| 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 | 38.8 | Very low | 50.3 | Low | 244 Ų | 244 | 152.3 Ų | 152.3 | 100% | 1.202 | 79% | 0.79 | S | S | * | * | 0 | 119.8 | 0 | -73.8 | 158.2 | 163.7 | 0 | 0 | 107.3 | |||||
| 2 | V | 41.7 | Very low | 52.2 | Low | 142 Ų | 142 | 152 Ų | 152 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -81 | 129 | 162 | 179.3 | 0 | 0 | 0 | 0 | 105.4 | E4 | V2-E4 PolarHBondContact O-N 3.05Š| ||
| 3 | G | 45.1 | Very low | 54.1 | Low | 63 Ų | 63 | 142.8 Ų | 142.8 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -68.1 | 120.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | T5 | G3-T5 PolarHBondContact O-N 3.06Š| ||
| 4 | E | 43.5 | Very low | 56.1 | Low | 194 Ų | 194 | 138.5 Ų | 138.5 | 91% | 0.907 | 72% | 0.715 | S | S | * | * | trans | -63.1 | 108.8 | 169.5 | -66 | -178.7 | 152 | 0 | 0 | 107.6 | V2 E6 | V2-E4 PolarHBondContact O-N 3.05Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.03Å | ||
| 5 | T | 51.4 | Low | 57.9 | Low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | trans | -70.1 | 93.1 | 174.4 | 50.8 | 0 | 0 | 0 | 0 | 107.8 | G3 V7 | G3-T5 PolarHBondContact O-N 3.06Å; T5-V7 PolarHBondContact O-N 2.65Å | ||
| 6 | E | 45.3 | Very low | 59.7 | Low | 182 Ų | 182 | 128.4 Ų | 128.4 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | trans | -44.9 | 110.6 | 174.9 | -175.4 | 179.7 | -139.4 | 0 | 0 | 109.1 | E4 K8 | E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.03Å; E6-K8 PolarHBondContact O-N 3.1Å | ||
| 7 | V | 48.9 | Very low | 61.5 | Low | 132 Ų | 132 | 124.2 Ų | 124.2 | 80% | 0.8 | 64% | 0.64 | S | S | * | * | trans | -76.1 | 79.1 | -177.4 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | T5 E9 | T5-V7 PolarHBondContact O-N 2.65Å; V7-E9 PolarHBondContact O-N 2.73Å | ||
| 8 | K | 50.1 | Low | 63.1 | Low | 184 Ų | 184 | 117.5 Ų | 117.5 | 80% | 0.8 | 61% | 0.606 | S | S | * | * | trans | -44.4 | 107.2 | -179.7 | -177.7 | 174.4 | -177 | 173.2 | 0 | 109.5 | E6 R10 | E6-K8 PolarHBondContact O-N 3.1Å; K8-R10 PolarHBondContact O-N 3.32Å | ||
| 9 | E | 58.5 | Low | 64.4 | Low | 164 Ų | 164 | 113.6 Ų | 113.6 | 77% | 0.766 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 128.1 | -172.8 | -71.7 | -160.8 | 146.4 | 0 | 0 | 109.8 | V7 | V7-E9 PolarHBondContact O-N 2.73Š|
| 10 | R | 63.8 | Low | 65.7 | Low | 186 Ų | 186 | 113.5 Ų | 113.5 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 140.8 | 177.6 | -64.8 | -171.1 | -177.1 | -146 | 3.7 | 108.8 | K8 K12 | K8-R10 PolarHBondContact O-N 3.32Å; R10-K12 PolarHBondContact O-N 2.78Å |
| 11 | P | 66.6 | Low | 67 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 132.2 | 179.4 | 23 | -33 | 0 | 0 | 0 | 110.3 | Y17 R51 | P11-Y17 HydrophobicContact CB-CD1 4.24Å; P11-Y17 HydrophobicContact CB-CE1 3.83Å; P11-Y17 HydrophobicContact CB-CE2 4.48Å; P11-Y17 HydrophobicContact CG-CD1 4.43Å; P11-Y17 HydrophobicContact CG-CE1 3.54Å; P11-Y17 HydrophobicContact CG-CE2 4.42Å; P11-Y17 WeakPolarHBondContact CG-OH 3.4Å; P11-R51 PolarHBondContact O-NH2 3.11Å |
| 12 | K | 72.1 | Confident | 69.3 | Low | 149 Ų | 149 | 97.3 Ų | 97.3 | 65% | 0.648 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 146.6 | -175.8 | -63.7 | -177.7 | -179.3 | 179.8 | 0 | 110.6 | R10 N14 | R10-K12 PolarHBondContact O-N 2.78Å; K12-N14 PolarHBondContact O-N 3.44Å |
| 13 | S | 77 | Confident | 71.6 | Confident | 33 Ų | 33 | 93.7 Ų | 93.7 | 23% | 0.231 | 48% | 0.477 | C | S | . | . | trans | -69.8 | 57.8 | -175.4 | 38.3 | 0 | 0 | 0 | 0 | 113.3 | D55 M56 | S13-D55 VanDerWaalsContact CB-CB 3.49Å; S13-M56 WeakPolarHBondContact O-CG 3.38Å | ||
| 14 | N | 82.4 | Confident | 73.7 | Confident | 82 Ų | 82 | 94 Ų | 94 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | trans | -89.3 | 148 | -175.8 | -68 | -17.6 | 0 | 0 | 0 | 112.1 | K12 D16 Y17 L18 | K12-N14 PolarHBondContact O-N 3.44Å; N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.97Å; N14-Y17 PolarHBondContact O-N 2.59Å; N14-L18 PolarHBondContact O-N 2.78Å | ||
| 15 | P | 84.1 | Confident | 75.9 | Confident | 34 Ų | 34 | 88.5 Ų | 88.5 | 22% | 0.221 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 177.4 | 25.8 | -34.3 | 0 | 0 | 0 | 112.8 | Y17 L18 M19 M56 M197 | P15-Y17 VanDerWaalsContact C-N 3.31Å; P15-Y17 PolarHBondContact O-N 3.39Å; P15-L18 WeakPolarHBondContact O-CB 3Å; P15-L18 PolarHBondContact O-N 3.22Å; P15-M19 PolarHBondContact O-N 3.39Å; P15-M56 HydrophobicContact CB-CE 4.15Å; P15-M197 HydrophobicContact CB-CE 3.83Å; P15-M197 HydrophobicContact CB-SD 3.6Å; P15-M197 VanDerWaalsContact CB-SD 3.6Å; P15-M197 HydrophobicContact CG-SD 4.32Å |
| 16 | D | 86.8 | Confident | 77.6 | Confident | 82 Ų | 82 | 86.8 Ų | 86.8 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 179.4 | -38.8 | -31.5 | 0 | 0 | 0 | 111 | N14 M19 Q20 | N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.97Å; D16-M19 WeakPolarHBondContact O-CB 3.19Å; D16-M19 PolarHBondContact O-N 3.06Å; D16-Q20 PolarHBondContact O-N 3.12Å |
| 17 | Y | 90.3 | Very high | 79.6 | Confident | 57 Ų | 57 | 82 Ų | 82 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.1 | -42.1 | 175.2 | -176.4 | -128.3 | 0 | 0 | 0 | 111.2 | P11 N14 P15 M19 Q20 L21 E48 V52 | P11-Y17 HydrophobicContact CB-CD1 4.24Å; P11-Y17 HydrophobicContact CB-CE1 3.83Å; P11-Y17 HydrophobicContact CB-CE2 4.48Å; P11-Y17 HydrophobicContact CG-CD1 4.43Å; P11-Y17 HydrophobicContact CG-CE1 3.54Å; P11-Y17 HydrophobicContact CG-CE2 4.42Å; P11-Y17 WeakPolarHBondContact CG-OH 3.4Å; N14-Y17 PolarHBondContact O-N 2.59Å; P15-Y17 VanDerWaalsContact C-N 3.31Å; P15-Y17 PolarHBondContact O-N 3.39Å; Y17-M19 VanDerWaalsContact C-N 3.3Å; Y17-M19 PolarHBondContact O-N 3.3Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Y17-L21 HydrophobicContact CD1-CD1 4.02Å; Y17-L21 HydrophobicContact CD2-CG 4.34Å; Y17-L21 HydrophobicContact CE1-CD1 3.72Å; Y17-L21 HydrophobicContact CE1-CG 4.35Å; Y17-L21 HydrophobicContact CE2-CD1 4.29Å; Y17-L21 HydrophobicContact CE2-CD2 3.97Å; Y17-L21 HydrophobicContact CE2-CG 4.02Å; Y17-L21 HydrophobicContact CG-CD1 4.43Å; Y17-L21 WeakPolarHBondContact O-CG 3.43Å; Y17-L21 PolarHBondContact O-N 2.86Å; Y17-E48 HydrophobicContact CE1-CG 4.46Å; Y17-E48 PolarHBondContact OH-OE1 2.68Å; Y17-V52 HydrophobicContact CD1-CG2 3.84Å; Y17-V52 HydrophobicContact CE1-CG2 3.77Å |
| 18 | L | 88.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 171.4 | -178.5 | 59.9 | 0 | 0 | 0 | 111.7 | N14 P15 M22 I49 V52 R53 M56 | N14-L18 PolarHBondContact O-N 2.78Å; P15-L18 WeakPolarHBondContact O-CB 3Å; P15-L18 PolarHBondContact O-N 3.22Å; L18-M22 HydrophobicContact CD1-CG 4.13Å; L18-M22 HydrophobicContact CD1-SD 3.7Å; L18-M22 HydrophobicContact CD2-SD 4.38Å; L18-M22 HydrophobicContact CG-SD 3.7Å; L18-M22 VanDerWaalsContact O-CB 3.3Å; L18-M22 WeakPolarHBondContact O-CB 3.42Å; L18-M22 WeakPolarHBondContact O-CG 3.49Å; L18-M22 PolarHBondContact O-N 3.05Å; L18-I49 HydrophobicContact CD1-CG2 4.16Å; L18-V52 HydrophobicContact CB-CG1 3.91Å; L18-V52 HydrophobicContact CD1-CG1 4.23Å; L18-R53 HydrophobicContact CD1-CG 4.09Å; L18-R53 HydrophobicContact CD2-CG 4.2Å; L18-M56 HydrophobicContact CD2-SD 3.98Å |
| 19 | M | 89.3 | Confident | 82.7 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 22% | 0.217 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 173.9 | 174.4 | 167.2 | 60.1 | 0 | 0 | 112.2 | P15 D16 Y17 M22 N23 I201 Y206 | P15-M19 PolarHBondContact O-N 3.39Å; D16-M19 WeakPolarHBondContact O-CB 3.19Å; D16-M19 PolarHBondContact O-N 3.06Å; Y17-M19 VanDerWaalsContact C-N 3.3Å; Y17-M19 PolarHBondContact O-N 3.3Å; M19-M22 PolarHBondContact O-N 3.44Å; M19-N23 WeakPolarHBondContact O-CB 3.4Å; M19-N23 VanDerWaalsContact O-CG 3.29Å; M19-N23 PolarHBondContact O-N 3.39Å; M19-N23 PolarHBondContact O-ND2 3.35Å; M19-I201 HydrophobicContact CB-CD1 4.11Å; M19-I201 HydrophobicContact CB-CG1 4.22Å; M19-I201 HydrophobicContact CB-CG2 3.93Å; M19-I201 HydrophobicContact CG-CG2 4.08Å; M19-Y206 HydrophobicContact CE-CD1 4.17Å; M19-Y206 HydrophobicContact SD-CD1 3.97Å |
| 20 | Q | 90.5 | Very high | 83.8 | Confident | 111 Ų | 111 | 67.8 Ų | 67.8 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -54.5 | 176.3 | -175.6 | 173.2 | -2.1 | 0 | 0 | 111.2 | D16 Y17 M22 N23 D24 | D16-Q20 PolarHBondContact O-N 3.12Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Q20-M22 PolarHBondContact O-N 3.18Å; Q20-N23 CarbonylContact O-C 3.57Å; Q20-N23 WeakPolarHBondContact O-CA 3.49Å; Q20-N23 PolarHBondContact O-N 3.18Å; Q20-D24 PolarHBondContact O-N 2.78Å |
| 21 | L | 91.4 | Very high | 84.6 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.7 | -39.5 | 178.3 | -63.8 | 168.8 | 0 | 0 | 0 | 112.2 | Y17 N23 D24 R25 L45 E48 I49 V52 | Y17-L21 HydrophobicContact CD1-CD1 4.02Å; Y17-L21 HydrophobicContact CD2-CG 4.34Å; Y17-L21 HydrophobicContact CE1-CD1 3.72Å; Y17-L21 HydrophobicContact CE1-CG 4.35Å; Y17-L21 HydrophobicContact CE2-CD1 4.29Å; Y17-L21 HydrophobicContact CE2-CD2 3.97Å; Y17-L21 HydrophobicContact CE2-CG 4.02Å; Y17-L21 HydrophobicContact CG-CD1 4.43Å; Y17-L21 WeakPolarHBondContact O-CG 3.43Å; Y17-L21 PolarHBondContact O-N 2.86Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-D24 PolarHBondContact O-N 3.42Å; L21-R25 WeakPolarHBondContact O-CB 3.44Å; L21-R25 PolarHBondContact O-N 2.91Å; L21-L45 HydrophobicContact CB-CD1 4.06Å; L21-L45 HydrophobicContact CD2-CD1 3.5Å; L21-L45 HydrophobicContact CG-CD1 4.38Å; L21-E48 HydrophobicContact CD1-CG 3.9Å; L21-E48 HydrophobicContact CD2-CG 4.14Å; L21-I49 HydrophobicContact CB-CD1 4.16Å; L21-I49 HydrophobicContact CB-CG1 3.62Å; L21-I49 HydrophobicContact CD1-CG1 4.24Å; L21-V52 HydrophobicContact CD1-CG2 4Å |
| 22 | M | 88.3 | Confident | 84.6 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 4% | 0.044 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.5 | -22.2 | 178.3 | -71.1 | 175.2 | 65.8 | 0 | 0 | 113.5 | L18 M19 Q20 K26 I49 E198 I201 L202 | L18-M22 HydrophobicContact CD1-CG 4.13Å; L18-M22 HydrophobicContact CD1-SD 3.7Å; L18-M22 HydrophobicContact CD2-SD 4.38Å; L18-M22 HydrophobicContact CG-SD 3.7Å; L18-M22 VanDerWaalsContact O-CB 3.3Å; L18-M22 WeakPolarHBondContact O-CB 3.42Å; L18-M22 WeakPolarHBondContact O-CG 3.49Å; L18-M22 PolarHBondContact O-N 3.05Å; M19-M22 PolarHBondContact O-N 3.44Å; Q20-M22 PolarHBondContact O-N 3.18Å; M22-K26 VanDerWaalsContact O-CG 3.29Å; M22-K26 WeakPolarHBondContact O-CG 3.2Å; M22-K26 PolarHBondContact O-N 3.31Å; M22-I49 HydrophobicContact CG-CD1 4.27Å; M22-E198 HydrophobicContact CE-CG 4.05Å; M22-E198 HydrophobicContact SD-CG 4.22Å; M22-I201 HydrophobicContact CB-CG2 4.36Å; M22-I201 HydrophobicContact CE-CG2 4.11Å; M22-I201 HydrophobicContact SD-CG2 4.06Å; M22-L202 HydrophobicContact CE-CD1 4.46Å; M22-L202 HydrophobicContact CE-CD2 3.36Å; M22-L202 HydrophobicContact CE-CG 3.54Å |
| 23 | N | 89.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -82.5 | -41.9 | 170.6 | -71.6 | -25.9 | 0 | 0 | 0 | 111.3 | M19 Q20 L21 R25 K26 V27 | M19-N23 WeakPolarHBondContact O-CB 3.4Å; M19-N23 VanDerWaalsContact O-CG 3.29Å; M19-N23 PolarHBondContact O-N 3.39Å; M19-N23 PolarHBondContact O-ND2 3.35Å; Q20-N23 CarbonylContact O-C 3.57Å; Q20-N23 WeakPolarHBondContact O-CA 3.49Å; Q20-N23 PolarHBondContact O-N 3.18Å; L21-N23 VanDerWaalsContact C-N 3.33Å; N23-R25 PolarHBondContact O-N 3.26Å; N23-K26 WeakPolarHBondContact O-CB 3.23Å; N23-K26 PolarHBondContact O-N 2.86Å; N23-K26 PolarHBondContact OD1-NZ 3.49Å; N23-V27 WeakPolarHBondContact O-CG2 3.44Å; N23-V27 PolarHBondContact O-N 3.38Å |
| 24 | D | 89.8 | Confident | 83.4 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.1 | -40.1 | 172.4 | -64.7 | -25.8 | 0 | 0 | 0 | 110.7 | Q20 L21 V27 M28 L45 | Q20-D24 PolarHBondContact O-N 2.78Å; L21-D24 PolarHBondContact O-N 3.42Å; D24-V27 PolarHBondContact O-N 3.1Å; D24-M28 WeakPolarHBondContact O-CG 3.46Å; D24-M28 PolarHBondContact O-N 3.4Å; D24-L45 HydrophobicContact CB-CD2 4.21Å |
| 25 | R | 88.6 | Confident | 82.4 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.3 | -172.6 | -178.9 | 179.5 | 147.9 | 20.5 | 112.1 | L21 N23 V27 M28 S29 E42 L45 D46 I49 | L21-R25 WeakPolarHBondContact O-CB 3.44Å; L21-R25 PolarHBondContact O-N 2.91Å; N23-R25 PolarHBondContact O-N 3.26Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 3.39Å; R25-M28 PolarHBondContact O-N 3.41Å; R25-S29 PolarHBondContact O-N 2.95Å; R25-S29 PolarHBondContact O-OG 3.34Å; R25-E42 IonicContact NH2-OE1 2.91Å; R25-L45 HydrophobicContact CB-CD2 3.66Å; R25-L45 HydrophobicContact CB-CG 4.49Å; R25-L45 HydrophobicContact CG-CD2 4.37Å; R25-D46 IonicContact CZ-OD1 3.02Å; R25-D46 IonicContact CZ-OD2 2.78Å; R25-D46 IonicContact NE-OD1 3.79Å; R25-D46 PolarHBondContact NE-OD1 3.46Å; R25-D46 IonicContact NH1-OD1 3.95Å; R25-D46 PolarHBondContact NH1-OD1 2.8Å; R25-D46 IonicContact NH1-OD2 2.8Å; R25-D46 PolarHBondContact NH1-OD2 3.49Å; R25-D46 VanDerWaalsContact NH2-CG 3.29Å; R25-D46 IonicContact NH2-OD1 2.75Å; R25-D46 PolarHBondContact NH2-OD1 3.08Å; R25-D46 IonicContact NH2-OD2 2.76Å; R25-D46 PolarHBondContact NH2-OD2 3.31Å; R25-I49 HydrophobicContact CB-CD1 4.19Å |
| 26 | K | 87.3 | Confident | 81.5 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 176.3 | -70.6 | 165 | -166.9 | 165.5 | 0 | 110.4 | M22 N23 S30 I201 | M22-K26 VanDerWaalsContact O-CG 3.29Å; M22-K26 WeakPolarHBondContact O-CG 3.2Å; M22-K26 PolarHBondContact O-N 3.31Å; N23-K26 WeakPolarHBondContact O-CB 3.23Å; N23-K26 PolarHBondContact O-N 2.86Å; N23-K26 PolarHBondContact OD1-NZ 3.49Å; K26-S30 WeakPolarHBondContact O-CB 3.35Å; K26-S30 PolarHBondContact O-N 2.94Å; K26-S30 PolarHBondContact O-OG 2.93Å; K26-I201 PolarHBondContact NZ-O 3.02Å |
| 27 | V | 87.8 | Confident | 81 | Confident | 82 Ų | 82 | 68.7 Ų | 68.7 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -54.2 | 177.4 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | N23 D24 R25 S29 S30 L31 | N23-V27 WeakPolarHBondContact O-CG2 3.44Å; N23-V27 PolarHBondContact O-N 3.38Å; D24-V27 PolarHBondContact O-N 3.1Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 3.39Å; V27-S29 PolarHBondContact O-N 2.82Å; V27-S30 PolarHBondContact O-N 3.36Å; V27-S30 PolarHBondContact O-OG 2.82Å; V27-L31 HydrophobicContact CG1-CD1 4.26Å; V27-L31 WeakPolarHBondContact O-CG 3.34Å; V27-L31 PolarHBondContact O-N 2.94Å |
| 28 | M | 82.6 | Confident | 80.4 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 20% | 0.197 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | -179.1 | -67.4 | -154 | -50.9 | 0 | 0 | 112.8 | D24 R25 S30 L41 E42 L45 | D24-M28 WeakPolarHBondContact O-CG 3.46Å; D24-M28 PolarHBondContact O-N 3.4Å; R25-M28 PolarHBondContact O-N 3.41Å; M28-S30 PolarHBondContact O-N 3.36Å; M28-L41 HydrophobicContact CE-CB 4.46Å; M28-L41 HydrophobicContact CE-CG 4.11Å; M28-L41 HydrophobicContact SD-CB 4.34Å; M28-L41 HydrophobicContact SD-CD2 3.52Å; M28-L41 VanDerWaalsContact SD-CD2 3.52Å; M28-L41 HydrophobicContact SD-CG 3.72Å; M28-E42 HydrophobicContact CE-CB 4.31Å; M28-L45 HydrophobicContact CE-CB 4.17Å; M28-L45 HydrophobicContact CE-CD2 3.6Å |
| 29 | S | 82.3 | Confident | 80.2 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.2 | -16.2 | 178 | -53.1 | 0 | 0 | 0 | 0 | 113.6 | R25 V27 | R25-S29 PolarHBondContact O-N 2.95Å; R25-S29 PolarHBondContact O-OG 3.34Å; V27-S29 PolarHBondContact O-N 2.82Å |
| 30 | S | 81.7 | Confident | 80.1 | Confident | 80 Ų | 80 | 78.6 Ų | 78.6 | 56% | 0.559 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -85.9 | -18.5 | 179.3 | 72 | 0 | 0 | 0 | 0 | 114.6 | K26 V27 M28 P32 | K26-S30 WeakPolarHBondContact O-CB 3.35Å; K26-S30 PolarHBondContact O-N 2.94Å; K26-S30 PolarHBondContact O-OG 2.93Å; V27-S30 PolarHBondContact O-N 3.36Å; V27-S30 PolarHBondContact O-OG 2.82Å; M28-S30 PolarHBondContact O-N 3.36Å; S30-P32 VanDerWaalsContact O-CD 3.28Å; S30-P32 WeakPolarHBondContact O-CD 3.2Å |
| 31 | L | 79.5 | Confident | 80 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | trans | -81.1 | 108 | -174.1 | -73.6 | 166.8 | 0 | 0 | 0 | 110.8 | V27 N33 F34 S35 | V27-L31 HydrophobicContact CG1-CD1 4.26Å; V27-L31 WeakPolarHBondContact O-CG 3.34Å; V27-L31 PolarHBondContact O-N 2.94Å; L31-N33 PolarHBondContact O-N 3.38Å; L31-N33 VanDerWaalsContact O-N 3.17Å; L31-F34 HydrophobicContact CB-CB 4Å; L31-F34 HydrophobicContact CB-CD2 4.05Å; L31-F34 HydrophobicContact CD1-CD2 4.07Å; L31-F34 HydrophobicContact CG-CD2 4.48Å; L31-F34 PolarHBondContact O-N 3.49Å; L31-S35 PolarHBondContact O-N 2.88Å | ||
| 32 | P | 67.4 | Low | 79.8 | Confident | 111 Ų | 111 | 80.2 Ų | 80.2 | 72% | 0.721 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.5 | -171 | 26.6 | -35.4 | 0 | 0 | 0 | 113 | S30 | S30-P32 VanDerWaalsContact O-CD 3.28Å; S30-P32 WeakPolarHBondContact O-CD 3.2Å |
| 33 | N | 63.2 | Low | 79.9 | Confident | 128 Ų | 128 | 85.2 Ų | 85.2 | 68% | 0.684 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.8 | -179.4 | -61.6 | 4.6 | 0 | 0 | 0 | 113.5 | L31 I37 | L31-N33 PolarHBondContact O-N 3.38Å; L31-N33 VanDerWaalsContact O-N 3.17Å; N33-I37 WeakPolarHBondContact O-CD1 3.44Å |
| 34 | F | 60.7 | Low | 80 | Confident | 93 Ų | 93 | 86.4 Ų | 86.4 | 41% | 0.408 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -14.5 | -176.9 | -67.7 | -69.2 | 0 | 0 | 0 | 113.8 | L31 G36 I37 F38 | L31-F34 HydrophobicContact CB-CB 4Å; L31-F34 HydrophobicContact CB-CD2 4.05Å; L31-F34 HydrophobicContact CD1-CD2 4.07Å; L31-F34 HydrophobicContact CG-CD2 4.48Å; L31-F34 PolarHBondContact O-N 3.49Å; F34-G36 PolarHBondContact O-N 2.8Å; F34-G36 VanDerWaalsContact O-N 3.16Å; F34-I37 HydrophobicContact CD1-CD1 4.24Å; F34-I37 PolarHBondContact O-N 3.01Å; F34-F38 HydrophobicContact CB-CD2 4.13Å; F34-F38 HydrophobicContact CB-CE2 4.13Å; F34-F38 HydrophobicContact CD1-CD2 4.08Å; F34-F38 AromaticContact CD1-CE2 3.33Å; F34-F38 HydrophobicContact CD1-CE2 3.33Å; F34-F38 AromaticContact CD1-CZ 3.93Å; F34-F38 HydrophobicContact CD1-CZ 3.93Å; F34-F38 AromaticContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CZ 4.14Å; F34-F38 HydrophobicContact CG-CD2 4.42Å; F34-F38 AromaticContact CG-CE2 3.91Å; F34-F38 HydrophobicContact CG-CE2 3.91Å |
| 35 | S | 61.5 | Low | 80 | Confident | 84 Ų | 84 | 84.1 Ų | 84.1 | 59% | 0.587 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 117.1 | 167 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | L31 I37 | L31-S35 PolarHBondContact O-N 2.88Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 2.88Å |
| 36 | G | 64.2 | Low | 80.1 | Confident | 51 Ų | 51 | 83 Ų | 83 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -6.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | F34 T39 | F34-G36 PolarHBondContact O-N 2.8Å; F34-G36 VanDerWaalsContact O-N 3.16Å; G36-T39 WeakPolarHBondContact O-CG2 3.21Å |
