| 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 | 25.5 | Very low | 30.4 | Very low | 234 Ų | 234 | 122 Ų | 122 | 100% | 1.153 | 71% | 0.712 | S | S | * | * | 0 | 88.7 | 0 | -77.9 | -61.2 | -168.9 | 0 | 0 | 108.4 | |||||
| 2 | P | 27.6 | Very low | 32.2 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 51% | 0.506 | 68% | 0.675 | S | S | . | * | trans | -79.6 | 130.3 | 171.1 | -10 | 28.8 | 0 | 0 | 0 | 109.8 | S4 E513 | P2-S4 PolarHBondContact O-N 2.93Å; P2-E513 WeakPolarHBondContact CG-OE1 3.42Å | ||
| 3 | E | 25.9 | Very low | 33.7 | Very low | 141 Ų | 141 | 115.9 Ų | 115.9 | 66% | 0.659 | 68% | 0.684 | S | S | * | * | trans | -64.1 | 117.8 | 171.3 | -64.5 | 175.4 | 126.9 | 0 | 0 | 109.3 | R101 R105 | E3-R101 IonicContact OE2-NH2 3.71Å; E3-R105 IonicContact OE1-CZ 3.5Å; E3-R105 VanDerWaalsContact OE1-CZ 3.27Å; E3-R105 IonicContact OE1-NH1 3.69Å; E3-R105 PolarHBondContact OE1-NH1 3.46Å; E3-R105 IonicContact OE1-NH2 2.74Å; E3-R105 PolarHBondContact OE1-NH2 3.27Å; E3-R105 IonicContact OE2-CZ 3.06Å; E3-R105 IonicContact OE2-NH1 3.93Å; E3-R105 PolarHBondContact OE2-NH1 3.24Å; E3-R105 IonicContact OE2-NH2 3.21Å | ||
| 4 | S | 26.6 | Very low | 35.6 | Very low | 91 Ų | 91 | 118.1 Ų | 118.1 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -130.7 | 122 | 174.3 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | P2 V6 | P2-S4 PolarHBondContact O-N 2.93Å; S4-V6 PolarHBondContact O-N 3.39Å | ||
| 5 | L | 27.9 | Very low | 37.8 | Very low | 178 Ų | 178 | 112.8 Ų | 112.8 | 93% | 0.932 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 54.5 | 43.8 | 167.7 | -67.6 | 156 | 0 | 0 | 0 | 115.4 | ||
| 6 | V | 27.1 | Very low | 39.9 | Very low | 118 Ų | 118 | 106.8 Ų | 106.8 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | trans | -97.8 | 121.3 | 155.1 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | S4 D8 | S4-V6 PolarHBondContact O-N 3.39Å; V6-D8 PolarHBondContact O-N 3.38Å | ||
| 7 | G | 27.9 | Very low | 41.6 | Very low | 70 Ų | 70 | 103.5 Ų | 103.5 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | trans | -77.3 | 82.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N9 | G7-N9 PolarHBondContact O-N 3.42Š| ||
| 8 | D | 31.4 | Very low | 43.2 | Very low | 86 Ų | 86 | 99.4 Ų | 99.4 | 46% | 0.46 | 58% | 0.583 | S | S | . | * | trans | -69.3 | 61.8 | 168.6 | -75.5 | -11.2 | 0 | 0 | 0 | 110.5 | V6 C10 R101 R105 | V6-D8 PolarHBondContact O-N 3.38Å; D8-C10 PolarHBondContact O-N 3.35Å; D8-R101 IonicContact OD2-NH1 2.84Å; D8-R105 IonicContact OD2-CZ 2.71Å; D8-R105 IonicContact OD2-NH2 2.67Å; D8-R105 PolarHBondContact OD2-NH2 3.49Å | ||
| 9 | N | 34.8 | Very low | 44.5 | Very low | 151 Ų | 151 | 99.3 Ų | 99.3 | 81% | 0.807 | 58% | 0.576 | S | S | * | * | trans | -73.2 | 44.6 | 169 | -83 | 3.7 | 0 | 0 | 0 | 111.2 | G7 V11 | G7-N9 PolarHBondContact O-N 3.42Å; N9-V11 PolarHBondContact O-N 2.86Å | ||
| 10 | C | 36.6 | Very low | 46.1 | Very low | 91 Ų | 91 | 98.8 Ų | 98.8 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | trans | -77.6 | 71.6 | 167.8 | -161.8 | 0 | 0 | 0 | 0 | 108 | D8 I12 S100 | D8-C10 PolarHBondContact O-N 3.35Å; C10-I12 PolarHBondContact O-N 2.96Å; C10-I12 VanDerWaalsContact O-N 3.17Å; C10-S100 PolarHBondContact O-OG 2.84Å | ||
| 11 | V | 43.1 | Very low | 48 | Very low | 104 Ų | 104 | 94.2 Ų | 94.2 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | trans | -66.5 | 110.3 | 171.1 | -179 | 0 | 0 | 0 | 0 | 106.8 | N9 S13 | N9-V11 PolarHBondContact O-N 2.86Å; V11-S13 PolarHBondContact O-N 3.09Å | ||
| 12 | I | 52.1 | Low | 50.8 | Low | 52 Ų | 52 | 83 Ų | 83 | 27% | 0.267 | 49% | 0.487 | S | S | . | . | trans | -62.2 | 119.1 | 170.8 | -67.9 | 167.7 | 0 | 0 | 0 | 107.2 | C10 D14 L15 Y103 T104 | C10-I12 PolarHBondContact O-N 2.96Å; C10-I12 VanDerWaalsContact O-N 3.17Å; I12-D14 PolarHBondContact O-N 3.2Å; I12-L15 HydrophobicContact CB-CD1 4.32Å; I12-L15 HydrophobicContact CB-CG 4.21Å; I12-L15 PolarHBondContact O-N 3.06Å; I12-Y103 HydrophobicContact CD1-CG 4.39Å; I12-T104 HydrophobicContact CD1-CG2 3.67Å; I12-T104 HydrophobicContact CG1-CG2 4.15Å | ||
| 13 | S | 51.2 | Low | 53.3 | Low | 113 Ų | 113 | 79.9 Ų | 79.9 | 79% | 0.79 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.6 | -177.2 | -47.7 | 0 | 0 | 0 | 0 | 113.3 | V11 | V11-S13 PolarHBondContact O-N 3.09Š|
| 14 | D | 60.8 | Low | 55.7 | Low | 147 Ų | 147 | 73.1 Ų | 73.1 | 79% | 0.786 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 42 | -175.3 | -53 | -50.7 | 0 | 0 | 0 | 112.4 | I12 | I12-D14 PolarHBondContact O-N 3.2Š|
| 15 | L | 68.9 | Low | 58.2 | Low | 38 Ų | 38 | 74 Ų | 74 | 20% | 0.199 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 134.9 | 167.5 | -91.5 | 154.4 | 0 | 0 | 0 | 109.9 | I12 S17 L99 Y103 | I12-L15 HydrophobicContact CB-CD1 4.32Å; I12-L15 HydrophobicContact CB-CG 4.21Å; I12-L15 PolarHBondContact O-N 3.06Å; L15-S17 PolarHBondContact O-N 2.8Å; L15-L99 HydrophobicContact CD2-CB 4.1Å; L15-Y103 HydrophobicContact CD2-CD2 4.04Å; L15-Y103 HydrophobicContact CD2-CE2 4.26Å |
| 16 | P | 71.7 | Confident | 60.8 | Low | 16 Ų | 16 | 66.7 Ų | 66.7 | 10% | 0.104 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 138.9 | 176.5 | -27.5 | 36.3 | 0 | 0 | 0 | 111.8 | Q20 Y21 P116 | P16-Q20 HydrophobicContact CB-CB 4.22Å; P16-Y21 HydrophobicContact CB-CD1 4.12Å; P16-Y21 WeakPolarHBondContact O-CE1 3.44Å; P16-P116 HydrophobicContact CB-CB 4.18Å; P16-P116 HydrophobicContact CB-CG 3.93Å; P16-P116 HydrophobicContact CG-CB 4.21Å; P16-P116 HydrophobicContact CG-CG 3.69Å |
| 17 | S | 68.7 | Low | 63.4 | Low | 51 Ų | 51 | 65.8 Ų | 65.8 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 151.6 | 173.7 | 66.1 | 0 | 0 | 0 | 0 | 110.5 | L15 E19 Q20 Y21 | L15-S17 PolarHBondContact O-N 2.8Å; S17-E19 PolarHBondContact O-N 3.02Å; S17-Q20 VanDerWaalsContact O-CB 3.32Å; S17-Q20 WeakPolarHBondContact O-CB 3.4Å; S17-Q20 PolarHBondContact O-N 3.04Å; S17-Q20 WeakPolarHBondContact OG-CG 3.46Å; S17-Q20 PolarHBondContact OG-NE2 2.99Å; S17-Q20 VanDerWaalsContact OG-NE2 3.08Å; S17-Y21 WeakPolarHBondContact O-CD1 3.47Å; S17-Y21 WeakPolarHBondContact O-CE1 3.32Å |
| 18 | L | 69.5 | Low | 66.3 | Low | 30 Ų | 30 | 67.9 Ų | 67.9 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -49.8 | -38 | -178 | -177.9 | 67.2 | 0 | 0 | 0 | 113.1 | Q20 Y21 Y22 L46 L171 | L18-Q20 PolarHBondContact O-N 3.46Å; L18-Y21 HydrophobicContact CD1-CE2 3.7Å; L18-Y21 WeakPolarHBondContact CD1-OH 3.38Å; L18-Y21 PolarHBondContact O-N 3.41Å; L18-Y22 HydrophobicContact CD1-CD2 4.43Å; L18-Y22 HydrophobicContact CD1-CG 4.15Å; L18-Y22 HydrophobicContact CG-CG 4.37Å; L18-Y22 WeakPolarHBondContact O-CB 3.35Å; L18-Y22 PolarHBondContact O-N 3.1Å; L18-L46 HydrophobicContact CD1-CD2 4.39Å; L18-L171 VanDerWaalsContact CD2-O 3.26Å; L18-L171 WeakPolarHBondContact CD2-O 3.38Å |
| 19 | E | 67.8 | Low | 68.9 | Low | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -60.3 | -23.3 | 177.3 | -67.7 | 165.6 | 167.8 | 0 | 0 | 113.8 | S17 P119 L122 Y126 | S17-E19 PolarHBondContact O-N 3.02Å; E19-P119 WeakPolarHBondContact O-CD 3.37Å; E19-L122 HydrophobicContact CG-CD2 4.39Å; E19-Y126 HydrophobicContact CG-CE1 3.74Å |
| 20 | Q | 77.7 | Confident | 71.4 | Confident | 90 Ų | 90 | 62 Ų | 62 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -85.2 | -8.9 | -179.6 | -59.6 | 174.4 | 30.1 | 0 | 0 | 113.7 | P16 S17 L18 I117 P118 | P16-Q20 HydrophobicContact CB-CB 4.22Å; S17-Q20 VanDerWaalsContact O-CB 3.32Å; S17-Q20 WeakPolarHBondContact O-CB 3.4Å; S17-Q20 PolarHBondContact O-N 3.04Å; S17-Q20 WeakPolarHBondContact OG-CG 3.46Å; S17-Q20 PolarHBondContact OG-NE2 2.99Å; S17-Q20 VanDerWaalsContact OG-NE2 3.08Å; L18-Q20 PolarHBondContact O-N 3.46Å; Q20-I117 CarbonylContact O-C 3.53Å; Q20-I117 VanDerWaalsContact O-C 3.24Å; Q20-P118 WeakPolarHBondContact O-CA 3.23Å; Q20-P118 VanDerWaalsContact O-N 3.14Å |
| 21 | Y | 85.5 | Confident | 73.9 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | -5.2 | -179.3 | 65.7 | -95.7 | 0 | 0 | 0 | 115.2 | P16 S17 L18 H23 Y44 L45 L46 L95 L99 | P16-Y21 HydrophobicContact CB-CD1 4.12Å; P16-Y21 WeakPolarHBondContact O-CE1 3.44Å; S17-Y21 WeakPolarHBondContact O-CD1 3.47Å; S17-Y21 WeakPolarHBondContact O-CE1 3.32Å; L18-Y21 HydrophobicContact CD1-CE2 3.7Å; L18-Y21 WeakPolarHBondContact CD1-OH 3.38Å; L18-Y21 PolarHBondContact O-N 3.41Å; Y21-H23 PolarHBondContact O-CD2 3.04Å; Y21-Y44 HydrophobicContact CD1-CE2 4.3Å; Y21-Y44 AromaticContact CD2-CE2 4Å; Y21-Y44 HydrophobicContact CD2-CE2 4Å; Y21-Y44 AromaticContact CG-CE2 3.76Å; Y21-Y44 HydrophobicContact CG-CE2 3.76Å; Y21-L45 CarbonylContact O-C 3.56Å; Y21-L45 WeakPolarHBondContact O-CA 3.06Å; Y21-L46 HydrophobicContact CD2-CB 3.71Å; Y21-L46 HydrophobicContact CD2-CD2 4.49Å; Y21-L46 HydrophobicContact CE2-CB 4Å; Y21-L46 HydrophobicContact CE2-CD2 3.94Å; Y21-L46 PolarHBondContact O-N 3.07Å; Y21-L95 HydrophobicContact CE2-CD2 4.17Å; Y21-L99 HydrophobicContact CE1-CD1 3.83Å; Y21-L99 HydrophobicContact CE2-CD1 3.66Å; Y21-L99 WeakPolarHBondContact OH-CD1 3.22Å |
| 22 | Y | 83.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.1 | -176.4 | -178.3 | -104.5 | 0 | 0 | 0 | 113.7 | L18 L46 L48 Y62 P119 P123 E125 Y126 R174 | L18-Y22 HydrophobicContact CD1-CD2 4.43Å; L18-Y22 HydrophobicContact CD1-CG 4.15Å; L18-Y22 HydrophobicContact CG-CG 4.37Å; L18-Y22 WeakPolarHBondContact O-CB 3.35Å; L18-Y22 PolarHBondContact O-N 3.1Å; Y22-L46 WeakPolarHBondContact CA-O 3.28Å; Y22-L46 HydrophobicContact CD2-CB 4.13Å; Y22-L46 HydrophobicContact CD2-CD2 3.73Å; Y22-L46 HydrophobicContact CD2-CG 3.91Å; Y22-L46 HydrophobicContact CE2-CD2 4.28Å; Y22-L46 HydrophobicContact CE2-CG 4.41Å; Y22-L48 HydrophobicContact CE2-CG 4.46Å; Y22-L48 WeakPolarHBondContact OH-CD1 3.37Å; Y22-L48 VanDerWaalsContact OH-CG 3.26Å; Y22-L48 WeakPolarHBondContact OH-CG 3.15Å; Y22-Y62 HydrophobicContact CE2-CD1 4.01Å; Y22-Y62 AromaticContact CE2-CE1 3.74Å; Y22-Y62 HydrophobicContact CE2-CE1 3.74Å; Y22-P119 WeakPolarHBondContact O-CG 3.39Å; Y22-P123 HydrophobicContact CD1-CG 3.83Å; Y22-P123 HydrophobicContact CE1-CB 4.23Å; Y22-P123 HydrophobicContact CE1-CG 4.01Å; Y22-P123 WeakPolarHBondContact O-CG 3.42Å; Y22-E125 VanDerWaalsContact CE1-OE1 3.24Å; Y22-E125 WeakPolarHBondContact CE1-OE1 3.33Å; Y22-E125 VanDerWaalsContact CE1-OE2 3.31Å; Y22-E125 WeakPolarHBondContact CE1-OE2 3.11Å; Y22-E125 PolarHBondContact OH-OE1 3.48Å; Y22-E125 PolarHBondContact OH-OE2 3.18Å; Y22-Y126 AromaticContact CD1-CE2 3.97Å; Y22-Y126 HydrophobicContact CD1-CE2 3.97Å; Y22-Y126 HydrophobicContact CE1-CE2 4.19Å; Y22-R174 PolarHBondContact OH-NH1 2.71Å |
| 23 | H | 81.2 | Confident | 77.9 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -2.7 | -174 | -68.8 | -129.8 | 0 | 0 | 0 | 113.8 | Y21 I26 R34 L45 L46 I117 P118 P119 P123 | Y21-H23 PolarHBondContact O-CD2 3.04Å; H23-I26 HydrophobicContact CB-CD1 3.66Å; H23-I26 HydrophobicContact CB-CG1 3.93Å; H23-I26 HydrophobicContact CB-CG2 4.4Å; H23-R34 WeakPolarHBondContact CE1-CD 3.19Å; H23-R34 PolarHBondContact ND1-NH1 3.27Å; H23-L45 WeakPolarHBondContact NE2-CB 3.35Å; H23-L46 PolarHBondContact N-O 2.75Å; H23-I117 VanDerWaalsContact CE1-CG2 3.46Å; H23-I117 WeakPolarHBondContact CE1-CG2 3.32Å; H23-I117 PolarHBondContact NE2-O 2.86Å; H23-P118 PolarHBondContact CE1-O 3.44Å; H23-P118 PolarHBondContact NE2-O 2.85Å; H23-P119 HydrophobicContact CB-CB 4.41Å; H23-P123 VanDerWaalsContact C-CG 3.4Å |
| 24 | G | 76.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.1 | -143.8 | -172 | 0 | 0 | 0 | 0 | 0 | 111.6 | I26 R47 L48 E125 | G24-I26 PolarHBondContact O-N 2.91Å; G24-R47 CarbonylContact O-C 3.57Å; G24-R47 VanDerWaalsContact O-CA 3.32Å; G24-R47 WeakPolarHBondContact O-CA 3.35Å; G24-R47 WeakPolarHBondContact O-CB 3.48Å; G24-L48 PolarHBondContact O-N 2.88Å; G24-E125 WeakPolarHBondContact CA-OE1 3.1Å |
| 25 | Y | 78.6 | Confident | 81.1 | Confident | 109 Ų | 109 | 46.4 Ų | 46.4 | 43% | 0.427 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 99.4 | 177 | -63.8 | -74.5 | 0 | 0 | 0 | 112.3 | L48 R50 D60 | Y25-L48 HydrophobicContact CD1-CB 3.68Å; Y25-L48 HydrophobicContact CD1-CD1 4.48Å; Y25-L48 HydrophobicContact CD2-CD1 4.47Å; Y25-L48 HydrophobicContact CE1-CB 3.79Å; Y25-L48 HydrophobicContact CE1-CD1 4.05Å; Y25-L48 HydrophobicContact CE2-CD1 4.04Å; Y25-L48 HydrophobicContact CG-CB 4.22Å; Y25-R50 HydrophobicContact CD1-CG 4.09Å; Y25-R50 HydrophobicContact CE1-CG 3.7Å; Y25-D60 WeakPolarHBondContact CE1-OD1 3.32Å; Y25-D60 PolarHBondContact OH-OD1 3.11Å; Y25-D60 VanDerWaalsContact OH-OD1 3.05Å; Y25-D60 PolarHBondContact OH-OD2 2.93Å |
| 26 | I | 82.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | trans | -129.1 | 146.2 | 157.9 | 59.4 | 168.6 | 0 | 0 | 0 | 109.1 | H23 G24 E30 A31 L45 R47 | H23-I26 HydrophobicContact CB-CD1 3.66Å; H23-I26 HydrophobicContact CB-CG1 3.93Å; H23-I26 HydrophobicContact CB-CG2 4.4Å; G24-I26 PolarHBondContact O-N 2.91Å; I26-E30 HydrophobicContact CB-CG 4.37Å; I26-E30 HydrophobicContact CG2-CG 4.38Å; I26-A31 HydrophobicContact CD1-CB 3.87Å; I26-A31 HydrophobicContact CG1-CB 4.42Å; I26-L45 HydrophobicContact CD1-CD1 4Å; I26-R47 HydrophobicContact CD1-CB 4.29Å; I26-R47 HydrophobicContact CG1-CB 3.53Å; I26-R47 HydrophobicContact CG1-CG 4.31Å; I26-R47 WeakPolarHBondContact O-CD 3.13Å; I26-R47 PolarHBondContact O-NH1 3.5Å | ||
| 27 | D | 82.7 | Confident | 82.7 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | trans | -71.2 | -172.7 | 177.4 | 67.8 | 47.5 | 0 | 0 | 0 | 112 | A29 E30 A31 | D27-A29 WeakPolarHBondContact OD1-CA 3.36Å; D27-A29 PolarHBondContact OD1-N 2.9Å; D27-E30 PolarHBondContact OD1-N 3.09Å; D27-A31 WeakPolarHBondContact O-CB 3.43Å | ||
| 28 | R | 87.5 | Confident | 83.4 | Confident | 115 Ų | 115 | 55 Ų | 55 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.3 | -45.4 | 177.9 | -175.3 | 176.2 | 176 | 177.9 | -7.4 | 112.3 | A31 E32 H75 R575 | R28-A31 WeakPolarHBondContact O-CB 3.47Å; R28-A31 PolarHBondContact O-N 2.77Å; R28-E32 HydrophobicContact CG-CG 4.25Å; R28-E32 IonicContact CZ-OE1 3.22Å; R28-E32 IonicContact NE-OE1 2.64Å; R28-E32 PolarHBondContact NE-OE1 3.41Å; R28-E32 IonicContact NH2-OE1 2.71Å; R28-E32 PolarHBondContact NH2-OE1 2.84Å; R28-E32 WeakPolarHBondContact O-CG 3.47Å; R28-E32 PolarHBondContact O-N 3.11Å; R28-H75 PolarHBondContact NE-CD2 2.99Å; R28-H75 VanDerWaalsContact NE-CD2 3.29Å; R28-H75 PolarHBondContact NE-NE2 2.91Å; R28-R575 PolarHBondContact NH2-O 3.24Å |
| 29 | A | 87.4 | Confident | 83.9 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D27 A31 E32 K33 | D27-A29 WeakPolarHBondContact OD1-CA 3.36Å; D27-A29 PolarHBondContact OD1-N 2.9Å; A29-A31 VanDerWaalsContact C-N 3.31Å; A29-A31 PolarHBondContact O-N 2.91Å; A29-E32 PolarHBondContact O-N 3.05Å; A29-K33 WeakPolarHBondContact O-CB 3.37Å; A29-K33 PolarHBondContact O-N 3.44Å |
| 30 | E | 86.1 | Confident | 84.8 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -33.1 | 175.2 | 179.7 | 62.8 | -170.9 | 0 | 0 | 111.8 | I26 D27 K33 R34 | I26-E30 HydrophobicContact CB-CG 4.37Å; I26-E30 HydrophobicContact CG2-CG 4.38Å; D27-E30 PolarHBondContact OD1-N 3.09Å; E30-K33 WeakPolarHBondContact OE2-CD 3.24Å; E30-K33 WeakPolarHBondContact OE2-CE 3.37Å; E30-K33 IonicContact OE2-NZ 3.25Å; E30-K33 PolarHBondContact OE2-NZ 2.66Å; E30-R34 WeakPolarHBondContact O-CB 3.14Å; E30-R34 WeakPolarHBondContact O-CG 3.32Å; E30-R34 PolarHBondContact O-N 3.44Å; E30-R34 IonicContact OE1-CZ 2.71Å; E30-R34 IonicContact OE1-NE 3.19Å; E30-R34 PolarHBondContact OE1-NE 3.07Å; E30-R34 IonicContact OE1-NH2 2.75Å; E30-R34 PolarHBondContact OE1-NH2 3.02Å |
| 31 | A | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.7 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | I26 D27 R28 A29 R34 L35 L45 | I26-A31 HydrophobicContact CD1-CB 3.87Å; I26-A31 HydrophobicContact CG1-CB 4.42Å; D27-A31 WeakPolarHBondContact O-CB 3.43Å; R28-A31 WeakPolarHBondContact O-CB 3.47Å; R28-A31 PolarHBondContact O-N 2.77Å; A29-A31 VanDerWaalsContact C-N 3.31Å; A29-A31 PolarHBondContact O-N 2.91Å; A31-R34 PolarHBondContact O-N 2.79Å; A31-L35 WeakPolarHBondContact O-CD1 3.42Å; A31-L35 WeakPolarHBondContact O-CG 3.31Å; A31-L35 PolarHBondContact O-N 3.32Å; A31-L35 VanDerWaalsContact O-N 3.1Å; A31-L45 HydrophobicContact CB-CD1 4.08Å |
| 32 | E | 91.7 | Very high | 85.4 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.8 | -68.2 | -174.1 | 159.7 | 0 | 0 | 111.2 | R28 A29 R34 L35 Q36 C73 H75 | R28-E32 HydrophobicContact CG-CG 4.25Å; R28-E32 IonicContact CZ-OE1 3.22Å; R28-E32 IonicContact NE-OE1 2.64Å; R28-E32 PolarHBondContact NE-OE1 3.41Å; R28-E32 IonicContact NH2-OE1 2.71Å; R28-E32 PolarHBondContact NH2-OE1 2.84Å; R28-E32 WeakPolarHBondContact O-CG 3.47Å; R28-E32 PolarHBondContact O-N 3.11Å; A29-E32 PolarHBondContact O-N 3.05Å; E32-R34 PolarHBondContact O-N 2.84Å; E32-L35 PolarHBondContact O-N 3.39Å; E32-Q36 WeakPolarHBondContact O-CB 3.45Å; E32-Q36 VanDerWaalsContact O-CG 3.25Å; E32-Q36 WeakPolarHBondContact O-CG 3.47Å; E32-Q36 PolarHBondContact O-N 2.98Å; E32-C73 HydrophobicContact CB-CB 4.3Å; E32-C73 HydrophobicContact CG-CB 3.65Å; E32-H75 WeakPolarHBondContact CG-NE2 3.35Å; E32-H75 IonicContact OE1-CD2 2.87Å; E32-H75 IonicContact OE1-NE2 3.07Å; E32-H75 PolarHBondContact OE1-NE2 2.95Å |
| 33 | K | 88.4 | Confident | 85.8 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 174.5 | 173.7 | -179.4 | 154.7 | -147 | 0 | 112.6 | A29 E30 Q36 S37 | A29-K33 WeakPolarHBondContact O-CB 3.37Å; A29-K33 PolarHBondContact O-N 3.44Å; E30-K33 WeakPolarHBondContact OE2-CD 3.24Å; E30-K33 WeakPolarHBondContact OE2-CE 3.37Å; E30-K33 IonicContact OE2-NZ 3.25Å; E30-K33 PolarHBondContact OE2-NZ 2.66Å; K33-Q36 PolarHBondContact O-N 3.31Å; K33-S37 VanDerWaalsContact O-CB 3.27Å; K33-S37 WeakPolarHBondContact O-CB 3.31Å; K33-S37 PolarHBondContact O-N 3.1Å; K33-S37 PolarHBondContact O-OG 3.25Å |
| 34 | R | 89.4 | Confident | 86.4 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 176.3 | -77.3 | 172.4 | -170.4 | -136.4 | -11.5 | 112.6 | H23 E30 A31 E32 S37 F38 L45 T120 | H23-R34 WeakPolarHBondContact CE1-CD 3.19Å; H23-R34 PolarHBondContact ND1-NH1 3.27Å; E30-R34 WeakPolarHBondContact O-CB 3.14Å; E30-R34 WeakPolarHBondContact O-CG 3.32Å; E30-R34 PolarHBondContact O-N 3.44Å; E30-R34 IonicContact OE1-CZ 2.71Å; E30-R34 IonicContact OE1-NE 3.19Å; E30-R34 PolarHBondContact OE1-NE 3.07Å; E30-R34 IonicContact OE1-NH2 2.75Å; E30-R34 PolarHBondContact OE1-NH2 3.02Å; A31-R34 PolarHBondContact O-N 2.79Å; E32-R34 PolarHBondContact O-N 2.84Å; R34-S37 WeakPolarHBondContact CA-OG 3.48Å; R34-S37 PolarHBondContact O-N 2.83Å; R34-S37 PolarHBondContact O-OG 3.42Å; R34-F38 PolarHBondContact O-N 3.44Å; R34-F38 VanDerWaalsContact O-N 3.16Å; R34-L45 HydrophobicContact CB-CD2 4.04Å; R34-T120 PolarHBondContact NH1-OG1 2.81Å; R34-T120 VanDerWaalsContact NH1-OG1 3.09Å; R34-T120 PolarHBondContact NH2-OG1 2.83Å |
| 35 | L | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 175.2 | -75.2 | 160.1 | 0 | 0 | 0 | 110.9 | A31 E32 F38 G39 L45 L67 I117 | A31-L35 WeakPolarHBondContact O-CD1 3.42Å; A31-L35 WeakPolarHBondContact O-CG 3.31Å; A31-L35 PolarHBondContact O-N 3.32Å; A31-L35 VanDerWaalsContact O-N 3.1Å; E32-L35 PolarHBondContact O-N 3.39Å; L35-F38 PolarHBondContact O-N 3.18Å; L35-G39 PolarHBondContact O-N 3.21Å; L35-L45 HydrophobicContact CG-CD2 4.11Å; L35-L45 HydrophobicContact CG-CG 4.48Å; L35-L67 HydrophobicContact CB-CB 4.2Å; L35-L67 HydrophobicContact CB-CD1 4.34Å; L35-L67 HydrophobicContact CD2-CB 4Å; L35-I117 HydrophobicContact CB-CD1 4.49Å; L35-I117 HydrophobicContact CD2-CD1 3.69Å; L35-I117 HydrophobicContact CG-CD1 4.26Å |
| 36 | Q | 89.1 | Confident | 87.6 | Confident | 108 Ų | 108 | 46.1 Ų | 46.1 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.9 | -69.2 | 170.1 | 15.7 | 0 | 0 | 112.7 | E32 K33 F38 G39 | E32-Q36 WeakPolarHBondContact O-CB 3.45Å; E32-Q36 VanDerWaalsContact O-CG 3.25Å; E32-Q36 WeakPolarHBondContact O-CG 3.47Å; E32-Q36 PolarHBondContact O-N 2.98Å; K33-Q36 PolarHBondContact O-N 3.31Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; Q36-F38 PolarHBondContact O-N 3.07Å; Q36-G39 PolarHBondContact O-N 2.93Å; Q36-G39 VanDerWaalsContact O-N 3.13Å |
| 37 | S | 83.3 | Confident | 87.9 | Confident | 93 Ų | 93 | 45.5 Ų | 45.5 | 65% | 0.65 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.2 | -28.8 | -179 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | K33 R34 | K33-S37 VanDerWaalsContact O-CB 3.27Å; K33-S37 WeakPolarHBondContact O-CB 3.31Å; K33-S37 PolarHBondContact O-N 3.1Å; K33-S37 PolarHBondContact O-OG 3.25Å; R34-S37 WeakPolarHBondContact CA-OG 3.48Å; R34-S37 PolarHBondContact O-N 2.83Å; R34-S37 PolarHBondContact O-OG 3.42Å |
| 38 | F | 83.6 | Confident | 87.8 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 37% | 0.368 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.8 | -32.9 | 169.9 | -99.8 | -100.1 | 0 | 0 | 0 | 112 | R34 L35 Q36 I40 I117 | R34-F38 PolarHBondContact O-N 3.44Å; R34-F38 VanDerWaalsContact O-N 3.16Å; L35-F38 PolarHBondContact O-N 3.18Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; Q36-F38 PolarHBondContact O-N 3.07Å; F38-I40 VanDerWaalsContact C-N 3.25Å; F38-I40 HydrophobicContact CD1-CD1 4.16Å; F38-I40 PolarHBondContact O-N 2.88Å; F38-I117 HydrophobicContact CB-CD1 3.75Å; F38-I117 HydrophobicContact CB-CG1 4.36Å; F38-I117 HydrophobicContact CD1-CG1 4.42Å; F38-I117 HydrophobicContact CD2-CD1 4.19Å; F38-I117 HydrophobicContact CD2-CG1 4.41Å; F38-I117 HydrophobicContact CD2-CG2 3.77Å; F38-I117 HydrophobicContact CE2-CG2 3.75Å; F38-I117 HydrophobicContact CG-CD1 3.97Å; F38-I117 HydrophobicContact CG-CG1 4.15Å; F38-I117 HydrophobicContact CG-CG2 4.34Å; F38-I117 HydrophobicContact CZ-CG2 4.3Å |
| 39 | G | 81.2 | Confident | 87.1 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 24.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L35 Q36 F71 | L35-G39 PolarHBondContact O-N 3.21Å; Q36-G39 PolarHBondContact O-N 2.93Å; Q36-G39 VanDerWaalsContact O-N 3.13Å; G39-F71 WeakPolarHBondContact O-CE1 3.28Å |
| 40 | I | 85.8 | Confident | 86.1 | Confident | 61 Ų | 61 | 40.9 Ų | 40.9 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | trans | -102 | 114.4 | 179.6 | -58.7 | 178.8 | 0 | 0 | 0 | 109.4 | F38 S43 H115 | F38-I40 VanDerWaalsContact C-N 3.25Å; F38-I40 HydrophobicContact CD1-CD1 4.16Å; F38-I40 PolarHBondContact O-N 2.88Å; I40-S43 WeakPolarHBondContact O-CB 3.29Å; I40-S43 PolarHBondContact O-N 2.72Å; I40-S43 PolarHBondContact O-OG 3.42Å; I40-H115 HydrophobicContact CG2-CB 3.83Å; I40-H115 VanDerWaalsContact CG2-CD2 3.46Å; I40-H115 WeakPolarHBondContact CG2-CD2 3.49Å | ||
