| 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 | 44.6 | Very low | 70.9 | Confident | 229 Ų | 229 | 126.4 Ų | 126.4 | 100% | 1.128 | 69% | 0.693 | S | S | * | * | 0 | 113.6 | 0 | -68.1 | -164 | 168.1 | 0 | 0 | 106.1 | N3 | M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | S | 57.6 | Low | 71.6 | Confident | 114 Ų | 114 | 118.9 Ų | 118.9 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | trans | -64.5 | 112.5 | 178.9 | -72.4 | 0 | 0 | 0 | 0 | 109.1 | S4 | S2-S4 PolarHBondContact O-N 2.86Š| ||
| 3 | N | 51.4 | Low | 72.7 | Confident | 156 Ų | 156 | 118.4 Ų | 118.4 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | trans | -79.4 | 60.6 | 168.5 | -70.7 | -31.8 | 0 | 0 | 0 | 108.7 | M1 I5 | M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 VanDerWaalsContact O-N 3.12Å; N3-I5 PolarHBondContact O-N 3.45Å | ||
| 4 | S | 63 | Low | 73.6 | Confident | 99 Ų | 99 | 115.1 Ų | 115.1 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | trans | -76.2 | 110 | 171.8 | -67.5 | 0 | 0 | 0 | 0 | 107.7 | S2 P6 | S2-S4 PolarHBondContact O-N 2.86Å; S4-P6 WeakPolarHBondContact O-CD 3.49Å | ||
| 5 | I | 71.7 | Confident | 74 | Confident | 151 Ų | 151 | 112.1 Ų | 112.1 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 122.7 | 170.2 | -60.5 | 168.8 | 0 | 0 | 0 | 106.5 | N3 I7 | N3-I5 PolarHBondContact O-N 3.45Å; I5-I7 PolarHBondContact O-N 2.72Å |
| 6 | P | 75.8 | Confident | 74.4 | Confident | 112 Ų | 112 | 113.6 Ų | 113.6 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.9 | 177.2 | 22.5 | -30.3 | 0 | 0 | 0 | 109.2 | S4 P8 | S4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-P8 WeakPolarHBondContact O-CD 3.47Å |
| 7 | I | 75.9 | Confident | 74.9 | Confident | 123 Ų | 123 | 112.9 Ų | 112.9 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 123.9 | 175.2 | -58.7 | 175.8 | 0 | 0 | 0 | 107 | I5 E9 I11 A12 | I5-I7 PolarHBondContact O-N 2.72Å; I7-E9 PolarHBondContact O-N 3.22Å; I7-I11 HydrophobicContact CG2-CB 4.03Å; I7-I11 HydrophobicContact CG2-CG2 4.12Å; I7-A12 HydrophobicContact CG2-CB 4.34Å |
| 8 | P | 84.5 | Confident | 75.1 | Confident | 62 Ų | 62 | 113.2 Ų | 113.2 | 40% | 0.403 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 134.9 | 174 | -24.5 | 33.5 | 0 | 0 | 0 | 111.3 | P6 H10 I11 A12 | P6-P8 WeakPolarHBondContact O-CD 3.47Å; P8-H10 VanDerWaalsContact C-N 3.28Å; P8-H10 WeakPolarHBondContact CB-CE1 3.37Å; P8-H10 WeakPolarHBondContact CB-ND1 3.33Å; P8-H10 PolarHBondContact O-N 3.49Å; P8-I11 HydrophobicContact CB-CD1 4.3Å; P8-I11 HydrophobicContact CB-CG1 4.22Å; P8-I11 HydrophobicContact CG-CD1 4.03Å; P8-I11 HydrophobicContact CG-CG1 4.48Å; P8-I11 WeakPolarHBondContact O-CA 3.49Å; P8-I11 WeakPolarHBondContact O-CB 3.33Å; P8-I11 PolarHBondContact O-N 3.12Å; P8-A12 PolarHBondContact O-N 3.41Å |
| 9 | E | 84.4 | Confident | 75.1 | Confident | 151 Ų | 151 | 112.5 Ų | 112.5 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.8 | -41.1 | -172.1 | -164 | 164.5 | -153.3 | 0 | 0 | 112.8 | I7 I11 A12 E13 | I7-E9 PolarHBondContact O-N 3.22Å; E9-I11 VanDerWaalsContact C-N 3.26Å; E9-I11 PolarHBondContact O-N 3.22Å; E9-A12 WeakPolarHBondContact O-CB 3.47Å; E9-A12 PolarHBondContact O-N 3.02Å; E9-E13 WeakPolarHBondContact O-CG 3.49Å; E9-E13 PolarHBondContact O-N 3.29Å |
| 10 | H | 86.4 | Confident | 75.2 | Confident | 117 Ų | 117 | 109.8 Ų | 109.8 | 54% | 0.542 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.4 | -31.5 | 176.1 | 69.1 | -86.5 | 0 | 0 | 0 | 114 | P8 S14 | P8-H10 VanDerWaalsContact C-N 3.28Å; P8-H10 WeakPolarHBondContact CB-CE1 3.37Å; P8-H10 WeakPolarHBondContact CB-ND1 3.33Å; P8-H10 PolarHBondContact O-N 3.49Å; H10-S14 VanDerWaalsContact O-CB 3.32Å; H10-S14 WeakPolarHBondContact O-CB 3.37Å; H10-S14 PolarHBondContact O-N 2.97Å; H10-S14 PolarHBondContact O-OG 3.38Å |
| 11 | I | 84 | Confident | 75.3 | Confident | 76 Ų | 76 | 107 Ų | 107 | 39% | 0.39 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.2 | -43.7 | 175.3 | -58.5 | -174.8 | 0 | 0 | 0 | 109.1 | I7 P8 E9 E13 S14 V15 | I7-I11 HydrophobicContact CG2-CB 4.03Å; I7-I11 HydrophobicContact CG2-CG2 4.12Å; P8-I11 HydrophobicContact CB-CD1 4.3Å; P8-I11 HydrophobicContact CB-CG1 4.22Å; P8-I11 HydrophobicContact CG-CD1 4.03Å; P8-I11 HydrophobicContact CG-CG1 4.48Å; P8-I11 WeakPolarHBondContact O-CA 3.49Å; P8-I11 WeakPolarHBondContact O-CB 3.33Å; P8-I11 PolarHBondContact O-N 3.12Å; E9-I11 VanDerWaalsContact C-N 3.26Å; E9-I11 PolarHBondContact O-N 3.22Å; I11-E13 VanDerWaalsContact C-N 3.34Å; I11-E13 PolarHBondContact O-N 3.01Å; I11-S14 PolarHBondContact O-N 3.02Å; I11-V15 HydrophobicContact CG2-CG2 4.31Å; I11-V15 WeakPolarHBondContact O-CB 3.34Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.41Å; I11-V15 PolarHBondContact O-N 3.36Å |
| 12 | A | 80 | Confident | 76.6 | Confident | 37 Ų | 37 | 100.9 Ų | 100.9 | 31% | 0.306 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.9 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I7 P8 E9 V15 Q16 | I7-A12 HydrophobicContact CG2-CB 4.34Å; P8-A12 PolarHBondContact O-N 3.41Å; E9-A12 WeakPolarHBondContact O-CB 3.47Å; E9-A12 PolarHBondContact O-N 3.02Å; A12-V15 PolarHBondContact O-N 3.48Å; A12-Q16 WeakPolarHBondContact O-CG 3.29Å; A12-Q16 PolarHBondContact O-N 2.71Å |
| 13 | E | 85.8 | Confident | 77.1 | Confident | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.4 | -46.2 | 173.7 | -72.4 | 178.8 | 171.2 | 0 | 0 | 111.8 | E9 I11 V15 Q16 V17 | E9-E13 WeakPolarHBondContact O-CG 3.49Å; E9-E13 PolarHBondContact O-N 3.29Å; I11-E13 VanDerWaalsContact C-N 3.34Å; I11-E13 PolarHBondContact O-N 3.01Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 2.96Å; E13-Q16 PolarHBondContact O-N 3.29Å; E13-Q16 VanDerWaalsContact O-N 3.15Å; E13-V17 WeakPolarHBondContact O-CG2 3.35Å; E13-V17 PolarHBondContact O-N 2.96Å |
| 14 | S | 85.1 | Confident | 78 | Confident | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.2 | -41.5 | 178.1 | -64 | 0 | 0 | 0 | 0 | 112 | H10 I11 M18 | H10-S14 VanDerWaalsContact O-CB 3.32Å; H10-S14 WeakPolarHBondContact O-CB 3.37Å; H10-S14 PolarHBondContact O-N 2.97Å; H10-S14 PolarHBondContact O-OG 3.38Å; I11-S14 PolarHBondContact O-N 3.02Å; S14-M18 WeakPolarHBondContact O-CB 3.45Å; S14-M18 PolarHBondContact O-N 2.99Å |
| 15 | V | 79.4 | Confident | 78.2 | Confident | 70 Ų | 70 | 104.6 Ų | 104.6 | 42% | 0.424 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -41.3 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | I11 A12 E13 M18 L19 | I11-V15 HydrophobicContact CG2-CG2 4.31Å; I11-V15 WeakPolarHBondContact O-CB 3.34Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.41Å; I11-V15 PolarHBondContact O-N 3.36Å; A12-V15 PolarHBondContact O-N 3.48Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 2.96Å; V15-M18 PolarHBondContact O-N 3.03Å; V15-L19 HydrophobicContact CG1-CD1 3.82Å; V15-L19 HydrophobicContact CG1-CG 4.25Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 VanDerWaalsContact O-CG 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 3.18Å |
| 16 | Q | 80.5 | Confident | 77.4 | Confident | 135 Ų | 135 | 103 Ų | 103 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63 | -45 | 176.4 | -78.9 | -178.4 | 10.1 | 0 | 0 | 112.6 | A12 E13 M18 L19 A20 | A12-Q16 WeakPolarHBondContact O-CG 3.29Å; A12-Q16 PolarHBondContact O-N 2.71Å; E13-Q16 PolarHBondContact O-N 3.29Å; E13-Q16 VanDerWaalsContact O-N 3.15Å; Q16-M18 VanDerWaalsContact C-N 3.31Å; Q16-M18 PolarHBondContact O-N 3.32Å; Q16-L19 PolarHBondContact O-N 3.45Å; Q16-A20 WeakPolarHBondContact O-CB 3.45Å; Q16-A20 PolarHBondContact O-N 2.92Å |