| 37 | I | 76.2 | Confident | 80.3 | Confident | 107 Ų | 107 | 83.4 Ų | 83.4 | 55% | 0.549 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -49 | 170 | -62.2 | -168.9 | 0 | 0 | 0 | 110 | N33 F34 S35 T39 | N33-I37 WeakPolarHBondContact O-CD1 3.44Å; F34-I37 HydrophobicContact CD1-CD1 4.24Å; F34-I37 PolarHBondContact O-N 3.01Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 2.88Å; I37-T39 VanDerWaalsContact C-N 3.34Å; I37-T39 PolarHBondContact O-N 3.41Å |
| 38 | F | 78.9 | Confident | 80.4 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 44% | 0.443 | 44% | 0.441 | S | S | . | . | trans | -94.4 | 46.5 | -175.2 | -59.4 | -58.9 | 0 | 0 | 0 | 113.3 | F34 H40 L41 E42 | F34-F38 HydrophobicContact CB-CD2 4.13Å; F34-F38 HydrophobicContact CB-CE2 4.13Å; F34-F38 HydrophobicContact CD1-CD2 4.08Å; F34-F38 AromaticContact CD1-CE2 3.33Å; F34-F38 HydrophobicContact CD1-CE2 3.33Å; F34-F38 AromaticContact CD1-CZ 3.93Å; F34-F38 HydrophobicContact CD1-CZ 3.93Å; F34-F38 AromaticContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CZ 4.14Å; F34-F38 HydrophobicContact CG-CD2 4.42Å; F34-F38 AromaticContact CG-CE2 3.91Å; F34-F38 HydrophobicContact CG-CE2 3.91Å; F38-H40 PolarHBondContact O-N 3.35Å; F38-H40 VanDerWaalsContact O-N 3.16Å; F38-L41 HydrophobicContact CB-CB 3.82Å; F38-L41 HydrophobicContact CB-CD2 4.35Å; F38-L41 HydrophobicContact CG-CD2 4.47Å; F38-L41 WeakPolarHBondContact O-CB 3.38Å; F38-L41 PolarHBondContact O-N 3.12Å; F38-E42 PolarHBondContact O-N 2.86Å | ||
| 39 | T | 84.3 | Confident | 80.8 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -52 | -39.4 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | G36 I37 R43 | G36-T39 WeakPolarHBondContact O-CG2 3.21Å; I37-T39 VanDerWaalsContact C-N 3.34Å; I37-T39 PolarHBondContact O-N 3.41Å; T39-R43 WeakPolarHBondContact O-CB 3.38Å; T39-R43 PolarHBondContact O-N 3.18Å |
| 40 | H | 87.3 | Confident | 81.1 | Confident | 138 Ų | 138 | 78.1 Ų | 78.1 | 64% | 0.639 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.9 | -31.3 | 176.7 | -62.3 | -39.1 | 0 | 0 | 0 | 113.4 | F38 L44 | F38-H40 PolarHBondContact O-N 3.35Å; F38-H40 VanDerWaalsContact O-N 3.16Å; H40-L44 WeakPolarHBondContact O-CB 3.15Å; H40-L44 VanDerWaalsContact O-CG 3.22Å; H40-L44 WeakPolarHBondContact O-CG 3.2Å; H40-L44 PolarHBondContact O-N 3.29Å |
| 41 | L | 87.7 | Confident | 81.4 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 45% | 0.445 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -77 | -39.3 | 177.7 | -166.2 | 60.4 | 0 | 0 | 0 | 111 | M28 F38 L44 L45 | M28-L41 HydrophobicContact CE-CB 4.46Å; M28-L41 HydrophobicContact CE-CG 4.11Å; M28-L41 HydrophobicContact SD-CB 4.34Å; M28-L41 HydrophobicContact SD-CD2 3.52Å; M28-L41 VanDerWaalsContact SD-CD2 3.52Å; M28-L41 HydrophobicContact SD-CG 3.72Å; F38-L41 HydrophobicContact CB-CB 3.82Å; F38-L41 HydrophobicContact CB-CD2 4.35Å; F38-L41 HydrophobicContact CG-CD2 4.47Å; F38-L41 WeakPolarHBondContact O-CB 3.38Å; F38-L41 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-L45 WeakPolarHBondContact O-CB 3.41Å; L41-L45 PolarHBondContact O-N 3.32Å |
| 42 | E | 87.4 | Confident | 81.9 | Confident | 69 Ų | 69 | 73.4 Ų | 73.4 | 32% | 0.322 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 170.9 | -175.4 | 170.9 | -156.3 | 0 | 0 | 111 | R25 M28 F38 L45 D46 | R25-E42 IonicContact NH2-OE1 2.91Å; M28-E42 HydrophobicContact CE-CB 4.31Å; F38-E42 PolarHBondContact O-N 2.86Å; E42-L45 PolarHBondContact O-N 2.95Å; E42-D46 WeakPolarHBondContact O-CB 3.47Å; E42-D46 PolarHBondContact O-N 3.11Å |
| 43 | R | 90 | Very high | 82.8 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 43% | 0.434 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 173.3 | -174.6 | -165.5 | 64.6 | 87.3 | 10.9 | 112.3 | T39 L45 D46 E47 | T39-R43 WeakPolarHBondContact O-CB 3.38Å; T39-R43 PolarHBondContact O-N 3.18Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.34Å; R43-D46 PolarHBondContact O-N 3.15Å; R43-E47 WeakPolarHBondContact CD-OE1 3.42Å; R43-E47 VanDerWaalsContact CG-OE1 3.32Å; R43-E47 WeakPolarHBondContact CG-OE1 3.5Å; R43-E47 IonicContact CZ-OE1 3.9Å; R43-E47 IonicContact CZ-OE2 3.9Å; R43-E47 IonicContact NE-OE1 3.11Å; R43-E47 IonicContact NH1-OE1 3.55Å; R43-E47 PolarHBondContact NH1-OE1 3.24Å; R43-E47 IonicContact NH1-OE2 3.48Å; R43-E47 PolarHBondContact NH1-OE2 3.03Å; R43-E47 IonicContact NH2-OE2 2.65Å; R43-E47 WeakPolarHBondContact O-CB 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.88Å |
| 44 | L | 91.7 | Very high | 83.8 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 178.7 | -77.2 | 168.3 | 0 | 0 | 0 | 112 | H40 L41 E47 E48 | H40-L44 WeakPolarHBondContact O-CB 3.15Å; H40-L44 VanDerWaalsContact O-CG 3.22Å; H40-L44 WeakPolarHBondContact O-CG 3.2Å; H40-L44 PolarHBondContact O-N 3.29Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-E47 PolarHBondContact O-N 3.43Å; L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.92Å |
| 45 | L | 90.9 | Very high | 85 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 177.3 | -170.5 | 63.3 | 0 | 0 | 0 | 111.9 | L21 D24 R25 M28 L41 E42 R43 E48 I49 | L21-L45 HydrophobicContact CB-CD1 4.06Å; L21-L45 HydrophobicContact CD2-CD1 3.5Å; L21-L45 HydrophobicContact CG-CD1 4.38Å; D24-L45 HydrophobicContact CB-CD2 4.21Å; R25-L45 HydrophobicContact CB-CD2 3.66Å; R25-L45 HydrophobicContact CB-CG 4.49Å; R25-L45 HydrophobicContact CG-CD2 4.37Å; M28-L45 HydrophobicContact CE-CB 4.17Å; M28-L45 HydrophobicContact CE-CD2 3.6Å; L41-L45 WeakPolarHBondContact O-CB 3.41Å; L41-L45 PolarHBondContact O-N 3.32Å; E42-L45 PolarHBondContact O-N 2.95Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.34Å; L45-E48 PolarHBondContact O-N 3.19Å; L45-I49 HydrophobicContact CD1-CD1 4.46Å; L45-I49 HydrophobicContact CG-CD1 3.98Å; L45-I49 VanDerWaalsContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.43Å |
| 46 | D | 89.8 | Confident | 86 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 173.6 | -90 | 39.3 | 0 | 0 | 0 | 112.7 | R25 E42 R43 G50 | R25-D46 IonicContact CZ-OD1 3.02Å; R25-D46 IonicContact CZ-OD2 2.78Å; R25-D46 IonicContact NE-OD1 3.79Å; R25-D46 PolarHBondContact NE-OD1 3.46Å; R25-D46 IonicContact NH1-OD1 3.95Å; R25-D46 PolarHBondContact NH1-OD1 2.8Å; R25-D46 IonicContact NH1-OD2 2.8Å; R25-D46 PolarHBondContact NH1-OD2 3.49Å; R25-D46 VanDerWaalsContact NH2-CG 3.29Å; R25-D46 IonicContact NH2-OD1 2.75Å; R25-D46 PolarHBondContact NH2-OD1 3.08Å; R25-D46 IonicContact NH2-OD2 2.76Å; R25-D46 PolarHBondContact NH2-OD2 3.31Å; E42-D46 WeakPolarHBondContact O-CB 3.47Å; E42-D46 PolarHBondContact O-N 3.11Å; R43-D46 PolarHBondContact O-N 3.15Å; D46-G50 PolarHBondContact O-N 2.96Å |
| 47 | E | 90.6 | Very high | 86.7 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 174 | -76.6 | 168 | -170.8 | 0 | 0 | 111.7 | R43 L44 G50 R51 | R43-E47 WeakPolarHBondContact CD-OE1 3.42Å; R43-E47 VanDerWaalsContact CG-OE1 3.32Å; R43-E47 WeakPolarHBondContact CG-OE1 3.5Å; R43-E47 IonicContact CZ-OE1 3.9Å; R43-E47 IonicContact CZ-OE2 3.9Å; R43-E47 IonicContact NE-OE1 3.11Å; R43-E47 IonicContact NH1-OE1 3.55Å; R43-E47 PolarHBondContact NH1-OE1 3.24Å; R43-E47 IonicContact NH1-OE2 3.48Å; R43-E47 PolarHBondContact NH1-OE2 3.03Å; R43-E47 IonicContact NH2-OE2 2.65Å; R43-E47 WeakPolarHBondContact O-CB 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.88Å; L44-E47 PolarHBondContact O-N 3.43Å; E47-G50 PolarHBondContact O-N 3.33Å; E47-R51 WeakPolarHBondContact O-CB 3.2Å; E47-R51 PolarHBondContact O-N 3.19Å |
| 48 | E | 91.1 | Very high | 86.7 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 177.3 | -173.2 | 67.7 | 173.7 | 0 | 0 | 112.2 | Y17 L21 L44 L45 G50 R51 V52 | Y17-E48 HydrophobicContact CE1-CG 4.46Å; Y17-E48 PolarHBondContact OH-OE1 2.68Å; L21-E48 HydrophobicContact CD1-CG 3.9Å; L21-E48 HydrophobicContact CD2-CG 4.14Å; L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.92Å; L45-E48 PolarHBondContact O-N 3.19Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 3.36Å; E48-R51 PolarHBondContact O-N 2.93Å; E48-R51 IonicContact OE1-CZ 3.97Å; E48-R51 IonicContact OE1-NH1 3.53Å; E48-R51 PolarHBondContact OE1-NH1 3.14Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 IonicContact OE2-CZ 2.87Å; E48-R51 IonicContact OE2-NH1 2.8Å; E48-R51 PolarHBondContact OE2-NH1 3.44Å; E48-V52 WeakPolarHBondContact O-CB 3.33Å; E48-V52 WeakPolarHBondContact O-CG2 3.45Å; E48-V52 PolarHBondContact O-N 2.93Å |
| 49 | I | 90.4 | Very high | 86.4 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 170.9 | -71.6 | 167.9 | 0 | 0 | 0 | 110.5 | L18 L21 M22 R25 L45 R53 | L18-I49 HydrophobicContact CD1-CG2 4.16Å; L21-I49 HydrophobicContact CB-CD1 4.16Å; L21-I49 HydrophobicContact CB-CG1 3.62Å; L21-I49 HydrophobicContact CD1-CG1 4.24Å; M22-I49 HydrophobicContact CG-CD1 4.27Å; R25-I49 HydrophobicContact CB-CD1 4.19Å; L45-I49 HydrophobicContact CD1-CD1 4.46Å; L45-I49 HydrophobicContact CG-CD1 3.98Å; L45-I49 VanDerWaalsContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.43Å; I49-R53 WeakPolarHBondContact O-CB 3.26Å; I49-R53 WeakPolarHBondContact O-CG 3.5Å; I49-R53 PolarHBondContact O-N 2.99Å; I49-R53 VanDerWaalsContact O-N 3.08Å |
| 50 | G | 88.8 | Confident | 85.5 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D46 E47 E48 K54 | D46-G50 PolarHBondContact O-N 2.96Å; E47-G50 PolarHBondContact O-N 3.33Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 3.36Å; G50-K54 VanDerWaalsContact O-CB 3.3Å; G50-K54 WeakPolarHBondContact O-CB 3.4Å; G50-K54 PolarHBondContact O-N 3.32Å |
| 51 | R | 88.9 | Confident | 84.2 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -54.3 | 176.9 | -159.9 | -150.3 | 81.3 | -142.5 | 2.3 | 111.6 | P11 E47 E48 R53 K54 D55 | P11-R51 PolarHBondContact O-NH2 3.11Å; E47-R51 WeakPolarHBondContact O-CB 3.2Å; E47-R51 PolarHBondContact O-N 3.19Å; E48-R51 PolarHBondContact O-N 2.93Å; E48-R51 IonicContact OE1-CZ 3.97Å; E48-R51 IonicContact OE1-NH1 3.53Å; E48-R51 PolarHBondContact OE1-NH1 3.14Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 IonicContact OE2-CZ 2.87Å; E48-R51 IonicContact OE2-NH1 2.8Å; E48-R51 PolarHBondContact OE2-NH1 3.44Å; R51-R53 VanDerWaalsContact C-N 3.3Å; R51-R53 PolarHBondContact O-N 2.97Å; R51-K54 CarbonylContact O-C 3.57Å; R51-K54 WeakPolarHBondContact O-CA 3.45Å; R51-K54 WeakPolarHBondContact O-CB 2.95Å; R51-K54 PolarHBondContact O-N 3.39Å; R51-D55 IonicContact CZ-OD2 2.64Å; R51-D55 IonicContact NE-OD2 2.71Å; R51-D55 PolarHBondContact NE-OD2 2.78Å; R51-D55 IonicContact NH2-OD2 3.23Å; R51-D55 PolarHBondContact NH2-OD2 2.86Å; R51-D55 PolarHBondContact O-N 2.84Å |
| 52 | V | 88.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.9 | -41.8 | -178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | Y17 L18 L21 E48 M56 | Y17-V52 HydrophobicContact CD1-CG2 3.84Å; Y17-V52 HydrophobicContact CE1-CG2 3.77Å; L18-V52 HydrophobicContact CB-CG1 3.91Å; L18-V52 HydrophobicContact CD1-CG1 4.23Å; L21-V52 HydrophobicContact CD1-CG2 4Å; E48-V52 WeakPolarHBondContact O-CB 3.33Å; E48-V52 WeakPolarHBondContact O-CG2 3.45Å; E48-V52 PolarHBondContact O-N 2.93Å; V52-M56 HydrophobicContact CG1-SD 4.03Å; V52-M56 VanDerWaalsContact O-CG 3.24Å; V52-M56 WeakPolarHBondContact O-CG 3.46Å; V52-M56 PolarHBondContact O-N 3.24Å; V52-M56 VanDerWaalsContact O-N 3.12Å |
| 53 | R | 86.9 | Confident | 80.8 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 11% | 0.109 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 171.6 | -78.2 | -179.2 | 175.7 | 126.5 | 8.6 | 112.1 | L18 I49 R51 D55 M56 Y57 E198 | L18-R53 HydrophobicContact CD1-CG 4.09Å; L18-R53 HydrophobicContact CD2-CG 4.2Å; I49-R53 WeakPolarHBondContact O-CB 3.26Å; I49-R53 WeakPolarHBondContact O-CG 3.5Å; I49-R53 PolarHBondContact O-N 2.99Å; I49-R53 VanDerWaalsContact O-N 3.08Å; R51-R53 VanDerWaalsContact C-N 3.3Å; R51-R53 PolarHBondContact O-N 2.97Å; R53-D55 VanDerWaalsContact C-N 3.34Å; R53-D55 PolarHBondContact O-N 2.95Å; R53-M56 PolarHBondContact O-N 3.39Å; R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.35Å; R53-Y57 PolarHBondContact O-N 3.28Å; R53-E198 IonicContact CZ-OE1 3.35Å; R53-E198 VanDerWaalsContact CZ-OE1 3.23Å; R53-E198 IonicContact CZ-OE2 2.67Å; R53-E198 VanDerWaalsContact NE-CD 3.26Å; R53-E198 IonicContact NE-OE1 3.88Å; R53-E198 PolarHBondContact NE-OE1 3.23Å; R53-E198 VanDerWaalsContact NE-OE1 3.16Å; R53-E198 IonicContact NE-OE2 2.67Å; R53-E198 PolarHBondContact NE-OE2 3.25Å; R53-E198 IonicContact NH2-OE1 3.39Å; R53-E198 PolarHBondContact NH2-OE1 2.89Å; R53-E198 IonicContact NH2-OE2 3.16Å |
| 54 | K | 85 | Confident | 78.5 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 179.9 | -179.9 | 167.7 | -172.5 | 160.2 | 0 | 112.3 | G50 R51 Y57 N58 E118 | G50-K54 VanDerWaalsContact O-CB 3.3Å; G50-K54 WeakPolarHBondContact O-CB 3.4Å; G50-K54 PolarHBondContact O-N 3.32Å; R51-K54 CarbonylContact O-C 3.57Å; R51-K54 WeakPolarHBondContact O-CA 3.45Å; R51-K54 WeakPolarHBondContact O-CB 2.95Å; R51-K54 PolarHBondContact O-N 3.39Å; K54-Y57 PolarHBondContact O-N 2.83Å; K54-N58 VanDerWaalsContact CG-ND2 3.34Å; K54-N58 WeakPolarHBondContact CG-ND2 3.11Å; K54-N58 WeakPolarHBondContact O-CB 3.38Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.06Å; K54-N58 PolarHBondContact O-ND2 2.99Å; K54-E118 VanDerWaalsContact CD-OE1 3.31Å; K54-E118 WeakPolarHBondContact CD-OE1 3.39Å; K54-E118 WeakPolarHBondContact CE-OE1 3.08Å; K54-E118 WeakPolarHBondContact CE-OE2 3.25Å; K54-E118 VanDerWaalsContact NZ-CD 3.28Å; K54-E118 IonicContact NZ-OE1 2.68Å; K54-E118 IonicContact NZ-OE2 3.61Å; K54-E118 PolarHBondContact NZ-OE2 2.87Å |
| 55 | D | 84.7 | Confident | 75.9 | Confident | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -55.9 | 176 | -58.8 | -21.7 | 0 | 0 | 0 | 109.5 | S13 R51 R53 Y57 N58 D59 | S13-D55 VanDerWaalsContact CB-CB 3.49Å; R51-D55 IonicContact CZ-OD2 2.64Å; R51-D55 IonicContact NE-OD2 2.71Å; R51-D55 PolarHBondContact NE-OD2 2.78Å; R51-D55 IonicContact NH2-OD2 3.23Å; R51-D55 PolarHBondContact NH2-OD2 2.86Å; R51-D55 PolarHBondContact O-N 2.84Å; R53-D55 VanDerWaalsContact C-N 3.34Å; R53-D55 PolarHBondContact O-N 2.95Å; D55-Y57 VanDerWaalsContact C-N 3.29Å; D55-Y57 PolarHBondContact O-N 3.28Å; D55-N58 PolarHBondContact O-N 3.04Å; D55-D59 PolarHBondContact O-N 2.88Å |
| 56 | M | 82.3 | Confident | 73.5 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -33.4 | 177.6 | -65.9 | 173.1 | 76.7 | 0 | 0 | 114.1 | S13 P15 L18 V52 R53 T60 M194 M197 | S13-M56 WeakPolarHBondContact O-CG 3.38Å; P15-M56 HydrophobicContact CB-CE 4.15Å; L18-M56 HydrophobicContact CD2-SD 3.98Å; V52-M56 HydrophobicContact CG1-SD 4.03Å; V52-M56 VanDerWaalsContact O-CG 3.24Å; V52-M56 WeakPolarHBondContact O-CG 3.46Å; V52-M56 PolarHBondContact O-N 3.24Å; V52-M56 VanDerWaalsContact O-N 3.12Å; R53-M56 PolarHBondContact O-N 3.39Å; M56-T60 WeakPolarHBondContact O-CG2 3.45Å; M56-T60 PolarHBondContact O-N 3.42Å; M56-T60 PolarHBondContact O-OG1 3.31Å; M56-M194 HydrophobicContact CB-CE 3.57Å; M56-M194 HydrophobicContact CB-SD 4.05Å; M56-M197 HydrophobicContact CE-CE 3.55Å |
| 57 | Y | 78.6 | Confident | 71.2 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 12% | 0.122 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75.7 | -36.4 | 179.7 | -155.5 | -90.5 | 0 | 0 | 0 | 111.8 | R53 K54 D55 T60 L61 T111 L191 M194 | R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.35Å; R53-Y57 PolarHBondContact O-N 3.28Å; K54-Y57 PolarHBondContact O-N 2.83Å; D55-Y57 VanDerWaalsContact C-N 3.29Å; D55-Y57 PolarHBondContact O-N 3.28Å; Y57-T60 PolarHBondContact O-N 3.32Å; Y57-T60 PolarHBondContact O-OG1 2.81Å; Y57-L61 HydrophobicContact CD1-CD1 3.8Å; Y57-L61 HydrophobicContact CD1-CG 4.35Å; Y57-L61 HydrophobicContact CE1-CD1 3.35Å; Y57-L61 HydrophobicContact CE1-CG 4.21Å; Y57-L61 PolarHBondContact O-N 2.9Å; Y57-L61 VanDerWaalsContact O-N 3.12Å; Y57-T111 HydrophobicContact CE2-CG2 3.86Å; Y57-T111 VanDerWaalsContact OH-CG2 3.3Å; Y57-T111 WeakPolarHBondContact OH-CG2 3.44Å; Y57-L191 HydrophobicContact CD2-CD1 4.17Å; Y57-L191 HydrophobicContact CE2-CD1 3.25Å; Y57-L191 WeakPolarHBondContact OH-CD1 3.49Å; Y57-M194 HydrophobicContact CD2-CE 4.23Å; Y57-M194 HydrophobicContact CD2-SD 4.03Å |
| 58 | N | 77.6 | Confident | 69 | Low | 56 Ų | 56 | 61.2 Ų | 61.2 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.3 | -41.1 | 175 | -74.8 | -45.1 | 0 | 0 | 0 | 111.7 | K54 D55 T60 L61 N62 | K54-N58 VanDerWaalsContact CG-ND2 3.34Å; K54-N58 WeakPolarHBondContact CG-ND2 3.11Å; K54-N58 WeakPolarHBondContact O-CB 3.38Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.06Å; K54-N58 PolarHBondContact O-ND2 2.99Å; D55-N58 PolarHBondContact O-N 3.04Å; N58-T60 PolarHBondContact O-N 2.93Å; N58-L61 PolarHBondContact O-N 2.91Å; N58-N62 WeakPolarHBondContact O-CB 3.36Å; N58-N62 PolarHBondContact O-N 2.9Å; N58-N62 PolarHBondContact OD1-ND2 3.06Å |
| 59 | D | 71.1 | Confident | 66.7 | Low | 93 Ų | 93 | 69.6 Ų | 69.6 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.9 | -39 | 174.6 | -70.1 | -28.7 | 0 | 0 | 0 | 111.6 | D55 | D55-D59 PolarHBondContact O-N 2.88Å |
| 60 | T | 66.1 | Low | 64.6 | Low | 53 Ų | 53 | 74.2 Ų | 74.2 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -83.8 | -21.7 | -177.3 | 48.7 | 0 | 0 | 0 | 0 | 115.3 | M56 Y57 N58 N190 | M56-T60 WeakPolarHBondContact O-CG2 3.45Å; M56-T60 PolarHBondContact O-N 3.42Å; M56-T60 PolarHBondContact O-OG1 3.31Å; Y57-T60 PolarHBondContact O-N 3.32Å; Y57-T60 PolarHBondContact O-OG1 2.81Å; N58-T60 PolarHBondContact O-N 2.93Å; T60-N190 HydrophobicContact CG2-CB 4.21Å |
| 61 | L | 59.8 | Low | 63 | Low | 68 Ų | 68 | 79.2 Ų | 79.2 | 36% | 0.356 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -100.7 | -33.8 | 176.2 | -72.4 | -172.6 | 0 | 0 | 0 | 115 | Y57 N58 | Y57-L61 HydrophobicContact CD1-CD1 3.8Å; Y57-L61 HydrophobicContact CD1-CG 4.35Å; Y57-L61 HydrophobicContact CE1-CD1 3.35Å; Y57-L61 HydrophobicContact CE1-CG 4.21Å; Y57-L61 PolarHBondContact O-N 2.9Å; Y57-L61 VanDerWaalsContact O-N 3.12Å; N58-L61 PolarHBondContact O-N 2.91Å |
| 62 | N | 55.2 | Low | 61.5 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -111.4 | 8.9 | -168.8 | -61.3 | -46.4 | 0 | 0 | 0 | 113.9 | N58 G64 M65 | N58-N62 WeakPolarHBondContact O-CB 3.36Å; N58-N62 PolarHBondContact O-N 2.9Å; N58-N62 PolarHBondContact OD1-ND2 3.06Å; N62-G64 PolarHBondContact O-N 2.68Å; N62-G64 VanDerWaalsContact O-N 3.11Å; N62-M65 PolarHBondContact O-N 2.75Å |
| 63 | G | 48 | Very low | 60.7 | Low | 68 Ų | 68 | 92 Ų | 92 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 29 | 170 | 0 | 0 | 0 | 0 | 0 | 114.8 | M65 | G63-M65 PolarHBondContact O-N 2.66Å; G63-M65 VanDerWaalsContact O-N 3.1Å |
| 64 | G | 42.4 | Very low | 60.4 | Low | 52 Ų | 52 | 93.6 Ų | 93.6 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | -0.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N62 | N62-G64 PolarHBondContact O-N 2.68Å; N62-G64 VanDerWaalsContact O-N 3.11Å |