| 41 | A | 86 | Confident | 84.6 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 21% | 0.207 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 141.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S43 F71 | A41-S43 VanDerWaalsContact C-N 3.3Å; A41-F71 HydrophobicContact CB-CE1 4.41Å; A41-F71 HydrophobicContact CB-CE2 4.24Å; A41-F71 HydrophobicContact CB-CZ 3.98Å |
| 42 | N | 89.7 | Confident | 82.3 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 25.3 | -172.3 | -38.5 | -95.1 | 0 | 0 | 0 | 114.1 | Y66 L67 R112 K114 H115 | N42-Y66 HydrophobicContact CB-CE2 4.32Å; N42-Y66 PolarHBondContact OD1-OH 3.11Å; N42-L67 WeakPolarHBondContact CA-O 3.19Å; N42-L67 PolarHBondContact N-O 2.88Å; N42-R112 WeakPolarHBondContact CB-O 3.49Å; N42-K114 HydrophobicContact CB-CB 4.1Å; N42-K114 HydrophobicContact CB-CD 4.01Å; N42-K114 HydrophobicContact CB-CG 4.11Å; N42-K114 PolarHBondContact O-N 2.84Å; N42-H115 PolarHBondContact O-N 3.29Å |
| 43 | S | 91.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 157.4 | 175.7 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | I40 A41 Y66 L67 H115 | I40-S43 WeakPolarHBondContact O-CB 3.29Å; I40-S43 PolarHBondContact O-N 2.72Å; I40-S43 PolarHBondContact O-OG 3.42Å; A41-S43 VanDerWaalsContact C-N 3.3Å; S43-Y66 CarbonylContact O-C 3.6Å; S43-Y66 WeakPolarHBondContact O-CA 3.37Å; S43-Y66 VanDerWaalsContact O-CD2 3.27Å; S43-Y66 WeakPolarHBondContact O-CD2 3.38Å; S43-L67 PolarHBondContact N-O 2.72Å; S43-L67 PolarHBondContact O-N 3.39Å; S43-H115 CarbonylContact C-O 3.57Å; S43-H115 WeakPolarHBondContact CA-O 3.22Å; S43-H115 WeakPolarHBondContact CB-O 3.43Å |
| 44 | Y | 93.5 | Very high | 77.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 159.5 | -178.3 | 74.5 | -85.4 | 0 | 0 | 0 | 114 | Y21 L64 S65 L99 Y103 L113 H115 P116 I117 | Y21-Y44 HydrophobicContact CD1-CE2 4.3Å; Y21-Y44 AromaticContact CD2-CE2 4Å; Y21-Y44 HydrophobicContact CD2-CE2 4Å; Y21-Y44 AromaticContact CG-CE2 3.76Å; Y21-Y44 HydrophobicContact CG-CE2 3.76Å; Y44-L64 HydrophobicContact CD2-CD1 3.6Å; Y44-L64 HydrophobicContact CE2-CD1 4.46Å; Y44-L64 HydrophobicContact CG-CD1 4.18Å; Y44-S65 CarbonylContact C-O 3.55Å; Y44-S65 WeakPolarHBondContact CA-O 3.44Å; Y44-S65 WeakPolarHBondContact CB-O 3.16Å; Y44-L99 HydrophobicContact CE2-CD2 3.98Å; Y44-Y103 AromaticContact CE1-CE2 3.87Å; Y44-Y103 HydrophobicContact CE1-CE2 3.87Å; Y44-Y103 PolarHBondContact OH-OH 3.02Å; Y44-L113 HydrophobicContact CD1-CB 4.05Å; Y44-L113 HydrophobicContact CD1-CD2 4.08Å; Y44-L113 HydrophobicContact CD1-CG 4.49Å; Y44-L113 HydrophobicContact CE1-CB 4.13Å; Y44-L113 HydrophobicContact CG-CD2 4.01Å; Y44-H115 PolarHBondContact N-O 2.86Å; Y44-P116 HydrophobicContact CE1-CB 4.09Å; Y44-P116 HydrophobicContact CE2-CB 4.48Å; Y44-I117 PolarHBondContact O-N 2.84Å |
| 45 | L | 92.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 156.4 | 168.2 | 63.2 | 84.4 | 0 | 0 | 0 | 110.8 | Y21 H23 I26 A31 R34 L35 R47 S65 I117 | Y21-L45 CarbonylContact O-C 3.56Å; Y21-L45 WeakPolarHBondContact O-CA 3.06Å; H23-L45 WeakPolarHBondContact NE2-CB 3.35Å; I26-L45 HydrophobicContact CD1-CD1 4Å; A31-L45 HydrophobicContact CB-CD1 4.08Å; R34-L45 HydrophobicContact CB-CD2 4.04Å; L35-L45 HydrophobicContact CG-CD2 4.11Å; L35-L45 HydrophobicContact CG-CG 4.48Å; L45-R47 HydrophobicContact CD1-CB 4.31Å; L45-S65 PolarHBondContact N-O 2.95Å; L45-S65 PolarHBondContact O-N 3.38Å; L45-I117 HydrophobicContact CB-CB 4.47Å |
| 46 | L | 90 | Very high | 72.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.1 | 175.1 | -175.4 | 72.4 | 0 | 0 | 0 | 109.4 | L18 Y21 Y22 H23 Y62 L64 L78 L95 | L18-L46 HydrophobicContact CD1-CD2 4.39Å; Y21-L46 HydrophobicContact CD2-CB 3.71Å; Y21-L46 HydrophobicContact CD2-CD2 4.49Å; Y21-L46 HydrophobicContact CE2-CB 4Å; Y21-L46 HydrophobicContact CE2-CD2 3.94Å; Y21-L46 PolarHBondContact O-N 3.07Å; Y22-L46 WeakPolarHBondContact CA-O 3.28Å; Y22-L46 HydrophobicContact CD2-CB 4.13Å; Y22-L46 HydrophobicContact CD2-CD2 3.73Å; Y22-L46 HydrophobicContact CD2-CG 3.91Å; Y22-L46 HydrophobicContact CE2-CD2 4.28Å; Y22-L46 HydrophobicContact CE2-CG 4.41Å; H23-L46 PolarHBondContact N-O 2.75Å; L46-Y62 HydrophobicContact CD2-CD1 4.08Å; L46-Y62 HydrophobicContact CG-CD1 4.34Å; L46-L64 HydrophobicContact CD1-CB 4.26Å; L46-L78 HydrophobicContact CD1-CD1 4.25Å; L46-L95 HydrophobicContact CD1-CD1 4.43Å; L46-L95 HydrophobicContact CD2-CD1 3.55Å; L46-L95 HydrophobicContact CD2-CD2 3.74Å; L46-L95 HydrophobicContact CD2-CG 4.29Å |
| 47 | R | 88.2 | Confident | 69.5 | Low | 12 Ų | 12 | 53.7 Ų | 53.7 | 5% | 0.045 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.9 | 177.8 | 67.3 | -168.4 | -173.6 | 77.5 | 3.6 | 111.3 | G24 I26 L45 S49 Y62 V63 S65 | G24-R47 CarbonylContact O-C 3.57Å; G24-R47 VanDerWaalsContact O-CA 3.32Å; G24-R47 WeakPolarHBondContact O-CA 3.35Å; G24-R47 WeakPolarHBondContact O-CB 3.48Å; I26-R47 HydrophobicContact CD1-CB 4.29Å; I26-R47 HydrophobicContact CG1-CB 3.53Å; I26-R47 HydrophobicContact CG1-CG 4.31Å; I26-R47 WeakPolarHBondContact O-CD 3.13Å; I26-R47 PolarHBondContact O-NH1 3.5Å; L45-R47 HydrophobicContact CD1-CB 4.31Å; R47-S49 VanDerWaalsContact NH1-CB 3.33Å; R47-S49 PolarHBondContact NH1-OG 3.07Å; R47-Y62 CarbonylContact O-C 3.46Å; R47-Y62 WeakPolarHBondContact O-CA 3.44Å; R47-V63 HydrophobicContact CG-CB 4.02Å; R47-V63 PolarHBondContact N-O 3.25Å; R47-V63 PolarHBondContact O-N 3.02Å; R47-S65 PolarHBondContact NE-OG 2.85Å |
| 48 | L | 79.7 | Confident | 67.7 | Low | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 139.6 | 158.6 | -74.6 | 175.4 | 0 | 0 | 0 | 109.3 | Y22 G24 Y25 D60 Y62 | Y22-L48 HydrophobicContact CE2-CG 4.46Å; Y22-L48 WeakPolarHBondContact OH-CD1 3.37Å; Y22-L48 VanDerWaalsContact OH-CG 3.26Å; Y22-L48 WeakPolarHBondContact OH-CG 3.15Å; G24-L48 PolarHBondContact O-N 2.88Å; Y25-L48 HydrophobicContact CD1-CB 3.68Å; Y25-L48 HydrophobicContact CD1-CD1 4.48Å; Y25-L48 HydrophobicContact CD2-CD1 4.47Å; Y25-L48 HydrophobicContact CE1-CB 3.79Å; Y25-L48 HydrophobicContact CE1-CD1 4.05Å; Y25-L48 HydrophobicContact CE2-CD1 4.04Å; Y25-L48 HydrophobicContact CG-CB 4.22Å; L48-D60 HydrophobicContact CD2-CB 4.26Å; L48-Y62 HydrophobicContact CD2-CD1 3.67Å; L48-Y62 HydrophobicContact CD2-CD2 4.09Å; L48-Y62 HydrophobicContact CD2-CE1 3.64Å; L48-Y62 HydrophobicContact CD2-CE2 4.07Å; L48-Y62 HydrophobicContact CD2-CG 3.89Å; L48-Y62 HydrophobicContact CG-CD1 4.41Å; L48-Y62 HydrophobicContact CG-CE1 4.26Å |
| 49 | S | 72.6 | Confident | 66.2 | Low | 34 Ų | 34 | 56.9 Ų | 56.9 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 117.7 | 173.3 | -154.5 | 0 | 0 | 0 | 0 | 107.6 | R47 A51 I61 | R47-S49 VanDerWaalsContact NH1-CB 3.33Å; R47-S49 PolarHBondContact NH1-OG 3.07Å; S49-A51 PolarHBondContact O-N 3.49Å; S49-I61 PolarHBondContact N-O 3.42Å; S49-I61 PolarHBondContact O-N 2.8Å |
| 50 | R | 66.6 | Low | 65.4 | Low | 138 Ų | 138 | 58.3 Ų | 58.3 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 117.5 | 170.6 | -71.7 | 173.1 | 68.3 | 159.4 | 1.2 | 108.1 | Y25 W58 D60 | Y25-R50 HydrophobicContact CD1-CG 4.09Å; Y25-R50 HydrophobicContact CE1-CG 3.7Å; R50-W58 HydrophobicContact CB-CD2 4.47Å; R50-W58 HydrophobicContact CB-CE3 3.76Å; R50-W58 HydrophobicContact CB-CZ3 4.31Å; R50-W58 VanDerWaalsContact NH2-NE1 3.14Å; R50-D60 WeakPolarHBondContact CG-OD1 3.5Å |
| 51 | A | 53.4 | Low | 64.8 | Low | 26 Ų | 26 | 56.6 Ų | 56.6 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S49 H53 E59 I61 | S49-A51 PolarHBondContact O-N 3.49Å; A51-H53 PolarHBondContact O-N 2.85Å; A51-E59 PolarHBondContact N-O 3.48Å; A51-E59 PolarHBondContact O-N 2.81Å; A51-I61 HydrophobicContact CB-CD1 3.53Å; A51-I61 HydrophobicContact CB-CG1 3.96Å |
| 52 | A | 41.5 | Very low | 64.7 | Low | 80 Ų | 80 | 56.4 Ų | 56.4 | 66% | 0.661 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 102 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | W58 | A52-W58 HydrophobicContact CB-CE3 4.42Å; A52-W58 HydrophobicContact CB-CZ3 4Å |
| 53 | H | 41.2 | Very low | 64.7 | Low | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.606 | 31% | 0.313 | S | S | * | . | trans | -76.4 | 156.8 | 146 | -93.4 | -56.1 | 0 | 0 | 0 | 108.5 | A51 G55 | A51-H53 PolarHBondContact O-N 2.85Å; H53-G55 PolarHBondContact O-N 2.84Å | ||
| 54 | G | 35 | Very low | 64.7 | Low | 75 Ų | 75 | 55.7 Ų | 55.7 | 77% | 0.773 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -69.2 | 89.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 55 | G | 35.5 | Very low | 64.6 | Low | 32 Ų | 32 | 55.7 Ų | 55.7 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 155.1 | 167.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H53 T57 | H53-G55 PolarHBondContact O-N 2.84Å; G55-T57 PolarHBondContact O-N 2.97Å |
| 56 | D | 36.4 | Very low | 64.7 | Low | 159 Ų | 159 | 55.7 Ų | 55.7 | 85% | 0.85 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -69 | -2.3 | -176.4 | -73.4 | -57 | 0 | 0 | 0 | 115.1 | W58 | D56-W58 VanDerWaalsContact O-CD1 3.27Å; D56-W58 PolarHBondContact O-N 3.03Å |
| 57 | T | 33.1 | Very low | 64.7 | Low | 101 Ų | 101 | 55.7 Ų | 55.7 | 62% | 0.62 | 31% | 0.314 | S | S | * | . | trans | -87.2 | 100 | 176.6 | 51 | 0 | 0 | 0 | 0 | 111.2 | G55 | G55-T57 PolarHBondContact O-N 2.97Š| ||
| 58 | W | 44.6 | Very low | 64.9 | Low | 125 Ų | 125 | 55.1 Ų | 55.1 | 47% | 0.473 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.5 | 172.8 | -56.5 | 82.2 | 0 | 0 | 0 | 110.5 | R50 A52 D56 | R50-W58 HydrophobicContact CB-CD2 4.47Å; R50-W58 HydrophobicContact CB-CE3 3.76Å; R50-W58 HydrophobicContact CB-CZ3 4.31Å; R50-W58 VanDerWaalsContact NH2-NE1 3.14Å; A52-W58 HydrophobicContact CB-CE3 4.42Å; A52-W58 HydrophobicContact CB-CZ3 4Å; D56-W58 VanDerWaalsContact O-CD1 3.27Å; D56-W58 PolarHBondContact O-N 3.03Å |
| 59 | E | 51.6 | Low | 65.2 | Low | 119 Ų | 119 | 57.7 Ų | 57.7 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 135.7 | 164.4 | -75.1 | -164.5 | 144.6 | 0 | 0 | 110.4 | A51 I61 | A51-E59 PolarHBondContact N-O 3.48Å; A51-E59 PolarHBondContact O-N 2.81Å; E59-I61 PolarHBondContact O-N 2.97Å |
| 60 | D | 66 | Low | 65.9 | Low | 69 Ų | 69 | 60.3 Ų | 60.3 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 102 | -177.3 | -63.1 | -47.8 | 0 | 0 | 0 | 110.6 | Y25 L48 R50 | Y25-D60 WeakPolarHBondContact CE1-OD1 3.32Å; Y25-D60 PolarHBondContact OH-OD1 3.11Å; Y25-D60 VanDerWaalsContact OH-OD1 3.05Å; Y25-D60 PolarHBondContact OH-OD2 2.93Å; L48-D60 HydrophobicContact CD2-CB 4.26Å; R50-D60 WeakPolarHBondContact CG-OD1 3.5Å |
| 61 | I | 73.2 | Confident | 66.8 | Low | 25 Ų | 25 | 59.3 Ų | 59.3 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.6 | -174.6 | -56.5 | -173.3 | 0 | 0 | 0 | 109.9 | S49 A51 E59 R77 | S49-I61 PolarHBondContact N-O 3.42Å; S49-I61 PolarHBondContact O-N 2.8Å; A51-I61 HydrophobicContact CB-CD1 3.53Å; A51-I61 HydrophobicContact CB-CG1 3.96Å; E59-I61 PolarHBondContact O-N 2.97Å; I61-R77 HydrophobicContact CG2-CB 4.34Å |
| 62 | Y | 83.7 | Confident | 68.5 | Low | 22 Ų | 22 | 58.7 Ų | 58.7 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 133.3 | 171.1 | -68.6 | -85.5 | 0 | 0 | 0 | 110.5 | Y22 L46 R47 L48 L78 F85 L95 R174 | Y22-Y62 HydrophobicContact CE2-CD1 4.01Å; Y22-Y62 AromaticContact CE2-CE1 3.74Å; Y22-Y62 HydrophobicContact CE2-CE1 3.74Å; L46-Y62 HydrophobicContact CD2-CD1 4.08Å; L46-Y62 HydrophobicContact CG-CD1 4.34Å; R47-Y62 CarbonylContact O-C 3.46Å; R47-Y62 WeakPolarHBondContact O-CA 3.44Å; L48-Y62 HydrophobicContact CD2-CD1 3.67Å; L48-Y62 HydrophobicContact CD2-CD2 4.09Å; L48-Y62 HydrophobicContact CD2-CE1 3.64Å; L48-Y62 HydrophobicContact CD2-CE2 4.07Å; L48-Y62 HydrophobicContact CD2-CG 3.89Å; L48-Y62 HydrophobicContact CG-CD1 4.41Å; L48-Y62 HydrophobicContact CG-CE1 4.26Å; Y62-L78 PolarHBondContact O-N 2.82Å; Y62-F85 HydrophobicContact CD2-CE1 4.01Å; Y62-F85 HydrophobicContact CE2-CE1 4.3Å; Y62-L95 HydrophobicContact CD1-CD1 4.46Å; Y62-R174 HydrophobicContact CE1-CG 4.31Å; Y62-R174 HydrophobicContact CE2-CB 4.37Å; Y62-R174 WeakPolarHBondContact OH-CD 3.12Å; Y62-R174 PolarHBondContact OH-NH1 3.06Å |
| 63 | V | 88.7 | Confident | 70.8 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 114 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | R47 S65 H75 F76 | R47-V63 HydrophobicContact CG-CB 4.02Å; R47-V63 PolarHBondContact N-O 3.25Å; R47-V63 PolarHBondContact O-N 3.02Å; V63-S65 PolarHBondContact O-N 2.86Å; V63-H75 HydrophobicContact CG1-CB 3.84Å; V63-F76 CarbonylContact C-O 3.52Å; V63-F76 WeakPolarHBondContact CA-O 3.48Å |
| 64 | L | 91.5 | Very high | 73.2 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116 | 170.5 | 174.1 | 65.5 | 0 | 0 | 0 | 108.3 | Y44 L46 H75 F76 L78 I87 L99 I107 L113 | Y44-L64 HydrophobicContact CD2-CD1 3.6Å; Y44-L64 HydrophobicContact CE2-CD1 4.46Å; Y44-L64 HydrophobicContact CG-CD1 4.18Å; L46-L64 HydrophobicContact CD1-CB 4.26Å; L64-H75 CarbonylContact O-C 3.51Å; L64-H75 WeakPolarHBondContact O-CA 3.34Å; L64-F76 HydrophobicContact CB-CB 4.36Å; L64-F76 PolarHBondContact N-O 2.81Å; L64-F76 PolarHBondContact O-N 2.89Å; L64-L78 HydrophobicContact CB-CD1 3.71Å; L64-I87 HydrophobicContact CD2-CD1 4.47Å; L64-L99 HydrophobicContact CD1-CD2 4.43Å; L64-I107 HydrophobicContact CD2-CD1 3.75Å; L64-L113 HydrophobicContact CD2-CD1 4.14Å; L64-L113 HydrophobicContact CD2-CD2 4.35Å |
| 65 | S | 92.4 | Very high | 75.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.5 | 178.4 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | Y44 L45 R47 V63 F74 H75 | Y44-S65 CarbonylContact C-O 3.55Å; Y44-S65 WeakPolarHBondContact CA-O 3.44Å; Y44-S65 WeakPolarHBondContact CB-O 3.16Å; L45-S65 PolarHBondContact N-O 2.95Å; L45-S65 PolarHBondContact O-N 3.38Å; R47-S65 PolarHBondContact NE-OG 2.85Å; V63-S65 PolarHBondContact O-N 2.86Å; S65-F74 CarbonylContact C-O 3.46Å; S65-F74 VanDerWaalsContact CA-O 3.31Å; S65-F74 WeakPolarHBondContact CA-O 3.39Å; S65-H75 VanDerWaalsContact CB-ND1 3.33Å; S65-H75 WeakPolarHBondContact CB-ND1 3.21Å; S65-H75 PolarHBondContact OG-ND1 3.25Å |
| 66 | Y | 93.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 144 | -167.4 | 172.9 | -103.4 | 0 | 0 | 0 | 111.1 | N42 S43 C73 F74 E111 R112 L113 | N42-Y66 HydrophobicContact CB-CE2 4.32Å; N42-Y66 PolarHBondContact OD1-OH 3.11Å; S43-Y66 CarbonylContact O-C 3.6Å; S43-Y66 WeakPolarHBondContact O-CA 3.37Å; S43-Y66 VanDerWaalsContact O-CD2 3.27Å; S43-Y66 WeakPolarHBondContact O-CD2 3.38Å; Y66-C73 WeakPolarHBondContact O-CA 3.47Å; Y66-F74 HydrophobicContact CD1-CB 4.19Å; Y66-F74 HydrophobicContact CD1-CD2 4.11Å; Y66-F74 HydrophobicContact CD1-CG 4.32Å; Y66-F74 PolarHBondContact N-O 3.46Å; Y66-F74 PolarHBondContact O-N 3.17Å; Y66-E111 HydrophobicContact CE1-CB 4.11Å; Y66-E111 HydrophobicContact CE1-CG 4.44Å; Y66-E111 WeakPolarHBondContact CE1-OE2 3.45Å; Y66-E111 PolarHBondContact OH-OE2 3.07Å; Y66-R112 PolarHBondContact OH-N 3.19Å; Y66-R112 PolarHBondContact OH-O 2.82Å; Y66-L113 HydrophobicContact CD2-CD2 3.58Å; Y66-L113 HydrophobicContact CE2-CD2 3.97Å; Y66-L113 HydrophobicContact CG-CD2 4.45Å |
| 67 | L | 91.7 | Very high | 80.8 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.2 | 174.3 | -167.7 | 74.2 | 0 | 0 | 0 | 109.5 | L35 N42 S43 F71 A72 | L35-L67 HydrophobicContact CB-CB 4.2Å; L35-L67 HydrophobicContact CB-CD1 4.34Å; L35-L67 HydrophobicContact CD2-CB 4Å; N42-L67 WeakPolarHBondContact CA-O 3.19Å; N42-L67 PolarHBondContact N-O 2.88Å; S43-L67 PolarHBondContact N-O 2.72Å; S43-L67 PolarHBondContact O-N 3.39Å; L67-F71 HydrophobicContact CD2-CD1 3.99Å; L67-A72 WeakPolarHBondContact CA-O 3.23Å |
| 68 | S | 90.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | trans | -70.1 | 172.1 | -174.8 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | T70 F71 A72 F74 E111 | S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 VanDerWaalsContact O-N 3.13Å; S68-T70 WeakPolarHBondContact OG-CA 3.22Å; S68-T70 PolarHBondContact OG-N 3.12Å; S68-T70 VanDerWaalsContact OG-N 3.12Å; S68-T70 PolarHBondContact OG-OG1 2.76Å; S68-F71 PolarHBondContact O-N 3.06Å; S68-F71 PolarHBondContact OG-N 2.78Å; S68-A72 PolarHBondContact N-O 2.89Å; S68-A72 PolarHBondContact OG-N 3Å; S68-A72 VanDerWaalsContact OG-N 3.14Å; S68-A72 PolarHBondContact OG-O 2.81Å; S68-F74 VanDerWaalsContact CB-CE2 3.41Å; S68-F74 WeakPolarHBondContact OG-CE2 3.34Å; S68-E111 WeakPolarHBondContact CA-OE2 3.47Å; S68-E111 WeakPolarHBondContact CB-OE2 3.19Å | ||
| 69 | S | 87.2 | Confident | 84.6 | Confident | 63 Ų | 63 | 39.4 Ų | 39.4 | 44% | 0.441 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -25 | 161.4 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | E111 | S69-E111 VanDerWaalsContact CB-OE1 3.25Å; S69-E111 WeakPolarHBondContact CB-OE1 3.39Å; S69-E111 PolarHBondContact N-OE1 2.94Å; S69-E111 VanDerWaalsContact N-OE1 3.16Å; S69-E111 PolarHBondContact N-OE2 3.39Å; S69-E111 PolarHBondContact OG-OE1 2.79Å |
| 70 | T | 87.1 | Confident | 85.1 | Confident | 90 Ų | 90 | 37 Ų | 37 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 13.3 | -179.6 | 43.9 | 0 | 0 | 0 | 0 | 113.8 | S68 A72 | S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 VanDerWaalsContact O-N 3.13Å; S68-T70 WeakPolarHBondContact OG-CA 3.22Å; S68-T70 PolarHBondContact OG-N 3.12Å; S68-T70 VanDerWaalsContact OG-N 3.12Å; S68-T70 PolarHBondContact OG-OG1 2.76Å; T70-A72 PolarHBondContact O-N 3.09Å; T70-A72 VanDerWaalsContact O-N 3.1Å |
| 71 | F | 85.9 | Confident | 84.8 | Confident | 117 Ų | 117 | 38.7 Ų | 38.7 | 51% | 0.513 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 57.3 | 19.8 | 177.8 | -65.1 | -92.6 | 0 | 0 | 0 | 115.7 | G39 A41 L67 S68 | G39-F71 WeakPolarHBondContact O-CE1 3.28Å; A41-F71 HydrophobicContact CB-CE1 4.41Å; A41-F71 HydrophobicContact CB-CE2 4.24Å; A41-F71 HydrophobicContact CB-CZ 3.98Å; L67-F71 HydrophobicContact CD2-CD1 3.99Å; S68-F71 PolarHBondContact O-N 3.06Å; S68-F71 PolarHBondContact OG-N 2.78Å |
| 72 | A | 87.9 | Confident | 84.4 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | trans | -88.2 | 151.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L67 S68 T70 F74 R575 | L67-A72 WeakPolarHBondContact CA-O 3.23Å; S68-A72 PolarHBondContact N-O 2.89Å; S68-A72 PolarHBondContact OG-N 3Å; S68-A72 VanDerWaalsContact OG-N 3.14Å; S68-A72 PolarHBondContact OG-O 2.81Å; T70-A72 PolarHBondContact O-N 3.09Å; T70-A72 VanDerWaalsContact O-N 3.1Å; A72-F74 VanDerWaalsContact C-CE2 3.49Å; A72-F74 HydrophobicContact CB-CE2 3.59Å; A72-F74 HydrophobicContact CB-CZ 3.94Å; A72-F74 WeakPolarHBondContact O-CD2 3.32Å; A72-F74 WeakPolarHBondContact O-CE2 3.15Å; A72-R575 HydrophobicContact CB-CG 4.34Å | ||
| 73 | C | 90.1 | Very high | 83.1 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 138 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | E32 Y66 G574 | E32-C73 HydrophobicContact CB-CB 4.3Å; E32-C73 HydrophobicContact CG-CB 3.65Å; Y66-C73 WeakPolarHBondContact O-CA 3.47Å; C73-G574 WeakPolarHBondContact O-CA 3.32Å |
| 74 | F | 91 | Very high | 82 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.1 | -176.3 | -62.7 | -97.3 | 0 | 0 | 0 | 109.3 | S65 Y66 S68 A72 F76 M108 S573 G574 | S65-F74 CarbonylContact C-O 3.46Å; S65-F74 VanDerWaalsContact CA-O 3.31Å; S65-F74 WeakPolarHBondContact CA-O 3.39Å; Y66-F74 HydrophobicContact CD1-CB 4.19Å; Y66-F74 HydrophobicContact CD1-CD2 4.11Å; Y66-F74 HydrophobicContact CD1-CG 4.32Å; Y66-F74 PolarHBondContact N-O 3.46Å; Y66-F74 PolarHBondContact O-N 3.17Å; S68-F74 VanDerWaalsContact CB-CE2 3.41Å; S68-F74 WeakPolarHBondContact OG-CE2 3.34Å; A72-F74 VanDerWaalsContact C-CE2 3.49Å; A72-F74 HydrophobicContact CB-CE2 3.59Å; A72-F74 HydrophobicContact CB-CZ 3.94Å; A72-F74 WeakPolarHBondContact O-CD2 3.32Å; A72-F74 WeakPolarHBondContact O-CE2 3.15Å; F74-F76 HydrophobicContact CB-CE2 3.86Å; F74-F76 HydrophobicContact CB-CZ 4.18Å; F74-M108 HydrophobicContact CD1-CE 3.41Å; F74-M108 VanDerWaalsContact CD1-CE 3.41Å; F74-M108 HydrophobicContact CD1-SD 3.32Å; F74-M108 WeakPolarHBondContact CD1-SD 3.28Å; F74-M108 HydrophobicContact CD2-SD 4.47Å; F74-M108 HydrophobicContact CE1-CE 3.25Å; F74-M108 HydrophobicContact CE1-SD 3.58Å; F74-M108 VanDerWaalsContact CE1-SD 3.58Å; F74-M108 HydrophobicContact CG-CE 4.49Å; F74-M108 HydrophobicContact CG-SD 3.87Å; F74-M108 HydrophobicContact CZ-CE 4.21Å; F74-M108 HydrophobicContact CZ-SD 4.27Å; F74-S573 VanDerWaalsContact CD1-C 3.42Å; F74-S573 WeakPolarHBondContact CD1-O 3.5Å; F74-S573 WeakPolarHBondContact CE1-O 3.46Å; F74-G574 VanDerWaalsContact CD1-CA 3.47Å; F74-G574 VanDerWaalsContact CE1-O 3.24Å; F74-G574 WeakPolarHBondContact CE1-O 3.18Å |
| 75 | H | 90.9 | Very high | 81 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 11% | 0.111 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.1 | 178.2 | -57.1 | -78.8 | 0 | 0 | 0 | 111.2 | R28 E32 V63 L64 S65 S573 | R28-H75 PolarHBondContact NE-CD2 2.99Å; R28-H75 VanDerWaalsContact NE-CD2 3.29Å; R28-H75 PolarHBondContact NE-NE2 2.91Å; E32-H75 WeakPolarHBondContact CG-NE2 3.35Å; E32-H75 IonicContact OE1-CD2 2.87Å; E32-H75 IonicContact OE1-NE2 3.07Å; E32-H75 PolarHBondContact OE1-NE2 2.95Å; V63-H75 HydrophobicContact CG1-CB 3.84Å; L64-H75 CarbonylContact O-C 3.51Å; L64-H75 WeakPolarHBondContact O-CA 3.34Å; S65-H75 VanDerWaalsContact CB-ND1 3.33Å; S65-H75 WeakPolarHBondContact CB-ND1 3.21Å; S65-H75 PolarHBondContact OG-ND1 3.25Å; H75-S573 PolarHBondContact N-OG 2.94Å; H75-S573 WeakPolarHBondContact O-CB 3.33Å; H75-S573 PolarHBondContact O-OG 3.43Å |
| 76 | F | 89.7 | Confident | 80.3 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 6% | 0.057 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.1 | 179.1 | -56.7 | -84.7 | 0 | 0 | 0 | 108.5 | V63 L64 F74 I87 I107 M108 Y572 | V63-F76 CarbonylContact C-O 3.52Å; V63-F76 WeakPolarHBondContact CA-O 3.48Å; L64-F76 HydrophobicContact CB-CB 4.36Å; L64-F76 PolarHBondContact N-O 2.81Å; L64-F76 PolarHBondContact O-N 2.89Å; F74-F76 HydrophobicContact CB-CE2 3.86Å; F74-F76 HydrophobicContact CB-CZ 4.18Å; F76-I87 HydrophobicContact CB-CD1 4.31Å; F76-I87 HydrophobicContact CB-CG2 4.32Å; F76-I87 HydrophobicContact CD1-CG2 4.46Å; F76-I107 HydrophobicContact CD2-CD1 3.91Å; F76-I107 HydrophobicContact CE1-CG1 4.44Å; F76-I107 HydrophobicContact CE2-CD1 3.8Å; F76-I107 HydrophobicContact CE2-CG1 4.19Å; F76-I107 HydrophobicContact CG-CD1 4.42Å; F76-I107 HydrophobicContact CZ-CD1 4.23Å; F76-I107 HydrophobicContact CZ-CG1 4.11Å; F76-M108 HydrophobicContact CE1-CG 4.46Å; F76-M108 HydrophobicContact CZ-CG 3.83Å; F76-M108 HydrophobicContact CZ-SD 3.97Å; F76-Y572 AromaticContact CE1-CD1 3.87Å; F76-Y572 HydrophobicContact CE1-CD1 3.87Å; F76-Y572 AromaticContact CE1-CE1 3.94Å; F76-Y572 HydrophobicContact CE1-CE1 3.94Å; F76-Y572 HydrophobicContact CZ-CD1 4.46Å |