| 17 | V | 83.9 | Confident | 76.4 | Confident | 103 Ų | 103 | 102.7 Ų | 102.7 | 62% | 0.624 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.2 | -41.5 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | E13 S21 | E13-V17 WeakPolarHBondContact O-CG2 3.35Å; E13-V17 PolarHBondContact O-N 2.96Å; V17-S21 WeakPolarHBondContact O-CB 3.36Å; V17-S21 PolarHBondContact O-N 3.4Å; V17-S21 PolarHBondContact O-OG 2.63Å |
| 18 | M | 77.6 | Confident | 75.5 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.7 | -45 | 175.2 | -171.5 | -175 | -59.8 | 0 | 0 | 111.8 | S14 V15 Q16 S21 L22 | S14-M18 WeakPolarHBondContact O-CB 3.45Å; S14-M18 PolarHBondContact O-N 2.99Å; V15-M18 PolarHBondContact O-N 3.03Å; Q16-M18 VanDerWaalsContact C-N 3.31Å; Q16-M18 PolarHBondContact O-N 3.32Å; M18-S21 WeakPolarHBondContact CA-OG 3.38Å; M18-S21 PolarHBondContact O-OG 2.86Å; M18-L22 HydrophobicContact CG-CD1 4.16Å; M18-L22 WeakPolarHBondContact O-CB 3.39Å; M18-L22 VanDerWaalsContact O-CG 3.27Å; M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 3.43Å |
| 19 | L | 75.7 | Confident | 74 | Confident | 101 Ų | 101 | 103.5 Ų | 103.5 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.5 | -43.6 | 178.5 | -73.1 | 171.2 | 0 | 0 | 0 | 111.9 | V15 Q16 L22 Q23 | V15-L19 HydrophobicContact CG1-CD1 3.82Å; V15-L19 HydrophobicContact CG1-CG 4.25Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 VanDerWaalsContact O-CG 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 3.18Å; Q16-L19 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 3.07Å; L19-Q23 VanDerWaalsContact O-CB 3.29Å; L19-Q23 WeakPolarHBondContact O-CB 3.5Å; L19-Q23 PolarHBondContact O-N 2.9Å |
| 20 | A | 77.1 | Confident | 72.4 | Confident | 57 Ų | 57 | 100.2 Ų | 100.2 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.7 | -46 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q16 L22 Q23 E24 | Q16-A20 WeakPolarHBondContact O-CB 3.45Å; Q16-A20 PolarHBondContact O-N 2.92Å; A20-L22 PolarHBondContact O-N 3.44Å; A20-Q23 PolarHBondContact O-N 2.86Å; A20-E24 PolarHBondContact O-N 3.34Å |
| 21 | S | 76.7 | Confident | 70.7 | Confident | 53 Ų | 53 | 104.3 Ų | 104.3 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.2 | -36.5 | 176.6 | 58 | 0 | 0 | 0 | 0 | 112.8 | V17 M18 N25 | V17-S21 WeakPolarHBondContact O-CB 3.36Å; V17-S21 PolarHBondContact O-N 3.4Å; V17-S21 PolarHBondContact O-OG 2.63Å; M18-S21 WeakPolarHBondContact CA-OG 3.38Å; M18-S21 PolarHBondContact O-OG 2.86Å; S21-N25 PolarHBondContact O-N 3.25Å; S21-N25 PolarHBondContact O-ND2 3.49Å |
| 22 | L | 71.4 | Confident | 69.2 | Low | 100 Ų | 100 | 103.4 Ų | 103.4 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -40.4 | 172.8 | -75 | 170.2 | 0 | 0 | 0 | 111.5 | M18 L19 A20 E24 N25 L26 | M18-L22 HydrophobicContact CG-CD1 4.16Å; M18-L22 WeakPolarHBondContact O-CB 3.39Å; M18-L22 VanDerWaalsContact O-CG 3.27Å; M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 3.43Å; L19-L22 PolarHBondContact O-N 3.07Å; A20-L22 PolarHBondContact O-N 3.44Å; L22-E24 VanDerWaalsContact C-N 3.35Å; L22-E24 PolarHBondContact O-N 2.94Å; L22-N25 CarbonylContact O-C 3.44Å; L22-N25 PolarHBondContact O-N 3.26Å; L22-N25 VanDerWaalsContact O-N 3.1Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.34Å |
| 23 | Q | 68 | Low | 68.1 | Low | 141 Ų | 141 | 108.9 Ų | 108.9 | 66% | 0.659 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -36.1 | -177.4 | -161.4 | 171.2 | 1.8 | 0 | 0 | 112.5 | L19 A20 N25 L26 | L19-Q23 VanDerWaalsContact O-CB 3.29Å; L19-Q23 WeakPolarHBondContact O-CB 3.5Å; L19-Q23 PolarHBondContact O-N 2.9Å; A20-Q23 PolarHBondContact O-N 2.86Å; Q23-N25 PolarHBondContact O-N 3.48Å; Q23-L26 HydrophobicContact CG-CD1 4.38Å; Q23-L26 PolarHBondContact O-N 2.87Å |
| 24 | E | 71.9 | Confident | 66.7 | Low | 174 Ų | 174 | 106.5 Ų | 106.5 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.9 | -27.5 | 173.1 | -130 | 179.1 | -179.7 | 0 | 0 | 112.8 | A20 L22 | A20-E24 PolarHBondContact O-N 3.34Å; L22-E24 VanDerWaalsContact C-N 3.35Å; L22-E24 PolarHBondContact O-N 2.94Å |
| 25 | N | 67.2 | Low | 65.4 | Low | 131 Ų | 131 | 107.7 Ų | 107.7 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 3.3 | -179.1 | -68.4 | -61.5 | 0 | 0 | 0 | 113.4 | S21 L22 Q23 | S21-N25 PolarHBondContact O-N 3.25Å; S21-N25 PolarHBondContact O-ND2 3.49Å; L22-N25 CarbonylContact O-C 3.44Å; L22-N25 PolarHBondContact O-N 3.26Å; L22-N25 VanDerWaalsContact O-N 3.1Å; Q23-N25 PolarHBondContact O-N 3.48Å |
| 26 | L | 53.9 | Low | 64.5 | Low | 118 Ų | 118 | 110.9 Ų | 110.9 | 62% | 0.618 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -69.6 | 129 | 176.2 | -83.8 | 169 | 0 | 0 | 0 | 108.8 | L22 Q23 A28 | L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.34Å; Q23-L26 HydrophobicContact CG-CD1 4.38Å; Q23-L26 PolarHBondContact O-N 2.87Å; L26-A28 PolarHBondContact O-N 3.02Å |
| 27 | P | 55.4 | Low | 63.5 | Low | 105 Ų | 105 | 111.3 Ų | 111.3 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 143.7 | 172.4 | 24.5 | -31.4 | 0 | 0 | 0 | 109.3 | ||
| 28 | A | 57.4 | Low | 62.7 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 71% | 0.711 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 140 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | L26 | L26-A28 PolarHBondContact O-N 3.02Š|
| 29 | P | 51.7 | Low | 62.5 | Low | 116 Ų | 116 | 105 Ų | 105 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -55 | 135.5 | 173.9 | 22.2 | -30.2 | 0 | 0 | 0 | 108.3 | E31 | P29-E31 PolarHBondContact O-N 3.43Š|
| 30 | P | 52.1 | Low | 62.3 | Low | 82 Ų | 82 | 106.4 Ų | 106.4 | 53% | 0.532 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 138 | 178.9 | 22.1 | -31.4 | 0 | 0 | 0 | 109.7 | G32 L34 | P30-G32 PolarHBondContact O-N 3.43Å; P30-L34 HydrophobicContact CG-CD1 4.12Å; P30-L34 HydrophobicContact CG-CD2 4.16Å; P30-L34 HydrophobicContact CG-CG 4.12Å |
| 31 | E | 49.8 | Very low | 62.2 | Low | 204 Ų | 204 | 110 Ų | 110 | 95% | 0.953 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -66.4 | 118.8 | 169.1 | -74 | -175.6 | 174.2 | 0 | 0 | 108.4 | P29 | P29-E31 PolarHBondContact O-N 3.43Š|
| 32 | G | 52.6 | Low | 62.3 | Low | 57 Ų | 57 | 108 Ų | 108 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 131.4 | 126.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | P30 L34 | P30-G32 PolarHBondContact O-N 3.43Å; G32-L34 VanDerWaalsContact C-N 3.35Å; G32-L34 PolarHBondContact O-N 3.01Å |
| 33 | D | 56 | Low | 62.6 | Low | 151 Ų | 151 | 107.7 Ų | 107.7 | 81% | 0.807 | 59% | 0.591 | S | S | * | * | trans | -55.6 | 106.8 | 167.8 | -72.3 | -29.6 | 0 | 0 | 0 | 106.2 | L35 | D33-L35 PolarHBondContact O-N 2.91Š| ||
| 34 | L | 56.4 | Low | 63 | Low | 62 Ų | 62 | 103.1 Ų | 103.1 | 33% | 0.325 | 57% | 0.574 | S | S | . | * | trans | -57.1 | 100.2 | 162.3 | -72.6 | 173.3 | 0 | 0 | 0 | 104 | P30 G32 E36 L39 L78 | P30-L34 HydrophobicContact CG-CD1 4.12Å; P30-L34 HydrophobicContact CG-CD2 4.16Å; P30-L34 HydrophobicContact CG-CG 4.12Å; G32-L34 VanDerWaalsContact C-N 3.35Å; G32-L34 PolarHBondContact O-N 3.01Å; L34-E36 PolarHBondContact O-N 3.3Å; L34-E36 VanDerWaalsContact O-N 3.16Å; L34-L39 HydrophobicContact CB-CD1 4.27Å; L34-L78 HydrophobicContact CD2-CD2 3.84Å | ||
| 35 | L | 59.7 | Low | 63.1 | Low | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | trans | -57.8 | 128.6 | 179.4 | -66.5 | 174.7 | 0 | 0 | 0 | 105.4 | D33 E37 D38 | D33-L35 PolarHBondContact O-N 2.91Å; L35-E37 HydrophobicContact CB-CB 4.34Å; L35-E37 PolarHBondContact O-N 3.07Å; L35-D38 WeakPolarHBondContact O-CB 3.42Å; L35-D38 PolarHBondContact O-N 3.29Å | ||
