| 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 | 42.8 | Very low | 43 | Very low | 252 Ų | 252 | 136.9 Ų | 136.9 | 100% | 1.241 | 85% | 0.851 | S | S | * | * | 0 | 115.3 | 0 | -91.9 | 153 | 138.7 | 0 | 0 | 106.9 | |||||
| 2 | A | 39.6 | Very low | 43.1 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | cis | -156 | 145.3 | 9.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | A | 50.7 | Low | 43.3 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -92.4 | 142.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | P | 45.7 | Very low | 43.4 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | -144 | 165.2 | 141.1 | 34.6 | -17.9 | 0 | 0 | 0 | 110.8 | ||||
| 5 | A | 42.3 | Very low | 43.3 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | cis | -163 | 151.9 | -17 | 0 | 0 | 0 | 0 | 0 | 104 | S7 | A5-S7 PolarHBondContact O-N 3.39Š| ||
| 6 | V | 41.4 | Very low | 43.5 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -56 | 129.6 | -171.2 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | G8 | V6-G8 PolarHBondContact O-N 3.01Š| ||
| 7 | S | 43.1 | Very low | 44.1 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -70 | 100.1 | 170.5 | 54.7 | 0 | 0 | 0 | 0 | 111 | A5 | A5-S7 PolarHBondContact O-N 3.39Š| ||
| 8 | G | 37.7 | Very low | 44.4 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -95.7 | 99.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.7 | V6 S10 | V6-G8 PolarHBondContact O-N 3.01Å; G8-S10 VanDerWaalsContact C-N 3.35Å; G8-S10 PolarHBondContact O-N 3Å | ||
| 9 | L | 40.9 | Very low | 44.8 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -63.3 | 92.8 | 166.2 | -98.6 | 136.5 | 0 | 0 | 0 | 109.1 | R11 | L9-R11 PolarHBondContact O-N 3.09Š| ||
| 10 | S | 42.1 | Very low | 44.9 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -70.6 | 98.8 | 168.6 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | G8 Q12 | G8-S10 VanDerWaalsContact C-N 3.35Å; G8-S10 PolarHBondContact O-N 3Å; S10-Q12 VanDerWaalsContact C-N 3.29Å; S10-Q12 PolarHBondContact O-N 3.31Å | ||
| 11 | R | 46.9 | Very low | 45 | Very low | 231 Ų | 231 | 135.8 Ų | 135.8 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -62.1 | 91.1 | 171.5 | -168.4 | 177.8 | -176 | -170.2 | 1.5 | 108.5 | L9 V13 | L9-R11 PolarHBondContact O-N 3.09Å; R11-V13 VanDerWaalsContact C-N 3.33Å; R11-V13 PolarHBondContact O-N 3.04Å | ||
| 12 | Q | 43.5 | Very low | 45.3 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -69.5 | 92.6 | 175.9 | -161 | 131.1 | 25.1 | 0 | 0 | 108.7 | S10 R14 | S10-Q12 VanDerWaalsContact C-N 3.29Å; S10-Q12 PolarHBondContact O-N 3.31Å; Q12-R14 PolarHBondContact O-N 3.38Å | ||
| 13 | V | 46 | Very low | 45.7 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -64.7 | 103.7 | 171.3 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | R11 C15 | R11-V13 VanDerWaalsContact C-N 3.33Å; R11-V13 PolarHBondContact O-N 3.04Å; V13-C15 PolarHBondContact O-N 3.3Å | ||
| 14 | R | 44.8 | Very low | 46.1 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -69.2 | 95.1 | 172.4 | -68 | -177.6 | -179.9 | 170 | -0.3 | 108.3 | Q12 F16 | Q12-R14 PolarHBondContact O-N 3.38Å; R14-F16 HydrophobicContact CB-CD2 4.44Å; R14-F16 HydrophobicContact CB-CE2 4.22Å; R14-F16 PolarHBondContact O-N 3Å; R14-F16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | C | 41.8 | Very low | 47.2 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | -73 | 98.9 | 168.1 | -67.2 | 0 | 0 | 0 | 0 | 109 | V13 S17 | V13-C15 PolarHBondContact O-N 3.3Å; C15-S17 PolarHBondContact O-N 2.88Å | ||
| 16 | F | 46.7 | Very low | 48.8 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -72.2 | 69.2 | 167.7 | -77.1 | -87.2 | 0 | 0 | 0 | 110.7 | R14 | R14-F16 HydrophobicContact CB-CD2 4.44Å; R14-F16 HydrophobicContact CB-CE2 4.22Å; R14-F16 PolarHBondContact O-N 3Å; R14-F16 VanDerWaalsContact O-N 3.14Å | ||
| 17 | S | 53.1 | Low | 50.6 | Low | 89 Ų | 89 | 140.4 Ų | 140.4 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | trans | -131.8 | 80.3 | 171.4 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | C15 S19 | C15-S17 PolarHBondContact O-N 2.88Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.98Å | ||
| 18 | T | 50.2 | Low | 52.5 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 73% | 0.732 | S | S | * | * | trans | -86.3 | 32.8 | 167.7 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | V20 | T18-V20 VanDerWaalsContact C-N 3.3Å; T18-V20 PolarHBondContact O-N 3.3Å; T18-V20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | S | 51.8 | Low | 54.8 | Low | 80 Ų | 80 | 144.4 Ų | 144.4 | 56% | 0.559 | 74% | 0.738 | S | S | * | * | trans | -78.5 | 92.4 | 159.7 | 64.8 | 0 | 0 | 0 | 0 | 107.1 | S17 V21 | S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.98Å; S19-V21 PolarHBondContact O-N 3Å | ||
| 20 | V | 47.2 | Very low | 56.9 | Low | 127 Ų | 127 | 136.7 Ų | 136.7 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | -52.7 | 100.5 | 158.5 | 174.9 | 0 | 0 | 0 | 0 | 105.8 | T18 R22 | T18-V20 VanDerWaalsContact C-N 3.3Å; T18-V20 PolarHBondContact O-N 3.3Å; T18-V20 VanDerWaalsContact O-N 3.1Å; V20-R22 PolarHBondContact O-N 3.23Å | ||
| 21 | V | 46.6 | Very low | 58.9 | Low | 116 Ų | 116 | 134.6 Ų | 134.6 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | trans | -64.7 | 94.4 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 104.4 | S19 | S19-V21 PolarHBondContact O-N 3Š| ||
| 22 | R | 50.2 | Low | 60.8 | Low | 211 Ų | 211 | 126.2 Ų | 126.2 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | trans | -51 | 128.3 | 167.7 | -67.7 | -176 | -175.8 | -160.3 | 0.8 | 105.5 | V20 F24 | V20-R22 PolarHBondContact O-N 3.23Å; R22-F24 PolarHBondContact O-N 2.92Å | ||
| 23 | P | 46.3 | Very low | 62.8 | Low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | trans | -60.6 | 107.7 | 177.3 | 24.3 | -30.9 | 0 | 0 | 0 | 106.5 | A25 | P23-A25 PolarHBondContact O-N 3.05Š| ||
| 24 | F | 60 | Low | 64.8 | Low | 196 Ų | 196 | 120 Ų | 120 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | trans | -58.3 | 112.2 | 170.2 | -86.5 | -86 | 0 | 0 | 0 | 105.7 | R22 K26 | R22-F24 PolarHBondContact O-N 2.92Å; F24-K26 PolarHBondContact O-N 3.32Å | ||
| 25 | A | 69.3 | Low | 66.9 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | trans | -52.7 | 130.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | P23 L27 | P23-A25 PolarHBondContact O-N 3.05Å; A25-L27 PolarHBondContact O-N 3.44Å | ||
| 26 | K | 75.1 | Confident | 69.2 | Low | 195 Ų | 195 | 115.9 Ų | 115.9 | 85% | 0.848 | 61% | 0.606 | S | S | * | * | trans | -44.2 | 114.1 | -177.8 | -72.1 | -178.3 | 179.5 | 178 | 0 | 109.4 | F24 K51 | F24-K26 PolarHBondContact O-N 3.32Å; K26-K51 WeakPolarHBondContact O-CE 3.5Å; K26-K51 PolarHBondContact O-NZ 2.97Å | ||
| 27 | L | 78.3 | Confident | 71.2 | Confident | 113 Ų | 113 | 110.4 Ų | 110.4 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -78 | 126 | -179.1 | -165 | 77.5 | 0 | 0 | 0 | 107.5 | A25 R29 S47 | A25-L27 PolarHBondContact O-N 3.44Å; L27-R29 PolarHBondContact O-N 3.41Å; L27-S47 WeakPolarHBondContact CD1-OG 3.48Å |
| 28 | V | 84.9 | Confident | 72.9 | Confident | 50 Ų | 50 | 108.6 Ų | 108.6 | 30% | 0.303 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 121.4 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | S47 K51 | V28-S47 PolarHBondContact N-OG 3.27Å; V28-K51 HydrophobicContact CG2-CG 4.05Å |
| 29 | R | 84.4 | Confident | 74.8 | Confident | 217 Ų | 217 | 101.9 Ų | 101.9 | 82% | 0.819 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -73 | 126.9 | -179 | -67.1 | -175.4 | 179.9 | -178.8 | -0.1 | 109.1 | L27 | L27-R29 PolarHBondContact O-N 3.41Š|
| 30 | P | 86.1 | Confident | 76.7 | Confident | 13 Ų | 13 | 107.4 Ų | 107.4 | 8% | 0.084 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 157.1 | 173.3 | 30.6 | -35.2 | 0 | 0 | 0 | 110.8 | V32 T43 Y46 M131 | P30-V32 VanDerWaalsContact C-N 3.27Å; P30-V32 PolarHBondContact O-N 3.46Å; P30-T43 HydrophobicContact CG-CG2 3.69Å; P30-Y46 HydrophobicContact CB-CD1 3.73Å; P30-Y46 HydrophobicContact CB-CE1 4.04Å; P30-Y46 HydrophobicContact CB-CG 4.21Å; P30-M131 HydrophobicContact CB-CG 4.48Å; P30-M131 HydrophobicContact CB-SD 3.67Å; P30-M131 HydrophobicContact CG-SD 4.17Å |
| 31 | P | 84 | Confident | 78.8 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -65.4 | -29.7 | -179.1 | 26.8 | -35.1 | 0 | 0 | 0 | 112.8 | M131 V134 H135 | P31-M131 WeakPolarHBondContact CG-O 3.19Å; P31-V134 HydrophobicContact CB-CB 4.48Å; P31-V134 HydrophobicContact CB-CG1 4.01Å; P31-V134 HydrophobicContact CG-CB 4.32Å; P31-V134 HydrophobicContact CG-CG1 4.38Å; P31-H135 HydrophobicContact CG-CB 4.14Å |
| 32 | V | 86.5 | Confident | 81 | Confident | 55 Ų | 55 | 97.2 Ų | 97.2 | 33% | 0.333 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -126.3 | 135.3 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | P30 V34 V134 | P30-V32 VanDerWaalsContact C-N 3.27Å; P30-V32 PolarHBondContact O-N 3.46Å; V32-V34 PolarHBondContact O-N 3.03Å; V32-V134 HydrophobicContact CG2-CB 3.9Å; V32-V134 HydrophobicContact CG2-CG1 3.72Å; V32-V134 HydrophobicContact CG2-CG2 3.69Å |
| 33 | Q | 86.5 | Confident | 83 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | trans | -82.7 | 108.5 | 170 | -66.4 | 98.2 | 44 | 0 | 0 | 109.8 | Y35 | Q33-Y35 HydrophobicContact CB-CE1 4.36Å; Q33-Y35 HydrophobicContact CB-CE2 4.38Å | ||
| 34 | V | 87.1 | Confident | 85.1 | Confident | 41 Ų | 41 | 85 Ų | 85 | 25% | 0.248 | 42% | 0.421 | C | S | . | . | trans | -87.9 | 125.4 | 165.5 | -172.9 | 0 | 0 | 0 | 0 | 108 | V32 G39 A127 M131 | V32-V34 PolarHBondContact O-N 3.03Å; V34-G39 VanDerWaalsContact O-CA 3.31Å; V34-G39 WeakPolarHBondContact O-CA 3.3Å; V34-A127 HydrophobicContact CB-CB 4.37Å; V34-A127 HydrophobicContact CG1-CB 3.87Å; V34-A127 HydrophobicContact CG2-CB 4.41Å; V34-M131 HydrophobicContact CG2-CG 4.03Å; V34-M131 HydrophobicContact CG2-SD 4.44Å | ||
| 35 | Y | 88.3 | Confident | 86.6 | Confident | 189 Ų | 189 | 76 Ų | 76 | 74% | 0.741 | 38% | 0.382 | S | S | * | . | trans | -89.5 | 170.6 | 179.2 | -58.9 | -77.2 | 0 | 0 | 0 | 111.4 | Q33 | Q33-Y35 HydrophobicContact CB-CE1 4.36Å; Q33-Y35 HydrophobicContact CB-CE2 4.38Å | ||
| 36 | G | 89.7 | Confident | 87.7 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | 95.5 | -176.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R40 | G36-R40 WeakPolarHBondContact O-CG 3.33Å; G36-R40 PolarHBondContact O-N 3.22Å; G36-R40 VanDerWaalsContact O-N 3.17Å |
| 37 | I | 88.8 | Confident | 88.4 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.1 | -44 | -177.6 | -63.1 | 169.1 | 0 | 0 | 0 | 109.2 | R40 Y41 | I37-R40 PolarHBondContact O-N 3.39Å; I37-Y41 HydrophobicContact CG2-CD2 4.13Å; I37-Y41 HydrophobicContact CG2-CE2 3.81Å; I37-Y41 WeakPolarHBondContact O-CD2 3.43Å; I37-Y41 PolarHBondContact O-N 2.96Å |
| 38 | E | 90.6 | Very high | 89.1 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 177.9 | -59 | 76.4 | -169.4 | 0 | 0 | 110.9 | R40 Y41 A42 N120 V124 | E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.46Å; E38-Y41 PolarHBondContact O-N 3.18Å; E38-A42 WeakPolarHBondContact O-CB 3.37Å; E38-A42 PolarHBondContact O-N 3.35Å; E38-N120 HydrophobicContact CG-CB 4.15Å; E38-N120 PolarHBondContact OE1-ND2 3.14Å; E38-V124 HydrophobicContact CB-CG2 4.04Å; E38-V124 HydrophobicContact CG-CG2 4.33Å |
| 39 | G | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V34 Y41 A42 T43 | V34-G39 VanDerWaalsContact O-CA 3.31Å; V34-G39 WeakPolarHBondContact O-CA 3.3Å; G39-Y41 PolarHBondContact O-N 2.67Å; G39-A42 PolarHBondContact O-N 3.41Å; G39-T43 WeakPolarHBondContact O-CB 3.41Å; G39-T43 WeakPolarHBondContact O-CG2 3.48Å; G39-T43 PolarHBondContact O-N 3.4Å; G39-T43 PolarHBondContact O-OG1 2.95Å |
| 40 | R | 91.1 | Very high | 89.6 | Confident | 196 Ų | 196 | 48.7 Ų | 48.7 | 74% | 0.74 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 176.1 | -71.2 | 178.2 | 73 | -178.4 | 4.5 | 112.9 | G36 I37 E38 T43 A44 | G36-R40 WeakPolarHBondContact O-CG 3.33Å; G36-R40 PolarHBondContact O-N 3.22Å; G36-R40 VanDerWaalsContact O-N 3.17Å; I37-R40 PolarHBondContact O-N 3.39Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.46Å; R40-T43 WeakPolarHBondContact CA-OG1 3.09Å; R40-T43 PolarHBondContact O-OG1 3.46Å; R40-A44 WeakPolarHBondContact O-CB 3.22Å; R40-A44 PolarHBondContact O-N 3.16Å |
| 41 | Y | 92.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 11% | 0.114 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 175.2 | -75.8 | -70.1 | 0 | 0 | 0 | 111.8 | I37 E38 G39 A44 L45 L112 N115 R117 | I37-Y41 HydrophobicContact CG2-CD2 4.13Å; I37-Y41 HydrophobicContact CG2-CE2 3.81Å; I37-Y41 WeakPolarHBondContact O-CD2 3.43Å; I37-Y41 PolarHBondContact O-N 2.96Å; E38-Y41 PolarHBondContact O-N 3.18Å; G39-Y41 PolarHBondContact O-N 2.67Å; Y41-A44 PolarHBondContact O-N 2.7Å; Y41-L45 WeakPolarHBondContact O-CB 3.44Å; Y41-L45 PolarHBondContact O-N 3.05Å; Y41-L112 HydrophobicContact CD1-CD2 4.21Å; Y41-L112 HydrophobicContact CD2-CD2 3.95Å; Y41-L112 HydrophobicContact CE1-CD2 4.25Å; Y41-L112 HydrophobicContact CE2-CD2 4.01Å; Y41-L112 HydrophobicContact CG-CD2 4.06Å; Y41-N115 WeakPolarHBondContact OH-CB 3.36Å; Y41-N115 PolarHBondContact OH-ND2 3Å; Y41-N115 VanDerWaalsContact OH-ND2 3.14Å; Y41-R117 WeakPolarHBondContact OH-CD 3.42Å; Y41-R117 PolarHBondContact OH-NH1 2.82Å |
| 42 | A | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E38 G39 L45 Y46 V124 A127 F128 M131 | E38-A42 WeakPolarHBondContact O-CB 3.37Å; E38-A42 PolarHBondContact O-N 3.35Å; G39-A42 PolarHBondContact O-N 3.41Å; A42-L45 PolarHBondContact O-N 3.24Å; A42-Y46 WeakPolarHBondContact O-CB 3.49Å; A42-Y46 PolarHBondContact O-N 2.83Å; A42-V124 HydrophobicContact CB-CG1 4.25Å; A42-A127 HydrophobicContact CB-CB 3.91Å; A42-F128 HydrophobicContact CB-CB 4.38Å; A42-M131 HydrophobicContact CB-CE 3.32Å |
| 43 | T | 91.7 | Very high | 90.1 | Very high | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.16 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 176.8 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | P30 G39 R40 Y46 S47 M131 | P30-T43 HydrophobicContact CG-CG2 3.69Å; G39-T43 WeakPolarHBondContact O-CB 3.41Å; G39-T43 WeakPolarHBondContact O-CG2 3.48Å; G39-T43 PolarHBondContact O-N 3.4Å; G39-T43 PolarHBondContact O-OG1 2.95Å; R40-T43 WeakPolarHBondContact CA-OG1 3.09Å; R40-T43 PolarHBondContact O-OG1 3.46Å; T43-Y46 PolarHBondContact O-N 3.49Å; T43-S47 PolarHBondContact O-N 3.34Å; T43-M131 HydrophobicContact CG2-SD 4.09Å |