| 77 | R | 86.4 | Confident | 79.8 | Confident | 182 Ų | 182 | 47.8 Ų | 47.8 | 69% | 0.687 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.4 | 174.8 | -52.5 | -175.8 | -160.5 | -175.9 | 6 | 108.5 | I61 | I61-R77 HydrophobicContact CG2-CB 4.34Å |
| 78 | L | 84.1 | Confident | 79.1 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 101.8 | 167.6 | -74.4 | 76.3 | 0 | 0 | 0 | 106.9 | L46 Y62 L64 P80 F85 I87 L95 | L46-L78 HydrophobicContact CD1-CD1 4.25Å; Y62-L78 PolarHBondContact O-N 2.82Å; L64-L78 HydrophobicContact CB-CD1 3.71Å; L78-P80 WeakPolarHBondContact O-CD 3.39Å; L78-F85 HydrophobicContact CB-CD1 4.2Å; L78-F85 HydrophobicContact CD2-CB 4.4Å; L78-F85 HydrophobicContact CD2-CD1 4.34Å; L78-F85 HydrophobicContact CD2-CG 4.49Å; L78-I87 HydrophobicContact CD1-CD1 3.69Å; L78-I87 HydrophobicContact CD1-CG1 4.07Å; L78-I87 HydrophobicContact CG-CD1 3.77Å; L78-I87 HydrophobicContact CG-CG1 3.72Å; L78-L95 HydrophobicContact CD2-CD1 3.61Å; L78-L95 HydrophobicContact CD2-CG 3.86Å |
| 79 | I | 74 | Confident | 78.1 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 30% | 0.297 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 118.9 | 178.3 | -57.1 | 172.6 | 0 | 0 | 0 | 107.7 | R81 Q86 | I79-R81 HydrophobicContact CG2-CG 4.47Å; I79-Q86 HydrophobicContact CB-CB 4.28Å; I79-Q86 PolarHBondContact N-O 3.19Å; I79-Q86 WeakPolarHBondContact O-CB 3.15Å; I79-Q86 PolarHBondContact O-N 3.25Å |
| 80 | P | 62.1 | Low | 77.5 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.6 | 174.2 | 27.6 | -33.3 | 0 | 0 | 0 | 110.6 | L78 | L78-P80 WeakPolarHBondContact O-CD 3.39Å |
| 81 | R | 60.6 | Low | 77 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 84.8 | -176.6 | -70 | -62.2 | -172.2 | -150.3 | -1.7 | 109.4 | I79 N83 C84 Q86 F91 | I79-R81 HydrophobicContact CG2-CG 4.47Å; R81-N83 PolarHBondContact O-N 3.02Å; R81-C84 CarbonylContact C-O 3.47Å; R81-C84 WeakPolarHBondContact CA-O 3.05Å; R81-C84 PolarHBondContact N-O 3.46Å; R81-C84 PolarHBondContact O-N 2.74Å; R81-C84 VanDerWaalsContact O-N 3.14Å; R81-C84 PolarHBondContact O-SG 2.85Å; R81-Q86 HydrophobicContact CG-CB 3.99Å; R81-Q86 VanDerWaalsContact NE-OE1 3.12Å; R81-F91 HydrophobicContact CG-CE1 4.31Å |
| 82 | F | 62.8 | Low | 76.5 | Confident | 106 Ų | 106 | 49 Ų | 49 | 47% | 0.465 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -130.9 | -169.4 | -42.4 | -65.9 | 0 | 0 | 0 | 109.4 | C84 N659 | F82-C84 PolarHBondContact O-N 3.04Å; F82-N659 HydrophobicContact CE1-CB 3.84Å; F82-N659 HydrophobicContact CZ-CB 4.36Å |
| 83 | N | 57.6 | Low | 75.4 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 35.3 | 176.3 | -66 | 5.1 | 0 | 0 | 0 | 113.9 | R81 G142 H175 | R81-N83 PolarHBondContact O-N 3.02Å; N83-G142 PolarHBondContact ND2-O 2.85Å; N83-H175 VanDerWaalsContact C-NE2 3.31Å; N83-H175 PolarHBondContact O-CE1 3.35Å; N83-H175 PolarHBondContact O-NE2 3.17Å |
| 84 | C | 66.4 | Low | 74.6 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.8 | 169.4 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | R81 F82 F92 | R81-C84 CarbonylContact C-O 3.47Å; R81-C84 WeakPolarHBondContact CA-O 3.05Å; R81-C84 PolarHBondContact N-O 3.46Å; R81-C84 PolarHBondContact O-N 2.74Å; R81-C84 VanDerWaalsContact O-N 3.14Å; R81-C84 PolarHBondContact O-SG 2.85Å; F82-C84 PolarHBondContact O-N 3.04Å; C84-F92 CarbonylContact C-O 3.59Å; C84-F92 WeakPolarHBondContact CA-O 3.44Å; C84-F92 VanDerWaalsContact CB-O 3.24Å; C84-F92 WeakPolarHBondContact CB-O 3.35Å |
| 85 | F | 68.6 | Low | 73.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.7 | 174.6 | -66.4 | -87.1 | 0 | 0 | 0 | 110.2 | Y62 L78 F91 F92 L95 S173 R174 H175 | Y62-F85 HydrophobicContact CD2-CE1 4.01Å; Y62-F85 HydrophobicContact CE2-CE1 4.3Å; L78-F85 HydrophobicContact CB-CD1 4.2Å; L78-F85 HydrophobicContact CD2-CB 4.4Å; L78-F85 HydrophobicContact CD2-CD1 4.34Å; L78-F85 HydrophobicContact CD2-CG 4.49Å; F85-F91 CarbonylContact O-C 3.56Å; F85-F91 WeakPolarHBondContact O-CA 3.47Å; F85-F92 PolarHBondContact N-O 2.71Å; F85-F92 PolarHBondContact O-N 3.08Å; F85-L95 HydrophobicContact CD2-CB 4.33Å; F85-L95 HydrophobicContact CE2-CB 4.21Å; F85-S173 WeakPolarHBondContact CE2-O 3.49Å; F85-R174 HydrophobicContact CZ-CB 3.82Å; F85-H175 AromaticContact CD2-NE2 3.89Å; F85-H175 AromaticContact CE2-CD2 3.54Å; F85-H175 AromaticContact CE2-NE2 3.41Å; F85-H175 WeakPolarHBondContact CE2-NE2 3.4Å; F85-H175 AromaticContact CZ-CD2 3.91Å |
| 86 | Q | 78.8 | Confident | 73.3 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.8 | 177.4 | -178.3 | -174.1 | -4.9 | 0 | 0 | 110.4 | I79 R81 G88 R90 F91 | I79-Q86 HydrophobicContact CB-CB 4.28Å; I79-Q86 PolarHBondContact N-O 3.19Å; I79-Q86 WeakPolarHBondContact O-CB 3.15Å; I79-Q86 PolarHBondContact O-N 3.25Å; R81-Q86 HydrophobicContact CG-CB 3.99Å; R81-Q86 VanDerWaalsContact NE-OE1 3.12Å; Q86-G88 WeakPolarHBondContact CG-O 3.45Å; Q86-G88 PolarHBondContact NE2-O 3.21Å; Q86-R90 CarbonylContact C-O 3.51Å; Q86-R90 VanDerWaalsContact CA-O 3.3Å; Q86-R90 WeakPolarHBondContact CA-O 3.27Å; Q86-F91 HydrophobicContact CB-CD1 4.03Å; Q86-F91 HydrophobicContact CB-CE1 4.09Å; Q86-F91 HydrophobicContact CG-CD1 4.25Å; Q86-F91 HydrophobicContact CG-CE1 4.01Å |
| 87 | I | 82.6 | Confident | 72.9 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.2 | 162 | -66.3 | -167.1 | 0 | 0 | 0 | 108.4 | L64 F76 L78 G89 R90 F92 C98 Y102 | L64-I87 HydrophobicContact CD2-CD1 4.47Å; F76-I87 HydrophobicContact CB-CD1 4.31Å; F76-I87 HydrophobicContact CB-CG2 4.32Å; F76-I87 HydrophobicContact CD1-CG2 4.46Å; L78-I87 HydrophobicContact CD1-CD1 3.69Å; L78-I87 HydrophobicContact CD1-CG1 4.07Å; L78-I87 HydrophobicContact CG-CD1 3.77Å; L78-I87 HydrophobicContact CG-CG1 3.72Å; I87-G89 PolarHBondContact O-N 3.48Å; I87-G89 VanDerWaalsContact O-N 3.12Å; I87-R90 PolarHBondContact N-O 2.71Å; I87-R90 PolarHBondContact O-N 3.46Å; I87-F92 HydrophobicContact CB-CE2 4.27Å; I87-C98 WeakPolarHBondContact CD1-SG 3.48Å; I87-Y102 HydrophobicContact CD1-CE2 4.2Å |
| 88 | G | 75.8 | Confident | 72.7 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -116 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q86 | Q86-G88 WeakPolarHBondContact CG-O 3.45Å; Q86-G88 PolarHBondContact NE2-O 3.21Å |
| 89 | G | 69.6 | Low | 72.8 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | I87 | I87-G89 PolarHBondContact O-N 3.48Å; I87-G89 VanDerWaalsContact O-N 3.12Å |
| 90 | R | 74.8 | Confident | 73.2 | Confident | 101 Ų | 101 | 48.2 Ų | 48.2 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.4 | -179.8 | -64.7 | -178 | -176.9 | 161.5 | 3.1 | 111.1 | Q86 I87 F92 Y102 | Q86-R90 CarbonylContact C-O 3.51Å; Q86-R90 VanDerWaalsContact CA-O 3.3Å; Q86-R90 WeakPolarHBondContact CA-O 3.27Å; I87-R90 PolarHBondContact N-O 2.71Å; I87-R90 PolarHBondContact O-N 3.46Å; R90-F92 HydrophobicContact CB-CE2 3.75Å; R90-F92 HydrophobicContact CB-CZ 3.88Å; R90-Y102 VanDerWaalsContact NH1-CE1 3.31Å; R90-Y102 PolarHBondContact NH1-OH 3.18Å |
| 91 | F | 77.4 | Confident | 74.3 | Confident | 84 Ų | 84 | 48 Ų | 48 | 37% | 0.368 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 149.7 | 174 | -58.8 | -86.1 | 0 | 0 | 0 | 110.2 | R81 F85 Q86 | R81-F91 HydrophobicContact CG-CE1 4.31Å; F85-F91 CarbonylContact O-C 3.56Å; F85-F91 WeakPolarHBondContact O-CA 3.47Å; Q86-F91 HydrophobicContact CB-CD1 4.03Å; Q86-F91 HydrophobicContact CB-CE1 4.09Å; Q86-F91 HydrophobicContact CG-CD1 4.25Å; Q86-F91 HydrophobicContact CG-CE1 4.01Å |
| 92 | F | 75.1 | Confident | 75.6 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 127.8 | -178.6 | -59.4 | -82.7 | 0 | 0 | 0 | 110.8 | C84 F85 I87 R90 S94 C98 R101 Y102 | C84-F92 CarbonylContact C-O 3.59Å; C84-F92 WeakPolarHBondContact CA-O 3.44Å; C84-F92 VanDerWaalsContact CB-O 3.24Å; C84-F92 WeakPolarHBondContact CB-O 3.35Å; F85-F92 PolarHBondContact N-O 2.71Å; F85-F92 PolarHBondContact O-N 3.08Å; I87-F92 HydrophobicContact CB-CE2 4.27Å; R90-F92 HydrophobicContact CB-CE2 3.75Å; R90-F92 HydrophobicContact CB-CZ 3.88Å; F92-S94 PolarHBondContact O-N 3.19Å; F92-C98 HydrophobicContact CB-CB 3.97Å; F92-C98 HydrophobicContact CD1-CB 4.11Å; F92-C98 HydrophobicContact CD2-CB 3.86Å; F92-C98 WeakPolarHBondContact CD2-SG 3.38Å; F92-C98 HydrophobicContact CE2-CB 4.36Å; F92-C98 VanDerWaalsContact CE2-SG 3.52Å; F92-C98 HydrophobicContact CG-CB 3.71Å; F92-R101 HydrophobicContact CE1-CB 3.72Å; F92-R101 HydrophobicContact CE1-CG 3.9Å; F92-R101 HydrophobicContact CZ-CB 4.47Å; F92-R101 HydrophobicContact CZ-CG 4.43Å; F92-Y102 AromaticContact CE2-CE2 3.93Å; F92-Y102 HydrophobicContact CE2-CE2 3.93Å; F92-Y102 HydrophobicContact CZ-CD2 4.42Å; F92-Y102 AromaticContact CZ-CE2 3.58Å; F92-Y102 HydrophobicContact CZ-CE2 3.58Å; F92-Y102 AromaticContact CZ-CZ 3.99Å |
| 93 | D | 65.3 | Low | 76.7 | Confident | 137 Ų | 137 | 40.5 Ų | 40.5 | 73% | 0.733 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -69.4 | -6.4 | -174.5 | -42.6 | -44.8 | 0 | 0 | 0 | 114 | H175 | D93-H175 PolarHBondContact O-CE1 2.75Å; D93-H175 VanDerWaalsContact O-CE1 3.26Å |
| 94 | S | 73.9 | Confident | 77.9 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -161.4 | 164.8 | 171.9 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | F92 D96 G97 C98 | F92-S94 PolarHBondContact O-N 3.19Å; S94-D96 VanDerWaalsContact C-N 3.34Å; S94-G97 PolarHBondContact O-N 3.26Å; S94-G97 PolarHBondContact OG-N 3.08Å; S94-C98 PolarHBondContact O-N 3.04Å |
| 95 | L | 76 | Confident | 78.8 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -34.4 | 175.3 | -161.3 | 144.3 | 0 | 0 | 0 | 112.1 | Y21 L46 Y62 L78 F85 C98 L99 | Y21-L95 HydrophobicContact CE2-CD2 4.17Å; L46-L95 HydrophobicContact CD1-CD1 4.43Å; L46-L95 HydrophobicContact CD2-CD1 3.55Å; L46-L95 HydrophobicContact CD2-CD2 3.74Å; L46-L95 HydrophobicContact CD2-CG 4.29Å; Y62-L95 HydrophobicContact CD1-CD1 4.46Å; L78-L95 HydrophobicContact CD2-CD1 3.61Å; L78-L95 HydrophobicContact CD2-CG 3.86Å; F85-L95 HydrophobicContact CD2-CB 4.33Å; F85-L95 HydrophobicContact CE2-CB 4.21Å; L95-C98 VanDerWaalsContact O-CB 3.23Å; L95-C98 WeakPolarHBondContact O-CB 3.45Å; L95-C98 PolarHBondContact O-N 3.19Å; L95-L99 HydrophobicContact CD2-CD1 3.79Å; L95-L99 HydrophobicContact CD2-CG 4.22Å; L95-L99 PolarHBondContact O-N 3.36Å |
| 96 | D | 78.5 | Confident | 79.6 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 171.7 | -69.7 | -27.6 | 0 | 0 | 0 | 112.1 | S94 C98 L99 S100 | S94-D96 VanDerWaalsContact C-N 3.34Å; D96-C98 PolarHBondContact O-N 3.21Å; D96-L99 PolarHBondContact O-N 3.26Å; D96-S100 WeakPolarHBondContact O-CB 3.35Å; D96-S100 PolarHBondContact O-N 3.16Å |
| 97 | G | 79.9 | Confident | 79.9 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.3 | -34 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S94 R101 | S94-G97 PolarHBondContact O-N 3.26Å; S94-G97 PolarHBondContact OG-N 3.08Å; G97-R101 PolarHBondContact O-N 2.91Å |
| 98 | C | 83.8 | Confident | 80 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -51.7 | 172 | -164.4 | 0 | 0 | 0 | 0 | 111.8 | I87 F92 S94 L95 D96 R101 Y102 | I87-C98 WeakPolarHBondContact CD1-SG 3.48Å; F92-C98 HydrophobicContact CB-CB 3.97Å; F92-C98 HydrophobicContact CD1-CB 4.11Å; F92-C98 HydrophobicContact CD2-CB 3.86Å; F92-C98 WeakPolarHBondContact CD2-SG 3.38Å; F92-C98 HydrophobicContact CE2-CB 4.36Å; F92-C98 VanDerWaalsContact CE2-SG 3.52Å; F92-C98 HydrophobicContact CG-CB 3.71Å; S94-C98 PolarHBondContact O-N 3.04Å; L95-C98 VanDerWaalsContact O-CB 3.23Å; L95-C98 WeakPolarHBondContact O-CB 3.45Å; L95-C98 PolarHBondContact O-N 3.19Å; D96-C98 PolarHBondContact O-N 3.21Å; C98-R101 PolarHBondContact O-N 2.83Å; C98-Y102 WeakPolarHBondContact O-CD2 3.35Å; C98-Y102 PolarHBondContact O-N 3.01Å |
| 99 | L | 85 | Confident | 80.1 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | -179.6 | -67.6 | 171.9 | 0 | 0 | 0 | 112.4 | L15 Y21 Y44 L64 L95 D96 R101 Y102 Y103 L113 | L15-L99 HydrophobicContact CD2-CB 4.1Å; Y21-L99 HydrophobicContact CE1-CD1 3.83Å; Y21-L99 HydrophobicContact CE2-CD1 3.66Å; Y21-L99 WeakPolarHBondContact OH-CD1 3.22Å; Y44-L99 HydrophobicContact CE2-CD2 3.98Å; L64-L99 HydrophobicContact CD1-CD2 4.43Å; L95-L99 HydrophobicContact CD2-CD1 3.79Å; L95-L99 HydrophobicContact CD2-CG 4.22Å; L95-L99 PolarHBondContact O-N 3.36Å; D96-L99 PolarHBondContact O-N 3.26Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.03Å; L99-Y102 CarbonylContact O-C 3.47Å; L99-Y102 PolarHBondContact O-N 3.22Å; L99-Y103 PolarHBondContact O-N 3.13Å; L99-L113 HydrophobicContact CD2-CD1 3.54Å |
| 100 | S | 83.4 | Confident | 80.5 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.1 | -43.9 | 176.4 | -170.6 | 0 | 0 | 0 | 0 | 112 | C10 D96 Y102 T104 | C10-S100 PolarHBondContact O-OG 2.84Å; D96-S100 WeakPolarHBondContact O-CB 3.35Å; D96-S100 PolarHBondContact O-N 3.16Å; S100-Y102 VanDerWaalsContact C-N 3.28Å; S100-Y102 PolarHBondContact O-N 3.47Å; S100-T104 WeakPolarHBondContact O-CG2 3.26Å; S100-T104 PolarHBondContact O-N 3.44Å; S100-T104 VanDerWaalsContact O-N 3.1Å; S100-T104 PolarHBondContact O-OG1 3.16Å |
| 101 | R | 84 | Confident | 81.1 | Confident | 63 Ų | 63 | 44.3 Ų | 44.3 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -32.4 | 176.6 | -172.7 | 63.4 | 169.4 | -164.3 | 0.6 | 112.6 | E3 D8 F92 G97 C98 L99 T104 R105 | E3-R101 IonicContact OE2-NH2 3.71Å; D8-R101 IonicContact OD2-NH1 2.84Å; F92-R101 HydrophobicContact CE1-CB 3.72Å; F92-R101 HydrophobicContact CE1-CG 3.9Å; F92-R101 HydrophobicContact CZ-CB 4.47Å; F92-R101 HydrophobicContact CZ-CG 4.43Å; G97-R101 PolarHBondContact O-N 2.91Å; C98-R101 PolarHBondContact O-N 2.83Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.03Å; R101-T104 WeakPolarHBondContact CA-OG1 3.25Å; R101-T104 PolarHBondContact O-OG1 3.4Å; R101-R105 WeakPolarHBondContact O-CA 3.31Å; R101-R105 WeakPolarHBondContact O-CB 3.34Å; R101-R105 PolarHBondContact O-N 3.34Å |
| 102 | Y | 88.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -96.3 | -8.2 | -175.6 | -69.6 | -56.8 | 0 | 0 | 0 | 115.3 | I87 R90 F92 C98 L99 S100 R105 I107 L113 | I87-Y102 HydrophobicContact CD1-CE2 4.2Å; R90-Y102 VanDerWaalsContact NH1-CE1 3.31Å; R90-Y102 PolarHBondContact NH1-OH 3.18Å; F92-Y102 AromaticContact CE2-CE2 3.93Å; F92-Y102 HydrophobicContact CE2-CE2 3.93Å; F92-Y102 HydrophobicContact CZ-CD2 4.42Å; F92-Y102 AromaticContact CZ-CE2 3.58Å; F92-Y102 HydrophobicContact CZ-CE2 3.58Å; F92-Y102 AromaticContact CZ-CZ 3.99Å; C98-Y102 WeakPolarHBondContact O-CD2 3.35Å; C98-Y102 PolarHBondContact O-N 3.01Å; L99-Y102 CarbonylContact O-C 3.47Å; L99-Y102 PolarHBondContact O-N 3.22Å; S100-Y102 VanDerWaalsContact C-N 3.28Å; S100-Y102 PolarHBondContact O-N 3.47Å; Y102-R105 CarbonylContact C-O 3.57Å; Y102-R105 WeakPolarHBondContact CA-O 3.43Å; Y102-I107 HydrophobicContact CD1-CB 3.46Å; Y102-I107 VanDerWaalsContact CD1-CB 3.46Å; Y102-I107 HydrophobicContact CD1-CD1 4.34Å; Y102-I107 HydrophobicContact CD1-CG1 3.7Å; Y102-I107 HydrophobicContact CD2-CD1 4.35Å; Y102-I107 HydrophobicContact CD2-CG1 4.46Å; Y102-I107 HydrophobicContact CE1-CB 3.96Å; Y102-I107 HydrophobicContact CE1-CG1 3.84Å; Y102-I107 HydrophobicContact CG-CB 3.97Å; Y102-I107 HydrophobicContact CG-CD1 4.13Å; Y102-I107 HydrophobicContact CG-CG1 4Å; Y102-L113 PolarHBondContact O-N 3.09Å |
| 103 | Y | 87 | Confident | 82.2 | Confident | 51 Ų | 51 | 44 Ų | 44 | 20% | 0.2 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.8 | -48.3 | 155.5 | -95 | -100.6 | 0 | 0 | 0 | 111 | I12 L15 Y44 L99 L113 K114 | I12-Y103 HydrophobicContact CD1-CG 4.39Å; L15-Y103 HydrophobicContact CD2-CD2 4.04Å; L15-Y103 HydrophobicContact CD2-CE2 4.26Å; Y44-Y103 AromaticContact CE1-CE2 3.87Å; Y44-Y103 HydrophobicContact CE1-CE2 3.87Å; Y44-Y103 PolarHBondContact OH-OH 3.02Å; L99-Y103 PolarHBondContact O-N 3.13Å; Y103-L113 HydrophobicContact CD2-CB 3.84Å; Y103-L113 HydrophobicContact CE2-CB 3.9Å; Y103-K114 PolarHBondContact OH-O 3.3Å |
| 104 | T | 81.9 | Confident | 83.2 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 32% | 0.319 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -77.2 | -28.7 | -174.7 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | I12 S100 R101 R112 | I12-T104 HydrophobicContact CD1-CG2 3.67Å; I12-T104 HydrophobicContact CG1-CG2 4.15Å; S100-T104 WeakPolarHBondContact O-CG2 3.26Å; S100-T104 PolarHBondContact O-N 3.44Å; S100-T104 VanDerWaalsContact O-N 3.1Å; S100-T104 PolarHBondContact O-OG1 3.16Å; R101-T104 WeakPolarHBondContact CA-OG1 3.25Å; R101-T104 PolarHBondContact O-OG1 3.4Å; T104-R112 PolarHBondContact O-NH1 3.21Å |
| 105 | R | 85.3 | Confident | 83.9 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 28% | 0.275 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -137.8 | 160.6 | -179.3 | -56.6 | -160 | -171.2 | -166.4 | 8.8 | 112 | E3 D8 R101 Y102 I107 | E3-R105 IonicContact OE1-CZ 3.5Å; E3-R105 VanDerWaalsContact OE1-CZ 3.27Å; E3-R105 IonicContact OE1-NH1 3.69Å; E3-R105 PolarHBondContact OE1-NH1 3.46Å; E3-R105 IonicContact OE1-NH2 2.74Å; E3-R105 PolarHBondContact OE1-NH2 3.27Å; E3-R105 IonicContact OE2-CZ 3.06Å; E3-R105 IonicContact OE2-NH1 3.93Å; E3-R105 PolarHBondContact OE2-NH1 3.24Å; E3-R105 IonicContact OE2-NH2 3.21Å; D8-R105 IonicContact OD2-CZ 2.71Å; D8-R105 IonicContact OD2-NH2 2.67Å; D8-R105 PolarHBondContact OD2-NH2 3.49Å; R101-R105 WeakPolarHBondContact O-CA 3.31Å; R101-R105 WeakPolarHBondContact O-CB 3.34Å; R101-R105 PolarHBondContact O-N 3.34Å; Y102-R105 CarbonylContact C-O 3.57Å; Y102-R105 WeakPolarHBondContact CA-O 3.43Å; R105-I107 PolarHBondContact O-N 3.07Å |
| 106 | D | 85.2 | Confident | 84.6 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -52.8 | 123.9 | -177.5 | -69.8 | 37.3 | 0 | 0 | 0 | 113.2 | M108 G110 E111 R112 | D106-M108 WeakPolarHBondContact CB-O 3.38Å; D106-G110 WeakPolarHBondContact OD2-CA 3.49Å; D106-G110 PolarHBondContact OD2-N 2.84Å; D106-E111 CarbonylContact C-O 3.5Å; D106-E111 VanDerWaalsContact CA-O 3.32Å; D106-E111 WeakPolarHBondContact CA-O 3.42Å; D106-R112 IonicContact OD1-CZ 2.76Å; D106-R112 IonicContact OD1-NE 3.82Å; D106-R112 PolarHBondContact OD1-NE 3.42Å; D106-R112 IonicContact OD1-NH2 2.69Å; D106-R112 PolarHBondContact OD1-NH2 3.33Å | ||
| 107 | I | 85.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -82.1 | -35.3 | 168.1 | -168.9 | 168.4 | 0 | 0 | 0 | 111.3 | L64 F76 Y102 R105 E111 L113 Y572 | L64-I107 HydrophobicContact CD2-CD1 3.75Å; F76-I107 HydrophobicContact CD2-CD1 3.91Å; F76-I107 HydrophobicContact CE1-CG1 4.44Å; F76-I107 HydrophobicContact CE2-CD1 3.8Å; F76-I107 HydrophobicContact CE2-CG1 4.19Å; F76-I107 HydrophobicContact CG-CD1 4.42Å; F76-I107 HydrophobicContact CZ-CD1 4.23Å; F76-I107 HydrophobicContact CZ-CG1 4.11Å; Y102-I107 HydrophobicContact CD1-CB 3.46Å; Y102-I107 VanDerWaalsContact CD1-CB 3.46Å; Y102-I107 HydrophobicContact CD1-CD1 4.34Å; Y102-I107 HydrophobicContact CD1-CG1 3.7Å; Y102-I107 HydrophobicContact CD2-CD1 4.35Å; Y102-I107 HydrophobicContact CD2-CG1 4.46Å; Y102-I107 HydrophobicContact CE1-CB 3.96Å; Y102-I107 HydrophobicContact CE1-CG1 3.84Å; Y102-I107 HydrophobicContact CG-CB 3.97Å; Y102-I107 HydrophobicContact CG-CD1 4.13Å; Y102-I107 HydrophobicContact CG-CG1 4Å; R105-I107 PolarHBondContact O-N 3.07Å; I107-E111 HydrophobicContact CG2-CB 4.31Å; I107-E111 PolarHBondContact N-O 2.88Å; I107-L113 HydrophobicContact CD1-CD2 4.08Å; I107-L113 HydrophobicContact CD1-CG 4.43Å; I107-Y572 WeakPolarHBondContact O-CE1 3.17Å; I107-Y572 VanDerWaalsContact O-CZ 3.29Å; I107-Y572 PolarHBondContact O-OH 3.49Å |
| 108 | M | 83.7 | Confident | 84.8 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -133.7 | 167.4 | 162.3 | -43.5 | 173.6 | 68.2 | 0 | 0 | 107.4 | F74 F76 D106 G110 E111 Y572 | F74-M108 HydrophobicContact CD1-CE 3.41Å; F74-M108 VanDerWaalsContact CD1-CE 3.41Å; F74-M108 HydrophobicContact CD1-SD 3.32Å; F74-M108 WeakPolarHBondContact CD1-SD 3.28Å; F74-M108 HydrophobicContact CD2-SD 4.47Å; F74-M108 HydrophobicContact CE1-CE 3.25Å; F74-M108 HydrophobicContact CE1-SD 3.58Å; F74-M108 VanDerWaalsContact CE1-SD 3.58Å; F74-M108 HydrophobicContact CG-CE 4.49Å; F74-M108 HydrophobicContact CG-SD 3.87Å; F74-M108 HydrophobicContact CZ-CE 4.21Å; F74-M108 HydrophobicContact CZ-SD 4.27Å; F76-M108 HydrophobicContact CE1-CG 4.46Å; F76-M108 HydrophobicContact CZ-CG 3.83Å; F76-M108 HydrophobicContact CZ-SD 3.97Å; D106-M108 WeakPolarHBondContact CB-O 3.38Å; M108-G110 PolarHBondContact O-N 2.95Å; M108-E111 HydrophobicContact CB-CB 3.9Å; M108-E111 HydrophobicContact CB-CG 4.1Å; M108-E111 HydrophobicContact CG-CB 4.37Å; M108-E111 PolarHBondContact N-O 3.25Å; M108-E111 PolarHBondContact O-N 2.85Å; M108-Y572 HydrophobicContact CB-CD1 4.21Å; M108-Y572 HydrophobicContact CB-CE1 4.41Å; M108-Y572 HydrophobicContact CE-CD1 4.05Å; M108-Y572 HydrophobicContact CE-CG 4.17Å; M108-Y572 HydrophobicContact CG-CD1 3.7Å; M108-Y572 HydrophobicContact CG-CE1 4.01Å; M108-Y572 HydrophobicContact CG-CG 4.46Å |
| 109 | T | 77.8 | Confident | 84.4 | Confident | 130 Ų | 130 | 43.7 Ų | 43.7 | 80% | 0.798 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 105.9 | -178.2 | -30.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 110 | G | 79.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 63% | 0.629 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -5.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | D106 M108 | D106-G110 WeakPolarHBondContact OD2-CA 3.49Å; D106-G110 PolarHBondContact OD2-N 2.84Å; M108-G110 PolarHBondContact O-N 2.95Å |
| 111 | E | 86 | Confident | 82.1 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -106.7 | 140.1 | -175.6 | -64.7 | -75.5 | 156.6 | 0 | 0 | 111.1 | Y66 S68 S69 D106 I107 M108 | Y66-E111 HydrophobicContact CE1-CB 4.11Å; Y66-E111 HydrophobicContact CE1-CG 4.44Å; Y66-E111 WeakPolarHBondContact CE1-OE2 3.45Å; Y66-E111 PolarHBondContact OH-OE2 3.07Å; S68-E111 WeakPolarHBondContact CA-OE2 3.47Å; S68-E111 WeakPolarHBondContact CB-OE2 3.19Å; S69-E111 VanDerWaalsContact CB-OE1 3.25Å; S69-E111 WeakPolarHBondContact CB-OE1 3.39Å; S69-E111 PolarHBondContact N-OE1 2.94Å; S69-E111 VanDerWaalsContact N-OE1 3.16Å; S69-E111 PolarHBondContact N-OE2 3.39Å; S69-E111 PolarHBondContact OG-OE1 2.79Å; D106-E111 CarbonylContact C-O 3.5Å; D106-E111 VanDerWaalsContact CA-O 3.32Å; D106-E111 WeakPolarHBondContact CA-O 3.42Å; I107-E111 HydrophobicContact CG2-CB 4.31Å; I107-E111 PolarHBondContact N-O 2.88Å; M108-E111 HydrophobicContact CB-CB 3.9Å; M108-E111 HydrophobicContact CB-CG 4.1Å; M108-E111 HydrophobicContact CG-CB 4.37Å; M108-E111 PolarHBondContact N-O 3.25Å; M108-E111 PolarHBondContact O-N 2.85Å |