| 36 | E | 59.3 | Low | 63.7 | Low | 138 Ų | 138 | 94.4 Ų | 94.4 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -50.2 | -29.1 | 177.1 | -70.7 | -178.8 | 157.1 | 0 | 0 | 111.1 | L34 D38 L39 H40 | L34-E36 PolarHBondContact O-N 3.3Å; L34-E36 VanDerWaalsContact O-N 3.16Å; E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.4Å; E36-L39 WeakPolarHBondContact O-CB 3.48Å; E36-L39 PolarHBondContact O-N 3.35Å; E36-L39 VanDerWaalsContact O-N 3.12Å; E36-H40 PolarHBondContact O-CD2 3.07Å; E36-H40 PolarHBondContact O-N 3Å |
| 37 | E | 59.4 | Low | 65 | Low | 143 Ų | 143 | 93.6 Ų | 93.6 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.4 | -38.4 | 174.2 | -158.8 | 165.6 | -157.5 | 0 | 0 | 113.6 | L35 N41 | L35-E37 HydrophobicContact CB-CB 4.34Å; L35-E37 PolarHBondContact O-N 3.07Å; E37-N41 PolarHBondContact O-ND2 2.98Å; E37-N41 VanDerWaalsContact O-ND2 3.09Å |
| 38 | D | 67.6 | Low | 66.4 | Low | 84 Ų | 84 | 93.5 Ų | 93.5 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 176 | -70 | -27.9 | 0 | 0 | 0 | 110.8 | L35 E36 N41 V42 L78 | L35-D38 WeakPolarHBondContact O-CB 3.42Å; L35-D38 PolarHBondContact O-N 3.29Å; E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.4Å; D38-N41 PolarHBondContact O-N 3.31Å; D38-V42 WeakPolarHBondContact O-CG2 3.42Å; D38-L78 HydrophobicContact CB-CD2 4.41Å |
| 39 | L | 72.2 | Confident | 67.6 | Low | 4 Ų | 4 | 90 Ų | 90 | 2% | 0.021 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 179.6 | -88.4 | 144.4 | 0 | 0 | 0 | 113.1 | L34 E36 N41 V42 Y71 R74 C75 L78 | L34-L39 HydrophobicContact CB-CD1 4.27Å; E36-L39 WeakPolarHBondContact O-CB 3.48Å; E36-L39 PolarHBondContact O-N 3.35Å; E36-L39 VanDerWaalsContact O-N 3.12Å; L39-N41 PolarHBondContact O-N 3.18Å; L39-V42 PolarHBondContact O-N 3.35Å; L39-V42 VanDerWaalsContact O-N 3.14Å; L39-Y71 HydrophobicContact CD1-CE2 3.95Å; L39-R74 HydrophobicContact CD2-CB 3.59Å; L39-C75 HydrophobicContact CD2-CB 4.33Å; L39-C75 VanDerWaalsContact CD2-SG 3.59Å; L39-L78 HydrophobicContact CD2-CD2 4.4Å; L39-L78 HydrophobicContact CG-CD2 3.95Å |
| 40 | H | 71.6 | Confident | 69.1 | Low | 131 Ų | 131 | 88.9 Ų | 88.9 | 61% | 0.606 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -31.6 | 179.7 | -86.4 | -71.9 | 0 | 0 | 0 | 113.1 | E36 | E36-H40 PolarHBondContact O-CD2 3.07Å; E36-H40 PolarHBondContact O-N 3Å |
| 41 | N | 76.1 | Confident | 70.6 | Confident | 132 Ų | 132 | 89.9 Ų | 89.9 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.1 | -179.1 | -65.7 | -51.4 | 0 | 0 | 0 | 113.5 | E37 D38 L39 P43 | E37-N41 PolarHBondContact O-ND2 2.98Å; E37-N41 VanDerWaalsContact O-ND2 3.09Å; D38-N41 PolarHBondContact O-N 3.31Å; L39-N41 PolarHBondContact O-N 3.18Å; N41-P43 WeakPolarHBondContact O-CD 3.46Å |
| 42 | V | 78.5 | Confident | 72.1 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 6% | 0.061 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -88.8 | 107.8 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | D38 L39 R77 L78 | D38-V42 WeakPolarHBondContact O-CG2 3.42Å; L39-V42 PolarHBondContact O-N 3.35Å; L39-V42 VanDerWaalsContact O-N 3.14Å; V42-R77 HydrophobicContact CG1-CB 3.66Å; V42-R77 HydrophobicContact CG1-CG 3.38Å; V42-L78 HydrophobicContact CG2-CB 4.21Å; V42-L78 HydrophobicContact CG2-CD1 3.97Å; V42-L78 HydrophobicContact CG2-CG 4.5Å |
| 43 | P | 78 | Confident | 73.4 | Confident | 94 Ų | 94 | 82.3 Ų | 82.3 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | trans | -64.7 | 126.6 | 173.8 | 25.9 | -32.3 | 0 | 0 | 0 | 108.6 | N41 N45 | N41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-N45 PolarHBondContact O-N 3.27Å | ||
| 44 | P | 75.8 | Confident | 74.6 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | trans | -65.5 | 126.7 | 175.8 | 28 | -33.2 | 0 | 0 | 0 | 108.5 | L49 R74 | P44-L49 HydrophobicContact CB-CD2 3.38Å; P44-L49 HydrophobicContact CG-CD2 3.48Å; P44-L49 VanDerWaalsContact CG-CD2 3.48Å; P44-R74 HydrophobicContact CB-CG 4.08Å | ||
| 45 | N | 75.5 | Confident | 75.6 | Confident | 107 Ų | 107 | 80.4 Ų | 80.4 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | trans | -113.3 | 63.3 | 173.8 | -169.3 | 22.4 | 0 | 0 | 0 | 108.9 | P43 | P43-N45 PolarHBondContact O-N 3.27Š| ||
| 46 | D | 79.5 | Confident | 76.3 | Confident | 15 Ų | 15 | 80.4 Ų | 80.4 | 8% | 0.08 | 45% | 0.453 | C | S | . | . | trans | -118.9 | 114.7 | 179.4 | -161.7 | -37.6 | 0 | 0 | 0 | 110.3 | L48 L49 T50 S73 R76 | D46-L48 PolarHBondContact O-N 2.97Å; D46-L48 WeakPolarHBondContact OD1-CA 3.24Å; D46-L48 VanDerWaalsContact OD1-CB 3.27Å; D46-L48 WeakPolarHBondContact OD1-CB 3.5Å; D46-L48 PolarHBondContact OD1-N 3.33Å; D46-L49 HydrophobicContact CB-CB 3.81Å; D46-L49 PolarHBondContact O-N 2.97Å; D46-L49 VanDerWaalsContact O-N 3.15Å; D46-T50 PolarHBondContact O-N 2.97Å; D46-T50 VanDerWaalsContact O-N 3.07Å; D46-T50 PolarHBondContact O-OG1 2.69Å; D46-T50 VanDerWaalsContact O-OG1 3.14Å; D46-S73 PolarHBondContact OD2-OG 3.39Å; D46-R76 VanDerWaalsContact CB-NH2 3.3Å; D46-R76 IonicContact OD1-NH2 3.96Å; D46-R76 IonicContact OD2-CZ 3.51Å; D46-R76 IonicContact OD2-NE 3.73Å; D46-R76 IonicContact OD2-NH2 2.65Å; D46-R76 PolarHBondContact OD2-NH2 2.72Å | ||
| 47 | P | 81.2 | Confident | 76.9 | Confident | 101 Ų | 101 | 75.4 Ų | 75.4 | 66% | 0.656 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.2 | -33.3 | 174.1 | -24.5 | 34.4 | 0 | 0 | 0 | 113 | T50 L51 | P47-T50 WeakPolarHBondContact O-CB 3.35Å; P47-T50 PolarHBondContact O-N 2.86Å; P47-L51 PolarHBondContact O-N 2.82Å |
| 48 | L | 83.1 | Confident | 77.6 | Confident | 103 Ų | 103 | 76.6 Ų | 76.6 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 177 | -63.8 | 176.2 | 0 | 0 | 0 | 111.2 | D46 T50 L51 I52 F69 | D46-L48 PolarHBondContact O-N 2.97Å; D46-L48 WeakPolarHBondContact OD1-CA 3.24Å; D46-L48 VanDerWaalsContact OD1-CB 3.27Å; D46-L48 WeakPolarHBondContact OD1-CB 3.5Å; D46-L48 PolarHBondContact OD1-N 3.33Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.29Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 2.85Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L48-I52 WeakPolarHBondContact O-CG2 3.33Å; L48-I52 PolarHBondContact O-N 3Å; L48-F69 HydrophobicContact CB-CE1 3.99Å; L48-F69 HydrophobicContact CB-CZ 3.65Å; L48-F69 HydrophobicContact CD1-CZ 4.23Å |
| 49 | L | 84.2 | Confident | 78 | Confident | 11 Ų | 11 | 76.8 Ų | 76.8 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.3 | -179.1 | 65.5 | 0 | 0 | 0 | 110.2 | P44 D46 L51 I52 T53 F69 N70 | P44-L49 HydrophobicContact CB-CD2 3.38Å; P44-L49 HydrophobicContact CG-CD2 3.48Å; P44-L49 VanDerWaalsContact CG-CD2 3.48Å; D46-L49 HydrophobicContact CB-CB 3.81Å; D46-L49 PolarHBondContact O-N 2.97Å; D46-L49 VanDerWaalsContact O-N 3.15Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.31Å; L49-I52 HydrophobicContact CD1-CD1 4.05Å; L49-I52 HydrophobicContact CD1-CG1 4.18Å; L49-I52 WeakPolarHBondContact O-CG1 3.42Å; L49-I52 PolarHBondContact O-N 3.43Å; L49-T53 HydrophobicContact CD1-CG2 3.75Å; L49-T53 HydrophobicContact CG-CG2 4.24Å; L49-T53 WeakPolarHBondContact O-CB 3.39Å; L49-T53 WeakPolarHBondContact O-CG2 3.42Å; L49-T53 PolarHBondContact O-N 2.99Å; L49-T53 PolarHBondContact O-OG1 3.17Å; L49-F69 HydrophobicContact CB-CD1 3.98Å; L49-F69 HydrophobicContact CB-CE1 3.86Å; L49-F69 HydrophobicContact CD1-CD1 3.85Å; L49-F69 HydrophobicContact CG-CD1 4.5Å; L49-N70 HydrophobicContact CD1-CB 3.83Å; L49-N70 HydrophobicContact CD2-CB 4.13Å |
| 50 | T | 83.5 | Confident | 78.4 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 176.7 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | D46 P47 L48 S54 | D46-T50 PolarHBondContact O-N 2.97Å; D46-T50 VanDerWaalsContact O-N 3.07Å; D46-T50 PolarHBondContact O-OG1 2.69Å; D46-T50 VanDerWaalsContact O-OG1 3.14Å; P47-T50 WeakPolarHBondContact O-CB 3.35Å; P47-T50 PolarHBondContact O-N 2.86Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.29Å; T50-S54 WeakPolarHBondContact O-CB 3.36Å; T50-S54 PolarHBondContact O-N 3.04Å |