| 44 | A | 91.1 | Very high | 90.3 | Very high | 53 Ų | 53 | 58 Ų | 58 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R40 Y41 S47 A48 | R40-A44 WeakPolarHBondContact O-CB 3.22Å; R40-A44 PolarHBondContact O-N 3.16Å; Y41-A44 PolarHBondContact O-N 2.7Å; A44-S47 PolarHBondContact O-N 3.5Å; A44-A48 PolarHBondContact O-N 2.79Å |
| 45 | L | 91.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 176.4 | -175.6 | 69.7 | 0 | 0 | 0 | 111.7 | Y41 A42 S47 A48 A49 V58 L62 L104 L108 F128 | Y41-L45 WeakPolarHBondContact O-CB 3.44Å; Y41-L45 PolarHBondContact O-N 3.05Å; A42-L45 PolarHBondContact O-N 3.24Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 2.87Å; L45-A48 PolarHBondContact O-N 2.85Å; L45-A48 VanDerWaalsContact O-N 3.13Å; L45-A49 VanDerWaalsContact O-CB 3.31Å; L45-A49 WeakPolarHBondContact O-CB 3.2Å; L45-A49 PolarHBondContact O-N 2.96Å; L45-V58 HydrophobicContact CD1-CG1 4.29Å; L45-V58 HydrophobicContact CD2-CG1 3.88Å; L45-V58 HydrophobicContact CG-CG1 4.16Å; L45-L62 HydrophobicContact CD2-CD1 3.66Å; L45-L62 HydrophobicContact CD2-CD2 4.33Å; L45-L62 HydrophobicContact CD2-CG 4.41Å; L45-L104 HydrophobicContact CD1-CB 4.42Å; L45-L108 HydrophobicContact CB-CD1 4.39Å; L45-L108 HydrophobicContact CD1-CB 4.27Å; L45-L108 HydrophobicContact CD1-CD1 4.43Å; L45-L108 HydrophobicContact CD1-CD2 4.33Å; L45-L108 HydrophobicContact CD2-CD2 3.63Å; L45-F128 HydrophobicContact CB-CD2 4.49Å; L45-F128 HydrophobicContact CB-CE2 4.42Å; L45-F128 HydrophobicContact CD2-CD2 3.82Å; L45-F128 HydrophobicContact CD2-CE2 3.88Å; L45-F128 HydrophobicContact CD2-CG 4.41Å; L45-F128 HydrophobicContact CG-CD2 4.34Å; L45-F128 HydrophobicContact CG-CE2 4.03Å |
| 46 | Y | 91.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 176.5 | -178 | -89.9 | 0 | 0 | 0 | 111 | P30 A42 T43 A48 A49 S50 L55 F128 M132 H135 | P30-Y46 HydrophobicContact CB-CD1 3.73Å; P30-Y46 HydrophobicContact CB-CE1 4.04Å; P30-Y46 HydrophobicContact CB-CG 4.21Å; A42-Y46 WeakPolarHBondContact O-CB 3.49Å; A42-Y46 PolarHBondContact O-N 2.83Å; T43-Y46 PolarHBondContact O-N 3.49Å; Y46-A48 VanDerWaalsContact C-N 3.3Å; Y46-A48 PolarHBondContact O-N 2.63Å; Y46-A49 PolarHBondContact O-N 3.49Å; Y46-S50 WeakPolarHBondContact O-CB 3.42Å; Y46-S50 PolarHBondContact O-N 2.95Å; Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE2-CD1 4.38Å; Y46-L55 HydrophobicContact CE2-CD2 3.75Å; Y46-L55 HydrophobicContact CG-CD2 4.45Å; Y46-F128 HydrophobicContact CD2-CE2 4.3Å; Y46-M132 HydrophobicContact CD2-SD 4.48Å; Y46-M132 HydrophobicContact CE2-SD 4.24Å; Y46-H135 PolarHBondContact OH-CD2 3.11Å |
| 47 | S | 91.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | L27 V28 T43 A44 L45 K51 | L27-S47 WeakPolarHBondContact CD1-OG 3.48Å; V28-S47 PolarHBondContact N-OG 3.27Å; T43-S47 PolarHBondContact O-N 3.34Å; A44-S47 PolarHBondContact O-N 3.5Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 2.87Å; S47-K51 VanDerWaalsContact O-CG 3.26Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 2.83Å |
| 48 | A | 91.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 28% | 0.281 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.4 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | A44 L45 Y46 K51 Q52 L104 | A44-A48 PolarHBondContact O-N 2.79Å; L45-A48 PolarHBondContact O-N 2.85Å; L45-A48 VanDerWaalsContact O-N 3.13Å; Y46-A48 VanDerWaalsContact C-N 3.3Å; Y46-A48 PolarHBondContact O-N 2.63Å; A48-K51 PolarHBondContact O-N 2.94Å; A48-Q52 PolarHBondContact O-N 2.86Å; A48-L104 HydrophobicContact CB-CD2 3.95Å |
| 49 | A | 91 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.7 | -36.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L45 Y46 Q52 N53 K54 L55 V58 L104 | L45-A49 VanDerWaalsContact O-CB 3.31Å; L45-A49 WeakPolarHBondContact O-CB 3.2Å; L45-A49 PolarHBondContact O-N 2.96Å; Y46-A49 PolarHBondContact O-N 3.49Å; A49-Q52 CarbonylContact O-C 3.53Å; A49-Q52 PolarHBondContact O-N 2.79Å; A49-N53 PolarHBondContact O-N 3.42Å; A49-K54 PolarHBondContact O-N 2.84Å; A49-L55 HydrophobicContact CB-CD2 3.7Å; A49-L55 HydrophobicContact CB-CG 4.4Å; A49-V58 HydrophobicContact CB-CG2 4.17Å; A49-L104 HydrophobicContact CB-CD1 4Å |
| 50 | S | 90.1 | Very high | 90.5 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | Y46 Q52 N53 | Y46-S50 WeakPolarHBondContact O-CB 3.42Å; Y46-S50 PolarHBondContact O-N 2.95Å; S50-Q52 PolarHBondContact O-N 2.84Å; S50-N53 PolarHBondContact O-N 2.78Å; S50-N53 VanDerWaalsContact O-N 3.09Å; S50-N53 PolarHBondContact O-OD1 2.88Å |
| 51 | K | 89.6 | Confident | 90.5 | Very high | 106 Ų | 106 | 45.8 Ų | 45.8 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.3 | -29.3 | 175.1 | -75.4 | 173.6 | -178.4 | 179.3 | 0 | 113.6 | K26 V28 S47 A48 | K26-K51 WeakPolarHBondContact O-CE 3.5Å; K26-K51 PolarHBondContact O-NZ 2.97Å; V28-K51 HydrophobicContact CG2-CG 4.05Å; S47-K51 VanDerWaalsContact O-CG 3.26Å; S47-K51 WeakPolarHBondContact O-CG 3.46Å; S47-K51 PolarHBondContact O-N 2.83Å; A48-K51 PolarHBondContact O-N 2.94Å |
| 52 | Q | 89.1 | Confident | 90.4 | Very high | 93 Ų | 93 | 44.5 Ų | 44.5 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 0.7 | 179.5 | -62.9 | -175.8 | 22.3 | 0 | 0 | 113.2 | A48 A49 S50 K54 | A48-Q52 PolarHBondContact O-N 2.86Å; A49-Q52 CarbonylContact O-C 3.53Å; A49-Q52 PolarHBondContact O-N 2.79Å; S50-Q52 PolarHBondContact O-N 2.84Å; Q52-K54 PolarHBondContact O-N 2.96Å |
| 53 | N | 88 | Confident | 90.4 | Very high | 145 Ų | 145 | 48.3 Ų | 48.3 | 78% | 0.775 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.6 | -174.9 | -62.2 | -53.4 | 0 | 0 | 0 | 114.6 | A49 S50 | A49-N53 PolarHBondContact O-N 3.42Å; S50-N53 PolarHBondContact O-N 2.78Å; S50-N53 VanDerWaalsContact O-N 3.09Å; S50-N53 PolarHBondContact O-OD1 2.88Å |
| 54 | K | 90.4 | Very high | 90.3 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | trans | -113.1 | 26.9 | -177.7 | -71.3 | 179.4 | -176.5 | 178.3 | 0 | 113.7 | A49 Q52 E56 Q57 V58 | A49-K54 PolarHBondContact O-N 2.84Å; Q52-K54 PolarHBondContact O-N 2.96Å; K54-E56 PolarHBondContact O-N 2.83Å; K54-Q57 PolarHBondContact O-N 3.26Å; K54-V58 WeakPolarHBondContact O-CG2 3.24Å; K54-V58 PolarHBondContact O-N 3.47Å | ||
| 55 | L | 87.8 | Confident | 90.1 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57 | -50.7 | -173.6 | -70.3 | 166.8 | 0 | 0 | 0 | 113.1 | Y46 A49 Q57 V58 E59 M132 | Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE2-CD1 4.38Å; Y46-L55 HydrophobicContact CE2-CD2 3.75Å; Y46-L55 HydrophobicContact CG-CD2 4.45Å; A49-L55 HydrophobicContact CB-CD2 3.7Å; A49-L55 HydrophobicContact CB-CG 4.4Å; L55-Q57 VanDerWaalsContact C-N 3.33Å; L55-Q57 PolarHBondContact O-N 2.87Å; L55-V58 PolarHBondContact O-N 2.7Å; L55-E59 PolarHBondContact O-N 3.33Å; L55-M132 HydrophobicContact CB-CE 3.82Å; L55-M132 HydrophobicContact CB-SD 3.96Å; L55-M132 HydrophobicContact CD2-SD 4.19Å |
| 56 | E | 88.5 | Confident | 90 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.8 | -35.9 | -178 | -170.7 | 61.7 | -153 | 0 | 0 | 112.7 | K54 K60 R136 | K54-E56 PolarHBondContact O-N 2.83Å; E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 2.84Å; E56-K60 WeakPolarHBondContact OE1-CE 3.31Å; E56-R136 IonicContact OE1-CZ 3.71Å; E56-R136 IonicContact OE1-NH2 2.82Å; E56-R136 PolarHBondContact OE1-NH2 2.87Å; E56-R136 IonicContact OE2-CZ 3.54Å; E56-R136 IonicContact OE2-NE 2.92Å; E56-R136 IonicContact OE2-NH2 2.7Å; E56-R136 PolarHBondContact OE2-NH2 2.8Å |
| 57 | Q | 90.3 | Very high | 89.8 | Confident | 89 Ų | 89 | 58 Ų | 58 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 175.7 | 179.5 | -179.3 | -1.6 | 0 | 0 | 110.3 | K54 L55 E59 K60 E61 | K54-Q57 PolarHBondContact O-N 3.26Å; L55-Q57 VanDerWaalsContact C-N 3.33Å; L55-Q57 PolarHBondContact O-N 2.87Å; Q57-E59 VanDerWaalsContact C-N 3.29Å; Q57-E59 PolarHBondContact O-N 3.5Å; Q57-K60 PolarHBondContact O-N 3.03Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.48Å; Q57-E61 PolarHBondContact NE2-OE1 2.94Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3Å |
| 58 | V | 91.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 180 | 173.2 | 0 | 0 | 0 | 0 | 111 | L45 A49 K54 L55 K60 E61 L62 L104 F128 | L45-V58 HydrophobicContact CD1-CG1 4.29Å; L45-V58 HydrophobicContact CD2-CG1 3.88Å; L45-V58 HydrophobicContact CG-CG1 4.16Å; A49-V58 HydrophobicContact CB-CG2 4.17Å; K54-V58 WeakPolarHBondContact O-CG2 3.24Å; K54-V58 PolarHBondContact O-N 3.47Å; L55-V58 PolarHBondContact O-N 2.7Å; V58-K60 PolarHBondContact O-N 2.9Å; V58-E61 PolarHBondContact O-N 3Å; V58-L62 HydrophobicContact CG1-CD1 4.09Å; V58-L62 HydrophobicContact CG1-CG 4.22Å; V58-L62 WeakPolarHBondContact O-CB 3.18Å; V58-L62 VanDerWaalsContact O-CG 3.26Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 3.34Å; V58-L104 HydrophobicContact CG2-CB 4.16Å; V58-L104 HydrophobicContact CG2-CD1 3.94Å; V58-F128 HydrophobicContact CB-CZ 4.48Å; V58-F128 HydrophobicContact CG1-CE1 4.28Å; V58-F128 HydrophobicContact CG1-CZ 4.01Å |
| 59 | E | 90.1 | Very high | 89.2 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 175.7 | -171.8 | 175.3 | -171.5 | 0 | 0 | 112.2 | L55 Q57 E61 L62 L63 F128 M132 R136 | L55-E59 PolarHBondContact O-N 3.33Å; Q57-E59 VanDerWaalsContact C-N 3.29Å; Q57-E59 PolarHBondContact O-N 3.5Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.14Å; E59-L62 PolarHBondContact O-N 3.17Å; E59-L63 WeakPolarHBondContact O-CG 3.46Å; E59-L63 PolarHBondContact O-N 2.72Å; E59-F128 HydrophobicContact CB-CE1 3.98Å; E59-F128 HydrophobicContact CG-CE1 4.49Å; E59-M132 HydrophobicContact CB-CE 4.45Å; E59-M132 HydrophobicContact CB-CG 4.38Å; E59-M132 HydrophobicContact CG-CG 4.27Å; E59-M132 WeakPolarHBondContact OE2-CB 3.31Å; E59-M132 WeakPolarHBondContact OE2-CE 3.34Å; E59-R136 IonicContact OE1-NH2 3.69Å; E59-R136 IonicContact OE2-CZ 3.99Å; E59-R136 IonicContact OE2-NH2 3.65Å; E59-R136 PolarHBondContact OE2-NH2 2.94Å |
| 60 | K | 91.2 | Very high | 89 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.9 | -69.3 | 174.1 | -175.8 | 176.6 | 0 | 112 | E56 Q57 V58 L63 R64 | E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 2.84Å; E56-K60 WeakPolarHBondContact OE1-CE 3.31Å; Q57-K60 PolarHBondContact O-N 3.03Å; V58-K60 PolarHBondContact O-N 2.9Å; K60-L63 PolarHBondContact O-N 2.89Å; K60-R64 PolarHBondContact O-N 3.07Å; K60-R64 VanDerWaalsContact O-N 3.16Å |
| 61 | E | 91.4 | Very high | 88.9 | Confident | 19 Ų | 19 | 69 Ų | 69 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 176.3 | -69 | 175.3 | -176 | 0 | 0 | 111.4 | Q57 V58 E59 L63 R64 V65 F101 S102 T105 | Q57-E61 WeakPolarHBondContact CG-OE1 3.48Å; Q57-E61 PolarHBondContact NE2-OE1 2.94Å; Q57-E61 WeakPolarHBondContact O-CG 3.46Å; Q57-E61 PolarHBondContact O-N 3Å; V58-E61 PolarHBondContact O-N 3Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.37Å; E61-R64 WeakPolarHBondContact O-CB 3.43Å; E61-R64 PolarHBondContact O-N 2.77Å; E61-V65 WeakPolarHBondContact O-CG2 3.18Å; E61-V65 PolarHBondContact O-N 3.29Å; E61-F101 HydrophobicContact CB-CD1 4.01Å; E61-F101 HydrophobicContact CB-CE1 4.47Å; E61-F101 HydrophobicContact CG-CD1 3.94Å; E61-S102 VanDerWaalsContact CD-N 3.34Å; E61-S102 WeakPolarHBondContact OE1-CB 3.39Å; E61-S102 PolarHBondContact OE1-N 3.03Å; E61-S102 VanDerWaalsContact OE1-N 3.14Å; E61-S102 WeakPolarHBondContact OE2-CB 3.27Å; E61-S102 PolarHBondContact OE2-N 2.9Å; E61-S102 PolarHBondContact OE2-OG 3.34Å; E61-T105 HydrophobicContact CB-CG2 4.2Å; E61-T105 WeakPolarHBondContact OE2-CB 3.37Å; E61-T105 PolarHBondContact OE2-OG1 3.39Å |
| 62 | L | 90.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 176.6 | -76 | 178.4 | 0 | 0 | 0 | 113.1 | L45 V58 E59 R64 V65 A66 T105 L108 V125 F128 | L45-L62 HydrophobicContact CD2-CD1 3.66Å; L45-L62 HydrophobicContact CD2-CD2 4.33Å; L45-L62 HydrophobicContact CD2-CG 4.41Å; V58-L62 HydrophobicContact CG1-CD1 4.09Å; V58-L62 HydrophobicContact CG1-CG 4.22Å; V58-L62 WeakPolarHBondContact O-CB 3.18Å; V58-L62 VanDerWaalsContact O-CG 3.26Å; V58-L62 WeakPolarHBondContact O-CG 3.35Å; V58-L62 PolarHBondContact O-N 3.34Å; E59-L62 PolarHBondContact O-N 3.17Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-V65 PolarHBondContact O-N 3.4Å; L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 3.41Å; L62-T105 HydrophobicContact CD2-CG2 4.36Å; L62-L108 HydrophobicContact CD2-CD2 3.69Å; L62-V125 HydrophobicContact CB-CG1 4.16Å; L62-V125 HydrophobicContact CB-CG2 4.14Å; L62-V125 HydrophobicContact CD2-CG2 4.17Å; L62-F128 HydrophobicContact CD1-CB 3.91Å; L62-F128 HydrophobicContact CD1-CD1 3.42Å; L62-F128 VanDerWaalsContact CD1-CD1 3.42Å; L62-F128 HydrophobicContact CD1-CD2 4.26Å; L62-F128 HydrophobicContact CD1-CE1 3.94Å; L62-F128 HydrophobicContact CD1-CG 3.59Å |
| 63 | L | 90.4 | Very high | 88.3 | Confident | 81 Ų | 81 | 73 Ų | 73 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.5 | -69.2 | 175 | 0 | 0 | 0 | 111.4 | E59 K60 E61 A66 Q67 V125 | E59-L63 WeakPolarHBondContact O-CG 3.46Å; E59-L63 PolarHBondContact O-N 2.72Å; K60-L63 PolarHBondContact O-N 2.89Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.37Å; L63-A66 PolarHBondContact O-N 3.3Å; L63-Q67 WeakPolarHBondContact O-CG 3.44Å; L63-Q67 PolarHBondContact O-N 3.49Å; L63-Q67 VanDerWaalsContact O-N 3.09Å; L63-V125 HydrophobicContact CD2-CG1 4.39Å |
| 64 | R | 89.8 | Confident | 88 | Confident | 140 Ų | 140 | 67.2 Ų | 67.2 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 172.7 | -71.3 | -173.6 | -175 | -174.4 | 2.6 | 111.8 | K60 E61 L62 A66 Q67 I68 E99 F101 | K60-R64 PolarHBondContact O-N 3.07Å; K60-R64 VanDerWaalsContact O-N 3.16Å; E61-R64 WeakPolarHBondContact O-CB 3.43Å; E61-R64 PolarHBondContact O-N 2.77Å; L62-R64 VanDerWaalsContact C-N 3.34Å; R64-A66 VanDerWaalsContact C-N 3.26Å; R64-A66 PolarHBondContact O-N 3.47Å; R64-Q67 WeakPolarHBondContact O-CA 3.11Å; R64-Q67 WeakPolarHBondContact O-CB 3.42Å; R64-Q67 PolarHBondContact O-N 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.43Å; R64-I68 PolarHBondContact O-N 3.32Å; R64-E99 IonicContact NH1-OE2 3.95Å; R64-F101 HydrophobicContact CB-CE1 4.26Å; R64-F101 HydrophobicContact CB-CZ 4.45Å |