| 65 | M | 37.6 | Very low | 60.3 | Low | 163 Ų | 163 | 93 Ų | 93 | 80% | 0.803 | 51% | 0.506 | S | S | * | . | trans | -103.5 | -4.4 | -166.6 | -156.1 | 147.6 | 70.6 | 0 | 0 | 115.6 | N62 G63 | N62-M65 PolarHBondContact O-N 2.75Å; G63-M65 PolarHBondContact O-N 2.66Å; G63-M65 VanDerWaalsContact O-N 3.1Å | ||
| 66 | F | 41 | Very low | 60.3 | Low | 132 Ų | 132 | 98.6 Ų | 98.6 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | trans | -115.7 | 76.8 | 173.6 | -97.5 | -97.6 | 0 | 0 | 0 | 113 | G68 D70 | F66-G68 PolarHBondContact O-N 3.46Å; F66-G68 VanDerWaalsContact O-N 3.08Å; F66-D70 WeakPolarHBondContact CD1-OD2 3.27Å; F66-D70 WeakPolarHBondContact CE1-OD2 3.31Å | ||
| 67 | N | 39.7 | Very low | 60.5 | Low | 141 Ų | 141 | 101 Ų | 101 | 75% | 0.754 | 55% | 0.553 | S | S | * | * | trans | -64.7 | 102.7 | 167.1 | -88.9 | -38.1 | 0 | 0 | 0 | 111.2 | R69 | N67-R69 PolarHBondContact O-N 2.89Š| ||
| 68 | G | 45 | Very low | 60.8 | Low | 72 Ų | 72 | 104.7 Ų | 104.7 | 74% | 0.742 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 65.3 | -12.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | F66 | F66-G68 PolarHBondContact O-N 3.46Å; F66-G68 VanDerWaalsContact O-N 3.08Å |
| 69 | R | 43 | Very low | 61.3 | Low | 214 Ų | 214 | 104.4 Ų | 104.4 | 81% | 0.808 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -17.8 | -169.2 | -72.5 | -177.2 | -68.3 | 174.5 | 2.1 | 115.6 | N67 M71 | N67-R69 PolarHBondContact O-N 2.89Å; R69-M71 VanDerWaalsContact C-N 3.3Å; R69-M71 PolarHBondContact O-N 3.18Å |
| 70 | D | 47.3 | Very low | 62.2 | Low | 99 Ų | 99 | 105.3 Ų | 105.3 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | 28.2 | -178.1 | -61.8 | 18.3 | 0 | 0 | 0 | 111.8 | F66 E72 R172 | F66-D70 WeakPolarHBondContact CD1-OD2 3.27Å; F66-D70 WeakPolarHBondContact CE1-OD2 3.31Å; D70-E72 PolarHBondContact O-N 3.12Å; D70-R172 PolarHBondContact O-NH1 3.36Å |
| 71 | M | 53.4 | Low | 63.4 | Low | 139 Ų | 139 | 107.5 Ų | 107.5 | 69% | 0.685 | 61% | 0.609 | S | S | * | * | trans | -72.7 | 77.7 | 148.2 | -179.1 | 167.6 | -82.5 | 0 | 0 | 107.2 | R69 E73 | R69-M71 VanDerWaalsContact C-N 3.3Å; R69-M71 PolarHBondContact O-N 3.18Å; M71-E73 PolarHBondContact O-N 2.9Å | ||
| 72 | E | 59.2 | Low | 64.9 | Low | 133 Ų | 133 | 105.7 Ų | 105.7 | 62% | 0.621 | 60% | 0.604 | S | S | * | * | trans | -48.8 | 110.1 | 168.7 | -77.9 | -175.9 | 124.3 | 0 | 0 | 108.7 | D70 L74 | D70-E72 PolarHBondContact O-N 3.12Å; E72-L74 PolarHBondContact O-N 3.24Å; E72-L74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | E | 71.1 | Confident | 66.7 | Low | 184 Ų | 184 | 108.7 Ų | 108.7 | 86% | 0.86 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 116.3 | -175.8 | -170.5 | 163.2 | -150 | 0 | 0 | 108.3 | M71 | M71-E73 PolarHBondContact O-N 2.9Š|
| 74 | L | 79.7 | Confident | 68.9 | Low | 64 Ų | 64 | 107 Ų | 107 | 34% | 0.335 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 123.8 | -173.1 | -73.8 | 167.5 | 0 | 0 | 0 | 109.1 | E72 I168 K169 | E72-L74 PolarHBondContact O-N 3.24Å; E72-L74 VanDerWaalsContact O-N 3.14Å; L74-I168 HydrophobicContact CD2-CG2 4.23Å; L74-K169 HydrophobicContact CD1-CG 4.4Å; L74-K169 HydrophobicContact CD2-CG 3.86Å |
| 75 | P | 83.2 | Confident | 71.4 | Confident | 56 Ų | 56 | 111.2 Ų | 111.2 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -60 | 163.4 | -176.9 | 25.6 | -35.2 | 0 | 0 | 0 | 111.2 | R165 I168 | P75-R165 HydrophobicContact CG-CG 4.22Å; P75-R165 WeakPolarHBondContact O-CD 3.44Å; P75-R165 WeakPolarHBondContact O-CG 3.27Å; P75-R165 PolarHBondContact O-NE 3.3Å; P75-I168 HydrophobicContact CG-CD1 3.63Å |
| 76 | E | 84.1 | Confident | 74.1 | Confident | 164 Ų | 164 | 106.4 Ų | 106.4 | 77% | 0.766 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 151.7 | -179.4 | -65.3 | -168.1 | 158.5 | 0 | 0 | 112.9 | I78 | E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.33Å |
| 77 | A | 86.4 | Confident | 76.7 | Confident | 67 Ų | 67 | 104 Ų | 104 | 55% | 0.554 | 56% | 0.561 | S | S | * | * | trans | -75.8 | 76.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T162 | A77-T162 HydrophobicContact CB-CG2 3.78Š| ||
| 78 | I | 85.7 | Confident | 79.3 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | trans | -88.6 | 119.5 | -179.3 | -59.2 | 170.3 | 0 | 0 | 0 | 110.6 | E76 | E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.33Å | ||
| 79 | G | 87.4 | Confident | 81.7 | Confident | 51 Ų | 51 | 101.2 Ų | 101.2 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | S | Bend | trans | 97.2 | -175.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T162 | G79-T162 WeakPolarHBondContact O-CG2 3.5Š|
| 80 | P | 90.3 | Very high | 84.1 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 72% | 0.721 | 49% | 0.485 | S | S | * | . | trans | -69.4 | 153.8 | 178.1 | 30.1 | -35.3 | 0 | 0 | 0 | 111.8 | ||||
| 81 | V | 91.4 | Very high | 86.2 | Confident | 100 Ų | 100 | 88.3 Ų | 88.3 | 61% | 0.606 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 132.7 | 168.1 | -178.5 | 0 | 0 | 0 | 0 | 109 | E160 | V81-E160 HydrophobicContact CG1-CG 3.83Å |
| 82 | A | 91 | Very high | 88 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110 | D161 | A82-D161 PolarHBondContact N-O 3.17Å; A82-D161 PolarHBondContact O-N 2.94Å |
| 83 | Q | 94.1 | Very high | 89.4 | Confident | 134 Ų | 134 | 85.6 Ų | 85.6 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.8 | 170.6 | -169 | 168.6 | 72.6 | 0 | 0 | 109.5 | V159 | Q83-V159 CarbonylContact C-O 3.58Å; Q83-V159 VanDerWaalsContact CA-O 3.29Å; Q83-V159 WeakPolarHBondContact CA-O 3.47Å |
| 84 | L | 93.2 | Very high | 90.3 | Very high | 33 Ų | 33 | 83.4 Ų | 83.4 | 17% | 0.173 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 150.4 | 170.7 | -60.5 | -174.9 | 0 | 0 | 0 | 109.8 | T158 V159 A166 K167 L170 | L84-T158 CarbonylContact O-C 3.56Å; L84-T158 WeakPolarHBondContact O-CA 3.44Å; L84-V159 PolarHBondContact N-O 3.25Å; L84-V159 PolarHBondContact O-N 3.24Å; L84-A166 HydrophobicContact CD1-CB 3.64Å; L84-A166 HydrophobicContact CG-CB 4.03Å; L84-K167 HydrophobicContact CD1-CG 4.16Å; L84-L170 HydrophobicContact CB-CD2 3.87Å; L84-L170 HydrophobicContact CD1-CD2 4.27Å |
| 85 | Q | 95 | Very high | 90.8 | Very high | 140 Ų | 140 | 85.6 Ų | 85.6 | 65% | 0.654 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 141.5 | 176.3 | 61.2 | 179.1 | -0.7 | 0 | 0 | 111.2 | L156 I157 T158 | Q85-L156 HydrophobicContact CB-CD1 4.29Å; Q85-I157 CarbonylContact C-O 3.55Å; Q85-I157 VanDerWaalsContact CA-O 3.25Å; Q85-I157 WeakPolarHBondContact CA-O 3.36Å; Q85-T158 HydrophobicContact CB-CG2 3.86Å |
| 86 | E | 95.1 | Very high | 91 | Very high | 61 Ų | 61 | 87.4 Ų | 87.4 | 29% | 0.285 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 144.7 | 171.2 | -166.8 | 165 | 127.9 | 0 | 0 | 110.5 | L88 I157 L170 I174 | E86-L88 HydrophobicContact CG-CD2 4.49Å; E86-I157 PolarHBondContact N-O 3.37Å; E86-I157 PolarHBondContact O-N 3.46Å; E86-L170 HydrophobicContact CB-CD1 3.96Å; E86-L170 HydrophobicContact CB-CD2 4.46Å; E86-I174 HydrophobicContact CB-CD1 4.16Å; E86-I174 HydrophobicContact CG-CD1 4.18Å; E86-I174 WeakPolarHBondContact OE1-CD1 3.37Å; E86-I174 WeakPolarHBondContact OE2-CD1 3.45Å |
| 87 | K | 95.3 | Very high | 91.2 | Very high | 83 Ų | 83 | 87.4 Ų | 87.4 | 36% | 0.361 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.8 | 176.1 | -71.4 | -176.2 | 174.4 | -175.5 | 0 | 109.4 | E151 L156 | K87-E151 IonicContact NZ-OE1 2.99Å; K87-E151 PolarHBondContact NZ-OE1 2.91Å; K87-E151 IonicContact NZ-OE2 3.67Å; K87-E151 PolarHBondContact NZ-OE2 3.17Å; K87-L156 HydrophobicContact CG-CD1 3.84Å |
| 88 | L | 95 | Very high | 91.4 | Very high | 18 Ų | 18 | 86 Ų | 86 | 9% | 0.094 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 112.1 | 173.8 | -61.6 | 178.4 | 0 | 0 | 0 | 109.7 | E86 H154 V155 I157 I174 V177 L181 | E86-L88 HydrophobicContact CG-CD2 4.49Å; L88-H154 CarbonylContact O-C 3.5Å; L88-H154 WeakPolarHBondContact O-CA 3.29Å; L88-H154 WeakPolarHBondContact O-CB 3.37Å; L88-V155 PolarHBondContact N-O 3.36Å; L88-V155 PolarHBondContact O-N 3.05Å; L88-I157 HydrophobicContact CD1-CD1 3.81Å; L88-I174 HydrophobicContact CD1-CB 4.33Å; L88-I174 HydrophobicContact CD1-CG1 4.22Å; L88-I174 HydrophobicContact CD1-CG2 4.14Å; L88-I174 HydrophobicContact CD2-CG2 4.22Å; L88-V177 HydrophobicContact CD1-CB 3.93Å; L88-V177 HydrophobicContact CD1-CG1 3.71Å; L88-L181 HydrophobicContact CB-CD1 4.31Å |
| 89 | Y | 94.6 | Very high | 91.6 | Very high | 135 Ų | 135 | 86.2 Ų | 86.2 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 143.8 | 176.9 | -67.3 | -77.2 | 0 | 0 | 0 | 111.6 | D152 H154 | Y89-D152 HydrophobicContact CD1-CB 4.23Å; Y89-D152 HydrophobicContact CE1-CB 4.43Å; Y89-H154 HydrophobicContact CD1-CB 3.83Å; Y89-H154 HydrophobicContact CE1-CB 4.12Å; Y89-H154 HydrophobicContact CG-CB 4.42Å |
| 90 | V | 93.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 83.9 Ų | 83.9 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | trans | -93.5 | 132.4 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | V92 F100 L153 L181 | V90-V92 HydrophobicContact CB-CG1 4.26Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V90-V92 PolarHBondContact O-N 2.94Å; V90-F100 HydrophobicContact CG1-CB 3.52Å; V90-F100 HydrophobicContact CG1-CD1 4.16Å; V90-F100 HydrophobicContact CG1-CD2 3.37Å; V90-F100 HydrophobicContact CG1-CE2 4.11Å; V90-F100 HydrophobicContact CG1-CG 3.4Å; V90-F100 VanDerWaalsContact CG1-CG 3.4Å; V90-L153 HydrophobicContact CB-CB 4.31Å; V90-L153 HydrophobicContact CB-CD2 3.86Å; V90-L153 HydrophobicContact CB-CG 4.09Å; V90-L153 HydrophobicContact CG1-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CB 4.44Å; V90-L153 HydrophobicContact CG2-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CG 3.87Å; V90-L153 PolarHBondContact N-O 3.49Å; V90-L181 HydrophobicContact CB-CD2 4.17Å; V90-L181 HydrophobicContact CG1-CD2 3.88Å; V90-L181 HydrophobicContact CG2-CD2 3.87Å | ||
| 91 | P | 92.1 | Very high | 92 | Very high | 29 Ų | 29 | 79.9 Ų | 79.9 | 19% | 0.188 | 40% | 0.399 | C | S | . | . | trans | -77 | 45.6 | -175.3 | 32.4 | -36.2 | 0 | 0 | 0 | 114.1 | K93 E94 Y95 F100 | P91-K93 PolarHBondContact O-N 2.92Å; P91-E94 HydrophobicContact CB-CB 4.48Å; P91-E94 PolarHBondContact O-N 3.36Å; P91-Y95 HydrophobicContact CB-CD2 4.46Å; P91-Y95 HydrophobicContact CG-CD2 4.49Å; P91-Y95 PolarHBondContact O-N 3Å; P91-F100 HydrophobicContact CG-CE1 4.24Å; P91-F100 HydrophobicContact CG-CE2 4.38Å; P91-F100 HydrophobicContact CG-CZ 3.86Å | ||
| 92 | V | 90.3 | Very high | 92 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 32% | 0.315 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -10 | 176.8 | -62.2 | 0 | 0 | 0 | 0 | 114.3 | V90 P96 F100 L153 | V90-V92 HydrophobicContact CB-CG1 4.26Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V90-V92 PolarHBondContact O-N 2.94Å; V92-P96 WeakPolarHBondContact O-CA 3.21Å; V92-F100 HydrophobicContact CG1-CD2 4.11Å; V92-F100 HydrophobicContact CG1-CE2 4.48Å; V92-L153 HydrophobicContact CG1-CD2 3.65Å |
| 93 | K | 89.1 | Confident | 92.1 | Very high | 163 Ų | 163 | 76.3 Ų | 76.3 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -25.9 | 174 | -67.1 | 171.3 | -176.7 | 165 | 0 | 112.3 | P91 D152 | P91-K93 PolarHBondContact O-N 2.92Å; K93-D152 WeakPolarHBondContact CE-OD2 3.48Å; K93-D152 IonicContact NZ-OD2 2.65Å; K93-D152 PolarHBondContact NZ-OD2 2.94Å |
| 94 | E | 90.4 | Very high | 92 | Very high | 138 Ų | 138 | 70.1 Ų | 70.1 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -40 | 177.6 | -67 | 158.9 | -139.5 | 0 | 0 | 110.7 | P91 P96 | P91-E94 HydrophobicContact CB-CB 4.48Å; P91-E94 PolarHBondContact O-N 3.36Å; E94-P96 WeakPolarHBondContact O-CD 3.34Å |
| 95 | Y | 89.1 | Confident | 92 | Very high | 110 Ų | 110 | 71.7 Ų | 71.7 | 43% | 0.431 | 36% | 0.358 | S | S | . | . | trans | -125.4 | 71.7 | -176 | -54.2 | -81.7 | 0 | 0 | 0 | 111.1 | P91 D97 F98 F100 P183 | P91-Y95 HydrophobicContact CB-CD2 4.46Å; P91-Y95 HydrophobicContact CG-CD2 4.49Å; P91-Y95 PolarHBondContact O-N 3Å; Y95-D97 VanDerWaalsContact C-N 3.33Å; Y95-D97 PolarHBondContact O-N 2.82Å; Y95-F98 PolarHBondContact O-N 2.95Å; Y95-F100 HydrophobicContact CD2-CZ 4.31Å; Y95-F100 HydrophobicContact CG-CZ 4.45Å; Y95-P183 HydrophobicContact CD1-CG 3.67Å; Y95-P183 HydrophobicContact CD2-CG 3.82Å; Y95-P183 HydrophobicContact CE1-CG 3.75Å; Y95-P183 HydrophobicContact CE2-CG 3.91Å; Y95-P183 HydrophobicContact CG-CG 3.71Å | ||
| 96 | P | 88.7 | Confident | 91.9 | Very high | 95 Ų | 95 | 65.8 Ų | 65.8 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.6 | -173.1 | 26.8 | -35.5 | 0 | 0 | 0 | 113.7 | V92 E94 F98 | V92-P96 WeakPolarHBondContact O-CA 3.21Å; E94-P96 WeakPolarHBondContact O-CD 3.34Å; P96-F98 VanDerWaalsContact C-N 3.33Å |
| 97 | D | 88.2 | Confident | 91.7 | Very high | 163 Ų | 163 | 63.1 Ų | 63.1 | 87% | 0.872 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -9.5 | -178.9 | -56.9 | -59.1 | 0 | 0 | 0 | 113.3 | Y95 | Y95-D97 VanDerWaalsContact C-N 3.33Å; Y95-D97 PolarHBondContact O-N 2.82Å |
| 98 | F | 89.7 | Confident | 91.5 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 17% | 0.171 | 34% | 0.34 | C | S | . | . | trans | -90.4 | 119.9 | -175.3 | -167.2 | -89.3 | 0 | 0 | 0 | 112.4 | Y95 P96 F100 P183 | Y95-F98 PolarHBondContact O-N 2.95Å; P96-F98 VanDerWaalsContact C-N 3.33Å; F98-F100 HydrophobicContact CB-CE2 4.02Å; F98-F100 HydrophobicContact CB-CZ 4.16Å; F98-F100 AromaticContact CD1-CD1 3.5Å; F98-F100 HydrophobicContact CD1-CD1 3.5Å; F98-F100 AromaticContact CD1-CD2 3.93Å; F98-F100 HydrophobicContact CD1-CD2 3.93Å; F98-F100 AromaticContact CD1-CE1 3.4Å; F98-F100 HydrophobicContact CD1-CE1 3.4Å; F98-F100 AromaticContact CD1-CE2 3.86Å; F98-F100 HydrophobicContact CD1-CE2 3.86Å; F98-F100 AromaticContact CD1-CG 3.77Å; F98-F100 HydrophobicContact CD1-CG 3.77Å; F98-F100 AromaticContact CD1-CZ 3.6Å; F98-F100 HydrophobicContact CD1-CZ 3.6Å; F98-F100 AromaticContact CE1-CD1 3.68Å; F98-F100 HydrophobicContact CE1-CD1 3.68Å; F98-F100 AromaticContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CG 4.26Å; F98-F100 HydrophobicContact CE1-CZ 4.37Å; F98-F100 HydrophobicContact CG-CE1 4.36Å; F98-F100 HydrophobicContact CG-CE2 4.4Å; F98-F100 HydrophobicContact CG-CZ 4.2Å; F98-F100 WeakPolarHBondContact O-CD2 3.44Å; F98-F100 PolarHBondContact O-N 3.35Å; F98-P183 HydrophobicContact CD1-CB 4.07Å; F98-P183 HydrophobicContact CD2-CB 3.59Å; F98-P183 HydrophobicContact CE1-CB 4.08Å; F98-P183 HydrophobicContact CE2-CB 3.61Å; F98-P183 HydrophobicContact CG-CB 3.82Å; F98-P183 HydrophobicContact CZ-CB 3.86Å | ||
| 99 | N | 90.7 | Very high | 91.3 | Very high | 113 Ų | 113 | 68.7 Ų | 68.7 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | trans | -82.3 | 74.4 | -177.5 | -172.3 | 0.4 | 0 | 0 | 0 | 113 | V101 G102 R103 | N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.79Å; N99-G102 PolarHBondContact O-N 3.36Å; N99-G102 PolarHBondContact OD1-N 3.09Å; N99-R103 PolarHBondContact O-N 2.97Å | ||
| 100 | F | 92.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.5 | -42.1 | 174.4 | -62.7 | -77.4 | 0 | 0 | 0 | 113.1 | V90 P91 V92 Y95 F98 G102 R103 I104 L181 | V90-F100 HydrophobicContact CG1-CB 3.52Å; V90-F100 HydrophobicContact CG1-CD1 4.16Å; V90-F100 HydrophobicContact CG1-CD2 3.37Å; V90-F100 HydrophobicContact CG1-CE2 4.11Å; V90-F100 HydrophobicContact CG1-CG 3.4Å; V90-F100 VanDerWaalsContact CG1-CG 3.4Å; P91-F100 HydrophobicContact CG-CE1 4.24Å; P91-F100 HydrophobicContact CG-CE2 4.38Å; P91-F100 HydrophobicContact CG-CZ 3.86Å; V92-F100 HydrophobicContact CG1-CD2 4.11Å; V92-F100 HydrophobicContact CG1-CE2 4.48Å; Y95-F100 HydrophobicContact CD2-CZ 4.31Å; Y95-F100 HydrophobicContact CG-CZ 4.45Å; F98-F100 HydrophobicContact CB-CE2 4.02Å; F98-F100 HydrophobicContact CB-CZ 4.16Å; F98-F100 AromaticContact CD1-CD1 3.5Å; F98-F100 HydrophobicContact CD1-CD1 3.5Å; F98-F100 AromaticContact CD1-CD2 3.93Å; F98-F100 HydrophobicContact CD1-CD2 3.93Å; F98-F100 AromaticContact CD1-CE1 3.4Å; F98-F100 HydrophobicContact CD1-CE1 3.4Å; F98-F100 AromaticContact CD1-CE2 3.86Å; F98-F100 HydrophobicContact CD1-CE2 3.86Å; F98-F100 AromaticContact CD1-CG 3.77Å; F98-F100 HydrophobicContact CD1-CG 3.77Å; F98-F100 AromaticContact CD1-CZ 3.6Å; F98-F100 HydrophobicContact CD1-CZ 3.6Å; F98-F100 AromaticContact CE1-CD1 3.68Å; F98-F100 HydrophobicContact CE1-CD1 3.68Å; F98-F100 AromaticContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CG 4.26Å; F98-F100 HydrophobicContact CE1-CZ 4.37Å; F98-F100 HydrophobicContact CG-CE1 4.36Å; F98-F100 HydrophobicContact CG-CE2 4.4Å; F98-F100 HydrophobicContact CG-CZ 4.2Å; F98-F100 WeakPolarHBondContact O-CD2 3.44Å; F98-F100 PolarHBondContact O-N 3.35Å; F100-G102 PolarHBondContact O-N 2.88Å; F100-R103 PolarHBondContact O-N 3.07Å; F100-I104 HydrophobicContact CB-CD1 4.43Å; F100-I104 WeakPolarHBondContact O-CD1 3.44Å; F100-I104 VanDerWaalsContact O-CG1 3.29Å; F100-I104 WeakPolarHBondContact O-CG1 3.28Å; F100-I104 PolarHBondContact O-N 2.9Å; F100-L181 HydrophobicContact CD1-CD2 4.3Å; F100-L181 WeakPolarHBondContact CE1-O 3.46Å |
| 101 | V | 93.1 | Very high | 91 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | -177.6 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | N99 L105 V125 L153 | N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.79Å; V101-L105 HydrophobicContact CG1-CD1 3.83Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CB 3.49Å; V101-L105 WeakPolarHBondContact O-CG 3.45Å; V101-L105 PolarHBondContact O-N 3.13Å; V101-L105 VanDerWaalsContact O-N 3.07Å; V101-V125 HydrophobicContact CG1-CG1 4.18Å; V101-V125 HydrophobicContact CG2-CG1 4.12Å; V101-L153 HydrophobicContact CG2-CD1 4.14Å; V101-L153 HydrophobicContact CG2-CD2 3.83Å |
| 102 | G | 92.9 | Very high | 91 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N99 F100 G106 | N99-G102 PolarHBondContact O-N 3.36Å; N99-G102 PolarHBondContact OD1-N 3.09Å; F100-G102 PolarHBondContact O-N 2.88Å; G102-G106 WeakPolarHBondContact O-CA 3.2Å; G102-G106 PolarHBondContact O-N 3.24Å |
| 103 | R | 91.8 | Very high | 91.1 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 179.3 | -164.6 | -179.8 | -167 | -137.2 | 4.3 | 113 | N99 F100 L180 V182 D189 L191 Q195 | N99-R103 PolarHBondContact O-N 2.97Å; F100-R103 PolarHBondContact O-N 3.07Å; R103-L180 PolarHBondContact NH1-O 2.67Å; R103-V182 PolarHBondContact NH1-O 2.85Å; R103-D189 IonicContact CZ-OD1 3.36Å; R103-D189 IonicContact CZ-OD2 2.59Å; R103-D189 IonicContact NE-OD1 3.8Å; R103-D189 IonicContact NE-OD2 3.48Å; R103-D189 PolarHBondContact NE-OD2 3.31Å; R103-D189 IonicContact NH2-OD1 3.15Å; R103-D189 PolarHBondContact NH2-OD1 3.44Å; R103-D189 IonicContact NH2-OD2 3.64Å; R103-D189 PolarHBondContact NH2-OD2 2.86Å; R103-D189 VanDerWaalsContact NH2-OD2 3.15Å; R103-L191 HydrophobicContact CG-CD2 4.02Å; R103-Q195 PolarHBondContact O-NE2 2.65Å |