| 51 | L | 82.3 | Confident | 78.7 | Confident | 103 Ų | 103 | 81.2 Ų | 81.2 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 178.3 | -173.4 | 71.3 | 0 | 0 | 0 | 111.9 | P47 L48 L49 S54 S57 | P47-L51 PolarHBondContact O-N 2.82Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 2.85Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.31Å; L51-S54 PolarHBondContact O-N 3.38Å; L51-S57 VanDerWaalsContact O-CB 3.25Å; L51-S57 WeakPolarHBondContact O-CB 3.44Å; L51-S57 PolarHBondContact O-OG 2.89Å |
| 52 | I | 80.7 | Confident | 79.3 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 13% | 0.128 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -75.8 | -23.4 | -176.8 | 69.7 | 177.9 | 0 | 0 | 0 | 113.4 | L48 L49 L59 L61 F65 F69 | L48-I52 WeakPolarHBondContact O-CG2 3.33Å; L48-I52 PolarHBondContact O-N 3Å; L49-I52 HydrophobicContact CD1-CD1 4.05Å; L49-I52 HydrophobicContact CD1-CG1 4.18Å; L49-I52 WeakPolarHBondContact O-CG1 3.42Å; L49-I52 PolarHBondContact O-N 3.43Å; I52-L59 HydrophobicContact CG2-CD1 4.09Å; I52-L61 HydrophobicContact CB-CD1 3.92Å; I52-L61 HydrophobicContact CG2-CD1 3.94Å; I52-F65 HydrophobicContact CD1-CE1 4.31Å; I52-F69 HydrophobicContact CD1-CB 3.87Å; I52-F69 HydrophobicContact CD1-CD1 3.53Å; I52-F69 HydrophobicContact CD1-CD2 4.43Å; I52-F69 HydrophobicContact CD1-CE1 4.23Å; I52-F69 HydrophobicContact CD1-CG 3.67Å |
| 53 | T | 80.3 | Confident | 79.6 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -94.5 | -7.4 | 177 | 57 | 0 | 0 | 0 | 0 | 113 | L49 V66 | L49-T53 HydrophobicContact CD1-CG2 3.75Å; L49-T53 HydrophobicContact CG-CG2 4.24Å; L49-T53 WeakPolarHBondContact O-CB 3.39Å; L49-T53 WeakPolarHBondContact O-CG2 3.42Å; L49-T53 PolarHBondContact O-N 2.99Å; L49-T53 PolarHBondContact O-OG1 3.17Å; T53-V66 HydrophobicContact CG2-CG1 3.66Å |
| 54 | S | 81.8 | Confident | 79.8 | Confident | 35 Ų | 35 | 83.2 Ų | 83.2 | 25% | 0.245 | 48% | 0.483 | C | S | . | . | trans | -65.6 | 131.3 | 179.4 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | T50 L51 S56 S57 | T50-S54 WeakPolarHBondContact O-CB 3.36Å; T50-S54 PolarHBondContact O-N 3.04Å; L51-S54 PolarHBondContact O-N 3.38Å; S54-S56 PolarHBondContact O-N 3.2Å; S54-S56 VanDerWaalsContact O-N 3.12Å; S54-S56 PolarHBondContact OG-N 3Å; S54-S56 PolarHBondContact OG-OG 3.4Å; S54-S57 WeakPolarHBondContact O-CB 3.17Å; S54-S57 PolarHBondContact O-N 3.3Å; S54-S57 PolarHBondContact O-OG 3.5Å | ||
| 55 | P | 76.8 | Confident | 80.2 | Confident | 138 Ų | 138 | 85.7 Ų | 85.7 | 90% | 0.896 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.8 | 176.6 | 26.1 | -33.6 | 0 | 0 | 0 | 113.1 | ||
| 56 | S | 75.2 | Confident | 80.6 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 69% | 0.685 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.9 | 174 | 59 | 0 | 0 | 0 | 0 | 113.9 | S54 | S54-S56 PolarHBondContact O-N 3.2Å; S54-S56 VanDerWaalsContact O-N 3.12Å; S54-S56 PolarHBondContact OG-N 3Å; S54-S56 PolarHBondContact OG-OG 3.4Å |
| 57 | S | 72.1 | Confident | 80.8 | Confident | 33 Ų | 33 | 87.7 Ų | 87.7 | 23% | 0.231 | 50% | 0.498 | C | S | . | . | trans | -77.6 | 132 | 177.7 | 72.9 | 0 | 0 | 0 | 0 | 110.1 | L51 S54 L59 | L51-S57 VanDerWaalsContact O-CB 3.25Å; L51-S57 WeakPolarHBondContact O-CB 3.44Å; L51-S57 PolarHBondContact O-OG 2.89Å; S54-S57 WeakPolarHBondContact O-CB 3.17Å; S54-S57 PolarHBondContact O-N 3.3Å; S54-S57 PolarHBondContact O-OG 3.5Å; S57-L59 PolarHBondContact O-N 3.11Å | ||
| 58 | N | 74.2 | Confident | 80.8 | Confident | 169 Ų | 169 | 85.8 Ų | 85.8 | 90% | 0.904 | 49% | 0.49 | S | S | * | . | trans | -82.9 | 23.7 | 173.2 | -66 | -46.1 | 0 | 0 | 0 | 111.7 | D60 | N58-D60 PolarHBondContact O-N 3.21Š| ||
| 59 | L | 75.6 | Confident | 80.9 | Confident | 87 Ų | 87 | 83.3 Ų | 83.3 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | trans | -90.1 | 99.4 | -175.4 | -71.8 | 171 | 0 | 0 | 0 | 108.6 | I52 S57 L61 | I52-L59 HydrophobicContact CG2-CD1 4.09Å; S57-L59 PolarHBondContact O-N 3.11Å; L59-L61 VanDerWaalsContact C-N 3.3Å; L59-L61 HydrophobicContact CB-CD1 4Å; L59-L61 HydrophobicContact CB-CG 4.09Å; L59-L61 HydrophobicContact CD1-CD1 4.44Å; L59-L61 PolarHBondContact O-N 3.37Å | ||
| 60 | D | 80.5 | Confident | 80.9 | Confident | 167 Ų | 167 | 84.8 Ų | 84.8 | 89% | 0.893 | 48% | 0.483 | S | S | * | . | trans | -78 | 81.8 | 172.1 | -169.7 | 25.7 | 0 | 0 | 0 | 109.2 | N58 | N58-D60 PolarHBondContact O-N 3.21Š| ||
| 61 | L | 78.8 | Confident | 81 | Confident | 62 Ų | 62 | 86.1 Ų | 86.1 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | trans | -105 | 141.4 | -178.1 | -67.2 | 169.7 | 0 | 0 | 0 | 110.9 | I52 L59 F65 V66 | I52-L61 HydrophobicContact CB-CD1 3.92Å; I52-L61 HydrophobicContact CG2-CD1 3.94Å; L59-L61 VanDerWaalsContact C-N 3.3Å; L59-L61 HydrophobicContact CB-CD1 4Å; L59-L61 HydrophobicContact CB-CG 4.09Å; L59-L61 HydrophobicContact CD1-CD1 4.44Å; L59-L61 PolarHBondContact O-N 3.37Å; L61-F65 HydrophobicContact CB-CD1 4.28Å; L61-F65 HydrophobicContact CD1-CD1 4.04Å; L61-F65 HydrophobicContact CD1-CE1 3.97Å; L61-F65 HydrophobicContact CD2-CD1 4.22Å; L61-F65 HydrophobicContact CD2-CE1 4.34Å; L61-F65 HydrophobicContact CG-CD1 4.41Å; L61-V66 HydrophobicContact CB-CG2 4.24Å | ||
| 62 | P | 86.9 | Confident | 81.1 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 51% | 0.506 | 47% | 0.474 | S | S | . | . | trans | -57.6 | 145 | 173.3 | -22.6 | 32.9 | 0 | 0 | 0 | 112.2 | E64 F65 V66 | P62-E64 VanDerWaalsContact C-N 3.26Å; P62-E64 PolarHBondContact O-N 3.49Å; P62-F65 HydrophobicContact CB-CB 4.38Å; P62-F65 WeakPolarHBondContact O-CB 3.36Å; P62-F65 PolarHBondContact O-N 2.81Å; P62-F65 VanDerWaalsContact O-N 3.09Å; P62-V66 PolarHBondContact O-N 3.07Å | ||
| 63 | S | 85 | Confident | 81.3 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.9 | -40.4 | 177.7 | 35.7 | 0 | 0 | 0 | 0 | 112.2 | F65 V66 E67 | S63-F65 PolarHBondContact O-N 3.46Å; S63-V66 PolarHBondContact O-N 3.33Å; S63-V66 VanDerWaalsContact O-N 3.12Å; S63-E67 WeakPolarHBondContact O-CG 3.46Å; S63-E67 PolarHBondContact O-N 3.47Å |
| 64 | E | 82.6 | Confident | 81.6 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.8 | -34 | 179.9 | -58.8 | 78.2 | -172.8 | 0 | 0 | 111.3 | P62 A68 | P62-E64 VanDerWaalsContact C-N 3.26Å; P62-E64 PolarHBondContact O-N 3.49Å; E64-A68 VanDerWaalsContact O-CB 3.26Å; E64-A68 WeakPolarHBondContact O-CB 3.35Å; E64-A68 PolarHBondContact O-N 3.25Å |
| 65 | F | 84.1 | Confident | 81.7 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 175.2 | 177.4 | -90.9 | 0 | 0 | 0 | 111.1 | I52 L61 P62 S63 E67 A68 F69 | I52-F65 HydrophobicContact CD1-CE1 4.31Å; L61-F65 HydrophobicContact CB-CD1 4.28Å; L61-F65 HydrophobicContact CD1-CD1 4.04Å; L61-F65 HydrophobicContact CD1-CE1 3.97Å; L61-F65 HydrophobicContact CD2-CD1 4.22Å; L61-F65 HydrophobicContact CD2-CE1 4.34Å; L61-F65 HydrophobicContact CG-CD1 4.41Å; P62-F65 HydrophobicContact CB-CB 4.38Å; P62-F65 WeakPolarHBondContact O-CB 3.36Å; P62-F65 PolarHBondContact O-N 2.81Å; P62-F65 VanDerWaalsContact O-N 3.09Å; S63-F65 PolarHBondContact O-N 3.46Å; F65-E67 VanDerWaalsContact C-N 3.31Å; F65-E67 PolarHBondContact O-N 2.95Å; F65-A68 PolarHBondContact O-N 3.04Å; F65-F69 HydrophobicContact CZ-CD2 4.38Å; F65-F69 VanDerWaalsContact O-CB 3.3Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.3Å |
