakPolarHBondContact O-CB 3.46Å; E16-R20 WeakPolarHBondContact O-CG 3.5Å; E16-R20 PolarHBondContact O-N 3.05Å |
| 17 | L | 68.3 | Low | 60.2 | Low | 103 Ų | 103 | 116.8 Ų | 116.8 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -40.8 | 177.4 | -150.8 | 96.7 | 0 | 0 | 0 | 111.6 | G13 A14 L15 R20 R21 | G13-L17 PolarHBondContact O-N 3.09Å; G13-L17 VanDerWaalsContact O-N 3.14Å; A14-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.31Å; L17-R20 PolarHBondContact O-N 3.39Å; L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3.14Å; L17-R21 VanDerWaalsContact O-N 3.09Å |
| 18 | L | 63.6 | Low | 59.7 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.9 | -42.7 | 178.7 | -139.2 | 143.8 | 0 | 0 | 0 | 110.6 | A14 L15 R21 L22 | A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 PolarHBondContact O-N 2.98Å; L15-L18 PolarHBondContact O-N 3.46Å; L18-R21 PolarHBondContact O-N 3.36Å; L18-L22 HydrophobicContact CD2-CD1 4.22Å; L18-L22 PolarHBondContact O-N 2.98Å |
| 19 | W | 47.6 | Very low | 59.1 | Low | 171 Ų | 171 | 118.5 Ų | 118.5 | 65% | 0.648 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.1 | -45.2 | 174.5 | -176.3 | -107.6 | 0 | 0 | 0 | 112.7 | L15 R21 L22 L23 | L15-W19 VanDerWaalsContact O-CB 3.3Å; L15-W19 WeakPolarHBondContact O-CB 3.34Å; L15-W19 PolarHBondContact O-N 3.04Å; W19-R21 VanDerWaalsContact C-N 3.35Å; W19-R21 PolarHBondContact O-N 3.49Å; W19-L22 PolarHBondContact O-N 3.44Å; W19-L23 HydrophobicContact CG-CD1 4.36Å; W19-L23 VanDerWaalsContact NE1-CD1 3.25Å; W19-L23 WeakPolarHBondContact O-CB 3.36Å; W19-L23 PolarHBondContact O-N 2.97Å |
| 20 | R | 61.8 | Low | 58.2 | Low | 179 Ų | 179 | 115 Ų | 115 | 68% | 0.675 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | 175.9 | -77.5 | 176.2 | -179.3 | -117.6 | 2.9 | 112.3 | E16 L17 L23 H24 | E16-R20 WeakPolarHBondContact O-CB 3.46Å; E16-R20 WeakPolarHBondContact O-CG 3.5Å; E16-R20 PolarHBondContact O-N 3.05Å; L17-R20 PolarHBondContact O-N 3.39Å; R20-L23 PolarHBondContact O-N 3.45Å; R20-H24 WeakPolarHBondContact O-CB 3.44Å; R20-H24 PolarHBondContact O-N 2.9Å |
| 21 | R | 64.9 | Low | 57 | Low | 184 Ų | 184 | 109.8 Ų | 109.8 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 175.9 | -75.1 | -178.8 | 179.6 | -166.6 | 0.2 | 111.8 | L17 L18 W19 H24 G25 | L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3.14Å; L17-R21 VanDerWaalsContact O-N 3.09Å; L18-R21 PolarHBondContact O-N 3.36Å; W19-R21 VanDerWaalsContact C-N 3.35Å; W19-R21 PolarHBondContact O-N 3.49Å; R21-H24 PolarHBondContact O-N 2.93Å; R21-G25 PolarHBondContact O-N 3.25Å |
| 22 | L | 52.1 | Low | 55.8 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 176.6 | -122.2 | 143.9 | 0 | 0 | 0 | 111.6 | L18 W19 H24 G25 L26 | L18-L22 HydrophobicContact CD2-CD1 4.22Å; L18-L22 PolarHBondContact O-N 2.98Å; W19-L22 PolarHBondContact O-N 3.44Å; L22-H24 VanDerWaalsContact C-N 3.35Å; L22-H24 PolarHBondContact O-N 3.33Å; L22-G25 PolarHBondContact O-N 3.32Å; L22-L26 HydrophobicContact CD2-CD1 4.11Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.42Å; L22-L26 PolarHBondContact O-N 3.36Å |
| 23 | L | 48.1 | Very low | 54.6 | Low | 71 Ų | 71 | 104.4 Ų | 104.4 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.8 | -84.7 | 167.1 | 0 | 0 | 0 | 112.2 | W19 R20 L26 M27 | W19-L23 HydrophobicContact CG-CD1 4.36Å; W19-L23 VanDerWaalsContact NE1-CD1 3.25Å; W19-L23 WeakPolarHBondContact O-CB 3.36Å; W19-L23 PolarHBondContact O-N 2.97Å; R20-L23 PolarHBondContact O-N 3.45Å; L23-L26 PolarHBondContact O-N 2.91Å; L23-M27 WeakPolarHBondContact O-CG 3.31Å; L23-M27 PolarHBondContact O-N 2.98Å |
| 24 | H | 48.1 | Very low | 53.3 | Low | 116 Ų | 116 | 108.1 Ų | 108.1 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 179.3 | -160.1 | -101.5 | 0 | 0 | 0 | 111.7 | R20 R21 L22 M27 Q28 | R20-H24 WeakPolarHBondContact O-CB 3.44Å; R20-H24 PolarHBondContact O-N 2.9Å; R21-H24 PolarHBondContact O-N 2.93Å; L22-H24 VanDerWaalsContact C-N 3.35Å; L22-H24 PolarHBondContact O-N 3.33Å; H24-M27 PolarHBondContact O-N 3.42Å; H24-Q28 PolarHBondContact O-N 2.9Å |
| 25 | G | 47.4 | Very low | 51.7 | Low | 37 Ų | 37 | 110.9 Ų | 110.9 | 38% | 0.381 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R21 L22 Q28 L29 | R21-G25 PolarHBondContact O-N 3.25Å; L22-G25 PolarHBondContact O-N 3.32Å; G25-Q28 PolarHBondContact O-N 3.13Å; G25-L29 VanDerWaalsContact O-CB 3.31Å; G25-L29 WeakPolarHBondContact O-CB 3.45Å; G25-L29 PolarHBondContact O-N 2.89Å |
| 26 | L | 49 | Very low | 50.7 | Low | 76 Ų | 76 | 110.9 Ų | 110.9 | 40% | 0.398 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.8 | -79.2 | 161.4 | 0 | 0 | 0 | 112.5 | L22 L23 L29 R30 | L22-L26 HydrophobicContact CD2-CD1 4.11Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.42Å; L22-L26 PolarHBondContact O-N 3.36Å; L23-L26 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.33Å; L26-R30 WeakPolarHBondContact O-CB 3.27Å; L26-R30 WeakPolarHBondContact O-CG 3.39Å; L26-R30 PolarHBondContact O-N 3.2Å |
| 27 | M | 45.7 | Very low | 49.8 | Very low | 133 Ų | 133 | 108.2 Ų | 108.2 | 66% | 0.655 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 176.7 | -73.6 | -146.6 | -160 | 0 | 0 | 112.1 | L23 H24 R30 L31 | L23-M27 WeakPolarHBondContact O-CG 3.31Å; L23-M27 PolarHBondContact O-N 2.98Å; H24-M27 PolarHBondContact O-N 3.42Å; M27-R30 PolarHBondContact O-N 3.26Å; M27-L31 PolarHBondContact O-N 2.99Å |
| 28 | Q | 47.5 | Very low | 48.6 | Very low | 116 Ų | 116 | 106.2 Ų | 106.2 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 176.8 | -73.8 | -170.9 | -36.7 | 0 | 0 | 111.6 | H24 G25 R30 L31 V32 | H24-Q28 PolarHBondContact O-N 2.9Å; G25-Q28 PolarHBondContact O-N 3.13Å; Q28-R30 VanDerWaalsContact C-N 3.33Å; Q28-R30 PolarHBondContact O-N 3.04Å; Q28-L31 PolarHBondContact O-N 2.89Å; Q28-V32 WeakPolarHBondContact O-CG2 3.14Å; Q28-V32 PolarHBondContact O-N 2.92Å |
| 29 | L | 45.8 | Very low | 47.6 | Very low | 121 Ų | 121 | 104.7 Ų | 104.7 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.8 | -45.3 | 175 | -167.4 | 82 | 0 | 0 | 0 | 111 | G25 L26 L31 V32 L33 | G25-L29 VanDerWaalsContact O-CB 3.31Å; G25-L29 WeakPolarHBondContact O-CB 3.45Å; G25-L29 PolarHBondContact O-N 2.89Å; L26-L29 PolarHBondContact O-N 3.33Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 2.92Å; L29-V32 PolarHBondContact O-N 2.93Å; L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 PolarHBondContact O-N 3.02Å |
| 30 | R | 44.2 | Very low | 47.4 | Very low | 88 Ų | 88 | 101.7 Ų | 101.7 | 33% | 0.332 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 175.3 | -82.5 | -176 | 173 | 165.7 | 5.6 | 112.7 | L26 M27 Q28 K34 D126 | L26-R30 WeakPolarHBondContact O-CB 3.27Å; L26-R30 WeakPolarHBondContact O-CG 3.39Å; L26-R30 PolarHBondContact O-N 3.2Å; M27-R30 PolarHBondContact O-N 3.26Å; Q28-R30 VanDerWaalsContact C-N 3.33Å; Q28-R30 PolarHBondContact O-N 3.04Å; R30-K34 WeakPolarHBondContact O-CB 3.37Å; R30-K34 VanDerWaalsContact O-CG 3.27Å; R30-K34 WeakPolarHBondContact O-CG 3.38Å; R30-K34 PolarHBondContact O-N 3.3Å; R30-D126 IonicContact CZ-OD2 3.9Å; R30-D126 IonicContact NE-OD2 3.96Å; R30-D126 IonicContact NH2-OD2 2.92Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å |
| 31 | L | 45 | Very low | 46.5 | Very low | 106 Ų | 106 | 94 Ų | 94 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | 178.7 | -166.3 | 88 | 0 | 0 | 0 | 111.3 | M27 Q28 L29 L33 K34 M35 | M27-L31 PolarHBondContact O-N 2.99Å; Q28-L31 PolarHBondContact O-N 2.89Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 2.92Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 2.8Å; L31-K34 PolarHBondContact O-N 3.27Å; L31-M35 HydrophobicContact CD2-CE 4.19Å; L31-M35 HydrophobicContact CG-CE 4.47Å; L31-M35 WeakPolarHBondContact O-CG 3.4Å; L31-M35 PolarHBondContact O-N 3.26Å |
| 32 | V | 44.2 | Very low | 45.5 | Very low | 92 Ų | 92 | 89 Ų | 89 | 56% | 0.558 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | Q28 L29 M35 H36 | Q28-V32 WeakPolarHBondContact O-CG2 3.14Å; Q28-V32 PolarHBondContact O-N 2.92Å; L29-V32 PolarHBondContact O-N 2.93Å; V32-M35 PolarHBondContact O-N 3.37Å; V32-H36 WeakPolarHBondContact O-CB 3.39Å; V32-H36 PolarHBondContact O-N 3.31Å |
| 33 | L | 46.5 | Very low | 45.2 | Very low | 83 Ų | 83 | 90.8 Ų | 90.8 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.4 | -160.9 | 75.9 | 0 | 0 | 0 | 111.1 | L29 L31 M35 H36 I37 | L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 PolarHBondContact O-N 3.02Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 2.8Å; L33-M35 PolarHBondContact O-N 2.97Å; L33-H36 PolarHBondContact O-N 3.47Å; L33-I37 HydrophobicContact CD2-CD1 4.42Å; L33-I37 HydrophobicContact CG-CD1 4.03Å; L33-I37 WeakPolarHBondContact O-CG1 3.49Å; L33-I37 PolarHBondContact O-N 2.91Å |
| 34 | K | 44.6 | Very low | 45 | Very low | 119 Ų | 119 | 89.2 Ų | 89.2 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 175 | -78.5 | 178.3 | 178.8 | -175.1 | 0 | 112 | R30 L31 H36 I37 C38 | R30-K34 WeakPolarHBondContact O-CB 3.37Å; R30-K34 VanDerWaalsContact O-CG 3.27Å; R30-K34 WeakPolarHBondContact O-CG 3.38Å; R30-K34 PolarHBondContact O-N 3.3Å; L31-K34 PolarHBondContact O-N 3.27Å; K34-H36 VanDerWaalsContact C-N 3.35Å; K34-H36 PolarHBondContact O-N 3.44Å; K34-I37 PolarHBondContact O-N 3.38Å; K34-C38 WeakPolarHBondContact O-CB 3.2Å; K34-C38 PolarHBondContact O-N 3.48Å; K34-C38 PolarHBondContact O-SG 2.9Å |