| 112 | R | 87.8 | Confident | 80.6 | Confident | 96 Ų | 96 | 47 Ų | 47 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | trans | -146.4 | 150.1 | -177.4 | -67.2 | -176 | -177.3 | -155 | -4.6 | 111.6 | N42 Y66 T104 D106 | N42-R112 WeakPolarHBondContact CB-O 3.49Å; Y66-R112 PolarHBondContact OH-N 3.19Å; Y66-R112 PolarHBondContact OH-O 2.82Å; T104-R112 PolarHBondContact O-NH1 3.21Å; D106-R112 IonicContact OD1-CZ 2.76Å; D106-R112 IonicContact OD1-NE 3.82Å; D106-R112 PolarHBondContact OD1-NE 3.42Å; D106-R112 IonicContact OD1-NH2 2.69Å; D106-R112 PolarHBondContact OD1-NH2 3.33Å | ||
| 113 | L | 89 | Confident | 79.1 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -67.1 | 134.7 | 172.3 | -55.9 | -178.3 | 0 | 0 | 0 | 110.1 | Y44 L64 Y66 L99 Y102 Y103 I107 | Y44-L113 HydrophobicContact CD1-CB 4.05Å; Y44-L113 HydrophobicContact CD1-CD2 4.08Å; Y44-L113 HydrophobicContact CD1-CG 4.49Å; Y44-L113 HydrophobicContact CE1-CB 4.13Å; Y44-L113 HydrophobicContact CG-CD2 4.01Å; L64-L113 HydrophobicContact CD2-CD1 4.14Å; L64-L113 HydrophobicContact CD2-CD2 4.35Å; Y66-L113 HydrophobicContact CD2-CD2 3.58Å; Y66-L113 HydrophobicContact CE2-CD2 3.97Å; Y66-L113 HydrophobicContact CG-CD2 4.45Å; L99-L113 HydrophobicContact CD2-CD1 3.54Å; Y102-L113 PolarHBondContact O-N 3.09Å; Y103-L113 HydrophobicContact CD2-CB 3.84Å; Y103-L113 HydrophobicContact CE2-CB 3.9Å; I107-L113 HydrophobicContact CD1-CD2 4.08Å; I107-L113 HydrophobicContact CD1-CG 4.43Å | ||
| 114 | K | 86.3 | Confident | 77.4 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | trans | -139 | -47.3 | 175.8 | -66.9 | -175.7 | -179 | 173.8 | 0 | 113.7 | N42 Y103 | N42-K114 HydrophobicContact CB-CB 4.1Å; N42-K114 HydrophobicContact CB-CD 4.01Å; N42-K114 HydrophobicContact CB-CG 4.11Å; N42-K114 PolarHBondContact O-N 2.84Å; Y103-K114 PolarHBondContact OH-O 3.3Å | ||
| 115 | H | 88.9 | Confident | 76.1 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 38% | 0.375 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 100.7 | -165.8 | -59.5 | -66.4 | 0 | 0 | 0 | 111.7 | I40 N42 S43 Y44 | I40-H115 HydrophobicContact CG2-CB 3.83Å; I40-H115 VanDerWaalsContact CG2-CD2 3.46Å; I40-H115 WeakPolarHBondContact CG2-CD2 3.49Å; N42-H115 PolarHBondContact O-N 3.29Å; S43-H115 CarbonylContact C-O 3.57Å; S43-H115 WeakPolarHBondContact CA-O 3.22Å; S43-H115 WeakPolarHBondContact CB-O 3.43Å; Y44-H115 PolarHBondContact N-O 2.86Å |
| 116 | P | 89.3 | Confident | 74.4 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 138.4 | 173.6 | 30.7 | -37.4 | 0 | 0 | 0 | 110.4 | P16 Y44 | P16-P116 HydrophobicContact CB-CB 4.18Å; P16-P116 HydrophobicContact CB-CG 3.93Å; P16-P116 HydrophobicContact CG-CB 4.21Å; P16-P116 HydrophobicContact CG-CG 3.69Å; Y44-P116 HydrophobicContact CE1-CB 4.09Å; Y44-P116 HydrophobicContact CE2-CB 4.48Å |
| 117 | I | 85.3 | Confident | 72.7 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 117 | 168.8 | -65.6 | -178.2 | 0 | 0 | 0 | 108.7 | Q20 H23 L35 F38 Y44 L45 | Q20-I117 CarbonylContact O-C 3.53Å; Q20-I117 VanDerWaalsContact O-C 3.24Å; H23-I117 VanDerWaalsContact CE1-CG2 3.46Å; H23-I117 WeakPolarHBondContact CE1-CG2 3.32Å; H23-I117 PolarHBondContact NE2-O 2.86Å; L35-I117 HydrophobicContact CB-CD1 4.49Å; L35-I117 HydrophobicContact CD2-CD1 3.69Å; L35-I117 HydrophobicContact CG-CD1 4.26Å; F38-I117 HydrophobicContact CB-CD1 3.75Å; F38-I117 HydrophobicContact CB-CG1 4.36Å; F38-I117 HydrophobicContact CD1-CG1 4.42Å; F38-I117 HydrophobicContact CD2-CD1 4.19Å; F38-I117 HydrophobicContact CD2-CG1 4.41Å; F38-I117 HydrophobicContact CD2-CG2 3.77Å; F38-I117 HydrophobicContact CE2-CG2 3.75Å; F38-I117 HydrophobicContact CG-CD1 3.97Å; F38-I117 HydrophobicContact CG-CG1 4.15Å; F38-I117 HydrophobicContact CG-CG2 4.34Å; F38-I117 HydrophobicContact CZ-CG2 4.3Å; Y44-I117 PolarHBondContact O-N 2.84Å; L45-I117 HydrophobicContact CB-CB 4.47Å |
| 118 | P | 79.1 | Confident | 70.9 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 153.6 | 177.9 | 29.7 | -34.4 | 0 | 0 | 0 | 111.9 | Q20 H23 | Q20-P118 WeakPolarHBondContact O-CA 3.23Å; Q20-P118 VanDerWaalsContact O-N 3.14Å; H23-P118 PolarHBondContact CE1-O 3.44Å; H23-P118 PolarHBondContact NE2-O 2.85Å |
| 119 | P | 73.4 | Confident | 69.5 | Low | 16 Ų | 16 | 51.5 Ų | 51.5 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 151.1 | 177 | 35.5 | -39 | 0 | 0 | 0 | 111.5 | E19 Y22 H23 S121 | E19-P119 WeakPolarHBondContact O-CD 3.37Å; Y22-P119 WeakPolarHBondContact O-CG 3.39Å; H23-P119 HydrophobicContact CB-CB 4.41Å; P119-S121 WeakPolarHBondContact CB-O 3.21Å; P119-S121 PolarHBondContact O-N 2.88Å |
| 120 | T | 66.2 | Low | 69 | Low | 46 Ų | 46 | 46.4 Ų | 46.4 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -68.1 | 1.5 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | R34 Y340 | R34-T120 PolarHBondContact NH1-OG1 2.81Å; R34-T120 VanDerWaalsContact NH1-OG1 3.09Å; R34-T120 PolarHBondContact NH2-OG1 2.83Å; T120-Y340 WeakPolarHBondContact O-CD1 3.41Å; T120-Y340 WeakPolarHBondContact O-CE1 3.13Å |
| 121 | S | 54.8 | Low | 68.9 | Low | 39 Ų | 39 | 43.7 Ų | 43.7 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 177.7 | 140 | -166.9 | 48.1 | 0 | 0 | 0 | 0 | 106.8 | P119 S251 | P119-S121 WeakPolarHBondContact CB-O 3.21Å; P119-S121 PolarHBondContact O-N 2.88Å; S121-S251 WeakPolarHBondContact CB-OG 3.1Å |
| 122 | L | 53.3 | Low | 68.9 | Low | 67 Ų | 67 | 46.3 Ų | 46.3 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | trans | -59.4 | 133.2 | 169.4 | -73 | 174.3 | 0 | 0 | 0 | 109.4 | E19 Y126 | E19-L122 HydrophobicContact CG-CD2 4.39Å; L122-Y126 HydrophobicContact CB-CD1 4.4Å; L122-Y126 HydrophobicContact CB-CG 4.17Å; L122-Y126 HydrophobicContact CD1-CD1 4.35Å; L122-Y126 HydrophobicContact CD2-CD1 3.93Å; L122-Y126 HydrophobicContact CD2-CE1 4.13Å; L122-Y126 HydrophobicContact CD2-CG 4.45Å; L122-Y126 HydrophobicContact CG-CD1 4.46Å | ||
| 123 | P | 56.5 | Low | 68.9 | Low | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | trans | -58.6 | 153.2 | -177.9 | -29.3 | 37.5 | 0 | 0 | 0 | 112.8 | Y22 H23 E125 Y126 | Y22-P123 HydrophobicContact CD1-CG 3.83Å; Y22-P123 HydrophobicContact CE1-CB 4.23Å; Y22-P123 HydrophobicContact CE1-CG 4.01Å; Y22-P123 WeakPolarHBondContact O-CG 3.42Å; H23-P123 VanDerWaalsContact C-CG 3.4Å; P123-E125 PolarHBondContact O-N 2.83Å; P123-Y126 HydrophobicContact CB-CD2 4Å; P123-Y126 HydrophobicContact CB-CE2 4.23Å; P123-Y126 HydrophobicContact CG-CD2 4.21Å; P123-Y126 HydrophobicContact CG-CE2 4.07Å; P123-Y126 VanDerWaalsContact O-CB 3.29Å; P123-Y126 WeakPolarHBondContact O-CB 3.26Å; P123-Y126 WeakPolarHBondContact O-CD2 3.13Å; P123-Y126 PolarHBondContact O-N 2.88Å | ||
| 124 | I | 52 | Low | 68.9 | Low | 116 Ų | 116 | 44.8 Ų | 44.8 | 60% | 0.595 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -59.8 | -23.9 | -172.9 | -156.6 | 166 | 0 | 0 | 0 | 113.9 | Y126 H127 T128 | I124-Y126 PolarHBondContact O-N 3.2Å; I124-H127 CarbonylContact O-C 3.57Å; I124-H127 WeakPolarHBondContact O-CA 3.02Å; I124-H127 PolarHBondContact O-N 3Å; I124-T128 PolarHBondContact O-N 3.09Å |
| 125 | E | 53.6 | Low | 68.9 | Low | 15 Ų | 15 | 44.9 Ų | 44.9 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -52.9 | -29.9 | 167.2 | -63.1 | 157.3 | -115.5 | 0 | 0 | 114.1 | Y22 G24 P123 H127 T128 L155 R174 | Y22-E125 VanDerWaalsContact CE1-OE1 3.24Å; Y22-E125 WeakPolarHBondContact CE1-OE1 3.33Å; Y22-E125 VanDerWaalsContact CE1-OE2 3.31Å; Y22-E125 WeakPolarHBondContact CE1-OE2 3.11Å; Y22-E125 PolarHBondContact OH-OE1 3.48Å; Y22-E125 PolarHBondContact OH-OE2 3.18Å; G24-E125 WeakPolarHBondContact CA-OE1 3.1Å; P123-E125 PolarHBondContact O-N 2.83Å; E125-H127 PolarHBondContact O-N 3.47Å; E125-T128 PolarHBondContact O-OG1 3.06Å; E125-L155 HydrophobicContact CB-CD1 4.11Å; E125-L155 HydrophobicContact CB-CD2 4.12Å; E125-L155 HydrophobicContact CG-CD1 4.26Å; E125-L155 WeakPolarHBondContact O-CD2 3.46Å; E125-R174 IonicContact OE2-CZ 3.24Å; E125-R174 IonicContact OE2-NH1 3.55Å; E125-R174 PolarHBondContact OE2-NH1 2.67Å; E125-R174 IonicContact OE2-NH2 3.45Å; E125-R174 PolarHBondContact OE2-NH2 3.28Å |
| 126 | Y | 49.9 | Very low | 68.8 | Low | 12 Ų | 12 | 45.7 Ų | 45.7 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -75.2 | -10 | 178.5 | -69.6 | -116.9 | 0 | 0 | 0 | 111.7 | E19 Y22 L122 P123 I124 | E19-Y126 HydrophobicContact CG-CE1 3.74Å; Y22-Y126 AromaticContact CD1-CE2 3.97Å; Y22-Y126 HydrophobicContact CD1-CE2 3.97Å; Y22-Y126 HydrophobicContact CE1-CE2 4.19Å; L122-Y126 HydrophobicContact CB-CD1 4.4Å; L122-Y126 HydrophobicContact CB-CG 4.17Å; L122-Y126 HydrophobicContact CD1-CD1 4.35Å; L122-Y126 HydrophobicContact CD2-CD1 3.93Å; L122-Y126 HydrophobicContact CD2-CE1 4.13Å; L122-Y126 HydrophobicContact CD2-CG 4.45Å; L122-Y126 HydrophobicContact CG-CD1 4.46Å; P123-Y126 HydrophobicContact CB-CD2 4Å; P123-Y126 HydrophobicContact CB-CE2 4.23Å; P123-Y126 HydrophobicContact CG-CD2 4.21Å; P123-Y126 HydrophobicContact CG-CE2 4.07Å; P123-Y126 VanDerWaalsContact O-CB 3.29Å; P123-Y126 WeakPolarHBondContact O-CB 3.26Å; P123-Y126 WeakPolarHBondContact O-CD2 3.13Å; P123-Y126 PolarHBondContact O-N 2.88Å; I124-Y126 PolarHBondContact O-N 3.2Å |
| 127 | H | 48.3 | Very low | 68.6 | Low | 47 Ų | 47 | 45.9 Ų | 45.9 | 22% | 0.218 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -121.3 | 4.1 | -176.8 | -54.1 | -70.8 | 0 | 0 | 0 | 113.2 | I124 E125 P189 V249 | I124-H127 CarbonylContact O-C 3.57Å; I124-H127 WeakPolarHBondContact O-CA 3.02Å; I124-H127 PolarHBondContact O-N 3Å; E125-H127 PolarHBondContact O-N 3.47Å; H127-P189 VanDerWaalsContact C-CG 3.46Å; H127-P189 WeakPolarHBondContact O-CG 3.24Å; H127-V249 HydrophobicContact CB-CG2 4.01Å |
| 128 | T | 48.1 | Very low | 68.6 | Low | 74 Ų | 74 | 54.6 Ų | 54.6 | 45% | 0.454 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -100 | 169.3 | 167.7 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | I124 E125 R130 | I124-T128 PolarHBondContact O-N 3.09Å; E125-T128 PolarHBondContact O-OG1 3.06Å; T128-R130 PolarHBondContact O-N 2.9Å; T128-R130 VanDerWaalsContact O-N 3.08Å |
| 129 | Q | 55.2 | Low | 68.4 | Low | 81 Ų | 81 | 54.6 Ų | 54.6 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | trans | -56.4 | 112.9 | -168.8 | -65.2 | -178.5 | -11.3 | 0 | 0 | 112.6 | L156 Y188 | Q129-L156 HydrophobicContact CB-CB 4.49Å; Q129-L156 PolarHBondContact O-N 2.89Å; Q129-L156 VanDerWaalsContact O-N 3.08Å; Q129-Y188 HydrophobicContact CG-CD1 4.05Å; Q129-Y188 HydrophobicContact CG-CE1 3.81Å | ||
| 130 | R | 67.2 | Low | 68 | Low | 24 Ų | 24 | 61.7 Ų | 61.7 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 160.3 | 174.1 | -61 | 175.4 | 157.1 | -166.7 | -16.4 | 111 | T128 F154 L155 L171 K186 E187 | T128-R130 PolarHBondContact O-N 2.9Å; T128-R130 VanDerWaalsContact O-N 3.08Å; R130-F154 CarbonylContact C-O 3.24Å; R130-F154 WeakPolarHBondContact CA-O 3.04Å; R130-F154 WeakPolarHBondContact CB-O 3.09Å; R130-L155 HydrophobicContact CG-CD2 4.34Å; R130-L171 VanDerWaalsContact NH2-CD1 3.34Å; R130-K186 CarbonylContact O-C 3.37Å; R130-K186 WeakPolarHBondContact O-CA 3.42Å; R130-E187 HydrophobicContact CB-CB 4.2Å; R130-E187 WeakPolarHBondContact CB-O 3.47Å; R130-E187 PolarHBondContact N-O 2.88Å; R130-E187 PolarHBondContact O-N 2.82Å |
| 131 | L | 77.6 | Confident | 67.7 | Low | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.4 | 167.3 | -66.2 | 163.8 | 0 | 0 | 0 | 108.3 | R153 F154 L156 V166 A168 V184 E185 K186 | L131-R153 CarbonylContact O-C 3.55Å; L131-R153 WeakPolarHBondContact O-CA 3.34Å; L131-F154 HydrophobicContact CB-CB 4.21Å; L131-F154 HydrophobicContact CB-CD2 4.46Å; L131-F154 PolarHBondContact N-O 2.83Å; L131-F154 PolarHBondContact O-N 2.91Å; L131-L156 HydrophobicContact CD1-CB 4.23Å; L131-L156 HydrophobicContact CD1-CD1 3.99Å; L131-L156 HydrophobicContact CG-CB 4.33Å; L131-V166 HydrophobicContact CD1-CB 4.31Å; L131-V166 HydrophobicContact CD1-CG2 3.74Å; L131-A168 HydrophobicContact CD1-CB 3.71Å; L131-V184 HydrophobicContact CB-CB 4.13Å; L131-V184 HydrophobicContact CB-CG1 4.36Å; L131-V184 HydrophobicContact CD1-CG2 4.29Å; L131-V184 HydrophobicContact CD2-CB 4.14Å; L131-V184 HydrophobicContact CD2-CG2 3.93Å; L131-E185 CarbonylContact C-O 3.57Å; L131-E185 VanDerWaalsContact CA-O 3.23Å; L131-E185 WeakPolarHBondContact CA-O 3.27Å; L131-K186 HydrophobicContact CD2-CG 3.81Å |
| 132 | R | 85.5 | Confident | 67.8 | Low | 75 Ų | 75 | 61.2 Ų | 61.2 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.9 | 170 | 175.8 | 179.5 | 69.9 | 169.2 | -3.1 | 108.5 | V134 V184 E185 E187 | R132-V134 PolarHBondContact O-N 1.83Å; R132-V184 CarbonylContact O-C 3.54Å; R132-V184 WeakPolarHBondContact O-CA 3.48Å; R132-E185 IonicContact CZ-OE1 3.61Å; R132-E185 IonicContact CZ-OE2 3.64Å; R132-E185 PolarHBondContact N-O 2.79Å; R132-E185 IonicContact NE-OE2 2.78Å; R132-E185 VanDerWaalsContact NH2-CD 3.25Å; R132-E185 IonicContact NH2-OE1 3.46Å; R132-E185 PolarHBondContact NH2-OE1 3.4Å; R132-E185 VanDerWaalsContact NH2-OE1 3.08Å; R132-E185 IonicContact NH2-OE2 3.07Å; R132-E185 PolarHBondContact NH2-OE2 2.92Å; R132-E185 PolarHBondContact O-N 3.48Å; R132-E187 HydrophobicContact CB-CB 3.92Å |
| 133 | A | 88.3 | Confident | 67.9 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 121.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | C148 V149 N151 D152 F154 C183 | A133-C148 HydrophobicContact CB-CB 3.7Å; A133-V149 VanDerWaalsContact CB-O 3.26Å; A133-V149 WeakPolarHBondContact CB-O 3.12Å; A133-N151 PolarHBondContact O-N 2.94Å; A133-D152 HydrophobicContact CB-CB 4.45Å; A133-D152 PolarHBondContact N-O 3.21Å; A133-F154 HydrophobicContact CB-CE2 4.11Å; A133-C183 CarbonylContact C-O 3.48Å; A133-C183 WeakPolarHBondContact CA-O 3.29Å |
| 134 | V | 87.9 | Confident | 68.5 | Low | 65 Ų | 65 | 63.7 Ų | 63.7 | 39% | 0.394 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -102.7 | -12.7 | 173.7 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | R132 C183 E185 | R132-V134 PolarHBondContact O-N 1.83Å; V134-C183 PolarHBondContact N-O 2.84Å; V134-E185 HydrophobicContact CG1-CB 3.56Å; V134-E185 VanDerWaalsContact CG1-OE2 3.32Å; V134-E185 WeakPolarHBondContact CG1-OE2 3.38Å |
| 135 | Q | 86.4 | Confident | 69.6 | Low | 106 Ų | 106 | 60.9 Ų | 60.9 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -136.8 | 145.3 | 173.7 | -166.7 | -178.4 | 1.7 | 0 | 0 | 108.7 | C148 C183 | Q135-C148 PolarHBondContact O-SG 3.08Å; Q135-C183 HydrophobicContact CB-CB 4.22Å; Q135-C183 PolarHBondContact N-O 2.91Å |
| 136 | D | 86.6 | Confident | 70.7 | Confident | 99 Ų | 99 | 60.7 Ų | 60.7 | 53% | 0.529 | 30% | 0.298 | S | S | . | . | trans | -63.3 | 134.1 | 167.7 | -59.9 | -40.7 | 0 | 0 | 0 | 109.7 | C148 V149 V150 | D136-C148 WeakPolarHBondContact CA-O 3.22Å; D136-V149 WeakPolarHBondContact OD1-CA 3.41Å; D136-V149 WeakPolarHBondContact OD1-CG1 3.42Å; D136-V150 WeakPolarHBondContact OD1-CG2 3.41Å; D136-V150 PolarHBondContact OD1-N 3.34Å | ||
| 137 | F | 85.5 | Confident | 72.2 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 109 | 171.9 | 175.9 | -109.6 | 0 | 0 | 0 | 109.3 | P139 R145 L146 G147 C148 W165 L179 P180 C183 | F137-P139 HydrophobicContact CE1-CB 3.84Å; F137-P139 HydrophobicContact CZ-CB 4.13Å; F137-R145 HydrophobicContact CE1-CB 4.46Å; F137-L146 WeakPolarHBondContact CD1-O 3.23Å; F137-L146 WeakPolarHBondContact CE1-O 3.44Å; F137-G147 CarbonylContact O-C 3.56Å; F137-G147 VanDerWaalsContact O-CA 3.23Å; F137-G147 WeakPolarHBondContact O-CA 3.46Å; F137-C148 PolarHBondContact N-O 3.35Å; F137-C148 PolarHBondContact O-N 2.64Å; F137-W165 HydrophobicContact CE1-CZ3 4.19Å; F137-W165 HydrophobicContact CE2-CH2 4.38Å; F137-W165 AromaticContact CZ-CH2 3.83Å; F137-W165 HydrophobicContact CZ-CH2 3.83Å; F137-W165 AromaticContact CZ-CZ3 3.84Å; F137-W165 HydrophobicContact CZ-CZ3 3.84Å; F137-L179 HydrophobicContact CD1-CD2 3.92Å; F137-P180 HydrophobicContact CD1-CG 4.04Å; F137-P180 HydrophobicContact CD2-CG 3.6Å; F137-P180 HydrophobicContact CE1-CG 3.98Å; F137-P180 HydrophobicContact CE2-CG 3.56Å; F137-P180 HydrophobicContact CG-CG 3.86Å; F137-P180 HydrophobicContact CZ-CG 3.76Å; F137-C183 HydrophobicContact CB-CB 4.14Å |
| 138 | E | 84.7 | Confident | 74 | Confident | 184 Ų | 184 | 59.9 Ų | 59.9 | 86% | 0.86 | 30% | 0.304 | S | S | * | . | trans | -96.3 | 112.8 | 169.8 | -171.6 | 168.1 | -149.3 | 0 | 0 | 108.5 | ||||
| 139 | P | 76.1 | Confident | 75.8 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -75.9 | 133.7 | -176.3 | 29.1 | -34.8 | 0 | 0 | 0 | 110.8 | F137 N141 R145 G147 | F137-P139 HydrophobicContact CE1-CB 3.84Å; F137-P139 HydrophobicContact CZ-CB 4.13Å; P139-N141 PolarHBondContact O-N 3.29Å; P139-N141 VanDerWaalsContact O-N 3.11Å; P139-R145 HydrophobicContact CB-CB 3.42Å; P139-R145 VanDerWaalsContact CB-CB 3.42Å; P139-R145 HydrophobicContact CB-CG 4.21Å; P139-R145 HydrophobicContact CG-CB 4.32Å; P139-G147 VanDerWaalsContact CD-CA 3.48Å | ||
| 140 | E | 64.6 | Low | 77.3 | Confident | 166 Ų | 166 | 59.4 Ų | 59.4 | 78% | 0.776 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -52.8 | -35.5 | 171.4 | -59.7 | -173.1 | 151.9 | 0 | 0 | 111.7 | A527 | E140-A527 WeakPolarHBondContact O-CB 3.3Š|
| 141 | N | 58.7 | Low | 78 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | trans | -141.9 | 89.3 | -172.4 | 43.9 | 21.6 | 0 | 0 | 0 | 112 | P139 Y143 R145 | P139-N141 PolarHBondContact O-N 3.29Å; P139-N141 VanDerWaalsContact O-N 3.11Å; N141-Y143 PolarHBondContact O-N 3.45Å; N141-R145 WeakPolarHBondContact OD1-CG 3.33Å | ||
| 142 | G | 58.9 | Low | 78.3 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 32.6 | 180 | 0 | 0 | 0 | 0 | 0 | 117.3 | N83 R145 | N83-G142 PolarHBondContact ND2-O 2.85Å; G142-R145 WeakPolarHBondContact CA-O 3.49Å |
| 143 | Y | 54.3 | Low | 78.1 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 26% | 0.255 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -41.3 | 175.6 | -77.8 | -71.2 | 0 | 0 | 0 | 112.9 | N141 Y523 R530 | N141-Y143 PolarHBondContact O-N 3.45Å; Y143-Y523 HydrophobicContact CD2-CE1 4.31Å; Y143-Y523 WeakPolarHBondContact CE1-OH 3.41Å; Y143-Y523 HydrophobicContact CE2-CD1 4.17Å; Y143-Y523 AromaticContact CE2-CE1 3.32Å; Y143-Y523 HydrophobicContact CE2-CE1 3.32Å; Y143-Y523 AromaticContact CE2-CZ 3.53Å; Y143-Y523 WeakPolarHBondContact CE2-OH 3.46Å; Y143-Y523 AromaticContact CZ-CE1 3.53Å; Y143-Y523 AromaticContact CZ-CZ 3.54Å; Y143-Y523 WeakPolarHBondContact OH-CE1 3.47Å; Y143-Y523 PolarHBondContact OH-OH 2.84Å; Y143-Y523 VanDerWaalsContact OH-OH 3.06Å; Y143-R530 PolarHBondContact OH-NH1 3.38Å |
| 144 | D | 68.3 | Low | 77.8 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -19.9 | 178.2 | 41.3 | 15.8 | 0 | 0 | 0 | 111.3 | G177 Y178 R658 | D144-G177 CarbonylContact O-C 3.58Å; D144-G177 WeakPolarHBondContact O-CA 3.29Å; D144-Y178 VanDerWaalsContact O-CD2 3.32Å; D144-Y178 WeakPolarHBondContact O-CD2 3.4Å; D144-Y178 PolarHBondContact O-N 3.36Å; D144-R658 IonicContact OD2-NH2 3.27Å |
| 145 | R | 75.9 | Confident | 77.1 | Confident | 58 Ų | 58 | 64 Ų | 64 | 22% | 0.219 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 142.3 | 172.9 | -50.8 | -56.8 | -170.6 | -176.6 | 1.8 | 111.9 | F137 P139 N141 G142 W165 Y178 | F137-R145 HydrophobicContact CE1-CB 4.46Å; P139-R145 HydrophobicContact CB-CB 3.42Å; P139-R145 VanDerWaalsContact CB-CB 3.42Å; P139-R145 HydrophobicContact CB-CG 4.21Å; P139-R145 HydrophobicContact CG-CB 4.32Å; N141-R145 WeakPolarHBondContact OD1-CG 3.33Å; G142-R145 WeakPolarHBondContact CA-O 3.49Å; R145-W165 VanDerWaalsContact NH1-CE2 3.29Å; R145-Y178 WeakPolarHBondContact CA-O 3.27Å |
| 146 | L | 75.9 | Confident | 76.5 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 157.1 | 164.4 | -119.4 | 87 | 0 | 0 | 0 | 111.2 | F137 F154 H175 Y178 L179 | F137-L146 WeakPolarHBondContact CD1-O 3.23Å; F137-L146 WeakPolarHBondContact CE1-O 3.44Å; L146-F154 HydrophobicContact CD2-CD1 3.95Å; L146-F154 HydrophobicContact CD2-CE1 3.75Å; L146-H175 HydrophobicContact CD1-CB 4.13Å; L146-Y178 PolarHBondContact N-O 2.72Å; L146-L179 HydrophobicContact CB-CD2 3.97Å; L146-L179 HydrophobicContact CB-CG 4.08Å; L146-L179 WeakPolarHBondContact O-CD2 3.25Å |
| 147 | G | 82 | Confident | 75.7 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 153.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F137 P139 | F137-G147 CarbonylContact O-C 3.56Å; F137-G147 VanDerWaalsContact O-CA 3.23Å; F137-G147 WeakPolarHBondContact O-CA 3.46Å; P139-G147 VanDerWaalsContact CD-CA 3.48Å |
| 148 | C | 86.4 | Confident | 74.9 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -143.8 | 146.3 | 174.8 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | A133 Q135 D136 F137 D152 F154 L179 | A133-C148 HydrophobicContact CB-CB 3.7Å; Q135-C148 PolarHBondContact O-SG 3.08Å; D136-C148 WeakPolarHBondContact CA-O 3.22Å; F137-C148 PolarHBondContact N-O 3.35Å; F137-C148 PolarHBondContact O-N 2.64Å; C148-D152 HydrophobicContact CB-CB 4.39Å; C148-F154 HydrophobicContact CB-CE1 4.31Å; C148-F154 HydrophobicContact CB-CE2 3.79Å; C148-F154 HydrophobicContact CB-CZ 3.33Å; C148-L179 HydrophobicContact CB-CD2 4.22Å |
| 149 | V | 86 | Confident | 74.4 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 52% | 0.515 | 30% | 0.298 | S | S | . | . | trans | -104.7 | 150.8 | 165.2 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | A133 D136 N151 D152 | A133-V149 VanDerWaalsContact CB-O 3.26Å; A133-V149 WeakPolarHBondContact CB-O 3.12Å; D136-V149 WeakPolarHBondContact OD1-CA 3.41Å; D136-V149 WeakPolarHBondContact OD1-CG1 3.42Å; V149-N151 PolarHBondContact O-N 2.79Å; V149-D152 PolarHBondContact N-OD2 3Å; V149-D152 VanDerWaalsContact O-CB 3.31Å; V149-D152 WeakPolarHBondContact O-CB 3.11Å; V149-D152 PolarHBondContact O-N 3.21Å | ||
| 150 | V | 86.6 | Confident | 74 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 131 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | D136 | D136-V150 WeakPolarHBondContact OD1-CG2 3.41Å; D136-V150 PolarHBondContact OD1-N 3.34Å |
| 151 | N | 82.2 | Confident | 74.3 | Confident | 104 Ų | 104 | 56.9 Ų | 56.9 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 1.6 | -169.8 | -53.9 | -70.2 | 0 | 0 | 0 | 117.7 | A133 V149 | A133-N151 PolarHBondContact O-N 2.94Å; V149-N151 PolarHBondContact O-N 2.79Å |