| 66 | V | 84 | Confident | 82 | Confident | 36 Ų | 36 | 79.8 Ų | 79.8 | 22% | 0.218 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | T53 L61 P62 S63 F69 N70 | T53-V66 HydrophobicContact CG2-CG1 3.66Å; L61-V66 HydrophobicContact CB-CG2 4.24Å; P62-V66 PolarHBondContact O-N 3.07Å; S63-V66 PolarHBondContact O-N 3.33Å; S63-V66 VanDerWaalsContact O-N 3.12Å; V66-F69 PolarHBondContact O-N 3.19Å; V66-N70 VanDerWaalsContact O-CB 3.26Å; V66-N70 WeakPolarHBondContact O-CB 3.36Å; V66-N70 PolarHBondContact O-N 3.46Å |
| 67 | E | 83.9 | Confident | 82.4 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 60% | 0.598 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.6 | -49 | 175.7 | -73.8 | 175.1 | -173.3 | 0 | 0 | 111.8 | S63 F65 F69 N70 Y71 | S63-E67 WeakPolarHBondContact O-CG 3.46Å; S63-E67 PolarHBondContact O-N 3.47Å; F65-E67 VanDerWaalsContact C-N 3.31Å; F65-E67 PolarHBondContact O-N 2.95Å; E67-F69 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 2.9Å; E67-N70 PolarHBondContact O-N 3.32Å; E67-Y71 WeakPolarHBondContact O-CB 3.46Å; E67-Y71 PolarHBondContact O-N 3.47Å |
| 68 | A | 82.3 | Confident | 83 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | E64 F65 Y71 A72 | E64-A68 VanDerWaalsContact O-CB 3.26Å; E64-A68 WeakPolarHBondContact O-CB 3.35Å; E64-A68 PolarHBondContact O-N 3.25Å; F65-A68 PolarHBondContact O-N 3.04Å; A68-Y71 PolarHBondContact O-N 2.91Å; A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 3.08Å |
| 69 | F | 85 | Confident | 83.4 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 23% | 0.228 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 177.4 | -166.8 | -83.7 | 0 | 0 | 0 | 111.8 | L48 L49 I52 F65 V66 E67 A72 S73 | L48-F69 HydrophobicContact CB-CE1 3.99Å; L48-F69 HydrophobicContact CB-CZ 3.65Å; L48-F69 HydrophobicContact CD1-CZ 4.23Å; L49-F69 HydrophobicContact CB-CD1 3.98Å; L49-F69 HydrophobicContact CB-CE1 3.86Å; L49-F69 HydrophobicContact CD1-CD1 3.85Å; L49-F69 HydrophobicContact CG-CD1 4.5Å; I52-F69 HydrophobicContact CD1-CB 3.87Å; I52-F69 HydrophobicContact CD1-CD1 3.53Å; I52-F69 HydrophobicContact CD1-CD2 4.43Å; I52-F69 HydrophobicContact CD1-CE1 4.23Å; I52-F69 HydrophobicContact CD1-CG 3.67Å; F65-F69 HydrophobicContact CZ-CD2 4.38Å; F65-F69 VanDerWaalsContact O-CB 3.3Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.3Å; V66-F69 PolarHBondContact O-N 3.19Å; E67-F69 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 2.9Å; F69-A72 PolarHBondContact O-N 3.27Å; F69-S73 WeakPolarHBondContact CE1-OG 3.46Å; F69-S73 VanDerWaalsContact O-CB 3.3Å; F69-S73 WeakPolarHBondContact O-CB 3.39Å; F69-S73 PolarHBondContact O-N 3.03Å; F69-S73 PolarHBondContact O-OG 2.83Å |
| 70 | N | 84.4 | Confident | 83.7 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 23% | 0.225 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -47.8 | 174 | -178.6 | 12 | 0 | 0 | 0 | 110.9 | L49 V66 E67 A72 S73 R74 | L49-N70 HydrophobicContact CD1-CB 3.83Å; L49-N70 HydrophobicContact CD2-CB 4.13Å; V66-N70 VanDerWaalsContact O-CB 3.26Å; V66-N70 WeakPolarHBondContact O-CB 3.36Å; V66-N70 PolarHBondContact O-N 3.46Å; E67-N70 PolarHBondContact O-N 3.32Å; N70-A72 PolarHBondContact O-N 3.09Å; N70-S73 WeakPolarHBondContact O-CB 3.35Å; N70-S73 PolarHBondContact O-N 3.49Å; N70-R74 WeakPolarHBondContact O-CG 3.38Å; N70-R74 PolarHBondContact O-N 3.16Å; N70-R74 PolarHBondContact OD1-NE 3.11Å |
| 71 | Y | 85.2 | Confident | 83.8 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.6 | -52.3 | 175.8 | -178.1 | -97.4 | 0 | 0 | 0 | 111.5 | L39 E67 A68 S73 R74 C75 | L39-Y71 HydrophobicContact CD1-CE2 3.95Å; E67-Y71 WeakPolarHBondContact O-CB 3.46Å; E67-Y71 PolarHBondContact O-N 3.47Å; A68-Y71 PolarHBondContact O-N 2.91Å; Y71-S73 VanDerWaalsContact C-N 3.29Å; Y71-S73 PolarHBondContact O-N 3.02Å; Y71-R74 WeakPolarHBondContact O-CB 3.4Å; Y71-R74 PolarHBondContact O-N 3.4Å; Y71-R74 VanDerWaalsContact O-N 3.07Å; Y71-C75 WeakPolarHBondContact CE1-SG 3.3Å; Y71-C75 PolarHBondContact O-N 3.14Å; Y71-C75 PolarHBondContact O-SG 3.26Å; Y71-C75 VanDerWaalsContact O-SG 3.33Å |
| 72 | A | 84.6 | Confident | 84.1 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A68 F69 N70 R74 C75 R76 | A68-A72 WeakPolarHBondContact O-CB 3.36Å; A68-A72 PolarHBondContact O-N 3.08Å; F69-A72 PolarHBondContact O-N 3.27Å; N70-A72 PolarHBondContact O-N 3.09Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 2.82Å; A72-C75 PolarHBondContact O-N 3.14Å; A72-R76 WeakPolarHBondContact O-CB 3.5Å; A72-R76 PolarHBondContact O-N 3.27Å |
| 73 | S | 85.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | D46 F69 N70 Y71 R77 | D46-S73 PolarHBondContact OD2-OG 3.39Å; F69-S73 WeakPolarHBondContact CE1-OG 3.46Å; F69-S73 VanDerWaalsContact O-CB 3.3Å; F69-S73 WeakPolarHBondContact O-CB 3.39Å; F69-S73 PolarHBondContact O-N 3.03Å; F69-S73 PolarHBondContact O-OG 2.83Å; N70-S73 WeakPolarHBondContact O-CB 3.35Å; N70-S73 PolarHBondContact O-N 3.49Å; Y71-S73 VanDerWaalsContact C-N 3.29Å; Y71-S73 PolarHBondContact O-N 3.02Å; S73-R77 WeakPolarHBondContact O-CB 3.41Å; S73-R77 PolarHBondContact O-N 3.12Å |
| 74 | R | 85.1 | Confident | 83.6 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 175.8 | -65.2 | 176.4 | -176.8 | -168.6 | -7.4 | 111.6 | L39 P44 N70 Y71 A72 R76 R77 L78 | L39-R74 HydrophobicContact CD2-CB 3.59Å; P44-R74 HydrophobicContact CB-CG 4.08Å; N70-R74 WeakPolarHBondContact O-CG 3.38Å; N70-R74 PolarHBondContact O-N 3.16Å; N70-R74 PolarHBondContact OD1-NE 3.11Å; Y71-R74 WeakPolarHBondContact O-CB 3.4Å; Y71-R74 PolarHBondContact O-N 3.4Å; Y71-R74 VanDerWaalsContact O-N 3.07Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 2.82Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 2.78Å; R74-R77 PolarHBondContact O-N 3.39Å; R74-R77 VanDerWaalsContact O-N 3.16Å; R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 PolarHBondContact O-N 3.05Å |
| 75 | C | 83.6 | Confident | 83.7 | Confident | 33 Ų | 33 | 71 Ų | 71 | 22% | 0.223 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.3 | -48.5 | 173.8 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | L39 Y71 A72 R77 L78 A79 | L39-C75 HydrophobicContact CD2-CB 4.33Å; L39-C75 VanDerWaalsContact CD2-SG 3.59Å; Y71-C75 WeakPolarHBondContact CE1-SG 3.3Å; Y71-C75 PolarHBondContact O-N 3.14Å; Y71-C75 PolarHBondContact O-SG 3.26Å; Y71-C75 VanDerWaalsContact O-SG 3.33Å; A72-C75 PolarHBondContact O-N 3.14Å; C75-R77 VanDerWaalsContact C-N 3.33Å; C75-R77 PolarHBondContact O-N 3.07Å; C75-L78 PolarHBondContact O-N 3.39Å; C75-A79 PolarHBondContact O-N 3.35Å |
| 76 | R | 83.6 | Confident | 83.8 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.4 | -177 | 175.7 | 60.9 | 80.7 | 5.2 | 111.6 | D46 A72 R74 A79 Q80 | D46-R76 VanDerWaalsContact CB-NH2 3.3Å; D46-R76 IonicContact OD1-NH2 3.96Å; D46-R76 IonicContact OD2-CZ 3.51Å; D46-R76 IonicContact OD2-NE 3.73Å; D46-R76 IonicContact OD2-NH2 2.65Å; D46-R76 PolarHBondContact OD2-NH2 2.72Å; A72-R76 WeakPolarHBondContact O-CB 3.5Å; A72-R76 PolarHBondContact O-N 3.27Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 2.78Å; R76-A79 PolarHBondContact O-N 3.48Å; R76-Q80 WeakPolarHBondContact O-CG 3.27Å; R76-Q80 PolarHBondContact O-N 3.07Å; R76-Q80 VanDerWaalsContact O-N 3.11Å |
| 77 | R | 83.2 | Confident | 83.9 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.6 | 179.1 | 58.9 | 175.5 | 176.6 | 2.7 | 111.9 | V42 S73 R74 C75 Q80 L81 | V42-R77 HydrophobicContact CG1-CB 3.66Å; V42-R77 HydrophobicContact CG1-CG 3.38Å; S73-R77 WeakPolarHBondContact O-CB 3.41Å; S73-R77 PolarHBondContact O-N 3.12Å; R74-R77 PolarHBondContact O-N 3.39Å; R74-R77 VanDerWaalsContact O-N 3.16Å; C75-R77 VanDerWaalsContact C-N 3.33Å; C75-R77 PolarHBondContact O-N 3.07Å; R77-Q80 WeakPolarHBondContact O-CB 3.48Å; R77-Q80 PolarHBondContact O-N 2.96Å; R77-L81 HydrophobicContact CG-CD1 4.37Å; R77-L81 WeakPolarHBondContact O-CG 3.27Å; R77-L81 PolarHBondContact O-N 3.37Å |