| 35 | M | 40.5 | Very low | 44.8 | Very low | 121 Ų | 121 | 84 Ų | 84 | 60% | 0.596 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 177.7 | -73.6 | -156.6 | -74.8 | 0 | 0 | 112.1 | L31 V32 L33 S39 | L31-M35 HydrophobicContact CD2-CE 4.19Å; L31-M35 HydrophobicContact CG-CE 4.47Å; L31-M35 WeakPolarHBondContact O-CG 3.4Å; L31-M35 PolarHBondContact O-N 3.26Å; V32-M35 PolarHBondContact O-N 3.37Å; L33-M35 PolarHBondContact O-N 2.97Å; M35-S39 WeakPolarHBondContact O-CB 3.31Å; M35-S39 PolarHBondContact O-N 2.92Å |
| 36 | H | 44.7 | Very low | 44.7 | Very low | 112 Ų | 112 | 88.8 Ų | 88.8 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 176.9 | -168.8 | 76.3 | 0 | 0 | 0 | 111.4 | V32 L33 K34 S39 Q40 | V32-H36 WeakPolarHBondContact O-CB 3.39Å; V32-H36 PolarHBondContact O-N 3.31Å; L33-H36 PolarHBondContact O-N 3.47Å; K34-H36 VanDerWaalsContact C-N 3.35Å; K34-H36 PolarHBondContact O-N 3.44Å; H36-S39 PolarHBondContact O-N 3.34Å; H36-Q40 WeakPolarHBondContact O-CG 3.14Å; H36-Q40 PolarHBondContact O-N 3.42Å |
| 37 | I | 45.3 | Very low | 44.5 | Very low | 36 Ų | 36 | 93.8 Ų | 93.8 | 19% | 0.185 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 179.8 | -54.5 | 160 | 0 | 0 | 0 | 110.7 | L33 K34 S39 Q40 L41 L115 | L33-I37 HydrophobicContact CD2-CD1 4.42Å; L33-I37 HydrophobicContact CG-CD1 4.03Å; L33-I37 WeakPolarHBondContact O-CG1 3.49Å; L33-I37 PolarHBondContact O-N 2.91Å; K34-I37 PolarHBondContact O-N 3.38Å; I37-S39 VanDerWaalsContact C-N 3.3Å; I37-S39 PolarHBondContact O-N 3.06Å; I37-Q40 PolarHBondContact O-N 3.18Å; I37-L41 HydrophobicContact CG2-CD1 4.1Å; I37-L41 WeakPolarHBondContact O-CB 3.31Å; I37-L41 PolarHBondContact O-N 3.18Å; I37-L115 HydrophobicContact CB-CD2 3.94Å; I37-L115 HydrophobicContact CB-CG 4.48Å; I37-L115 HydrophobicContact CD1-CD2 4.19Å; I37-L115 HydrophobicContact CG2-CD1 3.87Å; I37-L115 HydrophobicContact CG2-CD2 3.19Å; I37-L115 HydrophobicContact CG2-CG 3.37Å |
| 38 | C | 43.3 | Very low | 44.4 | Very low | 61 Ų | 61 | 92.2 Ų | 92.2 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 174.4 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | K34 L41 N42 | K34-C38 WeakPolarHBondContact O-CB 3.2Å; K34-C38 PolarHBondContact O-N 3.48Å; K34-C38 PolarHBondContact O-SG 2.9Å; C38-L41 WeakPolarHBondContact O-CB 3.39Å; C38-L41 PolarHBondContact O-N 3.18Å; C38-N42 WeakPolarHBondContact O-CB 3.46Å; C38-N42 PolarHBondContact O-N 2.86Å |
| 39 | S | 43.3 | Very low | 44.2 | Very low | 82 Ų | 82 | 87.4 Ų | 87.4 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.9 | -46.9 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | M35 H36 I37 L41 N42 H43 | M35-S39 WeakPolarHBondContact O-CB 3.31Å; M35-S39 PolarHBondContact O-N 2.92Å; H36-S39 PolarHBondContact O-N 3.34Å; I37-S39 VanDerWaalsContact C-N 3.3Å; I37-S39 PolarHBondContact O-N 3.06Å; S39-L41 VanDerWaalsContact C-N 3.28Å; S39-L41 PolarHBondContact O-N 2.88Å; S39-N42 PolarHBondContact O-N 2.78Å; S39-H43 PolarHBondContact O-N 3.31Å; S39-H43 VanDerWaalsContact O-N 3.1Å |
| 40 | Q | 43.3 | Very low | 44.2 | Very low | 108 Ų | 108 | 89.6 Ų | 89.6 | 51% | 0.505 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 174.8 | -70.5 | -68.8 | -5.3 | 0 | 0 | 111.5 | H36 I37 H43 A44 | H36-Q40 WeakPolarHBondContact O-CG 3.14Å; H36-Q40 PolarHBondContact O-N 3.42Å; I37-Q40 PolarHBondContact O-N 3.18Å; Q40-H43 PolarHBondContact O-N 3.27Å; Q40-A44 PolarHBondContact O-N 3.15Å |
| 41 | L | 43.7 | Very low | 44.1 | Very low | 16 Ų | 16 | 90.8 Ų | 90.8 | 8% | 0.084 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.1 | -52.3 | 177 | -125.5 | 88.9 | 0 | 0 | 0 | 111.6 | I37 C38 S39 H43 A44 I45 H111 F112 L115 | I37-L41 HydrophobicContact CG2-CD1 4.1Å; I37-L41 WeakPolarHBondContact O-CB 3.31Å; I37-L41 PolarHBondContact O-N 3.18Å; C38-L41 WeakPolarHBondContact O-CB 3.39Å; C38-L41 PolarHBondContact O-N 3.18Å; S39-L41 VanDerWaalsContact C-N 3.28Å; S39-L41 PolarHBondContact O-N 2.88Å; L41-H43 PolarHBondContact O-N 2.69Å; L41-A44 PolarHBondContact O-N 3.27Å; L41-I45 HydrophobicContact CB-CD1 4.33Å; L41-I45 HydrophobicContact CD2-CD1 3.98Å; L41-I45 HydrophobicContact CG-CD1 4.39Å; L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 WeakPolarHBondContact O-CD1 3.36Å; L41-I45 WeakPolarHBondContact O-CG1 3.31Å; L41-I45 PolarHBondContact O-N 3.5Å; L41-H111 HydrophobicContact CD2-CB 3.73Å; L41-H111 WeakPolarHBondContact CD2-O 3.31Å; L41-H111 HydrophobicContact CG-CB 3.84Å; L41-F112 HydrophobicContact CD2-CB 4.26Å; L41-F112 HydrophobicContact CD2-CD1 3.72Å; L41-F112 HydrophobicContact CD2-CD2 3.88Å; L41-F112 HydrophobicContact CD2-CE1 3.97Å; L41-F112 HydrophobicContact CD2-CE2 4.11Å; L41-F112 HydrophobicContact CD2-CG 3.66Å; L41-F112 HydrophobicContact CD2-CZ 4.15Å; L41-L115 HydrophobicContact CB-CD1 4.38Å; L41-L115 HydrophobicContact CD1-CB 3.95Å; L41-L115 HydrophobicContact CD1-CD1 3.26Å; L41-L115 HydrophobicContact CD1-CG 3.36Å; L41-L115 HydrophobicContact CD2-CD1 3.56Å; L41-L115 HydrophobicContact CD2-CG 4.41Å; L41-L115 HydrophobicContact CG-CD1 3.86Å; L41-L115 HydrophobicContact CG-CG 4.43Å |
| 42 | N | 43.3 | Very low | 44 | Very low | 81 Ų | 81 | 91.6 Ų | 91.6 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.1 | -37.7 | -179.1 | -165.8 | 10 | 0 | 0 | 0 | 110.8 | C38 S39 K46 | C38-N42 WeakPolarHBondContact O-CB 3.46Å; C38-N42 PolarHBondContact O-N 2.86Å; S39-N42 PolarHBondContact O-N 2.78Å; N42-K46 WeakPolarHBondContact O-CB 3.3Å; N42-K46 VanDerWaalsContact O-CG 3.26Å; N42-K46 WeakPolarHBondContact O-CG 3.48Å; N42-K46 PolarHBondContact O-N 3.2Å; N42-K46 WeakPolarHBondContact OD1-CE 3.26Å |
| 43 | H | 45.6 | Very low | 44 | Very low | 131 Ų | 131 | 91.6 Ų | 91.6 | 61% | 0.606 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 174.2 | -166.6 | -90.9 | 0 | 0 | 0 | 112.8 | S39 Q40 L41 R47 | S39-H43 PolarHBondContact O-N 3.31Å; S39-H43 VanDerWaalsContact O-N 3.1Å; Q40-H43 PolarHBondContact O-N 3.27Å; L41-H43 PolarHBondContact O-N 2.69Å; H43-R47 WeakPolarHBondContact O-CB 3.39Å; H43-R47 PolarHBondContact O-N 3.37Å; H43-R47 VanDerWaalsContact O-N 3.11Å |
| 44 | A | 43.4 | Very low | 43.9 | Very low | 38 Ų | 38 | 97.4 Ų | 97.4 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q40 L41 R48 H111 | Q40-A44 PolarHBondContact O-N 3.15Å; L41-A44 PolarHBondContact O-N 3.27Å; A44-R48 WeakPolarHBondContact O-CB 3.13Å; A44-R48 PolarHBondContact O-N 2.94Å; A44-R48 VanDerWaalsContact O-N 3.1Å; A44-H111 PolarHBondContact O-NE2 3.15Å |
| 45 | I | 44.9 | Very low | 43.9 | Very low | 8 Ų | 8 | 94.3 Ų | 94.3 | 4% | 0.041 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.9 | -53.5 | 175.7 | -63.5 | 162 | 0 | 0 | 0 | 110.4 | L41 R47 R48 A49 V108 H111 F112 | L41-I45 HydrophobicContact CB-CD1 4.33Å; L41-I45 HydrophobicContact CD2-CD1 3.98Å; L41-I45 HydrophobicContact CG-CD1 4.39Å; L41-I45 WeakPolarHBondContact O-CB 3.34Å; L41-I45 WeakPolarHBondContact O-CD1 3.36Å; L41-I45 WeakPolarHBondContact O-CG1 3.31Å; L41-I45 PolarHBondContact O-N 3.5Å; I45-R47 PolarHBondContact O-N 3.3Å; I45-R48 PolarHBondContact O-N 3.41Å; I45-R48 VanDerWaalsContact O-N 3.1Å; I45-A49 WeakPolarHBondContact O-CB 2.89Å; I45-A49 PolarHBondContact O-N 2.86Å; I45-V108 HydrophobicContact CB-CG2 4.49Å; I45-V108 HydrophobicContact CD1-CB 3.94Å; I45-V108 HydrophobicContact CD1-CG1 3.65Å; I45-V108 HydrophobicContact CD1-CG2 4.35Å; I45-V108 HydrophobicContact CG1-CB 4.41Å; I45-V108 HydrophobicContact CG2-CB 3.84Å; I45-V108 HydrophobicContact CG2-CG2 3.25Å; I45-H111 HydrophobicContact CD1-CB 4.21Å; I45-H111 HydrophobicContact CG1-CB 3.72Å; I45-H111 WeakPolarHBondContact CG1-CD2 3.35Å; I45-F112 HydrophobicContact CD1-CE2 4.49Å |
| 46 | K | 44.4 | Very low | 44.2 | Very low | 137 Ų | 137 | 92.1 Ų | 92.1 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.6 | -40.6 | 179 | -76.7 | 175.7 | 178.5 | -178.6 | 0 | 111.5 | N42 F50 | N42-K46 WeakPolarHBondContact O-CB 3.3Å; N42-K46 VanDerWaalsContact O-CG 3.26Å; N42-K46 WeakPolarHBondContact O-CG 3.48Å; N42-K46 PolarHBondContact O-N 3.2Å; N42-K46 WeakPolarHBondContact OD1-CE 3.26Å; K46-F50 WeakPolarHBondContact O-CB 3.25Å; K46-F50 PolarHBondContact O-N 2.94Å |
| 47 | R | 44.8 | Very low | 44.1 | Very low | 180 Ų | 180 | 95.8 Ų | 95.8 | 68% | 0.679 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 178.8 | -174.3 | 178.1 | 179.8 | -170.6 | 0.5 | 112.7 | H43 I45 L51 | H43-R47 WeakPolarHBondContact O-CB 3.39Å; H43-R47 PolarHBondContact O-N 3.37Å; H43-R47 VanDerWaalsContact O-N 3.11Å; I45-R47 PolarHBondContact O-N 3.3Å; R47-L51 WeakPolarHBondContact O-CG 3.48Å; R47-L51 PolarHBondContact O-N 2.73Å |
| 48 | R | 43.9 | Very low | 43.9 | Very low | 100 Ų | 100 | 101.6 Ų | 101.6 | 38% | 0.377 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -88.3 | -30.5 | -170.8 | 179.8 | -161.1 | -171.6 | 170.4 | 6.9 | 111.7 | A44 I45 F50 L51 K52 E107 | A44-R48 WeakPolarHBondContact O-CB 3.13Å; A44-R48 PolarHBondContact O-N 2.94Å; A44-R48 VanDerWaalsContact O-N 3.1Å; I45-R48 PolarHBondContact O-N 3.41Å; I45-R48 VanDerWaalsContact O-N 3.1Å; R48-F50 VanDerWaalsContact C-N 3.31Å; R48-F50 PolarHBondContact O-N 3.38Å; R48-L51 PolarHBondContact O-N 2.81Å; R48-K52 PolarHBondContact O-N 2.91Å; R48-E107 VanDerWaalsContact C-CD 3.46Å; R48-E107 WeakPolarHBondContact CA-OE1 3.38Å; R48-E107 WeakPolarHBondContact CB-OE1 3.26Å; R48-E107 WeakPolarHBondContact CD-OE1 3.28Å; R48-E107 HydrophobicContact CG-CG 4.23Å; R48-E107 WeakPolarHBondContact CG-OE1 3.31Å; R48-E107 WeakPolarHBondContact CG-OE2 3.46Å |