| 152 | D | 84 | Confident | 74.8 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | trans | -59.1 | 144.3 | 162.3 | -82.4 | -34.5 | 0 | 0 | 0 | 109.5 | A133 C148 V149 F154 K172 | A133-D152 HydrophobicContact CB-CB 4.45Å; A133-D152 PolarHBondContact N-O 3.21Å; C148-D152 HydrophobicContact CB-CB 4.39Å; V149-D152 PolarHBondContact N-OD2 3Å; V149-D152 VanDerWaalsContact O-CB 3.31Å; V149-D152 WeakPolarHBondContact O-CB 3.11Å; V149-D152 PolarHBondContact O-N 3.21Å; D152-F154 HydrophobicContact CB-CE2 3.75Å; D152-F154 HydrophobicContact CB-CZ 3.6Å; D152-F154 VanDerWaalsContact O-CE2 3.28Å; D152-F154 WeakPolarHBondContact O-CE2 3.25Å; D152-K172 VanDerWaalsContact OD1-CD 3.25Å; D152-K172 WeakPolarHBondContact OD1-CD 3.41Å; D152-K172 IonicContact OD1-NZ 3.53Å; D152-K172 PolarHBondContact OD1-NZ 3.37Å; D152-K172 IonicContact OD2-NZ 3.37Å | ||
| 153 | R | 81.2 | Confident | 75.7 | Confident | 113 Ų | 113 | 62.3 Ų | 62.3 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.3 | -176.3 | -68.8 | 174.5 | 154.1 | 150.1 | -2.6 | 112.3 | L131 L171 E187 | L131-R153 CarbonylContact O-C 3.55Å; L131-R153 WeakPolarHBondContact O-CA 3.34Å; R153-L171 HydrophobicContact CB-CD1 3.85Å; R153-L171 WeakPolarHBondContact O-CB 3.49Å; R153-L171 PolarHBondContact O-N 2.84Å; R153-E187 WeakPolarHBondContact CD-OE2 3.14Å; R153-E187 IonicContact CZ-OE1 2.71Å; R153-E187 IonicContact CZ-OE2 2.85Å; R153-E187 IonicContact NE-OE1 3.84Å; R153-E187 PolarHBondContact NE-OE1 3.02Å; R153-E187 IonicContact NE-OE2 3.08Å; R153-E187 PolarHBondContact NE-OE2 3.1Å; R153-E187 IonicContact NH2-OE1 3.65Å; R153-E187 PolarHBondContact NH2-OE1 3.3Å; R153-E187 IonicContact NH2-OE2 3.58Å |
| 154 | F | 81.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.2 | -176.4 | -44.3 | -100.5 | 0 | 0 | 0 | 110.9 | R130 L131 A133 L146 C148 D152 A168 T169 L179 | R130-F154 CarbonylContact C-O 3.24Å; R130-F154 WeakPolarHBondContact CA-O 3.04Å; R130-F154 WeakPolarHBondContact CB-O 3.09Å; L131-F154 HydrophobicContact CB-CB 4.21Å; L131-F154 HydrophobicContact CB-CD2 4.46Å; L131-F154 PolarHBondContact N-O 2.83Å; L131-F154 PolarHBondContact O-N 2.91Å; A133-F154 HydrophobicContact CB-CE2 4.11Å; L146-F154 HydrophobicContact CD2-CD1 3.95Å; L146-F154 HydrophobicContact CD2-CE1 3.75Å; C148-F154 HydrophobicContact CB-CE1 4.31Å; C148-F154 HydrophobicContact CB-CE2 3.79Å; C148-F154 HydrophobicContact CB-CZ 3.33Å; D152-F154 HydrophobicContact CB-CE2 3.75Å; D152-F154 HydrophobicContact CB-CZ 3.6Å; D152-F154 VanDerWaalsContact O-CE2 3.28Å; D152-F154 WeakPolarHBondContact O-CE2 3.25Å; F154-A168 HydrophobicContact CB-CB 3.92Å; F154-T169 CarbonylContact C-O 3.24Å; F154-T169 WeakPolarHBondContact CA-O 3.45Å; F154-T169 WeakPolarHBondContact CB-O 3.45Å; F154-L179 HydrophobicContact CD1-CD1 3.61Å; F154-L179 HydrophobicContact CD2-CD1 3.89Å; F154-L179 HydrophobicContact CE1-CD1 3.76Å; F154-L179 HydrophobicContact CE2-CD1 4.02Å; F154-L179 HydrophobicContact CG-CD1 3.75Å; F154-L179 HydrophobicContact CZ-CD1 4Å |
| 155 | L | 72.7 | Confident | 77.9 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.3 | 165.3 | -61.1 | 170.4 | 0 | 0 | 0 | 108.5 | E125 R130 I157 A168 T169 L171 | E125-L155 HydrophobicContact CB-CD1 4.11Å; E125-L155 HydrophobicContact CB-CD2 4.12Å; E125-L155 HydrophobicContact CG-CD1 4.26Å; E125-L155 WeakPolarHBondContact O-CD2 3.46Å; R130-L155 HydrophobicContact CG-CD2 4.34Å; L155-I157 PolarHBondContact O-N 2.98Å; L155-A168 CarbonylContact O-C 3.55Å; L155-A168 WeakPolarHBondContact O-CA 3.47Å; L155-A168 WeakPolarHBondContact O-CB 3.38Å; L155-T169 PolarHBondContact N-O 3.12Å; L155-T169 PolarHBondContact O-N 3.39Å; L155-L171 HydrophobicContact CD1-CD2 3.94Å; L155-L171 HydrophobicContact CD2-CD2 3.99Å; L155-L171 HydrophobicContact CG-CD2 3.68Å; L155-L171 HydrophobicContact CG-CG 4.35Å |
| 156 | L | 75.3 | Confident | 78.2 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 121.5 | 170.7 | 178.5 | 63.7 | 0 | 0 | 0 | 109.4 | Q129 L131 E159 V166 | Q129-L156 HydrophobicContact CB-CB 4.49Å; Q129-L156 PolarHBondContact O-N 2.89Å; Q129-L156 VanDerWaalsContact O-N 3.08Å; L131-L156 HydrophobicContact CD1-CB 4.23Å; L131-L156 HydrophobicContact CD1-CD1 3.99Å; L131-L156 HydrophobicContact CG-CB 4.33Å; L156-E159 HydrophobicContact CD1-CB 4.27Å; L156-E159 HydrophobicContact CD2-CB 4.5Å; L156-V166 HydrophobicContact CD1-CB 3.84Å; L156-V166 HydrophobicContact CD1-CG1 3.96Å |
| 157 | I | 68.9 | Low | 78.5 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 45% | 0.451 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -51.1 | 173.8 | -54.7 | 167.3 | 0 | 0 | 0 | 109.7 | L155 L167 T169 | L155-I157 PolarHBondContact O-N 2.98Å; I157-L167 HydrophobicContact CB-CB 4.48Å; I157-L167 HydrophobicContact CB-CD2 4.17Å; I157-L167 HydrophobicContact CB-CG 4.09Å; I157-L167 WeakPolarHBondContact CB-O 3.44Å; I157-L167 HydrophobicContact CD1-CD2 4.33Å; I157-L167 HydrophobicContact CD1-CG 3.96Å; I157-L167 HydrophobicContact CG2-CD2 4.04Å; I157-L167 PolarHBondContact N-O 3.44Å; I157-T169 WeakPolarHBondContact CD1-OG1 3.47Å |
| 158 | Y | 68.2 | Low | 78.4 | Confident | 131 Ų | 131 | 62.8 Ų | 62.8 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 141.1 | -174.8 | 175.7 | -102.6 | 0 | 0 | 0 | 111.6 | D160 L167 | Y158-D160 HydrophobicContact CE1-CB 4.01Å; Y158-L167 PolarHBondContact N-O 2.83Å; Y158-L167 VanDerWaalsContact N-O 3.16Å; Y158-L167 PolarHBondContact O-N 2.98Å |
| 159 | E | 73.9 | Confident | 77.9 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.8 | 172.4 | 178 | 172.1 | -166.1 | 0 | 0 | 109.2 | L156 V166 K181 K186 | L156-E159 HydrophobicContact CD1-CB 4.27Å; L156-E159 HydrophobicContact CD2-CB 4.5Å; E159-V166 HydrophobicContact CB-CG1 3.97Å; E159-V166 HydrophobicContact CG-CG1 3.84Å; E159-K181 WeakPolarHBondContact OE1-CE 3.14Å; E159-K181 IonicContact OE1-NZ 3.47Å; E159-K181 PolarHBondContact OE1-NZ 2.8Å; E159-K186 WeakPolarHBondContact OE2-CE 3.31Å; E159-K186 IonicContact OE2-NZ 3.2Å; E159-K186 PolarHBondContact OE2-NZ 3.21Å |
| 160 | D | 68.3 | Low | 77.7 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | trans | -82.7 | 123.9 | 160.7 | 176.3 | 2 | 0 | 0 | 0 | 108 | Y158 N162 S163 K181 | Y158-D160 HydrophobicContact CE1-CB 4.01Å; D160-N162 PolarHBondContact O-N 3.49Å; D160-N162 WeakPolarHBondContact OD1-CB 3.42Å; D160-N162 PolarHBondContact OD1-N 2.72Å; D160-N162 PolarHBondContact OD1-ND2 3.09Å; D160-S163 PolarHBondContact O-N 3.23Å; D160-K181 PolarHBondContact O-NZ 2.74Å | ||
| 161 | P | 71 | Confident | 77 | Confident | 106 Ų | 106 | 57.3 Ų | 57.3 | 69% | 0.688 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.5 | 176.1 | 25.9 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 162 | N | 69.6 | Low | 76.5 | Confident | 149 Ų | 149 | 58.4 Ų | 58.4 | 80% | 0.797 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -0.8 | -179 | -52.5 | -65.9 | 0 | 0 | 0 | 114 | D160 | D160-N162 PolarHBondContact O-N 3.49Å; D160-N162 WeakPolarHBondContact OD1-CB 3.42Å; D160-N162 PolarHBondContact OD1-N 2.72Å; D160-N162 PolarHBondContact OD1-ND2 3.09Å |
| 163 | S | 77.8 | Confident | 75.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -109.2 | 146.5 | -178.4 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | D160 W165 K181 | D160-S163 PolarHBondContact O-N 3.23Å; S163-W165 PolarHBondContact O-N 2.8Å; S163-W165 PolarHBondContact OG-N 2.76Å; S163-K181 WeakPolarHBondContact O-CD 3.36Å; S163-K181 WeakPolarHBondContact O-CE 3.43Å; S163-K181 PolarHBondContact O-NZ 2.84Å |
| 164 | D | 83.4 | Confident | 75.5 | Confident | 130 Ų | 130 | 53.6 Ų | 53.6 | 70% | 0.695 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -78.8 | 8.3 | 170 | -70.3 | -46.3 | 0 | 0 | 0 | 113.3 | K181 | D164-K181 WeakPolarHBondContact O-CB 3.12Å; D164-K181 WeakPolarHBondContact O-CG 3.43Å; D164-K181 PolarHBondContact O-N 3.23Å |
| 165 | W | 85.3 | Confident | 75 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 27% | 0.265 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.1 | -177.3 | -60.5 | 85.4 | 0 | 0 | 0 | 112.5 | F137 R145 S163 Y178 L179 P180 K181 | F137-W165 HydrophobicContact CE1-CZ3 4.19Å; F137-W165 HydrophobicContact CE2-CH2 4.38Å; F137-W165 AromaticContact CZ-CH2 3.83Å; F137-W165 HydrophobicContact CZ-CH2 3.83Å; F137-W165 AromaticContact CZ-CZ3 3.84Å; F137-W165 HydrophobicContact CZ-CZ3 3.84Å; R145-W165 VanDerWaalsContact NH1-CE2 3.29Å; S163-W165 PolarHBondContact O-N 2.8Å; S163-W165 PolarHBondContact OG-N 2.76Å; W165-Y178 HydrophobicContact CB-CD1 4.19Å; W165-L179 WeakPolarHBondContact CA-O 3.2Å; W165-L179 VanDerWaalsContact CE3-C 3.42Å; W165-P180 HydrophobicContact CE3-CB 4.37Å; W165-P180 HydrophobicContact CE3-CG 4.17Å; W165-P180 HydrophobicContact CH2-CB 4.44Å; W165-P180 HydrophobicContact CH2-CG 3.87Å; W165-P180 HydrophobicContact CZ3-CB 4.19Å; W165-P180 HydrophobicContact CZ3-CG 3.57Å; W165-K181 WeakPolarHBondContact O-CE 3.33Å |
| 166 | V | 82.8 | Confident | 75 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138 | 170.4 | -75.6 | 0 | 0 | 0 | 0 | 110.3 | L131 L156 E159 Y178 L179 K181 V184 | L131-V166 HydrophobicContact CD1-CB 4.31Å; L131-V166 HydrophobicContact CD1-CG2 3.74Å; L156-V166 HydrophobicContact CD1-CB 3.84Å; L156-V166 HydrophobicContact CD1-CG1 3.96Å; E159-V166 HydrophobicContact CB-CG1 3.97Å; E159-V166 HydrophobicContact CG-CG1 3.84Å; V166-Y178 CarbonylContact O-C 3.38Å; V166-Y178 VanDerWaalsContact O-CA 3.3Å; V166-Y178 WeakPolarHBondContact O-CA 3.35Å; V166-L179 HydrophobicContact CG2-CB 4.3Å; V166-L179 PolarHBondContact N-O 3.1Å; V166-L179 PolarHBondContact O-N 2.8Å; V166-K181 HydrophobicContact CG1-CD 4.35Å; V166-K181 HydrophobicContact CG1-CG 3.86Å; V166-V184 HydrophobicContact CG2-CG2 3.74Å |
| 167 | L | 81.5 | Confident | 75 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 20% | 0.199 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.9 | 172 | -177.1 | 67.8 | 0 | 0 | 0 | 108.6 | I157 Y158 Y178 | I157-L167 HydrophobicContact CB-CB 4.48Å; I157-L167 HydrophobicContact CB-CD2 4.17Å; I157-L167 HydrophobicContact CB-CG 4.09Å; I157-L167 WeakPolarHBondContact CB-O 3.44Å; I157-L167 HydrophobicContact CD1-CD2 4.33Å; I157-L167 HydrophobicContact CD1-CG 3.96Å; I157-L167 HydrophobicContact CG2-CD2 4.04Å; I157-L167 PolarHBondContact N-O 3.44Å; Y158-L167 PolarHBondContact N-O 2.83Å; Y158-L167 VanDerWaalsContact N-O 3.16Å; Y158-L167 PolarHBondContact O-N 2.98Å; L167-Y178 HydrophobicContact CB-CD1 4.05Å; L167-Y178 HydrophobicContact CB-CE1 3.76Å; L167-Y178 HydrophobicContact CD1-CD1 4.27Å; L167-Y178 HydrophobicContact CD1-CD2 4.31Å; L167-Y178 HydrophobicContact CD1-CE1 4.09Å; L167-Y178 HydrophobicContact CD1-CE2 4.11Å; L167-Y178 HydrophobicContact CD1-CG 4.37Å; L167-Y178 HydrophobicContact CG-CE1 4.44Å |
| 168 | A | 79.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L131 F154 L155 S176 G177 L179 | L131-A168 HydrophobicContact CD1-CB 3.71Å; F154-A168 HydrophobicContact CB-CB 3.92Å; L155-A168 CarbonylContact O-C 3.55Å; L155-A168 WeakPolarHBondContact O-CA 3.47Å; L155-A168 WeakPolarHBondContact O-CB 3.38Å; A168-S176 WeakPolarHBondContact O-CA 3.15Å; A168-G177 PolarHBondContact N-O 2.9Å; A168-G177 PolarHBondContact O-N 2.83Å; A168-G177 VanDerWaalsContact O-O 3.12Å; A168-L179 HydrophobicContact CB-CD1 4.29Å |
| 169 | T | 76.2 | Confident | 76.6 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.9 | 172.8 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | F154 L155 I157 L171 H175 S176 | F154-T169 CarbonylContact C-O 3.24Å; F154-T169 WeakPolarHBondContact CA-O 3.45Å; F154-T169 WeakPolarHBondContact CB-O 3.45Å; L155-T169 PolarHBondContact N-O 3.12Å; L155-T169 PolarHBondContact O-N 3.39Å; I157-T169 WeakPolarHBondContact CD1-OG1 3.47Å; T169-L171 PolarHBondContact O-N 3.4Å; T169-H175 CarbonylContact C-O 3.48Å; T169-H175 WeakPolarHBondContact CA-O 3.44Å; T169-S176 PolarHBondContact OG1-OG 2.88Å |
| 170 | S | 80.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 132.5 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | K172 S173 R174 H175 | S170-K172 PolarHBondContact O-N 3.35Å; S170-K172 PolarHBondContact OG-N 2.69Å; S170-K172 VanDerWaalsContact OG-N 3.15Å; S170-S173 VanDerWaalsContact CB-OG 3.3Å; S170-S173 WeakPolarHBondContact CB-OG 3.26Å; S170-S173 PolarHBondContact OG-N 3.24Å; S170-R174 WeakPolarHBondContact O-CA 3.33Å; S170-R174 WeakPolarHBondContact O-CD 3.5Å; S170-R174 PolarHBondContact O-N 2.82Å; S170-H175 PolarHBondContact N-O 2.94Å |
| 171 | L | 72.3 | Confident | 78.1 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.1 | 171.8 | -70.8 | 176.8 | 0 | 0 | 0 | 112.5 | L18 R130 R153 L155 T169 | L18-L171 VanDerWaalsContact CD2-O 3.26Å; L18-L171 WeakPolarHBondContact CD2-O 3.38Å; R130-L171 VanDerWaalsContact NH2-CD1 3.34Å; R153-L171 HydrophobicContact CB-CD1 3.85Å; R153-L171 WeakPolarHBondContact O-CB 3.49Å; R153-L171 PolarHBondContact O-N 2.84Å; L155-L171 HydrophobicContact CD1-CD2 3.94Å; L155-L171 HydrophobicContact CD2-CD2 3.99Å; L155-L171 HydrophobicContact CG-CD2 3.68Å; L155-L171 HydrophobicContact CG-CG 4.35Å; T169-L171 PolarHBondContact O-N 3.4Å |
| 172 | K | 72.5 | Confident | 78.8 | Confident | 127 Ų | 127 | 46 Ų | 46 | 55% | 0.552 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -57.8 | -179 | -178 | -178.7 | -176.5 | -178.8 | 0 | 111.7 | D152 S170 | D152-K172 VanDerWaalsContact OD1-CD 3.25Å; D152-K172 WeakPolarHBondContact OD1-CD 3.41Å; D152-K172 IonicContact OD1-NZ 3.53Å; D152-K172 PolarHBondContact OD1-NZ 3.37Å; D152-K172 IonicContact OD2-NZ 3.37Å; S170-K172 PolarHBondContact O-N 3.35Å; S170-K172 PolarHBondContact OG-N 2.69Å; S170-K172 VanDerWaalsContact OG-N 3.15Å |
| 173 | S | 71.2 | Confident | 79.7 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -17.5 | -179.4 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | F85 S170 H175 | F85-S173 WeakPolarHBondContact CE2-O 3.49Å; S170-S173 VanDerWaalsContact CB-OG 3.3Å; S170-S173 WeakPolarHBondContact CB-OG 3.26Å; S170-S173 PolarHBondContact OG-N 3.24Å; S173-H175 PolarHBondContact O-N 2.98Å; S173-H175 VanDerWaalsContact O-N 3.15Å; S173-H175 PolarHBondContact OG-N 3.18Å |
| 174 | R | 72.8 | Confident | 80.1 | Confident | 9 Ų | 9 | 38 Ų | 38 | 3% | 0.034 | 20% | 0.199 | C | C | . | . | trans | 56.3 | 14.2 | -168 | -65.9 | -55 | -161.4 | 136.5 | -10.9 | 115.3 | Y22 Y62 F85 E125 S170 | Y22-R174 PolarHBondContact OH-NH1 2.71Å; Y62-R174 HydrophobicContact CE1-CG 4.31Å; Y62-R174 HydrophobicContact CE2-CB 4.37Å; Y62-R174 WeakPolarHBondContact OH-CD 3.12Å; Y62-R174 PolarHBondContact OH-NH1 3.06Å; F85-R174 HydrophobicContact CZ-CB 3.82Å; E125-R174 IonicContact OE2-CZ 3.24Å; E125-R174 IonicContact OE2-NH1 3.55Å; E125-R174 PolarHBondContact OE2-NH1 2.67Å; E125-R174 IonicContact OE2-NH2 3.45Å; E125-R174 PolarHBondContact OE2-NH2 3.28Å; S170-R174 WeakPolarHBondContact O-CA 3.33Å; S170-R174 WeakPolarHBondContact O-CD 3.5Å; S170-R174 PolarHBondContact O-N 2.82Å | ||
| 175 | H | 71 | Confident | 80.2 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | trans | -80 | 148.5 | 167.3 | -60.7 | 156.5 | 0 | 0 | 0 | 111.5 | N83 F85 D93 L146 T169 S170 S173 | N83-H175 VanDerWaalsContact C-NE2 3.31Å; N83-H175 PolarHBondContact O-CE1 3.35Å; N83-H175 PolarHBondContact O-NE2 3.17Å; F85-H175 AromaticContact CD2-NE2 3.89Å; F85-H175 AromaticContact CE2-CD2 3.54Å; F85-H175 AromaticContact CE2-NE2 3.41Å; F85-H175 WeakPolarHBondContact CE2-NE2 3.4Å; F85-H175 AromaticContact CZ-CD2 3.91Å; D93-H175 PolarHBondContact O-CE1 2.75Å; D93-H175 VanDerWaalsContact O-CE1 3.26Å; L146-H175 HydrophobicContact CD1-CB 4.13Å; T169-H175 CarbonylContact C-O 3.48Å; T169-H175 WeakPolarHBondContact CA-O 3.44Å; S170-H175 PolarHBondContact N-O 2.94Å; S173-H175 PolarHBondContact O-N 2.98Å; S173-H175 VanDerWaalsContact O-N 3.15Å; S173-H175 PolarHBondContact OG-N 3.18Å | ||
| 176 | S | 73.6 | Confident | 79.7 | Confident | 66 Ų | 66 | 35.5 Ų | 35.5 | 46% | 0.462 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.1 | 179.7 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | A168 T169 | A168-S176 WeakPolarHBondContact O-CA 3.15Å; T169-S176 PolarHBondContact OG1-OG 2.88Å |
| 177 | G | 74.3 | Confident | 78.7 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D144 A168 | D144-G177 CarbonylContact O-C 3.58Å; D144-G177 WeakPolarHBondContact O-CA 3.29Å; A168-G177 PolarHBondContact N-O 2.9Å; A168-G177 PolarHBondContact O-N 2.83Å; A168-G177 VanDerWaalsContact O-O 3.12Å |
| 178 | Y | 85.4 | Confident | 77.3 | Confident | 90 Ų | 90 | 37 Ų | 37 | 35% | 0.353 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 132.9 | -173.3 | -67.3 | -78.2 | 0 | 0 | 0 | 112.7 | D144 R145 L146 W165 V166 L167 | D144-Y178 VanDerWaalsContact O-CD2 3.32Å; D144-Y178 WeakPolarHBondContact O-CD2 3.4Å; D144-Y178 PolarHBondContact O-N 3.36Å; R145-Y178 WeakPolarHBondContact CA-O 3.27Å; L146-Y178 PolarHBondContact N-O 2.72Å; W165-Y178 HydrophobicContact CB-CD1 4.19Å; V166-Y178 CarbonylContact O-C 3.38Å; V166-Y178 VanDerWaalsContact O-CA 3.3Å; V166-Y178 WeakPolarHBondContact O-CA 3.35Å; L167-Y178 HydrophobicContact CB-CD1 4.05Å; L167-Y178 HydrophobicContact CB-CE1 3.76Å; L167-Y178 HydrophobicContact CD1-CD1 4.27Å; L167-Y178 HydrophobicContact CD1-CD2 4.31Å; L167-Y178 HydrophobicContact CD1-CE1 4.09Å; L167-Y178 HydrophobicContact CD1-CE2 4.11Å; L167-Y178 HydrophobicContact CD1-CG 4.37Å; L167-Y178 HydrophobicContact CG-CE1 4.44Å |
| 179 | L | 86.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.9 | 169.6 | -72.8 | 168.5 | 0 | 0 | 0 | 110.3 | F137 L146 C148 F154 W165 V166 A168 V184 | F137-L179 HydrophobicContact CD1-CD2 3.92Å; L146-L179 HydrophobicContact CB-CD2 3.97Å; L146-L179 HydrophobicContact CB-CG 4.08Å; L146-L179 WeakPolarHBondContact O-CD2 3.25Å; C148-L179 HydrophobicContact CB-CD2 4.22Å; F154-L179 HydrophobicContact CD1-CD1 3.61Å; F154-L179 HydrophobicContact CD2-CD1 3.89Å; F154-L179 HydrophobicContact CE1-CD1 3.76Å; F154-L179 HydrophobicContact CE2-CD1 4.02Å; F154-L179 HydrophobicContact CG-CD1 3.75Å; F154-L179 HydrophobicContact CZ-CD1 4Å; W165-L179 WeakPolarHBondContact CA-O 3.2Å; W165-L179 VanDerWaalsContact CE3-C 3.42Å; V166-L179 HydrophobicContact CG2-CB 4.3Å; V166-L179 PolarHBondContact N-O 3.1Å; V166-L179 PolarHBondContact O-N 2.8Å; A168-L179 HydrophobicContact CB-CD1 4.29Å; L179-V184 HydrophobicContact CB-CG1 4.33Å; L179-V184 HydrophobicContact CD1-CG1 3.96Å |
| 180 | P | 87.2 | Confident | 74.3 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 8% | 0.078 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 136 | 174.8 | -8.7 | 23 | 0 | 0 | 0 | 110.5 | F137 W165 S182 C183 | F137-P180 HydrophobicContact CD1-CG 4.04Å; F137-P180 HydrophobicContact CD2-CG 3.6Å; F137-P180 HydrophobicContact CE1-CG 3.98Å; F137-P180 HydrophobicContact CE2-CG 3.56Å; F137-P180 HydrophobicContact CG-CG 3.86Å; F137-P180 HydrophobicContact CZ-CG 3.76Å; W165-P180 HydrophobicContact CE3-CB 4.37Å; W165-P180 HydrophobicContact CE3-CG 4.17Å; W165-P180 HydrophobicContact CH2-CB 4.44Å; W165-P180 HydrophobicContact CH2-CG 3.87Å; W165-P180 HydrophobicContact CZ3-CB 4.19Å; W165-P180 HydrophobicContact CZ3-CG 3.57Å; P180-S182 PolarHBondContact O-N 3.27Å; P180-S182 VanDerWaalsContact O-N 3.16Å; P180-C183 HydrophobicContact CB-CB 4.46Å; P180-C183 HydrophobicContact CG-CB 4.38Å; P180-C183 PolarHBondContact O-N 2.93Å |
| 181 | K | 86.3 | Confident | 73.1 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.3 | 176.8 | -73.1 | -176.4 | -173.3 | -175 | 0 | 113.4 | E159 D160 S163 D164 W165 V166 C183 | E159-K181 WeakPolarHBondContact OE1-CE 3.14Å; E159-K181 IonicContact OE1-NZ 3.47Å; E159-K181 PolarHBondContact OE1-NZ 2.8Å; D160-K181 PolarHBondContact O-NZ 2.74Å; S163-K181 WeakPolarHBondContact O-CD 3.36Å; S163-K181 WeakPolarHBondContact O-CE 3.43Å; S163-K181 PolarHBondContact O-NZ 2.84Å; D164-K181 WeakPolarHBondContact O-CB 3.12Å; D164-K181 WeakPolarHBondContact O-CG 3.43Å; D164-K181 PolarHBondContact O-N 3.23Å; W165-K181 WeakPolarHBondContact O-CE 3.33Å; V166-K181 HydrophobicContact CG1-CD 4.35Å; V166-K181 HydrophobicContact CG1-CG 3.86Å; K181-C183 VanDerWaalsContact C-N 3.28Å; K181-C183 PolarHBondContact O-N 3.47Å |
| 182 | S | 85.6 | Confident | 72.4 | Confident | 87 Ų | 87 | 46.9 Ų | 46.9 | 61% | 0.608 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -27.5 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | P180 | P180-S182 PolarHBondContact O-N 3.27Å; P180-S182 VanDerWaalsContact O-N 3.16Å |
| 183 | C | 87.4 | Confident | 71.7 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -9.1 | -173.5 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | A133 V134 Q135 F137 P180 K181 | A133-C183 CarbonylContact C-O 3.48Å; A133-C183 WeakPolarHBondContact CA-O 3.29Å; V134-C183 PolarHBondContact N-O 2.84Å; Q135-C183 HydrophobicContact CB-CB 4.22Å; Q135-C183 PolarHBondContact N-O 2.91Å; F137-C183 HydrophobicContact CB-CB 4.14Å; P180-C183 HydrophobicContact CB-CB 4.46Å; P180-C183 HydrophobicContact CG-CB 4.38Å; P180-C183 PolarHBondContact O-N 2.93Å; K181-C183 VanDerWaalsContact C-N 3.28Å; K181-C183 PolarHBondContact O-N 3.47Å |
| 184 | V | 87.3 | Confident | 70.9 | Confident | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.085 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.4 | -177.2 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | L131 R132 V166 L179 | L131-V184 HydrophobicContact CB-CB 4.13Å; L131-V184 HydrophobicContact CB-CG1 4.36Å; L131-V184 HydrophobicContact CD1-CG2 4.29Å; L131-V184 HydrophobicContact CD2-CB 4.14Å; L131-V184 HydrophobicContact CD2-CG2 3.93Å; R132-V184 CarbonylContact O-C 3.54Å; R132-V184 WeakPolarHBondContact O-CA 3.48Å; V166-V184 HydrophobicContact CG2-CG2 3.74Å; L179-V184 HydrophobicContact CB-CG1 4.33Å; L179-V184 HydrophobicContact CD1-CG1 3.96Å |
| 185 | E | 84 | Confident | 70.5 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 144.1 | 169.2 | 176 | -169.8 | 141.3 | 0 | 0 | 109.7 | L131 R132 V134 E187 | L131-E185 CarbonylContact C-O 3.57Å; L131-E185 VanDerWaalsContact CA-O 3.23Å; L131-E185 WeakPolarHBondContact CA-O 3.27Å; R132-E185 IonicContact CZ-OE1 3.61Å; R132-E185 IonicContact CZ-OE2 3.64Å; R132-E185 PolarHBondContact N-O 2.79Å; R132-E185 IonicContact NE-OE2 2.78Å; R132-E185 VanDerWaalsContact NH2-CD 3.25Å; R132-E185 IonicContact NH2-OE1 3.46Å; R132-E185 PolarHBondContact NH2-OE1 3.4Å; R132-E185 VanDerWaalsContact NH2-OE1 3.08Å; R132-E185 IonicContact NH2-OE2 3.07Å; R132-E185 PolarHBondContact NH2-OE2 2.92Å; R132-E185 PolarHBondContact O-N 3.48Å; V134-E185 HydrophobicContact CG1-CB 3.56Å; V134-E185 VanDerWaalsContact CG1-OE2 3.32Å; V134-E185 WeakPolarHBondContact CG1-OE2 3.38Å; E185-E187 PolarHBondContact O-N 2.99Å; E185-E187 VanDerWaalsContact O-N 3.09Å |