| 78 | L | 85 | Confident | 84.2 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 177.2 | -176.3 | 52.8 | 0 | 0 | 0 | 110.5 | L34 D38 L39 V42 R74 C75 Q80 L81 H82 | L34-L78 HydrophobicContact CD2-CD2 3.84Å; D38-L78 HydrophobicContact CB-CD2 4.41Å; L39-L78 HydrophobicContact CD2-CD2 4.4Å; L39-L78 HydrophobicContact CG-CD2 3.95Å; V42-L78 HydrophobicContact CG2-CB 4.21Å; V42-L78 HydrophobicContact CG2-CD1 3.97Å; V42-L78 HydrophobicContact CG2-CG 4.5Å; R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 PolarHBondContact O-N 3.05Å; C75-L78 PolarHBondContact O-N 3.39Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.4Å; L78-L81 WeakPolarHBondContact O-CB 3.47Å; L78-L81 PolarHBondContact O-N 3.15Å; L78-H82 WeakPolarHBondContact CD1-NE2 3.46Å; L78-H82 PolarHBondContact O-CD2 2.75Å; L78-H82 PolarHBondContact O-N 3.29Å |
| 79 | A | 82.4 | Confident | 84.7 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.1 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C75 R76 L81 H82 T83 | C75-A79 PolarHBondContact O-N 3.35Å; R76-A79 PolarHBondContact O-N 3.48Å; A79-L81 PolarHBondContact O-N 3.42Å; A79-H82 PolarHBondContact O-N 3.39Å; A79-T83 PolarHBondContact O-N 3.14Å; A79-T83 PolarHBondContact O-OG1 3.01Å; A79-T83 VanDerWaalsContact O-OG1 3.08Å |
| 80 | Q | 82 | Confident | 85.1 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 174.9 | -70.5 | 173.2 | -15.6 | 0 | 0 | 112.6 | R76 R77 L78 H82 T83 V84 | R76-Q80 WeakPolarHBondContact O-CG 3.27Å; R76-Q80 PolarHBondContact O-N 3.07Å; R76-Q80 VanDerWaalsContact O-N 3.11Å; R77-Q80 WeakPolarHBondContact O-CB 3.48Å; R77-Q80 PolarHBondContact O-N 2.96Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.4Å; Q80-H82 VanDerWaalsContact C-N 3.34Å; Q80-T83 PolarHBondContact O-N 3.04Å; Q80-V84 WeakPolarHBondContact O-CG2 3.26Å; Q80-V84 PolarHBondContact O-N 2.93Å; Q80-V84 VanDerWaalsContact O-N 3.07Å |
| 81 | L | 83.6 | Confident | 85.5 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.1 | -70.8 | 170.2 | 0 | 0 | 0 | 111.3 | R77 L78 A79 V84 K85 | R77-L81 HydrophobicContact CG-CD1 4.37Å; R77-L81 WeakPolarHBondContact O-CG 3.27Å; R77-L81 PolarHBondContact O-N 3.37Å; L78-L81 WeakPolarHBondContact O-CB 3.47Å; L78-L81 PolarHBondContact O-N 3.15Å; A79-L81 PolarHBondContact O-N 3.42Å; L81-V84 PolarHBondContact O-N 2.9Å; L81-K85 WeakPolarHBondContact O-CB 3.43Å; L81-K85 PolarHBondContact O-N 3.5Å |
| 82 | H | 85.1 | Confident | 86 | Confident | 102 Ų | 102 | 71.5 Ų | 71.5 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.6 | -79.9 | -78.6 | 0 | 0 | 0 | 112.4 | L78 A79 Q80 V84 K85 A86 | L78-H82 WeakPolarHBondContact CD1-NE2 3.46Å; L78-H82 PolarHBondContact O-CD2 2.75Å; L78-H82 PolarHBondContact O-N 3.29Å; A79-H82 PolarHBondContact O-N 3.39Å; Q80-H82 VanDerWaalsContact C-N 3.34Å; H82-V84 VanDerWaalsContact C-N 3.35Å; H82-V84 PolarHBondContact O-N 2.96Å; H82-K85 PolarHBondContact O-N 3.02Å; H82-A86 WeakPolarHBondContact O-CB 3.41Å; H82-A86 PolarHBondContact O-N 3.1Å |
| 83 | T | 82.3 | Confident | 86.6 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | A79 Q80 K85 A86 G87 | A79-T83 PolarHBondContact O-N 3.14Å; A79-T83 PolarHBondContact O-OG1 3.01Å; A79-T83 VanDerWaalsContact O-OG1 3.08Å; Q80-T83 PolarHBondContact O-N 3.04Å; T83-K85 VanDerWaalsContact C-N 3.33Å; T83-A86 PolarHBondContact O-N 2.76Å; T83-G87 PolarHBondContact O-N 3.14Å; T83-G87 VanDerWaalsContact O-N 3.11Å |
| 84 | V | 79.5 | Confident | 87.2 | Confident | 89 Ų | 89 | 77.3 Ų | 77.3 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | Q80 L81 H82 A86 G87 E88 | Q80-V84 WeakPolarHBondContact O-CG2 3.26Å; Q80-V84 PolarHBondContact O-N 2.93Å; Q80-V84 VanDerWaalsContact O-N 3.07Å; L81-V84 PolarHBondContact O-N 2.9Å; H82-V84 VanDerWaalsContact C-N 3.35Å; H82-V84 PolarHBondContact O-N 2.96Å; V84-A86 PolarHBondContact O-N 3.49Å; V84-G87 PolarHBondContact O-N 2.81Å; V84-E88 PolarHBondContact O-N 2.65Å |
| 85 | K | 83.8 | Confident | 87.8 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | -178.2 | -169.7 | 56.1 | 176.8 | 177.5 | 0 | 112.8 | L81 H82 T83 G87 E88 V89 | L81-K85 WeakPolarHBondContact O-CB 3.43Å; L81-K85 PolarHBondContact O-N 3.5Å; H82-K85 PolarHBondContact O-N 3.02Å; T83-K85 VanDerWaalsContact C-N 3.33Å; K85-G87 VanDerWaalsContact C-N 3.33Å; K85-E88 VanDerWaalsContact CD-OE2 3.24Å; K85-E88 WeakPolarHBondContact CD-OE2 3.37Å; K85-E88 IonicContact NZ-OE2 2.69Å; K85-E88 PolarHBondContact NZ-OE2 3.48Å; K85-E88 WeakPolarHBondContact O-CB 3.33Å; K85-E88 PolarHBondContact O-N 3.36Å; K85-V89 WeakPolarHBondContact O-CG2 3.38Å; K85-V89 PolarHBondContact O-N 2.79Å |
| 86 | A | 85.6 | Confident | 88.5 | Confident | 50 Ų | 50 | 77.1 Ų | 77.1 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H82 T83 V84 E88 V89 D90 | H82-A86 WeakPolarHBondContact O-CB 3.41Å; H82-A86 PolarHBondContact O-N 3.1Å; T83-A86 PolarHBondContact O-N 2.76Å; V84-A86 PolarHBondContact O-N 3.49Å; A86-E88 VanDerWaalsContact C-N 3.34Å; A86-E88 PolarHBondContact O-N 2.94Å; A86-V89 PolarHBondContact O-N 3.06Å; A86-V89 VanDerWaalsContact O-N 3.17Å; A86-D90 PolarHBondContact O-N 3.25Å |
| 87 | G | 87.1 | Confident | 89.1 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T83 V84 K85 A91 | T83-G87 PolarHBondContact O-N 3.14Å; T83-G87 VanDerWaalsContact O-N 3.11Å; V84-G87 PolarHBondContact O-N 2.81Å; K85-G87 VanDerWaalsContact C-N 3.33Å; G87-A91 WeakPolarHBondContact O-CB 3.36Å; G87-A91 PolarHBondContact O-N 3.12Å |
| 88 | E | 90 | Very high | 89.8 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 172.9 | -69.9 | 174.5 | -176.8 | 0 | 0 | 112 | V84 K85 A86 A91 E92 | V84-E88 PolarHBondContact O-N 2.65Å; K85-E88 VanDerWaalsContact CD-OE2 3.24Å; K85-E88 WeakPolarHBondContact CD-OE2 3.37Å; K85-E88 IonicContact NZ-OE2 2.69Å; K85-E88 PolarHBondContact NZ-OE2 3.48Å; K85-E88 WeakPolarHBondContact O-CB 3.33Å; K85-E88 PolarHBondContact O-N 3.36Å; A86-E88 VanDerWaalsContact C-N 3.34Å; A86-E88 PolarHBondContact O-N 2.94Å; E88-A91 PolarHBondContact O-N 3.16Å; E88-E92 PolarHBondContact O-N 2.77Å |
| 89 | V | 92.1 | Very high | 90.4 | Very high | 80 Ų | 80 | 82.9 Ų | 82.9 | 49% | 0.485 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 179.2 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | K85 A86 A91 E92 L93 | K85-V89 WeakPolarHBondContact O-CG2 3.38Å; K85-V89 PolarHBondContact O-N 2.79Å; A86-V89 PolarHBondContact O-N 3.06Å; A86-V89 VanDerWaalsContact O-N 3.17Å; V89-A91 VanDerWaalsContact C-N 3.35Å; V89-A91 PolarHBondContact O-N 2.84Å; V89-E92 PolarHBondContact O-N 2.96Å; V89-L93 WeakPolarHBondContact O-CB 3.3Å; V89-L93 PolarHBondContact O-N 3.49Å |
| 90 | D | 93.8 | Very high | 91.1 | Very high | 97 Ų | 97 | 85.8 Ų | 85.8 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.2 | -74.4 | -20.3 | 0 | 0 | 0 | 111.3 | A86 L93 E94 | A86-D90 PolarHBondContact O-N 3.25Å; D90-L93 WeakPolarHBondContact O-CB 3.37Å; D90-L93 PolarHBondContact O-N 2.67Å; D90-E94 WeakPolarHBondContact O-CG 3.25Å; D90-E94 PolarHBondContact O-N 2.97Å |
| 91 | A | 94.1 | Very high | 91.9 | Very high | 64 Ų | 64 | 88.3 Ų | 88.3 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G87 E88 V89 L93 E94 S95 | G87-A91 WeakPolarHBondContact O-CB 3.36Å; G87-A91 PolarHBondContact O-N 3.12Å; E88-A91 PolarHBondContact O-N 3.16Å; V89-A91 VanDerWaalsContact C-N 3.35Å; V89-A91 PolarHBondContact O-N 2.84Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-E94 PolarHBondContact O-N 3.39Å; A91-S95 PolarHBondContact O-N 2.89Å |