| 65 | V | 88.1 | Confident | 87.6 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 175.4 | 172 | 0 | 0 | 0 | 0 | 110.8 | E61 L62 Q67 I68 L69 F101 T105 I109 | E61-V65 WeakPolarHBondContact O-CG2 3.18Å; E61-V65 PolarHBondContact O-N 3.29Å; L62-V65 PolarHBondContact O-N 3.4Å; V65-Q67 VanDerWaalsContact C-N 3.28Å; V65-Q67 PolarHBondContact O-N 2.77Å; V65-I68 PolarHBondContact O-N 3.47Å; V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 HydrophobicContact CG1-CG 4.11Å; V65-L69 WeakPolarHBondContact O-CB 3.16Å; V65-L69 VanDerWaalsContact O-CG 3.25Å; V65-L69 WeakPolarHBondContact O-CG 3.31Å; V65-L69 PolarHBondContact O-N 3.42Å; V65-F101 HydrophobicContact CG2-CD2 4.17Å; V65-F101 HydrophobicContact CG2-CE1 4.4Å; V65-F101 HydrophobicContact CG2-CE2 3.63Å; V65-F101 HydrophobicContact CG2-CZ 3.76Å; V65-T105 HydrophobicContact CG2-CG2 4.04Å; V65-I109 HydrophobicContact CG1-CD1 3.73Å; V65-I109 HydrophobicContact CG1-CG1 4.36Å |
| 66 | A | 87.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -33.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L62 L63 R64 K70 V125 | L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 3.41Å; L63-A66 PolarHBondContact O-N 3.3Å; R64-A66 VanDerWaalsContact C-N 3.26Å; R64-A66 PolarHBondContact O-N 3.47Å; A66-K70 VanDerWaalsContact O-CG 3.31Å; A66-K70 WeakPolarHBondContact O-CG 3.31Å; A66-K70 PolarHBondContact O-N 3.06Å; A66-V125 HydrophobicContact CB-CB 4.37Å; A66-V125 HydrophobicContact CB-CG1 3.97Å; A66-V125 HydrophobicContact CB-CG2 4.26Å |
| 67 | Q | 88.3 | Confident | 87.1 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.6 | -47.1 | 173.5 | -69.9 | 173.1 | -16.5 | 0 | 0 | 111.4 | L63 R64 V65 L69 K70 | L63-Q67 WeakPolarHBondContact O-CG 3.44Å; L63-Q67 PolarHBondContact O-N 3.49Å; L63-Q67 VanDerWaalsContact O-N 3.09Å; R64-Q67 WeakPolarHBondContact O-CA 3.11Å; R64-Q67 WeakPolarHBondContact O-CB 3.42Å; R64-Q67 PolarHBondContact O-N 3.28Å; V65-Q67 VanDerWaalsContact C-N 3.28Å; V65-Q67 PolarHBondContact O-N 2.77Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 3.08Å; Q67-K70 WeakPolarHBondContact O-CB 3.5Å; Q67-K70 PolarHBondContact O-N 3.4Å |
| 68 | I | 86.9 | Confident | 86.6 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.6 | -63.3 | 165.1 | 0 | 0 | 0 | 110.9 | R64 V65 K70 E71 V74 I95 E99 F101 | R64-I68 WeakPolarHBondContact O-CG1 3.43Å; R64-I68 PolarHBondContact O-N 3.32Å; V65-I68 PolarHBondContact O-N 3.47Å; I68-K70 PolarHBondContact O-N 3.43Å; I68-E71 WeakPolarHBondContact O-CB 3.34Å; I68-E71 PolarHBondContact O-N 3.02Å; I68-E71 VanDerWaalsContact O-N 3.09Å; I68-V74 HydrophobicContact CG2-CG2 4.4Å; I68-I95 HydrophobicContact CD1-CG2 4.43Å; I68-I95 HydrophobicContact CG2-CG2 4.15Å; I68-E99 HydrophobicContact CD1-CG 3.95Å; I68-F101 HydrophobicContact CD1-CE2 4.46Å; I68-F101 HydrophobicContact CD1-CZ 3.97Å |
| 69 | L | 83.8 | Confident | 86.1 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.1 | 178 | -70.9 | 176 | 0 | 0 | 0 | 113.6 | V65 Q67 V74 V78 A121 | V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 HydrophobicContact CG1-CG 4.11Å; V65-L69 WeakPolarHBondContact O-CB 3.16Å; V65-L69 VanDerWaalsContact O-CG 3.25Å; V65-L69 WeakPolarHBondContact O-CG 3.31Å; V65-L69 PolarHBondContact O-N 3.42Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 3.08Å; L69-V74 HydrophobicContact CD2-CG1 4.06Å; L69-V78 HydrophobicContact CD2-CG2 4.24Å; L69-A121 HydrophobicContact CD1-CB 3.61Å |
| 70 | K | 85.5 | Confident | 85.9 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.7 | 173.1 | -76.2 | 174.2 | -179.3 | -174.5 | 0 | 112.7 | A66 Q67 I68 | A66-K70 VanDerWaalsContact O-CG 3.31Å; A66-K70 WeakPolarHBondContact O-CG 3.31Å; A66-K70 PolarHBondContact O-N 3.06Å; Q67-K70 WeakPolarHBondContact O-CB 3.5Å; Q67-K70 PolarHBondContact O-N 3.4Å; I68-K70 PolarHBondContact O-N 3.43Å |
| 71 | E | 87.6 | Confident | 85.4 | Confident | 106 Ų | 106 | 70 Ų | 70 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -62.6 | 132.2 | 176.5 | -65.8 | -173.5 | 175.5 | 0 | 0 | 110.4 | I68 K73 V74 A75 | I68-E71 WeakPolarHBondContact O-CB 3.34Å; I68-E71 PolarHBondContact O-N 3.02Å; I68-E71 VanDerWaalsContact O-N 3.09Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.85Å; E71-K73 VanDerWaalsContact O-N 3.17Å; E71-V74 HydrophobicContact CB-CB 4.43Å; E71-V74 HydrophobicContact CB-CG2 4.23Å; E71-V74 PolarHBondContact O-N 3.35Å; E71-V74 VanDerWaalsContact O-N 3.07Å; E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 2.97Å |
| 72 | P | 83.3 | Confident | 84.9 | Confident | 108 Ų | 108 | 79 Ų | 79 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.8 | -34 | -169.6 | 23 | -33.7 | 0 | 0 | 0 | 112.7 | A76 | P72-A76 WeakPolarHBondContact O-CB 3.35Å; P72-A76 PolarHBondContact O-N 3.06Å |
| 73 | K | 83.6 | Confident | 84.6 | Confident | 176 Ų | 176 | 81 Ų | 81 | 77% | 0.765 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 177.6 | -64.9 | -179.4 | 179.9 | 177.2 | 0 | 111.9 | E71 S77 | E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 2.85Å; E71-K73 VanDerWaalsContact O-N 3.17Å; K73-S77 PolarHBondContact O-N 2.81Å; K73-S77 PolarHBondContact O-OG 3.02Å |
| 74 | V | 81.7 | Confident | 84.4 | Confident | 22 Ų | 22 | 84.3 Ų | 84.3 | 13% | 0.133 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -73.7 | -46.7 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | I68 L69 E71 A76 S77 V78 | I68-V74 HydrophobicContact CG2-CG2 4.4Å; L69-V74 HydrophobicContact CD2-CG1 4.06Å; E71-V74 HydrophobicContact CB-CB 4.43Å; E71-V74 HydrophobicContact CB-CG2 4.23Å; E71-V74 PolarHBondContact O-N 3.35Å; E71-V74 VanDerWaalsContact O-N 3.07Å; V74-A76 PolarHBondContact O-N 3.42Å; V74-S77 WeakPolarHBondContact O-CB 3.35Å; V74-S77 PolarHBondContact O-N 3.36Å; V74-S77 VanDerWaalsContact O-N 3.14Å; V74-V78 HydrophobicContact CG1-CG2 4.24Å; V74-V78 WeakPolarHBondContact O-CB 3.25Å; V74-V78 VanDerWaalsContact O-CG2 3.3Å; V74-V78 WeakPolarHBondContact O-CG2 3.19Å; V74-V78 PolarHBondContact O-N 3.4Å |
| 75 | A | 82.9 | Confident | 84.1 | Confident | 26 Ų | 26 | 83.7 Ų | 83.7 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E71 S77 V78 L79 | E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 2.97Å; A75-S77 VanDerWaalsContact C-N 3.32Å; A75-S77 PolarHBondContact O-N 3.13Å; A75-V78 PolarHBondContact O-N 2.9Å; A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 VanDerWaalsContact O-CG 3.32Å; A75-L79 WeakPolarHBondContact O-CG 3.34Å; A75-L79 PolarHBondContact O-N 2.9Å |
| 76 | A | 83.3 | Confident | 84 | Confident | 61 Ų | 61 | 86.7 Ų | 86.7 | 50% | 0.504 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P72 V74 N80 | P72-A76 WeakPolarHBondContact O-CB 3.35Å; P72-A76 PolarHBondContact O-N 3.06Å; V74-A76 PolarHBondContact O-N 3.42Å; A76-N80 WeakPolarHBondContact O-CB 3.27Å; A76-N80 PolarHBondContact O-N 3.47Å |
| 77 | S | 81.2 | Confident | 83.9 | Confident | 67 Ų | 67 | 90.1 Ų | 90.1 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | K73 V74 A75 K88 | K73-S77 PolarHBondContact O-N 2.81Å; K73-S77 PolarHBondContact O-OG 3.02Å; V74-S77 WeakPolarHBondContact O-CB 3.35Å; V74-S77 PolarHBondContact O-N 3.36Å; V74-S77 VanDerWaalsContact O-N 3.14Å; A75-S77 VanDerWaalsContact C-N 3.32Å; A75-S77 PolarHBondContact O-N 3.13Å; S77-K88 VanDerWaalsContact O-CE 3.29Å; S77-K88 WeakPolarHBondContact O-CE 3.2Å |
| 78 | V | 81.1 | Confident | 83.7 | Confident | 21 Ų | 21 | 85.3 Ų | 85.3 | 13% | 0.127 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -70.4 | -46.7 | 178.2 | 166.5 | 0 | 0 | 0 | 0 | 111.2 | L69 V74 A75 K88 L118 | L69-V78 HydrophobicContact CD2-CG2 4.24Å; V74-V78 HydrophobicContact CG1-CG2 4.24Å; V74-V78 WeakPolarHBondContact O-CB 3.25Å; V74-V78 VanDerWaalsContact O-CG2 3.3Å; V74-V78 WeakPolarHBondContact O-CG2 3.19Å; V74-V78 PolarHBondContact O-N 3.4Å; A75-V78 PolarHBondContact O-N 2.9Å; V78-K88 PolarHBondContact O-NZ 2.68Å; V78-L118 HydrophobicContact CG1-CB 3.44Å; V78-L118 VanDerWaalsContact CG1-CB 3.44Å; V78-L118 HydrophobicContact CG1-CD1 4.38Å; V78-L118 HydrophobicContact CG2-CD1 4.49Å |
| 79 | L | 80.8 | Confident | 83.7 | Confident | 121 Ų | 121 | 85.1 Ų | 85.1 | 63% | 0.634 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -75.6 | -24.3 | -176.5 | -67.4 | 166.1 | 0 | 0 | 0 | 113 | A75 P81 | A75-L79 WeakPolarHBondContact O-CB 3.41Å; A75-L79 VanDerWaalsContact O-CG 3.32Å; A75-L79 WeakPolarHBondContact O-CG 3.34Å; A75-L79 PolarHBondContact O-N 2.9Å; L79-P81 VanDerWaalsContact O-CD 3.27Å; L79-P81 WeakPolarHBondContact O-CD 3.32Å |
| 80 | N | 84.2 | Confident | 83.8 | Confident | 64 Ų | 64 | 91.3 Ų | 91.3 | 34% | 0.342 | 47% | 0.467 | S | S | . | . | trans | -68.6 | 116.4 | -179.3 | -174.9 | -14.2 | 0 | 0 | 0 | 111.8 | A76 Y82 V83 K88 | A76-N80 WeakPolarHBondContact O-CB 3.27Å; A76-N80 PolarHBondContact O-N 3.47Å; N80-Y82 VanDerWaalsContact C-N 3.33Å; N80-Y82 PolarHBondContact O-N 3.04Å; N80-Y82 WeakPolarHBondContact OD1-CB 3.41Å; N80-Y82 VanDerWaalsContact OD1-CD2 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.28Å; N80-Y82 PolarHBondContact OD1-N 3.39Å; N80-V83 HydrophobicContact CB-CG2 4.17Å; N80-K88 WeakPolarHBondContact O-CE 3.44Å; N80-K88 PolarHBondContact O-NZ 3.18Å | ||
| 81 | P | 80.9 | Confident | 83.8 | Confident | 108 Ų | 108 | 87.1 Ų | 87.1 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19 | -179.4 | 31 | -35.4 | 0 | 0 | 0 | 113.8 | L79 V83 | L79-P81 VanDerWaalsContact O-CD 3.27Å; L79-P81 WeakPolarHBondContact O-CD 3.32Å; P81-V83 VanDerWaalsContact C-N 3.26Å; P81-V83 PolarHBondContact O-N 3.39Å |
| 82 | Y | 82.4 | Confident | 83.7 | Confident | 209 Ų | 209 | 82.7 Ų | 82.7 | 82% | 0.82 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -18.3 | -179.4 | -62.9 | -78.6 | 0 | 0 | 0 | 113.1 | N80 K84 | N80-Y82 VanDerWaalsContact C-N 3.33Å; N80-Y82 PolarHBondContact O-N 3.04Å; N80-Y82 WeakPolarHBondContact OD1-CB 3.41Å; N80-Y82 VanDerWaalsContact OD1-CD2 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.28Å; N80-Y82 PolarHBondContact OD1-N 3.39Å; Y82-K84 PolarHBondContact O-N 2.96Å |
| 83 | V | 83.4 | Confident | 83.9 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -78 | 119.1 | 176.9 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | N80 P81 R85 I87 K88 | N80-V83 HydrophobicContact CB-CG2 4.17Å; P81-V83 VanDerWaalsContact C-N 3.26Å; P81-V83 PolarHBondContact O-N 3.39Å; V83-R85 PolarHBondContact O-N 2.94Å; V83-I87 HydrophobicContact CG1-CB 4.22Å; V83-I87 HydrophobicContact CG1-CG2 4.25Å; V83-K88 HydrophobicContact CB-CG 4.39Å; V83-K88 HydrophobicContact CG1-CG 3.77Å; V83-K88 WeakPolarHBondContact O-CE 3.48Å |
| 84 | K | 85.9 | Confident | 84.1 | Confident | 151 Ų | 151 | 76.3 Ų | 76.3 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | trans | -54.7 | 137.9 | 177.9 | -67.6 | -177.6 | 179.5 | 177.7 | 0 | 111 | Y82 S86 I87 K88 | Y82-K84 PolarHBondContact O-N 2.96Å; K84-S86 PolarHBondContact O-N 3.12Å; K84-I87 HydrophobicContact CB-CD1 4.1Å; K84-I87 HydrophobicContact CB-CG1 4.22Å; K84-I87 WeakPolarHBondContact O-CB 3.26Å; K84-I87 PolarHBondContact O-N 3.03Å; K84-K88 PolarHBondContact O-N 3.37Å | ||
| 85 | R | 84.3 | Confident | 84.2 | Confident | 126 Ų | 126 | 77.5 Ų | 77.5 | 48% | 0.475 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.5 | -39.6 | 179.4 | -179.5 | -176.7 | -103.6 | 161.7 | 5.4 | 112.9 | V83 I87 K88 V89 A113 E114 N115 | V83-R85 PolarHBondContact O-N 2.94Å; R85-I87 VanDerWaalsContact C-N 3.27Å; R85-I87 PolarHBondContact O-N 3.34Å; R85-K88 PolarHBondContact O-N 3.22Å; R85-K88 VanDerWaalsContact O-N 3.15Å; R85-V89 HydrophobicContact CG-CG2 4.27Å; R85-V89 WeakPolarHBondContact O-CG2 3.41Å; R85-V89 PolarHBondContact O-N 3.05Å; R85-A113 WeakPolarHBondContact CG-O 3.4Å; R85-A113 PolarHBondContact NE-O 2.97Å; R85-E114 VanDerWaalsContact NE-C 3.28Å; R85-E114 PolarHBondContact NE-O 3.39Å; R85-E114 PolarHBondContact NH1-O 2.87Å; R85-E114 PolarHBondContact NH2-O 2.87Å; R85-N115 VanDerWaalsContact NH2-CA 3.28Å; R85-N115 PolarHBondContact NH2-O 3.29Å |
| 86 | S | 85.3 | Confident | 84.3 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | K84 K90 | K84-S86 PolarHBondContact O-N 3.12Å; S86-K90 WeakPolarHBondContact O-CG 3.49Å; S86-K90 PolarHBondContact O-N 3.29Å; S86-K90 VanDerWaalsContact O-N 3.14Å |
| 87 | I | 85.9 | Confident | 84.4 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.9 | -44.3 | 176.3 | -58.5 | 173.8 | 0 | 0 | 0 | 109.5 | V83 K84 R85 V89 K90 S91 | V83-I87 HydrophobicContact CG1-CB 4.22Å; V83-I87 HydrophobicContact CG1-CG2 4.25Å; K84-I87 HydrophobicContact CB-CD1 4.1Å; K84-I87 HydrophobicContact CB-CG1 4.22Å; K84-I87 WeakPolarHBondContact O-CB 3.26Å; K84-I87 PolarHBondContact O-N 3.03Å; R85-I87 VanDerWaalsContact C-N 3.27Å; R85-I87 PolarHBondContact O-N 3.34Å; I87-V89 PolarHBondContact O-N 2.93Å; I87-K90 PolarHBondContact O-N 2.81Å; I87-S91 PolarHBondContact O-N 2.99Å; I87-S91 PolarHBondContact O-OG 3.14Å; I87-S91 VanDerWaalsContact O-OG 3.11Å |
| 88 | K | 84.1 | Confident | 84.7 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 176.7 | -61.6 | -170.9 | 179.6 | -176 | 0 | 112.5 | S77 V78 N80 V83 K84 R85 S91 L92 L118 | S77-K88 VanDerWaalsContact O-CE 3.29Å; S77-K88 WeakPolarHBondContact O-CE 3.2Å; V78-K88 PolarHBondContact O-NZ 2.68Å; N80-K88 WeakPolarHBondContact O-CE 3.44Å; N80-K88 PolarHBondContact O-NZ 3.18Å; V83-K88 HydrophobicContact CB-CG 4.39Å; V83-K88 HydrophobicContact CG1-CG 3.77Å; V83-K88 WeakPolarHBondContact O-CE 3.48Å; K84-K88 PolarHBondContact O-N 3.37Å; R85-K88 PolarHBondContact O-N 3.22Å; R85-K88 VanDerWaalsContact O-N 3.15Å; K88-S91 PolarHBondContact O-N 3.22Å; K88-L92 WeakPolarHBondContact O-CB 3.43Å; K88-L92 VanDerWaalsContact O-CG 3.27Å; K88-L92 WeakPolarHBondContact O-CG 3.35Å; K88-L92 PolarHBondContact O-N 3.1Å; K88-L118 HydrophobicContact CB-CD1 4.46Å; K88-L118 HydrophobicContact CD-CD1 4.31Å |
| 89 | V | 86.3 | Confident | 84.7 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 14% | 0.139 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | R85 I87 L92 N93 A113 E114 | R85-V89 HydrophobicContact CG-CG2 4.27Å; R85-V89 WeakPolarHBondContact O-CG2 3.41Å; R85-V89 PolarHBondContact O-N 3.05Å; I87-V89 PolarHBondContact O-N 2.93Å; V89-L92 PolarHBondContact O-N 3.47Å; V89-N93 WeakPolarHBondContact CG1-ND2 3.35Å; V89-N93 WeakPolarHBondContact O-CB 3.42Å; V89-N93 PolarHBondContact O-N 3.36Å; V89-N93 PolarHBondContact O-ND2 3.21Å; V89-A113 HydrophobicContact CB-CB 4.46Å; V89-A113 HydrophobicContact CG2-CB 3.59Å; V89-E114 HydrophobicContact CG2-CG 4.16Å |