| 49 | A | 43.9 | Very low | 43.8 | Very low | 15 Ų | 15 | 100.9 Ų | 100.9 | 12% | 0.124 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I45 L51 K52 T53 D104 E107 | I45-A49 WeakPolarHBondContact O-CB 2.89Å; I45-A49 PolarHBondContact O-N 2.86Å; A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 3.27Å; A49-K52 PolarHBondContact O-N 3.17Å; A49-T53 WeakPolarHBondContact O-CG2 3.35Å; A49-T53 PolarHBondContact O-N 3.04Å; A49-D104 HydrophobicContact CB-CB 3.98Å; A49-D104 WeakPolarHBondContact CB-OD1 3.3Å; A49-E107 PolarHBondContact N-OE1 3.4Å |
| 50 | F | 44.9 | Very low | 43.6 | Very low | 167 Ų | 167 | 101.1 Ų | 101.1 | 73% | 0.732 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.1 | -34.5 | 175.1 | -175.5 | -96 | 0 | 0 | 0 | 113.4 | K46 R48 T53 | K46-F50 WeakPolarHBondContact O-CB 3.25Å; K46-F50 PolarHBondContact O-N 2.94Å; R48-F50 VanDerWaalsContact C-N 3.31Å; R48-F50 PolarHBondContact O-N 3.38Å; F50-T53 PolarHBondContact O-OG1 2.65Å |
| 51 | L | 41.9 | Very low | 43.3 | Very low | 114 Ų | 114 | 102.6 Ų | 102.6 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.7 | -29.2 | 179.5 | -71 | 169.2 | 0 | 0 | 0 | 113.3 | R47 R48 A49 | R47-L51 WeakPolarHBondContact O-CG 3.48Å; R47-L51 PolarHBondContact O-N 2.73Å; R48-L51 PolarHBondContact O-N 2.81Å; A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 3.27Å |
| 52 | K | 43.2 | Very low | 43.2 | Very low | 123 Ų | 123 | 103.8 Ų | 103.8 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -96.2 | -11.9 | -170.3 | -81.7 | -160.2 | 177 | -178.3 | 0 | 115.9 | R48 A49 K54 G55 | R48-K52 PolarHBondContact O-N 2.91Å; A49-K52 PolarHBondContact O-N 3.17Å; K52-K54 PolarHBondContact O-N 2.75Å; K52-G55 PolarHBondContact O-N 3.02Å |
| 53 | T | 44.8 | Very low | 43.1 | Very low | 92 Ų | 92 | 100.9 Ų | 100.9 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -1.6 | 171.5 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | A49 F50 | A49-T53 WeakPolarHBondContact O-CG2 3.35Å; A49-T53 PolarHBondContact O-N 3.04Å; F50-T53 PolarHBondContact O-OG1 2.65Å |
| 54 | K | 45 | Very low | 42.8 | Very low | 205 Ų | 205 | 97.7 Ų | 97.7 | 89% | 0.891 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.7 | 171.1 | -70.7 | -167.6 | 176.5 | -175.4 | 0 | 116 | K52 | K52-K54 PolarHBondContact O-N 2.75Š|
| 55 | G | 43.5 | Very low | 42.9 | Very low | 53 Ų | 53 | 100.1 Ų | 100.1 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -144.2 | 102.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K52 | K52-G55 PolarHBondContact O-N 3.02Š|
| 56 | G | 48.2 | Very low | 42.9 | Very low | 76 Ų | 76 | 101.7 Ų | 101.7 | 78% | 0.784 | 53% | 0.533 | S | S | * | . | trans | -101.7 | 12.6 | -149.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 57 | K | 42.1 | Very low | 42.9 | Very low | 189 Ų | 189 | 95.7 Ų | 95.7 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -139.1 | -32 | -178.7 | -71.3 | -170.3 | 178.5 | 179.5 | 0 | 119 | A59 | K57-A59 VanDerWaalsContact C-N 3.35Å; K57-A59 PolarHBondContact O-N 3.22Å |
| 58 | N | 41.3 | Very low | 42.9 | Very low | 158 Ų | 158 | 91 Ų | 91 | 85% | 0.845 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.3 | -178.7 | -67.6 | -4.1 | 0 | 0 | 0 | 114.3 | ||
| 59 | A | 41 | Very low | 42.9 | Very low | 45 Ų | 45 | 90.6 Ų | 90.6 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -78.3 | -21.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K57 C63 A103 | K57-A59 VanDerWaalsContact C-N 3.35Å; K57-A59 PolarHBondContact O-N 3.22Å; A59-C63 VanDerWaalsContact O-CB 3.23Å; A59-C63 WeakPolarHBondContact O-CB 3.36Å; A59-C63 PolarHBondContact O-N 2.91Å; A59-C63 PolarHBondContact O-SG 2.87Å; A59-A103 HydrophobicContact CB-CB 3.88Å |
| 60 | L | 39.2 | Very low | 43 | Very low | 87 Ų | 87 | 90.3 Ų | 90.3 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -47.7 | -173.7 | -160 | 90 | 0 | 0 | 0 | 112.2 | L64 F102 | L60-L64 PolarHBondContact O-N 3.45Å; L60-F102 HydrophobicContact CD1-CB 3.56Å; L60-F102 HydrophobicContact CD1-CD1 3.39Å; L60-F102 HydrophobicContact CD1-CE1 4.47Å; L60-F102 HydrophobicContact CD1-CG 3.93Å; L60-F102 HydrophobicContact CG-CD1 3.55Å; L60-F102 HydrophobicContact CG-CE1 4.22Å; L60-F102 HydrophobicContact CG-CG 4.49Å |
| 61 | H | 37.1 | Very low | 42.9 | Very low | 139 Ų | 139 | 85.8 Ų | 85.8 | 64% | 0.644 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -77.9 | -46.5 | -168.9 | -150.2 | 31.7 | 0 | 0 | 0 | 112.1 | C63 L64 D65 | H61-C63 PolarHBondContact O-N 3.41Å; H61-L64 WeakPolarHBondContact O-CB 3.21Å; H61-L64 PolarHBondContact O-N 3.33Å; H61-D65 PolarHBondContact O-N 3.27Å |
| 62 | G | 41.9 | Very low | 42.9 | Very low | 42 Ų | 42 | 86.4 Ų | 86.4 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -25.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T66 | G62-T66 PolarHBondContact O-N 2.83Å; G62-T66 PolarHBondContact O-OG1 2.96Å |
| 63 | C | 40 | Very low | 42.9 | Very low | 20 Ų | 20 | 83 Ų | 83 | 14% | 0.135 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -78.4 | -31 | 173.5 | -92.7 | 0 | 0 | 0 | 0 | 114.2 | A59 H61 D65 T66 V67 L106 | A59-C63 VanDerWaalsContact O-CB 3.23Å; A59-C63 WeakPolarHBondContact O-CB 3.36Å; A59-C63 PolarHBondContact O-N 2.91Å; A59-C63 PolarHBondContact O-SG 2.87Å; H61-C63 PolarHBondContact O-N 3.41Å; C63-D65 VanDerWaalsContact C-N 3.31Å; C63-D65 PolarHBondContact O-N 2.99Å; C63-T66 VanDerWaalsContact O-CB 3.3Å; C63-T66 WeakPolarHBondContact O-CB 3.39Å; C63-T66 PolarHBondContact O-N 3.49Å; C63-T66 VanDerWaalsContact O-N 3.14Å; C63-V67 PolarHBondContact O-N 3.25Å; C63-L106 HydrophobicContact CB-CB 3.22Å; C63-L106 HydrophobicContact CB-CD1 2.86Å; C63-L106 HydrophobicContact CB-CD2 3.97Å; C63-L106 HydrophobicContact CB-CG 3.4Å; C63-L106 VanDerWaalsContact CB-CG 3.4Å; C63-L106 WeakPolarHBondContact O-CD2 3.4Å; C63-L106 WeakPolarHBondContact SG-CB 3.04Å |
| 64 | L | 40.3 | Very low | 42.7 | Very low | 64 Ų | 64 | 79.9 Ų | 79.9 | 34% | 0.335 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.4 | -50.1 | 171.6 | -95.9 | 150.5 | 0 | 0 | 0 | 110.9 | L60 H61 T66 V67 I68 F102 | L60-L64 PolarHBondContact O-N 3.45Å; H61-L64 WeakPolarHBondContact O-CB 3.21Å; H61-L64 PolarHBondContact O-N 3.33Å; L64-T66 PolarHBondContact O-N 2.89Å; L64-V67 PolarHBondContact O-N 3.13Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.48Å; L64-F102 HydrophobicContact CB-CE1 4.39Å; L64-F102 HydrophobicContact CB-CZ 4.48Å; L64-F102 HydrophobicContact CD1-CE1 3.67Å; L64-F102 HydrophobicContact CD1-CZ 3.98Å; L64-F102 HydrophobicContact CD2-CE1 3.92Å; L64-F102 HydrophobicContact CD2-CE2 4.32Å; L64-F102 HydrophobicContact CD2-CZ 3.34Å; L64-F102 HydrophobicContact CG-CE1 3.35Å; L64-F102 HydrophobicContact CG-CZ 3.34Å |
| 65 | D | 45.5 | Very low | 42.3 | Very low | 88 Ų | 88 | 76 Ų | 76 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 178 | -65.6 | -17.5 | 0 | 0 | 0 | 110.9 | H61 C63 V67 I68 N69 | H61-D65 PolarHBondContact O-N 3.27Å; C63-D65 VanDerWaalsContact C-N 3.31Å; C63-D65 PolarHBondContact O-N 2.99Å; D65-V67 VanDerWaalsContact C-N 3.34Å; D65-V67 PolarHBondContact O-N 2.97Å; D65-I68 PolarHBondContact O-N 2.8Å; D65-N69 WeakPolarHBondContact O-CB 3.42Å; D65-N69 PolarHBondContact O-N 2.87Å; D65-N69 PolarHBondContact O-ND2 2.91Å |
| 66 | T | 44.5 | Very low | 42.4 | Very low | 41 Ų | 41 | 76.3 Ų | 76.3 | 25% | 0.252 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | G62 C63 L64 L70 L110 | G62-T66 PolarHBondContact O-N 2.83Å; G62-T66 PolarHBondContact O-OG1 2.96Å; C63-T66 VanDerWaalsContact O-CB 3.3Å; C63-T66 WeakPolarHBondContact O-CB 3.39Å; C63-T66 PolarHBondContact O-N 3.49Å; C63-T66 VanDerWaalsContact O-N 3.14Å; L64-T66 PolarHBondContact O-N 2.89Å; T66-L70 WeakPolarHBondContact O-CB 3.46Å; T66-L70 PolarHBondContact O-N 2.71Å; T66-L110 HydrophobicContact CG2-CD1 4.04Å; T66-L110 HydrophobicContact CG2-CD2 3.24Å; T66-L110 HydrophobicContact CG2-CG 3.5Å; T66-L110 VanDerWaalsContact CG2-CG 3.5Å |
| 67 | V | 44.1 | Very low | 42.2 | Very low | 12 Ų | 12 | 74.8 Ų | 74.8 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -75.1 | -36.6 | 177.9 | 166.9 | 0 | 0 | 0 | 0 | 112.8 | C63 L64 D65 L70 Q71 L106 L109 | C63-V67 PolarHBondContact O-N 3.25Å; L64-V67 PolarHBondContact O-N 3.13Å; D65-V67 VanDerWaalsContact C-N 3.34Å; D65-V67 PolarHBondContact O-N 2.97Å; V67-L70 PolarHBondContact O-N 3.32Å; V67-Q71 HydrophobicContact CG1-CG 4.46Å; V67-Q71 WeakPolarHBondContact O-CB 3.19Å; V67-Q71 VanDerWaalsContact O-CG 3.31Å; V67-Q71 WeakPolarHBondContact O-CG 3.1Å; V67-Q71 PolarHBondContact O-N 3.49Å; V67-L106 HydrophobicContact CB-CD2 3.98Å; V67-L106 HydrophobicContact CG2-CB 4.45Å; V67-L106 HydrophobicContact CG2-CD2 3.12Å; V67-L106 HydrophobicContact CG2-CG 4.33Å; V67-L109 HydrophobicContact CB-CD1 4.04Å; V67-L109 HydrophobicContact CG1-CD1 3.62Å; V67-L109 HydrophobicContact CG2-CB 3.81Å; V67-L109 HydrophobicContact CG2-CD1 3.19Å; V67-L109 HydrophobicContact CG2-CG 4.13Å |