| 92 | E | 95.6 | Very high | 92.5 | Very high | 115 Ų | 115 | 87.7 Ų | 87.7 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 176.1 | -170.5 | 59.7 | -144 | 0 | 0 | 111.7 | E88 V89 S95 C96 | E88-E92 PolarHBondContact O-N 2.77Å; V89-E92 PolarHBondContact O-N 2.96Å; E92-S95 WeakPolarHBondContact O-CB 3.29Å; E92-S95 PolarHBondContact O-N 2.88Å; E92-C96 PolarHBondContact O-N 3.49Å; E92-C96 PolarHBondContact O-SG 3.33Å; E92-C96 VanDerWaalsContact O-SG 3.33Å |
| 93 | L | 97.1 | Very high | 93.1 | Very high | 83 Ų | 83 | 87.5 Ų | 87.5 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.5 | 178.6 | 62.4 | 0 | 0 | 0 | 111.5 | V89 D90 A91 S95 C96 K97 | V89-L93 WeakPolarHBondContact O-CB 3.3Å; V89-L93 PolarHBondContact O-N 3.49Å; D90-L93 WeakPolarHBondContact O-CB 3.37Å; D90-L93 PolarHBondContact O-N 2.67Å; A91-L93 VanDerWaalsContact C-N 3.33Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-C96 PolarHBondContact O-N 2.9Å; L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 3.42Å |
| 94 | E | 97.2 | Very high | 93.9 | Very high | 97 Ų | 97 | 85.5 Ų | 85.5 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 176.2 | -69.4 | -53.9 | 130.2 | 0 | 0 | 112 | D90 A91 K97 M98 | D90-E94 WeakPolarHBondContact O-CG 3.25Å; D90-E94 PolarHBondContact O-N 2.97Å; A91-E94 PolarHBondContact O-N 3.39Å; E94-K97 PolarHBondContact O-N 3.43Å; E94-K97 IonicContact OE1-NZ 3.43Å; E94-K97 PolarHBondContact OE1-NZ 3.49Å; E94-M98 WeakPolarHBondContact O-CG 3.41Å; E94-M98 PolarHBondContact O-N 3.28Å; E94-M98 VanDerWaalsContact O-N 3.07Å |
| 95 | S | 97.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 87.5 Ų | 87.5 | 26% | 0.259 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58 | -49.6 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | A91 E92 L93 K97 M98 Q99 | A91-S95 PolarHBondContact O-N 2.89Å; E92-S95 WeakPolarHBondContact O-CB 3.29Å; E92-S95 PolarHBondContact O-N 2.88Å; L93-S95 VanDerWaalsContact C-N 3.33Å; S95-K97 VanDerWaalsContact C-N 3.33Å; S95-K97 PolarHBondContact O-N 3.5Å; S95-M98 PolarHBondContact O-N 3.3Å; S95-Q99 WeakPolarHBondContact O-CG 3.49Å; S95-Q99 PolarHBondContact O-N 3.2Å |
| 96 | C | 97.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 86 Ų | 86 | 32% | 0.324 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 176.6 | -74 | 0 | 0 | 0 | 0 | 112.3 | E92 L93 Q99 I100 | E92-C96 PolarHBondContact O-N 3.49Å; E92-C96 PolarHBondContact O-SG 3.33Å; E92-C96 VanDerWaalsContact O-SG 3.33Å; L93-C96 PolarHBondContact O-N 2.9Å; C96-Q99 PolarHBondContact O-N 2.86Å; C96-I100 WeakPolarHBondContact O-CG1 3.43Å; C96-I100 PolarHBondContact O-N 3.48Å |
| 97 | K | 97.9 | Very high | 95.9 | Very high | 91 Ų | 91 | 89 Ų | 89 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 176.9 | -74.2 | 174.4 | -175.7 | 169.1 | 0 | 111.8 | L93 E94 S95 Q99 I100 E101 | L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 3.42Å; E94-K97 PolarHBondContact O-N 3.43Å; E94-K97 IonicContact OE1-NZ 3.43Å; E94-K97 PolarHBondContact OE1-NZ 3.49Å; S95-K97 VanDerWaalsContact C-N 3.33Å; S95-K97 PolarHBondContact O-N 3.5Å; K97-Q99 VanDerWaalsContact C-N 3.28Å; K97-Q99 PolarHBondContact O-N 3.21Å; K97-I100 PolarHBondContact O-N 3Å; K97-E101 WeakPolarHBondContact O-CG 3.35Å; K97-E101 PolarHBondContact O-N 2.86Å |
| 98 | M | 96.8 | Very high | 96.3 | Very high | 112 Ų | 112 | 93 Ų | 93 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.6 | -37.7 | 177.3 | -71.2 | -172.5 | -70 | 0 | 0 | 112.6 | E94 S95 T102 | E94-M98 WeakPolarHBondContact O-CG 3.41Å; E94-M98 PolarHBondContact O-N 3.28Å; E94-M98 VanDerWaalsContact O-N 3.07Å; S95-M98 PolarHBondContact O-N 3.3Å; M98-T102 WeakPolarHBondContact O-CB 3.38Å; M98-T102 PolarHBondContact O-N 3.38Å; M98-T102 PolarHBondContact O-OG1 3.05Å |
| 99 | Q | 97.7 | Very high | 96.6 | Very high | 109 Ų | 109 | 92.7 Ų | 92.7 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.8 | -70.1 | 176.5 | 10.4 | 0 | 0 | 111.4 | S95 C96 K97 T102 I103 | S95-Q99 WeakPolarHBondContact O-CG 3.49Å; S95-Q99 PolarHBondContact O-N 3.2Å; C96-Q99 PolarHBondContact O-N 2.86Å; K97-Q99 VanDerWaalsContact C-N 3.28Å; K97-Q99 PolarHBondContact O-N 3.21Å; Q99-T102 PolarHBondContact O-N 3.3Å; Q99-I103 VanDerWaalsContact O-CG1 3.29Å; Q99-I103 WeakPolarHBondContact O-CG1 3.32Å; Q99-I103 PolarHBondContact O-N 2.96Å |
| 100 | I | 97.8 | Very high | 96.7 | Very high | 108 Ų | 108 | 92.4 Ų | 92.4 | 55% | 0.554 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 177.3 | -70.1 | 167.4 | 0 | 0 | 0 | 111 | C96 K97 T102 I103 T104 | C96-I100 WeakPolarHBondContact O-CG1 3.43Å; C96-I100 PolarHBondContact O-N 3.48Å; K97-I100 PolarHBondContact O-N 3Å; I100-T102 VanDerWaalsContact C-N 3.32Å; I100-T102 PolarHBondContact O-N 2.83Å; I100-I103 PolarHBondContact O-N 3Å; I100-T104 WeakPolarHBondContact O-CB 3.3Å; I100-T104 PolarHBondContact O-N 2.74Å; I100-T104 PolarHBondContact O-OG1 2.85Å |
| 101 | E | 97.3 | Very high | 96.8 | Very high | 135 Ų | 135 | 92.3 Ų | 92.3 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 176.1 | -72.7 | 176.3 | 179.4 | 0 | 0 | 111.7 | K97 T104 R105 | K97-E101 WeakPolarHBondContact O-CG 3.35Å; K97-E101 PolarHBondContact O-N 2.86Å; E101-T104 PolarHBondContact O-N 3.43Å; E101-R105 PolarHBondContact O-N 3.27Å |
| 102 | T | 97.6 | Very high | 96.7 | Very high | 63 Ų | 63 | 93 Ų | 93 | 39% | 0.387 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.6 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | M98 Q99 I100 T104 R105 L106 | M98-T102 WeakPolarHBondContact O-CB 3.38Å; M98-T102 PolarHBondContact O-N 3.38Å; M98-T102 PolarHBondContact O-OG1 3.05Å; Q99-T102 PolarHBondContact O-N 3.3Å; I100-T102 VanDerWaalsContact C-N 3.32Å; I100-T102 PolarHBondContact O-N 2.83Å; T102-T104 VanDerWaalsContact C-N 3.32Å; T102-T104 PolarHBondContact O-N 3.47Å; T102-R105 PolarHBondContact O-N 2.89Å; T102-L106 HydrophobicContact CG2-CD1 4.28Å; T102-L106 WeakPolarHBondContact O-CG 3.27Å; T102-L106 PolarHBondContact O-N 2.86Å; T102-L106 VanDerWaalsContact O-N 3.07Å |
| 103 | I | 97.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 92.9 Ų | 92.9 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 177.1 | -69.2 | 165.4 | 0 | 0 | 0 | 110.4 | Q99 I100 R105 L106 L107 | Q99-I103 VanDerWaalsContact O-CG1 3.29Å; Q99-I103 WeakPolarHBondContact O-CG1 3.32Å; Q99-I103 PolarHBondContact O-N 2.96Å; I100-I103 PolarHBondContact O-N 3Å; I103-R105 PolarHBondContact O-N 3.46Å; I103-L106 PolarHBondContact O-N 2.93Å; I103-L107 HydrophobicContact CG2-CD1 4.04Å; I103-L107 HydrophobicContact CG2-CG 4.39Å; I103-L107 WeakPolarHBondContact O-CG 3.26Å; I103-L107 PolarHBondContact O-N 2.92Å |
| 104 | T | 97.3 | Very high | 96.4 | Very high | 63 Ų | 63 | 93.6 Ų | 93.6 | 39% | 0.387 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 111 | I100 E101 T102 L106 L107 E108 | I100-T104 WeakPolarHBondContact O-CB 3.3Å; I100-T104 PolarHBondContact O-N 2.74Å; I100-T104 PolarHBondContact O-OG1 2.85Å; E101-T104 PolarHBondContact O-N 3.43Å; T102-T104 VanDerWaalsContact C-N 3.32Å; T102-T104 PolarHBondContact O-N 3.47Å; T104-L106 PolarHBondContact O-N 3.39Å; T104-L107 WeakPolarHBondContact O-CB 3.42Å; T104-L107 PolarHBondContact O-N 3.47Å; T104-E108 WeakPolarHBondContact O-CG 3.48Å; T104-E108 PolarHBondContact O-N 3.23Å |
| 105 | R | 96.5 | Very high | 96.1 | Very high | 130 Ų | 130 | 96.4 Ų | 96.4 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.7 | 179.8 | 172 | 55.9 | 103.5 | -2 | 112.6 | E101 T102 I103 L107 E108 E109 | E101-R105 PolarHBondContact O-N 3.27Å; T102-R105 PolarHBondContact O-N 2.89Å; I103-R105 PolarHBondContact O-N 3.46Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 2.89Å; R105-E108 PolarHBondContact O-N 3.4Å; R105-E109 WeakPolarHBondContact CG-OE1 3.36Å; R105-E109 IonicContact NH1-OE1 2.82Å; R105-E109 WeakPolarHBondContact O-CB 3.5Å; R105-E109 WeakPolarHBondContact O-CG 3.38Å; R105-E109 PolarHBondContact O-N 3.21Å |