| 90 | K | 87 | Confident | 85 | Confident | 146 Ų | 146 | 90 Ų | 90 | 64% | 0.635 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.6 | -50.8 | 176.9 | -74 | -179.4 | 179 | -169.5 | 0 | 111.9 | S86 I87 L92 N93 D94 | S86-K90 WeakPolarHBondContact O-CG 3.49Å; S86-K90 PolarHBondContact O-N 3.29Å; S86-K90 VanDerWaalsContact O-N 3.14Å; I87-K90 PolarHBondContact O-N 2.81Å; K90-L92 VanDerWaalsContact C-N 3.29Å; K90-L92 PolarHBondContact O-N 3.38Å; K90-N93 WeakPolarHBondContact O-CB 3.41Å; K90-N93 PolarHBondContact O-N 2.88Å; K90-N93 VanDerWaalsContact O-N 3.09Å; K90-D94 VanDerWaalsContact O-CG 3.27Å; K90-D94 PolarHBondContact O-N 3.17Å |
| 91 | S | 85.5 | Confident | 85.1 | Confident | 56 Ų | 56 | 88 Ų | 88 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | I87 K88 D94 I95 | I87-S91 PolarHBondContact O-N 2.99Å; I87-S91 PolarHBondContact O-OG 3.14Å; I87-S91 VanDerWaalsContact O-OG 3.11Å; K88-S91 PolarHBondContact O-N 3.22Å; S91-D94 PolarHBondContact O-N 2.82Å; S91-I95 WeakPolarHBondContact O-CD1 3.2Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.44Å; S91-I95 PolarHBondContact O-N 3.36Å |
| 92 | L | 84.7 | Confident | 85.5 | Confident | 14 Ų | 14 | 83.1 Ų | 83.1 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 176.8 | -71.1 | 169.7 | 0 | 0 | 0 | 112.7 | K88 V89 K90 I95 T96 I109 A113 L118 | K88-L92 WeakPolarHBondContact O-CB 3.43Å; K88-L92 VanDerWaalsContact O-CG 3.27Å; K88-L92 WeakPolarHBondContact O-CG 3.35Å; K88-L92 PolarHBondContact O-N 3.1Å; V89-L92 PolarHBondContact O-N 3.47Å; K90-L92 VanDerWaalsContact C-N 3.29Å; K90-L92 PolarHBondContact O-N 3.38Å; L92-I95 HydrophobicContact CD2-CD1 4.43Å; L92-I95 PolarHBondContact O-N 2.77Å; L92-T96 VanDerWaalsContact O-CB 3.26Å; L92-T96 WeakPolarHBondContact O-CB 3.5Å; L92-T96 PolarHBondContact O-N 2.81Å; L92-T96 PolarHBondContact O-OG1 3.32Å; L92-I109 HydrophobicContact CB-CG2 3.98Å; L92-I109 HydrophobicContact CD1-CG2 3.94Å; L92-I109 HydrophobicContact CD2-CG2 4.14Å; L92-I109 HydrophobicContact CG-CG2 4.24Å; L92-A113 HydrophobicContact CD1-CB 3.71Å; L92-L118 HydrophobicContact CD1-CD1 3.62Å; L92-L118 HydrophobicContact CD1-CD2 3.56Å; L92-L118 HydrophobicContact CD1-CG 4.24Å |
| 93 | N | 87 | Confident | 85.9 | Confident | 53 Ų | 53 | 76.9 Ų | 76.9 | 28% | 0.283 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 171 | -80.4 | -56 | 0 | 0 | 0 | 111.6 | V89 K90 I95 T96 A97 N110 | V89-N93 WeakPolarHBondContact CG1-ND2 3.35Å; V89-N93 WeakPolarHBondContact O-CB 3.42Å; V89-N93 PolarHBondContact O-N 3.36Å; V89-N93 PolarHBondContact O-ND2 3.21Å; K90-N93 WeakPolarHBondContact O-CB 3.41Å; K90-N93 PolarHBondContact O-N 2.88Å; K90-N93 VanDerWaalsContact O-N 3.09Å; N93-I95 VanDerWaalsContact C-N 3.35Å; N93-I95 PolarHBondContact O-N 2.93Å; N93-T96 PolarHBondContact O-N 3.46Å; N93-A97 VanDerWaalsContact O-CB 3.31Å; N93-A97 WeakPolarHBondContact O-CB 3.45Å; N93-A97 PolarHBondContact O-N 3.15Å; N93-N110 VanDerWaalsContact CG-OD1 3.24Å; N93-N110 PolarHBondContact ND2-OD1 3.41Å; N93-N110 VanDerWaalsContact OD1-CG 3.31Å; N93-N110 PolarHBondContact OD1-ND2 3.32Å; N93-N110 PolarHBondContact OD1-OD1 3.46Å |
| 94 | D | 87.4 | Confident | 86.2 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.4 | -61.7 | -32.4 | 0 | 0 | 0 | 111.5 | K90 S91 K98 | K90-D94 VanDerWaalsContact O-CG 3.27Å; K90-D94 PolarHBondContact O-N 3.17Å; S91-D94 PolarHBondContact O-N 2.82Å; D94-K98 VanDerWaalsContact O-CG 3.25Å; D94-K98 WeakPolarHBondContact O-CG 3.49Å; D94-K98 PolarHBondContact O-N 3.48Å; D94-K98 VanDerWaalsContact O-N 3.08Å |
| 95 | I | 85.4 | Confident | 86.5 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175 | -68.6 | 163.5 | 0 | 0 | 0 | 110.5 | I68 S91 L92 N93 A97 K98 E99 | I68-I95 HydrophobicContact CD1-CG2 4.43Å; I68-I95 HydrophobicContact CG2-CG2 4.15Å; S91-I95 WeakPolarHBondContact O-CD1 3.2Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.44Å; S91-I95 PolarHBondContact O-N 3.36Å; L92-I95 HydrophobicContact CD2-CD1 4.43Å; L92-I95 PolarHBondContact O-N 2.77Å; N93-I95 VanDerWaalsContact C-N 3.35Å; N93-I95 PolarHBondContact O-N 2.93Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 3.49Å; I95-K98 PolarHBondContact O-N 3.34Å; I95-E99 PolarHBondContact O-N 2.93Å; I95-E99 VanDerWaalsContact O-N 3.1Å |
| 96 | T | 84.7 | Confident | 86.8 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | -178.9 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | L92 N93 R100 F101 T106 | L92-T96 VanDerWaalsContact O-CB 3.26Å; L92-T96 WeakPolarHBondContact O-CB 3.5Å; L92-T96 PolarHBondContact O-N 2.81Å; L92-T96 PolarHBondContact O-OG1 3.32Å; N93-T96 PolarHBondContact O-N 3.46Å; T96-R100 PolarHBondContact O-N 2.93Å; T96-F101 HydrophobicContact CG2-CB 3.89Å; T96-F101 HydrophobicContact CG2-CD2 3.63Å; T96-F101 HydrophobicContact CG2-CG 4.22Å; T96-F101 PolarHBondContact O-N 3.27Å; T96-T106 HydrophobicContact CG2-CG2 3.56Å; T96-T106 WeakPolarHBondContact CG2-OG1 3.4Å |
| 97 | A | 85.6 | Confident | 87.1 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 60% | 0.595 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | N93 I95 R100 | N93-A97 VanDerWaalsContact O-CB 3.31Å; N93-A97 WeakPolarHBondContact O-CB 3.45Å; N93-A97 PolarHBondContact O-N 3.15Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 3.49Å; A97-R100 PolarHBondContact O-N 3.25Å |
| 98 | K | 86.4 | Confident | 87.3 | Confident | 176 Ų | 176 | 61.1 Ų | 61.1 | 77% | 0.765 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 175.3 | -75.1 | 172.3 | -178.2 | -177.6 | 0 | 112.3 | D94 I95 R100 | D94-K98 VanDerWaalsContact O-CG 3.25Å; D94-K98 WeakPolarHBondContact O-CG 3.49Å; D94-K98 PolarHBondContact O-N 3.48Å; D94-K98 VanDerWaalsContact O-N 3.08Å; I95-K98 PolarHBondContact O-N 3.34Å; K98-R100 VanDerWaalsContact C-N 3.34Å |
| 99 | E | 82.5 | Confident | 87.6 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -79.8 | -12.9 | -179.7 | -75.8 | -84.5 | 151.5 | 0 | 0 | 113.9 | R64 I68 I95 F101 | R64-E99 IonicContact NH1-OE2 3.95Å; I68-E99 HydrophobicContact CD1-CG 3.95Å; I95-E99 PolarHBondContact O-N 2.93Å; I95-E99 VanDerWaalsContact O-N 3.1Å; E99-F101 HydrophobicContact CB-CD1 4.11Å; E99-F101 HydrophobicContact CB-CD2 4.09Å; E99-F101 HydrophobicContact CB-CE1 3.67Å; E99-F101 HydrophobicContact CB-CE2 3.62Å; E99-F101 HydrophobicContact CB-CG 4.3Å; E99-F101 HydrophobicContact CB-CZ 3.39Å; E99-F101 HydrophobicContact CG-CE1 4.26Å; E99-F101 HydrophobicContact CG-CE2 4.03Å; E99-F101 HydrophobicContact CG-CZ 3.64Å |
| 100 | R | 85.3 | Confident | 87.8 | Confident | 222 Ų | 222 | 59.9 Ų | 59.9 | 84% | 0.838 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 48.4 | -177 | -57.4 | 179.5 | 176.8 | 173.3 | -1.2 | 113.5 | T96 A97 K98 | T96-R100 PolarHBondContact O-N 2.93Å; A97-R100 PolarHBondContact O-N 3.25Å; K98-R100 VanDerWaalsContact C-N 3.34Å |
| 101 | F | 88 | Confident | 88 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | trans | -67.5 | 158 | 175.8 | -58.9 | -48.8 | 0 | 0 | 0 | 113 | E61 R64 V65 I68 T96 E99 T105 | E61-F101 HydrophobicContact CB-CD1 4.01Å; E61-F101 HydrophobicContact CB-CE1 4.47Å; E61-F101 HydrophobicContact CG-CD1 3.94Å; R64-F101 HydrophobicContact CB-CE1 4.26Å; R64-F101 HydrophobicContact CB-CZ 4.45Å; V65-F101 HydrophobicContact CG2-CD2 4.17Å; V65-F101 HydrophobicContact CG2-CE1 4.4Å; V65-F101 HydrophobicContact CG2-CE2 3.63Å; V65-F101 HydrophobicContact CG2-CZ 3.76Å; I68-F101 HydrophobicContact CD1-CE2 4.46Å; I68-F101 HydrophobicContact CD1-CZ 3.97Å; T96-F101 HydrophobicContact CG2-CB 3.89Å; T96-F101 HydrophobicContact CG2-CD2 3.63Å; T96-F101 HydrophobicContact CG2-CG 4.22Å; T96-F101 PolarHBondContact O-N 3.27Å; E99-F101 HydrophobicContact CB-CD1 4.11Å; E99-F101 HydrophobicContact CB-CD2 4.09Å; E99-F101 HydrophobicContact CB-CE1 3.67Å; E99-F101 HydrophobicContact CB-CE2 3.62Å; E99-F101 HydrophobicContact CB-CG 4.3Å; E99-F101 HydrophobicContact CB-CZ 3.39Å; E99-F101 HydrophobicContact CG-CE1 4.26Å; E99-F101 HydrophobicContact CG-CE2 4.03Å; E99-F101 HydrophobicContact CG-CZ 3.64Å; F101-T105 HydrophobicContact CB-CG2 4.27Å; F101-T105 HydrophobicContact CG-CG2 4.36Å | ||
| 102 | S | 89.5 | Confident | 88.2 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | trans | -61.8 | 153.2 | 174 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | E61 L104 T105 T106 | E61-S102 VanDerWaalsContact CD-N 3.34Å; E61-S102 WeakPolarHBondContact OE1-CB 3.39Å; E61-S102 PolarHBondContact OE1-N 3.03Å; E61-S102 VanDerWaalsContact OE1-N 3.14Å; E61-S102 WeakPolarHBondContact OE2-CB 3.27Å; E61-S102 PolarHBondContact OE2-N 2.9Å; E61-S102 PolarHBondContact OE2-OG 3.34Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 VanDerWaalsContact O-N 3.09Å; S102-T105 PolarHBondContact O-N 3.32Å; S102-T105 VanDerWaalsContact O-N 3.08Å; S102-T105 PolarHBondContact OG-N 2.91Å; S102-T105 PolarHBondContact OG-OG1 3Å; S102-T106 PolarHBondContact O-N 2.82Å; S102-T106 PolarHBondContact O-OG1 3.04Å | ||
| 103 | P | 89.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 51% | 0.506 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -26.4 | 179.3 | 24.2 | -35.1 | 0 | 0 | 0 | 112.8 | N107 | P103-N107 VanDerWaalsContact O-CB 3.24Å; P103-N107 WeakPolarHBondContact O-CB 3.44Å; P103-N107 PolarHBondContact O-N 2.92Å; P103-N107 PolarHBondContact O-ND2 2.92Å; P103-N107 VanDerWaalsContact O-ND2 3.08Å |
| 104 | L | 90.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -48.5 | 175.9 | -68.8 | 178.6 | 0 | 0 | 0 | 111.6 | L45 A48 A49 V58 S102 L108 | L45-L104 HydrophobicContact CD1-CB 4.42Å; A48-L104 HydrophobicContact CB-CD2 3.95Å; A49-L104 HydrophobicContact CB-CD1 4Å; V58-L104 HydrophobicContact CG2-CB 4.16Å; V58-L104 HydrophobicContact CG2-CD1 3.94Å; S102-L104 PolarHBondContact O-N 3.01Å; S102-L104 VanDerWaalsContact O-N 3.09Å; L104-L108 PolarHBondContact O-N 3.41Å |
| 105 | T | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | 178.8 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | E61 L62 V65 F101 S102 N107 L108 I109 | E61-T105 HydrophobicContact CB-CG2 4.2Å; E61-T105 WeakPolarHBondContact OE2-CB 3.37Å; E61-T105 PolarHBondContact OE2-OG1 3.39Å; L62-T105 HydrophobicContact CD2-CG2 4.36Å; V65-T105 HydrophobicContact CG2-CG2 4.04Å; F101-T105 HydrophobicContact CB-CG2 4.27Å; F101-T105 HydrophobicContact CG-CG2 4.36Å; S102-T105 PolarHBondContact O-N 3.32Å; S102-T105 VanDerWaalsContact O-N 3.08Å; S102-T105 PolarHBondContact OG-N 2.91Å; S102-T105 PolarHBondContact OG-OG1 3Å; T105-N107 PolarHBondContact O-N 2.9Å; T105-L108 WeakPolarHBondContact O-CB 3.33Å; T105-L108 PolarHBondContact O-N 3.25Å; T105-I109 WeakPolarHBondContact O-CG1 3.45Å; T105-I109 PolarHBondContact O-N 3.25Å |
| 106 | T | 90.8 | Very high | 88.3 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 176.4 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | T96 S102 L108 I109 N110 | T96-T106 HydrophobicContact CG2-CG2 3.56Å; T96-T106 WeakPolarHBondContact CG2-OG1 3.4Å; S102-T106 PolarHBondContact O-N 2.82Å; S102-T106 PolarHBondContact O-OG1 3.04Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 2.96Å; T106-I109 PolarHBondContact O-N 2.94Å; T106-N110 WeakPolarHBondContact O-CB 3.27Å; T106-N110 PolarHBondContact O-N 3.4Å; T106-N110 PolarHBondContact O-ND2 3.11Å |
| 107 | N | 91.8 | Very high | 88.3 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 179.1 | -70.5 | -18.2 | 0 | 0 | 0 | 111.8 | P103 T105 L111 | P103-N107 VanDerWaalsContact O-CB 3.24Å; P103-N107 WeakPolarHBondContact O-CB 3.44Å; P103-N107 PolarHBondContact O-N 2.92Å; P103-N107 PolarHBondContact O-ND2 2.92Å; P103-N107 VanDerWaalsContact O-ND2 3.08Å; T105-N107 PolarHBondContact O-N 2.9Å; N107-L111 WeakPolarHBondContact O-CB 3.16Å; N107-L111 WeakPolarHBondContact O-CG 3.34Å; N107-L111 PolarHBondContact O-N 3.2Å |
| 108 | L | 91.4 | Very high | 88.3 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 175.2 | -178.2 | 77.2 | 0 | 0 | 0 | 111.6 | L45 L62 L104 T105 T106 N110 L111 L112 V124 | L45-L108 HydrophobicContact CB-CD1 4.39Å; L45-L108 HydrophobicContact CD1-CB 4.27Å; L45-L108 HydrophobicContact CD1-CD1 4.43Å; L45-L108 HydrophobicContact CD1-CD2 4.33Å; L45-L108 HydrophobicContact CD2-CD2 3.63Å; L62-L108 HydrophobicContact CD2-CD2 3.69Å; L104-L108 PolarHBondContact O-N 3.41Å; T105-L108 WeakPolarHBondContact O-CB 3.33Å; T105-L108 PolarHBondContact O-N 3.25Å; T106-L108 VanDerWaalsContact C-N 3.33Å; T106-L108 PolarHBondContact O-N 2.96Å; L108-N110 VanDerWaalsContact C-N 3.34Å; L108-L111 PolarHBondContact O-N 2.94Å; L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.38Å; L108-L112 PolarHBondContact O-N 3.44Å; L108-V124 HydrophobicContact CD2-CG1 4.42Å |
| 109 | I | 89.3 | Confident | 88.2 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | -178.2 | -60.4 | -52.4 | 0 | 0 | 0 | 111 | V65 L92 T105 T106 L112 A113 | V65-I109 HydrophobicContact CG1-CD1 3.73Å; V65-I109 HydrophobicContact CG1-CG1 4.36Å; L92-I109 HydrophobicContact CB-CG2 3.98Å; L92-I109 HydrophobicContact CD1-CG2 3.94Å; L92-I109 HydrophobicContact CD2-CG2 4.14Å; L92-I109 HydrophobicContact CG-CG2 4.24Å; T105-I109 WeakPolarHBondContact O-CG1 3.45Å; T105-I109 PolarHBondContact O-N 3.25Å; T106-I109 PolarHBondContact O-N 2.94Å; I109-L112 HydrophobicContact CD1-CD1 4.35Å; I109-L112 PolarHBondContact O-N 3.17Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.47Å |
| 110 | N | 89.9 | Confident | 88.4 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 171.8 | -79.8 | -26.4 | 0 | 0 | 0 | 111.9 | N93 T106 L108 L112 A113 E114 | N93-N110 VanDerWaalsContact CG-OD1 3.24Å; N93-N110 PolarHBondContact ND2-OD1 3.41Å; N93-N110 VanDerWaalsContact OD1-CG 3.31Å; N93-N110 PolarHBondContact OD1-ND2 3.32Å; N93-N110 PolarHBondContact OD1-OD1 3.46Å; T106-N110 WeakPolarHBondContact O-CB 3.27Å; T106-N110 PolarHBondContact O-N 3.4Å; T106-N110 PolarHBondContact O-ND2 3.11Å; L108-N110 VanDerWaalsContact C-N 3.34Å; N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 PolarHBondContact O-N 3.19Å; N110-A113 WeakPolarHBondContact O-CB 3.39Å; N110-A113 PolarHBondContact O-N 3.43Å; N110-E114 VanDerWaalsContact O-CB 3.31Å; N110-E114 WeakPolarHBondContact O-CB 3.29Å; N110-E114 VanDerWaalsContact O-CG 3.31Å; N110-E114 WeakPolarHBondContact O-CG 3.3Å; N110-E114 PolarHBondContact O-N 2.89Å |