| 104 | I | 92.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.2 | -43.8 | 179.3 | -66.5 | 160.1 | 0 | 0 | 0 | 111.3 | F100 A112 V155 L180 L181 | F100-I104 HydrophobicContact CB-CD1 4.43Å; F100-I104 WeakPolarHBondContact O-CD1 3.44Å; F100-I104 VanDerWaalsContact O-CG1 3.29Å; F100-I104 WeakPolarHBondContact O-CG1 3.28Å; F100-I104 PolarHBondContact O-N 2.9Å; I104-A112 PolarHBondContact O-N 2.65Å; I104-V155 HydrophobicContact CD1-CG2 3.94Å; I104-L180 HydrophobicContact CG1-CB 3.96Å; I104-L180 HydrophobicContact CG1-CD1 4.13Å; I104-L181 HydrophobicContact CD1-CD2 4.01Å |
| 105 | L | 93.1 | Very high | 91.1 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.6 | -42.6 | 179.3 | -66.4 | 175.3 | 0 | 0 | 0 | 112.2 | V101 G109 L110 T111 A112 V125 | V101-L105 HydrophobicContact CG1-CD1 3.83Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CB 3.49Å; V101-L105 WeakPolarHBondContact O-CG 3.45Å; V101-L105 PolarHBondContact O-N 3.13Å; V101-L105 VanDerWaalsContact O-N 3.07Å; L105-G109 CarbonylContact O-C 3.6Å; L105-G109 WeakPolarHBondContact O-CA 3.43Å; L105-L110 PolarHBondContact O-N 2.89Å; L105-T111 PolarHBondContact O-N 3.46Å; L105-T111 VanDerWaalsContact O-N 3.16Å; L105-A112 HydrophobicContact CD2-CB 4.03Å; L105-A112 PolarHBondContact O-N 2.9Å; L105-V125 HydrophobicContact CD2-CG2 4.2Å; L105-V125 HydrophobicContact CG-CG2 4.39Å |
| 106 | G | 92.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | trans | 66.6 | -168.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G102 R108 G109 | G102-G106 WeakPolarHBondContact O-CA 3.2Å; G102-G106 PolarHBondContact O-N 3.24Å; G106-R108 PolarHBondContact O-N 3.35Å; G106-G109 PolarHBondContact O-N 3.47Å | ||
| 107 | P | 92.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -58.8 | 122.1 | -178.7 | 24.6 | -34.4 | 0 | 0 | 0 | 110.8 | G109 L110 E198 L199 L202 | P107-G109 PolarHBondContact O-N 3.41Å; P107-L110 WeakPolarHBondContact O-CB 3.3Å; P107-L110 WeakPolarHBondContact O-CD1 3.38Å; P107-L110 WeakPolarHBondContact O-CG 3.31Å; P107-L110 PolarHBondContact O-N 2.81Å; P107-E198 HydrophobicContact CG-CB 4.15Å; P107-E198 HydrophobicContact CG-CG 4.3Å; P107-L199 HydrophobicContact CB-CB 4.3Å; P107-L199 HydrophobicContact CB-CD1 4.45Å; P107-L202 HydrophobicContact CB-CD1 3.77Å |
| 108 | R | 89.9 | Confident | 91.2 | Very high | 193 Ų | 193 | 47.9 Ų | 47.9 | 73% | 0.728 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | 51.8 | 21.2 | -178.5 | -63.6 | -177.3 | 175.2 | -163.5 | -1.1 | 115.4 | G106 L110 L202 | G106-R108 PolarHBondContact O-N 3.35Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 HydrophobicContact CB-CD1 4.37Å; R108-L110 HydrophobicContact CB-CG 4.35Å; R108-L202 HydrophobicContact CG-CD1 4.1Å |
| 109 | G | 91.4 | Very high | 91.2 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | 79.9 | 9.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L105 G106 P107 A112 K113 | L105-G109 CarbonylContact O-C 3.6Å; L105-G109 WeakPolarHBondContact O-CA 3.43Å; G106-G109 PolarHBondContact O-N 3.47Å; P107-G109 PolarHBondContact O-N 3.41Å; G109-A112 PolarHBondContact O-N 3.1Å; G109-K113 PolarHBondContact O-N 3.43Å |
| 110 | L | 89.7 | Confident | 91.2 | Very high | 44 Ų | 44 | 42.9 Ų | 42.9 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70 | -33.2 | -173.3 | -67.1 | 166.3 | 0 | 0 | 0 | 113.2 | L105 P107 R108 K113 Q114 E198 L202 | L105-L110 PolarHBondContact O-N 2.89Å; P107-L110 WeakPolarHBondContact O-CB 3.3Å; P107-L110 WeakPolarHBondContact O-CD1 3.38Å; P107-L110 WeakPolarHBondContact O-CG 3.31Å; P107-L110 PolarHBondContact O-N 2.81Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 HydrophobicContact CB-CD1 4.37Å; R108-L110 HydrophobicContact CB-CG 4.35Å; L110-K113 PolarHBondContact O-N 2.85Å; L110-Q114 WeakPolarHBondContact O-CB 3.38Å; L110-Q114 PolarHBondContact O-N 2.82Å; L110-E198 VanDerWaalsContact CD1-OE1 3.3Å; L110-E198 WeakPolarHBondContact CD1-OE1 3.42Å; L110-L202 HydrophobicContact CD1-CD1 4.47Å |
| 111 | T | 90.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | Y57 L105 Q114 L115 Q195 | Y57-T111 HydrophobicContact CE2-CG2 3.86Å; Y57-T111 VanDerWaalsContact OH-CG2 3.3Å; Y57-T111 WeakPolarHBondContact OH-CG2 3.44Å; L105-T111 PolarHBondContact O-N 3.46Å; L105-T111 VanDerWaalsContact O-N 3.16Å; T111-Q114 PolarHBondContact O-N 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 PolarHBondContact O-N 2.84Å; T111-Q195 PolarHBondContact OG1-NE2 2.78Å |
| 112 | A | 92.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I104 L105 G109 Q114 L115 E116 | I104-A112 PolarHBondContact O-N 2.65Å; L105-A112 HydrophobicContact CD2-CB 4.03Å; L105-A112 PolarHBondContact O-N 2.9Å; G109-A112 PolarHBondContact O-N 3.1Å; A112-Q114 VanDerWaalsContact C-N 3.31Å; A112-Q114 PolarHBondContact O-N 3.18Å; A112-L115 PolarHBondContact O-N 3.39Å; A112-L115 VanDerWaalsContact O-N 3.13Å; A112-E116 WeakPolarHBondContact O-CG 3.32Å; A112-E116 PolarHBondContact O-N 2.92Å |
| 113 | K | 91.9 | Very high | 91.5 | Very high | 139 Ų | 139 | 46.2 Ų | 46.2 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.3 | -37.5 | 177.9 | -174 | -177.9 | 176.2 | -172.1 | 0 | 112.9 | G109 L110 A117 | G109-K113 PolarHBondContact O-N 3.43Å; L110-K113 PolarHBondContact O-N 2.85Å; K113-A117 WeakPolarHBondContact O-CB 3.45Å; K113-A117 PolarHBondContact O-N 2.93Å |
| 114 | Q | 88.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | 174.6 | -178.1 | 174.5 | -14.6 | 0 | 0 | 111 | L110 T111 A112 E116 A117 E118 | L110-Q114 WeakPolarHBondContact O-CB 3.38Å; L110-Q114 PolarHBondContact O-N 2.82Å; T111-Q114 PolarHBondContact O-N 3.28Å; A112-Q114 VanDerWaalsContact C-N 3.31Å; A112-Q114 PolarHBondContact O-N 3.18Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; Q114-E116 PolarHBondContact O-N 2.87Å; Q114-A117 PolarHBondContact O-N 2.7Å; Q114-A117 VanDerWaalsContact O-N 3.15Å; Q114-E118 HydrophobicContact CG-CG 4.31Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.42Å; Q114-E118 PolarHBondContact NE2-OE1 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.38Å; Q114-E118 PolarHBondContact O-N 2.86Å |
| 115 | L | 90.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.12 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -37.3 | 177.6 | -174.1 | 59.9 | 0 | 0 | 0 | 112.2 | T111 A112 T119 I123 E176 V177 L180 | T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 PolarHBondContact O-N 2.84Å; A112-L115 PolarHBondContact O-N 3.39Å; A112-L115 VanDerWaalsContact O-N 3.13Å; L115-T119 HydrophobicContact CD1-CG2 3.83Å; L115-T119 HydrophobicContact CG-CG2 4.45Å; L115-T119 WeakPolarHBondContact O-CB 3.36Å; L115-T119 VanDerWaalsContact O-CG2 3.32Å; L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 VanDerWaalsContact O-N 3.09Å; L115-T119 PolarHBondContact O-OG1 3.06Å; L115-I123 HydrophobicContact CB-CD1 4.07Å; L115-I123 HydrophobicContact CD2-CD1 3.66Å; L115-I123 HydrophobicContact CG-CD1 3.54Å; L115-E176 HydrophobicContact CD1-CB 3.61Å; L115-E176 HydrophobicContact CD1-CG 3.92Å; L115-E176 HydrophobicContact CD2-CB 4.34Å; L115-V177 HydrophobicContact CD2-CG2 3.93Å; L115-L180 HydrophobicContact CD2-CD1 4.17Å |
| 116 | E | 92.9 | Very high | 91.7 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 169.8 | -71 | -174 | 132.2 | 0 | 0 | 111.5 | A112 Q114 E118 G120 C121 K122 I123 | A112-E116 WeakPolarHBondContact O-CG 3.32Å; A112-E116 PolarHBondContact O-N 2.92Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; Q114-E116 PolarHBondContact O-N 2.87Å; E116-E118 PolarHBondContact O-N 2.89Å; E116-G120 WeakPolarHBondContact O-CA 3.21Å; E116-G120 PolarHBondContact O-N 3.25Å; E116-C121 WeakPolarHBondContact CA-O 3.43Å; E116-C121 WeakPolarHBondContact CB-O 3.12Å; E116-C121 WeakPolarHBondContact CG-O 3.35Å; E116-C121 PolarHBondContact O-N 2.88Å; E116-K122 WeakPolarHBondContact OE1-CA 3.46Å; E116-K122 WeakPolarHBondContact OE1-CG 3.36Å; E116-I123 HydrophobicContact CG-CB 3.9Å; E116-I123 HydrophobicContact CG-CD1 4.24Å; E116-I123 HydrophobicContact CG-CG1 3.94Å; E116-I123 PolarHBondContact OE1-N 3.06Å |
| 117 | A | 89.4 | Confident | 91.8 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 68% | 0.678 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.7 | -36.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K113 Q114 | K113-A117 WeakPolarHBondContact O-CB 3.45Å; K113-A117 PolarHBondContact O-N 2.93Å; Q114-A117 PolarHBondContact O-N 2.7Å; Q114-A117 VanDerWaalsContact O-N 3.15Å |
| 118 | E | 86.9 | Confident | 91.8 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -81 | -24.7 | -179.2 | -69.1 | -165.2 | -151.1 | 0 | 0 | 113.9 | K54 Q114 E116 | K54-E118 VanDerWaalsContact CD-OE1 3.31Å; K54-E118 WeakPolarHBondContact CD-OE1 3.39Å; K54-E118 WeakPolarHBondContact CE-OE1 3.08Å; K54-E118 WeakPolarHBondContact CE-OE2 3.25Å; K54-E118 VanDerWaalsContact NZ-CD 3.28Å; K54-E118 IonicContact NZ-OE1 2.68Å; K54-E118 IonicContact NZ-OE2 3.61Å; K54-E118 PolarHBondContact NZ-OE2 2.87Å; Q114-E118 HydrophobicContact CG-CG 4.31Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.42Å; Q114-E118 PolarHBondContact NE2-OE1 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.38Å; Q114-E118 PolarHBondContact O-N 2.86Å; E116-E118 PolarHBondContact O-N 2.89Å |
| 119 | T | 89.4 | Confident | 91.7 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -97.3 | -19.8 | 178.1 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | L115 C121 K169 R172 A173 | L115-T119 HydrophobicContact CD1-CG2 3.83Å; L115-T119 HydrophobicContact CG-CG2 4.45Å; L115-T119 WeakPolarHBondContact O-CB 3.36Å; L115-T119 VanDerWaalsContact O-CG2 3.32Å; L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 VanDerWaalsContact O-N 3.09Å; L115-T119 PolarHBondContact O-OG1 3.06Å; T119-C121 PolarHBondContact O-N 3.46Å; T119-C121 WeakPolarHBondContact OG1-CB 3.36Å; T119-C121 PolarHBondContact OG1-N 3.3Å; T119-K169 WeakPolarHBondContact O-CG 3.33Å; T119-R172 HydrophobicContact CG2-CG 4.4Å; T119-A173 HydrophobicContact CG2-CB 3.86Å |
| 120 | G | 89.7 | Confident | 91.7 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 24.9 | -170 | 0 | 0 | 0 | 0 | 0 | 112.7 | E116 | E116-G120 WeakPolarHBondContact O-CA 3.21Å; E116-G120 PolarHBondContact O-N 3.25Å |
| 121 | C | 94.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.054 | 26% | 0.258 | C | S | . | . | trans | -113.6 | 158.2 | 179.3 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | E116 T119 I157 V159 K169 A173 | E116-C121 WeakPolarHBondContact CA-O 3.43Å; E116-C121 WeakPolarHBondContact CB-O 3.12Å; E116-C121 WeakPolarHBondContact CG-O 3.35Å; E116-C121 PolarHBondContact O-N 2.88Å; T119-C121 PolarHBondContact O-N 3.46Å; T119-C121 WeakPolarHBondContact OG1-CB 3.36Å; T119-C121 PolarHBondContact OG1-N 3.3Å; C121-I157 HydrophobicContact CB-CG2 3.91Å; C121-V159 HydrophobicContact CB-CG2 3.95Å; C121-V159 WeakPolarHBondContact SG-CG2 3.47Å; C121-K169 VanDerWaalsContact SG-C 3.59Å; C121-K169 PolarHBondContact SG-O 2.86Å; C121-A173 HydrophobicContact CB-CB 3.98Å | ||
| 122 | K | 95.3 | Very high | 91.6 | Very high | 110 Ų | 110 | 58.5 Ų | 58.5 | 48% | 0.478 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.7 | 171.5 | -173.8 | 178.5 | -175.4 | 174.3 | 0 | 109.7 | E116 M124 I157 T158 | E116-K122 WeakPolarHBondContact OE1-CA 3.46Å; E116-K122 WeakPolarHBondContact OE1-CG 3.36Å; K122-M124 HydrophobicContact CD-SD 4.35Å; K122-M124 HydrophobicContact CG-CG 4.25Å; K122-I157 CarbonylContact O-C 3.09Å; K122-I157 WeakPolarHBondContact O-CA 3.4Å; K122-T158 PolarHBondContact N-O 3.15Å; K122-T158 PolarHBondContact O-N 3.03Å |
| 123 | I | 95.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 111.1 | -167.8 | -61.2 | 178.5 | 0 | 0 | 0 | 109.5 | L115 E116 V155 | L115-I123 HydrophobicContact CB-CD1 4.07Å; L115-I123 HydrophobicContact CD2-CD1 3.66Å; L115-I123 HydrophobicContact CG-CD1 3.54Å; E116-I123 HydrophobicContact CG-CB 3.9Å; E116-I123 HydrophobicContact CG-CD1 4.24Å; E116-I123 HydrophobicContact CG-CG1 3.94Å; E116-I123 PolarHBondContact OE1-N 3.06Å; I123-V155 HydrophobicContact CG2-CG1 3.64Å |
| 124 | M | 93.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 29% | 0.286 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113.1 | -173.5 | -53.4 | -164.5 | 78.4 | 0 | 0 | 110.8 | K122 R126 L156 | K122-M124 HydrophobicContact CD-SD 4.35Å; K122-M124 HydrophobicContact CG-CG 4.25Å; M124-R126 HydrophobicContact CB-CG 4.34Å; M124-R126 PolarHBondContact O-N 2.95Å; M124-L156 HydrophobicContact CB-CB 4.44Å; M124-L156 PolarHBondContact N-O 2.96Å; M124-L156 PolarHBondContact O-N 3.43Å |
| 125 | V | 95.1 | Very high | 91.6 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 130.8 | 167 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | V101 L105 S130 L153 | V101-V125 HydrophobicContact CG1-CG1 4.18Å; V101-V125 HydrophobicContact CG2-CG1 4.12Å; L105-V125 HydrophobicContact CD2-CG2 4.2Å; L105-V125 HydrophobicContact CG-CG2 4.39Å; V125-S130 PolarHBondContact O-OG 2.87Å; V125-L153 HydrophobicContact CG1-CD1 4.19Å |
| 126 | R | 93.8 | Very high | 91.6 | Very high | 72 Ų | 72 | 72.5 Ų | 72.5 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | -178.4 | -175.4 | -68.4 | -59.9 | -176.7 | 90.5 | -10.3 | 109.5 | M124 H148 L153 H154 L156 | M124-R126 HydrophobicContact CB-CG 4.34Å; M124-R126 PolarHBondContact O-N 2.95Å; R126-H148 HydrophobicContact CB-CB 4.4Å; R126-H148 PolarHBondContact NH1-CD2 3.16Å; R126-L153 WeakPolarHBondContact O-CD1 3.2Å; R126-H154 CarbonylContact C-O 3.52Å; R126-H154 WeakPolarHBondContact CB-NE2 3.16Å; R126-H154 PolarHBondContact N-O 2.97Å; R126-H154 PolarHBondContact O-N 2.83Å; R126-L156 HydrophobicContact CG-CB 4.43Å |
| 127 | G | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 86.4 | 177.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S130 H148 E151 D152 | G127-S130 WeakPolarHBondContact O-CB 3Å; G127-S130 PolarHBondContact O-N 3.3Å; G127-H148 CarbonylContact C-O 3.54Å; G127-H148 WeakPolarHBondContact CA-O 3.44Å; G127-H148 PolarHBondContact N-O 3.38Å; G127-E151 CarbonylContact C-O 3.57Å; G127-E151 WeakPolarHBondContact CA-O 3.28Å; G127-D152 WeakPolarHBondContact CA-O 3.12Å |
| 128 | K | 91.5 | Very high | 91.5 | Very high | 119 Ų | 119 | 72 Ų | 72 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 135.7 | 171.4 | 174.4 | -169.9 | 172.9 | -165.8 | 0 | 111.4 | S130 E137 E151 L153 | K128-S130 VanDerWaalsContact C-N 3.29Å; K128-E137 WeakPolarHBondContact CA-OE1 3.44Å; K128-E151 VanDerWaalsContact CB-O 3.27Å; K128-E151 WeakPolarHBondContact CB-O 3.21Å; K128-E151 PolarHBondContact N-O 3.13Å; K128-L153 WeakPolarHBondContact O-CB 3.4Å; K128-L153 WeakPolarHBondContact O-CD1 3.42Å |
| 129 | G | 89.4 | Confident | 91.7 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 6.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | M131 E137 | G129-M131 VanDerWaalsContact C-N 3.29Å; G129-E137 WeakPolarHBondContact CA-OE2 3.4Å; G129-E137 VanDerWaalsContact N-CD 3.28Å; G129-E137 PolarHBondContact N-OE1 3.01Å; G129-E137 PolarHBondContact N-OE2 3.22Å |
| 130 | S | 89.8 | Confident | 91.5 | Very high | 30 Ų | 30 | 77 Ų | 77 | 21% | 0.21 | 37% | 0.371 | C | S | . | . | trans | -74.9 | -18 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | V125 G127 K128 E137 | V125-S130 PolarHBondContact O-OG 2.87Å; G127-S130 WeakPolarHBondContact O-CB 3Å; G127-S130 PolarHBondContact O-N 3.3Å; K128-S130 VanDerWaalsContact C-N 3.29Å; S130-E137 PolarHBondContact N-OE2 3.14Å; S130-E137 VanDerWaalsContact N-OE2 3.1Å | ||
| 131 | M | 90.6 | Very high | 91.4 | Very high | 51 Ų | 51 | 82.1 Ų | 82.1 | 25% | 0.251 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -95.2 | 137.6 | 173.4 | -63.6 | -169.2 | 70.1 | 0 | 0 | 111.5 | G129 D133 K136 E137 W146 | G129-M131 VanDerWaalsContact C-N 3.29Å; M131-D133 PolarHBondContact O-N 2.77Å; M131-K136 HydrophobicContact CE-CB 4.09Å; M131-E137 HydrophobicContact CB-CB 4.04Å; M131-E137 HydrophobicContact CB-CG 4.16Å; M131-E137 WeakPolarHBondContact CB-OE2 3.31Å; M131-E137 HydrophobicContact CG-CB 4.21Å; M131-E137 HydrophobicContact CG-CG 4.02Å; M131-E137 PolarHBondContact N-OE2 2.98Å; M131-E137 HydrophobicContact SD-CB 3.93Å; M131-E137 HydrophobicContact SD-CG 4.07Å; M131-W146 HydrophobicContact CE-CH2 4.27Å; M131-W146 HydrophobicContact CE-CZ3 4.29Å; M131-W146 HydrophobicContact CG-CZ3 4.43Å; M131-W146 HydrophobicContact SD-CE3 4.46Å; M131-W146 HydrophobicContact SD-CH2 4.14Å; M131-W146 HydrophobicContact SD-CZ3 3.58Å; M131-W146 VanDerWaalsContact SD-CZ3 3.58Å |
| 132 | R | 89.1 | Confident | 91 | Very high | 248 Ų | 248 | 85 Ų | 85 | 94% | 0.936 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -55.7 | -35.9 | 171.7 | -174.8 | 179.4 | -176.7 | -176.4 | 1.2 | 113 | ||
| 133 | D | 91.9 | Very high | 90.7 | Very high | 70 Ų | 70 | 84.2 Ų | 84.2 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | trans | -103.3 | 86.2 | -176.3 | -64.9 | -30.5 | 0 | 0 | 0 | 110.8 | M131 K135 K136 E137 | M131-D133 PolarHBondContact O-N 2.77Å; D133-K135 PolarHBondContact O-N 3.34Å; D133-K136 HydrophobicContact CB-CB 4.04Å; D133-K136 HydrophobicContact CB-CD 3.77Å; D133-K136 HydrophobicContact CB-CG 3.86Å; D133-K136 WeakPolarHBondContact O-CA 3.43Å; D133-K136 WeakPolarHBondContact O-CB 3.46Å; D133-K136 PolarHBondContact O-N 3.4Å; D133-K136 WeakPolarHBondContact OD2-CD 3.24Å; D133-K136 VanDerWaalsContact OD2-CE 3.25Å; D133-K136 WeakPolarHBondContact OD2-CE 3.41Å; D133-K136 IonicContact OD2-NZ 2.69Å; D133-K136 PolarHBondContact OD2-NZ 2.8Å; D133-E137 PolarHBondContact O-N 2.99Å; D133-E137 VanDerWaalsContact O-N 3.13Å | ||
| 134 | K | 90.4 | Very high | 90.3 | Very high | 138 Ų | 138 | 88.1 Ų | 88.1 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -48.1 | -38.8 | -179.2 | -176.5 | 177.5 | 171.3 | -176.7 | 0 | 114 | K136 E137 E138 | K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.35Å; K134-E137 VanDerWaalsContact O-CB 3.28Å; K134-E137 WeakPolarHBondContact O-CB 3.34Å; K134-E137 PolarHBondContact O-N 2.86Å; K134-E138 WeakPolarHBondContact CE-OE1 3.17Å; K134-E138 IonicContact NZ-OE1 2.78Å; K134-E138 PolarHBondContact O-N 2.94Å |
| 135 | K | 91.6 | Very high | 89.9 | Confident | 178 Ų | 178 | 92.1 Ų | 92.1 | 77% | 0.774 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -36.5 | 175.8 | -65.7 | -175.2 | 177.9 | -177.7 | 0 | 113.2 | D133 M139 | D133-K135 PolarHBondContact O-N 3.34Å; K135-M139 WeakPolarHBondContact O-CG 3.29Å; K135-M139 PolarHBondContact O-N 3.47Å |