| 68 | I | 44.4 | Very low | 42.1 | Very low | 80 Ų | 80 | 67.5 Ų | 67.5 | 41% | 0.41 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63 | -49 | 173.8 | -65.9 | 168.8 | 0 | 0 | 0 | 109 | L64 D65 L70 Q71 E72 | L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.48Å; D65-I68 PolarHBondContact O-N 2.8Å; I68-L70 PolarHBondContact O-N 3.43Å; I68-Q71 WeakPolarHBondContact O-CB 3.5Å; I68-Q71 PolarHBondContact O-N 3Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; I68-E72 WeakPolarHBondContact O-CG 3.49Å; I68-E72 PolarHBondContact O-N 3.3Å |
| 69 | N | 44.8 | Very low | 42.1 | Very low | 92 Ų | 92 | 71.5 Ų | 71.5 | 49% | 0.492 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -34 | 175.9 | -69.1 | -19.6 | 0 | 0 | 0 | 112.6 | D65 S73 | D65-N69 WeakPolarHBondContact O-CB 3.42Å; D65-N69 PolarHBondContact O-N 2.87Å; D65-N69 PolarHBondContact O-ND2 2.91Å; N69-S73 WeakPolarHBondContact O-CB 3.44Å; N69-S73 PolarHBondContact O-N 3.31Å; N69-S73 PolarHBondContact O-OG 3.07Å |
| 70 | L | 45.2 | Very low | 42.3 | Very low | 9 Ų | 9 | 72.2 Ų | 72.2 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71 | -40.9 | 175.6 | -176.9 | 62.2 | 0 | 0 | 0 | 112.3 | T66 V67 I68 E72 S73 I74 L109 S113 | T66-L70 WeakPolarHBondContact O-CB 3.46Å; T66-L70 PolarHBondContact O-N 2.71Å; V67-L70 PolarHBondContact O-N 3.32Å; I68-L70 PolarHBondContact O-N 3.43Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.01Å; L70-S73 PolarHBondContact O-N 3.13Å; L70-I74 HydrophobicContact CD1-CD1 3.65Å; L70-I74 HydrophobicContact CD1-CG1 3.85Å; L70-I74 HydrophobicContact CD2-CD1 4.02Å; L70-I74 HydrophobicContact CG-CD1 3.55Å; L70-I74 HydrophobicContact CG-CG1 4.13Å; L70-I74 VanDerWaalsContact O-CB 3.31Å; L70-I74 WeakPolarHBondContact O-CB 3.45Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.33Å; L70-I74 PolarHBondContact O-N 3.48Å; L70-L109 HydrophobicContact CD2-CB 3.78Å; L70-L109 HydrophobicContact CD2-CD2 4.33Å; L70-L109 WeakPolarHBondContact CD2-O 3.28Å; L70-S113 VanDerWaalsContact CD1-CA 3.49Å; L70-S113 WeakPolarHBondContact CD1-OG 3.23Å; L70-S113 VanDerWaalsContact CD2-OG 3.29Å; L70-S113 WeakPolarHBondContact CD2-OG 2.88Å |
| 71 | Q | 42.1 | Very low | 42.3 | Very low | 72 Ų | 72 | 72.3 Ų | 72.3 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 173.2 | -78.2 | -180 | -1.8 | 0 | 0 | 110.3 | V67 I68 L75 L84 | V67-Q71 HydrophobicContact CG1-CG 4.46Å; V67-Q71 WeakPolarHBondContact O-CB 3.19Å; V67-Q71 VanDerWaalsContact O-CG 3.31Å; V67-Q71 WeakPolarHBondContact O-CG 3.1Å; V67-Q71 PolarHBondContact O-N 3.49Å; I68-Q71 WeakPolarHBondContact O-CB 3.5Å; I68-Q71 PolarHBondContact O-N 3Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; Q71-L75 WeakPolarHBondContact O-CB 3.03Å; Q71-L75 WeakPolarHBondContact O-CD1 3.46Å; Q71-L75 WeakPolarHBondContact O-CG 3.25Å; Q71-L75 PolarHBondContact O-N 3.25Å; Q71-L84 HydrophobicContact CG-CD2 3.79Å |
| 72 | E | 43.3 | Very low | 42.6 | Very low | 127 Ų | 127 | 70.1 Ų | 70.1 | 59% | 0.593 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 177 | -69.5 | -177.6 | 168.1 | 0 | 0 | 112.1 | I68 L70 A76 | I68-E72 WeakPolarHBondContact O-CG 3.49Å; I68-E72 PolarHBondContact O-N 3.3Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.01Å; E72-A76 PolarHBondContact O-N 3.01Å |
| 73 | S | 42.9 | Very low | 42.7 | Very low | 53 Ų | 53 | 71.2 Ų | 71.2 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | N69 L70 A76 E116 | N69-S73 WeakPolarHBondContact O-CB 3.44Å; N69-S73 PolarHBondContact O-N 3.31Å; N69-S73 PolarHBondContact O-OG 3.07Å; L70-S73 PolarHBondContact O-N 3.13Å; S73-A76 WeakPolarHBondContact O-CB 3.42Å; S73-A76 PolarHBondContact O-N 2.89Å; S73-E116 VanDerWaalsContact O-OE1 3.08Å |
| 74 | I | 41.3 | Very low | 43.1 | Very low | 25 Ų | 25 | 72.8 Ų | 72.8 | 13% | 0.128 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.9 | -40.2 | 179.4 | -69 | 175.9 | 0 | 0 | 0 | 111 | L70 A76 G77 I78 L80 E116 | L70-I74 HydrophobicContact CD1-CD1 3.65Å; L70-I74 HydrophobicContact CD1-CG1 3.85Å; L70-I74 HydrophobicContact CD2-CD1 4.02Å; L70-I74 HydrophobicContact CG-CD1 3.55Å; L70-I74 HydrophobicContact CG-CG1 4.13Å; L70-I74 VanDerWaalsContact O-CB 3.31Å; L70-I74 WeakPolarHBondContact O-CB 3.45Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.33Å; L70-I74 PolarHBondContact O-N 3.48Å; I74-A76 PolarHBondContact O-N 3.04Å; I74-G77 PolarHBondContact O-N 3.24Å; I74-I78 WeakPolarHBondContact CG2-O 3.29Å; I74-I78 PolarHBondContact O-N 2.71Å; I74-I78 VanDerWaalsContact O-O 3.09Å; I74-L80 HydrophobicContact CG2-CB 3.85Å; I74-L80 HydrophobicContact CG2-CD1 4.16Å; I74-E116 HydrophobicContact CG1-CG 4.42Å; I74-E116 VanDerWaalsContact CG1-OE2 3.28Å; I74-E116 WeakPolarHBondContact CG1-OE2 3.33Å |
| 75 | L | 36.5 | Very low | 43.3 | Very low | 123 Ų | 123 | 73.1 Ų | 73.1 | 64% | 0.644 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.8 | -31.9 | 174.1 | -78.9 | 167.2 | 0 | 0 | 0 | 111.5 | Q71 G77 V81 | Q71-L75 WeakPolarHBondContact O-CB 3.03Å; Q71-L75 WeakPolarHBondContact O-CD1 3.46Å; Q71-L75 WeakPolarHBondContact O-CG 3.25Å; Q71-L75 PolarHBondContact O-N 3.25Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.45Å; L75-V81 HydrophobicContact CD2-CG2 3.88Å |
| 76 | A | 44.4 | Very low | 43.5 | Very low | 61 Ų | 61 | 74.5 Ų | 74.5 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -0.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | E72 S73 I74 | E72-A76 PolarHBondContact O-N 3.01Å; S73-A76 WeakPolarHBondContact O-CB 3.42Å; S73-A76 PolarHBondContact O-N 2.89Å; I74-A76 PolarHBondContact O-N 3.04Å |
| 77 | G | 43.9 | Very low | 43.8 | Very low | 44 Ų | 44 | 74.4 Ų | 74.4 | 45% | 0.454 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -163.1 | -15.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | I74 L75 | I74-G77 PolarHBondContact O-N 3.24Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.45Å |
| 78 | I | 41.4 | Very low | 44.2 | Very low | 35 Ų | 35 | 77 Ų | 77 | 18% | 0.179 | 42% | 0.42 | C | S | . | . | trans | -138.7 | 118.8 | -178.8 | -55.6 | -178.5 | 0 | 0 | 0 | 109.4 | I74 L80 E116 C119 F123 | I74-I78 WeakPolarHBondContact CG2-O 3.29Å; I74-I78 PolarHBondContact O-N 2.71Å; I74-I78 VanDerWaalsContact O-O 3.09Å; I78-L80 HydrophobicContact CG2-CD1 4.11Å; I78-L80 HydrophobicContact CG2-CG 4.16Å; I78-L80 PolarHBondContact O-N 3.19Å; I78-E116 HydrophobicContact CD1-CG 3.98Å; I78-C119 HydrophobicContact CD1-CB 3.77Å; I78-F123 HydrophobicContact CD1-CE2 3.98Å; I78-F123 HydrophobicContact CG1-CE2 4.36Å | ||
| 79 | R | 40 | Very low | 44.7 | Very low | 243 Ų | 243 | 78.3 Ų | 78.3 | 92% | 0.917 | 43% | 0.428 | S | S | * | . | trans | -63 | 72.9 | 170.5 | -76.5 | -179.4 | 155.1 | -171.5 | -6 | 111.6 | ||||
| 80 | L | 44.5 | Very low | 45 | Very low | 60 Ų | 60 | 80.6 Ų | 80.6 | 31% | 0.314 | 43% | 0.43 | S | S | . | . | trans | -96 | 0.7 | 166.4 | -94.3 | 160.8 | 0 | 0 | 0 | 112.1 | I74 I78 P82 V83 L84 | I74-L80 HydrophobicContact CG2-CB 3.85Å; I74-L80 HydrophobicContact CG2-CD1 4.16Å; I78-L80 HydrophobicContact CG2-CD1 4.11Å; I78-L80 HydrophobicContact CG2-CG 4.16Å; I78-L80 PolarHBondContact O-N 3.19Å; L80-P82 VanDerWaalsContact C-N 3.27Å; L80-P82 VanDerWaalsContact O-N 3.07Å; L80-V83 HydrophobicContact CD2-CB 4.02Å; L80-V83 HydrophobicContact CD2-CG2 4.07Å; L80-V83 PolarHBondContact O-N 3.34Å; L80-L84 PolarHBondContact O-N 3.39Å | ||
| 81 | V | 39.3 | Very low | 45.4 | Very low | 89 Ų | 89 | 80.3 Ų | 80.3 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40 | -44 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 114 | L75 V83 P85 | L75-V81 HydrophobicContact CD2-CG2 3.88Å; V81-V83 PolarHBondContact O-N 2.75Å; V81-P85 WeakPolarHBondContact O-CD 3.01Å |
| 82 | P | 43.4 | Very low | 45.9 | Very low | 93 Ų | 93 | 81.3 Ų | 81.3 | 60% | 0.604 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -19.6 | -178.9 | 27.5 | -33.5 | 0 | 0 | 0 | 114.8 | L80 | L80-P82 VanDerWaalsContact C-N 3.27Å; L80-P82 VanDerWaalsContact O-N 3.07Å |
| 83 | V | 45.5 | Very low | 46.6 | Very low | 65 Ų | 65 | 82 Ų | 82 | 39% | 0.394 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -25.5 | -176.8 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | L80 V81 I86 L87 | L80-V83 HydrophobicContact CD2-CB 4.02Å; L80-V83 HydrophobicContact CD2-CG2 4.07Å; L80-V83 PolarHBondContact O-N 3.34Å; V81-V83 PolarHBondContact O-N 2.75Å; V83-I86 PolarHBondContact O-N 3.07Å; V83-L87 HydrophobicContact CG1-CD1 3.84Å; V83-L87 HydrophobicContact CG1-CG 4.06Å; V83-L87 PolarHBondContact O-N 3.01Å |
| 84 | L | 47.4 | Very low | 46.8 | Very low | 52 Ų | 52 | 81 Ų | 81 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | -174.5 | -172.5 | 68.3 | 0 | 0 | 0 | 114 | Q71 L80 I86 L87 L88 L109 | Q71-L84 HydrophobicContact CG-CD2 3.79Å; L80-L84 PolarHBondContact O-N 3.39Å; L84-I86 VanDerWaalsContact C-N 3.3Å; L84-I86 PolarHBondContact O-N 3.14Å; L84-L87 PolarHBondContact O-N 2.99Å; L84-L88 WeakPolarHBondContact O-CB 3.25Å; L84-L88 PolarHBondContact O-N 3.42Å; L84-L109 HydrophobicContact CD1-CD2 4.46Å |