| 111 | L | 91.1 | Very high | 88.4 | Confident | 80 Ų | 80 | 38.6 Ų | 38.6 | 42% | 0.419 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.8 | -38.6 | 176.5 | -75.7 | 170.3 | 0 | 0 | 0 | 112.3 | N107 L108 N115 | N107-L111 WeakPolarHBondContact O-CB 3.16Å; N107-L111 WeakPolarHBondContact O-CG 3.34Å; N107-L111 PolarHBondContact O-N 3.2Å; L108-L111 PolarHBondContact O-N 2.94Å; L111-N115 VanDerWaalsContact O-CB 3.27Å; L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 2.86Å; L111-N115 PolarHBondContact O-ND2 2.98Å |
| 112 | L | 89.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 176.2 | -71.3 | 173.6 | 0 | 0 | 0 | 111.5 | Y41 L108 I109 N110 N115 G116 R117 L118 A121 V124 | Y41-L112 HydrophobicContact CD1-CD2 4.21Å; Y41-L112 HydrophobicContact CD2-CD2 3.95Å; Y41-L112 HydrophobicContact CE1-CD2 4.25Å; Y41-L112 HydrophobicContact CE2-CD2 4.01Å; Y41-L112 HydrophobicContact CG-CD2 4.06Å; L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 WeakPolarHBondContact O-CG 3.38Å; L108-L112 PolarHBondContact O-N 3.44Å; I109-L112 HydrophobicContact CD1-CD1 4.35Å; I109-L112 PolarHBondContact O-N 3.17Å; N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 PolarHBondContact O-N 3.19Å; L112-N115 CarbonylContact O-C 3.49Å; L112-N115 PolarHBondContact O-N 3.38Å; L112-G116 PolarHBondContact O-N 2.79Å; L112-R117 HydrophobicContact CD2-CB 4.15Å; L112-R117 PolarHBondContact O-N 2.76Å; L112-L118 HydrophobicContact CB-CD2 3.9Å; L112-A121 HydrophobicContact CD1-CB 4.02Å; L112-V124 HydrophobicContact CD2-CG2 4.44Å |
| 113 | A | 88 | Confident | 88.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R85 V89 L92 I109 N110 N115 G116 L118 | R85-A113 WeakPolarHBondContact CG-O 3.4Å; R85-A113 PolarHBondContact NE-O 2.97Å; V89-A113 HydrophobicContact CB-CB 4.46Å; V89-A113 HydrophobicContact CG2-CB 3.59Å; L92-A113 HydrophobicContact CD1-CB 3.71Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.47Å; N110-A113 WeakPolarHBondContact O-CB 3.39Å; N110-A113 PolarHBondContact O-N 3.43Å; A113-N115 PolarHBondContact O-N 3.18Å; A113-G116 PolarHBondContact O-N 3.41Å; A113-L118 HydrophobicContact CB-CD1 3.95Å; A113-L118 HydrophobicContact CB-CD2 4.04Å; A113-L118 HydrophobicContact CB-CG 4.2Å |
| 114 | E | 88.1 | Confident | 88.5 | Confident | 100 Ų | 100 | 39.6 Ų | 39.6 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.8 | -20.8 | 175.3 | -75.4 | -179.4 | -176.6 | 0 | 0 | 114 | R85 V89 N110 | R85-E114 VanDerWaalsContact NE-C 3.28Å; R85-E114 PolarHBondContact NE-O 3.39Å; R85-E114 PolarHBondContact NH1-O 2.87Å; R85-E114 PolarHBondContact NH2-O 2.87Å; V89-E114 HydrophobicContact CG2-CG 4.16Å; N110-E114 VanDerWaalsContact O-CB 3.31Å; N110-E114 WeakPolarHBondContact O-CB 3.29Å; N110-E114 VanDerWaalsContact O-CG 3.31Å; N110-E114 WeakPolarHBondContact O-CG 3.3Å; N110-E114 PolarHBondContact O-N 2.89Å |
| 115 | N | 87.9 | Confident | 88.5 | Confident | 69 Ų | 69 | 39.4 Ų | 39.4 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -99.8 | -4.2 | 171.9 | -72.2 | -64.1 | 0 | 0 | 0 | 112.6 | Y41 R85 L111 L112 A113 R117 | Y41-N115 WeakPolarHBondContact OH-CB 3.36Å; Y41-N115 PolarHBondContact OH-ND2 3Å; Y41-N115 VanDerWaalsContact OH-ND2 3.14Å; R85-N115 VanDerWaalsContact NH2-CA 3.28Å; R85-N115 PolarHBondContact NH2-O 3.29Å; L111-N115 VanDerWaalsContact O-CB 3.27Å; L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 2.86Å; L111-N115 PolarHBondContact O-ND2 2.98Å; L112-N115 CarbonylContact O-C 3.49Å; L112-N115 PolarHBondContact O-N 3.38Å; A113-N115 PolarHBondContact O-N 3.18Å; N115-R117 HydrophobicContact CB-CG 4.2Å; N115-R117 PolarHBondContact O-N 3.35Å |
| 116 | G | 83.9 | Confident | 88.5 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 49% | 0.485 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 18.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L112 A113 L118 | L112-G116 PolarHBondContact O-N 2.79Å; A113-G116 PolarHBondContact O-N 3.41Å; G116-L118 VanDerWaalsContact C-N 3.33Å |
| 117 | R | 85.3 | Confident | 88.6 | Confident | 94 Ų | 94 | 42 Ų | 42 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | trans | -101.1 | 28.5 | -176.1 | -65.6 | 173 | -178.7 | 168.3 | -2.6 | 111.5 | Y41 L112 N115 S119 N120 | Y41-R117 WeakPolarHBondContact OH-CD 3.42Å; Y41-R117 PolarHBondContact OH-NH1 2.82Å; L112-R117 HydrophobicContact CD2-CB 4.15Å; L112-R117 PolarHBondContact O-N 2.76Å; N115-R117 HydrophobicContact CB-CG 4.2Å; N115-R117 PolarHBondContact O-N 3.35Å; R117-S119 PolarHBondContact O-N 2.93Å; R117-N120 WeakPolarHBondContact O-CB 3.18Å; R117-N120 PolarHBondContact O-N 2.88Å; R117-N120 VanDerWaalsContact O-N 3.08Å | ||
| 118 | L | 83.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -66.6 | -26.8 | 179.1 | -69.9 | 169.8 | 0 | 0 | 0 | 112.2 | V78 K88 L92 L112 A113 G116 N120 A121 | V78-L118 HydrophobicContact CG1-CB 3.44Å; V78-L118 VanDerWaalsContact CG1-CB 3.44Å; V78-L118 HydrophobicContact CG1-CD1 4.38Å; V78-L118 HydrophobicContact CG2-CD1 4.49Å; K88-L118 HydrophobicContact CB-CD1 4.46Å; K88-L118 HydrophobicContact CD-CD1 4.31Å; L92-L118 HydrophobicContact CD1-CD1 3.62Å; L92-L118 HydrophobicContact CD1-CD2 3.56Å; L92-L118 HydrophobicContact CD1-CG 4.24Å; L112-L118 HydrophobicContact CB-CD2 3.9Å; A113-L118 HydrophobicContact CB-CD1 3.95Å; A113-L118 HydrophobicContact CB-CD2 4.04Å; A113-L118 HydrophobicContact CB-CG 4.2Å; G116-L118 VanDerWaalsContact C-N 3.33Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 3.28Å; L118-A121 WeakPolarHBondContact O-CB 3.18Å; L118-A121 PolarHBondContact O-N 3.41Å |
| 119 | S | 84.3 | Confident | 88.5 | Confident | 73 Ų | 73 | 38.9 Ų | 38.9 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -59.4 | -37.5 | 169.6 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | R117 A121 | R117-S119 PolarHBondContact O-N 2.93Å; S119-A121 VanDerWaalsContact C-N 3.26Å; S119-A121 PolarHBondContact O-N 3.26Å |
| 120 | N | 86.7 | Confident | 88.5 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -80.5 | -3.2 | 179.4 | -55.7 | 91.4 | 0 | 0 | 0 | 113.1 | E38 R117 L118 Q122 G123 V124 | E38-N120 HydrophobicContact CG-CB 4.15Å; E38-N120 PolarHBondContact OE1-ND2 3.14Å; R117-N120 WeakPolarHBondContact O-CB 3.18Å; R117-N120 PolarHBondContact O-N 2.88Å; R117-N120 VanDerWaalsContact O-N 3.08Å; L118-N120 VanDerWaalsContact C-N 3.26Å; L118-N120 PolarHBondContact O-N 3.28Å; N120-Q122 VanDerWaalsContact C-N 3.28Å; N120-Q122 PolarHBondContact O-N 3.42Å; N120-G123 WeakPolarHBondContact O-CA 3.5Å; N120-G123 PolarHBondContact O-N 2.84Å; N120-V124 WeakPolarHBondContact O-CG2 3.14Å; N120-V124 PolarHBondContact O-N 3.07Å |
| 121 | A | 86.9 | Confident | 88.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.9 | -39.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L69 L112 L118 S119 G123 V124 V125 | L69-A121 HydrophobicContact CD1-CB 3.61Å; L112-A121 HydrophobicContact CD1-CB 4.02Å; L118-A121 WeakPolarHBondContact O-CB 3.18Å; L118-A121 PolarHBondContact O-N 3.41Å; S119-A121 VanDerWaalsContact C-N 3.26Å; S119-A121 PolarHBondContact O-N 3.26Å; A121-G123 VanDerWaalsContact C-N 3.32Å; A121-G123 PolarHBondContact O-N 3.07Å; A121-V124 PolarHBondContact O-N 3.1Å; A121-V125 WeakPolarHBondContact O-CG2 3.38Å; A121-V125 PolarHBondContact O-N 3.22Å |
| 122 | Q | 88.3 | Confident | 88.5 | Confident | 97 Ų | 97 | 36.6 Ų | 36.6 | 45% | 0.453 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.4 | -67.4 | -175.5 | -2.9 | 0 | 0 | 112.1 | N120 V125 S126 | N120-Q122 VanDerWaalsContact C-N 3.28Å; N120-Q122 PolarHBondContact O-N 3.42Å; Q122-V125 PolarHBondContact O-N 2.95Å; Q122-S126 PolarHBondContact O-N 2.95Å |
| 123 | G | 89.1 | Confident | 88.3 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.6 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N120 A121 S126 A127 | N120-G123 WeakPolarHBondContact O-CA 3.5Å; N120-G123 PolarHBondContact O-N 2.84Å; A121-G123 VanDerWaalsContact C-N 3.32Å; A121-G123 PolarHBondContact O-N 3.07Å; G123-S126 PolarHBondContact O-N 3.17Å; G123-A127 WeakPolarHBondContact O-CB 3.42Å; G123-A127 PolarHBondContact O-N 3.25Å |
| 124 | V | 91.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 111 | E38 A42 L108 L112 N120 A121 A127 F128 | E38-V124 HydrophobicContact CB-CG2 4.04Å; E38-V124 HydrophobicContact CG-CG2 4.33Å; A42-V124 HydrophobicContact CB-CG1 4.25Å; L108-V124 HydrophobicContact CD2-CG1 4.42Å; L112-V124 HydrophobicContact CD2-CG2 4.44Å; N120-V124 WeakPolarHBondContact O-CG2 3.14Å; N120-V124 PolarHBondContact O-N 3.07Å; A121-V124 PolarHBondContact O-N 3.1Å; V124-A127 PolarHBondContact O-N 2.82Å; V124-F128 WeakPolarHBondContact O-CB 3.49Å; V124-F128 PolarHBondContact O-N 2.82Å |
| 125 | V | 91.4 | Very high | 88.2 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 177.7 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L62 L63 A66 A121 Q122 F128 S129 | L62-V125 HydrophobicContact CB-CG1 4.16Å; L62-V125 HydrophobicContact CB-CG2 4.14Å; L62-V125 HydrophobicContact CD2-CG2 4.17Å; L63-V125 HydrophobicContact CD2-CG1 4.39Å; A66-V125 HydrophobicContact CB-CB 4.37Å; A66-V125 HydrophobicContact CB-CG1 3.97Å; A66-V125 HydrophobicContact CB-CG2 4.26Å; A121-V125 WeakPolarHBondContact O-CG2 3.38Å; A121-V125 PolarHBondContact O-N 3.22Å; Q122-V125 PolarHBondContact O-N 2.95Å; V125-F128 PolarHBondContact O-N 2.95Å; V125-S129 PolarHBondContact O-N 3.01Å |
| 126 | S | 90.5 | Very high | 88 | Confident | 74 Ų | 74 | 41.5 Ų | 41.5 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | Q122 G123 F128 S129 T130 | Q122-S126 PolarHBondContact O-N 2.95Å; G123-S126 PolarHBondContact O-N 3.17Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 2.82Å; S126-S129 PolarHBondContact O-N 3.37Å; S126-T130 PolarHBondContact O-N 2.95Å; S126-T130 PolarHBondContact O-OG1 3.37Å; S126-T130 VanDerWaalsContact O-OG1 3.07Å |
| 127 | A | 91.8 | Very high | 88 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V34 A42 G123 V124 T130 M131 | V34-A127 HydrophobicContact CB-CB 4.37Å; V34-A127 HydrophobicContact CG1-CB 3.87Å; V34-A127 HydrophobicContact CG2-CB 4.41Å; A42-A127 HydrophobicContact CB-CB 3.91Å; G123-A127 WeakPolarHBondContact O-CB 3.42Å; G123-A127 PolarHBondContact O-N 3.25Å; V124-A127 PolarHBondContact O-N 2.82Å; A127-T130 PolarHBondContact O-N 2.94Å; A127-M131 WeakPolarHBondContact O-CG 3.33Å; A127-M131 PolarHBondContact O-N 3.33Å; A127-M131 VanDerWaalsContact O-N 3.11Å |
| 128 | F | 91.7 | Very high | 88 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 176.4 | -169.8 | -92.9 | 0 | 0 | 0 | 112.1 | A42 L45 Y46 V58 E59 L62 V124 V125 S126 T130 M131 M132 | A42-F128 HydrophobicContact CB-CB 4.38Å; L45-F128 HydrophobicContact CB-CD2 4.49Å; L45-F128 HydrophobicContact CB-CE2 4.42Å; L45-F128 HydrophobicContact CD2-CD2 3.82Å; L45-F128 HydrophobicContact CD2-CE2 3.88Å; L45-F128 HydrophobicContact CD2-CG 4.41Å; L45-F128 HydrophobicContact CG-CD2 4.34Å; L45-F128 HydrophobicContact CG-CE2 4.03Å; Y46-F128 HydrophobicContact CD2-CE2 4.3Å; V58-F128 HydrophobicContact CB-CZ 4.48Å; V58-F128 HydrophobicContact CG1-CE1 4.28Å; V58-F128 HydrophobicContact CG1-CZ 4.01Å; E59-F128 HydrophobicContact CB-CE1 3.98Å; E59-F128 HydrophobicContact CG-CE1 4.49Å; L62-F128 HydrophobicContact CD1-CB 3.91Å; L62-F128 HydrophobicContact CD1-CD1 3.42Å; L62-F128 VanDerWaalsContact CD1-CD1 3.42Å; L62-F128 HydrophobicContact CD1-CD2 4.26Å; L62-F128 HydrophobicContact CD1-CE1 3.94Å; L62-F128 HydrophobicContact CD1-CG 3.59Å; V124-F128 WeakPolarHBondContact O-CB 3.49Å; V124-F128 PolarHBondContact O-N 2.82Å; V125-F128 PolarHBondContact O-N 2.95Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 2.82Å; F128-T130 VanDerWaalsContact C-N 3.32Å; F128-T130 PolarHBondContact O-N 3.43Å; F128-M131 HydrophobicContact CB-CE 4.43Å; F128-M131 HydrophobicContact CD2-CE 4.17Å; F128-M131 PolarHBondContact O-N 2.82Å; F128-M131 VanDerWaalsContact O-N 3.17Å; F128-M132 HydrophobicContact CD1-CG 3.83Å; F128-M132 HydrophobicContact CE1-CG 3.5Å; F128-M132 VanDerWaalsContact CE1-CG 3.5Å; F128-M132 HydrophobicContact CE1-SD 4.08Å; F128-M132 HydrophobicContact CZ-CG 4.1Å; F128-M132 HydrophobicContact CZ-SD 4.17Å; F128-M132 WeakPolarHBondContact O-CG 3.41Å; F128-M132 PolarHBondContact O-N 2.98Å |
| 129 | S | 89.9 | Confident | 87.9 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | V125 S126 M131 M132 S133 | V125-S129 PolarHBondContact O-N 3.01Å; S126-S129 PolarHBondContact O-N 3.37Å; S129-M131 PolarHBondContact O-N 3.35Å; S129-M132 PolarHBondContact O-N 3.23Å; S129-S133 PolarHBondContact O-N 3.45Å |
| 130 | T | 89.3 | Confident | 87.9 | Confident | 61 Ų | 61 | 38.6 Ų | 38.6 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 112 | S126 A127 F128 M132 S133 V134 | S126-T130 PolarHBondContact O-N 2.95Å; S126-T130 PolarHBondContact O-OG1 3.37Å; S126-T130 VanDerWaalsContact O-OG1 3.07Å; A127-T130 PolarHBondContact O-N 2.94Å; F128-T130 VanDerWaalsContact C-N 3.32Å; F128-T130 PolarHBondContact O-N 3.43Å; T130-M132 VanDerWaalsContact C-N 3.32Å; T130-M132 PolarHBondContact O-N 3.46Å; T130-S133 PolarHBondContact O-N 2.84Å; T130-V134 WeakPolarHBondContact O-CG2 3.35Å; T130-V134 PolarHBondContact O-N 3.39Å |
| 131 | M | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 176.9 | -69.7 | -177.2 | -67.1 | 0 | 0 | 112.5 | P30 P31 V34 A42 T43 A127 F128 S129 V134 H135 | P30-M131 HydrophobicContact CB-CG 4.48Å; P30-M131 HydrophobicContact CB-SD 3.67Å; P30-M131 HydrophobicContact CG-SD 4.17Å; P31-M131 WeakPolarHBondContact CG-O 3.19Å; V34-M131 HydrophobicContact CG2-CG 4.03Å; V34-M131 HydrophobicContact CG2-SD 4.44Å; A42-M131 HydrophobicContact CB-CE 3.32Å; T43-M131 HydrophobicContact CG2-SD 4.09Å; A127-M131 WeakPolarHBondContact O-CG 3.33Å; A127-M131 PolarHBondContact O-N 3.33Å; A127-M131 VanDerWaalsContact O-N 3.11Å; F128-M131 HydrophobicContact CB-CE 4.43Å; F128-M131 HydrophobicContact CD2-CE 4.17Å; F128-M131 PolarHBondContact O-N 2.82Å; F128-M131 VanDerWaalsContact O-N 3.17Å; S129-M131 PolarHBondContact O-N 3.35Å; M131-V134 PolarHBondContact O-N 2.83Å; M131-H135 WeakPolarHBondContact O-CB 3.21Å; M131-H135 PolarHBondContact O-N 2.95Å |