| 186 | K | 75.9 | Confident | 70.3 | Confident | 64 Ų | 64 | 52.3 Ų | 52.3 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 99.5 | 169.8 | -68.6 | -174.5 | -178.6 | -176.7 | 0 | 110.4 | R130 L131 E159 Y188 | R130-K186 CarbonylContact O-C 3.37Å; R130-K186 WeakPolarHBondContact O-CA 3.42Å; L131-K186 HydrophobicContact CD2-CG 3.81Å; E159-K186 WeakPolarHBondContact OE2-CE 3.31Å; E159-K186 IonicContact OE2-NZ 3.2Å; E159-K186 PolarHBondContact OE2-NZ 3.21Å; K186-Y188 VanDerWaalsContact C-N 3.27Å; K186-Y188 HydrophobicContact CB-CD2 3.86Å; K186-Y188 HydrophobicContact CB-CE2 3.35Å; K186-Y188 HydrophobicContact CD-CE1 4.47Å; K186-Y188 HydrophobicContact CD-CE2 4.03Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.33Å; K186-Y188 HydrophobicContact CG-CE2 4.33Å; K186-Y188 WeakPolarHBondContact O-CD2 3.18Å; K186-Y188 PolarHBondContact O-N 3.33Å |
| 187 | E | 62.3 | Low | 70.5 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 79.9 | 171.8 | -172.7 | -179.4 | -137.3 | 0 | 0 | 109.1 | R130 R132 R153 E185 P189 | R130-E187 HydrophobicContact CB-CB 4.2Å; R130-E187 WeakPolarHBondContact CB-O 3.47Å; R130-E187 PolarHBondContact N-O 2.88Å; R130-E187 PolarHBondContact O-N 2.82Å; R132-E187 HydrophobicContact CB-CB 3.92Å; R153-E187 WeakPolarHBondContact CD-OE2 3.14Å; R153-E187 IonicContact CZ-OE1 2.71Å; R153-E187 IonicContact CZ-OE2 2.85Å; R153-E187 IonicContact NE-OE1 3.84Å; R153-E187 PolarHBondContact NE-OE1 3.02Å; R153-E187 IonicContact NE-OE2 3.08Å; R153-E187 PolarHBondContact NE-OE2 3.1Å; R153-E187 IonicContact NH2-OE1 3.65Å; R153-E187 PolarHBondContact NH2-OE1 3.3Å; R153-E187 IonicContact NH2-OE2 3.58Å; E185-E187 PolarHBondContact O-N 2.99Å; E185-E187 VanDerWaalsContact O-N 3.09Å; E187-P189 WeakPolarHBondContact O-CD 3.47Å |
| 188 | Y | 51.9 | Low | 70.6 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 126 | 173.8 | -65.7 | -81.1 | 0 | 0 | 0 | 110.1 | Q129 K186 E190 E193 | Q129-Y188 HydrophobicContact CG-CD1 4.05Å; Q129-Y188 HydrophobicContact CG-CE1 3.81Å; K186-Y188 VanDerWaalsContact C-N 3.27Å; K186-Y188 HydrophobicContact CB-CD2 3.86Å; K186-Y188 HydrophobicContact CB-CE2 3.35Å; K186-Y188 HydrophobicContact CD-CE1 4.47Å; K186-Y188 HydrophobicContact CD-CE2 4.03Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.33Å; K186-Y188 HydrophobicContact CG-CE2 4.33Å; K186-Y188 WeakPolarHBondContact O-CD2 3.18Å; K186-Y188 PolarHBondContact O-N 3.33Å; Y188-E190 PolarHBondContact O-N 2.94Å; Y188-E193 HydrophobicContact CD1-CB 4.15Å; Y188-E193 HydrophobicContact CD1-CG 3.95Å; Y188-E193 WeakPolarHBondContact CD1-OE1 3.48Å; Y188-E193 WeakPolarHBondContact CD1-OE2 3.42Å; Y188-E193 HydrophobicContact CD2-CB 4.05Å; Y188-E193 HydrophobicContact CE1-CG 4.33Å; Y188-E193 WeakPolarHBondContact CE1-OE1 3.18Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.31Å; Y188-E193 HydrophobicContact CG-CB 3.78Å; Y188-E193 HydrophobicContact CG-CG 4.11Å; Y188-E193 PolarHBondContact OH-OE2 3.42Å |
| 189 | P | 46.9 | Very low | 70.2 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 127.9 | 175.4 | 22.4 | -28.7 | 0 | 0 | 0 | 109.2 | H127 E187 I191 | H127-P189 VanDerWaalsContact C-CG 3.46Å; H127-P189 WeakPolarHBondContact O-CG 3.24Å; E187-P189 WeakPolarHBondContact O-CD 3.47Å; P189-I191 PolarHBondContact O-N 3.16Å; P189-I191 VanDerWaalsContact O-N 3.16Å |
| 190 | E | 45.5 | Very low | 69.1 | Low | 124 Ų | 124 | 47.7 Ų | 47.7 | 58% | 0.579 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -52.5 | 116.8 | -171.8 | -29.1 | -167 | 151.3 | 0 | 0 | 108.6 | Y188 R194 | Y188-E190 PolarHBondContact O-N 2.94Å; E190-R194 IonicContact OE1-CZ 3.11Å; E190-R194 IonicContact OE1-NH1 2.72Å; E190-R194 PolarHBondContact OE1-NH1 3.15Å; E190-R194 IonicContact OE1-NH2 2.72Å; E190-R194 PolarHBondContact OE1-NH2 3.36Å; E190-R194 IonicContact OE2-NH1 3.51Å |
| 191 | I | 54.8 | Low | 67.9 | Low | 77 Ų | 77 | 51.3 Ų | 51.3 | 40% | 0.395 | 26% | 0.256 | S | S | . | . | S | Bend | -147.3 | -30.8 | 82.4 | -80 | 135 | 0 | 0 | 0 | 112.9 | P189 | P189-I191 PolarHBondContact O-N 3.16Å; P189-I191 VanDerWaalsContact O-N 3.16Å | |
| 192 | I | 57.9 | Low | 66.5 | Low | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -88.7 | -46.5 | -161.1 | -64.8 | -165.4 | 0 | 0 | 0 | 114.6 | R194 L195 F198 L220 Y230 L247 I346 V356 | I192-R194 PolarHBondContact O-N 2.88Å; I192-R194 VanDerWaalsContact O-N 3.07Å; I192-L195 HydrophobicContact CB-CD1 4.39Å; I192-L195 HydrophobicContact CG1-CD1 4.49Å; I192-L195 HydrophobicContact CG2-CD1 4.19Å; I192-L195 WeakPolarHBondContact O-CB 3.26Å; I192-L195 WeakPolarHBondContact O-CD1 3.33Å; I192-L195 VanDerWaalsContact O-CG 3.29Å; I192-L195 WeakPolarHBondContact O-CG 3.32Å; I192-L195 PolarHBondContact O-N 3.41Å; I192-F198 HydrophobicContact CG2-CD2 4.5Å; I192-L220 HydrophobicContact CG2-CD2 3.43Å; I192-L220 VanDerWaalsContact CG2-CD2 3.43Å; I192-L220 HydrophobicContact CG2-CG 4.44Å; I192-Y230 HydrophobicContact CB-CE1 4.21Å; I192-Y230 HydrophobicContact CG2-CD1 3.77Å; I192-Y230 HydrophobicContact CG2-CE1 3.44Å; I192-Y230 VanDerWaalsContact CG2-CE1 3.44Å; I192-L247 HydrophobicContact CD1-CD1 4.02Å; I192-L247 HydrophobicContact CD1-CD2 3.62Å; I192-L247 HydrophobicContact CD1-CG 3.84Å; I192-L247 HydrophobicContact CG1-CD2 4.02Å; I192-I346 HydrophobicContact CD1-CD1 3.63Å; I192-I346 HydrophobicContact CD1-CG1 4.24Å; I192-V356 HydrophobicContact CD1-CG2 4.17Å; I192-V356 HydrophobicContact CG1-CG2 4.45Å |
| 193 | E | 57.7 | Low | 65.3 | Low | 35 Ų | 35 | 51.1 Ų | 51.1 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -2.5 | -173.5 | -54.8 | -157.2 | -141.1 | 0 | 0 | 113.5 | Y188 F198 Y230 | Y188-E193 HydrophobicContact CD1-CB 4.15Å; Y188-E193 HydrophobicContact CD1-CG 3.95Å; Y188-E193 WeakPolarHBondContact CD1-OE1 3.48Å; Y188-E193 WeakPolarHBondContact CD1-OE2 3.42Å; Y188-E193 HydrophobicContact CD2-CB 4.05Å; Y188-E193 HydrophobicContact CE1-CG 4.33Å; Y188-E193 WeakPolarHBondContact CE1-OE1 3.18Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.31Å; Y188-E193 HydrophobicContact CG-CB 3.78Å; Y188-E193 HydrophobicContact CG-CG 4.11Å; Y188-E193 PolarHBondContact OH-OE2 3.42Å; E193-F198 HydrophobicContact CB-CD1 3.84Å; E193-F198 HydrophobicContact CB-CE1 3.58Å; E193-F198 HydrophobicContact CB-CZ 4.19Å; E193-F198 HydrophobicContact CG-CD1 4.13Å; E193-F198 HydrophobicContact CG-CE1 3.49Å; E193-F198 VanDerWaalsContact CG-CE1 3.49Å; E193-F198 HydrophobicContact CG-CE2 4.26Å; E193-F198 HydrophobicContact CG-CZ 3.57Å; E193-F198 WeakPolarHBondContact OE2-CE1 3.42Å; E193-F198 VanDerWaalsContact OE2-CZ 3.23Å; E193-F198 WeakPolarHBondContact OE2-CZ 3.36Å; E193-Y230 HydrophobicContact CG-CE1 4.13Å; E193-Y230 WeakPolarHBondContact CG-OH 3.19Å; E193-Y230 PolarHBondContact OE1-OH 3.14Å; E193-Y230 VanDerWaalsContact OE1-OH 3.09Å |
| 194 | R | 54.3 | Low | 63.7 | Low | 145 Ų | 145 | 55.9 Ų | 55.9 | 55% | 0.547 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -11.6 | 169.4 | -68.3 | -170.5 | -177.5 | 165.4 | 7.1 | 114.5 | E190 I192 D196 | E190-R194 IonicContact OE1-CZ 3.11Å; E190-R194 IonicContact OE1-NH1 2.72Å; E190-R194 PolarHBondContact OE1-NH1 3.15Å; E190-R194 IonicContact OE1-NH2 2.72Å; E190-R194 PolarHBondContact OE1-NH2 3.36Å; E190-R194 IonicContact OE2-NH1 3.51Å; I192-R194 PolarHBondContact O-N 2.88Å; I192-R194 VanDerWaalsContact O-N 3.07Å; R194-D196 PolarHBondContact O-N 3.29Å |
| 195 | L | 65.2 | Low | 63 | Low | 33 Ų | 33 | 60.5 Ų | 60.5 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -65.9 | 126.5 | 179.3 | -62 | 166.9 | 0 | 0 | 0 | 108.9 | I192 F197 F198 L220 V356 | I192-L195 HydrophobicContact CB-CD1 4.39Å; I192-L195 HydrophobicContact CG1-CD1 4.49Å; I192-L195 HydrophobicContact CG2-CD1 4.19Å; I192-L195 WeakPolarHBondContact O-CB 3.26Å; I192-L195 WeakPolarHBondContact O-CD1 3.33Å; I192-L195 VanDerWaalsContact O-CG 3.29Å; I192-L195 WeakPolarHBondContact O-CG 3.32Å; I192-L195 PolarHBondContact O-N 3.41Å; L195-F197 HydrophobicContact CB-CD1 4.29Å; L195-F197 HydrophobicContact CB-CD2 4.28Å; L195-F197 HydrophobicContact CB-CE1 3.96Å; L195-F197 HydrophobicContact CB-CE2 3.93Å; L195-F197 HydrophobicContact CB-CG 4.47Å; L195-F197 HydrophobicContact CB-CZ 3.79Å; L195-F197 HydrophobicContact CD1-CE2 3.81Å; L195-F197 HydrophobicContact CD1-CZ 3.66Å; L195-F197 HydrophobicContact CD2-CE1 4.22Å; L195-F197 HydrophobicContact CD2-CZ 4.04Å; L195-F197 HydrophobicContact CG-CE1 4.46Å; L195-F197 HydrophobicContact CG-CE2 4.39Å; L195-F197 HydrophobicContact CG-CZ 4.03Å; L195-F197 PolarHBondContact O-N 2.92Å; L195-F198 HydrophobicContact CB-CB 4.47Å; L195-F198 WeakPolarHBondContact O-CB 3.48Å; L195-F198 PolarHBondContact O-N 2.58Å; L195-L220 HydrophobicContact CD1-CD2 4.3Å; L195-V356 HydrophobicContact CD1-CB 4.38Å; L195-V356 HydrophobicContact CD1-CG2 3.73Å |
| 196 | D | 67.2 | Low | 62.5 | Low | 86 Ų | 86 | 57.7 Ų | 57.7 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.6 | -172.6 | -73 | -63.3 | 0 | 0 | 0 | 114.1 | R194 F422 R423 R425 | R194-D196 PolarHBondContact O-N 3.29Å; D196-F422 HydrophobicContact CB-CD1 3.55Å; D196-F422 HydrophobicContact CB-CE1 4.07Å; D196-F422 CarbonylContact O-C 3.52Å; D196-F422 VanDerWaalsContact O-CA 3.28Å; D196-F422 WeakPolarHBondContact O-CA 3.3Å; D196-R423 PolarHBondContact O-N 3.2Å; D196-R425 IonicContact OD1-NH2 2.95Å; D196-R425 PolarHBondContact OD1-NH2 2.79Å |
| 197 | F | 76.9 | Confident | 62.7 | Low | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.1 | 172 | 57 | -100.1 | 0 | 0 | 0 | 114.6 | L195 H199 Y218 L220 V356 E357 P420 | L195-F197 HydrophobicContact CB-CD1 4.29Å; L195-F197 HydrophobicContact CB-CD2 4.28Å; L195-F197 HydrophobicContact CB-CE1 3.96Å; L195-F197 HydrophobicContact CB-CE2 3.93Å; L195-F197 HydrophobicContact CB-CG 4.47Å; L195-F197 HydrophobicContact CB-CZ 3.79Å; L195-F197 HydrophobicContact CD1-CE2 3.81Å; L195-F197 HydrophobicContact CD1-CZ 3.66Å; L195-F197 HydrophobicContact CD2-CE1 4.22Å; L195-F197 HydrophobicContact CD2-CZ 4.04Å; L195-F197 HydrophobicContact CG-CE1 4.46Å; L195-F197 HydrophobicContact CG-CE2 4.39Å; L195-F197 HydrophobicContact CG-CZ 4.03Å; L195-F197 PolarHBondContact O-N 2.92Å; F197-H199 PolarHBondContact O-CD2 3.29Å; F197-H199 VanDerWaalsContact O-CD2 3.25Å; F197-Y218 HydrophobicContact CD1-CE2 4.03Å; F197-Y218 HydrophobicContact CD2-CD2 4.14Å; F197-Y218 AromaticContact CD2-CE2 3.64Å; F197-Y218 HydrophobicContact CD2-CE2 3.64Å; F197-Y218 HydrophobicContact CE1-CE2 4.06Å; F197-Y218 HydrophobicContact CE2-CD2 4.42Å; F197-Y218 AromaticContact CE2-CE2 3.7Å; F197-Y218 HydrophobicContact CE2-CE2 3.7Å; F197-Y218 HydrophobicContact CG-CD2 4.47Å; F197-Y218 AromaticContact CG-CE2 3.8Å; F197-Y218 HydrophobicContact CG-CE2 3.8Å; F197-Y218 AromaticContact CZ-CE2 3.89Å; F197-Y218 HydrophobicContact CZ-CE2 3.89Å; F197-L220 HydrophobicContact CD2-CB 3.99Å; F197-L220 HydrophobicContact CE2-CB 4.17Å; F197-L220 HydrophobicContact CE2-CD2 4.3Å; F197-L220 PolarHBondContact O-N 3.33Å; F197-V356 HydrophobicContact CE2-CG1 4.16Å; F197-V356 HydrophobicContact CZ-CB 4.43Å; F197-V356 HydrophobicContact CZ-CG1 4.44Å; F197-E357 WeakPolarHBondContact CZ-OE1 3.41Å; F197-P420 HydrophobicContact CB-CB 3.65Å; F197-P420 HydrophobicContact CD1-CB 3.49Å; F197-P420 VanDerWaalsContact CD1-CB 3.49Å; F197-P420 HydrophobicContact CD1-CG 4.48Å; F197-P420 HydrophobicContact CE1-CB 4.36Å; F197-P420 HydrophobicContact CG-CB 3.82Å |
| 198 | F | 76.6 | Confident | 63.6 | Low | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -88.3 | 133.4 | 173 | 179.8 | -106.4 | 0 | 0 | 0 | 111.8 | I192 E193 L195 P200 L220 P222 Y230 | I192-F198 HydrophobicContact CG2-CD2 4.5Å; E193-F198 HydrophobicContact CB-CD1 3.84Å; E193-F198 HydrophobicContact CB-CE1 3.58Å; E193-F198 HydrophobicContact CB-CZ 4.19Å; E193-F198 HydrophobicContact CG-CD1 4.13Å; E193-F198 HydrophobicContact CG-CE1 3.49Å; E193-F198 VanDerWaalsContact CG-CE1 3.49Å; E193-F198 HydrophobicContact CG-CE2 4.26Å; E193-F198 HydrophobicContact CG-CZ 3.57Å; E193-F198 WeakPolarHBondContact OE2-CE1 3.42Å; E193-F198 VanDerWaalsContact OE2-CZ 3.23Å; E193-F198 WeakPolarHBondContact OE2-CZ 3.36Å; L195-F198 HydrophobicContact CB-CB 4.47Å; L195-F198 WeakPolarHBondContact O-CB 3.48Å; L195-F198 PolarHBondContact O-N 2.58Å; F198-P200 HydrophobicContact CD1-CB 4.43Å; F198-P200 HydrophobicContact CE1-CB 3.67Å; F198-P200 HydrophobicContact CE1-CG 4.35Å; F198-P200 HydrophobicContact CZ-CB 4.27Å; F198-L220 CarbonylContact C-O 3.54Å; F198-L220 WeakPolarHBondContact CA-O 3.47Å; F198-L220 HydrophobicContact CD2-CB 4.28Å; F198-L220 HydrophobicContact CD2-CD2 4.46Å; F198-L220 HydrophobicContact CD2-CG 4.08Å; F198-P222 HydrophobicContact CE2-CG 4.35Å; F198-P222 HydrophobicContact CZ-CG 4.01Å; F198-Y230 HydrophobicContact CD2-CE1 4.43Å; F198-Y230 AromaticContact CE2-CD1 3.87Å; F198-Y230 HydrophobicContact CE2-CD1 3.87Å; F198-Y230 AromaticContact CE2-CE1 3.66Å; F198-Y230 HydrophobicContact CE2-CE1 3.66Å; F198-Y230 HydrophobicContact CZ-CE1 4.15Å |
| 199 | H | 77.5 | Confident | 65.1 | Low | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.06 | 34% | 0.339 | C | S | . | . | trans | -120 | 100.5 | -180 | -62.4 | -104 | 0 | 0 | 0 | 108.2 | F197 T203 L220 R221 P222 L421 | F197-H199 PolarHBondContact O-CD2 3.29Å; F197-H199 VanDerWaalsContact O-CD2 3.25Å; H199-T203 HydrophobicContact CB-CG2 4.22Å; H199-L220 PolarHBondContact N-O 2.92Å; H199-R221 WeakPolarHBondContact O-CA 3.46Å; H199-R221 VanDerWaalsContact O-CB 3.27Å; H199-R221 WeakPolarHBondContact O-CB 3.4Å; H199-P222 WeakPolarHBondContact O-CD 3.46Å; H199-L421 PolarHBondContact NE2-O 2.55Å | ||
| 200 | P | 63.4 | Low | 66.8 | Low | 33 Ų | 33 | 64 Ų | 64 | 21% | 0.214 | 33% | 0.326 | C | S | . | . | trans | -71.3 | -37.6 | -173.7 | 24.5 | -32.1 | 0 | 0 | 0 | 112.9 | F198 R423 | F198-P200 HydrophobicContact CD1-CB 4.43Å; F198-P200 HydrophobicContact CE1-CB 3.67Å; F198-P200 HydrophobicContact CE1-CG 4.35Å; F198-P200 HydrophobicContact CZ-CB 4.27Å; P200-R423 VanDerWaalsContact CG-CZ 3.48Å | ||
| 201 | D | 60.9 | Low | 68.6 | Low | 87 Ų | 87 | 64.3 Ų | 64.3 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -75.1 | 150.2 | 179.8 | -42.3 | -69.4 | 0 | 0 | 0 | 109.9 | T203 R423 | D201-T203 PolarHBondContact O-N 3.16Å; D201-R423 IonicContact OD2-CZ 3.62Å; D201-R423 IonicContact OD2-NH2 3.68Å; D201-R423 PolarHBondContact OD2-NH2 3.13Å |
| 202 | P | 57.9 | Low | 70 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | trans | -67.6 | 79.1 | 165.8 | 30.2 | -34.2 | 0 | 0 | 0 | 109.2 | ||||
| 203 | T | 58.9 | Low | 71.2 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 16% | 0.16 | 37% | 0.365 | C | S | . | . | trans | -50.1 | 126.7 | -179.9 | 33.9 | 0 | 0 | 0 | 0 | 109.8 | H199 D201 H205 P206 L209 | H199-T203 HydrophobicContact CB-CG2 4.22Å; D201-T203 PolarHBondContact O-N 3.16Å; T203-H205 PolarHBondContact O-N 2.8Å; T203-H205 VanDerWaalsContact O-N 3.12Å; T203-P206 WeakPolarHBondContact O-CD 3.23Å; T203-L209 HydrophobicContact CG2-CD1 4.34Å | ||
| 204 | P | 53.9 | Low | 72.3 | Confident | 106 Ų | 106 | 71.1 Ų | 71.1 | 69% | 0.688 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -62.2 | 121.5 | 175.2 | 25.8 | -33.1 | 0 | 0 | 0 | 108.2 | ||
| 205 | H | 72.4 | Confident | 73.8 | Confident | 112 Ų | 112 | 67.9 Ų | 67.9 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | trans | 62.2 | 62.3 | 177.5 | -41.1 | -86.9 | 0 | 0 | 0 | 116 | T203 K207 E208 L209 | T203-H205 PolarHBondContact O-N 2.8Å; T203-H205 VanDerWaalsContact O-N 3.12Å; H205-K207 PolarHBondContact O-N 3.08Å; H205-E208 HydrophobicContact CB-CB 3.97Å; H205-E208 HydrophobicContact CB-CG 3.95Å; H205-E208 WeakPolarHBondContact CB-OE1 3.36Å; H205-E208 IonicContact CG-OE1 3.33Å; H205-E208 IonicContact CG-OE2 2.74Å; H205-E208 IonicContact ND1-OE1 2.92Å; H205-E208 PolarHBondContact ND1-OE1 3.07Å; H205-E208 WeakPolarHBondContact O-CB 3.47Å; H205-E208 PolarHBondContact O-N 2.9Å; H205-L209 PolarHBondContact O-N 2.96Å | ||
| 206 | P | 74.2 | Confident | 74.8 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.9 | -24.2 | -178.3 | 30.4 | -34 | 0 | 0 | 0 | 112.6 | T203 E208 L210 L219 L233 | T203-P206 WeakPolarHBondContact O-CD 3.23Å; P206-E208 VanDerWaalsContact C-N 3.3Å; P206-E208 PolarHBondContact O-N 3.45Å; P206-L210 PolarHBondContact O-N 2.78Å; P206-L219 HydrophobicContact CB-CD2 4.41Å; P206-L233 HydrophobicContact CB-CD1 3.86Å; P206-L233 HydrophobicContact CG-CD1 4.14Å |
| 207 | K | 80.1 | Confident | 75.7 | Confident | 123 Ų | 123 | 64.8 Ų | 64.8 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 171.3 | -67.3 | -177.8 | 179 | 178 | 0 | 112.3 | H205 K211 V240 | H205-K207 PolarHBondContact O-N 3.08Å; K207-K211 WeakPolarHBondContact O-CG 3.45Å; K207-K211 PolarHBondContact O-N 2.81Å; K207-V240 HydrophobicContact CB-CG2 4.45Å; K207-V240 HydrophobicContact CG-CB 4.44Å; K207-V240 HydrophobicContact CG-CG1 4.4Å; K207-V240 HydrophobicContact CG-CG2 4.5Å |
| 208 | E | 82 | Confident | 76.3 | Confident | 118 Ų | 118 | 65 Ų | 65 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -78.7 | -36.5 | -179.1 | -69.2 | 166.7 | -143 | 0 | 0 | 111.1 | H205 P206 L210 K211 K212 | H205-E208 HydrophobicContact CB-CB 3.97Å; H205-E208 HydrophobicContact CB-CG 3.95Å; H205-E208 WeakPolarHBondContact CB-OE1 3.36Å; H205-E208 IonicContact CG-OE1 3.33Å; H205-E208 IonicContact CG-OE2 2.74Å; H205-E208 IonicContact ND1-OE1 2.92Å; H205-E208 PolarHBondContact ND1-OE1 3.07Å; H205-E208 WeakPolarHBondContact O-CB 3.47Å; H205-E208 PolarHBondContact O-N 2.9Å; P206-E208 VanDerWaalsContact C-N 3.3Å; P206-E208 PolarHBondContact O-N 3.45Å; E208-L210 VanDerWaalsContact C-N 3.34Å; E208-L210 PolarHBondContact O-N 2.87Å; E208-K211 PolarHBondContact O-N 2.85Å; E208-K212 WeakPolarHBondContact O-CB 3.22Å; E208-K212 PolarHBondContact O-N 2.82Å |
| 209 | L | 82.6 | Confident | 76.9 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | 171.1 | -67.1 | 176.7 | 0 | 0 | 0 | 111.7 | T203 H205 K212 A213 L421 | T203-L209 HydrophobicContact CG2-CD1 4.34Å; H205-L209 PolarHBondContact O-N 2.96Å; L209-K212 PolarHBondContact O-N 2.87Å; L209-A213 WeakPolarHBondContact O-CB 3.3Å; L209-A213 PolarHBondContact O-N 3.45Å; L209-L421 HydrophobicContact CB-CD2 3.99Å; L209-L421 WeakPolarHBondContact O-CD2 3.46Å |
| 210 | L | 83.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 174.9 | -68.4 | 166.4 | 0 | 0 | 0 | 112.6 | P206 E208 K212 A213 G214 S217 L219 L233 Y235 V240 L421 | P206-L210 PolarHBondContact O-N 2.78Å; E208-L210 VanDerWaalsContact C-N 3.34Å; E208-L210 PolarHBondContact O-N 2.87Å; L210-K212 PolarHBondContact O-N 3.26Å; L210-A213 WeakPolarHBondContact O-CB 3.23Å; L210-A213 PolarHBondContact O-N 3.06Å; L210-A213 VanDerWaalsContact O-N 3.07Å; L210-G214 PolarHBondContact O-N 2.76Å; L210-G214 VanDerWaalsContact O-N 3.11Å; L210-S217 PolarHBondContact O-OG 3.45Å; L210-L219 HydrophobicContact CD1-CD2 4.42Å; L210-L219 HydrophobicContact CD1-CG 4.42Å; L210-L219 HydrophobicContact CD2-CB 4.29Å; L210-L219 HydrophobicContact CD2-CD2 4.18Å; L210-L219 HydrophobicContact CD2-CG 4.24Å; L210-L219 HydrophobicContact CG-CD2 4.06Å; L210-L219 HydrophobicContact CG-CG 4.41Å; L210-L233 HydrophobicContact CD1-CB 3.55Å; L210-L233 HydrophobicContact CD1-CD1 4.23Å; L210-Y235 WeakPolarHBondContact O-CD1 3.21Å; L210-V240 HydrophobicContact CD1-CG1 3.76Å; L210-L421 HydrophobicContact CD2-CD2 4.03Å; L210-L421 HydrophobicContact CG-CD2 4.45Å |
| 211 | K | 83.1 | Confident | 77.9 | Confident | 130 Ų | 130 | 63.2 Ų | 63.2 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.7 | -37.9 | 175.1 | -79.1 | -176.4 | 172.9 | -166.3 | 0 | 112.5 | K207 E208 G214 Y235 | K207-K211 WeakPolarHBondContact O-CG 3.45Å; K207-K211 PolarHBondContact O-N 2.81Å; E208-K211 PolarHBondContact O-N 2.85Å; K211-G214 PolarHBondContact O-N 3.02Å; K211-Y235 HydrophobicContact CB-CE1 4.44Å; K211-Y235 HydrophobicContact CG-CE1 4.2Å; K211-Y235 HydrophobicContact CG-CE2 4.46Å |
| 212 | K | 84.3 | Confident | 78.5 | Confident | 189 Ų | 189 | 61.5 Ų | 61.5 | 82% | 0.822 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -76.7 | -24.4 | 177.8 | -172.1 | 168.4 | -176.3 | 168.9 | 0 | 113.7 | E208 L209 L210 G214 | E208-K212 WeakPolarHBondContact O-CB 3.22Å; E208-K212 PolarHBondContact O-N 2.82Å; L209-K212 PolarHBondContact O-N 2.87Å; L210-K212 PolarHBondContact O-N 3.26Å; K212-G214 VanDerWaalsContact C-N 3.34Å |
| 213 | A | 81.9 | Confident | 79.2 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.7 | -24.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L209 L210 L421 | L209-A213 WeakPolarHBondContact O-CB 3.3Å; L209-A213 PolarHBondContact O-N 3.45Å; L210-A213 WeakPolarHBondContact O-CB 3.23Å; L210-A213 PolarHBondContact O-N 3.06Å; L210-A213 VanDerWaalsContact O-N 3.07Å; A213-L421 HydrophobicContact CB-CD1 3.75Å; A213-L421 HydrophobicContact CB-CD2 3.94Å; A213-L421 HydrophobicContact CB-CG 4.35Å |
| 214 | G | 82.7 | Confident | 79.6 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 19% | 0.186 | 32% | 0.318 | C | S | . | . | trans | 104.1 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L210 K211 K212 S217 Y235 | L210-G214 PolarHBondContact O-N 2.76Å; L210-G214 VanDerWaalsContact O-N 3.11Å; K211-G214 PolarHBondContact O-N 3.02Å; K212-G214 VanDerWaalsContact C-N 3.34Å; G214-S217 WeakPolarHBondContact O-CB 3.15Å; G214-S217 PolarHBondContact O-OG 3.12Å; G214-Y235 WeakPolarHBondContact O-CD1 3.36Å | ||
| 215 | P | 84.3 | Confident | 80.4 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 51% | 0.506 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -60.8 | 149.1 | 179.7 | 29.3 | -37.2 | 0 | 0 | 0 | 111.2 | ||
| 216 | F | 86 | Confident | 79.4 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 21% | 0.211 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 60 | 46.3 | -176.2 | -42.9 | -67.1 | 0 | 0 | 0 | 112.3 | Y235 H416 F418 K419 | F216-Y235 VanDerWaalsContact CA-O 3.32Å; F216-Y235 WeakPolarHBondContact CA-O 3.32Å; F216-Y235 PolarHBondContact N-O 3.13Å; F216-H416 HydrophobicContact CD1-CB 3.68Å; F216-H416 AromaticContact CD2-ND1 3.72Å; F216-H416 HydrophobicContact CE1-CB 3.7Å; F216-H416 AromaticContact CE1-CG 3.69Å; F216-H416 AromaticContact CE1-ND1 3.55Å; F216-H416 AromaticContact CE2-CE1 3.74Å; F216-H416 AromaticContact CE2-ND1 3.14Å; F216-H416 WeakPolarHBondContact CE2-ND1 3.47Å; F216-H416 HydrophobicContact CG-CB 4.13Å; F216-H416 HydrophobicContact CZ-CB 4.17Å; F216-H416 AromaticContact CZ-CE1 3.54Å; F216-H416 AromaticContact CZ-CG 3.68Å; F216-H416 AromaticContact CZ-ND1 3.06Å; F216-H416 WeakPolarHBondContact CZ-ND1 2.94Å; F216-F418 HydrophobicContact CB-CD1 4.24Å; F216-F418 HydrophobicContact CB-CE1 4.48Å; F216-F418 HydrophobicContact CB-CG 4.47Å; F216-F418 HydrophobicContact CD1-CE1 4.23Å; F216-F418 HydrophobicContact CD1-CE2 4.31Å; F216-F418 HydrophobicContact CD1-CZ 4.01Å; F216-F418 CarbonylContact O-C 3.53Å; F216-F418 WeakPolarHBondContact O-CA 3.38Å; F216-K419 PolarHBondContact O-N 3.48Å |