| 85 | P | 45.9 | Very low | 47.2 | Very low | 71 Ų | 71 | 82.3 Ų | 82.3 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 173.8 | -23.7 | 34 | 0 | 0 | 0 | 112.1 | V81 L88 D89 | V81-P85 WeakPolarHBondContact O-CD 3.01Å; P85-L88 PolarHBondContact O-N 2.9Å; P85-D89 WeakPolarHBondContact O-CB 3.48Å; P85-D89 PolarHBondContact O-N 2.79Å |
| 86 | I | 49.3 | Very low | 48.2 | Very low | 117 Ų | 117 | 80.8 Ų | 80.8 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 178.7 | -57.6 | 173.1 | 0 | 0 | 0 | 110.6 | V83 L84 Y90 | V83-I86 PolarHBondContact O-N 3.07Å; L84-I86 VanDerWaalsContact C-N 3.3Å; L84-I86 PolarHBondContact O-N 3.14Å; I86-Y90 VanDerWaalsContact O-CB 3.25Å; I86-Y90 WeakPolarHBondContact O-CB 3.22Å; I86-Y90 PolarHBondContact O-N 3.46Å |
| 87 | L | 51.4 | Low | 49 | Very low | 40 Ų | 40 | 83.1 Ų | 83.1 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.2 | -79.4 | 167.7 | 0 | 0 | 0 | 111.4 | V83 L84 V91 F112 | V83-L87 HydrophobicContact CG1-CD1 3.84Å; V83-L87 HydrophobicContact CG1-CG 4.06Å; V83-L87 PolarHBondContact O-N 3.01Å; L84-L87 PolarHBondContact O-N 2.99Å; L87-V91 VanDerWaalsContact O-CB 3.28Å; L87-V91 WeakPolarHBondContact O-CB 3.24Å; L87-V91 WeakPolarHBondContact O-CG2 3.2Å; L87-V91 PolarHBondContact O-N 3.28Å; L87-F112 HydrophobicContact CD1-CE2 4.39Å; L87-F112 HydrophobicContact CD1-CZ 4.46Å |
| 88 | L | 52.1 | Low | 49.7 | Very low | 65 Ų | 65 | 84.3 Ų | 84.3 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 178.9 | -170.7 | 66.3 | 0 | 0 | 0 | 111.3 | L84 P85 V91 L92 F105 | L84-L88 WeakPolarHBondContact O-CB 3.25Å; L84-L88 PolarHBondContact O-N 3.42Å; P85-L88 PolarHBondContact O-N 2.9Å; L88-V91 WeakPolarHBondContact O-CB 3.22Å; L88-V91 PolarHBondContact O-N 3.49Å; L88-V91 VanDerWaalsContact O-N 3.17Å; L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 HydrophobicContact CG-CG 4.43Å; L88-L92 WeakPolarHBondContact O-CB 3.1Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L88-L92 PolarHBondContact O-N 3.16Å; L88-F105 HydrophobicContact CD1-CE1 3.78Å; L88-F105 HydrophobicContact CD1-CZ 3.68Å |
| 89 | D | 53.4 | Low | 50.3 | Low | 109 Ų | 109 | 85.8 Ų | 85.8 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | 176 | -78.4 | -15.4 | 0 | 0 | 0 | 111.4 | P85 V91 L92 Y93 | P85-D89 WeakPolarHBondContact O-CB 3.48Å; P85-D89 PolarHBondContact O-N 2.79Å; D89-V91 PolarHBondContact O-N 3.31Å; D89-L92 PolarHBondContact O-N 3.01Å; D89-Y93 VanDerWaalsContact O-CB 3.26Å; D89-Y93 WeakPolarHBondContact O-CB 3.43Å; D89-Y93 PolarHBondContact O-N 3.23Å |
| 90 | Y | 52.9 | Low | 50.7 | Low | 139 Ų | 139 | 76 Ų | 76 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.4 | -38.3 | 175.5 | 179.2 | -102.6 | 0 | 0 | 0 | 111.4 | I86 N94 | I86-Y90 VanDerWaalsContact O-CB 3.25Å; I86-Y90 WeakPolarHBondContact O-CB 3.22Å; I86-Y90 PolarHBondContact O-N 3.46Å; Y90-N94 VanDerWaalsContact CE1-ND2 3.35Å; Y90-N94 WeakPolarHBondContact CE1-ND2 3.35Å; Y90-N94 WeakPolarHBondContact CE2-ND2 3.2Å; Y90-N94 VanDerWaalsContact CZ-ND2 3.27Å; Y90-N94 PolarHBondContact O-N 2.95Å; Y90-N94 PolarHBondContact O-ND2 3.44Å |
| 91 | V | 52.8 | Low | 50.9 | Low | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.018 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -75.6 | -46.3 | -179.2 | 156.2 | 0 | 0 | 0 | 0 | 112.4 | L87 L88 D89 Y93 N94 I95 M100 F105 | L87-V91 VanDerWaalsContact O-CB 3.28Å; L87-V91 WeakPolarHBondContact O-CB 3.24Å; L87-V91 WeakPolarHBondContact O-CG2 3.2Å; L87-V91 PolarHBondContact O-N 3.28Å; L88-V91 WeakPolarHBondContact O-CB 3.22Å; L88-V91 PolarHBondContact O-N 3.49Å; L88-V91 VanDerWaalsContact O-N 3.17Å; D89-V91 PolarHBondContact O-N 3.31Å; V91-Y93 PolarHBondContact O-N 3.15Å; V91-N94 PolarHBondContact O-N 3.18Å; V91-N94 VanDerWaalsContact O-N 3.07Å; V91-I95 HydrophobicContact CG1-CD1 3.52Å; V91-I95 HydrophobicContact CG1-CG1 4.26Å; V91-I95 WeakPolarHBondContact O-CB 3.47Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.36Å; V91-I95 PolarHBondContact O-N 3.38Å; V91-M100 HydrophobicContact CG2-SD 3.95Å; V91-F105 HydrophobicContact CB-CB 4.3Å; V91-F105 HydrophobicContact CB-CD1 4.46Å; V91-F105 HydrophobicContact CB-CD2 3.64Å; V91-F105 HydrophobicContact CB-CE2 3.78Å; V91-F105 HydrophobicContact CB-CG 3.92Å; V91-F105 HydrophobicContact CB-CZ 4.22Å; V91-F105 HydrophobicContact CG1-CB 3.43Å; V91-F105 VanDerWaalsContact CG1-CB 3.43Å; V91-F105 HydrophobicContact CG1-CD1 3.54Å; V91-F105 HydrophobicContact CG1-CD2 3.52Å; V91-F105 HydrophobicContact CG1-CE1 3.95Å; V91-F105 HydrophobicContact CG1-CE2 3.92Å; V91-F105 HydrophobicContact CG1-CG 3.23Å; V91-F105 HydrophobicContact CG1-CZ 4.07Å; V91-F105 HydrophobicContact CG2-CB 4Å; V91-F105 HydrophobicContact CG2-CD2 2.99Å; V91-F105 HydrophobicContact CG2-CE2 3.33Å; V91-F105 HydrophobicContact CG2-CG 3.68Å; V91-F105 HydrophobicContact CG2-CZ 4.25Å |
| 92 | L | 53.1 | Low | 51.2 | Low | 93 Ų | 93 | 74.2 Ų | 74.2 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 176 | -70.9 | 174.3 | 0 | 0 | 0 | 109.9 | L88 D89 I95 S96 | L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 HydrophobicContact CG-CG 4.43Å; L88-L92 WeakPolarHBondContact O-CB 3.1Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L88-L92 PolarHBondContact O-N 3.16Å; D89-L92 PolarHBondContact O-N 3.01Å; L92-I95 PolarHBondContact O-N 3.34Å; L92-S96 WeakPolarHBondContact O-CB 3.16Å; L92-S96 PolarHBondContact O-N 2.95Å |
| 93 | Y | 57.9 | Low | 51.2 | Low | 143 Ų | 143 | 70.8 Ų | 70.8 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.9 | -50.8 | 171.3 | -179.6 | -100.3 | 0 | 0 | 0 | 112.3 | D89 V91 I95 S96 L97 | D89-Y93 VanDerWaalsContact O-CB 3.26Å; D89-Y93 WeakPolarHBondContact O-CB 3.43Å; D89-Y93 PolarHBondContact O-N 3.23Å; V91-Y93 PolarHBondContact O-N 3.15Å; Y93-I95 VanDerWaalsContact C-N 3.32Å; Y93-I95 PolarHBondContact O-N 3.41Å; Y93-S96 PolarHBondContact O-N 3.37Å; Y93-S96 PolarHBondContact O-OG 3.27Å; Y93-L97 HydrophobicContact CD1-CD1 4.05Å; Y93-L97 HydrophobicContact CE1-CD1 3.42Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.42Å; Y93-L97 HydrophobicContact CE1-CG 4.39Å; Y93-L97 HydrophobicContact CE2-CD1 4.36Å; Y93-L97 PolarHBondContact O-N 3.33Å; Y93-L97 VanDerWaalsContact O-N 3.15Å |
| 94 | N | 47.3 | Very low | 51.3 | Low | 31 Ų | 31 | 68.5 Ų | 68.5 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.7 | -30.8 | 179 | -80.5 | -83.7 | 0 | 0 | 0 | 113.6 | Y90 V91 L97 G98 G99 M100 | Y90-N94 VanDerWaalsContact CE1-ND2 3.35Å; Y90-N94 WeakPolarHBondContact CE1-ND2 3.35Å; Y90-N94 WeakPolarHBondContact CE2-ND2 3.2Å; Y90-N94 VanDerWaalsContact CZ-ND2 3.27Å; Y90-N94 PolarHBondContact O-N 2.95Å; Y90-N94 PolarHBondContact O-ND2 3.44Å; V91-N94 PolarHBondContact O-N 3.18Å; V91-N94 VanDerWaalsContact O-N 3.07Å; N94-L97 PolarHBondContact O-N 3.01Å; N94-G98 PolarHBondContact O-N 3.23Å; N94-G99 PolarHBondContact O-N 3.42Å; N94-M100 HydrophobicContact CB-CB 3.64Å; N94-M100 HydrophobicContact CB-CE 4.44Å; N94-M100 HydrophobicContact CB-SD 4.41Å; N94-M100 PolarHBondContact O-N 2.85Å; N94-M100 VanDerWaalsContact O-N 3.16Å |
| 95 | I | 48.9 | Very low | 51.3 | Low | 52 Ų | 52 | 66.1 Ų | 66.1 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 171.7 | -66.9 | 160.9 | 0 | 0 | 0 | 110.4 | V91 L92 Y93 L97 G98 M100 F102 | V91-I95 HydrophobicContact CG1-CD1 3.52Å; V91-I95 HydrophobicContact CG1-CG1 4.26Å; V91-I95 WeakPolarHBondContact O-CB 3.47Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.36Å; V91-I95 PolarHBondContact O-N 3.38Å; L92-I95 PolarHBondContact O-N 3.34Å; Y93-I95 VanDerWaalsContact C-N 3.32Å; Y93-I95 PolarHBondContact O-N 3.41Å; I95-L97 PolarHBondContact O-N 3.22Å; I95-G98 PolarHBondContact O-N 2.93Å; I95-M100 WeakPolarHBondContact CA-O 3.47Å; I95-M100 VanDerWaalsContact CG1-O 3.22Å; I95-M100 WeakPolarHBondContact CG1-O 3.39Å; I95-F102 HydrophobicContact CD1-CB 3.73Å; I95-F102 HydrophobicContact CD1-CD2 3.86Å; I95-F102 HydrophobicContact CD1-CG 4.29Å; I95-F102 HydrophobicContact CG1-CB 4.39Å |
| 96 | S | 57.1 | Low | 51.1 | Low | 92 Ų | 92 | 62.7 Ų | 62.7 | 64% | 0.643 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.9 | -31 | 178.8 | 76 | 0 | 0 | 0 | 0 | 112.9 | L92 Y93 G98 | L92-S96 WeakPolarHBondContact O-CB 3.16Å; L92-S96 PolarHBondContact O-N 2.95Å; Y93-S96 PolarHBondContact O-N 3.37Å; Y93-S96 PolarHBondContact O-OG 3.27Å; S96-G98 VanDerWaalsContact C-N 3.27Å; S96-G98 PolarHBondContact O-N 3.48Å |
| 97 | L | 62.2 | Low | 50.9 | Low | 109 Ų | 109 | 57.5 Ų | 57.5 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.8 | 175.3 | -65.3 | 179.5 | 0 | 0 | 0 | 113.6 | Y93 N94 I95 G99 | Y93-L97 HydrophobicContact CD1-CD1 4.05Å; Y93-L97 HydrophobicContact CE1-CD1 3.42Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.42Å; Y93-L97 HydrophobicContact CE1-CG 4.39Å; Y93-L97 HydrophobicContact CE2-CD1 4.36Å; Y93-L97 PolarHBondContact O-N 3.33Å; Y93-L97 VanDerWaalsContact O-N 3.15Å; N94-L97 PolarHBondContact O-N 3.01Å; I95-L97 PolarHBondContact O-N 3.22Å; L97-G99 PolarHBondContact O-N 3.1Å |
| 98 | G | 58.8 | Low | 50.9 | Low | 69 Ų | 69 | 56.5 Ų | 56.5 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 9.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | N94 I95 S96 | N94-G98 PolarHBondContact O-N 3.23Å; I95-G98 PolarHBondContact O-N 2.93Å; S96-G98 VanDerWaalsContact C-N 3.27Å; S96-G98 PolarHBondContact O-N 3.48Å |