| 132 | M | 89.4 | Confident | 87.9 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 176.8 | -74.5 | -59.9 | -66.6 | 0 | 0 | 112.6 | Y46 L55 E59 F128 S129 T130 V134 H135 R136 | Y46-M132 HydrophobicContact CD2-SD 4.48Å; Y46-M132 HydrophobicContact CE2-SD 4.24Å; L55-M132 HydrophobicContact CB-CE 3.82Å; L55-M132 HydrophobicContact CB-SD 3.96Å; L55-M132 HydrophobicContact CD2-SD 4.19Å; E59-M132 HydrophobicContact CB-CE 4.45Å; E59-M132 HydrophobicContact CB-CG 4.38Å; E59-M132 HydrophobicContact CG-CG 4.27Å; E59-M132 WeakPolarHBondContact OE2-CB 3.31Å; E59-M132 WeakPolarHBondContact OE2-CE 3.34Å; F128-M132 HydrophobicContact CD1-CG 3.83Å; F128-M132 HydrophobicContact CE1-CG 3.5Å; F128-M132 VanDerWaalsContact CE1-CG 3.5Å; F128-M132 HydrophobicContact CE1-SD 4.08Å; F128-M132 HydrophobicContact CZ-CG 4.1Å; F128-M132 HydrophobicContact CZ-SD 4.17Å; F128-M132 WeakPolarHBondContact O-CG 3.41Å; F128-M132 PolarHBondContact O-N 2.98Å; S129-M132 PolarHBondContact O-N 3.23Å; T130-M132 VanDerWaalsContact C-N 3.32Å; T130-M132 PolarHBondContact O-N 3.46Å; M132-V134 VanDerWaalsContact C-N 3.3Å; M132-V134 PolarHBondContact O-N 2.79Å; M132-H135 WeakPolarHBondContact O-CB 3.48Å; M132-H135 PolarHBondContact O-N 3.38Å; M132-H135 VanDerWaalsContact O-N 3.15Å; M132-R136 WeakPolarHBondContact O-CG 3.38Å; M132-R136 PolarHBondContact O-N 2.89Å |
| 133 | S | 86.8 | Confident | 88 | Confident | 16 Ų | 16 | 33 Ų | 33 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.1 | -45.7 | 172.8 | -82.3 | 0 | 0 | 0 | 0 | 111.2 | S129 T130 H135 R136 G137 E138 | S129-S133 PolarHBondContact O-N 3.45Å; T130-S133 PolarHBondContact O-N 2.84Å; S133-H135 PolarHBondContact O-N 3.29Å; S133-R136 PolarHBondContact O-N 3.25Å; S133-G137 PolarHBondContact O-N 3.33Å; S133-E138 WeakPolarHBondContact CB-OE2 3.43Å; S133-E138 WeakPolarHBondContact O-CB 3.31Å; S133-E138 PolarHBondContact O-N 3.29Å; S133-E138 PolarHBondContact OG-OE2 2.92Å |
| 134 | V | 86.6 | Confident | 88 | Confident | 58 Ų | 58 | 33 Ų | 33 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.6 | -35.2 | 178 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | P31 V32 T130 M131 M132 R136 G137 | P31-V134 HydrophobicContact CB-CB 4.48Å; P31-V134 HydrophobicContact CB-CG1 4.01Å; P31-V134 HydrophobicContact CG-CB 4.32Å; P31-V134 HydrophobicContact CG-CG1 4.38Å; V32-V134 HydrophobicContact CG2-CB 3.9Å; V32-V134 HydrophobicContact CG2-CG1 3.72Å; V32-V134 HydrophobicContact CG2-CG2 3.69Å; T130-V134 WeakPolarHBondContact O-CG2 3.35Å; T130-V134 PolarHBondContact O-N 3.39Å; M131-V134 PolarHBondContact O-N 2.83Å; M132-V134 VanDerWaalsContact C-N 3.3Å; M132-V134 PolarHBondContact O-N 2.79Å; V134-R136 PolarHBondContact O-N 3.19Å; V134-G137 WeakPolarHBondContact O-CA 3.31Å; V134-G137 PolarHBondContact O-N 2.91Å |
| 135 | H | 86.5 | Confident | 87.9 | Confident | 98 Ų | 98 | 33.3 Ų | 33.3 | 45% | 0.454 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.8 | -33.7 | 173.8 | -177.6 | -99 | 0 | 0 | 0 | 112.6 | P31 Y46 M131 M132 S133 G137 | P31-H135 HydrophobicContact CG-CB 4.14Å; Y46-H135 PolarHBondContact OH-CD2 3.11Å; M131-H135 WeakPolarHBondContact O-CB 3.21Å; M131-H135 PolarHBondContact O-N 2.95Å; M132-H135 WeakPolarHBondContact O-CB 3.48Å; M132-H135 PolarHBondContact O-N 3.38Å; M132-H135 VanDerWaalsContact O-N 3.15Å; S133-H135 PolarHBondContact O-N 3.29Å; H135-G137 PolarHBondContact O-N 2.87Å |
| 136 | R | 85.3 | Confident | 87.7 | Confident | 102 Ų | 102 | 33.7 Ų | 33.7 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.6 | 173 | -66.3 | 175.9 | -173.7 | -178.5 | 3.3 | 113.5 | E56 E59 M132 S133 V134 E138 | E56-R136 IonicContact OE1-CZ 3.71Å; E56-R136 IonicContact OE1-NH2 2.82Å; E56-R136 PolarHBondContact OE1-NH2 2.87Å; E56-R136 IonicContact OE2-CZ 3.54Å; E56-R136 IonicContact OE2-NE 2.92Å; E56-R136 IonicContact OE2-NH2 2.7Å; E56-R136 PolarHBondContact OE2-NH2 2.8Å; E59-R136 IonicContact OE1-NH2 3.69Å; E59-R136 IonicContact OE2-CZ 3.99Å; E59-R136 IonicContact OE2-NH2 3.65Å; E59-R136 PolarHBondContact OE2-NH2 2.94Å; M132-R136 WeakPolarHBondContact O-CG 3.38Å; M132-R136 PolarHBondContact O-N 2.89Å; S133-R136 PolarHBondContact O-N 3.25Å; V134-R136 PolarHBondContact O-N 3.19Å; R136-E138 VanDerWaalsContact C-N 3.33Å; R136-E138 HydrophobicContact CB-CG 4.12Å; R136-E138 IonicContact NH1-OE1 3.93Å |
| 137 | G | 83.3 | Confident | 87.4 | Confident | 18 Ų | 18 | 34 Ų | 34 | 19% | 0.186 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 19.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S133 V134 H135 Q169 V170 | S133-G137 PolarHBondContact O-N 3.33Å; V134-G137 WeakPolarHBondContact O-CA 3.31Å; V134-G137 PolarHBondContact O-N 2.91Å; H135-G137 PolarHBondContact O-N 2.87Å; G137-Q169 CarbonylContact O-C 3.58Å; G137-Q169 WeakPolarHBondContact O-CA 3.43Å; G137-Q169 WeakPolarHBondContact O-CB 3.34Å; G137-V170 PolarHBondContact O-N 3Å |
| 138 | E | 84.7 | Confident | 87 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.9 | 175.6 | -63.5 | 174 | -173.5 | 0 | 0 | 110.5 | S133 R136 V170 | S133-E138 WeakPolarHBondContact CB-OE2 3.43Å; S133-E138 WeakPolarHBondContact O-CB 3.31Å; S133-E138 PolarHBondContact O-N 3.29Å; S133-E138 PolarHBondContact OG-OE2 2.92Å; R136-E138 VanDerWaalsContact C-N 3.33Å; R136-E138 HydrophobicContact CB-CG 4.12Å; R136-E138 IonicContact NH1-OE1 3.93Å; E138-V170 CarbonylContact C-O 3.51Å; E138-V170 VanDerWaalsContact CA-O 3.27Å; E138-V170 WeakPolarHBondContact CA-O 3.26Å |
| 139 | V | 82.6 | Confident | 86.4 | Confident | 24 Ų | 24 | 41 Ų | 41 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.1 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | C141 L165 Q169 V170 K172 I189 | V139-C141 PolarHBondContact O-N 3.01Å; V139-L165 HydrophobicContact CB-CD2 3.81Å; V139-L165 HydrophobicContact CG1-CD2 3.89Å; V139-L165 HydrophobicContact CG2-CD2 3.96Å; V139-Q169 HydrophobicContact CG2-CB 4.02Å; V139-Q169 HydrophobicContact CG2-CG 4.07Å; V139-V170 PolarHBondContact N-O 3.05Å; V139-K172 PolarHBondContact O-N 3.34Å; V139-I189 HydrophobicContact CG1-CG2 3.78Å |
| 140 | L | 83.1 | Confident | 86.1 | Confident | 80 Ų | 80 | 46 Ų | 46 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 119.4 | 174.6 | -70.3 | 164.5 | 0 | 0 | 0 | 109.6 | K172 G190 | L140-K172 HydrophobicContact CD2-CB 4.25Å; L140-K172 HydrophobicContact CD2-CD 3.83Å; L140-K172 HydrophobicContact CD2-CG 4.11Å; L140-G190 PolarHBondContact O-N 2.85Å |
| 141 | C | 86.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109.2 | 177.8 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | V139 L171 K172 L173 E174 R188 | V139-C141 PolarHBondContact O-N 3.01Å; C141-L171 HydrophobicContact CB-CD1 4.02Å; C141-L171 HydrophobicContact CB-CD2 4.18Å; C141-L171 HydrophobicContact CB-CG 3.99Å; C141-L171 WeakPolarHBondContact SG-CD1 3.24Å; C141-L171 VanDerWaalsContact SG-CG 3.58Å; C141-K172 PolarHBondContact N-O 3.4Å; C141-L173 WeakPolarHBondContact O-CA 3.43Å; C141-E174 PolarHBondContact O-N 3.21Å; C141-R188 CarbonylContact C-O 3.57Å; C141-R188 VanDerWaalsContact CA-O 3.27Å; C141-R188 WeakPolarHBondContact CA-O 3.49Å |
| 142 | T | 88.8 | Confident | 85.6 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 17% | 0.166 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.5 | 175.3 | -50.5 | 0 | 0 | 0 | 0 | 109.2 | E174 K176 R188 | T142-E174 CarbonylContact C-O 3.56Å; T142-E174 WeakPolarHBondContact CA-O 3.21Å; T142-K176 HydrophobicContact CG2-CD 3.75Å; T142-K176 HydrophobicContact CG2-CG 4.16Å; T142-R188 PolarHBondContact N-O 3.14Å; T142-R188 PolarHBondContact O-N 3.44Å |
| 143 | V | 88.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.5 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | T145 L149 L161 L173 E174 A175 K176 I186 V187 | V143-T145 HydrophobicContact CG1-CG2 4.09Å; V143-L149 HydrophobicContact CG1-CD1 4.32Å; V143-L161 HydrophobicContact CG2-CD1 4.07Å; V143-L173 HydrophobicContact CG2-CD1 4.25Å; V143-L173 HydrophobicContact CG2-CD2 4.45Å; V143-L173 HydrophobicContact CG2-CG 4.23Å; V143-E174 PolarHBondContact N-O 3Å; V143-A175 CarbonylContact O-C 3.53Å; V143-A175 WeakPolarHBondContact O-CA 3.49Å; V143-K176 PolarHBondContact O-N 3.15Å; V143-I186 CarbonylContact C-O 3.57Å; V143-I186 WeakPolarHBondContact CA-O 3.35Å; V143-V187 HydrophobicContact CG1-CG2 4.4Å; V143-V187 HydrophobicContact CG2-CG1 4.37Å; V143-V187 HydrophobicContact CG2-CG2 4.43Å |
| 144 | T | 89.9 | Confident | 85.1 | Confident | 29 Ų | 29 | 57 Ų | 57 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.8 | 177 | -47.8 | 0 | 0 | 0 | 0 | 109.9 | K176 D178 M185 I186 | T144-K176 CarbonylContact C-O 3.55Å; T144-K176 VanDerWaalsContact CA-O 3.24Å; T144-K176 WeakPolarHBondContact CA-O 3.44Å; T144-K176 HydrophobicContact CG2-CB 4.45Å; T144-D178 HydrophobicContact CG2-CB 3.74Å; T144-M185 WeakPolarHBondContact O-CA 3.33Å; T144-I186 PolarHBondContact N-O 2.93Å; T144-I186 PolarHBondContact O-N 2.7Å |
| 145 | T | 89.3 | Confident | 85.1 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.9 | -178.6 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | V143 S147 L149 K176 T177 D178 M185 | V143-T145 HydrophobicContact CG1-CG2 4.09Å; T145-S147 WeakPolarHBondContact CB-O 3.45Å; T145-S147 PolarHBondContact OG1-O 3.47Å; T145-L149 HydrophobicContact CG2-CD1 3.72Å; T145-L149 HydrophobicContact CG2-CD2 3.95Å; T145-L149 HydrophobicContact CG2-CG 3.86Å; T145-K176 PolarHBondContact N-O 3.02Å; T145-T177 CarbonylContact O-C 3.55Å; T145-T177 VanDerWaalsContact O-CA 3.31Å; T145-T177 WeakPolarHBondContact O-CA 3.44Å; T145-D178 PolarHBondContact O-N 3.23Å; T145-M185 HydrophobicContact CG2-CB 4Å |
| 146 | A | 87.4 | Confident | 85 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -71.3 | -34.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D178 I181 | A146-D178 WeakPolarHBondContact CA-O 3.44Å; A146-I181 HydrophobicContact CB-CD1 4.25Å; A146-I181 HydrophobicContact CB-CG1 3.71Å |
| 147 | S | 83.8 | Confident | 84.9 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 56% | 0.559 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -122 | 156.4 | -178.9 | -62.2 | 0 | 0 | 0 | 0 | 110 | T145 L149 | T145-S147 WeakPolarHBondContact CB-O 3.45Å; T145-S147 PolarHBondContact OG1-O 3.47Å; S147-L149 PolarHBondContact O-N 3.23Å |
| 148 | P | 83.4 | Confident | 85 | Confident | 109 Ų | 109 | 59 Ų | 59 | 71% | 0.708 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -57 | 136 | 170.8 | 25.5 | -34.1 | 0 | 0 | 0 | 109.9 | ||
| 149 | L | 78.6 | Confident | 85 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 139.3 | 179.6 | -74 | 165.5 | 0 | 0 | 0 | 110.4 | V143 T145 S147 L154 L157 | V143-L149 HydrophobicContact CG1-CD1 4.32Å; T145-L149 HydrophobicContact CG2-CD1 3.72Å; T145-L149 HydrophobicContact CG2-CD2 3.95Å; T145-L149 HydrophobicContact CG2-CG 3.86Å; S147-L149 PolarHBondContact O-N 3.23Å; L149-L154 HydrophobicContact CB-CD1 4.33Å; L149-L154 HydrophobicContact CB-CD2 3.86Å; L149-L154 HydrophobicContact CB-CG 3.84Å; L149-L154 HydrophobicContact CD1-CD2 3.58Å; L149-L154 HydrophobicContact CD1-CG 4.44Å; L149-L154 HydrophobicContact CG-CD2 4.36Å; L149-L157 HydrophobicContact CD1-CD1 4.03Å; L149-L157 HydrophobicContact CD2-CD1 4.26Å |
| 150 | E | 84.8 | Confident | 85 | Confident | 144 Ų | 144 | 64.2 Ų | 64.2 | 67% | 0.673 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 150.7 | 172.2 | -166.7 | 172.5 | -166.5 | 0 | 0 | 110.5 | A152 T153 L154 | E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.46Å; E150-T153 PolarHBondContact N-OG1 2.87Å; E150-T153 PolarHBondContact O-N 3.42Å; E150-T153 VanDerWaalsContact O-N 3.1Å; E150-T153 PolarHBondContact O-OG1 3.02Å; E150-L154 PolarHBondContact O-N 3.41Å |
| 151 | E | 83.2 | Confident | 85 | Confident | 169 Ų | 169 | 60.9 Ų | 60.9 | 79% | 0.79 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.8 | -35.5 | -175.4 | -62.8 | -170 | 170.7 | 0 | 0 | 113.3 | L154 S155 | E151-L154 PolarHBondContact O-N 3.44Å; E151-S155 PolarHBondContact O-N 2.89Å |
| 152 | A | 84.9 | Confident | 84.7 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.6 | -52.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E150 L154 S155 E156 | E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.46Å; A152-L154 VanDerWaalsContact C-N 3.3Å; A152-L154 PolarHBondContact O-N 3.39Å; A152-S155 PolarHBondContact O-N 3.37Å; A152-S155 VanDerWaalsContact O-N 3.12Å; A152-S155 PolarHBondContact O-OG 3.09Å; A152-E156 PolarHBondContact O-N 3.35Å |
| 153 | T | 82.9 | Confident | 84.2 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 178.6 | 63.8 | 0 | 0 | 0 | 0 | 112.7 | E150 S155 L157 | E150-T153 PolarHBondContact N-OG1 2.87Å; E150-T153 PolarHBondContact O-N 3.42Å; E150-T153 VanDerWaalsContact O-N 3.1Å; E150-T153 PolarHBondContact O-OG1 3.02Å; T153-S155 VanDerWaalsContact C-N 3.33Å; T153-S155 PolarHBondContact O-N 2.98Å; T153-L157 VanDerWaalsContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CB 3.41Å; T153-L157 WeakPolarHBondContact O-CG 3.27Å; T153-L157 PolarHBondContact O-N 3.33Å |
| 154 | L | 83.9 | Confident | 83.5 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 20% | 0.199 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 175.2 | -74.4 | 172.5 | 0 | 0 | 0 | 112.6 | L149 E150 E151 A152 K158 L173 | L149-L154 HydrophobicContact CB-CD1 4.33Å; L149-L154 HydrophobicContact CB-CD2 3.86Å; L149-L154 HydrophobicContact CB-CG 3.84Å; L149-L154 HydrophobicContact CD1-CD2 3.58Å; L149-L154 HydrophobicContact CD1-CG 4.44Å; L149-L154 HydrophobicContact CG-CD2 4.36Å; E150-L154 PolarHBondContact O-N 3.41Å; E151-L154 PolarHBondContact O-N 3.44Å; A152-L154 VanDerWaalsContact C-N 3.3Å; A152-L154 PolarHBondContact O-N 3.39Å; L154-K158 WeakPolarHBondContact O-CB 3.26Å; L154-K158 VanDerWaalsContact O-CG 3.28Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 3.33Å; L154-L173 HydrophobicContact CD2-CD2 4.26Å |
| 155 | S | 85 | Confident | 82.8 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 179.4 | 76.2 | 0 | 0 | 0 | 0 | 112.1 | E151 A152 T153 K158 T159 | E151-S155 PolarHBondContact O-N 2.89Å; A152-S155 PolarHBondContact O-N 3.37Å; A152-S155 VanDerWaalsContact O-N 3.12Å; A152-S155 PolarHBondContact O-OG 3.09Å; T153-S155 VanDerWaalsContact C-N 3.33Å; T153-S155 PolarHBondContact O-N 2.98Å; S155-K158 PolarHBondContact O-N 3.28Å; S155-T159 PolarHBondContact O-N 2.81Å; S155-T159 VanDerWaalsContact O-N 3.13Å; S155-T159 PolarHBondContact O-OG1 3.02Å |