| 217 | S | 87.7 | Confident | 78.2 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 151 | 171.1 | 60 | 0 | 0 | 0 | 0 | 111.1 | L210 G214 Y235 K419 | L210-S217 PolarHBondContact O-OG 3.45Å; G214-S217 WeakPolarHBondContact O-CB 3.15Å; G214-S217 PolarHBondContact O-OG 3.12Å; S217-Y235 PolarHBondContact O-N 3.14Å; S217-K419 CarbonylContact C-O 3.57Å; S217-K419 WeakPolarHBondContact CA-O 3.46Å |
| 218 | Y | 89.6 | Confident | 76.9 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 6% | 0.059 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.7 | 174.9 | 71.8 | -90.9 | 0 | 0 | 0 | 113.5 | F197 L232 L233 I360 F418 K419 P420 L421 | F197-Y218 HydrophobicContact CD1-CE2 4.03Å; F197-Y218 HydrophobicContact CD2-CD2 4.14Å; F197-Y218 AromaticContact CD2-CE2 3.64Å; F197-Y218 HydrophobicContact CD2-CE2 3.64Å; F197-Y218 HydrophobicContact CE1-CE2 4.06Å; F197-Y218 HydrophobicContact CE2-CD2 4.42Å; F197-Y218 AromaticContact CE2-CE2 3.7Å; F197-Y218 HydrophobicContact CE2-CE2 3.7Å; F197-Y218 HydrophobicContact CG-CD2 4.47Å; F197-Y218 AromaticContact CG-CE2 3.8Å; F197-Y218 HydrophobicContact CG-CE2 3.8Å; F197-Y218 AromaticContact CZ-CE2 3.89Å; F197-Y218 HydrophobicContact CZ-CE2 3.89Å; Y218-L232 HydrophobicContact CD2-CD1 3.92Å; Y218-L232 HydrophobicContact CG-CD1 4.48Å; Y218-L233 CarbonylContact C-O 3.46Å; Y218-L233 WeakPolarHBondContact CA-O 3.48Å; Y218-L233 WeakPolarHBondContact CB-O 3.34Å; Y218-I360 HydrophobicContact CD1-CD1 3.99Å; Y218-I360 HydrophobicContact CD2-CD1 3.56Å; Y218-I360 HydrophobicContact CE1-CD1 3.72Å; Y218-I360 HydrophobicContact CE2-CD1 3.31Å; Y218-I360 HydrophobicContact CG-CD1 3.88Å; Y218-F418 HydrophobicContact CD1-CB 3.83Å; Y218-F418 HydrophobicContact CE1-CB 4.31Å; Y218-F418 WeakPolarHBondContact CE1-O 3.46Å; Y218-K419 VanDerWaalsContact CD1-O 3.24Å; Y218-K419 WeakPolarHBondContact CD1-O 3.42Å; Y218-K419 PolarHBondContact N-O 3.04Å; Y218-P420 HydrophobicContact CE1-CB 4.06Å; Y218-P420 HydrophobicContact CE1-CG 4.41Å; Y218-P420 HydrophobicContact CE2-CB 3.98Å; Y218-L421 WeakPolarHBondContact O-CB 3.08Å; Y218-L421 PolarHBondContact O-N 2.94Å |
| 219 | L | 88.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.4 | 168.5 | 79.7 | 78.8 | 0 | 0 | 0 | 111 | P206 L210 R221 L233 L421 | P206-L219 HydrophobicContact CB-CD2 4.41Å; L210-L219 HydrophobicContact CD1-CD2 4.42Å; L210-L219 HydrophobicContact CD1-CG 4.42Å; L210-L219 HydrophobicContact CD2-CB 4.29Å; L210-L219 HydrophobicContact CD2-CD2 4.18Å; L210-L219 HydrophobicContact CD2-CG 4.24Å; L210-L219 HydrophobicContact CG-CD2 4.06Å; L210-L219 HydrophobicContact CG-CG 4.41Å; L219-R221 HydrophobicContact CD1-CB 4.2Å; L219-R221 HydrophobicContact CD1-CG 4.13Å; L219-L233 HydrophobicContact CD1-CD1 4.01Å; L219-L233 HydrophobicContact CD1-CG 4.44Å; L219-L233 HydrophobicContact CG-CB 4.34Å; L219-L233 HydrophobicContact CG-CD1 4.28Å; L219-L233 PolarHBondContact N-O 2.93Å; L219-L233 PolarHBondContact O-N 3.14Å; L219-L421 HydrophobicContact CB-CB 4.28Å; L219-L421 HydrophobicContact CD2-CD2 4.2Å |
| 220 | L | 83.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.5 | 177.9 | -171.6 | 60.9 | 0 | 0 | 0 | 110.5 | I192 L195 F197 F198 H199 Y230 L232 L245 V356 | I192-L220 HydrophobicContact CG2-CD2 3.43Å; I192-L220 VanDerWaalsContact CG2-CD2 3.43Å; I192-L220 HydrophobicContact CG2-CG 4.44Å; L195-L220 HydrophobicContact CD1-CD2 4.3Å; F197-L220 HydrophobicContact CD2-CB 3.99Å; F197-L220 HydrophobicContact CE2-CB 4.17Å; F197-L220 HydrophobicContact CE2-CD2 4.3Å; F197-L220 PolarHBondContact O-N 3.33Å; F198-L220 CarbonylContact C-O 3.54Å; F198-L220 WeakPolarHBondContact CA-O 3.47Å; F198-L220 HydrophobicContact CD2-CB 4.28Å; F198-L220 HydrophobicContact CD2-CD2 4.46Å; F198-L220 HydrophobicContact CD2-CG 4.08Å; H199-L220 PolarHBondContact N-O 2.92Å; L220-Y230 HydrophobicContact CG-CD1 4.42Å; L220-L232 HydrophobicContact CD1-CB 3.97Å; L220-L232 HydrophobicContact CD1-CD1 4.47Å; L220-L245 HydrophobicContact CD1-CD1 3.94Å; L220-V356 HydrophobicContact CD2-CG1 4.29Å; L220-V356 HydrophobicContact CD2-CG2 3.81Å |
| 221 | R | 79.5 | Confident | 75.9 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 6% | 0.057 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 166.5 | -179.8 | 60 | 173.6 | -163.6 | 122.1 | 23.8 | 111.6 | H199 L219 D224 T231 | H199-R221 WeakPolarHBondContact O-CA 3.46Å; H199-R221 VanDerWaalsContact O-CB 3.27Å; H199-R221 WeakPolarHBondContact O-CB 3.4Å; L219-R221 HydrophobicContact CD1-CB 4.2Å; L219-R221 HydrophobicContact CD1-CG 4.13Å; R221-D224 IonicContact CZ-OD1 2.84Å; R221-D224 IonicContact CZ-OD2 3.72Å; R221-D224 IonicContact NH1-OD1 2.8Å; R221-D224 PolarHBondContact NH1-OD1 2.68Å; R221-D224 IonicContact NH1-OD2 3.22Å; R221-D224 IonicContact NH2-OD1 2.72Å; R221-D224 PolarHBondContact NH2-OD1 2.79Å; R221-D224 IonicContact NH2-OD2 3.64Å; R221-D224 PolarHBondContact NH2-OD2 3.01Å; R221-T231 WeakPolarHBondContact CG-O 3.43Å; R221-T231 PolarHBondContact N-O 2.64Å; R221-T231 PolarHBondContact O-N 2.83Å |
| 222 | P | 72.6 | Confident | 76.1 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 158.1 | 169 | -24.9 | 36.3 | 0 | 0 | 0 | 113.1 | F198 H199 | F198-P222 HydrophobicContact CE2-CG 4.35Å; F198-P222 HydrophobicContact CZ-CG 4.01Å; H199-P222 WeakPolarHBondContact O-CD 3.46Å |
| 223 | C | 71.9 | Confident | 76.2 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 8% | 0.081 | 25% | 0.254 | C | S | . | . | trans | -93 | 110.7 | -179.9 | -166.7 | 0 | 0 | 0 | 0 | 112.9 | S225 R226 L229 T231 R244 | C223-S225 PolarHBondContact O-N 3.45Å; C223-S225 PolarHBondContact SG-OG 3.38Å; C223-S225 VanDerWaalsContact SG-OG 3.34Å; C223-R226 CarbonylContact O-C 3.58Å; C223-R226 PolarHBondContact O-N 2.87Å; C223-R226 VanDerWaalsContact O-N 3.14Å; C223-L229 HydrophobicContact CB-CB 3.91Å; C223-L229 WeakPolarHBondContact CB-O 3.49Å; C223-L229 PolarHBondContact N-O 2.83Å; C223-T231 WeakPolarHBondContact CA-OG1 3.38Å; C223-T231 WeakPolarHBondContact CB-OG1 3.41Å; C223-T231 PolarHBondContact SG-OG1 2.9Å; C223-R244 PolarHBondContact SG-NH2 3.1Å; C223-R244 VanDerWaalsContact SG-NH2 3.35Å | ||
| 224 | D | 68.8 | Low | 76.5 | Confident | 111 Ų | 111 | 39.2 Ų | 39.2 | 59% | 0.594 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | -32.4 | 177.3 | -33.3 | -42.6 | 0 | 0 | 0 | 114.6 | R221 | R221-D224 IonicContact CZ-OD1 2.84Å; R221-D224 IonicContact CZ-OD2 3.72Å; R221-D224 IonicContact NH1-OD1 2.8Å; R221-D224 PolarHBondContact NH1-OD1 2.68Å; R221-D224 IonicContact NH1-OD2 3.22Å; R221-D224 IonicContact NH2-OD1 2.72Å; R221-D224 PolarHBondContact NH2-OD1 2.79Å; R221-D224 IonicContact NH2-OD2 3.64Å; R221-D224 PolarHBondContact NH2-OD2 3.01Å |
| 225 | S | 68.9 | Low | 76.7 | Confident | 75 Ų | 75 | 39.9 Ų | 39.9 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -14.4 | -170.7 | 66 | 0 | 0 | 0 | 0 | 115.4 | C223 R244 | C223-S225 PolarHBondContact O-N 3.45Å; C223-S225 PolarHBondContact SG-OG 3.38Å; C223-S225 VanDerWaalsContact SG-OG 3.34Å; S225-R244 PolarHBondContact OG-NH1 3.38Å; S225-R244 VanDerWaalsContact OG-NH1 3.14Å; S225-R244 PolarHBondContact OG-NH2 3.24Å |
| 226 | R | 52.7 | Low | 76.5 | Confident | 135 Ų | 135 | 37 Ų | 37 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -154.8 | 114.2 | 178.1 | -66.7 | -165.7 | -143.1 | 151.8 | 0.8 | 109.7 | C223 L229 | C223-R226 CarbonylContact O-C 3.58Å; C223-R226 PolarHBondContact O-N 2.87Å; C223-R226 VanDerWaalsContact O-N 3.14Å; R226-L229 HydrophobicContact CB-CB 4.44Å; R226-L229 HydrophobicContact CB-CD1 4.06Å; R226-L229 HydrophobicContact CB-CG 4.27Å; R226-L229 HydrophobicContact CG-CD1 4.47Å; R226-L229 PolarHBondContact O-N 3.41Å |
| 227 | P | 48.3 | Very low | 76.1 | Confident | 133 Ų | 133 | 35.9 Ų | 35.9 | 86% | 0.864 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 150 | 170.7 | 26.8 | -33.7 | 0 | 0 | 0 | 110.7 | L229 | P227-L229 VanDerWaalsContact C-N 3.27Å; P227-L229 PolarHBondContact O-N 2.93Å |
| 228 | G | 52.1 | Low | 75.8 | Confident | 66 Ų | 66 | 41.4 Ų | 41.4 | 68% | 0.68 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83 | -14 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 229 | L | 67.4 | Low | 75.5 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | trans | -102.4 | 158.5 | 173.1 | -64 | -170.9 | 0 | 0 | 0 | 112.7 | C223 R226 P227 E246 | C223-L229 HydrophobicContact CB-CB 3.91Å; C223-L229 WeakPolarHBondContact CB-O 3.49Å; C223-L229 PolarHBondContact N-O 2.83Å; R226-L229 HydrophobicContact CB-CB 4.44Å; R226-L229 HydrophobicContact CB-CD1 4.06Å; R226-L229 HydrophobicContact CB-CG 4.27Å; R226-L229 HydrophobicContact CG-CD1 4.47Å; R226-L229 PolarHBondContact O-N 3.41Å; P227-L229 VanDerWaalsContact C-N 3.27Å; P227-L229 PolarHBondContact O-N 2.93Å; L229-E246 HydrophobicContact CD2-CB 3.64Å; L229-E246 HydrophobicContact CD2-CG 3.67Å | ||
| 230 | Y | 76.1 | Confident | 75.3 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 154.2 | -177.8 | -70.6 | -111.8 | 0 | 0 | 0 | 110.8 | I192 E193 F198 L220 L245 L247 | I192-Y230 HydrophobicContact CB-CE1 4.21Å; I192-Y230 HydrophobicContact CG2-CD1 3.77Å; I192-Y230 HydrophobicContact CG2-CE1 3.44Å; I192-Y230 VanDerWaalsContact CG2-CE1 3.44Å; E193-Y230 HydrophobicContact CG-CE1 4.13Å; E193-Y230 WeakPolarHBondContact CG-OH 3.19Å; E193-Y230 PolarHBondContact OE1-OH 3.14Å; E193-Y230 VanDerWaalsContact OE1-OH 3.09Å; F198-Y230 HydrophobicContact CD2-CE1 4.43Å; F198-Y230 AromaticContact CE2-CD1 3.87Å; F198-Y230 HydrophobicContact CE2-CD1 3.87Å; F198-Y230 AromaticContact CE2-CE1 3.66Å; F198-Y230 HydrophobicContact CE2-CE1 3.66Å; F198-Y230 HydrophobicContact CZ-CE1 4.15Å; L220-Y230 HydrophobicContact CG-CD1 4.42Å; Y230-L245 PolarHBondContact N-O 3.07Å; Y230-L245 PolarHBondContact O-N 3.05Å; Y230-L247 HydrophobicContact CD2-CD1 3.31Å; Y230-L247 HydrophobicContact CE2-CD1 3.25Å; Y230-L247 HydrophobicContact CG-CD1 4.24Å |
| 231 | T | 84 | Confident | 75.2 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 109.6 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | R221 C223 L233 K242 C243 | R221-T231 WeakPolarHBondContact CG-O 3.43Å; R221-T231 PolarHBondContact N-O 2.64Å; R221-T231 PolarHBondContact O-N 2.83Å; C223-T231 WeakPolarHBondContact CA-OG1 3.38Å; C223-T231 WeakPolarHBondContact CB-OG1 3.41Å; C223-T231 PolarHBondContact SG-OG1 2.9Å; T231-L233 HydrophobicContact CG2-CD2 3.78Å; T231-L233 HydrophobicContact CG2-CG 4.4Å; T231-K242 HydrophobicContact CG2-CB 4.37Å; T231-C243 CarbonylContact C-O 3.58Å; T231-C243 WeakPolarHBondContact CA-O 3.32Å |
| 232 | L | 86.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 125.5 | 167.9 | 176.9 | 64.3 | 0 | 0 | 0 | 108.3 | Y218 L220 L234 C243 L245 V356 I360 | Y218-L232 HydrophobicContact CD2-CD1 3.92Å; Y218-L232 HydrophobicContact CG-CD1 4.48Å; L220-L232 HydrophobicContact CD1-CB 3.97Å; L220-L232 HydrophobicContact CD1-CD1 4.47Å; L232-L234 HydrophobicContact CD2-CD1 3.89Å; L232-L234 HydrophobicContact CD2-CG 4.34Å; L232-L234 HydrophobicContact CG-CD1 3.98Å; L232-L234 HydrophobicContact CG-CG 4.11Å; L232-C243 HydrophobicContact CB-CB 4.17Å; L232-C243 PolarHBondContact N-O 3.34Å; L232-C243 PolarHBondContact O-N 3.35Å; L232-L245 HydrophobicContact CB-CD1 3.91Å; L232-L245 HydrophobicContact CB-CG 4.22Å; L232-L245 HydrophobicContact CD2-CD1 4.41Å; L232-V356 HydrophobicContact CD1-CG1 4.39Å; L232-I360 HydrophobicContact CD1-CD1 4.34Å; L232-I360 HydrophobicContact CD2-CD1 4.43Å; L232-I360 HydrophobicContact CD2-CG1 3.94Å |
| 233 | L | 86.9 | Confident | 76 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.1 | 174.5 | -60.2 | -178.8 | 0 | 0 | 0 | 108.8 | P206 L210 Y218 L219 T231 V240 K242 | P206-L233 HydrophobicContact CB-CD1 3.86Å; P206-L233 HydrophobicContact CG-CD1 4.14Å; L210-L233 HydrophobicContact CD1-CB 3.55Å; L210-L233 HydrophobicContact CD1-CD1 4.23Å; Y218-L233 CarbonylContact C-O 3.46Å; Y218-L233 WeakPolarHBondContact CA-O 3.48Å; Y218-L233 WeakPolarHBondContact CB-O 3.34Å; L219-L233 HydrophobicContact CD1-CD1 4.01Å; L219-L233 HydrophobicContact CD1-CG 4.44Å; L219-L233 HydrophobicContact CG-CB 4.34Å; L219-L233 HydrophobicContact CG-CD1 4.28Å; L219-L233 PolarHBondContact N-O 2.93Å; L219-L233 PolarHBondContact O-N 3.14Å; T231-L233 HydrophobicContact CG2-CD2 3.78Å; T231-L233 HydrophobicContact CG2-CG 4.4Å; L233-V240 HydrophobicContact CB-CG1 4.35Å; L233-K242 HydrophobicContact CD2-CB 4.27Å; L233-K242 HydrophobicContact CD2-CD 4.22Å; L233-K242 HydrophobicContact CD2-CG 3.65Å |
| 234 | L | 88.7 | Confident | 76.4 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130 | -178.2 | -68.4 | 137.1 | 0 | 0 | 0 | 108.9 | L232 V240 R241 C243 I363 F418 | L232-L234 HydrophobicContact CD2-CD1 3.89Å; L232-L234 HydrophobicContact CD2-CG 4.34Å; L232-L234 HydrophobicContact CG-CD1 3.98Å; L232-L234 HydrophobicContact CG-CG 4.11Å; L234-V240 CarbonylContact O-C 3.58Å; L234-V240 WeakPolarHBondContact O-CA 2.93Å; L234-R241 HydrophobicContact CB-CB 4.48Å; L234-R241 PolarHBondContact N-O 3.28Å; L234-R241 VanDerWaalsContact N-O 3.09Å; L234-R241 PolarHBondContact O-N 2.82Å; L234-C243 HydrophobicContact CD1-CB 4.43Å; L234-I363 HydrophobicContact CD1-CD1 3.8Å; L234-F418 HydrophobicContact CB-CD1 4.43Å; L234-F418 HydrophobicContact CB-CE1 3.95Å; L234-F418 HydrophobicContact CD2-CB 4.45Å; L234-F418 HydrophobicContact CD2-CD1 3.59Å; L234-F418 HydrophobicContact CD2-CD2 4.35Å; L234-F418 HydrophobicContact CD2-CE1 3.8Å; L234-F418 HydrophobicContact CD2-CG 3.89Å; L234-F418 HydrophobicContact CD2-CZ 4.27Å |
| 235 | Y | 87.5 | Confident | 76.9 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 105.7 | 176.2 | 177.5 | -146 | 0 | 0 | 0 | 110.5 | L210 K211 G214 F216 S217 G237 V240 | L210-Y235 WeakPolarHBondContact O-CD1 3.21Å; K211-Y235 HydrophobicContact CB-CE1 4.44Å; K211-Y235 HydrophobicContact CG-CE1 4.2Å; K211-Y235 HydrophobicContact CG-CE2 4.46Å; G214-Y235 WeakPolarHBondContact O-CD1 3.36Å; F216-Y235 VanDerWaalsContact CA-O 3.32Å; F216-Y235 WeakPolarHBondContact CA-O 3.32Å; F216-Y235 PolarHBondContact N-O 3.13Å; S217-Y235 PolarHBondContact O-N 3.14Å; Y235-G237 VanDerWaalsContact CE2-CA 3.46Å; Y235-G237 VanDerWaalsContact CE2-O 3.23Å; Y235-G237 WeakPolarHBondContact CE2-O 3.45Å; Y235-G237 VanDerWaalsContact CZ-O 3.26Å; Y235-G237 PolarHBondContact O-N 3.33Å; Y235-G237 VanDerWaalsContact O-N 3.12Å; Y235-G237 PolarHBondContact OH-O 3.03Å; Y235-V240 HydrophobicContact CD2-CG2 4.02Å; Y235-V240 HydrophobicContact CG-CG2 4.28Å |
| 236 | D | 80.2 | Confident | 77 | Confident | 18 Ų | 18 | 56 Ų | 56 | 10% | 0.096 | 29% | 0.287 | C | S | . | . | trans | -78.4 | 14.6 | -178 | 66.2 | 24.2 | 0 | 0 | 0 | 114 | V238 R239 R241 L370 | D236-V238 PolarHBondContact O-N 2.77Å; D236-V238 PolarHBondContact OD1-N 3.32Å; D236-R239 PolarHBondContact N-O 2.89Å; D236-R239 PolarHBondContact OD1-N 3.32Å; D236-R241 IonicContact OD2-CZ 2.75Å; D236-R241 IonicContact OD2-NE 3.3Å; D236-R241 PolarHBondContact OD2-NE 2.86Å; D236-R241 IonicContact OD2-NH2 2.7Å; D236-R241 PolarHBondContact OD2-NH2 2.96Å; D236-L370 HydrophobicContact CB-CD2 4.25Å | ||
| 237 | G | 77.7 | Confident | 77.5 | Confident | 24 Ų | 24 | 52 Ų | 52 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 84.9 | -27.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y235 | Y235-G237 VanDerWaalsContact CE2-CA 3.46Å; Y235-G237 VanDerWaalsContact CE2-O 3.23Å; Y235-G237 WeakPolarHBondContact CE2-O 3.45Å; Y235-G237 VanDerWaalsContact CZ-O 3.26Å; Y235-G237 PolarHBondContact O-N 3.33Å; Y235-G237 VanDerWaalsContact O-N 3.12Å; Y235-G237 PolarHBondContact OH-O 3.03Å |
| 238 | V | 80.6 | Confident | 78 | Confident | 123 Ų | 123 | 48.1 Ų | 48.1 | 75% | 0.745 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -105.9 | -45.3 | 176.9 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | D236 | D236-V238 PolarHBondContact O-N 2.77Å; D236-V238 PolarHBondContact OD1-N 3.32Å |
| 239 | R | 82.8 | Confident | 78.1 | Confident | 144 Ų | 144 | 47.5 Ų | 47.5 | 54% | 0.543 | 23% | 0.23 | S | C | . | . | trans | -134 | 148 | -170.6 | -64.8 | -179.6 | -72.5 | -168.1 | -3.7 | 111.2 | D236 | D236-R239 PolarHBondContact N-O 2.89Å; D236-R239 PolarHBondContact OD1-N 3.32Å | ||
| 240 | V | 84.9 | Confident | 77.2 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 102.8 | 170.4 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | K207 L210 L233 L234 Y235 | K207-V240 HydrophobicContact CB-CG2 4.45Å; K207-V240 HydrophobicContact CG-CB 4.44Å; K207-V240 HydrophobicContact CG-CG1 4.4Å; K207-V240 HydrophobicContact CG-CG2 4.5Å; L210-V240 HydrophobicContact CD1-CG1 3.76Å; L233-V240 HydrophobicContact CB-CG1 4.35Å; L234-V240 CarbonylContact O-C 3.58Å; L234-V240 WeakPolarHBondContact O-CA 2.93Å; Y235-V240 HydrophobicContact CD2-CG2 4.02Å; Y235-V240 HydrophobicContact CG-CG2 4.28Å |
| 241 | R | 80.3 | Confident | 75.6 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 148.6 | 173.9 | -61.4 | -175.2 | -179.9 | -129.5 | -6.3 | 110 | L234 D236 L370 | L234-R241 HydrophobicContact CB-CB 4.48Å; L234-R241 PolarHBondContact N-O 3.28Å; L234-R241 VanDerWaalsContact N-O 3.09Å; L234-R241 PolarHBondContact O-N 2.82Å; D236-R241 IonicContact OD2-CZ 2.75Å; D236-R241 IonicContact OD2-NE 3.3Å; D236-R241 PolarHBondContact OD2-NE 2.86Å; D236-R241 IonicContact OD2-NH2 2.7Å; D236-R241 PolarHBondContact OD2-NH2 2.96Å; R241-L370 PolarHBondContact NH2-O 2.85Å |
| 242 | K | 84.9 | Confident | 73.8 | Confident | 125 Ų | 125 | 54.3 Ų | 54.3 | 54% | 0.543 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.7 | 174.5 | -61.3 | -162.1 | 176.3 | -174.5 | 0 | 109.7 | T231 L233 | T231-K242 HydrophobicContact CG2-CB 4.37Å; L233-K242 HydrophobicContact CD2-CB 4.27Å; L233-K242 HydrophobicContact CD2-CD 4.22Å; L233-K242 HydrophobicContact CD2-CG 3.65Å |
| 243 | C | 83.5 | Confident | 71.7 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.5 | 172.9 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | T231 L232 L234 Y348 | T231-C243 CarbonylContact C-O 3.58Å; T231-C243 WeakPolarHBondContact CA-O 3.32Å; L232-C243 HydrophobicContact CB-CB 4.17Å; L232-C243 PolarHBondContact N-O 3.34Å; L232-C243 PolarHBondContact O-N 3.35Å; L234-C243 HydrophobicContact CD1-CB 4.43Å; C243-Y348 HydrophobicContact CB-CD2 4.32Å; C243-Y348 HydrophobicContact CB-CE2 3.64Å; C243-Y348 PolarHBondContact SG-OH 2.89Å; C243-Y348 VanDerWaalsContact SG-OH 3.39Å |
| 244 | R | 80.4 | Confident | 69.9 | Low | 104 Ų | 104 | 61.8 Ų | 61.8 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.1 | 173.8 | -59.3 | -175 | 75.6 | 122.1 | 12 | 108.8 | C223 S225 | C223-R244 PolarHBondContact SG-NH2 3.1Å; C223-R244 VanDerWaalsContact SG-NH2 3.35Å; S225-R244 PolarHBondContact OG-NH1 3.38Å; S225-R244 VanDerWaalsContact OG-NH1 3.14Å; S225-R244 PolarHBondContact OG-NH2 3.24Å |
| 245 | L | 79.2 | Confident | 67.7 | Low | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.3 | 175.9 | -56.5 | -177.4 | 0 | 0 | 0 | 109.8 | L220 Y230 L232 I346 Y348 V356 V359 | L220-L245 HydrophobicContact CD1-CD1 3.94Å; Y230-L245 PolarHBondContact N-O 3.07Å; Y230-L245 PolarHBondContact O-N 3.05Å; L232-L245 HydrophobicContact CB-CD1 3.91Å; L232-L245 HydrophobicContact CB-CG 4.22Å; L232-L245 HydrophobicContact CD2-CD1 4.41Å; L245-I346 HydrophobicContact CB-CG2 3.91Å; L245-I346 HydrophobicContact CD1-CG2 4.22Å; L245-I346 HydrophobicContact CD2-CG2 4Å; L245-I346 HydrophobicContact CG-CG2 4.26Å; L245-Y348 HydrophobicContact CD2-CD2 3.87Å; L245-Y348 HydrophobicContact CD2-CG 4.14Å; L245-V356 HydrophobicContact CD1-CG1 4.32Å; L245-V359 HydrophobicContact CD2-CG1 4.03Å; L245-V359 HydrophobicContact CD2-CG2 4.43Å |
| 246 | E | 71.2 | Confident | 65.5 | Low | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137 | 178.1 | 176.3 | 168.7 | 178 | 0 | 0 | 108.7 | L229 I346 L347 | L229-E246 HydrophobicContact CD2-CB 3.64Å; L229-E246 HydrophobicContact CD2-CG 3.67Å; E246-I346 CarbonylContact O-C 3.5Å; E246-I346 WeakPolarHBondContact O-CA 3.03Å; E246-L347 HydrophobicContact CB-CB 4.23Å; E246-L347 PolarHBondContact N-O 3Å; E246-L347 PolarHBondContact O-N 2.89Å |
| 247 | L | 64.8 | Low | 63.5 | Low | 51 Ų | 51 | 81.8 Ų | 81.8 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.4 | 178.2 | -64.2 | 84.4 | 0 | 0 | 0 | 109 | I192 Y230 T344 | I192-L247 HydrophobicContact CD1-CD1 4.02Å; I192-L247 HydrophobicContact CD1-CD2 3.62Å; I192-L247 HydrophobicContact CD1-CG 3.84Å; I192-L247 HydrophobicContact CG1-CD2 4.02Å; Y230-L247 HydrophobicContact CD2-CD1 3.31Å; Y230-L247 HydrophobicContact CE2-CD1 3.25Å; Y230-L247 HydrophobicContact CG-CD1 4.24Å; L247-T344 HydrophobicContact CB-CG2 3.97Å; L247-T344 HydrophobicContact CD2-CG2 3.67Å; L247-T344 HydrophobicContact CG-CG2 4.28Å |
| 248 | I | 58 | Low | 61.5 | Low | 52 Ų | 52 | 87.8 Ų | 87.8 | 27% | 0.267 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114 | 170.5 | -55.5 | -177 | 0 | 0 | 0 | 107.7 | Q250 K345 L347 T352 | I248-Q250 HydrophobicContact CG2-CG 3.73Å; I248-Q250 PolarHBondContact O-N 3.26Å; I248-K345 PolarHBondContact N-O 2.77Å; I248-K345 PolarHBondContact O-N 2.76Å; I248-L347 HydrophobicContact CD1-CB 3.87Å; I248-L347 HydrophobicContact CD1-CD1 4.14Å; I248-L347 HydrophobicContact CD1-CD2 4.27Å; I248-L347 HydrophobicContact CD1-CG 4.32Å; I248-L347 HydrophobicContact CG1-CB 4.15Å; I248-T352 HydrophobicContact CD1-CG2 4.02Å |
| 249 | V | 53.5 | Low | 59.4 | Low | 53 Ų | 53 | 86.6 Ų | 86.6 | 32% | 0.321 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 107.9 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | H127 T342 T344 | H127-V249 HydrophobicContact CB-CG2 4.01Å; V249-T342 HydrophobicContact CG1-CG2 3.29Å; V249-T344 HydrophobicContact CG2-CG2 4.36Å |
| 250 | Q | 48.9 | Very low | 57 | Low | 67 Ų | 67 | 85.6 Ų | 85.6 | 31% | 0.313 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 147.2 | 175.6 | -63.2 | -165.9 | -25.6 | 0 | 0 | 109.9 | I248 T342 T343 | I248-Q250 HydrophobicContact CG2-CG 3.73Å; I248-Q250 PolarHBondContact O-N 3.26Å; Q250-T342 CarbonylContact O-C 3.58Å; Q250-T342 WeakPolarHBondContact O-CA 3.05Å; Q250-T343 PolarHBondContact N-O 2.88Å; Q250-T343 PolarHBondContact O-N 3.16Å |
| 251 | S | 42.3 | Very low | 54.5 | Low | 48 Ų | 48 | 89.7 Ų | 89.7 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.2 | 177.4 | -63.9 | 0 | 0 | 0 | 0 | 109.1 | S121 | S121-S251 WeakPolarHBondContact CB-OG 3.1Å |