| 99 | G | 52.9 | Low | 50.6 | Low | 66 Ų | 66 | 53.7 Ų | 53.7 | 68% | 0.68 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -87.1 | -15.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N94 L97 | N94-G99 PolarHBondContact O-N 3.42Å; L97-G99 PolarHBondContact O-N 3.1Å |
| 100 | M | 47.9 | Very low | 50.1 | Low | 37 Ų | 37 | 51.4 Ų | 51.4 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -140.6 | 126.5 | 176.2 | -171.7 | 176.8 | -72.1 | 0 | 0 | 108.1 | V91 N94 I95 D104 F105 | V91-M100 HydrophobicContact CG2-SD 3.95Å; N94-M100 HydrophobicContact CB-CB 3.64Å; N94-M100 HydrophobicContact CB-CE 4.44Å; N94-M100 HydrophobicContact CB-SD 4.41Å; N94-M100 PolarHBondContact O-N 2.85Å; N94-M100 VanDerWaalsContact O-N 3.16Å; I95-M100 WeakPolarHBondContact CA-O 3.47Å; I95-M100 VanDerWaalsContact CG1-O 3.22Å; I95-M100 WeakPolarHBondContact CG1-O 3.39Å; M100-D104 HydrophobicContact CG-CB 3.63Å; M100-F105 HydrophobicContact SD-CB 4.05Å |
| 101 | T | 49.6 | Very low | 49.8 | Very low | 74 Ų | 74 | 46.5 Ų | 46.5 | 45% | 0.454 | 28% | 0.279 | S | S | . | . | trans | -76.1 | 152.5 | 165.8 | 69.3 | 0 | 0 | 0 | 0 | 107.9 | A103 D104 F105 | T101-A103 PolarHBondContact O-N 3.06Å; T101-A103 VanDerWaalsContact O-N 3.12Å; T101-A103 WeakPolarHBondContact OG1-CB 3.35Å; T101-A103 PolarHBondContact OG1-N 3.23Å; T101-D104 WeakPolarHBondContact CB-OD2 3.41Å; T101-D104 PolarHBondContact N-OD2 3.43Å; T101-D104 WeakPolarHBondContact O-CB 3.35Å; T101-D104 PolarHBondContact O-N 3.01Å; T101-D104 VanDerWaalsContact OG1-CG 3.27Å; T101-D104 PolarHBondContact OG1-N 3.14Å; T101-D104 PolarHBondContact OG1-OD2 3.03Å; T101-F105 PolarHBondContact O-N 3.33Å | ||
| 102 | F | 46 | Very low | 49.4 | Very low | 38 Ų | 38 | 48.2 Ų | 48.2 | 17% | 0.167 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.6 | -31.9 | 172.7 | 177 | -99.3 | 0 | 0 | 0 | 110.7 | L60 L64 I95 D104 F105 L106 | L60-F102 HydrophobicContact CD1-CB 3.56Å; L60-F102 HydrophobicContact CD1-CD1 3.39Å; L60-F102 HydrophobicContact CD1-CE1 4.47Å; L60-F102 HydrophobicContact CD1-CG 3.93Å; L60-F102 HydrophobicContact CG-CD1 3.55Å; L60-F102 HydrophobicContact CG-CE1 4.22Å; L60-F102 HydrophobicContact CG-CG 4.49Å; L64-F102 HydrophobicContact CB-CE1 4.39Å; L64-F102 HydrophobicContact CB-CZ 4.48Å; L64-F102 HydrophobicContact CD1-CE1 3.67Å; L64-F102 HydrophobicContact CD1-CZ 3.98Å; L64-F102 HydrophobicContact CD2-CE1 3.92Å; L64-F102 HydrophobicContact CD2-CE2 4.32Å; L64-F102 HydrophobicContact CD2-CZ 3.34Å; L64-F102 HydrophobicContact CG-CE1 3.35Å; L64-F102 HydrophobicContact CG-CZ 3.34Å; I95-F102 HydrophobicContact CD1-CB 3.73Å; I95-F102 HydrophobicContact CD1-CD2 3.86Å; I95-F102 HydrophobicContact CD1-CG 4.29Å; I95-F102 HydrophobicContact CG1-CB 4.39Å; F102-D104 VanDerWaalsContact C-N 3.31Å; F102-D104 PolarHBondContact O-N 3.45Å; F102-F105 HydrophobicContact CD2-CD1 4.13Å; F102-F105 HydrophobicContact CE2-CD1 4Å; F102-F105 HydrophobicContact CE2-CE1 4.32Å; F102-F105 WeakPolarHBondContact O-CB 2.98Å; F102-F105 PolarHBondContact O-N 3.36Å; F102-F105 VanDerWaalsContact O-N 3.13Å; F102-L106 VanDerWaalsContact C-CD1 3.48Å; F102-L106 HydrophobicContact CD1-CD1 3.22Å; F102-L106 HydrophobicContact CD1-CG 4.26Å; F102-L106 HydrophobicContact CD2-CD1 4.43Å; F102-L106 HydrophobicContact CE1-CD1 3.06Å; F102-L106 HydrophobicContact CE1-CD2 3.88Å; F102-L106 HydrophobicContact CE1-CG 3.98Å; F102-L106 HydrophobicContact CE2-CD1 4.34Å; F102-L106 HydrophobicContact CE2-CD2 4.06Å; F102-L106 HydrophobicContact CG-CD1 3.89Å; F102-L106 HydrophobicContact CZ-CD1 3.68Å; F102-L106 HydrophobicContact CZ-CD2 3.56Å; F102-L106 HydrophobicContact CZ-CG 4.09Å; F102-L106 WeakPolarHBondContact O-CD1 3.38Å; F102-L106 WeakPolarHBondContact O-CG 3.44Å; F102-L106 PolarHBondContact O-N 3.26Å; F102-L106 VanDerWaalsContact O-N 3.15Å |
| 103 | A | 42.2 | Very low | 48.8 | Very low | 22 Ų | 22 | 45.2 Ų | 45.2 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.5 | -39.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A59 T101 L106 E107 | A59-A103 HydrophobicContact CB-CB 3.88Å; T101-A103 PolarHBondContact O-N 3.06Å; T101-A103 VanDerWaalsContact O-N 3.12Å; T101-A103 WeakPolarHBondContact OG1-CB 3.35Å; T101-A103 PolarHBondContact OG1-N 3.23Å; A103-L106 PolarHBondContact O-N 2.85Å; A103-E107 PolarHBondContact O-N 3.2Å |
| 104 | D | 47.5 | Very low | 48.1 | Very low | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | 178 | -57.9 | -53.7 | 0 | 0 | 0 | 111.5 | A49 M100 T101 F102 L106 E107 V108 | A49-D104 HydrophobicContact CB-CB 3.98Å; A49-D104 WeakPolarHBondContact CB-OD1 3.3Å; M100-D104 HydrophobicContact CG-CB 3.63Å; T101-D104 WeakPolarHBondContact CB-OD2 3.41Å; T101-D104 PolarHBondContact N-OD2 3.43Å; T101-D104 WeakPolarHBondContact O-CB 3.35Å; T101-D104 PolarHBondContact O-N 3.01Å; T101-D104 VanDerWaalsContact OG1-CG 3.27Å; T101-D104 PolarHBondContact OG1-N 3.14Å; T101-D104 PolarHBondContact OG1-OD2 3.03Å; F102-D104 VanDerWaalsContact C-N 3.31Å; F102-D104 PolarHBondContact O-N 3.45Å; D104-L106 PolarHBondContact O-N 3.28Å; D104-E107 WeakPolarHBondContact O-CB 3.43Å; D104-E107 PolarHBondContact O-N 3.32Å; D104-V108 WeakPolarHBondContact O-CG2 3.41Å; D104-V108 PolarHBondContact O-N 3.08Å; D104-V108 VanDerWaalsContact O-N 3.07Å |
| 105 | F | 49.2 | Very low | 47.7 | Very low | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 173.4 | 165.3 | -126.4 | 0 | 0 | 0 | 113 | L88 V91 M100 T101 F102 E107 V108 L109 | L88-F105 HydrophobicContact CD1-CE1 3.78Å; L88-F105 HydrophobicContact CD1-CZ 3.68Å; V91-F105 HydrophobicContact CB-CB 4.3Å; V91-F105 HydrophobicContact CB-CD1 4.46Å; V91-F105 HydrophobicContact CB-CD2 3.64Å; V91-F105 HydrophobicContact CB-CE2 3.78Å; V91-F105 HydrophobicContact CB-CG 3.92Å; V91-F105 HydrophobicContact CB-CZ 4.22Å; V91-F105 HydrophobicContact CG1-CB 3.43Å; V91-F105 VanDerWaalsContact CG1-CB 3.43Å; V91-F105 HydrophobicContact CG1-CD1 3.54Å; V91-F105 HydrophobicContact CG1-CD2 3.52Å; V91-F105 HydrophobicContact CG1-CE1 3.95Å; V91-F105 HydrophobicContact CG1-CE2 3.92Å; V91-F105 HydrophobicContact CG1-CG 3.23Å; V91-F105 HydrophobicContact CG1-CZ 4.07Å; V91-F105 HydrophobicContact CG2-CB 4Å; V91-F105 HydrophobicContact CG2-CD2 2.99Å; V91-F105 HydrophobicContact CG2-CE2 3.33Å; V91-F105 HydrophobicContact CG2-CG 3.68Å; V91-F105 HydrophobicContact CG2-CZ 4.25Å; M100-F105 HydrophobicContact SD-CB 4.05Å; T101-F105 PolarHBondContact O-N 3.33Å; F102-F105 HydrophobicContact CD2-CD1 4.13Å; F102-F105 HydrophobicContact CE2-CD1 4Å; F102-F105 HydrophobicContact CE2-CE1 4.32Å; F102-F105 WeakPolarHBondContact O-CB 2.98Å; F102-F105 PolarHBondContact O-N 3.36Å; F102-F105 VanDerWaalsContact O-N 3.13Å; F105-E107 PolarHBondContact O-N 2.89Å; F105-V108 HydrophobicContact CD2-CB 4.42Å; F105-V108 WeakPolarHBondContact O-CA 3.37Å; F105-V108 WeakPolarHBondContact O-CB 3.39Å; F105-V108 PolarHBondContact O-N 3.45Å; F105-V108 VanDerWaalsContact O-N 3.08Å; F105-L109 HydrophobicContact CD1-CD1 4.04Å; F105-L109 HydrophobicContact CD2-CD1 4.05Å; F105-L109 HydrophobicContact CD2-CG 4.13Å; F105-L109 HydrophobicContact CE1-CD1 3.45Å; F105-L109 VanDerWaalsContact CE1-CD1 3.45Å; F105-L109 HydrophobicContact CE1-CG 4.5Å; F105-L109 HydrophobicContact CE2-CD1 3.49Å; F105-L109 VanDerWaalsContact CE2-CD1 3.49Å; F105-L109 HydrophobicContact CE2-CD2 4.25Å; F105-L109 HydrophobicContact CE2-CG 3.77Å; F105-L109 HydrophobicContact CG-CD1 4.36Å; F105-L109 HydrophobicContact CZ-CD1 3.21Å; F105-L109 HydrophobicContact CZ-CG 4.03Å; F105-L109 PolarHBondContact O-N 2.97Å |
| 106 | L | 41.1 | Very low | 47.2 | Very low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77.6 | -24.8 | -174.1 | -58.3 | 153.7 | 0 | 0 | 0 | 110.4 | C63 V67 F102 A103 D104 L109 L110 | C63-L106 HydrophobicContact CB-CB 3.22Å; C63-L106 HydrophobicContact CB-CD1 2.86Å; C63-L106 HydrophobicContact CB-CD2 3.97Å; C63-L106 HydrophobicContact CB-CG 3.4Å; C63-L106 VanDerWaalsContact CB-CG 3.4Å; C63-L106 WeakPolarHBondContact O-CD2 3.4Å; C63-L106 WeakPolarHBondContact SG-CB 3.04Å; V67-L106 HydrophobicContact CB-CD2 3.98Å; V67-L106 HydrophobicContact CG2-CB 4.45Å; V67-L106 HydrophobicContact CG2-CD2 3.12Å; V67-L106 HydrophobicContact CG2-CG 4.33Å; F102-L106 VanDerWaalsContact C-CD1 3.48Å; F102-L106 HydrophobicContact CD1-CD1 3.22Å; F102-L106 HydrophobicContact CD1-CG 4.26Å; F102-L106 HydrophobicContact CD2-CD1 4.43Å; F102-L106 HydrophobicContact CE1-CD1 3.06Å; F102-L106 HydrophobicContact CE1-CD2 3.88Å; F102-L106 HydrophobicContact CE1-CG 3.98Å; F102-L106 HydrophobicContact CE2-CD1 4.34Å; F102-L106 HydrophobicContact CE2-CD2 4.06Å; F102-L106 HydrophobicContact CG-CD1 3.89Å; F102-L106 HydrophobicContact CZ-CD1 3.68Å; F102-L106 HydrophobicContact CZ-CD2 3.56Å; F102-L106 HydrophobicContact CZ-CG 4.09Å; F102-L106 WeakPolarHBondContact O-CD1 3.38Å; F102-L106 WeakPolarHBondContact O-CG 3.44Å; F102-L106 PolarHBondContact O-N 3.26Å; F102-L106 VanDerWaalsContact O-N 3.15Å; A103-L106 PolarHBondContact O-N 2.85Å; D104-L106 PolarHBondContact O-N 3.28Å; L106-L109 PolarHBondContact O-N 3.04Å; L106-L110 WeakPolarHBondContact O-CB 3.21Å; L106-L110 PolarHBondContact O-N 3.5Å |