| 156 | E | 85.4 | Confident | 82 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 59% | 0.589 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 174.1 | -67.1 | 177.9 | -179.1 | 0 | 0 | 110.7 | A152 K158 T159 V160 | A152-E156 PolarHBondContact O-N 3.35Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 PolarHBondContact O-N 2.95Å; E156-T159 WeakPolarHBondContact O-CB 3.25Å; E156-T159 PolarHBondContact O-N 3.09Å; E156-V160 WeakPolarHBondContact O-CG2 3.39Å; E156-V160 PolarHBondContact O-N 3.45Å |
| 157 | L | 83.6 | Confident | 81 | Confident | 27 Ų | 27 | 88.4 Ų | 88.4 | 14% | 0.141 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 176.1 | -76.1 | 173.2 | 0 | 0 | 0 | 111.8 | L149 T153 T159 V160 L161 M185 | L149-L157 HydrophobicContact CD1-CD1 4.03Å; L149-L157 HydrophobicContact CD2-CD1 4.26Å; T153-L157 VanDerWaalsContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CB 3.41Å; T153-L157 WeakPolarHBondContact O-CG 3.27Å; T153-L157 PolarHBondContact O-N 3.33Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 3.13Å; L157-V160 PolarHBondContact O-N 3.33Å; L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.21Å; L157-M185 HydrophobicContact CD2-CE 4.07Å; L157-M185 HydrophobicContact CD2-SD 3.96Å |
| 158 | K | 83.9 | Confident | 80.2 | Confident | 100 Ų | 100 | 88.2 Ų | 88.2 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 175 | -78.2 | 174.4 | -176.4 | 175.6 | 0 | 111.9 | L154 S155 E156 K162 L173 | L154-K158 WeakPolarHBondContact O-CB 3.26Å; L154-K158 VanDerWaalsContact O-CG 3.28Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 3.33Å; S155-K158 PolarHBondContact O-N 3.28Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 PolarHBondContact O-N 2.95Å; K158-K162 WeakPolarHBondContact O-CB 3.49Å; K158-K162 WeakPolarHBondContact O-CG 3.48Å; K158-K162 PolarHBondContact O-N 3.39Å; K158-L173 HydrophobicContact CG-CD1 3.83Å |
| 159 | T | 84.8 | Confident | 79.8 | Confident | 98 Ų | 98 | 86.8 Ų | 86.8 | 60% | 0.601 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.2 | -45.3 | -179.9 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | S155 E156 L157 K162 S163 | S155-T159 PolarHBondContact O-N 2.81Å; S155-T159 VanDerWaalsContact O-N 3.13Å; S155-T159 PolarHBondContact O-OG1 3.02Å; E156-T159 WeakPolarHBondContact O-CB 3.25Å; E156-T159 PolarHBondContact O-N 3.09Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 3.13Å; T159-K162 PolarHBondContact O-N 3.34Å; T159-S163 PolarHBondContact O-N 3.03Å |
| 160 | V | 84.1 | Confident | 79.8 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | E156 L157 K162 S163 F164 | E156-V160 WeakPolarHBondContact O-CG2 3.39Å; E156-V160 PolarHBondContact O-N 3.45Å; L157-V160 PolarHBondContact O-N 3.33Å; V160-K162 VanDerWaalsContact C-N 3.25Å; V160-K162 PolarHBondContact O-N 3.33Å; V160-S163 PolarHBondContact O-N 3Å; V160-S163 PolarHBondContact O-OG 3.09Å; V160-F164 HydrophobicContact CG1-CD2 4.15Å; V160-F164 HydrophobicContact CG1-CE2 3.62Å; V160-F164 WeakPolarHBondContact O-CD2 3.41Å |
| 161 | L | 81.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 83.1 Ų | 83.1 | 5% | 0.047 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.5 | -27.8 | -179.1 | -66 | 170.8 | 0 | 0 | 0 | 112.9 | V143 L157 S163 F164 L171 L173 V187 I189 | V143-L161 HydrophobicContact CG2-CD1 4.07Å; L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 3.21Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.92Å; L161-F164 PolarHBondContact O-N 2.79Å; L161-L171 HydrophobicContact CB-CD1 3.42Å; L161-L171 VanDerWaalsContact CB-CD1 3.42Å; L161-L171 HydrophobicContact CD1-CD1 4.39Å; L161-L173 HydrophobicContact CD1-CD1 3.99Å; L161-V187 HydrophobicContact CD2-CG1 3.67Å; L161-I189 HydrophobicContact CD2-CD1 3.89Å |
| 162 | K | 80.8 | Confident | 79.5 | Confident | 136 Ų | 136 | 79.9 Ų | 79.9 | 59% | 0.591 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.1 | -34 | 171.5 | -82.6 | 173.5 | -179.7 | -176.3 | 0 | 112.8 | K158 T159 V160 F164 L165 | K158-K162 WeakPolarHBondContact O-CB 3.49Å; K158-K162 WeakPolarHBondContact O-CG 3.48Å; K158-K162 PolarHBondContact O-N 3.39Å; T159-K162 PolarHBondContact O-N 3.34Å; V160-K162 VanDerWaalsContact C-N 3.25Å; V160-K162 PolarHBondContact O-N 3.33Å; K162-F164 VanDerWaalsContact C-N 3.28Å; K162-F164 PolarHBondContact O-N 3.48Å; K162-L165 PolarHBondContact O-N 2.96Å |
| 163 | S | 79.1 | Confident | 79.5 | Confident | 94 Ų | 94 | 79.1 Ų | 79.1 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -72.8 | -23 | 178.1 | 71.8 | 0 | 0 | 0 | 0 | 113 | T159 V160 L161 L165 | T159-S163 PolarHBondContact O-N 3.03Å; V160-S163 PolarHBondContact O-N 3Å; V160-S163 PolarHBondContact O-OG 3.09Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.92Å; S163-L165 VanDerWaalsContact C-N 3.32Å |
| 164 | F | 73.4 | Confident | 79.7 | Confident | 130 Ų | 130 | 80.6 Ų | 80.6 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9.5 | 174.5 | -71.4 | -76.1 | 0 | 0 | 0 | 114.1 | V160 L161 K162 I189 | V160-F164 HydrophobicContact CG1-CD2 4.15Å; V160-F164 HydrophobicContact CG1-CE2 3.62Å; V160-F164 WeakPolarHBondContact O-CD2 3.41Å; L161-F164 PolarHBondContact O-N 2.79Å; K162-F164 VanDerWaalsContact C-N 3.28Å; K162-F164 PolarHBondContact O-N 3.48Å; F164-I189 HydrophobicContact CB-CD1 4.38Å |
| 165 | L | 75.9 | Confident | 79.8 | Confident | 24 Ų | 24 | 81.6 Ų | 81.6 | 13% | 0.126 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -86.6 | 153 | 177.8 | -71.7 | 172.2 | 0 | 0 | 0 | 111.9 | V139 K162 S163 Q169 L171 I189 | V139-L165 HydrophobicContact CB-CD2 3.81Å; V139-L165 HydrophobicContact CG1-CD2 3.89Å; V139-L165 HydrophobicContact CG2-CD2 3.96Å; K162-L165 PolarHBondContact O-N 2.96Å; S163-L165 VanDerWaalsContact C-N 3.32Å; L165-Q169 HydrophobicContact CB-CB 4.33Å; L165-Q169 HydrophobicContact CD1-CB 4.49Å; L165-Q169 HydrophobicContact CD2-CB 4.46Å; L165-L171 HydrophobicContact CD1-CB 3.63Å; L165-L171 HydrophobicContact CD1-CD1 3.75Å; L165-L171 HydrophobicContact CD1-CG 4.18Å; L165-L171 HydrophobicContact CG-CD1 4.39Å; L165-I189 HydrophobicContact CD2-CG2 3.99Å |
| 166 | S | 71.6 | Confident | 80 | Confident | 74 Ų | 74 | 83.9 Ų | 83.9 | 52% | 0.517 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 153.7 | 172.6 | -58 | 0 | 0 | 0 | 0 | 110.9 | G168 Q169 | S166-G168 PolarHBondContact O-N 3.44Å; S166-Q169 PolarHBondContact O-N 3.19Å |
| 167 | Q | 67.1 | Low | 80.2 | Confident | 205 Ų | 205 | 81.8 Ų | 81.8 | 96% | 0.958 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 127.3 | 179.9 | -74.9 | 176.8 | -18 | 0 | 0 | 111.5 | ||
| 168 | G | 65.5 | Low | 80.4 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 77% | 0.773 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 0.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S166 | S166-G168 PolarHBondContact O-N 3.44Š|
| 169 | Q | 76.3 | Confident | 80.4 | Confident | 80 Ų | 80 | 83.2 Ų | 83.2 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 138.5 | 177.5 | -69.6 | 176 | -7.2 | 0 | 0 | 112.5 | G137 V139 L165 S166 | G137-Q169 CarbonylContact O-C 3.58Å; G137-Q169 WeakPolarHBondContact O-CA 3.43Å; G137-Q169 WeakPolarHBondContact O-CB 3.34Å; V139-Q169 HydrophobicContact CG2-CB 4.02Å; V139-Q169 HydrophobicContact CG2-CG 4.07Å; L165-Q169 HydrophobicContact CB-CB 4.33Å; L165-Q169 HydrophobicContact CD1-CB 4.49Å; L165-Q169 HydrophobicContact CD2-CB 4.46Å; S166-Q169 PolarHBondContact O-N 3.19Å |
| 170 | V | 77.7 | Confident | 80.6 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.6 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | G137 E138 V139 | G137-V170 PolarHBondContact O-N 3Å; E138-V170 CarbonylContact C-O 3.51Å; E138-V170 VanDerWaalsContact CA-O 3.27Å; E138-V170 WeakPolarHBondContact CA-O 3.26Å; V139-V170 PolarHBondContact N-O 3.05Å |
| 171 | L | 79.4 | Confident | 80.6 | Confident | 25 Ų | 25 | 78.3 Ų | 78.3 | 13% | 0.131 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123 | -179.2 | -167.7 | 134.1 | 0 | 0 | 0 | 111.5 | C141 L161 L165 L173 | C141-L171 HydrophobicContact CB-CD1 4.02Å; C141-L171 HydrophobicContact CB-CD2 4.18Å; C141-L171 HydrophobicContact CB-CG 3.99Å; C141-L171 WeakPolarHBondContact SG-CD1 3.24Å; C141-L171 VanDerWaalsContact SG-CG 3.58Å; L161-L171 HydrophobicContact CB-CD1 3.42Å; L161-L171 VanDerWaalsContact CB-CD1 3.42Å; L161-L171 HydrophobicContact CD1-CD1 4.39Å; L165-L171 HydrophobicContact CD1-CB 3.63Å; L165-L171 HydrophobicContact CD1-CD1 3.75Å; L165-L171 HydrophobicContact CD1-CG 4.18Å; L165-L171 HydrophobicContact CG-CD1 4.39Å; L171-L173 HydrophobicContact CD2-CB 3.63Å; L171-L173 HydrophobicContact CD2-CD1 3.98Å; L171-L173 HydrophobicContact CD2-CG 4.23Å |
| 172 | K | 83.3 | Confident | 80.6 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 105.5 | 168.3 | -172.4 | 169.4 | 178.5 | 178.7 | 0 | 109 | V139 L140 C141 | V139-K172 PolarHBondContact O-N 3.34Å; L140-K172 HydrophobicContact CD2-CB 4.25Å; L140-K172 HydrophobicContact CD2-CD 3.83Å; L140-K172 HydrophobicContact CD2-CG 4.11Å; C141-K172 PolarHBondContact N-O 3.4Å |
| 173 | L | 83.4 | Confident | 80.8 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 20% | 0.204 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.9 | -174.8 | -160.6 | 145.6 | 0 | 0 | 0 | 111 | C141 V143 L154 K158 L161 L171 A175 | C141-L173 WeakPolarHBondContact O-CA 3.43Å; V143-L173 HydrophobicContact CG2-CD1 4.25Å; V143-L173 HydrophobicContact CG2-CD2 4.45Å; V143-L173 HydrophobicContact CG2-CG 4.23Å; L154-L173 HydrophobicContact CD2-CD2 4.26Å; K158-L173 HydrophobicContact CG-CD1 3.83Å; L161-L173 HydrophobicContact CD1-CD1 3.99Å; L171-L173 HydrophobicContact CD2-CB 3.63Å; L171-L173 HydrophobicContact CD2-CD1 3.98Å; L171-L173 HydrophobicContact CD2-CG 4.23Å; L173-A175 HydrophobicContact CD2-CB 4.07Å |
| 174 | E | 87.1 | Confident | 81.1 | Confident | 81 Ų | 81 | 77 Ų | 77 | 38% | 0.379 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 111.1 | 168.5 | -67.9 | -176.3 | 179.1 | 0 | 0 | 108.9 | C141 T142 V143 | C141-E174 PolarHBondContact O-N 3.21Å; T142-E174 CarbonylContact C-O 3.56Å; T142-E174 WeakPolarHBondContact CA-O 3.21Å; V143-E174 PolarHBondContact N-O 3Å |
| 175 | A | 87.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 48% | 0.479 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | V143 L173 | V143-A175 CarbonylContact O-C 3.53Å; V143-A175 WeakPolarHBondContact O-CA 3.49Å; L173-A175 HydrophobicContact CD2-CB 4.07Å |
| 176 | K | 88.5 | Confident | 82.5 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.7 | 175.3 | -66.1 | -176 | -178.8 | 175.5 | 0 | 109.1 | T142 V143 T144 T145 | T142-K176 HydrophobicContact CG2-CD 3.75Å; T142-K176 HydrophobicContact CG2-CG 4.16Å; V143-K176 PolarHBondContact O-N 3.15Å; T144-K176 CarbonylContact C-O 3.55Å; T144-K176 VanDerWaalsContact CA-O 3.24Å; T144-K176 WeakPolarHBondContact CA-O 3.44Å; T144-K176 HydrophobicContact CG2-CB 4.45Å; T145-K176 PolarHBondContact N-O 3.02Å |
| 177 | T | 89.5 | Confident | 83.3 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.7 | 177.2 | -47.1 | 0 | 0 | 0 | 0 | 109.2 | T145 | T145-T177 CarbonylContact O-C 3.55Å; T145-T177 VanDerWaalsContact O-CA 3.31Å; T145-T177 WeakPolarHBondContact O-CA 3.44Å |
| 178 | D | 87.6 | Confident | 84.3 | Confident | 61 Ų | 61 | 68 Ų | 68 | 33% | 0.326 | 39% | 0.388 | S | S | . | . | trans | -131.4 | 105.1 | 174 | -176.7 | -1.2 | 0 | 0 | 0 | 109.8 | T144 T145 A146 S180 I181 | T144-D178 HydrophobicContact CG2-CB 3.74Å; T145-D178 PolarHBondContact O-N 3.23Å; A146-D178 WeakPolarHBondContact CA-O 3.44Å; D178-S180 PolarHBondContact O-N 2.65Å; D178-S180 VanDerWaalsContact O-N 3.11Å; D178-S180 WeakPolarHBondContact OD1-CB 3.37Å; D178-S180 PolarHBondContact OD1-N 3.49Å; D178-S180 PolarHBondContact OD1-OG 2.98Å; D178-I181 WeakPolarHBondContact O-CG1 3.38Å; D178-I181 PolarHBondContact O-N 3.39Å | ||
| 179 | P | 85.4 | Confident | 85.3 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 63% | 0.63 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -65.2 | -15.1 | -178.9 | 27.4 | -34.2 | 0 | 0 | 0 | 113 | I181 M182 | P179-I181 PolarHBondContact O-N 3.31Å; P179-I181 VanDerWaalsContact O-N 3.16Å; P179-M182 PolarHBondContact O-N 3.04Å |
| 180 | S | 87.1 | Confident | 85.5 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -64.7 | -19.5 | -178.2 | -48.5 | 0 | 0 | 0 | 0 | 113.8 | D178 M182 | D178-S180 PolarHBondContact O-N 2.65Å; D178-S180 VanDerWaalsContact O-N 3.11Å; D178-S180 WeakPolarHBondContact OD1-CB 3.37Å; D178-S180 PolarHBondContact OD1-N 3.49Å; D178-S180 PolarHBondContact OD1-OG 2.98Å; S180-M182 VanDerWaalsContact C-N 3.27Å; S180-M182 PolarHBondContact O-N 3.08Å |
| 181 | I | 84.6 | Confident | 85.7 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -81.7 | -7.4 | -177.8 | 74.3 | -177.1 | 0 | 0 | 0 | 113 | A146 D178 P179 G183 I186 K199 | A146-I181 HydrophobicContact CB-CD1 4.25Å; A146-I181 HydrophobicContact CB-CG1 3.71Å; D178-I181 WeakPolarHBondContact O-CG1 3.38Å; D178-I181 PolarHBondContact O-N 3.39Å; P179-I181 PolarHBondContact O-N 3.31Å; P179-I181 VanDerWaalsContact O-N 3.16Å; I181-G183 PolarHBondContact O-N 3.43Å; I181-I186 HydrophobicContact CG2-CD1 3.93Å; I181-K199 PolarHBondContact O-N 3.2Å |
| 182 | M | 81.5 | Confident | 86 | Confident | 153 Ų | 153 | 73.9 Ų | 73.9 | 75% | 0.754 | 40% | 0.398 | S | S | * | . | trans | 58.6 | -14.1 | 178.9 | -57 | -178.4 | 75.7 | 0 | 0 | 116 | P179 S180 | P179-M182 PolarHBondContact O-N 3.04Å; S180-M182 VanDerWaalsContact C-N 3.27Å; S180-M182 PolarHBondContact O-N 3.08Å | ||
| 183 | G | 84.6 | Confident | 86.3 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 164.6 | 168.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I181 S197 V198 | I181-G183 PolarHBondContact O-N 3.43Å; G183-S197 WeakPolarHBondContact O-CA 3.34Å; G183-V198 PolarHBondContact O-N 2.87Å |