| 106 | L | 97.5 | Very high | 95.7 | Very high | 86 Ų | 86 | 98 Ų | 98 | 45% | 0.45 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 176.4 | -71.6 | 171.8 | 0 | 0 | 0 | 112.1 | T102 I103 T104 T110 | T102-L106 HydrophobicContact CG2-CD1 4.28Å; T102-L106 WeakPolarHBondContact O-CG 3.27Å; T102-L106 PolarHBondContact O-N 2.86Å; T102-L106 VanDerWaalsContact O-N 3.07Å; I103-L106 PolarHBondContact O-N 2.93Å; T104-L106 PolarHBondContact O-N 3.39Å; L106-T110 WeakPolarHBondContact O-CB 3.28Å; L106-T110 PolarHBondContact O-N 3.19Å; L106-T110 PolarHBondContact O-OG1 2.87Å |
| 107 | L | 97.1 | Very high | 95.1 | Very high | 113 Ų | 113 | 101 Ų | 101 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -44.8 | 174.7 | -73.8 | 171.2 | 0 | 0 | 0 | 111.5 | I103 T104 R105 T110 E111 | I103-L107 HydrophobicContact CG2-CD1 4.04Å; I103-L107 HydrophobicContact CG2-CG 4.39Å; I103-L107 WeakPolarHBondContact O-CG 3.26Å; I103-L107 PolarHBondContact O-N 2.92Å; T104-L107 WeakPolarHBondContact O-CB 3.42Å; T104-L107 PolarHBondContact O-N 3.47Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 2.89Å; L107-T110 PolarHBondContact O-N 3.07Å; L107-E111 WeakPolarHBondContact O-CB 3.39Å; L107-E111 PolarHBondContact O-N 3.12Å |
| 108 | E | 96.4 | Very high | 94 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 176.3 | -70.4 | 174.8 | 173.9 | 0 | 0 | 112.2 | T104 R105 T110 E111 S112 | T104-E108 WeakPolarHBondContact O-CG 3.48Å; T104-E108 PolarHBondContact O-N 3.23Å; R105-E108 PolarHBondContact O-N 3.4Å; E108-T110 VanDerWaalsContact C-N 3.35Å; E108-E111 PolarHBondContact O-N 3.23Å; E108-S112 WeakPolarHBondContact O-CB 3.41Å; E108-S112 PolarHBondContact O-N 2.89Å |
| 109 | E | 95.3 | Very high | 92.2 | Very high | 94 Ų | 94 | 111.3 Ų | 111.3 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61 | -44.4 | 174.9 | -74.3 | 174.6 | -164.6 | 0 | 0 | 111.2 | R105 S112 L113 | R105-E109 WeakPolarHBondContact CG-OE1 3.36Å; R105-E109 IonicContact NH1-OE1 2.82Å; R105-E109 WeakPolarHBondContact O-CB 3.5Å; R105-E109 WeakPolarHBondContact O-CG 3.38Å; R105-E109 PolarHBondContact O-N 3.21Å; E109-S112 WeakPolarHBondContact O-CB 3.4Å; E109-S112 PolarHBondContact O-N 3.03Å; E109-L113 WeakPolarHBondContact O-CG 3.48Å; E109-L113 PolarHBondContact O-N 3.33Å |
| 110 | T | 95.8 | Very high | 92 | Very high | 73 Ų | 73 | 111.4 Ų | 111.4 | 45% | 0.448 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -43.3 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.5 | L106 L107 E108 S112 L113 I114 | L106-T110 WeakPolarHBondContact O-CB 3.28Å; L106-T110 PolarHBondContact O-N 3.19Å; L106-T110 PolarHBondContact O-OG1 2.87Å; L107-T110 PolarHBondContact O-N 3.07Å; E108-T110 VanDerWaalsContact C-N 3.35Å; T110-S112 VanDerWaalsContact C-N 3.34Å; T110-S112 PolarHBondContact O-N 3.19Å; T110-L113 PolarHBondContact O-N 2.9Å; T110-I114 HydrophobicContact CG2-CD1 4.09Å; T110-I114 WeakPolarHBondContact O-CG1 3.39Å; T110-I114 PolarHBondContact O-N 2.86Å |
| 111 | E | 94.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 111.6 Ų | 111.6 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.5 | -40.3 | 177.1 | -173.4 | 176.4 | -165 | 0 | 0 | 111.8 | L107 E108 I114 R115 | L107-E111 WeakPolarHBondContact O-CB 3.39Å; L107-E111 PolarHBondContact O-N 3.12Å; E108-E111 PolarHBondContact O-N 3.23Å; E111-I114 PolarHBondContact O-N 3.24Å; E111-R115 WeakPolarHBondContact O-CG 3.46Å; E111-R115 PolarHBondContact O-N 3.46Å; E111-R115 IonicContact OE1-CZ 3.61Å; E111-R115 VanDerWaalsContact OE1-CZ 3.29Å; E111-R115 IonicContact OE1-NE 3.96Å; E111-R115 PolarHBondContact OE1-NE 3.3Å; E111-R115 IonicContact OE1-NH2 3.29Å; E111-R115 PolarHBondContact OE1-NH2 3.21Å; E111-R115 IonicContact OE2-NH2 2.63Å |
| 112 | S | 92.9 | Very high | 91.4 | Very high | 79 Ų | 79 | 110.3 Ų | 110.3 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.7 | -44.7 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | E108 E109 T110 R115 S116 | E108-S112 WeakPolarHBondContact O-CB 3.41Å; E108-S112 PolarHBondContact O-N 2.89Å; E109-S112 WeakPolarHBondContact O-CB 3.4Å; E109-S112 PolarHBondContact O-N 3.03Å; T110-S112 VanDerWaalsContact C-N 3.34Å; T110-S112 PolarHBondContact O-N 3.19Å; S112-R115 PolarHBondContact O-N 2.88Å; S112-S116 WeakPolarHBondContact O-CB 3.44Å; S112-S116 PolarHBondContact O-N 3.15Å |
| 113 | L | 93.9 | Very high | 91 | Very high | 112 Ų | 112 | 113.1 Ų | 113.1 | 59% | 0.586 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.7 | -45.4 | 177.1 | -73.8 | 168.2 | 0 | 0 | 0 | 112.1 | E109 T110 R115 S116 T117 | E109-L113 WeakPolarHBondContact O-CG 3.48Å; E109-L113 PolarHBondContact O-N 3.33Å; T110-L113 PolarHBondContact O-N 2.9Å; L113-R115 PolarHBondContact O-N 3.38Å; L113-S116 PolarHBondContact O-N 3.38Å; L113-S116 PolarHBondContact O-OG 3.24Å; L113-T117 PolarHBondContact O-N 3.03Å; L113-T117 VanDerWaalsContact O-N 3.12Å; L113-T117 PolarHBondContact O-OG1 3.12Å |
| 114 | I | 93.4 | Very high | 90.6 | Very high | 97 Ų | 97 | 114 Ų | 114 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58 | -51.6 | 176.7 | -67.9 | 165.7 | 0 | 0 | 0 | 110 | T110 E111 S116 T117 D118 | T110-I114 HydrophobicContact CG2-CD1 4.09Å; T110-I114 WeakPolarHBondContact O-CG1 3.39Å; T110-I114 PolarHBondContact O-N 2.86Å; E111-I114 PolarHBondContact O-N 3.24Å; I114-S116 PolarHBondContact O-N 3.09Å; I114-T117 WeakPolarHBondContact O-CB 3.48Å; I114-T117 PolarHBondContact O-N 3.32Å; I114-D118 PolarHBondContact O-N 3Å |
| 115 | R | 90.4 | Very high | 90.1 | Very high | 157 Ų | 157 | 117.4 Ų | 117.4 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.6 | -28.3 | 179.7 | -70.1 | 176.2 | -177.8 | -173.8 | 1.9 | 113.7 | E111 S112 L113 | E111-R115 WeakPolarHBondContact O-CG 3.46Å; E111-R115 PolarHBondContact O-N 3.46Å; E111-R115 IonicContact OE1-CZ 3.61Å; E111-R115 VanDerWaalsContact OE1-CZ 3.29Å; E111-R115 IonicContact OE1-NE 3.96Å; E111-R115 PolarHBondContact OE1-NE 3.3Å; E111-R115 IonicContact OE1-NH2 3.29Å; E111-R115 PolarHBondContact OE1-NH2 3.21Å; E111-R115 IonicContact OE2-NH2 2.63Å; S112-R115 PolarHBondContact O-N 2.88Å; L113-R115 PolarHBondContact O-N 3.38Å |
| 116 | S | 89.6 | Confident | 89.7 | Confident | 69 Ų | 69 | 116.5 Ų | 116.5 | 48% | 0.483 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.4 | -24.8 | 175.8 | 74.7 | 0 | 0 | 0 | 0 | 113.2 | S112 L113 I114 | S112-S116 WeakPolarHBondContact O-CB 3.44Å; S112-S116 PolarHBondContact O-N 3.15Å; L113-S116 PolarHBondContact O-N 3.38Å; L113-S116 PolarHBondContact O-OG 3.24Å; I114-S116 PolarHBondContact O-N 3.09Å |
| 117 | T | 83.3 | Confident | 89 | Confident | 111 Ų | 111 | 118.8 Ų | 118.8 | 68% | 0.681 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81.8 | -26 | 179 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | L113 I114 R119 | L113-T117 PolarHBondContact O-N 3.03Å; L113-T117 VanDerWaalsContact O-N 3.12Å; L113-T117 PolarHBondContact O-OG1 3.12Å; I114-T117 WeakPolarHBondContact O-CB 3.48Å; I114-T117 PolarHBondContact O-N 3.32Å; T117-R119 VanDerWaalsContact C-N 3.28Å; T117-R119 PolarHBondContact O-N 3.41Å |
| 118 | D | 76.4 | Confident | 88.4 | Confident | 138 Ų | 138 | 119.3 Ų | 119.3 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4.4 | 176.7 | -72 | -22.9 | 0 | 0 | 0 | 114.2 | I114 | I114-D118 PolarHBondContact O-N 3Š|
| 119 | R | 58.9 | Low | 87.7 | Confident | 282 Ų | 282 | 118.9 Ų | 118.9 | 100% | 1.064 | 59% | 0.594 | S | S | * | * | trans | -102.1 | 0 | 177.5 | -74.4 | -172.7 | 179.7 | -176.6 | 1 | 112.2 | T117 | T117-R119 VanDerWaalsContact C-N 3.28Å; T117-R119 PolarHBondContact O-N 3.41Å |
Retrieved 119 of 119 residues in 64.4 ms
(Link to these results)