| 107 | E | 45.5 | Very low | 46.4 | Very low | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.5 | -35.8 | 165.5 | -146.7 | -171.2 | 100.4 | 0 | 0 | 113.1 | R48 A49 A103 D104 F105 L109 H111 | R48-E107 VanDerWaalsContact C-CD 3.46Å; R48-E107 WeakPolarHBondContact CA-OE1 3.38Å; R48-E107 WeakPolarHBondContact CB-OE1 3.26Å; R48-E107 WeakPolarHBondContact CD-OE1 3.28Å; R48-E107 HydrophobicContact CG-CG 4.23Å; R48-E107 WeakPolarHBondContact CG-OE1 3.31Å; R48-E107 WeakPolarHBondContact CG-OE2 3.46Å; A49-E107 PolarHBondContact N-OE1 3.4Å; A103-E107 PolarHBondContact O-N 3.2Å; D104-E107 WeakPolarHBondContact O-CB 3.43Å; D104-E107 PolarHBondContact O-N 3.32Å; F105-E107 PolarHBondContact O-N 2.89Å; E107-L109 VanDerWaalsContact C-N 3.26Å; E107-L109 PolarHBondContact O-N 3.13Å; E107-H111 PolarHBondContact O-N 3.12Å |
| 108 | V | 50.3 | Low | 45.1 | Very low | 19 Ų | 19 | 36.6 Ų | 36.6 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -51 | -53.6 | 165.9 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | I45 D104 F105 H111 F112 | I45-V108 HydrophobicContact CB-CG2 4.49Å; I45-V108 HydrophobicContact CD1-CB 3.94Å; I45-V108 HydrophobicContact CD1-CG1 3.65Å; I45-V108 HydrophobicContact CD1-CG2 4.35Å; I45-V108 HydrophobicContact CG1-CB 4.41Å; I45-V108 HydrophobicContact CG2-CB 3.84Å; I45-V108 HydrophobicContact CG2-CG2 3.25Å; D104-V108 WeakPolarHBondContact O-CG2 3.41Å; D104-V108 PolarHBondContact O-N 3.08Å; D104-V108 VanDerWaalsContact O-N 3.07Å; F105-V108 HydrophobicContact CD2-CB 4.42Å; F105-V108 WeakPolarHBondContact O-CA 3.37Å; F105-V108 WeakPolarHBondContact O-CB 3.39Å; F105-V108 PolarHBondContact O-N 3.45Å; F105-V108 VanDerWaalsContact O-N 3.08Å; V108-H111 PolarHBondContact O-N 3.46Å; V108-F112 HydrophobicContact CG1-CD2 3.88Å; V108-F112 HydrophobicContact CG1-CE2 3.54Å; V108-F112 WeakPolarHBondContact O-CD2 3.35Å; V108-F112 PolarHBondContact O-N 3Å |
| 109 | L | 46.4 | Very low | 43.8 | Very low | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | -174.3 | -72.3 | 177.7 | 0 | 0 | 0 | 113.5 | V67 L70 L84 F105 L106 E107 H111 F112 S113 | V67-L109 HydrophobicContact CB-CD1 4.04Å; V67-L109 HydrophobicContact CG1-CD1 3.62Å; V67-L109 HydrophobicContact CG2-CB 3.81Å; V67-L109 HydrophobicContact CG2-CD1 3.19Å; V67-L109 HydrophobicContact CG2-CG 4.13Å; L70-L109 HydrophobicContact CD2-CB 3.78Å; L70-L109 HydrophobicContact CD2-CD2 4.33Å; L70-L109 WeakPolarHBondContact CD2-O 3.28Å; L84-L109 HydrophobicContact CD1-CD2 4.46Å; F105-L109 HydrophobicContact CD1-CD1 4.04Å; F105-L109 HydrophobicContact CD2-CD1 4.05Å; F105-L109 HydrophobicContact CD2-CG 4.13Å; F105-L109 HydrophobicContact CE1-CD1 3.45Å; F105-L109 VanDerWaalsContact CE1-CD1 3.45Å; F105-L109 HydrophobicContact CE1-CG 4.5Å; F105-L109 HydrophobicContact CE2-CD1 3.49Å; F105-L109 VanDerWaalsContact CE2-CD1 3.49Å; F105-L109 HydrophobicContact CE2-CD2 4.25Å; F105-L109 HydrophobicContact CE2-CG 3.77Å; F105-L109 HydrophobicContact CG-CD1 4.36Å; F105-L109 HydrophobicContact CZ-CD1 3.21Å; F105-L109 HydrophobicContact CZ-CG 4.03Å; F105-L109 PolarHBondContact O-N 2.97Å; L106-L109 PolarHBondContact O-N 3.04Å; E107-L109 VanDerWaalsContact C-N 3.26Å; E107-L109 PolarHBondContact O-N 3.13Å; L109-H111 VanDerWaalsContact C-N 3.27Å; L109-H111 PolarHBondContact O-N 3.33Å; L109-F112 HydrophobicContact CD2-CD2 4.35Å; L109-F112 CarbonylContact O-C 3.55Å; L109-F112 VanDerWaalsContact O-CA 3.31Å; L109-F112 WeakPolarHBondContact O-CA 3.34Å; L109-F112 VanDerWaalsContact O-CB 3.26Å; L109-F112 WeakPolarHBondContact O-CB 3.47Å; L109-F112 PolarHBondContact O-N 3.27Å; L109-S113 PolarHBondContact O-N 3.08Å; L109-S113 PolarHBondContact O-OG 3.41Å; L109-S113 VanDerWaalsContact O-OG 3.04Å |
| 110 | L | 42.8 | Very low | 43 | Very low | 62 Ų | 62 | 35.3 Ų | 35.3 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.5 | -37.6 | 174.3 | -90.1 | 169.8 | 0 | 0 | 0 | 113.4 | T66 L106 F112 S113 A114 | T66-L110 HydrophobicContact CG2-CD1 4.04Å; T66-L110 HydrophobicContact CG2-CD2 3.24Å; T66-L110 HydrophobicContact CG2-CG 3.5Å; T66-L110 VanDerWaalsContact CG2-CG 3.5Å; L106-L110 WeakPolarHBondContact O-CB 3.21Å; L106-L110 PolarHBondContact O-N 3.5Å; L110-F112 VanDerWaalsContact C-N 3.26Å; L110-F112 PolarHBondContact O-N 2.92Å; L110-S113 WeakPolarHBondContact CA-OG 3.48Å; L110-S113 WeakPolarHBondContact O-CB 3.1Å; L110-S113 PolarHBondContact O-N 3.07Å; L110-S113 PolarHBondContact O-OG 3.3Å; L110-A114 PolarHBondContact O-N 3.34Å |
| 111 | H | 46.4 | Very low | 42.5 | Very low | 35 Ų | 35 | 35.4 Ų | 35.4 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68 | -30.8 | 173.3 | -80 | -39.2 | 0 | 0 | 0 | 111.2 | L41 A44 I45 E107 V108 L109 S113 A114 L115 | L41-H111 HydrophobicContact CD2-CB 3.73Å; L41-H111 WeakPolarHBondContact CD2-O 3.31Å; L41-H111 HydrophobicContact CG-CB 3.84Å; A44-H111 PolarHBondContact O-NE2 3.15Å; I45-H111 HydrophobicContact CD1-CB 4.21Å; I45-H111 HydrophobicContact CG1-CB 3.72Å; I45-H111 WeakPolarHBondContact CG1-CD2 3.35Å; E107-H111 PolarHBondContact O-N 3.12Å; V108-H111 PolarHBondContact O-N 3.46Å; L109-H111 VanDerWaalsContact C-N 3.27Å; L109-H111 PolarHBondContact O-N 3.33Å; H111-S113 VanDerWaalsContact C-N 3.35Å; H111-A114 PolarHBondContact O-N 3.24Å; H111-L115 PolarHBondContact O-N 3.36Å; H111-L115 VanDerWaalsContact O-N 3.08Å |
| 112 | F | 45 | Very low | 41.6 | Very low | 39 Ų | 39 | 35 Ų | 35 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.1 | -31.9 | 171.2 | -80 | -74.6 | 0 | 0 | 0 | 112.7 | L41 I45 L87 V108 L109 L110 L115 E116 | L41-F112 HydrophobicContact CD2-CB 4.26Å; L41-F112 HydrophobicContact CD2-CD1 3.72Å; L41-F112 HydrophobicContact CD2-CD2 3.88Å; L41-F112 HydrophobicContact CD2-CE1 3.97Å; L41-F112 HydrophobicContact CD2-CE2 4.11Å; L41-F112 HydrophobicContact CD2-CG 3.66Å; L41-F112 HydrophobicContact CD2-CZ 4.15Å; I45-F112 HydrophobicContact CD1-CE2 4.49Å; L87-F112 HydrophobicContact CD1-CE2 4.39Å; L87-F112 HydrophobicContact CD1-CZ 4.46Å; V108-F112 HydrophobicContact CG1-CD2 3.88Å; V108-F112 HydrophobicContact CG1-CE2 3.54Å; V108-F112 WeakPolarHBondContact O-CD2 3.35Å; V108-F112 PolarHBondContact O-N 3Å; L109-F112 HydrophobicContact CD2-CD2 4.35Å; L109-F112 CarbonylContact O-C 3.55Å; L109-F112 VanDerWaalsContact O-CA 3.31Å; L109-F112 WeakPolarHBondContact O-CA 3.34Å; L109-F112 VanDerWaalsContact O-CB 3.26Å; L109-F112 WeakPolarHBondContact O-CB 3.47Å; L109-F112 PolarHBondContact O-N 3.27Å; L110-F112 VanDerWaalsContact C-N 3.26Å; L110-F112 PolarHBondContact O-N 2.92Å; F112-L115 HydrophobicContact CD1-CD1 3.7Å; F112-L115 HydrophobicContact CE1-CD1 4.05Å; F112-L115 CarbonylContact O-C 3.53Å; F112-L115 WeakPolarHBondContact O-CA 3.42Å; F112-L115 WeakPolarHBondContact O-CB 3.35Å; F112-L115 PolarHBondContact O-N 3.46Å; F112-E116 PolarHBondContact O-N 3.19Å |
| 113 | S | 40.5 | Very low | 40.8 | Very low | 30 Ų | 30 | 35.7 Ų | 35.7 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 173.2 | -27.7 | 0 | 0 | 0 | 0 | 112.8 | L70 L109 L110 H111 L115 E116 G117 | L70-S113 VanDerWaalsContact CD1-CA 3.49Å; L70-S113 WeakPolarHBondContact CD1-OG 3.23Å; L70-S113 VanDerWaalsContact CD2-OG 3.29Å; L70-S113 WeakPolarHBondContact CD2-OG 2.88Å; L109-S113 PolarHBondContact O-N 3.08Å; L109-S113 PolarHBondContact O-OG 3.41Å; L109-S113 VanDerWaalsContact O-OG 3.04Å; L110-S113 WeakPolarHBondContact CA-OG 3.48Å; L110-S113 WeakPolarHBondContact O-CB 3.1Å; L110-S113 PolarHBondContact O-N 3.07Å; L110-S113 PolarHBondContact O-OG 3.3Å; H111-S113 VanDerWaalsContact C-N 3.35Å; S113-L115 PolarHBondContact O-N 3.28Å; S113-E116 WeakPolarHBondContact O-CA 3.44Å; S113-E116 VanDerWaalsContact O-CB 3.25Å; S113-E116 WeakPolarHBondContact O-CB 3.23Å; S113-E116 PolarHBondContact O-N 2.81Å; S113-G117 PolarHBondContact O-N 2.91Å |
| 114 | A | 42.5 | Very low | 40.5 | Very low | 58 Ų | 58 | 42 Ų | 42 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -34.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L110 H111 E116 G117 L118 | L110-A114 PolarHBondContact O-N 3.34Å; H111-A114 PolarHBondContact O-N 3.24Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-G117 PolarHBondContact O-N 3.1Å; A114-L118 WeakPolarHBondContact O-CG 3.26Å; A114-L118 PolarHBondContact O-N 3.21Å |
| 115 | L | 39.1 | Very low | 40 | Very low | 17 Ų | 17 | 45.3 Ų | 45.3 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 169.5 | -130.7 | 177.5 | 0 | 0 | 0 | 111.8 | I37 L41 H111 F112 S113 L118 C119 | I37-L115 HydrophobicContact CB-CD2 3.94Å; I37-L115 HydrophobicContact CB-CG 4.48Å; I37-L115 HydrophobicContact CD1-CD2 4.19Å; I37-L115 HydrophobicContact CG2-CD1 3.87Å; I37-L115 HydrophobicContact CG2-CD2 3.19Å; I37-L115 HydrophobicContact CG2-CG 3.37Å; L41-L115 HydrophobicContact CB-CD1 4.38Å; L41-L115 HydrophobicContact CD1-CB 3.95Å; L41-L115 HydrophobicContact CD1-CD1 3.26Å; L41-L115 HydrophobicContact CD1-CG 3.36Å; L41-L115 HydrophobicContact CD2-CD1 3.56Å; L41-L115 HydrophobicContact CD2-CG 4.41Å; L41-L115 HydrophobicContact CG-CD1 3.86Å; L41-L115 HydrophobicContact CG-CG 4.43Å; H111-L115 PolarHBondContact O-N 3.36Å; H111-L115 VanDerWaalsContact O-N 3.08Å; F112-L115 HydrophobicContact CD1-CD1 3.7Å; F112-L115 HydrophobicContact CE1-CD1 4.05Å; F112-L115 CarbonylContact O-C 3.53Å; F112-L115 WeakPolarHBondContact O-CA 3.42Å; F112-L115 WeakPolarHBondContact O-CB 3.35Å; F112-L115 PolarHBondContact O-N 3.46Å; S113-L115 PolarHBondContact O-N 3.28Å; L115-L118 PolarHBondContact O-N 3.37Å; L115-C119 WeakPolarHBondContact O-CB 3.41Å; L115-C119 PolarHBondContact O-N 3.06Å; L115-C119 PolarHBondContact O-SG 2.97Å |