| 184 | G | 86.7 | Confident | 86.5 | Confident | 42 Ų | 42 | 77 Ų | 77 | 43% | 0.433 | 41% | 0.414 | S | S | . | . | S | Bend | trans | 78.9 | -162 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 185 | M | 87.8 | Confident | 86.7 | Confident | 62 Ų | 62 | 75 Ų | 75 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.6 | -177.4 | 67 | -177.8 | 70.9 | 0 | 0 | 111.9 | T144 T145 L157 V187 M196 S197 | T144-M185 WeakPolarHBondContact O-CA 3.33Å; T145-M185 HydrophobicContact CG2-CB 4Å; L157-M185 HydrophobicContact CD2-CE 4.07Å; L157-M185 HydrophobicContact CD2-SD 3.96Å; M185-V187 HydrophobicContact CG-CG2 4.26Å; M185-V187 HydrophobicContact SD-CG2 4.12Å; M185-M196 CarbonylContact O-C 3.5Å; M185-M196 WeakPolarHBondContact O-CA 3.42Å; M185-M196 PolarHBondContact O-N 3.27Å; M185-S197 PolarHBondContact O-N 2.88Å |
| 186 | I | 89.9 | Confident | 86.7 | Confident | 23 Ų | 23 | 77.5 Ų | 77.5 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.6 | 171.4 | -58.2 | 173.6 | 0 | 0 | 0 | 107 | V143 T144 I181 Y193 | V143-I186 CarbonylContact C-O 3.57Å; V143-I186 WeakPolarHBondContact CA-O 3.35Å; T144-I186 PolarHBondContact N-O 2.93Å; T144-I186 PolarHBondContact O-N 2.7Å; I181-I186 HydrophobicContact CG2-CD1 3.93Å; I186-Y193 HydrophobicContact CG2-CD2 4.27Å; I186-Y193 HydrophobicContact CG2-CE2 3.28Å; I186-Y193 VanDerWaalsContact CG2-CZ 3.47Å; I186-Y193 VanDerWaalsContact CG2-OH 3.22Å; I186-Y193 WeakPolarHBondContact CG2-OH 3.36Å |
| 187 | V | 89.6 | Confident | 86.8 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.2 | -179 | -175.8 | 0 | 0 | 0 | 0 | 109 | V143 L161 M185 I189 V194 | V143-V187 HydrophobicContact CG1-CG2 4.4Å; V143-V187 HydrophobicContact CG2-CG1 4.37Å; V143-V187 HydrophobicContact CG2-CG2 4.43Å; L161-V187 HydrophobicContact CD2-CG1 3.67Å; M185-V187 HydrophobicContact CG-CG2 4.26Å; M185-V187 HydrophobicContact SD-CG2 4.12Å; V187-I189 HydrophobicContact CG1-CD1 4.18Å; V187-I189 HydrophobicContact CG1-CG1 3.82Å; V187-V194 PolarHBondContact N-O 2.91Å; V187-V194 PolarHBondContact O-N 3.09Å |
| 188 | R | 88.2 | Confident | 86.9 | Confident | 149 Ų | 149 | 71.1 Ų | 71.1 | 56% | 0.562 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.9 | 173.5 | -172 | 175.3 | -173.4 | 152.9 | 2.5 | 109.6 | C141 T142 K192 Y193 | C141-R188 CarbonylContact C-O 3.57Å; C141-R188 VanDerWaalsContact CA-O 3.27Å; C141-R188 WeakPolarHBondContact CA-O 3.49Å; T142-R188 PolarHBondContact N-O 3.14Å; T142-R188 PolarHBondContact O-N 3.44Å; R188-K192 WeakPolarHBondContact CA-O 3.26Å; R188-Y193 HydrophobicContact CB-CD2 4.36Å; R188-Y193 HydrophobicContact CG-CD2 4.48Å |
| 189 | I | 86.3 | Confident | 87 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.108 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 95.4 | 179.8 | -54.2 | 174.2 | 0 | 0 | 0 | 107.5 | V139 L161 F164 L165 V187 E191 K192 | V139-I189 HydrophobicContact CG1-CG2 3.78Å; L161-I189 HydrophobicContact CD2-CD1 3.89Å; F164-I189 HydrophobicContact CB-CD1 4.38Å; L165-I189 HydrophobicContact CD2-CG2 3.99Å; V187-I189 HydrophobicContact CG1-CD1 4.18Å; V187-I189 HydrophobicContact CG1-CG1 3.82Å; I189-E191 PolarHBondContact O-N 3.22Å; I189-K192 HydrophobicContact CB-CB 4.42Å; I189-K192 PolarHBondContact N-O 2.98Å; I189-K192 PolarHBondContact O-N 3.45Å |
| 190 | G | 80.4 | Confident | 87.3 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -109.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L140 | L140-G190 PolarHBondContact O-N 2.85Š|
| 191 | E | 82.4 | Confident | 87.5 | Confident | 197 Ų | 197 | 71.8 Ų | 71.8 | 92% | 0.921 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -19.4 | 177.5 | -62.7 | -176.5 | 169.8 | 0 | 0 | 114 | I189 | I189-E191 PolarHBondContact O-N 3.22Š|
| 192 | K | 85.3 | Confident | 87.9 | Confident | 133 Ų | 133 | 76.2 Ų | 76.2 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.3 | 179.6 | -61.7 | 179.5 | -175.6 | 177.4 | 0 | 109.4 | R188 I189 | R188-K192 WeakPolarHBondContact CA-O 3.26Å; I189-K192 HydrophobicContact CB-CB 4.42Å; I189-K192 PolarHBondContact N-O 2.98Å; I189-K192 PolarHBondContact O-N 3.45Å |
| 193 | Y | 88.4 | Confident | 88.4 | Confident | 128 Ų | 128 | 73.2 Ų | 73.2 | 50% | 0.502 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.9 | 179.8 | -179.3 | -98.6 | 0 | 0 | 0 | 109.8 | I186 R188 D195 | I186-Y193 HydrophobicContact CG2-CD2 4.27Å; I186-Y193 HydrophobicContact CG2-CE2 3.28Å; I186-Y193 VanDerWaalsContact CG2-CZ 3.47Å; I186-Y193 VanDerWaalsContact CG2-OH 3.22Å; I186-Y193 WeakPolarHBondContact CG2-OH 3.36Å; R188-Y193 HydrophobicContact CB-CD2 4.36Å; R188-Y193 HydrophobicContact CG-CD2 4.48Å; Y193-D195 HydrophobicContact CD1-CB 4.38Å; Y193-D195 HydrophobicContact CE1-CB 3.54Å |
| 194 | V | 88.4 | Confident | 88.7 | Confident | 77 Ų | 77 | 79 Ų | 79 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114 | 178.4 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | V187 M196 | V187-V194 PolarHBondContact N-O 2.91Å; V187-V194 PolarHBondContact O-N 3.09Å; V194-M196 HydrophobicContact CG1-CG 4.23Å |
| 195 | D | 90.3 | Very high | 89 | Confident | 40 Ų | 40 | 82.5 Ų | 82.5 | 21% | 0.214 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 113.6 | 178.7 | -175.5 | -6.4 | 0 | 0 | 0 | 110.1 | Y193 S197 T200 | Y193-D195 HydrophobicContact CD1-CB 4.38Å; Y193-D195 HydrophobicContact CE1-CB 3.54Å; D195-S197 WeakPolarHBondContact OD1-CB 3.46Å; D195-S197 PolarHBondContact OD1-N 3.46Å; D195-S197 PolarHBondContact OD1-OG 2.71Å; D195-T200 WeakPolarHBondContact OD2-CB 3.38Å; D195-T200 PolarHBondContact OD2-OG1 2.82Å |
| 196 | M | 87.9 | Confident | 89.3 | Confident | 111 Ų | 111 | 80.8 Ų | 80.8 | 55% | 0.547 | 40% | 0.398 | S | S | . | . | trans | -116.6 | 22.2 | 173 | -61.3 | -166.5 | 117 | 0 | 0 | 111.7 | M185 V194 | M185-M196 CarbonylContact O-C 3.5Å; M185-M196 WeakPolarHBondContact O-CA 3.42Å; M185-M196 PolarHBondContact O-N 3.27Å; V194-M196 HydrophobicContact CG1-CG 4.23Å | ||
| 197 | S | 91.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 86.9 Ų | 86.9 | 1% | 0.007 | 42% | 0.419 | C | S | . | . | trans | -67.1 | 146.5 | 178.6 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | G183 M185 D195 K199 T200 K201 | G183-S197 WeakPolarHBondContact O-CA 3.34Å; M185-S197 PolarHBondContact O-N 2.88Å; D195-S197 WeakPolarHBondContact OD1-CB 3.46Å; D195-S197 PolarHBondContact OD1-N 3.46Å; D195-S197 PolarHBondContact OD1-OG 2.71Å; S197-K199 VanDerWaalsContact C-N 3.3Å; S197-K199 PolarHBondContact O-N 3.45Å; S197-T200 PolarHBondContact O-N 3.05Å; S197-T200 WeakPolarHBondContact OG-CB 3.44Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.11Å; S197-T200 VanDerWaalsContact OG-OG1 3.05Å; S197-K201 WeakPolarHBondContact O-CG 3.45Å; S197-K201 PolarHBondContact O-N 2.91Å | ||
| 198 | V | 91.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.4 | 176 | 0 | 0 | 0 | 0 | 110.2 | G183 T200 K201 I202 | G183-V198 PolarHBondContact O-N 2.87Å; V198-T200 PolarHBondContact O-N 3.26Å; V198-K201 PolarHBondContact O-N 2.92Å; V198-I202 HydrophobicContact CG1-CD1 3.79Å; V198-I202 HydrophobicContact CG1-CG1 4.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.24Å; V198-I202 PolarHBondContact O-N 3.39Å |
| 199 | K | 89.9 | Confident | 89.8 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -51.8 | -51.8 | 174.3 | -178 | 177.3 | -176.7 | 173.2 | 0 | 112.6 | I181 S197 K201 I202 Q203 | I181-K199 PolarHBondContact O-N 3.2Å; S197-K199 VanDerWaalsContact C-N 3.3Å; S197-K199 PolarHBondContact O-N 3.45Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 3.29Å; K199-I202 PolarHBondContact O-N 3.37Å; K199-Q203 WeakPolarHBondContact O-CG 3.01Å; K199-Q203 PolarHBondContact O-N 3.16Å |
| 200 | T | 91.4 | Very high | 90 | Very high | 31 Ų | 31 | 95.5 Ų | 95.5 | 19% | 0.19 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.9 | -35.8 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | D195 S197 V198 Q203 K204 | D195-T200 WeakPolarHBondContact OD2-CB 3.38Å; D195-T200 PolarHBondContact OD2-OG1 2.82Å; S197-T200 PolarHBondContact O-N 3.05Å; S197-T200 WeakPolarHBondContact OG-CB 3.44Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.11Å; S197-T200 VanDerWaalsContact OG-OG1 3.05Å; V198-T200 PolarHBondContact O-N 3.26Å; T200-Q203 PolarHBondContact O-N 3.26Å; T200-K204 HydrophobicContact CG2-CD 4.31Å; T200-K204 WeakPolarHBondContact O-CG 3.18Å; T200-K204 PolarHBondContact O-N 2.99Å |
| 201 | K | 91.2 | Very high | 90.4 | Very high | 116 Ų | 116 | 101.5 Ų | 101.5 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 175.1 | -70.7 | 179.2 | -177.7 | -179.2 | 0 | 112.1 | S197 V198 K199 Q203 K204 L205 | S197-K201 WeakPolarHBondContact O-CG 3.45Å; S197-K201 PolarHBondContact O-N 2.91Å; V198-K201 PolarHBondContact O-N 2.92Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 3.29Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.03Å; K201-K204 PolarHBondContact O-N 3.28Å; K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 3.26Å |
| 202 | I | 93 | Very high | 90.2 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.9 | -65.6 | 169.8 | 0 | 0 | 0 | 110.6 | V198 K199 K204 L205 G206 | V198-I202 HydrophobicContact CG1-CD1 3.79Å; V198-I202 HydrophobicContact CG1-CG1 4.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.24Å; V198-I202 PolarHBondContact O-N 3.39Å; K199-I202 PolarHBondContact O-N 3.37Å; I202-K204 VanDerWaalsContact C-N 3.34Å; I202-K204 PolarHBondContact O-N 3.08Å; I202-L205 PolarHBondContact O-N 3.04Å; I202-G206 PolarHBondContact O-N 3.09Å |
| 203 | Q | 91.8 | Very high | 88.7 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.1 | -73.8 | -177.6 | -4.3 | 0 | 0 | 112.8 | K199 T200 K201 R207 | K199-Q203 WeakPolarHBondContact O-CG 3.01Å; K199-Q203 PolarHBondContact O-N 3.16Å; T200-Q203 PolarHBondContact O-N 3.26Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.03Å; Q203-R207 VanDerWaalsContact O-CG 3.3Å; Q203-R207 WeakPolarHBondContact O-CG 3.37Å; Q203-R207 PolarHBondContact O-N 2.62Å |
| 204 | K | 92.1 | Very high | 88.7 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 175.9 | -75.4 | 175.8 | 178.1 | -179.9 | 0 | 111.6 | T200 K201 I202 R207 A208 | T200-K204 HydrophobicContact CG2-CD 4.31Å; T200-K204 WeakPolarHBondContact O-CG 3.18Å; T200-K204 PolarHBondContact O-N 2.99Å; K201-K204 PolarHBondContact O-N 3.28Å; I202-K204 VanDerWaalsContact C-N 3.34Å; I202-K204 PolarHBondContact O-N 3.08Å; K204-R207 PolarHBondContact O-N 2.9Å; K204-A208 PolarHBondContact O-N 3.26Å |
| 205 | L | 93.1 | Very high | 88.7 | Confident | 117 Ų | 117 | 101.1 Ų | 101.1 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -47 | 176.3 | -69.3 | 170.3 | 0 | 0 | 0 | 111.8 | K201 I202 R207 A208 M209 | K201-L205 WeakPolarHBondContact O-CG 3.38Å; K201-L205 PolarHBondContact O-N 3.26Å; I202-L205 PolarHBondContact O-N 3.04Å; L205-R207 PolarHBondContact O-N 3.33Å; L205-A208 PolarHBondContact O-N 3.47Å; L205-M209 WeakPolarHBondContact O-CG 3.31Å; L205-M209 PolarHBondContact O-N 3.01Å |
| 206 | G | 93 | Very high | 88.6 | Confident | 25 Ų | 25 | 104.5 Ų | 104.5 | 26% | 0.258 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -19.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I202 R210 | I202-G206 PolarHBondContact O-N 3.09Å; G206-R210 WeakPolarHBondContact O-CG 3.43Å; G206-R210 PolarHBondContact O-NE 3Å |
| 207 | R | 93.8 | Very high | 88.6 | Confident | 152 Ų | 152 | 104.1 Ų | 104.1 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78.4 | -48.4 | 169.4 | -76.4 | 176.4 | -172.3 | -172.8 | 2.6 | 110.9 | Q203 K204 L205 M209 R210 E211 | Q203-R207 VanDerWaalsContact O-CG 3.3Å; Q203-R207 WeakPolarHBondContact O-CG 3.37Å; Q203-R207 PolarHBondContact O-N 2.62Å; K204-R207 PolarHBondContact O-N 2.9Å; L205-R207 PolarHBondContact O-N 3.33Å; R207-M209 VanDerWaalsContact C-N 3.28Å; R207-M209 PolarHBondContact O-N 2.83Å; R207-R210 PolarHBondContact O-N 3.45Å; R207-E211 PolarHBondContact O-N 3.14Å |
| 208 | A | 92.6 | Very high | 88.5 | Confident | 51 Ų | 51 | 110.6 Ų | 110.6 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -56.5 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | K204 L205 R210 E211 T212 | K204-A208 PolarHBondContact O-N 3.26Å; L205-A208 PolarHBondContact O-N 3.47Å; A208-R210 VanDerWaalsContact C-N 3.3Å; A208-R210 PolarHBondContact O-N 3.37Å; A208-E211 PolarHBondContact O-N 3.08Å; A208-T212 PolarHBondContact O-N 3.43Å; A208-T212 PolarHBondContact O-OG1 3.1Å; A208-T212 VanDerWaalsContact O-OG1 3.09Å |
| 209 | M | 91.6 | Very high | 88.3 | Confident | 136 Ų | 136 | 114 Ų | 114 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.9 | -29.6 | 176.5 | -72.6 | 178.6 | 150.3 | 0 | 0 | 114.1 | L205 R207 T212 | L205-M209 WeakPolarHBondContact O-CG 3.31Å; L205-M209 PolarHBondContact O-N 3.01Å; R207-M209 VanDerWaalsContact C-N 3.28Å; R207-M209 PolarHBondContact O-N 2.83Å; M209-T212 WeakPolarHBondContact CA-OG1 3.25Å; M209-T212 PolarHBondContact O-OG1 3.28Å |
| 210 | R | 90.6 | Very high | 88.2 | Confident | 175 Ų | 175 | 115.6 Ų | 115.6 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -83.1 | -27.1 | 178.7 | -83.8 | -176.3 | -74.9 | -172.7 | -4.3 | 113.3 | G206 R207 A208 T212 | G206-R210 WeakPolarHBondContact O-CG 3.43Å; G206-R210 PolarHBondContact O-NE 3Å; R207-R210 PolarHBondContact O-N 3.45Å; A208-R210 VanDerWaalsContact C-N 3.3Å; A208-R210 PolarHBondContact O-N 3.37Å; R210-T212 VanDerWaalsContact C-N 3.34Å |
| 211 | E | 90 | Very high | 87.9 | Confident | 166 Ų | 166 | 122.2 Ų | 122.2 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.8 | -23.9 | 174.7 | -79.2 | 175.5 | 162.9 | 0 | 0 | 112.4 | R207 A208 L213 | R207-E211 PolarHBondContact O-N 3.14Å; A208-E211 PolarHBondContact O-N 3.08Å; E211-L213 VanDerWaalsContact C-N 3.34Å |
| 212 | T | 77 | Confident | 87.7 | Confident | 119 Ų | 119 | 122.7 Ų | 122.7 | 73% | 0.73 | 61% | 0.608 | S | S | * | * | trans | -84.4 | -3.4 | 177.8 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | A208 M209 R210 | A208-T212 PolarHBondContact O-N 3.43Å; A208-T212 PolarHBondContact O-OG1 3.1Å; A208-T212 VanDerWaalsContact O-OG1 3.09Å; M209-T212 WeakPolarHBondContact CA-OG1 3.25Å; M209-T212 PolarHBondContact O-OG1 3.28Å; R210-T212 VanDerWaalsContact C-N 3.34Å | ||
| 213 | L | 53.3 | Low | 87.2 | Confident | 206 Ų | 206 | 124.8 Ų | 124.8 | 100% | 1.079 | 62% | 0.617 | S | S | * | * | trans | -110.4 | 0 | 176.3 | -83.4 | 164.3 | 0 | 0 | 0 | 109.8 | E211 | E211-L213 VanDerWaalsContact C-N 3.34Š|
Retrieved 213 of 213 residues in 94.8 ms
(Link to these results)