| 136 | K | 90.1 | Very high | 89.7 | Confident | 114 Ų | 114 | 95.2 Ų | 95.2 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76.3 | -31 | 176.3 | -62.9 | -179.1 | -172.4 | 159.5 | 0 | 111.5 | M131 D133 K134 M139 N140 | M131-K136 HydrophobicContact CE-CB 4.09Å; D133-K136 HydrophobicContact CB-CB 4.04Å; D133-K136 HydrophobicContact CB-CD 3.77Å; D133-K136 HydrophobicContact CB-CG 3.86Å; D133-K136 WeakPolarHBondContact O-CA 3.43Å; D133-K136 WeakPolarHBondContact O-CB 3.46Å; D133-K136 PolarHBondContact O-N 3.4Å; D133-K136 WeakPolarHBondContact OD2-CD 3.24Å; D133-K136 VanDerWaalsContact OD2-CE 3.25Å; D133-K136 WeakPolarHBondContact OD2-CE 3.41Å; D133-K136 IonicContact OD2-NZ 2.69Å; D133-K136 PolarHBondContact OD2-NZ 2.8Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.35Å; K136-M139 PolarHBondContact O-N 2.97Å; K136-N140 WeakPolarHBondContact O-CB 3.18Å; K136-N140 PolarHBondContact O-N 3.08Å; K136-N140 PolarHBondContact O-ND2 3.42Å |
| 137 | E | 90.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 97.9 Ų | 97.9 | 6% | 0.056 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.1 | -52 | 174.3 | -159.2 | 179 | 96.5 | 0 | 0 | 110.9 | K128 G129 S130 M131 D133 K134 M139 N140 R141 L149 | K128-E137 WeakPolarHBondContact CA-OE1 3.44Å; G129-E137 WeakPolarHBondContact CA-OE2 3.4Å; G129-E137 VanDerWaalsContact N-CD 3.28Å; G129-E137 PolarHBondContact N-OE1 3.01Å; G129-E137 PolarHBondContact N-OE2 3.22Å; S130-E137 PolarHBondContact N-OE2 3.14Å; S130-E137 VanDerWaalsContact N-OE2 3.1Å; M131-E137 HydrophobicContact CB-CB 4.04Å; M131-E137 HydrophobicContact CB-CG 4.16Å; M131-E137 WeakPolarHBondContact CB-OE2 3.31Å; M131-E137 HydrophobicContact CG-CB 4.21Å; M131-E137 HydrophobicContact CG-CG 4.02Å; M131-E137 PolarHBondContact N-OE2 2.98Å; M131-E137 HydrophobicContact SD-CB 3.93Å; M131-E137 HydrophobicContact SD-CG 4.07Å; D133-E137 PolarHBondContact O-N 2.99Å; D133-E137 VanDerWaalsContact O-N 3.13Å; K134-E137 VanDerWaalsContact O-CB 3.28Å; K134-E137 WeakPolarHBondContact O-CB 3.34Å; K134-E137 PolarHBondContact O-N 2.86Å; E137-M139 VanDerWaalsContact C-N 3.28Å; E137-M139 PolarHBondContact O-N 3Å; E137-N140 PolarHBondContact O-N 2.91Å; E137-R141 PolarHBondContact O-N 3.01Å; E137-L149 HydrophobicContact CG-CD1 3.66Å; E137-L149 HydrophobicContact CG-CD2 3.52Å; E137-L149 HydrophobicContact CG-CG 4.09Å; E137-L149 WeakPolarHBondContact O-CD1 3.3Å |
| 138 | E | 89.1 | Confident | 89.4 | Confident | 116 Ų | 116 | 99.1 Ų | 99.1 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 178.8 | -70.1 | 167.8 | 178.7 | 0 | 0 | 112 | K134 N140 | K134-E138 WeakPolarHBondContact CE-OE1 3.17Å; K134-E138 IonicContact NZ-OE1 2.78Å; K134-E138 PolarHBondContact O-N 2.94Å; E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 2.81Å |
| 139 | M | 89.6 | Confident | 89.4 | Confident | 144 Ų | 144 | 93.5 Ų | 93.5 | 71% | 0.709 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.8 | 173.7 | -70.5 | 179.2 | 70.7 | 0 | 0 | 115.3 | K135 K136 E137 K143 | K135-M139 WeakPolarHBondContact O-CG 3.29Å; K135-M139 PolarHBondContact O-N 3.47Å; K136-M139 PolarHBondContact O-N 2.97Å; E137-M139 VanDerWaalsContact C-N 3.28Å; E137-M139 PolarHBondContact O-N 3Å; M139-K143 WeakPolarHBondContact O-CE 3.36Å; M139-K143 PolarHBondContact O-NZ 3.29Å |
| 140 | N | 86.4 | Confident | 89.3 | Confident | 31 Ų | 31 | 95 Ų | 95 | 17% | 0.166 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -14.3 | 179 | -74.9 | -27.6 | 0 | 0 | 0 | 113.4 | K136 E137 E138 G142 K143 W146 L149 | K136-N140 WeakPolarHBondContact O-CB 3.18Å; K136-N140 PolarHBondContact O-N 3.08Å; K136-N140 PolarHBondContact O-ND2 3.42Å; E137-N140 PolarHBondContact O-N 2.91Å; E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 2.81Å; N140-G142 PolarHBondContact O-N 3.16Å; N140-K143 HydrophobicContact CB-CD 4.48Å; N140-K143 WeakPolarHBondContact O-CB 3.5Å; N140-K143 WeakPolarHBondContact O-CG 3.36Å; N140-K143 PolarHBondContact O-N 3.45Å; N140-K143 VanDerWaalsContact O-N 3.17Å; N140-K143 PolarHBondContact OD1-NZ 3.32Å; N140-W146 HydrophobicContact CB-CD2 3.91Å; N140-W146 HydrophobicContact CB-CE3 4.06Å; N140-W146 HydrophobicContact CB-CG 4.21Å; N140-W146 HydrophobicContact CB-CZ3 4.49Å; N140-W146 VanDerWaalsContact O-CB 3.27Å; N140-W146 WeakPolarHBondContact O-CB 3.43Å; N140-L149 HydrophobicContact CB-CD1 4.09Å |
| 141 | R | 87.6 | Confident | 89.4 | Confident | 145 Ų | 145 | 96.2 Ų | 96.2 | 55% | 0.547 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 132.2 | 176.8 | -158 | 174.3 | -166 | -141.6 | -2 | 110.7 | E137 L149 S150 | E137-R141 PolarHBondContact O-N 3.01Å; R141-L149 HydrophobicContact CB-CB 4.41Å; R141-L149 HydrophobicContact CG-CB 4.08Å; R141-L149 PolarHBondContact NE-O 3.15Å; R141-S150 PolarHBondContact NH2-O 3.35Å |
| 142 | G | 85.6 | Confident | 89.6 | Confident | 69 Ų | 69 | 97 Ų | 97 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 1.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N140 | N140-G142 PolarHBondContact O-N 3.16Š|
| 143 | K | 89.9 | Confident | 89.8 | Confident | 93 Ų | 93 | 85.8 Ų | 85.8 | 40% | 0.404 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -80.7 | 149.5 | 167.8 | -64 | 177.9 | -169.6 | 168 | 0 | 110.5 | M139 N140 W146 | M139-K143 WeakPolarHBondContact O-CE 3.36Å; M139-K143 PolarHBondContact O-NZ 3.29Å; N140-K143 HydrophobicContact CB-CD 4.48Å; N140-K143 WeakPolarHBondContact O-CB 3.5Å; N140-K143 WeakPolarHBondContact O-CG 3.36Å; N140-K143 PolarHBondContact O-N 3.45Å; N140-K143 VanDerWaalsContact O-N 3.17Å; N140-K143 PolarHBondContact OD1-NZ 3.32Å; K143-W146 HydrophobicContact CB-CB 4.21Å; K143-W146 HydrophobicContact CB-CG 4.27Å; K143-W146 WeakPolarHBondContact O-CA 3.24Å; K143-W146 WeakPolarHBondContact O-CB 3.3Å; K143-W146 PolarHBondContact O-N 3.41Å |
| 144 | P | 86.1 | Confident | 90 | Very high | 96 Ų | 96 | 82.6 Ų | 82.6 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 142.9 | 172.8 | 24.8 | -34.6 | 0 | 0 | 0 | 110.6 | W146 | P144-W146 PolarHBondContact O-N 2.89Š|
| 145 | N | 86.1 | Confident | 90.2 | Very high | 143 Ų | 143 | 76 Ų | 76 | 77% | 0.765 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -10.8 | -167.9 | -49.3 | -77.3 | 0 | 0 | 0 | 116.2 | H148 | N145-H148 PolarHBondContact O-CD2 3.21Å; N145-H148 VanDerWaalsContact O-CD2 3.3Å |
| 146 | W | 90.1 | Very high | 90.4 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | trans | -106 | 8 | 177.9 | -63.6 | 90.8 | 0 | 0 | 0 | 113.4 | M131 N140 K143 P144 H148 L149 | M131-W146 HydrophobicContact CE-CH2 4.27Å; M131-W146 HydrophobicContact CE-CZ3 4.29Å; M131-W146 HydrophobicContact CG-CZ3 4.43Å; M131-W146 HydrophobicContact SD-CE3 4.46Å; M131-W146 HydrophobicContact SD-CH2 4.14Å; M131-W146 HydrophobicContact SD-CZ3 3.58Å; M131-W146 VanDerWaalsContact SD-CZ3 3.58Å; N140-W146 HydrophobicContact CB-CD2 3.91Å; N140-W146 HydrophobicContact CB-CE3 4.06Å; N140-W146 HydrophobicContact CB-CG 4.21Å; N140-W146 HydrophobicContact CB-CZ3 4.49Å; N140-W146 VanDerWaalsContact O-CB 3.27Å; N140-W146 WeakPolarHBondContact O-CB 3.43Å; K143-W146 HydrophobicContact CB-CB 4.21Å; K143-W146 HydrophobicContact CB-CG 4.27Å; K143-W146 WeakPolarHBondContact O-CA 3.24Å; K143-W146 WeakPolarHBondContact O-CB 3.3Å; K143-W146 PolarHBondContact O-N 3.41Å; P144-W146 PolarHBondContact O-N 2.89Å; W146-H148 PolarHBondContact O-N 2.9Å; W146-H148 VanDerWaalsContact O-N 3.15Å; W146-L149 HydrophobicContact CB-CD1 4.25Å; W146-L149 HydrophobicContact CD2-CD1 4.43Å; W146-L149 HydrophobicContact CE3-CD1 3.63Å; W146-L149 HydrophobicContact CE3-CG 4.16Å; W146-L149 HydrophobicContact CZ3-CD1 4.36Å; W146-L149 VanDerWaalsContact O-CB 3.31Å; W146-L149 WeakPolarHBondContact O-CB 3.35Å; W146-L149 WeakPolarHBondContact O-CG 3.41Å; W146-L149 PolarHBondContact O-N 3.49Å | ||
| 147 | E | 91.3 | Very high | 90.7 | Very high | 129 Ų | 129 | 63.1 Ų | 63.1 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -54.5 | -32 | 177.9 | -69.6 | 161 | -155.7 | 0 | 0 | 112.7 | L149 S150 | E147-L149 PolarHBondContact O-N 2.88Å; E147-S150 VanDerWaalsContact O-CB 3.29Å; E147-S150 WeakPolarHBondContact O-CB 3.42Å; E147-S150 PolarHBondContact O-N 3.04Å; E147-S150 PolarHBondContact O-OG 3.01Å |
| 148 | H | 89.4 | Confident | 90.9 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -59.6 | -17.2 | 175.1 | 70.2 | 77 | 0 | 0 | 0 | 114 | R126 G127 N145 W146 S150 E151 | R126-H148 HydrophobicContact CB-CB 4.4Å; R126-H148 PolarHBondContact NH1-CD2 3.16Å; G127-H148 CarbonylContact C-O 3.54Å; G127-H148 WeakPolarHBondContact CA-O 3.44Å; G127-H148 PolarHBondContact N-O 3.38Å; N145-H148 PolarHBondContact O-CD2 3.21Å; N145-H148 VanDerWaalsContact O-CD2 3.3Å; W146-H148 PolarHBondContact O-N 2.9Å; W146-H148 VanDerWaalsContact O-N 3.15Å; H148-S150 PolarHBondContact O-N 2.98Å; H148-E151 PolarHBondContact O-N 3.24Å |
| 149 | L | 91.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -72.6 | -4.6 | 171.5 | -60.4 | -176.6 | 0 | 0 | 0 | 112.9 | E137 N140 R141 W146 E147 | E137-L149 HydrophobicContact CG-CD1 3.66Å; E137-L149 HydrophobicContact CG-CD2 3.52Å; E137-L149 HydrophobicContact CG-CG 4.09Å; E137-L149 WeakPolarHBondContact O-CD1 3.3Å; N140-L149 HydrophobicContact CB-CD1 4.09Å; R141-L149 HydrophobicContact CB-CB 4.41Å; R141-L149 HydrophobicContact CG-CB 4.08Å; R141-L149 PolarHBondContact NE-O 3.15Å; W146-L149 HydrophobicContact CB-CD1 4.25Å; W146-L149 HydrophobicContact CD2-CD1 4.43Å; W146-L149 HydrophobicContact CE3-CD1 3.63Å; W146-L149 HydrophobicContact CE3-CG 4.16Å; W146-L149 HydrophobicContact CZ3-CD1 4.36Å; W146-L149 VanDerWaalsContact O-CB 3.31Å; W146-L149 WeakPolarHBondContact O-CB 3.35Å; W146-L149 WeakPolarHBondContact O-CG 3.41Å; W146-L149 PolarHBondContact O-N 3.49Å; E147-L149 PolarHBondContact O-N 2.88Å |
| 150 | S | 88.5 | Confident | 91.5 | Very high | 74 Ų | 74 | 58 Ų | 58 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -82.1 | -30.5 | 169.7 | 67.8 | 0 | 0 | 0 | 0 | 113 | R141 E147 H148 | R141-S150 PolarHBondContact NH2-O 3.35Å; E147-S150 VanDerWaalsContact O-CB 3.29Å; E147-S150 WeakPolarHBondContact O-CB 3.42Å; E147-S150 PolarHBondContact O-N 3.04Å; E147-S150 PolarHBondContact O-OG 3.01Å; H148-S150 PolarHBondContact O-N 2.98Å |
| 151 | E | 92.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -79.4 | 160.1 | -178.3 | -56.3 | -175.3 | -158.7 | 0 | 0 | 112.6 | K87 G127 K128 H148 H154 | K87-E151 IonicContact NZ-OE1 2.99Å; K87-E151 PolarHBondContact NZ-OE1 2.91Å; K87-E151 IonicContact NZ-OE2 3.67Å; K87-E151 PolarHBondContact NZ-OE2 3.17Å; G127-E151 CarbonylContact C-O 3.57Å; G127-E151 WeakPolarHBondContact CA-O 3.28Å; K128-E151 VanDerWaalsContact CB-O 3.27Å; K128-E151 WeakPolarHBondContact CB-O 3.21Å; K128-E151 PolarHBondContact N-O 3.13Å; H148-E151 PolarHBondContact O-N 3.24Å; E151-H154 IonicContact OE2-CE1 3.53Å; E151-H154 PolarHBondContact OE2-CE1 3.31Å; E151-H154 IonicContact OE2-ND1 3.96Å; E151-H154 IonicContact OE2-NE2 2.88Å |
| 152 | D | 93.3 | Very high | 92 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 158.7 | 169.5 | -85.3 | -23.3 | 0 | 0 | 0 | 111.7 | Y89 K93 G127 H154 | Y89-D152 HydrophobicContact CD1-CB 4.23Å; Y89-D152 HydrophobicContact CE1-CB 4.43Å; K93-D152 WeakPolarHBondContact CE-OD2 3.48Å; K93-D152 IonicContact NZ-OD2 2.65Å; K93-D152 PolarHBondContact NZ-OD2 2.94Å; G127-D152 WeakPolarHBondContact CA-O 3.12Å; D152-H154 PolarHBondContact O-N 3.06Å; D152-H154 PolarHBondContact O-ND1 3.2Å |
| 153 | L | 94.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -56 | 124.3 | -178.5 | -169.7 | 71.7 | 0 | 0 | 0 | 111.2 | V90 V92 V101 V125 R126 K128 | V90-L153 HydrophobicContact CB-CB 4.31Å; V90-L153 HydrophobicContact CB-CD2 3.86Å; V90-L153 HydrophobicContact CB-CG 4.09Å; V90-L153 HydrophobicContact CG1-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CB 4.44Å; V90-L153 HydrophobicContact CG2-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CG 3.87Å; V90-L153 PolarHBondContact N-O 3.49Å; V92-L153 HydrophobicContact CG1-CD2 3.65Å; V101-L153 HydrophobicContact CG2-CD1 4.14Å; V101-L153 HydrophobicContact CG2-CD2 3.83Å; V125-L153 HydrophobicContact CG1-CD1 4.19Å; R126-L153 WeakPolarHBondContact O-CD1 3.2Å; K128-L153 WeakPolarHBondContact O-CB 3.4Å; K128-L153 WeakPolarHBondContact O-CD1 3.42Å |
| 154 | H | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 155.4 | -178.9 | 63 | -90.5 | 0 | 0 | 0 | 112.7 | L88 Y89 R126 E151 D152 | L88-H154 CarbonylContact O-C 3.5Å; L88-H154 WeakPolarHBondContact O-CA 3.29Å; L88-H154 WeakPolarHBondContact O-CB 3.37Å; Y89-H154 HydrophobicContact CD1-CB 3.83Å; Y89-H154 HydrophobicContact CE1-CB 4.12Å; Y89-H154 HydrophobicContact CG-CB 4.42Å; R126-H154 CarbonylContact C-O 3.52Å; R126-H154 WeakPolarHBondContact CB-NE2 3.16Å; R126-H154 PolarHBondContact N-O 2.97Å; R126-H154 PolarHBondContact O-N 2.83Å; E151-H154 IonicContact OE2-CE1 3.53Å; E151-H154 PolarHBondContact OE2-CE1 3.31Å; E151-H154 IonicContact OE2-ND1 3.96Å; E151-H154 IonicContact OE2-NE2 2.88Å; D152-H154 PolarHBondContact O-N 3.06Å; D152-H154 PolarHBondContact O-ND1 3.2Å |
| 155 | V | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.9 | 165.5 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | L88 I104 I123 I157 V177 | L88-V155 PolarHBondContact N-O 3.36Å; L88-V155 PolarHBondContact O-N 3.05Å; I104-V155 HydrophobicContact CD1-CG2 3.94Å; I123-V155 HydrophobicContact CG2-CG1 3.64Å; V155-I157 HydrophobicContact CG1-CG1 4.11Å; V155-V177 HydrophobicContact CB-CG1 4.2Å; V155-V177 HydrophobicContact CG1-CG1 4.27Å; V155-V177 HydrophobicContact CG2-CG1 4.06Å |
| 156 | L | 95.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.7 | 168.7 | 177.2 | 69.6 | 0 | 0 | 0 | 108.2 | Q85 K87 M124 R126 T158 | Q85-L156 HydrophobicContact CB-CD1 4.29Å; K87-L156 HydrophobicContact CG-CD1 3.84Å; M124-L156 HydrophobicContact CB-CB 4.44Å; M124-L156 PolarHBondContact N-O 2.96Å; M124-L156 PolarHBondContact O-N 3.43Å; R126-L156 HydrophobicContact CG-CB 4.43Å; L156-T158 HydrophobicContact CD1-CG2 4.23Å; L156-T158 HydrophobicContact CD2-CG2 4.16Å; L156-T158 HydrophobicContact CG-CG2 3.9Å |
| 157 | I | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.1 | 173.2 | -55.1 | 173.6 | 0 | 0 | 0 | 107.3 | Q85 E86 L88 C121 K122 V155 L170 A173 I174 V177 | Q85-I157 CarbonylContact C-O 3.55Å; Q85-I157 VanDerWaalsContact CA-O 3.25Å; Q85-I157 WeakPolarHBondContact CA-O 3.36Å; E86-I157 PolarHBondContact N-O 3.37Å; E86-I157 PolarHBondContact O-N 3.46Å; L88-I157 HydrophobicContact CD1-CD1 3.81Å; C121-I157 HydrophobicContact CB-CG2 3.91Å; K122-I157 CarbonylContact O-C 3.09Å; K122-I157 WeakPolarHBondContact O-CA 3.4Å; V155-I157 HydrophobicContact CG1-CG1 4.11Å; I157-L170 HydrophobicContact CB-CD1 4.12Å; I157-L170 HydrophobicContact CG2-CD1 3.74Å; I157-A173 HydrophobicContact CD1-CB 4.24Å; I157-A173 HydrophobicContact CG2-CB 3.94Å; I157-I174 HydrophobicContact CD1-CG1 3.89Å; I157-V177 HydrophobicContact CD1-CB 4.33Å; I157-V177 HydrophobicContact CD1-CG2 4Å |
| 158 | T | 95.5 | Very high | 92.7 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.3 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 111.7 | L84 Q85 K122 L156 | L84-T158 CarbonylContact O-C 3.56Å; L84-T158 WeakPolarHBondContact O-CA 3.44Å; Q85-T158 HydrophobicContact CB-CG2 3.86Å; K122-T158 PolarHBondContact N-O 3.15Å; K122-T158 PolarHBondContact O-N 3.03Å; L156-T158 HydrophobicContact CD1-CG2 4.23Å; L156-T158 HydrophobicContact CD2-CG2 4.16Å; L156-T158 HydrophobicContact CG-CG2 3.9Å |
| 159 | V | 95.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.3 | -175.1 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | Q83 L84 C121 A166 K169 L170 | Q83-V159 CarbonylContact C-O 3.58Å; Q83-V159 VanDerWaalsContact CA-O 3.29Å; Q83-V159 WeakPolarHBondContact CA-O 3.47Å; L84-V159 PolarHBondContact N-O 3.25Å; L84-V159 PolarHBondContact O-N 3.24Å; C121-V159 HydrophobicContact CB-CG2 3.95Å; C121-V159 WeakPolarHBondContact SG-CG2 3.47Å; V159-A166 HydrophobicContact CG1-CB 4.16Å; V159-K169 HydrophobicContact CG1-CB 3.98Å; V159-K169 HydrophobicContact CG1-CD 3.95Å; V159-L170 HydrophobicContact CG2-CB 3.92Å; V159-L170 HydrophobicContact CG2-CD1 4.07Å |
| 160 | E | 94.3 | Very high | 92.9 | Very high | 140 Ų | 140 | 41.1 Ų | 41.1 | 65% | 0.654 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 103.1 | 177.1 | -172.6 | 174.4 | 162.8 | 0 | 0 | 108.5 | V81 | V81-E160 HydrophobicContact CG1-CG 3.83Å |
| 161 | D | 92.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 178 | -179.4 | -148.5 | -50.4 | 0 | 0 | 0 | 109.5 | A82 R165 A166 K169 | A82-D161 PolarHBondContact N-O 3.17Å; A82-D161 PolarHBondContact O-N 2.94Å; D161-R165 HydrophobicContact CB-CB 4.31Å; D161-R165 VanDerWaalsContact CG-NH1 3.29Å; D161-R165 WeakPolarHBondContact OD1-CB 3.32Å; D161-R165 WeakPolarHBondContact OD1-CD 3.39Å; D161-R165 IonicContact OD1-CZ 2.95Å; D161-R165 IonicContact OD1-NE 3.81Å; D161-R165 IonicContact OD1-NH1 3.79Å; D161-R165 PolarHBondContact OD1-NH1 3.04Å; D161-R165 IonicContact OD2-CZ 2.75Å; D161-R165 IonicContact OD2-NH1 3.62Å; D161-R165 PolarHBondContact OD2-NH1 2.89Å; D161-A166 HydrophobicContact CB-CB 4.01Å; D161-K169 WeakPolarHBondContact OD2-CE 3.25Å; D161-K169 IonicContact OD2-NZ 2.92Å; D161-K169 PolarHBondContact OD2-NZ 3.28Å |
| 162 | T | 93.3 | Very high | 93 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 145.7 | 165 | 57 | 0 | 0 | 0 | 0 | 111.4 | A77 G79 N164 R165 A166 | A77-T162 HydrophobicContact CB-CG2 3.78Å; G79-T162 WeakPolarHBondContact O-CG2 3.5Å; T162-N164 PolarHBondContact O-N 2.86Å; T162-R165 PolarHBondContact O-N 3.06Å; T162-R165 VanDerWaalsContact OG1-CD 3.24Å; T162-R165 WeakPolarHBondContact OG1-CD 3.45Å; T162-R165 WeakPolarHBondContact OG1-CG 3.41Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.48Å; T162-A166 PolarHBondContact O-N 2.97Å |
| 163 | H | 90.8 | Very high | 93 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 45% | 0.449 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -53.3 | -36.3 | -169.1 | -172.2 | 71.9 | 0 | 0 | 0 | 114.6 | K167 | H163-K167 WeakPolarHBondContact O-CG 3.13Å; H163-K167 PolarHBondContact O-N 2.77Å |
| 164 | N | 88.3 | Confident | 92.9 | Very high | 73 Ų | 73 | 39 Ų | 39 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.4 | -47.4 | 179.1 | -65.1 | -10.9 | 0 | 0 | 0 | 111.8 | T162 | T162-N164 PolarHBondContact O-N 2.86Å |
| 165 | R | 90.4 | Very high | 92.8 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.2 | -39.3 | 179.5 | -60.3 | 173.6 | 86.4 | -132.3 | 12.8 | 111.5 | P75 D161 T162 K167 I168 K169 | P75-R165 HydrophobicContact CG-CG 4.22Å; P75-R165 WeakPolarHBondContact O-CD 3.44Å; P75-R165 WeakPolarHBondContact O-CG 3.27Å; P75-R165 PolarHBondContact O-NE 3.3Å; D161-R165 HydrophobicContact CB-CB 4.31Å; D161-R165 VanDerWaalsContact CG-NH1 3.29Å; D161-R165 WeakPolarHBondContact OD1-CB 3.32Å; D161-R165 WeakPolarHBondContact OD1-CD 3.39Å; D161-R165 IonicContact OD1-CZ 2.95Å; D161-R165 IonicContact OD1-NE 3.81Å; D161-R165 IonicContact OD1-NH1 3.79Å; D161-R165 PolarHBondContact OD1-NH1 3.04Å; D161-R165 IonicContact OD2-CZ 2.75Å; D161-R165 IonicContact OD2-NH1 3.62Å; D161-R165 PolarHBondContact OD2-NH1 2.89Å; T162-R165 PolarHBondContact O-N 3.06Å; T162-R165 VanDerWaalsContact OG1-CD 3.24Å; T162-R165 WeakPolarHBondContact OG1-CD 3.45Å; T162-R165 WeakPolarHBondContact OG1-CG 3.41Å; R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 2.93Å; R165-I168 PolarHBondContact O-N 3.06Å; R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3.37Å |