| 116 | E | 38 | Very low | 39.1 | Very low | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.5 | -165.3 | -160.8 | 150.4 | 0 | 0 | 111.5 | S73 I74 I78 F112 S113 A114 C119 K120 | S73-E116 VanDerWaalsContact O-OE1 3.08Å; I74-E116 HydrophobicContact CG1-CG 4.42Å; I74-E116 VanDerWaalsContact CG1-OE2 3.28Å; I74-E116 WeakPolarHBondContact CG1-OE2 3.33Å; I78-E116 HydrophobicContact CD1-CG 3.98Å; F112-E116 PolarHBondContact O-N 3.19Å; S113-E116 WeakPolarHBondContact O-CA 3.44Å; S113-E116 VanDerWaalsContact O-CB 3.25Å; S113-E116 WeakPolarHBondContact O-CB 3.23Å; S113-E116 PolarHBondContact O-N 2.81Å; A114-E116 VanDerWaalsContact C-N 3.32Å; E116-C119 CarbonylContact O-C 3.52Å; E116-C119 PolarHBondContact O-N 2.87Å; E116-K120 WeakPolarHBondContact O-CB 3.39Å; E116-K120 WeakPolarHBondContact O-CG 3.21Å; E116-K120 PolarHBondContact O-N 2.96Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 2.71Å; E116-K120 PolarHBondContact OE1-NZ 3.19Å |
| 117 | G | 39.8 | Very low | 38.5 | Very low | 48 Ų | 48 | 52.2 Ų | 52.2 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S113 A114 K120 G121 | S113-G117 PolarHBondContact O-N 2.91Å; A114-G117 PolarHBondContact O-N 3.1Å; G117-K120 PolarHBondContact O-N 3.19Å; G117-G121 PolarHBondContact O-N 3.46Å |
| 118 | L | 35.2 | Very low | 37.8 | Very low | 111 Ų | 111 | 56 Ų | 56 | 58% | 0.581 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 171.9 | -76 | 167.3 | 0 | 0 | 0 | 111.6 | A114 L115 G121 V122 | A114-L118 WeakPolarHBondContact O-CG 3.26Å; A114-L118 PolarHBondContact O-N 3.21Å; L115-L118 PolarHBondContact O-N 3.37Å; L118-G121 PolarHBondContact O-N 2.78Å; L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.15Å; L118-V122 PolarHBondContact O-N 3.45Å |
| 119 | C | 31.8 | Very low | 36.7 | Very low | 22 Ų | 22 | 63.7 Ų | 63.7 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 176.6 | -77.6 | 0 | 0 | 0 | 0 | 111.5 | I78 L115 E116 V122 F123 | I78-C119 HydrophobicContact CD1-CB 3.77Å; L115-C119 WeakPolarHBondContact O-CB 3.41Å; L115-C119 PolarHBondContact O-N 3.06Å; L115-C119 PolarHBondContact O-SG 2.97Å; E116-C119 CarbonylContact O-C 3.52Å; E116-C119 PolarHBondContact O-N 2.87Å; C119-V122 CarbonylContact O-C 3.51Å; C119-V122 PolarHBondContact O-N 2.68Å; C119-V122 VanDerWaalsContact O-N 3.14Å; C119-F123 VanDerWaalsContact C-CD2 3.47Å; C119-F123 HydrophobicContact CB-CD2 4.01Å; C119-F123 HydrophobicContact CB-CE2 3.77Å; C119-F123 WeakPolarHBondContact O-CB 2.94Å; C119-F123 WeakPolarHBondContact O-CD2 3.42Å; C119-F123 VanDerWaalsContact O-CG 3.31Å; C119-F123 WeakPolarHBondContact O-CG 2.77Å; C119-F123 PolarHBondContact O-N 3.29Å |
| 120 | K | 35.9 | Very low | 36.1 | Very low | 87 Ų | 87 | 67.3 Ų | 67.3 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 173.9 | -82 | 179.8 | 178.1 | 162.5 | 0 | 110.7 | E116 G117 V122 F123 E124 | E116-K120 WeakPolarHBondContact O-CB 3.39Å; E116-K120 WeakPolarHBondContact O-CG 3.21Å; E116-K120 PolarHBondContact O-N 2.96Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 2.71Å; E116-K120 PolarHBondContact OE1-NZ 3.19Å; G117-K120 PolarHBondContact O-N 3.19Å; K120-V122 VanDerWaalsContact C-N 3.27Å; K120-V122 PolarHBondContact O-N 3.32Å; K120-F123 PolarHBondContact O-N 3.11Å; K120-F123 VanDerWaalsContact O-N 3.13Å; K120-E124 WeakPolarHBondContact O-CB 3.33Å; K120-E124 WeakPolarHBondContact O-CG 3.42Å; K120-E124 PolarHBondContact O-N 2.81Å |
| 121 | G | 37.3 | Very low | 35.3 | Very low | 39 Ų | 39 | 71 Ų | 71 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G117 L118 A125 | G117-G121 PolarHBondContact O-N 3.46Å; L118-G121 PolarHBondContact O-N 2.78Å; G121-A125 WeakPolarHBondContact O-CB 3.41Å; G121-A125 PolarHBondContact O-N 3.07Å |
| 122 | V | 31.6 | Very low | 34.4 | Very low | 64 Ų | 64 | 81 Ų | 81 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73 | -36.8 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | L118 C119 K120 A125 D126 | L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.15Å; L118-V122 PolarHBondContact O-N 3.45Å; C119-V122 CarbonylContact O-C 3.51Å; C119-V122 PolarHBondContact O-N 2.68Å; C119-V122 VanDerWaalsContact O-N 3.14Å; K120-V122 VanDerWaalsContact C-N 3.27Å; K120-V122 PolarHBondContact O-N 3.32Å; V122-A125 PolarHBondContact O-N 3.43Å; V122-D126 WeakPolarHBondContact O-CB 3.48Å; V122-D126 PolarHBondContact O-N 3.47Å |
| 123 | F | 28.8 | Very low | 33.8 | Very low | 54 Ų | 54 | 83.1 Ų | 83.1 | 24% | 0.237 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -75.2 | -37.2 | 179.4 | -72.8 | -58.1 | 0 | 0 | 0 | 112.4 | I78 C119 K120 D126 G127 L128 | I78-F123 HydrophobicContact CD1-CE2 3.98Å; I78-F123 HydrophobicContact CG1-CE2 4.36Å; C119-F123 VanDerWaalsContact C-CD2 3.47Å; C119-F123 HydrophobicContact CB-CD2 4.01Å; C119-F123 HydrophobicContact CB-CE2 3.77Å; C119-F123 WeakPolarHBondContact O-CB 2.94Å; C119-F123 WeakPolarHBondContact O-CD2 3.42Å; C119-F123 VanDerWaalsContact O-CG 3.31Å; C119-F123 WeakPolarHBondContact O-CG 2.77Å; C119-F123 PolarHBondContact O-N 3.29Å; K120-F123 PolarHBondContact O-N 3.11Å; K120-F123 VanDerWaalsContact O-N 3.13Å; F123-D126 PolarHBondContact O-N 3.22Å; F123-G127 PolarHBondContact O-N 3.25Å; F123-G127 VanDerWaalsContact O-N 3.15Å; F123-L128 HydrophobicContact CD1-CB 4.48Å; F123-L128 HydrophobicContact CD1-CD1 4.15Å; F123-L128 PolarHBondContact O-N 3.19Å |
| 124 | E | 35.1 | Very low | 33.5 | Very low | 155 Ų | 155 | 85.8 Ų | 85.8 | 72% | 0.724 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 169.5 | -73.4 | 177.4 | 178.7 | 0 | 0 | 110.7 | K120 D126 G127 | K120-E124 WeakPolarHBondContact O-CB 3.33Å; K120-E124 WeakPolarHBondContact O-CG 3.42Å; K120-E124 PolarHBondContact O-N 2.81Å; E124-D126 VanDerWaalsContact C-N 3.35Å; E124-D126 PolarHBondContact O-N 3.06Å; E124-G127 PolarHBondContact O-N 3.1Å |
| 125 | A | 37.4 | Very low | 33 | Very low | 85 Ų | 85 | 87.4 Ų | 87.4 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67 | -32.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G121 V122 G127 | G121-A125 WeakPolarHBondContact O-CB 3.41Å; G121-A125 PolarHBondContact O-N 3.07Å; V122-A125 PolarHBondContact O-N 3.43Å; A125-G127 VanDerWaalsContact C-N 3.31Å |
| 126 | D | 30.4 | Very low | 32.6 | Very low | 86 Ų | 86 | 91.5 Ų | 91.5 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1.4 | 176.3 | -86.4 | -8.8 | 0 | 0 | 0 | 113.3 | R30 V122 F123 E124 L128 | R30-D126 IonicContact CZ-OD2 3.9Å; R30-D126 IonicContact NE-OD2 3.96Å; R30-D126 IonicContact NH2-OD2 2.92Å; R30-D126 PolarHBondContact NH2-OD2 3.47Å; V122-D126 WeakPolarHBondContact O-CB 3.48Å; V122-D126 PolarHBondContact O-N 3.47Å; F123-D126 PolarHBondContact O-N 3.22Å; E124-D126 VanDerWaalsContact C-N 3.35Å; E124-D126 PolarHBondContact O-N 3.06Å; D126-L128 PolarHBondContact O-N 3.33Å |
| 127 | G | 28.8 | Very low | 32.3 | Very low | 60 Ų | 60 | 96.5 Ų | 96.5 | 62% | 0.619 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.4 | 21.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F123 E124 A125 E129 | F123-G127 PolarHBondContact O-N 3.25Å; F123-G127 VanDerWaalsContact O-N 3.15Å; E124-G127 PolarHBondContact O-N 3.1Å; A125-G127 VanDerWaalsContact C-N 3.31Å; G127-E129 VanDerWaalsContact C-N 3.34Å; G127-E129 PolarHBondContact O-N 3.49Å |
| 128 | L | 29.9 | Very low | 31.8 | Very low | 89 Ų | 89 | 99.7 Ų | 99.7 | 47% | 0.466 | 57% | 0.573 | S | S | . | * | trans | -87.3 | 81.9 | 171 | -77.2 | 163.5 | 0 | 0 | 0 | 108.1 | F123 D126 A130 | F123-L128 HydrophobicContact CD1-CB 4.48Å; F123-L128 HydrophobicContact CD1-CD1 4.15Å; F123-L128 PolarHBondContact O-N 3.19Å; D126-L128 PolarHBondContact O-N 3.33Å; L128-A130 PolarHBondContact O-N 3.23Å | ||
| 129 | E | 28.8 | Very low | 31.5 | Very low | 179 Ų | 179 | 98.9 Ų | 98.9 | 84% | 0.836 | 57% | 0.572 | S | S | * | * | trans | -47.5 | 123.3 | 170.5 | -78.3 | -177.3 | 142.7 | 0 | 0 | 109.5 | G127 V131 | G127-E129 VanDerWaalsContact C-N 3.34Å; G127-E129 PolarHBondContact O-N 3.49Å; E129-V131 PolarHBondContact O-N 2.85Å | ||
| 130 | A | 32.6 | Very low | 31.5 | Very low | 81 Ų | 81 | 104.8 Ų | 104.8 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | trans | -53.2 | 113.2 | 172 | 0 | 0 | 0 | 0 | 0 | 108.3 | L128 H132 | L128-A130 PolarHBondContact O-N 3.23Å; A130-H132 PolarHBondContact O-N 3.33Å; A130-H132 VanDerWaalsContact O-N 3.13Å | ||
| 131 | V | 26.3 | Very low | 31.1 | Very low | 140 Ų | 140 | 106.3 Ų | 106.3 | 85% | 0.848 | 62% | 0.623 | S | S | * | * | trans | -66 | 112.6 | 167 | -180 | 0 | 0 | 0 | 0 | 105.7 | E129 | E129-V131 PolarHBondContact O-N 2.85Š| ||
| 132 | H | 26.6 | Very low | 30.6 | Very low | 244 Ų | 244 | 112.5 Ų | 112.5 | 100% | 1.13 | 64% | 0.644 | S | S | * | * | trans | -28.7 | 0 | 178.7 | -83.1 | 97.7 | 0 | 0 | 0 | 115.6 | A130 | A130-H132 PolarHBondContact O-N 3.33Å; A130-H132 VanDerWaalsContact O-N 3.13Å |
Retrieved 132 of 132 residues in 53.7 ms
(Link to these results)