| 166 | A | 91.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L84 V159 D161 T162 L170 | L84-A166 HydrophobicContact CD1-CB 3.64Å; L84-A166 HydrophobicContact CG-CB 4.03Å; V159-A166 HydrophobicContact CG1-CB 4.16Å; D161-A166 HydrophobicContact CB-CB 4.01Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.48Å; T162-A166 PolarHBondContact O-N 2.97Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.06Å |
| 167 | K | 91.1 | Very high | 92.2 | Very high | 108 Ų | 108 | 44.2 Ų | 44.2 | 47% | 0.47 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 174.5 | -80.5 | 174.2 | 174.4 | 169.3 | 0 | 112.5 | L84 H163 R165 L170 Q171 | L84-K167 HydrophobicContact CD1-CG 4.16Å; H163-K167 WeakPolarHBondContact O-CG 3.13Å; H163-K167 PolarHBondContact O-N 2.77Å; R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 2.93Å; K167-L170 PolarHBondContact O-N 3.23Å; K167-Q171 WeakPolarHBondContact O-CG 3.49Å; K167-Q171 PolarHBondContact O-N 3.18Å |
| 168 | I | 91.3 | Very high | 92 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -49.9 | -177.5 | -63.5 | 165.1 | 0 | 0 | 0 | 110.3 | L74 P75 R165 L170 Q171 R172 | L74-I168 HydrophobicContact CD2-CG2 4.23Å; P75-I168 HydrophobicContact CG-CD1 3.63Å; R165-I168 PolarHBondContact O-N 3.06Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 3.41Å; I168-Q171 PolarHBondContact O-N 2.95Å; I168-R172 WeakPolarHBondContact O-CB 3.49Å; I168-R172 PolarHBondContact O-N 3.21Å |
| 169 | K | 91.6 | Very high | 91.7 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.2 | -48.2 | 174.2 | -75.3 | -177 | 166.8 | 178.2 | 0 | 112.6 | L74 T119 C121 V159 D161 R165 R172 A173 | L74-K169 HydrophobicContact CD1-CG 4.4Å; L74-K169 HydrophobicContact CD2-CG 3.86Å; T119-K169 WeakPolarHBondContact O-CG 3.33Å; C121-K169 VanDerWaalsContact SG-C 3.59Å; C121-K169 PolarHBondContact SG-O 2.86Å; V159-K169 HydrophobicContact CG1-CB 3.98Å; V159-K169 HydrophobicContact CG1-CD 3.95Å; D161-K169 WeakPolarHBondContact OD2-CE 3.25Å; D161-K169 IonicContact OD2-NZ 2.92Å; D161-K169 PolarHBondContact OD2-NZ 3.28Å; R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3.37Å; K169-R172 PolarHBondContact O-N 2.95Å; K169-A173 PolarHBondContact O-N 3.46Å |
| 170 | L | 93.7 | Very high | 91.3 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -50.4 | -179.7 | -179.5 | 54 | 0 | 0 | 0 | 110.8 | L84 E86 I157 V159 A166 K167 I168 R172 A173 I174 | L84-L170 HydrophobicContact CB-CD2 3.87Å; L84-L170 HydrophobicContact CD1-CD2 4.27Å; E86-L170 HydrophobicContact CB-CD1 3.96Å; E86-L170 HydrophobicContact CB-CD2 4.46Å; I157-L170 HydrophobicContact CB-CD1 4.12Å; I157-L170 HydrophobicContact CG2-CD1 3.74Å; V159-L170 HydrophobicContact CG2-CB 3.92Å; V159-L170 HydrophobicContact CG2-CD1 4.07Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.06Å; K167-L170 PolarHBondContact O-N 3.23Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 3.41Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.36Å; L170-A173 PolarHBondContact O-N 2.91Å; L170-I174 HydrophobicContact CD1-CD1 3.74Å; L170-I174 HydrophobicContact CD1-CG1 4.17Å; L170-I174 HydrophobicContact CG-CD1 3.63Å; L170-I174 WeakPolarHBondContact O-CB 3.37Å; L170-I174 VanDerWaalsContact O-CD1 3.26Å; L170-I174 WeakPolarHBondContact O-CD1 3.32Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 2.71Å |
| 171 | Q | 92.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 46.7 Ų | 46.7 | 42% | 0.416 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.7 | -68.6 | -58.8 | -61.4 | 0 | 0 | 112.6 | K167 I168 I174 N175 | K167-Q171 WeakPolarHBondContact O-CG 3.49Å; K167-Q171 PolarHBondContact O-N 3.18Å; I168-Q171 PolarHBondContact O-N 2.95Å; Q171-I174 PolarHBondContact O-N 3.45Å; Q171-N175 WeakPolarHBondContact O-CB 3.48Å; Q171-N175 PolarHBondContact O-N 3.38Å; Q171-N175 PolarHBondContact O-ND2 3.47Å |
| 172 | R | 90.8 | Very high | 90.7 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.8 | -51 | 172.8 | -172.1 | -178.6 | -179.2 | 117.5 | 6.3 | 111.4 | D70 T119 I168 K169 L170 I174 N175 E176 | D70-R172 PolarHBondContact O-NH1 3.36Å; T119-R172 HydrophobicContact CG2-CG 4.4Å; I168-R172 WeakPolarHBondContact O-CB 3.49Å; I168-R172 PolarHBondContact O-N 3.21Å; K169-R172 PolarHBondContact O-N 2.95Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.36Å; R172-I174 VanDerWaalsContact C-N 3.34Å; R172-I174 PolarHBondContact O-N 3.17Å; R172-N175 PolarHBondContact O-N 3.03Å; R172-E176 PolarHBondContact O-N 2.87Å; R172-E176 VanDerWaalsContact O-N 3.1Å |
| 173 | A | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | T119 C121 I157 K169 L170 E176 V177 | T119-A173 HydrophobicContact CG2-CB 3.86Å; C121-A173 HydrophobicContact CB-CB 3.98Å; I157-A173 HydrophobicContact CD1-CB 4.24Å; I157-A173 HydrophobicContact CG2-CB 3.94Å; K169-A173 PolarHBondContact O-N 3.46Å; L170-A173 PolarHBondContact O-N 2.91Å; A173-E176 PolarHBondContact O-N 3.21Å; A173-V177 WeakPolarHBondContact O-CB 3.45Å; A173-V177 WeakPolarHBondContact O-CG2 3.46Å; A173-V177 PolarHBondContact O-N 2.99Å |
| 174 | I | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.4 | -72.9 | 156.7 | 0 | 0 | 0 | 111.2 | E86 L88 I157 L170 Q171 R172 V177 K178 | E86-I174 HydrophobicContact CB-CD1 4.16Å; E86-I174 HydrophobicContact CG-CD1 4.18Å; E86-I174 WeakPolarHBondContact OE1-CD1 3.37Å; E86-I174 WeakPolarHBondContact OE2-CD1 3.45Å; L88-I174 HydrophobicContact CD1-CB 4.33Å; L88-I174 HydrophobicContact CD1-CG1 4.22Å; L88-I174 HydrophobicContact CD1-CG2 4.14Å; L88-I174 HydrophobicContact CD2-CG2 4.22Å; I157-I174 HydrophobicContact CD1-CG1 3.89Å; L170-I174 HydrophobicContact CD1-CD1 3.74Å; L170-I174 HydrophobicContact CD1-CG1 4.17Å; L170-I174 HydrophobicContact CG-CD1 3.63Å; L170-I174 WeakPolarHBondContact O-CB 3.37Å; L170-I174 VanDerWaalsContact O-CD1 3.26Å; L170-I174 WeakPolarHBondContact O-CD1 3.32Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 2.71Å; Q171-I174 PolarHBondContact O-N 3.45Å; R172-I174 VanDerWaalsContact C-N 3.34Å; R172-I174 PolarHBondContact O-N 3.17Å; I174-V177 PolarHBondContact O-N 2.64Å; I174-K178 HydrophobicContact CG2-CD 3.78Å; I174-K178 HydrophobicContact CG2-CG 4.41Å; I174-K178 WeakPolarHBondContact O-CB 3.5Å; I174-K178 VanDerWaalsContact O-CG 3.23Å; I174-K178 WeakPolarHBondContact O-CG 3.18Å; I174-K178 PolarHBondContact O-N 2.97Å |
| 175 | N | 91.5 | Very high | 88.9 | Confident | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -41.9 | -179.6 | -70.6 | -18.5 | 0 | 0 | 0 | 111.7 | Q171 R172 K178 K179 | Q171-N175 WeakPolarHBondContact O-CB 3.48Å; Q171-N175 PolarHBondContact O-N 3.38Å; Q171-N175 PolarHBondContact O-ND2 3.47Å; R172-N175 PolarHBondContact O-N 3.03Å; N175-K178 PolarHBondContact O-N 3.45Å; N175-K179 WeakPolarHBondContact O-CG 3.25Å; N175-K179 PolarHBondContact O-N 3.25Å |
| 176 | E | 88.9 | Confident | 87.6 | Confident | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 173.6 | -63.9 | -47.7 | 133.8 | 0 | 0 | 112.4 | L115 R172 A173 K178 K179 L180 | L115-E176 HydrophobicContact CD1-CB 3.61Å; L115-E176 HydrophobicContact CD1-CG 3.92Å; L115-E176 HydrophobicContact CD2-CB 4.34Å; R172-E176 PolarHBondContact O-N 2.87Å; R172-E176 VanDerWaalsContact O-N 3.1Å; A173-E176 PolarHBondContact O-N 3.21Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.43Å; E176-K179 WeakPolarHBondContact O-CB 3.3Å; E176-K179 PolarHBondContact O-N 3.24Å; E176-K179 WeakPolarHBondContact OE1-CE 3.24Å; E176-K179 IonicContact OE1-NZ 2.86Å; E176-K179 PolarHBondContact OE1-NZ 3.33Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 WeakPolarHBondContact OE2-CE 3.47Å; E176-K179 IonicContact OE2-NZ 2.68Å; E176-K179 PolarHBondContact OE2-NZ 2.88Å; E176-L180 PolarHBondContact O-N 2.87Å |
| 177 | V | 91.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L88 L115 V155 I157 A173 I174 K179 L180 L181 | L88-V177 HydrophobicContact CD1-CB 3.93Å; L88-V177 HydrophobicContact CD1-CG1 3.71Å; L115-V177 HydrophobicContact CD2-CG2 3.93Å; V155-V177 HydrophobicContact CB-CG1 4.2Å; V155-V177 HydrophobicContact CG1-CG1 4.27Å; V155-V177 HydrophobicContact CG2-CG1 4.06Å; I157-V177 HydrophobicContact CD1-CB 4.33Å; I157-V177 HydrophobicContact CD1-CG2 4Å; A173-V177 WeakPolarHBondContact O-CB 3.45Å; A173-V177 WeakPolarHBondContact O-CG2 3.46Å; A173-V177 PolarHBondContact O-N 2.99Å; I174-V177 PolarHBondContact O-N 2.64Å; V177-K179 VanDerWaalsContact C-N 3.34Å; V177-K179 PolarHBondContact O-N 2.84Å; V177-L180 WeakPolarHBondContact O-CB 3.5Å; V177-L180 PolarHBondContact O-N 3.16Å; V177-L181 HydrophobicContact CG1-CD1 4.04Å; V177-L181 HydrophobicContact CG1-CG 4.23Å; V177-L181 WeakPolarHBondContact O-CG 3.31Å; V177-L181 PolarHBondContact O-N 2.77Å |
| 178 | K | 91.7 | Very high | 85.8 | Confident | 98 Ų | 98 | 57.3 Ų | 57.3 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 174.4 | -79 | 168.3 | 179.6 | 166.6 | 0 | 112.7 | I174 N175 E176 L180 L181 V182 | I174-K178 HydrophobicContact CG2-CD 3.78Å; I174-K178 HydrophobicContact CG2-CG 4.41Å; I174-K178 WeakPolarHBondContact O-CB 3.5Å; I174-K178 VanDerWaalsContact O-CG 3.23Å; I174-K178 WeakPolarHBondContact O-CG 3.18Å; I174-K178 PolarHBondContact O-N 2.97Å; N175-K178 PolarHBondContact O-N 3.45Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.43Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.67Å; K178-L181 PolarHBondContact O-N 2.8Å; K178-V182 PolarHBondContact O-N 3.27Å |
| 179 | K | 88.5 | Confident | 85.5 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 172.7 | -62.9 | 173.4 | -165.3 | 169.5 | 0 | 111.8 | N175 E176 V177 L181 V182 | N175-K179 WeakPolarHBondContact O-CG 3.25Å; N175-K179 PolarHBondContact O-N 3.25Å; E176-K179 WeakPolarHBondContact O-CB 3.3Å; E176-K179 PolarHBondContact O-N 3.24Å; E176-K179 WeakPolarHBondContact OE1-CE 3.24Å; E176-K179 IonicContact OE1-NZ 2.86Å; E176-K179 PolarHBondContact OE1-NZ 3.33Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 WeakPolarHBondContact OE2-CE 3.47Å; E176-K179 IonicContact OE2-NZ 2.68Å; E176-K179 PolarHBondContact OE2-NZ 2.88Å; V177-K179 VanDerWaalsContact C-N 3.34Å; V177-K179 PolarHBondContact O-N 2.84Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-V182 PolarHBondContact O-N 3.43Å |
| 180 | L | 88.1 | Confident | 85.2 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.8 | -27.8 | 179.3 | -58.8 | 175.4 | 0 | 0 | 0 | 113.1 | R103 I104 L115 E176 V177 K178 V182 L191 | R103-L180 PolarHBondContact NH1-O 2.67Å; I104-L180 HydrophobicContact CG1-CB 3.96Å; I104-L180 HydrophobicContact CG1-CD1 4.13Å; L115-L180 HydrophobicContact CD2-CD1 4.17Å; E176-L180 PolarHBondContact O-N 2.87Å; V177-L180 WeakPolarHBondContact O-CB 3.5Å; V177-L180 PolarHBondContact O-N 3.16Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.67Å; L180-V182 VanDerWaalsContact C-N 3.35Å; L180-L191 HydrophobicContact CD2-CD2 3.3Å |
| 181 | L | 88.9 | Confident | 84.8 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -80.1 | -8.1 | 177.9 | -66.2 | 176.1 | 0 | 0 | 0 | 114.3 | L88 V90 F100 I104 V177 K178 K179 | L88-L181 HydrophobicContact CB-CD1 4.31Å; V90-L181 HydrophobicContact CB-CD2 4.17Å; V90-L181 HydrophobicContact CG1-CD2 3.88Å; V90-L181 HydrophobicContact CG2-CD2 3.87Å; F100-L181 HydrophobicContact CD1-CD2 4.3Å; F100-L181 WeakPolarHBondContact CE1-O 3.46Å; I104-L181 HydrophobicContact CD1-CD2 4.01Å; V177-L181 HydrophobicContact CG1-CD1 4.04Å; V177-L181 HydrophobicContact CG1-CG 4.23Å; V177-L181 WeakPolarHBondContact O-CG 3.31Å; V177-L181 PolarHBondContact O-N 2.77Å; K178-L181 PolarHBondContact O-N 2.8Å; K179-L181 VanDerWaalsContact C-N 3.33Å |
| 182 | V | 85.9 | Confident | 84.7 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -91.5 | 116.3 | 169.1 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | R103 K178 K179 L180 A184 | R103-V182 PolarHBondContact NH1-O 2.85Å; K178-V182 PolarHBondContact O-N 3.27Å; K179-V182 PolarHBondContact O-N 3.43Å; L180-V182 VanDerWaalsContact C-N 3.35Å; V182-A184 PolarHBondContact O-N 3.21Å |
| 183 | P | 80.1 | Confident | 84.6 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 125.6 | 176.2 | 29.4 | -32.9 | 0 | 0 | 0 | 110.1 | Y95 F98 | Y95-P183 HydrophobicContact CD1-CG 3.67Å; Y95-P183 HydrophobicContact CD2-CG 3.82Å; Y95-P183 HydrophobicContact CE1-CG 3.75Å; Y95-P183 HydrophobicContact CE2-CG 3.91Å; Y95-P183 HydrophobicContact CG-CG 3.71Å; F98-P183 HydrophobicContact CD1-CB 4.07Å; F98-P183 HydrophobicContact CD2-CB 3.59Å; F98-P183 HydrophobicContact CE1-CB 4.08Å; F98-P183 HydrophobicContact CE2-CB 3.61Å; F98-P183 HydrophobicContact CG-CB 3.82Å; F98-P183 HydrophobicContact CZ-CB 3.86Å |
| 184 | A | 78.1 | Confident | 84.3 | Confident | 38 Ų | 38 | 58 Ų | 58 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 155.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V182 D189 | V182-A184 PolarHBondContact O-N 3.21Å; A184-D189 HydrophobicContact CB-CB 3.89Å |
| 185 | A | 74.9 | Confident | 84.3 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 147.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | G187 E188 D189 | A185-G187 PolarHBondContact O-N 2.94Å; A185-G187 VanDerWaalsContact O-N 3.12Å; A185-E188 HydrophobicContact CB-CB 4.42Å; A185-E188 HydrophobicContact CB-CG 4.34Å; A185-E188 PolarHBondContact O-N 3.42Å; A185-D189 PolarHBondContact O-N 3.5Å |
| 186 | E | 64.5 | Low | 84.3 | Confident | 163 Ų | 163 | 59.8 Ų | 59.8 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 115.1 | 177.6 | -72.3 | -103.4 | 95.4 | 0 | 0 | 110.1 | K192 | E186-K192 IonicContact OE1-NZ 3.6Å; E186-K192 PolarHBondContact OE1-NZ 3.28Å |
| 187 | G | 66.8 | Low | 84.3 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.2 | -21.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A185 K193 | A185-G187 PolarHBondContact O-N 2.94Å; A185-G187 VanDerWaalsContact O-N 3.12Å; G187-K193 WeakPolarHBondContact O-CE 3.44Å; G187-K193 PolarHBondContact O-NZ 3Å |
| 188 | E | 77.1 | Confident | 84.2 | Confident | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -22.6 | 177.3 | -63.9 | -174.3 | 160.8 | 0 | 0 | 112.9 | A185 N190 | A185-E188 HydrophobicContact CB-CB 4.42Å; A185-E188 HydrophobicContact CB-CG 4.34Å; A185-E188 PolarHBondContact O-N 3.42Å; E188-N190 VanDerWaalsContact C-N 3.34Å; E188-N190 PolarHBondContact O-N 2.94Å; E188-N190 PolarHBondContact O-OD1 2.96Å |
| 189 | D | 84.3 | Confident | 84.3 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | trans | -66.6 | 82.2 | -179.2 | -163.9 | -2 | 0 | 0 | 0 | 113.2 | R103 A184 A185 L191 K192 K193 | R103-D189 IonicContact CZ-OD1 3.36Å; R103-D189 IonicContact CZ-OD2 2.59Å; R103-D189 IonicContact NE-OD1 3.8Å; R103-D189 IonicContact NE-OD2 3.48Å; R103-D189 PolarHBondContact NE-OD2 3.31Å; R103-D189 IonicContact NH2-OD1 3.15Å; R103-D189 PolarHBondContact NH2-OD1 3.44Å; R103-D189 IonicContact NH2-OD2 3.64Å; R103-D189 PolarHBondContact NH2-OD2 2.86Å; R103-D189 VanDerWaalsContact NH2-OD2 3.15Å; A184-D189 HydrophobicContact CB-CB 3.89Å; A185-D189 PolarHBondContact O-N 3.5Å; D189-L191 PolarHBondContact O-N 2.91Å; D189-L191 WeakPolarHBondContact OD1-CB 3.44Å; D189-K192 HydrophobicContact CB-CB 3.81Å; D189-K192 HydrophobicContact CB-CD 4.35Å; D189-K192 WeakPolarHBondContact O-CB 3.18Å; D189-K192 PolarHBondContact O-N 3.01Å; D189-K192 VanDerWaalsContact O-N 3.15Å; D189-K192 PolarHBondContact OD1-N 2.89Å; D189-K192 VanDerWaalsContact OD2-CB 3.29Å; D189-K192 WeakPolarHBondContact OD2-CB 3.32Å; D189-K193 PolarHBondContact O-N 3.39Å; D189-K193 VanDerWaalsContact O-N 3.11Å | ||
| 190 | N | 85.5 | Confident | 84.4 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -31.2 | 180 | -66.9 | -33.4 | 0 | 0 | 0 | 112.7 | T60 E188 K193 M194 | T60-N190 HydrophobicContact CG2-CB 4.21Å; E188-N190 VanDerWaalsContact C-N 3.34Å; E188-N190 PolarHBondContact O-N 2.94Å; E188-N190 PolarHBondContact O-OD1 2.96Å; N190-K193 WeakPolarHBondContact O-CB 3.29Å; N190-K193 PolarHBondContact O-N 3.28Å; N190-K193 PolarHBondContact OD1-NZ 3.48Å; N190-M194 PolarHBondContact O-N 3.43Å |
| 191 | L | 86.8 | Confident | 84.5 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 172 | 168.7 | 60.7 | 0 | 0 | 0 | 111.3 | Y57 R103 L180 D189 K193 M194 Q195 | Y57-L191 HydrophobicContact CD2-CD1 4.17Å; Y57-L191 HydrophobicContact CE2-CD1 3.25Å; Y57-L191 WeakPolarHBondContact OH-CD1 3.49Å; R103-L191 HydrophobicContact CG-CD2 4.02Å; L180-L191 HydrophobicContact CD2-CD2 3.3Å; D189-L191 PolarHBondContact O-N 2.91Å; D189-L191 WeakPolarHBondContact OD1-CB 3.44Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.3Å; L191-M194 PolarHBondContact O-N 3.32Å; L191-M194 VanDerWaalsContact O-N 3.17Å; L191-Q195 HydrophobicContact CD1-CG 3.97Å; L191-Q195 WeakPolarHBondContact O-CG 3.44Å; L191-Q195 PolarHBondContact O-N 2.69Å |
| 192 | K | 88.3 | Confident | 84.4 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.9 | -39 | 175.7 | 179.6 | 179.6 | 180 | 177.8 | 0 | 111.5 | E186 D189 L196 | E186-K192 IonicContact OE1-NZ 3.6Å; E186-K192 PolarHBondContact OE1-NZ 3.28Å; D189-K192 HydrophobicContact CB-CB 3.81Å; D189-K192 HydrophobicContact CB-CD 4.35Å; D189-K192 WeakPolarHBondContact O-CB 3.18Å; D189-K192 PolarHBondContact O-N 3.01Å; D189-K192 VanDerWaalsContact O-N 3.15Å; D189-K192 PolarHBondContact OD1-N 2.89Å; D189-K192 VanDerWaalsContact OD2-CB 3.29Å; D189-K192 WeakPolarHBondContact OD2-CB 3.32Å; K192-L196 HydrophobicContact CG-CD1 4.04Å; K192-L196 WeakPolarHBondContact O-CB 3.44Å; K192-L196 WeakPolarHBondContact O-CD1 3.36Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 2.76Å |
| 193 | K | 88.8 | Confident | 84.6 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 173.1 | -61.6 | 172.3 | -162.9 | 161.1 | 0 | 111.8 | G187 D189 N190 L191 L196 M197 | G187-K193 WeakPolarHBondContact O-CE 3.44Å; G187-K193 PolarHBondContact O-NZ 3Å; D189-K193 PolarHBondContact O-N 3.39Å; D189-K193 VanDerWaalsContact O-N 3.11Å; N190-K193 WeakPolarHBondContact O-CB 3.29Å; N190-K193 PolarHBondContact O-N 3.28Å; N190-K193 PolarHBondContact OD1-NZ 3.48Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.3Å; K193-L196 PolarHBondContact O-N 3.02Å; K193-M197 WeakPolarHBondContact O-CB 3.41Å; K193-M197 PolarHBondContact O-N 2.9Å |
| 194 | M | 87.5 | Confident | 84.9 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 180 | -178 | -177.7 | 169.3 | 0 | 0 | 112.1 | M56 Y57 N190 L191 L196 M197 E198 | M56-M194 HydrophobicContact CB-CE 3.57Å; M56-M194 HydrophobicContact CB-SD 4.05Å; Y57-M194 HydrophobicContact CD2-CE 4.23Å; Y57-M194 HydrophobicContact CD2-SD 4.03Å; N190-M194 PolarHBondContact O-N 3.43Å; L191-M194 PolarHBondContact O-N 3.32Å; L191-M194 VanDerWaalsContact O-N 3.17Å; M194-L196 PolarHBondContact O-N 2.75Å; M194-M197 WeakPolarHBondContact O-CB 3.47Å; M194-M197 PolarHBondContact O-N 3.43Å; M194-E198 PolarHBondContact O-N 3.39Å |
| 195 | Q | 92.2 | Very high | 85.4 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.8 | -73.5 | -179.7 | -24.6 | 0 | 0 | 112.8 | R103 T111 L191 L199 | R103-Q195 PolarHBondContact O-NE2 2.65Å; T111-Q195 PolarHBondContact OG1-NE2 2.78Å; L191-Q195 HydrophobicContact CD1-CG 3.97Å; L191-Q195 WeakPolarHBondContact O-CG 3.44Å; L191-Q195 PolarHBondContact O-N 2.69Å; Q195-L199 VanDerWaalsContact O-CB 3.3Å; Q195-L199 WeakPolarHBondContact O-CB 3.34Å; Q195-L199 PolarHBondContact O-N 3.05Å |
| 196 | L | 91.3 | Very high | 85.9 | Confident | 103 Ų | 103 | 59 Ų | 59 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 176.5 | -71.8 | 171 | 0 | 0 | 0 | 112.2 | K192 K193 M194 L199 A200 | K192-L196 HydrophobicContact CG-CD1 4.04Å; K192-L196 WeakPolarHBondContact O-CB 3.44Å; K192-L196 WeakPolarHBondContact O-CD1 3.36Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 2.76Å; K193-L196 PolarHBondContact O-N 3.02Å; M194-L196 PolarHBondContact O-N 2.75Å; L196-L199 PolarHBondContact O-N 2.92Å; L196-A200 PolarHBondContact O-N 3.24Å |
| 197 | M | 89.9 | Confident | 86.6 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 22% | 0.222 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 172.6 | 170.5 | 167.3 | 75.2 | 0 | 0 | 111.5 | P15 M56 K193 M194 L199 A200 I201 Y206 | P15-M197 HydrophobicContact CB-CE 3.83Å; P15-M197 HydrophobicContact CB-SD 3.6Å; P15-M197 VanDerWaalsContact CB-SD 3.6Å; P15-M197 HydrophobicContact CG-SD 4.32Å; M56-M197 HydrophobicContact CE-CE 3.55Å; K193-M197 WeakPolarHBondContact O-CB 3.41Å; K193-M197 PolarHBondContact O-N 2.9Å; M194-M197 WeakPolarHBondContact O-CB 3.47Å; M194-M197 PolarHBondContact O-N 3.43Å; M197-L199 VanDerWaalsContact C-N 3.3Å; M197-L199 PolarHBondContact O-N 2.98Å; M197-A200 WeakPolarHBondContact O-CB 3.45Å; M197-A200 PolarHBondContact O-N 2.9Å; M197-A200 VanDerWaalsContact O-N 3.14Å; M197-I201 HydrophobicContact CG-CD1 4.14Å; M197-I201 WeakPolarHBondContact O-CG1 3.48Å; M197-I201 PolarHBondContact O-N 3.31Å; M197-Y206 HydrophobicContact CB-CE2 4.38Å; M197-Y206 HydrophobicContact CG-CD2 4.15Å; M197-Y206 HydrophobicContact CG-CE2 3.54Å; M197-Y206 HydrophobicContact SD-CE2 4.02Å |
| 198 | E | 89.9 | Confident | 86.6 | Confident | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -37 | 178 | -164.9 | -163.6 | 133.2 | 0 | 0 | 111.8 | M22 R53 P107 L110 M194 A200 I201 L202 | M22-E198 HydrophobicContact CE-CG 4.05Å; M22-E198 HydrophobicContact SD-CG 4.22Å; R53-E198 IonicContact CZ-OE1 3.35Å; R53-E198 VanDerWaalsContact CZ-OE1 3.23Å; R53-E198 IonicContact CZ-OE2 2.67Å; R53-E198 VanDerWaalsContact NE-CD 3.26Å; R53-E198 IonicContact NE-OE1 3.88Å; R53-E198 PolarHBondContact NE-OE1 3.23Å; R53-E198 VanDerWaalsContact NE-OE1 3.16Å; R53-E198 IonicContact NE-OE2 2.67Å; R53-E198 PolarHBondContact NE-OE2 3.25Å; R53-E198 IonicContact NH2-OE1 3.39Å; R53-E198 PolarHBondContact NH2-OE1 2.89Å; R53-E198 IonicContact NH2-OE2 3.16Å; P107-E198 HydrophobicContact CG-CB 4.15Å; P107-E198 HydrophobicContact CG-CG 4.3Å; L110-E198 VanDerWaalsContact CD1-OE1 3.3Å; L110-E198 WeakPolarHBondContact CD1-OE1 3.42Å; M194-E198 PolarHBondContact O-N 3.39Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 2.94Å; E198-I201 PolarHBondContact O-N 2.99Å; E198-L202 WeakPolarHBondContact O-CG 3.22Å; E198-L202 PolarHBondContact O-N 3.13Å |
| 199 | L | 92 | Very high | 85.8 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 174.1 | -174.7 | 59.7 | 0 | 0 | 0 | 112 | P107 Q195 L196 M197 L202 N203 | P107-L199 HydrophobicContact CB-CB 4.3Å; P107-L199 HydrophobicContact CB-CD1 4.45Å; Q195-L199 VanDerWaalsContact O-CB 3.3Å; Q195-L199 WeakPolarHBondContact O-CB 3.34Å; Q195-L199 PolarHBondContact O-N 3.05Å; L196-L199 PolarHBondContact O-N 2.92Å; M197-L199 VanDerWaalsContact C-N 3.3Å; M197-L199 PolarHBondContact O-N 2.98Å; L199-L202 PolarHBondContact O-N 2.99Å; L199-N203 WeakPolarHBondContact O-CB 3.41Å; L199-N203 PolarHBondContact O-N 3.35Å; L199-N203 PolarHBondContact O-ND2 3.36Å |
| 200 | A | 91.3 | Very high | 84.3 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 17% | 0.165 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L196 M197 E198 N203 G204 T205 Y206 | L196-A200 PolarHBondContact O-N 3.24Å; M197-A200 WeakPolarHBondContact O-CB 3.45Å; M197-A200 PolarHBondContact O-N 2.9Å; M197-A200 VanDerWaalsContact O-N 3.14Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 2.94Å; A200-N203 PolarHBondContact O-N 3.49Å; A200-G204 PolarHBondContact O-N 3.2Å; A200-T205 PolarHBondContact O-N 3.37Å; A200-Y206 HydrophobicContact CB-CD2 4.16Å; A200-Y206 PolarHBondContact O-N 3.37Å; A200-Y206 VanDerWaalsContact O-N 3.17Å |
| 201 | I | 89.4 | Confident | 82.7 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.015 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 174.3 | -69.1 | 167.4 | 0 | 0 | 0 | 111.1 | M19 M22 K26 M197 E198 N203 G204 Y206 | M19-I201 HydrophobicContact CB-CD1 4.11Å; M19-I201 HydrophobicContact CB-CG1 4.22Å; M19-I201 HydrophobicContact CB-CG2 3.93Å; M19-I201 HydrophobicContact CG-CG2 4.08Å; M22-I201 HydrophobicContact CB-CG2 4.36Å; M22-I201 HydrophobicContact CE-CG2 4.11Å; M22-I201 HydrophobicContact SD-CG2 4.06Å; K26-I201 PolarHBondContact NZ-O 3.02Å; M197-I201 HydrophobicContact CG-CD1 4.14Å; M197-I201 WeakPolarHBondContact O-CG1 3.48Å; M197-I201 PolarHBondContact O-N 3.31Å; E198-I201 PolarHBondContact O-N 2.99Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 3.41Å; I201-G204 PolarHBondContact O-N 3.36Å; I201-Y206 HydrophobicContact CD1-CD1 4.43Å; I201-Y206 HydrophobicContact CD1-CG 4.44Å; I201-Y206 HydrophobicContact CG1-CD1 3.94Å; I201-Y206 HydrophobicContact CG1-CD2 4.15Å; I201-Y206 HydrophobicContact CG1-CG 3.67Å |
| 202 | L | 88.3 | Confident | 80.8 | Confident | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.12 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 174.1 | -78.2 | 167.8 | 0 | 0 | 0 | 111.9 | M22 P107 R108 L110 E198 L199 G204 | M22-L202 HydrophobicContact CE-CD1 4.46Å; M22-L202 HydrophobicContact CE-CD2 3.36Å; M22-L202 HydrophobicContact CE-CG 3.54Å; P107-L202 HydrophobicContact CB-CD1 3.77Å; R108-L202 HydrophobicContact CG-CD1 4.1Å; L110-L202 HydrophobicContact CD1-CD1 4.47Å; E198-L202 WeakPolarHBondContact O-CG 3.22Å; E198-L202 PolarHBondContact O-N 3.13Å; L199-L202 PolarHBondContact O-N 2.99Å; L202-G204 VanDerWaalsContact C-N 3.33Å |
| 203 | N | 90 | Very high | 78.3 | Confident | 100 Ų | 100 | 77 Ų | 77 | 54% | 0.535 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -79.8 | -9.8 | -178.3 | -65.9 | -16.3 | 0 | 0 | 0 | 113.8 | L199 A200 I201 T205 | L199-N203 WeakPolarHBondContact O-CB 3.41Å; L199-N203 PolarHBondContact O-N 3.35Å; L199-N203 PolarHBondContact O-ND2 3.36Å; A200-N203 PolarHBondContact O-N 3.49Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 3.41Å; N203-T205 VanDerWaalsContact C-N 3.26Å; N203-T205 HydrophobicContact CB-CG2 4.23Å; N203-T205 PolarHBondContact O-N 3.15Å |
| 204 | G | 86.3 | Confident | 76.1 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 18.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A200 I201 L202 | A200-G204 PolarHBondContact O-N 3.2Å; I201-G204 PolarHBondContact O-N 3.36Å; L202-G204 VanDerWaalsContact C-N 3.33Å |
| 205 | T | 88.8 | Confident | 74.4 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | trans | -105.1 | 2.3 | 179.5 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | A200 N203 | A200-T205 PolarHBondContact O-N 3.37Å; N203-T205 VanDerWaalsContact C-N 3.26Å; N203-T205 HydrophobicContact CB-CG2 4.23Å; N203-T205 PolarHBondContact O-N 3.15Å | ||
| 206 | Y | 84.8 | Confident | 72 | Confident | 51 Ų | 51 | 85.6 Ų | 85.6 | 20% | 0.2 | 49% | 0.489 | C | S | . | . | trans | -64.1 | 145.9 | 174 | -169.9 | -112.2 | 0 | 0 | 0 | 111 | M19 M197 A200 I201 D208 | M19-Y206 HydrophobicContact CE-CD1 4.17Å; M19-Y206 HydrophobicContact SD-CD1 3.97Å; M197-Y206 HydrophobicContact CB-CE2 4.38Å; M197-Y206 HydrophobicContact CG-CD2 4.15Å; M197-Y206 HydrophobicContact CG-CE2 3.54Å; M197-Y206 HydrophobicContact SD-CE2 4.02Å; A200-Y206 HydrophobicContact CB-CD2 4.16Å; A200-Y206 PolarHBondContact O-N 3.37Å; A200-Y206 VanDerWaalsContact O-N 3.17Å; I201-Y206 HydrophobicContact CD1-CD1 4.43Å; I201-Y206 HydrophobicContact CD1-CG 4.44Å; I201-Y206 HydrophobicContact CG1-CD1 3.94Å; I201-Y206 HydrophobicContact CG1-CD2 4.15Å; I201-Y206 HydrophobicContact CG1-CG 3.67Å; Y206-D208 VanDerWaalsContact CE1-OD1 3.25Å; Y206-D208 WeakPolarHBondContact CE1-OD1 3.49Å | ||
| 207 | R | 78.6 | Confident | 69.7 | Low | 224 Ų | 224 | 85.4 Ų | 85.4 | 85% | 0.845 | 50% | 0.503 | S | S | * | . | trans | -144.3 | 128.3 | 172.6 | -66.3 | -174.3 | 178.4 | -171.7 | -1.5 | 107.4 | A209 | R207-A209 PolarHBondContact O-N 2.71Š| ||
| 208 | D | 67.9 | Low | 67.5 | Low | 58 Ų | 58 | 92.2 Ų | 92.2 | 31% | 0.31 | 53% | 0.532 | S | S | . | . | trans | -68.5 | 117.5 | -170 | -37.4 | -34.8 | 0 | 0 | 0 | 110.1 | Y206 N210 V211 | Y206-D208 VanDerWaalsContact CE1-OD1 3.25Å; Y206-D208 WeakPolarHBondContact CE1-OD1 3.49Å; D208-N210 PolarHBondContact O-N 3.24Å; D208-V211 HydrophobicContact CB-CB 4.37Å; D208-V211 HydrophobicContact CB-CG2 3.76Å; D208-V211 PolarHBondContact O-N 3.36Å; D208-V211 VanDerWaalsContact O-N 3.16Å; D208-V211 WeakPolarHBondContact OD2-CG2 3.16Å | ||
| 209 | A | 60.5 | Low | 65.3 | Low | 109 Ų | 109 | 97.5 Ų | 97.5 | 90% | 0.901 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -9.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R207 | R207-A209 PolarHBondContact O-N 2.71Š|
| 210 | N | 52.3 | Low | 62.8 | Low | 139 Ų | 139 | 102.6 Ų | 102.6 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -4.3 | -179.5 | -164.3 | 32.5 | 0 | 0 | 0 | 113.7 | D208 K212 | D208-N210 PolarHBondContact O-N 3.24Å; N210-K212 VanDerWaalsContact C-N 3.3Å; N210-K212 PolarHBondContact O-N 3.39Å |
| 211 | V | 52.2 | Low | 60.2 | Low | 86 Ų | 86 | 106 Ų | 106 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | trans | -75 | 88.3 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 109.5 | D208 T213 | D208-V211 HydrophobicContact CB-CB 4.37Å; D208-V211 HydrophobicContact CB-CG2 3.76Å; D208-V211 PolarHBondContact O-N 3.36Å; D208-V211 VanDerWaalsContact O-N 3.16Å; D208-V211 WeakPolarHBondContact OD2-CG2 3.16Å; V211-T213 VanDerWaalsContact C-N 3.26Å; V211-T213 HydrophobicContact CG1-CG2 3.9Å; V211-T213 PolarHBondContact O-N 3.04Å | ||
| 212 | K | 45.8 | Very low | 58.1 | Low | 191 Ų | 191 | 112.2 Ų | 112.2 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | trans | -64.1 | 90.7 | 157 | -67 | 178.4 | -176.1 | 174.2 | 0 | 107.4 | N210 P214 | N210-K212 VanDerWaalsContact C-N 3.3Å; N210-K212 PolarHBondContact O-N 3.39Å; K212-P214 WeakPolarHBondContact O-CD 3.28Å | ||
| 213 | T | 35.8 | Very low | 56.2 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | trans | -56.8 | 121.7 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | V211 T215 | V211-T213 VanDerWaalsContact C-N 3.26Å; V211-T213 HydrophobicContact CG1-CG2 3.9Å; V211-T213 PolarHBondContact O-N 3.04Å; T213-T215 PolarHBondContact O-N 3.39Å | ||
| 214 | P | 44.4 | Very low | 53.9 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | -69.1 | 104.7 | 164.3 | 28.5 | -31.1 | 0 | 0 | 0 | 107.7 | K212 A216 | K212-P214 WeakPolarHBondContact O-CD 3.28Å; P214-A216 VanDerWaalsContact C-N 3.25Å; P214-A216 PolarHBondContact O-N 2.91Å | ||
| 215 | T | 50.1 | Low | 51.8 | Low | 136 Ų | 136 | 122 Ų | 122 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | -69.9 | 83 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | T213 | T213-T215 PolarHBondContact O-N 3.39Š| ||
| 216 | A | 43.1 | Very low | 50 | Low | 64 Ų | 64 | 123.7 Ų | 123.7 | 53% | 0.529 | 72% | 0.722 | S | S | . | * | trans | -132.4 | 41.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P214 F218 | P214-A216 VanDerWaalsContact C-N 3.25Å; P214-A216 PolarHBondContact O-N 2.91Å; A216-F218 HydrophobicContact CB-CD2 4.42Å; A216-F218 HydrophobicContact CB-CE2 4.38Å; A216-F218 PolarHBondContact O-N 3.34Å | ||
| 217 | A | 42.7 | Very low | 48.1 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -72 | 79.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P219 | A217-P219 VanDerWaalsContact O-CD 3.24Å; A217-P219 WeakPolarHBondContact O-CD 3.38Å | ||
| 218 | F | 42.6 | Very low | 46.3 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -75 | 114.6 | 169.4 | -78.2 | -89 | 0 | 0 | 0 | 109.8 | A216 L220 | A216-F218 HydrophobicContact CB-CD2 4.42Å; A216-F218 HydrophobicContact CB-CE2 4.38Å; A216-F218 PolarHBondContact O-N 3.34Å; F218-L220 PolarHBondContact O-N 3.05Å | ||
| 219 | P | 45.3 | Very low | 45.1 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -73.2 | 111 | 167.5 | 30.1 | -31.8 | 0 | 0 | 0 | 108.9 | A217 A221 | A217-P219 VanDerWaalsContact O-CD 3.24Å; A217-P219 WeakPolarHBondContact O-CD 3.38Å; P219-A221 PolarHBondContact O-N 3.16Å; P219-A221 VanDerWaalsContact O-N 3.15Å | ||
| 220 | L | 37.9 | Very low | 43.9 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -67.8 | 111.6 | 174.7 | -178.4 | 62.3 | 0 | 0 | 0 | 109.4 | F218 | F218-L220 PolarHBondContact O-N 3.05Š| ||
| 221 | A | 38.4 | Very low | 43.3 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -78.2 | 137.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P219 | P219-A221 PolarHBondContact O-N 3.16Å; P219-A221 VanDerWaalsContact O-N 3.15Å | ||
| 222 | T | 44.4 | Very low | 43.2 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | -109.6 | 141.6 | 165.1 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 223 | P | 49.2 | Very low | 42.9 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -97.3 | 139.9 | -168.6 | 34.9 | -34.3 | 0 | 0 | 0 | 115.4 | ||||
| 224 | Q | 40.4 | Very low | 43.6 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 67.6 | 149.6 | 153.2 | -63 | 178 | 13.5 | 0 | 0 | 117.8 | ||||
| 225 | A | 43.2 | Very low | 43.5 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | -171.4 | -177.7 | -15.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 226 | P | 51.6 | Low | 43 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | cis | -123.9 | -154.9 | -7.2 | 39 | -19.4 | 0 | 0 | 0 | 113.8 | ||||
| 227 | R | 44.7 | Very low | 43.3 | Very low | 217 Ų | 217 | 134.3 Ų | 134.3 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | -113.8 | 153.9 | -163.1 | -57.2 | 173.2 | 173.4 | 178.2 | -3.8 | 116.8 | I229 | R227-I229 HydrophobicContact CB-CD1 4.09Å; R227-I229 HydrophobicContact CB-CG1 4.36Å | ||
| 228 | I | 39.9 | Very low | 44.3 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -146.3 | 134.4 | 149.4 | -63.2 | -173.1 | 0 | 0 | 0 | 107.1 | ||||
| 229 | I | 43.8 | Very low | 44 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | cis | 95.6 | 106.9 | 9.7 | -56.1 | 171.8 | 0 | 0 | 0 | 113.7 | R227 | R227-I229 HydrophobicContact CB-CD1 4.09Å; R227-I229 HydrophobicContact CB-CG1 4.36Å | ||
| 230 | T | 34.4 | Very low | 43.7 | Very low | 141 Ų | 141 | 135 Ų | 135 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | cis | -162.9 | 165.3 | 1 | -6.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 231 | G | 38.6 | Very low | 43.6 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 165.7 | 148.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 232 | P | 50.7 | Low | 43.5 | Very low | 132 Ų | 132 | 141 Ų | 141 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -117.4 | 178 | -168.7 | 42.8 | -33.6 | 0 | 0 | 0 | 117.8 | ||||
| 233 | T | 39.5 | Very low | 43.9 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -80.6 | 158.8 | 178.9 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 234 | P | 51.3 | Low | 43.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -145.4 | 146.2 | 91.7 | 25.8 | -3 | 0 | 0 | 0 | 115.6 | |||||
| 235 | V | 41.3 | Very low | 43.7 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | 79.4 | 99.1 | 78 | -176 | 0 | 0 | 0 | 0 | 118 | |||||
| 236 | L | 39.3 | Very low | 43.4 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | 55 | 174 | 148 | -64.7 | 175.5 | 0 | 0 | 0 | 119.8 | ||||
| 237 | P | 50.6 | Low | 42.7 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -127.2 | -169.4 | 0.6 | 45 | -28.1 | 0 | 0 | 0 | 114.8 | ||||
| 238 | P | 63.1 | Low | 42.7 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -109.8 | 162.5 | -172.9 | 39.9 | -32.5 | 0 | 0 | 0 | 116.8 | ||||
| 239 | T | 36.7 | Very low | 43.3 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | trans | -143.4 | 172 | 175.2 | 47 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 240 | L | 38.3 | Very low | 43 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -106.1 | 161.3 | -160.8 | -117.7 | 83.6 | 0 | 0 | 0 | 116 | ||||
| 241 | R | 36.3 | Very low | 43.4 | Very low | 235 Ų | 235 | 130.7 Ų | 130.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | 89.2 | 146 | 142.1 | -105.5 | 172.5 | 179.6 | 164.4 | -0.8 | 123.1 | ||||
| 242 | N | 37.1 | Very low | 43.6 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -71.7 | 177.3 | 168.1 | -126.5 | 28.4 | 0 | 0 | 0 | 111.9 | ||||
| 243 | P | 51.1 | Low | 43.5 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -137.5 | -166.1 | 13 | 42.2 | -22 | 0 | 0 | 0 | 116.1 | ||||
| 244 | A | 41.3 | Very low | 43.4 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 172.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 245 | P | 46 | Very low | 43.2 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -144.7 | 173.7 | 107.2 | 40 | -25.9 | 0 | 0 | 0 | 117.8 | |||||
| 246 | V | 36.9 | Very low | 43.2 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -61.8 | 149.1 | -177.3 | -161.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 247 | T | 35.5 | Very low | 43.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | 171.9 | 106.9 | 110.7 | 43.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 248 | T | 44.4 | Very low | 42.7 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 68.8 | 179.7 | 139.4 | 75.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 249 | P | 52.9 | Low | 41.5 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | -131.1 | -172.3 | -109.6 | 35.6 | -12.8 | 0 | 0 | 0 | 115.2 | |||||
| 250 | T | 37.4 | Very low | 41.5 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 159.3 | 142.4 | 137.4 | -72.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 251 | I | 44.1 | Very low | 41.4 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | 70.8 | 102.9 | 160.2 | -77.6 | 165.5 | 0 | 0 | 0 | 122.2 | ||||
| 252 | M | 42.2 | Very low | 41.3 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | 59.5 | 158.1 | 128.9 | -68.8 | -107.9 | 108.1 | 0 | 0 | 124.4 | |||||
| 253 | P | 47.4 | Very low | 41.3 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -117.5 | 176.8 | -166.9 | 43.9 | -32.6 | 0 | 0 | 0 | 115.4 | ||||
| 254 | L | 37.9 | Very low | 40.7 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -135.8 | 115.8 | 159.1 | -175.5 | 61.3 | 0 | 0 | 0 | 111.4 | ||||
| 255 | I | 46.7 | Very low | 40.7 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 135.6 | 172.4 | -72.5 | 168.2 | 0 | 0 | 0 | 108.8 | ||
| 256 | R | 41 | Very low | 39.9 | Very low | 243 Ų | 243 | 140.3 Ų | 140.3 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 120.6 | 176.7 | -156.5 | 174.4 | -168.6 | 176.5 | 3.2 | 109.7 | ||
| 257 | Q | 40.2 | Very low | 39.6 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 149.2 | -175.1 | -70.6 | 178.1 | -84.1 | 0 | 0 | 113.3 | ||
| 258 | I | 40.4 | Very low | 39.6 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 141.4 | 160.9 | -60.1 | 166.6 | 0 | 0 | 0 | 107.1 | ||
| 259 | Q | 38.4 | Very low | 39.4 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -115.3 | 123.4 | 164.4 | -76.8 | -169.8 | -15.4 | 0 | 0 | 110.1 | ||||
| 260 | S | 35.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -135.2 | 106.9 | 173.1 | 55.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 261 | S | 36.3 | Very low | 38.7 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | trans | -105.5 | 130.4 | 179.4 | 40.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 262 | A | 34.6 | Very low | 38.1 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -140.6 | 129.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 263 | L | 36.9 | Very low | 37.6 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -156.8 | 121.1 | 169.3 | -105.9 | 152.8 | 0 | 0 | 0 | 109.4 | ||||
| 264 | V | 40.1 | Very low | 36.8 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -97.8 | 171.6 | 166.6 | -85.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 265 | P | 41.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | cis | -139.5 | 157.2 | 16.6 | 39.5 | -20.3 | 0 | 0 | 0 | 118.9 | ||||
| 266 | G | 29.2 | Very low | 35.6 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | 58.8 | 110.3 | 126.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 267 | A | 29.7 | Very low | 35 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -158.3 | 138.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 268 | N | 34.7 | Very low | 35.5 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -92.9 | 145.3 | 159.2 | -91.1 | 8.6 | 0 | 0 | 0 | 107.5 | ||||
| 269 | P | 41 | Very low | 35 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | -148.3 | 166.9 | 84 | 40.3 | -23.5 | 0 | 0 | 0 | 116.4 | |||||
| 270 | H | 33.2 | Very low | 34.8 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -73.5 | 157.6 | 157.4 | -77.8 | -85.4 | 0 | 0 | 0 | 110.5 | ||||
| 271 | P | 42.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | -130.6 | 179.1 | 98.5 | 36.3 | -27.5 | 0 | 0 | 0 | 113.2 | |||||
| 272 | A | 31.7 | Very low | 34.8 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -112.7 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 273 | L | 30.3 | Very low | 34.8 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 166 | 136.2 | 135.3 | -89.3 | 162.3 | 0 | 0 | 0 | 111.3 | ||||
| 274 | V | 31.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 59 | 151.6 | 138.2 | 169.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 275 | Q | 30.1 | Very low | 34.5 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | cis | -175.8 | 173.3 | -31.9 | -166.9 | 173.9 | -10.4 | 0 | 0 | 106.6 | ||||
| 276 | Q | 29.1 | Very low | 34.4 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 81.5 | 136.2 | 162.4 | -55.4 | 179.6 | -20.2 | 0 | 0 | 119.1 | ||||
| 277 | G | 28.2 | Very low | 34.6 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -116.4 | -146.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 278 | P | 51.3 | Low | 34.7 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -130.2 | -117.6 | 6.3 | 39.4 | -17.9 | 0 | 0 | 0 | 112.8 | ||||
| 279 | E | 31.1 | Very low | 34.9 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | trans | 73.7 | 112.5 | -172.7 | -55.2 | -47.1 | 113.6 | 0 | 0 | 115.7 | ||||
| 280 | S | 34.3 | Very low | 34.9 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | 100.6 | 140.8 | 43 | 73.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 281 | G | 33 | Very low | 35.1 | Very low | 65 Ų | 65 | 144.4 Ų | 144.4 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 172.6 | 138.3 | -13.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 282 | I | 38.2 | Very low | 35.1 | Very low | 167 Ų | 167 | 144 Ų | 144 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -147.3 | 111 | 167.4 | -60.3 | -177.7 | 0 | 0 | 0 | 105.6 | ||||
| 283 | I | 34.1 | Very low | 35.5 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 69.5 | 87.5 | 60 | -52.8 | -178.7 | 0 | 0 | 0 | 113.9 | |||||
| 284 | Y | 34.4 | Very low | 35.9 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -143 | 148.6 | 135.9 | -146.5 | -94.5 | 0 | 0 | 0 | 109.2 | ||||
| 285 | T | 35.4 | Very low | 36.3 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -94.9 | 158.7 | -166.8 | 33.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 286 | P | 40.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -82.5 | 162.6 | -171.9 | 34.3 | -37.1 | 0 | 0 | 0 | 113.4 | ||||
| 287 | Y | 33 | Very low | 36.8 | Very low | 205 Ų | 205 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -104.2 | 123.6 | 162 | -157.4 | -85.6 | 0 | 0 | 0 | 108.9 | Y289 | Y287-Y289 AromaticContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CE2 4.17Å; Y287-Y289 AromaticContact CE1-CD2 3.95Å; Y287-Y289 HydrophobicContact CE1-CD2 3.95Å; Y287-Y289 AromaticContact CE1-CE2 3.79Å; Y287-Y289 HydrophobicContact CE1-CE2 3.79Å | ||
| 288 | E | 31.8 | Very low | 37.3 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -99.5 | 120.8 | -169.7 | -169.1 | 171.1 | 175.3 | 0 | 0 | 110.6 | ||||
| 289 | Y | 37.6 | Very low | 36.4 | Very low | 206 Ų | 206 | 150.8 Ų | 150.8 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -118.3 | 105.9 | 179.3 | -117.3 | -75.4 | 0 | 0 | 0 | 110.4 | Y287 Y291 | Y287-Y289 AromaticContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CE2 4.17Å; Y287-Y289 AromaticContact CE1-CD2 3.95Å; Y287-Y289 HydrophobicContact CE1-CD2 3.95Å; Y287-Y289 AromaticContact CE1-CE2 3.79Å; Y287-Y289 HydrophobicContact CE1-CE2 3.79Å; Y289-Y291 PolarHBondContact O-N 3.26Å | ||
| 290 | P | 42.8 | Very low | 36.6 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | -88.8 | 104.9 | -178.7 | 32.7 | -31.9 | 0 | 0 | 0 | 111.3 | ||||
| 291 | Y | 36 | Very low | 36.8 | Very low | 229 Ų | 229 | 154 Ų | 154 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -147 | 129.9 | 149.3 | -117 | -77.3 | 0 | 0 | 0 | 111.1 | Y289 | Y289-Y291 PolarHBondContact O-N 3.26Š| ||
| 292 | T | 43.8 | Very low | 36.9 | Very low | 120 Ų | 120 | 159 Ų | 159 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -85.7 | 150 | -175.8 | 41.8 | 0 | 0 | 0 | 0 | 112.2 | T294 | T292-T294 PolarHBondContact O-N 3.06Š| ||
| 293 | L | 40.1 | Very low | 36.5 | Very low | 178 Ų | 178 | 158.1 Ų | 158.1 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 121.7 | 173.2 | -69 | 166.1 | 0 | 0 | 0 | 110.4 | ||||
| 294 | T | 37.3 | Very low | 36.5 | Very low | 113 Ų | 113 | 156.1 Ų | 156.1 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | -127.7 | 122.3 | 164.7 | 51.3 | 0 | 0 | 0 | 0 | 109.9 | T292 S296 | T292-T294 PolarHBondContact O-N 3.06Å; T294-S296 PolarHBondContact O-N 3.17Å | ||
| 295 | P | 40.1 | Very low | 36.4 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -79.9 | 108.4 | 174 | 30.4 | -31.3 | 0 | 0 | 0 | 109.9 | I297 | P295-I297 PolarHBondContact O-N 2.97Å; P295-I297 VanDerWaalsContact O-N 3.12Å | ||
| 296 | S | 33.6 | Very low | 36.3 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -74 | 98 | 172.1 | -64.6 | 0 | 0 | 0 | 0 | 111 | T294 | T294-S296 PolarHBondContact O-N 3.17Š| ||
| 297 | I | 36.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -87.7 | 123.6 | 156.5 | -68.7 | 178.5 | 0 | 0 | 0 | 107.4 | P295 | P295-I297 PolarHBondContact O-N 2.97Å; P295-I297 VanDerWaalsContact O-N 3.12Å | ||
| 298 | L | 37.4 | Very low | 35.7 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -110 | 96.6 | 178.3 | 177.5 | 72.9 | 0 | 0 | 0 | 108.5 | ||||
| 299 | E | 32.3 | Very low | 35.8 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -145.6 | 158.1 | 170.4 | -142.3 | 164.4 | 162.6 | 0 | 0 | 111.8 | ||||
| 300 | Y | 36.4 | Very low | 36.3 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84 | 152.7 | -156.7 | -81 | -107.5 | 0 | 0 | 0 | 114.3 | ||
| 301 | P | 38.7 | Very low | 35.6 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 133.3 | 164.7 | 30.5 | -33.7 | 0 | 0 | 0 | 110.4 | ||
| 302 | I | 34.5 | Very low | 36.2 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 120.2 | 168.1 | -62.5 | 174.6 | 0 | 0 | 0 | 107.1 | ||
| 303 | D | 30.6 | Very low | 35.5 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -118 | 154.4 | 177.1 | -128.8 | -39.1 | 0 | 0 | 0 | 113 | ||||
| 304 | S | 33.4 | Very low | 35.1 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -60.6 | 134.1 | -161.6 | -58.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 305 | S | 32.6 | Very low | 34.6 | Very low | 127 Ų | 127 | 139 Ų | 139 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | -174.7 | 141.1 | 122.8 | 38.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 306 | G | 32 | Very low | 34.2 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -119.9 | 132.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 307 | V | 32.3 | Very low | 34.1 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -149.4 | 123.5 | 159 | 147.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 308 | L | 30.9 | Very low | 33.7 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -141.3 | 116.4 | 163 | -83.6 | 179 | 0 | 0 | 0 | 108.9 | ||||
| 309 | V | 32.6 | Very low | 33.5 | Very low | 128 Ų | 128 | 130 Ų | 130 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -98.6 | 135.1 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 310 | P | 47.3 | Very low | 33.5 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -82.6 | 169.6 | -171.8 | 33 | -36.8 | 0 | 0 | 0 | 113.9 | ||||
| 311 | S | 29.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -144.1 | 150.7 | 159.3 | -75.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 312 | P | 47.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -129 | 139.1 | -151.5 | 36.6 | -18.7 | 0 | 0 | 0 | 117.1 | ||||
| 313 | C | 28.9 | Very low | 33.4 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -165.3 | 85.4 | 160.5 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 314 | V | 31.7 | Very low | 33.7 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | 58.2 | 94.8 | 80.4 | -171 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 315 | F | 27.3 | Very low | 33.6 | Very low | 197 Ų | 197 | 135.7 Ų | 135.7 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | -173.5 | 152 | 112.7 | -117.3 | -76.9 | 0 | 0 | 0 | 114.5 | |||||
| 316 | A | 31.6 | Very low | 33.9 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | 65.9 | 148 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 317 | A | 31.2 | Very low | 34.1 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -127.9 | 151.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 318 | G | 29.1 | Very low | 34.4 | Very low | 79 Ų | 79 | 147.3 Ų | 147.3 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | -161.4 | 120.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 319 | A | 32.3 | Very low | 34.8 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -46.4 | 132.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 320 | M | 33.9 | Very low | 35.2 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 86% | 0.862 | 84% | 0.835 | S | S | * | * | trans | -16.6 | 128.4 | 144.6 | 60.6 | -151 | 163.8 | 0 | 0 | 118.2 | ||||
| 321 | T | 36.5 | Very low | 35.5 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -146.8 | 145.7 | 130.4 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 322 | T | 35.4 | Very low | 36.2 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | trans | -106.2 | 141.2 | 174.3 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 323 | K | 34.2 | Very low | 36.3 | Very low | 209 Ų | 209 | 155.7 Ų | 155.7 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -144.4 | 98.3 | 170.9 | -129.6 | 173.1 | -172.1 | 173.8 | 0 | 112.2 | R325 | K323-R325 PolarHBondContact O-N 3.43Š| ||
| 324 | V | 36.5 | Very low | 36.9 | Very low | 137 Ų | 137 | 160.5 Ų | 160.5 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 121.3 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 325 | R | 32.8 | Very low | 37.5 | Very low | 242 Ų | 242 | 162.8 Ų | 162.8 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 120.6 | 172.1 | -165.4 | 169.4 | -174.7 | 138.7 | 1.1 | 109.2 | K323 | K323-R325 PolarHBondContact O-N 3.43Š|
| 326 | R | 38.3 | Very low | 38.2 | Very low | 231 Ų | 231 | 164.8 Ų | 164.8 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 152.5 | -177.5 | -68.4 | 178 | 173.3 | 170.6 | -3.3 | 111.6 | D328 | R326-D328 PolarHBondContact O-N 2.94Š|
| 327 | H | 35.8 | Very low | 39 | Very low | 192 Ų | 192 | 166.2 Ų | 166.2 | 89% | 0.889 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132.5 | 163.4 | -87.8 | -67.8 | 0 | 0 | 0 | 110.5 | ||
| 328 | D | 37.9 | Very low | 39.5 | Very low | 158 Ų | 158 | 166.9 Ų | 166.9 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 144.5 | 167 | -145.8 | -38.4 | 0 | 0 | 0 | 110.1 | R326 | R326-D328 PolarHBondContact O-N 2.94Š|
| 329 | K | 40.6 | Very low | 40.2 | Very low | 180 Ų | 180 | 168.9 Ų | 168.9 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -104 | 111.9 | -173.6 | -73.9 | -171.2 | 177.7 | -176.2 | 0 | 110.3 | I331 | K329-I331 WeakPolarHBondContact O-CG1 3.09Å; K329-I331 PolarHBondContact O-N 3.16Å; K329-I331 VanDerWaalsContact O-N 3.13Å | ||
| 330 | R | 41.2 | Very low | 40.6 | Very low | 234 Ų | 234 | 171 Ų | 171 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -60.8 | 110.6 | 178.9 | -169.7 | -174.4 | -65.1 | -173.5 | -0.2 | 111.1 | ||||
| 331 | I | 52.4 | Low | 40.7 | Very low | 146 Ų | 146 | 169.9 Ų | 169.9 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | trans | -87.1 | 138.8 | 177.5 | -51.4 | -179.2 | 0 | 0 | 0 | 109.6 | K329 | K329-I331 WeakPolarHBondContact O-CG1 3.09Å; K329-I331 PolarHBondContact O-N 3.16Å; K329-I331 VanDerWaalsContact O-N 3.13Å | ||
| 332 | H | 44.1 | Very low | 40.8 | Very low | 150 Ų | 150 | 174.4 Ų | 174.4 | 69% | 0.694 | 83% | 0.826 | S | S | * | * | trans | -87.9 | 150 | 178.2 | -92.9 | -104.5 | 0 | 0 | 0 | 112.7 | Y334 | H332-Y334 VanDerWaalsContact C-N 3.25Å; H332-Y334 PolarHBondContact O-N 3.12Å | ||
| 333 | P | 50.4 | Low | 41 | Very low | 115 Ų | 115 | 172 Ų | 172 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 18.1 | -163.1 | 32.6 | -38.6 | 0 | 0 | 0 | 116.5 | ||
| 334 | Y | 40.8 | Very low | 41.4 | Very low | 225 Ų | 225 | 167 Ų | 167 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 36.1 | -173.6 | -86.4 | -71.2 | 0 | 0 | 0 | 114.6 | H332 | H332-Y334 VanDerWaalsContact C-N 3.25Å; H332-Y334 PolarHBondContact O-N 3.12Å |
| 335 | Q | 44.3 | Very low | 41.7 | Very low | 167 Ų | 167 | 167.1 Ų | 167.1 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -104.4 | 107 | 172.1 | -163.2 | 132.6 | 9.6 | 0 | 0 | 110.8 | V337 | Q335-V337 PolarHBondContact O-N 3.33Š| ||
| 336 | R | 43.3 | Very low | 42.1 | Very low | 238 Ų | 238 | 159.2 Ų | 159.2 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -64.9 | 127.1 | 172.5 | -85.5 | -174.5 | 173.7 | 176.4 | -1.8 | 109.9 | ||||
| 337 | V | 48 | Very low | 42.7 | Very low | 128 Ų | 128 | 155 Ų | 155 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -73.8 | 127.1 | 163.7 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | Q335 T339 | Q335-V337 PolarHBondContact O-N 3.33Å; V337-T339 HydrophobicContact CG1-CG2 4.03Å | ||
| 338 | V | 41.6 | Very low | 42.6 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -100.9 | 96.4 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | T340 | V338-T340 PolarHBondContact O-N 3.43Š| ||
| 339 | T | 44 | Very low | 43.9 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -80.6 | 104 | 172.8 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | V337 D341 | V337-T339 HydrophobicContact CG1-CG2 4.03Å; T339-D341 PolarHBondContact O-N 3.44Å | ||
| 340 | T | 41.3 | Very low | 44.1 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -80.9 | 102.4 | 167.1 | 51 | 0 | 0 | 0 | 0 | 109.3 | V338 | V338-T340 PolarHBondContact O-N 3.43Š| ||
| 341 | D | 35.5 | Very low | 44.2 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -130.5 | 131.7 | 168.8 | -151.2 | -31.8 | 0 | 0 | 0 | 109.6 | T339 | T339-D341 PolarHBondContact O-N 3.44Š| ||
| 342 | R | 37.4 | Very low | 43.7 | Very low | 238 Ų | 238 | 148.4 Ų | 148.4 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -144.9 | 80.6 | -174.4 | -171.3 | 179.1 | 168.2 | 147.4 | -0.4 | 111.5 | ||||
| 343 | A | 40.3 | Very low | 43.7 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | 47.9 | 116.2 | 136 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 344 | A | 41.8 | Very low | 43.3 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -126.4 | 124.2 | 145 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 345 | T | 44.3 | Very low | 43.5 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | trans | -73.2 | 169.2 | 168.2 | 45 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 346 | A | 41.6 | Very low | 43.4 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 64% | 0.636 | 83% | 0.83 | S | S | * | * | cis | -163.9 | 164.8 | 31.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 347 | T | 50.8 | Low | 43.4 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | 68.7 | 138.9 | 145.7 | 42.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 348 | N | 33.9 | Very low | 43 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | trans | -91.8 | -165.8 | 173.6 | -128.9 | 53.7 | 0 | 0 | 0 | 109.4 | ||||
| 349 | P | 64.1 | Low | 43.2 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 100% | 1.175 | 84% | 0.836 | S | S | * | * | cis | -94.9 | 0 | 27.7 | 37.6 | -38 | 0 | 0 | 0 | 116.5 |
Retrieved 349 of 349 residues in 1727.2 ms
(Link to these results)