| 252 | E | 45.8 | Very low | 52.1 | Low | 82 Ų | 82 | 92.5 Ų | 92.5 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.1 | -177.2 | -69.9 | 168.1 | 177.1 | 0 | 0 | 109.1 | I254 Y340 R341 K345 | E252-I254 PolarHBondContact O-N 3.19Å; E252-Y340 CarbonylContact O-C 3.58Å; E252-Y340 WeakPolarHBondContact O-CA 3.37Å; E252-R341 PolarHBondContact N-O 3.3Å; E252-R341 PolarHBondContact O-N 2.77Å; E252-K345 IonicContact OE1-NZ 2.66Å; E252-K345 PolarHBondContact OE1-NZ 3.47Å |
| 253 | L | 42.8 | Very low | 49.4 | Very low | 95 Ų | 95 | 95.1 Ų | 95.1 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 126.3 | 174.2 | -175.9 | 81 | 0 | 0 | 0 | 108.6 | L255 P338 Y340 | L253-L255 PolarHBondContact O-N 3.17Å; L253-P338 HydrophobicContact CD1-CB 4.27Å; L253-Y340 HydrophobicContact CB-CD1 4.39Å; L253-Y340 HydrophobicContact CB-CE1 4.24Å; L253-Y340 HydrophobicContact CD1-CD1 4.09Å; L253-Y340 HydrophobicContact CD1-CE1 3.5Å; L253-Y340 HydrophobicContact CD1-CE2 4.39Å |
| 254 | I | 50.6 | Low | 46.7 | Very low | 65 Ų | 65 | 103.9 Ų | 103.9 | 33% | 0.333 | 54% | 0.542 | S | S | . | . | trans | -73.2 | 103.8 | 170.2 | -61.2 | 174.2 | 0 | 0 | 0 | 107.5 | E252 V259 L339 R341 | E252-I254 PolarHBondContact O-N 3.19Å; I254-V259 HydrophobicContact CG2-CG2 4.09Å; I254-L339 WeakPolarHBondContact CB-O 3.16Å; I254-L339 HydrophobicContact CD1-CB 3.92Å; I254-L339 WeakPolarHBondContact CG1-O 3.49Å; I254-L339 PolarHBondContact N-O 2.8Å; I254-L339 VanDerWaalsContact N-O 3.09Å; I254-R341 HydrophobicContact CD1-CB 4.06Å; I254-R341 HydrophobicContact CG1-CB 3.86Å | ||
| 255 | L | 41 | Very low | 44.3 | Very low | 131 Ų | 131 | 105.3 Ų | 105.3 | 69% | 0.686 | 56% | 0.562 | S | S | * | * | trans | -61.9 | 143.5 | 167.8 | -77 | 165.3 | 0 | 0 | 0 | 109.4 | L253 D257 | L253-L255 PolarHBondContact O-N 3.17Å; L255-D257 PolarHBondContact O-N 3.31Å | ||
| 256 | Q | 41.1 | Very low | 41.7 | Very low | 182 Ų | 182 | 111.9 Ų | 111.9 | 85% | 0.85 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 7.5 | -155.5 | -152.9 | 166.9 | 14.8 | 0 | 0 | 115.1 | ||
| 257 | D | 38.4 | Very low | 39.8 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -13.8 | -172.9 | -61.1 | -55.5 | 0 | 0 | 0 | 114.3 | L255 | L255-D257 PolarHBondContact O-N 3.31Š|
| 258 | D | 36 | Very low | 38.1 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 80% | 0.797 | 64% | 0.641 | S | S | * | * | trans | -102.5 | 5.9 | -169.7 | -106.8 | -21.8 | 0 | 0 | 0 | 115.5 | T260 | D258-T260 PolarHBondContact O-N 3.04Š| ||
| 259 | V | 37.8 | Very low | 36.6 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 60% | 0.6 | 66% | 0.66 | S | S | * | * | trans | -94.5 | 84.7 | -178.7 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | I254 | I254-V259 HydrophobicContact CG2-CG2 4.09Š| ||
| 260 | T | 31.1 | Very low | 35.4 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -73.6 | 126.8 | 163 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | D258 T262 | D258-T260 PolarHBondContact O-N 3.04Å; T260-T262 PolarHBondContact O-N 3.26Å | ||
| 261 | P | 32.1 | Very low | 34.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | trans | -79.8 | 114.7 | -177.8 | 30.7 | -33.4 | 0 | 0 | 0 | 111.6 | E263 | P261-E263 PolarHBondContact O-N 3.39Š| ||
| 262 | T | 30.1 | Very low | 33.5 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | trans | -72.7 | 121 | 169.8 | -26.8 | 0 | 0 | 0 | 0 | 109.8 | T260 | T260-T262 PolarHBondContact O-N 3.26Š| ||
| 263 | E | 29.8 | Very low | 32.9 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -66 | 137.4 | -178.4 | -62.7 | -175 | 132.2 | 0 | 0 | 112 | P261 | P261-E263 PolarHBondContact O-N 3.39Š| ||
| 264 | K | 25.2 | Very low | 32.2 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -97.7 | 109.3 | 164.7 | -74.9 | -173.9 | 176.5 | -177 | 0 | 109.2 | ||||
| 265 | T | 30.3 | Very low | 31.1 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -89 | 123.5 | 163 | 41.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 266 | N | 25.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -84.6 | 148.9 | 171.2 | -61.5 | -29.1 | 0 | 0 | 0 | 109.6 | ||||
| 267 | H | 31 | Very low | 29.7 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | trans | -157.7 | 150.8 | 138.4 | -112.8 | -58.5 | 0 | 0 | 0 | 111.7 | ||||
| 268 | D | 28.9 | Very low | 29.1 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -91.6 | 155.1 | -162.1 | -50.7 | -89.8 | 0 | 0 | 0 | 115.5 | ||||
| 269 | S | 25.3 | Very low | 28.6 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | 23.2 | 129.2 | 148.4 | 63.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 270 | N | 28.7 | Very low | 28 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | -165.4 | 127.1 | 104.5 | -100.9 | -43.9 | 0 | 0 | 0 | 115.7 | |||||
| 271 | F | 26 | Very low | 27.8 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 77% | 0.768 | 77% | 0.768 | S | S | * | * | trans | 36.1 | 130.3 | 139.9 | -88.8 | -97.9 | 0 | 0 | 0 | 124.5 | ||||
| 272 | D | 25.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | 43.6 | 121.6 | 139.3 | -68.5 | 0.7 | 0 | 0 | 0 | 122.1 | ||||
| 273 | H | 32.7 | Very low | 27.5 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | -160.3 | 175.9 | 87.9 | -110.5 | -81 | 0 | 0 | 0 | 113.1 | |||||
| 274 | R | 28 | Very low | 27.3 | Very low | 215 Ų | 215 | 146.4 Ų | 146.4 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -110.3 | 149.2 | -164 | -81.9 | -175.8 | 177.2 | 176.6 | -2.1 | 115.1 | ||||
| 275 | N | 27.6 | Very low | 27.3 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 72.6 | 121.4 | 138.5 | -72.1 | 22.3 | 0 | 0 | 0 | 122.5 | ||||
| 276 | S | 26.1 | Very low | 27.2 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | 105.4 | 142.5 | 119.4 | -75.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 277 | E | 27.5 | Very low | 27.2 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | 72.3 | 87.5 | 150.3 | -72.4 | 171.7 | 167.1 | 0 | 0 | 121 | ||||
| 278 | L | 26.1 | Very low | 27 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | 56.2 | 126.4 | 112 | -72.5 | 173.9 | 0 | 0 | 0 | 121.9 | |||||
| 279 | L | 24.4 | Very low | 26.9 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 71% | 0.707 | 72% | 0.721 | S | S | * | * | trans | 90.3 | 130.2 | 138.7 | -70 | 165.3 | 0 | 0 | 0 | 121.1 | ||||
| 280 | D | 25.7 | Very low | 27.1 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | trans | 75.3 | 110.7 | 141.5 | -59.7 | -17.8 | 0 | 0 | 0 | 122.8 | ||||
| 281 | E | 26.3 | Very low | 27.1 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | 107.9 | 135.6 | 119.6 | -87.6 | -174.4 | 175.8 | 0 | 0 | 121.7 | |||||
| 282 | H | 29.1 | Very low | 27.2 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | trans | 76.5 | 84.8 | 144.4 | -83.7 | -61.7 | 0 | 0 | 0 | 123.3 | ||||
| 283 | T | 26.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | 79.1 | 142.3 | 115.1 | 38.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 284 | N | 26.8 | Very low | 27 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | trans | 85.6 | 103.8 | 144 | -75 | 35.6 | 0 | 0 | 0 | 122.9 | ||||
| 285 | E | 24.7 | Very low | 26.8 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 64% | 0.64 | 72% | 0.718 | S | S | * | * | 78.7 | 149.8 | 113.8 | -69.6 | -178 | 138.9 | 0 | 0 | 122.9 | |||||
| 286 | F | 27.9 | Very low | 26.8 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | trans | 54.4 | 105.7 | 166.2 | -60 | -63.1 | 0 | 0 | 0 | 117.7 | ||||
| 287 | N | 25.9 | Very low | 26.8 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | 84.8 | 140.3 | 70 | -86.5 | 4.8 | 0 | 0 | 0 | 114.4 | |||||
| 288 | T | 27 | Very low | 26.9 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | trans | 65.8 | 144.2 | 155.4 | 45.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 289 | E | 27.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | cis | -159.2 | 159.5 | 0.5 | -138.9 | 159.3 | -141.3 | 0 | 0 | 113.4 | ||||
| 290 | S | 28.7 | Very low | 27.3 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | 69.2 | 151.7 | 156.6 | 78.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 291 | L | 30.3 | Very low | 27.6 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | cis | -143.6 | 137.4 | 27.6 | -95 | 170.1 | 0 | 0 | 0 | 113.8 | ||||
| 292 | S | 28.1 | Very low | 27.7 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | 49.1 | 143.7 | 137.8 | 66.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 293 | Y | 27.9 | Very low | 27.8 | Very low | 231 Ų | 231 | 133 Ų | 133 | 91% | 0.906 | 71% | 0.711 | S | S | * | * | cis | -158.9 | 173.4 | -10.2 | -131.8 | -84 | 0 | 0 | 0 | 109.4 | ||||
| 294 | S | 25.4 | Very low | 28 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | -92.5 | 152.1 | -163.6 | -40.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 295 | S | 24.6 | Very low | 28.3 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 76.4 | 134.7 | 131.9 | -106.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 296 | N | 26.9 | Very low | 28.6 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | 91.3 | 112.8 | 136.9 | -63.9 | 4.4 | 0 | 0 | 0 | 122.3 | ||||
| 297 | N | 26.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | 76.2 | 121.5 | 130.3 | -69.6 | 36.6 | 0 | 0 | 0 | 123.5 | ||||
| 298 | E | 28.4 | Very low | 28.7 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | trans | 80.8 | 132.5 | 133.9 | -68.4 | 171.2 | 159.4 | 0 | 0 | 122 | ||||
| 299 | D | 30.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 74.2 | 99 | 145.9 | -71.8 | 13 | 0 | 0 | 0 | 124.3 | ||||
| 300 | D | 29.9 | Very low | 28.9 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | 105.3 | 123.8 | 100.1 | -162.4 | 39.7 | 0 | 0 | 0 | 121.3 | |||||
| 301 | K | 31.1 | Very low | 29 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 62.8 | 157.9 | 160.4 | -77 | 158.9 | -164.9 | 108.4 | 0 | 119.8 | ||||
| 302 | S | 28.7 | Very low | 28.8 | Very low | 90 Ų | 90 | 149.5 Ų | 149.5 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | cis | -150.3 | 155.1 | -16.1 | 50.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 303 | D | 31.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | 179.5 | 174.1 | 73.8 | -95.9 | -56.6 | 0 | 0 | 0 | 108.6 | |||||
| 304 | E | 31.6 | Very low | 28.5 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | cis | -149.7 | 144.5 | 9.4 | -149.7 | -161.9 | 146.5 | 0 | 0 | 112.1 | ||||
| 305 | S | 32 | Very low | 28.6 | Very low | 97 Ų | 97 | 150 Ų | 150 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 66.1 | 146 | 157.5 | 83.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 306 | R | 31.6 | Very low | 28.7 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | cis | -151.5 | 155.6 | -13.1 | -113.8 | 167.8 | -164.1 | -166 | 5.7 | 110.4 | ||||
| 307 | R | 30 | Very low | 28.9 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -77 | 152.8 | -175.8 | -58.7 | 168.9 | -178.4 | 154.8 | -0.9 | 111.6 | ||||
| 308 | K | 26.4 | Very low | 29 | Very low | 203 Ų | 203 | 155 Ų | 155 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | cis | 82.2 | 98 | 24.6 | -157 | -178.1 | -167.5 | 177.8 | 0 | 116.1 | ||||
| 309 | S | 30.7 | Very low | 29 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -170.4 | 147.3 | 158.4 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 310 | N | 26.3 | Very low | 29 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -112.5 | 152.4 | -173.7 | -53.8 | -24.2 | 0 | 0 | 0 | 113 | ||||
| 311 | K | 30.3 | Very low | 29.1 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | 168.6 | 124.5 | 123.2 | -95.3 | -176.2 | 176.2 | -177.9 | 0 | 116.1 | |||||
| 312 | I | 26.1 | Very low | 29.1 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | 56.7 | 132.8 | 124.9 | -56.6 | 172.2 | 0 | 0 | 0 | 121.7 | |||||
| 313 | L | 26.2 | Very low | 29.2 | Very low | 156 Ų | 156 | 158.9 Ų | 158.9 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | 108.2 | 154.6 | 153.8 | -126.3 | 67.1 | 0 | 0 | 0 | 119.9 | ||||
| 314 | L | 24 | Very low | 28.9 | Very low | 140 Ų | 140 | 156.7 Ų | 156.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -93.5 | 156.3 | -161.8 | -60.2 | 69.8 | 0 | 0 | 0 | 113.1 | ||||
| 315 | T | 28.2 | Very low | 28.6 | Very low | 140 Ų | 140 | 155.8 Ų | 155.8 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | -179.7 | 158.4 | 104.7 | 28.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 316 | N | 25.9 | Very low | 28.4 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -75.9 | 149.8 | -172.7 | -52.8 | -42 | 0 | 0 | 0 | 114.8 | ||||
| 317 | K | 31.5 | Very low | 27.9 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | 171.9 | 139.2 | 101.1 | -95.2 | -173.6 | 176.4 | 179.3 | 0 | 115.3 | |||||
| 318 | N | 28.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 152 Ų | 152 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | trans | 45.3 | 136.2 | 132.8 | -56.4 | 21.8 | 0 | 0 | 0 | 119.6 | ||||
| 319 | L | 29.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 64% | 0.644 | 77% | 0.772 | S | S | * | * | cis | 179.2 | 161 | 31.3 | -149.3 | 61.7 | 0 | 0 | 0 | 110 | ||||
| 320 | E | 30.3 | Very low | 27.5 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 58.3 | 140.2 | 148.3 | -84.4 | 156.3 | -143.3 | 0 | 0 | 121.8 | ||||
| 321 | D | 31.5 | Very low | 27.4 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | cis | -162.2 | 169 | -7.7 | -152.3 | -1.6 | 0 | 0 | 0 | 114.5 | ||||
| 322 | N | 30.2 | Very low | 27.2 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | trans | 65.3 | 99 | 149.2 | -86 | -53.9 | 0 | 0 | 0 | 122.4 | ||||
| 323 | R | 31.5 | Very low | 27.3 | Very low | 228 Ų | 228 | 150.8 Ų | 150.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | 174.9 | 111 | 95.3 | -98 | -179.3 | -180 | -177.7 | 0.7 | 116.3 | |||||
| 324 | S | 24 | Very low | 27.4 | Very low | 98 Ų | 98 | 150.8 Ų | 150.8 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 42.5 | 143.9 | 133.9 | 62.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 325 | T | 25.6 | Very low | 27.7 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | 75.5 | 77.6 | 156.6 | 51.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 326 | S | 27.9 | Very low | 28 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | -174.3 | 121.8 | 113.5 | 46.7 | 0 | 0 | 0 | 0 | 111.2 | F328 | S326-F328 PolarHBondContact O-N 2.85Š| |||
| 327 | E | 22.5 | Very low | 28.3 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -87 | 87.5 | -179.7 | -69.5 | -173.6 | 128.2 | 0 | 0 | 111.8 | ||||
| 328 | F | 24.6 | Very low | 28.6 | Very low | 195 Ų | 195 | 144 Ų | 144 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | trans | -116.4 | 92.9 | 153.9 | -88.2 | -86.2 | 0 | 0 | 0 | 108.5 | S326 N330 | S326-F328 PolarHBondContact O-N 2.85Å; F328-N330 PolarHBondContact O-N 3.49Å | ||
| 329 | I | 27.4 | Very low | 29.1 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | trans | -68.9 | 99.2 | 174.5 | -58.9 | -178.5 | 0 | 0 | 0 | 107.8 | F331 | I329-F331 VanDerWaalsContact C-N 3.31Å; I329-F331 HydrophobicContact CG2-CD2 3.66Å; I329-F331 HydrophobicContact CG2-CE2 3.9Å; I329-F331 PolarHBondContact O-N 2.93Å | ||
| 330 | N | 25 | Very low | 29.6 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | -75.5 | 79.7 | -172 | -165.7 | -6 | 0 | 0 | 0 | 110.8 | F328 N332 | F328-N330 PolarHBondContact O-N 3.49Å; N330-N332 PolarHBondContact O-N 2.8Å; N330-N332 PolarHBondContact OD1-ND2 2.86Å | ||
| 331 | F | 25.4 | Very low | 30.1 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 79% | 0.789 | 70% | 0.696 | S | S | * | * | trans | -73.9 | 29.6 | -177.4 | -112.4 | -71.9 | 0 | 0 | 0 | 114.4 | I329 R333 | I329-F331 VanDerWaalsContact C-N 3.31Å; I329-F331 HydrophobicContact CG2-CD2 3.66Å; I329-F331 HydrophobicContact CG2-CE2 3.9Å; I329-F331 PolarHBondContact O-N 2.93Å; F331-R333 PolarHBondContact O-N 2.85Å | ||
| 332 | N | 26.2 | Very low | 30.6 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | trans | -73.2 | 74.7 | 168.7 | -89.4 | -37.6 | 0 | 0 | 0 | 111 | N330 | N330-N332 PolarHBondContact O-N 2.8Å; N330-N332 PolarHBondContact OD1-ND2 2.86Å | ||
| 333 | R | 27.8 | Very low | 31.6 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | trans | -96.6 | 126.2 | 152.9 | -89.7 | -168.9 | 171.2 | -167 | -1.7 | 108.6 | F331 F335 | F331-R333 PolarHBondContact O-N 2.85Å; R333-F335 HydrophobicContact CB-CD2 4.15Å; R333-F335 HydrophobicContact CB-CE2 3.9Å; R333-F335 WeakPolarHBondContact O-CD2 3.43Å; R333-F335 PolarHBondContact O-N 2.94Å | ||
| 334 | N | 28 | Very low | 32.7 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 83% | 0.834 | 62% | 0.618 | S | S | * | * | trans | -63.4 | 93.7 | 177.7 | -63.4 | -9 | 0 | 0 | 0 | 110.7 | Q336 | N334-Q336 PolarHBondContact O-N 2.89Š| ||
| 335 | F | 31.6 | Very low | 34.7 | Very low | 177 Ų | 177 | 120.1 Ų | 120.1 | 78% | 0.776 | 60% | 0.595 | S | S | * | * | trans | -96.5 | 77.3 | 165.3 | -76.7 | -77.2 | 0 | 0 | 0 | 108.9 | R333 S337 | R333-F335 HydrophobicContact CB-CD2 4.15Å; R333-F335 HydrophobicContact CB-CE2 3.9Å; R333-F335 WeakPolarHBondContact O-CD2 3.43Å; R333-F335 PolarHBondContact O-N 2.94Å; F335-S337 PolarHBondContact O-N 2.94Å | ||
| 336 | Q | 33.4 | Very low | 37 | Very low | 172 Ų | 172 | 113.9 Ų | 113.9 | 80% | 0.804 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 119.6 | 172.4 | -161.1 | 164.5 | 3.8 | 0 | 0 | 107.8 | N334 | N334-Q336 PolarHBondContact O-N 2.89Š|
| 337 | S | 32.8 | Very low | 39.1 | Very low | 61 Ų | 61 | 110.5 Ų | 110.5 | 43% | 0.427 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 149.4 | -172.6 | 35 | 0 | 0 | 0 | 0 | 112.3 | F335 L339 | F335-S337 PolarHBondContact O-N 2.94Å; S337-L339 PolarHBondContact O-N 3.15Å; S337-L339 VanDerWaalsContact O-N 3.11Å |
| 338 | P | 37 | Very low | 41.9 | Very low | 61 Ų | 61 | 104.4 Ų | 104.4 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 116.5 | 177.1 | 25.4 | -33.5 | 0 | 0 | 0 | 109.9 | L253 Y340 | L253-P338 HydrophobicContact CD1-CB 4.27Å; P338-Y340 HydrophobicContact CB-CE2 3.95Å; P338-Y340 HydrophobicContact CG-CE2 3.97Å; P338-Y340 VanDerWaalsContact O-CD2 3.31Å; P338-Y340 WeakPolarHBondContact O-CD2 3.32Å |
| 339 | L | 39.5 | Very low | 44.5 | Very low | 104 Ų | 104 | 100.4 Ų | 100.4 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 125.8 | 175.2 | -68.4 | 165.1 | 0 | 0 | 0 | 109 | I254 S337 | I254-L339 WeakPolarHBondContact CB-O 3.16Å; I254-L339 HydrophobicContact CD1-CB 3.92Å; I254-L339 WeakPolarHBondContact CG1-O 3.49Å; I254-L339 PolarHBondContact N-O 2.8Å; I254-L339 VanDerWaalsContact N-O 3.09Å; S337-L339 PolarHBondContact O-N 3.15Å; S337-L339 VanDerWaalsContact O-N 3.11Å |
| 340 | Y | 39.5 | Very low | 46.7 | Very low | 81 Ų | 81 | 97.1 Ų | 97.1 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.4 | 175 | -69 | -92.2 | 0 | 0 | 0 | 109.3 | T120 E252 L253 P338 T342 | T120-Y340 WeakPolarHBondContact O-CD1 3.41Å; T120-Y340 WeakPolarHBondContact O-CE1 3.13Å; E252-Y340 CarbonylContact O-C 3.58Å; E252-Y340 WeakPolarHBondContact O-CA 3.37Å; L253-Y340 HydrophobicContact CB-CD1 4.39Å; L253-Y340 HydrophobicContact CB-CE1 4.24Å; L253-Y340 HydrophobicContact CD1-CD1 4.09Å; L253-Y340 HydrophobicContact CD1-CE1 3.5Å; L253-Y340 HydrophobicContact CD1-CE2 4.39Å; P338-Y340 HydrophobicContact CB-CE2 3.95Å; P338-Y340 HydrophobicContact CG-CE2 3.97Å; P338-Y340 VanDerWaalsContact O-CD2 3.31Å; P338-Y340 WeakPolarHBondContact O-CD2 3.32Å; Y340-T342 PolarHBondContact O-N 2.81Å |
| 341 | R | 41.5 | Very low | 49.2 | Very low | 166 Ų | 166 | 94.6 Ų | 94.6 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 106.6 | 173.1 | -168.5 | -177 | -172.8 | -176.9 | 3.9 | 108.8 | E252 I254 T343 | E252-R341 PolarHBondContact N-O 3.3Å; E252-R341 PolarHBondContact O-N 2.77Å; I254-R341 HydrophobicContact CD1-CB 4.06Å; I254-R341 HydrophobicContact CG1-CB 3.86Å; R341-T343 HydrophobicContact CG-CG2 4Å; R341-T343 PolarHBondContact O-N 2.86Å |
| 342 | T | 40.9 | Very low | 51.6 | Low | 37 Ų | 37 | 89.6 Ų | 89.6 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.2 | 166.8 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | V249 Q250 Y340 | V249-T342 HydrophobicContact CG1-CG2 3.29Å; Q250-T342 CarbonylContact O-C 3.58Å; Q250-T342 WeakPolarHBondContact O-CA 3.05Å; Y340-T342 PolarHBondContact O-N 2.81Å |
| 343 | T | 51.4 | Low | 54.1 | Low | 26 Ų | 26 | 84.6 Ų | 84.6 | 16% | 0.16 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.4 | 174.5 | 61.6 | 0 | 0 | 0 | 0 | 109.7 | Q250 R341 K345 | Q250-T343 PolarHBondContact N-O 2.88Å; Q250-T343 PolarHBondContact O-N 3.16Å; R341-T343 HydrophobicContact CG-CG2 4Å; R341-T343 PolarHBondContact O-N 2.86Å; T343-K345 WeakPolarHBondContact OG1-CE 3.15Å |
| 344 | T | 55.8 | Low | 56.1 | Low | 28 Ų | 28 | 79.8 Ų | 79.8 | 17% | 0.172 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.4 | 177.5 | -47.8 | 0 | 0 | 0 | 0 | 108.9 | L247 V249 | L247-T344 HydrophobicContact CB-CG2 3.97Å; L247-T344 HydrophobicContact CD2-CG2 3.67Å; L247-T344 HydrophobicContact CG-CG2 4.28Å; V249-T344 HydrophobicContact CG2-CG2 4.36Å |
| 345 | K | 65.8 | Low | 58.3 | Low | 46 Ų | 46 | 75 Ų | 75 | 20% | 0.2 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 155.2 | 179 | -61 | 177.6 | -165.7 | 167.3 | 0 | 109.5 | I248 E252 T343 F353 | I248-K345 PolarHBondContact N-O 2.77Å; I248-K345 PolarHBondContact O-N 2.76Å; E252-K345 IonicContact OE1-NZ 2.66Å; E252-K345 PolarHBondContact OE1-NZ 3.47Å; T343-K345 WeakPolarHBondContact OG1-CE 3.15Å; K345-F353 CarbonylContact C-O 3.59Å; K345-F353 WeakPolarHBondContact CA-O 3.24Å; K345-F353 WeakPolarHBondContact CB-O 3.19Å |
| 346 | I | 72.4 | Confident | 60.4 | Low | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.4 | -178 | -54.2 | -172.2 | 0 | 0 | 0 | 109.4 | I192 L245 E246 T352 F353 V356 V359 | I192-I346 HydrophobicContact CD1-CD1 3.63Å; I192-I346 HydrophobicContact CD1-CG1 4.24Å; L245-I346 HydrophobicContact CB-CG2 3.91Å; L245-I346 HydrophobicContact CD1-CG2 4.22Å; L245-I346 HydrophobicContact CD2-CG2 4Å; L245-I346 HydrophobicContact CG-CG2 4.26Å; E246-I346 CarbonylContact O-C 3.5Å; E246-I346 WeakPolarHBondContact O-CA 3.03Å; I346-T352 CarbonylContact O-C 3.22Å; I346-T352 WeakPolarHBondContact O-CA 3.43Å; I346-F353 PolarHBondContact N-O 3Å; I346-F353 PolarHBondContact O-N 3.24Å; I346-V356 HydrophobicContact CD1-CB 4.24Å; I346-V356 HydrophobicContact CD1-CG2 3.42Å; I346-V356 VanDerWaalsContact CD1-CG2 3.42Å; I346-V359 HydrophobicContact CB-CG2 4.47Å; I346-V359 HydrophobicContact CG2-CG2 4.19Å |
| 347 | L | 73.8 | Confident | 62.7 | Low | 43 Ų | 43 | 61.5 Ų | 61.5 | 23% | 0.225 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.5 | 169.5 | -174 | 76 | 0 | 0 | 0 | 109.7 | E246 I248 T351 T352 | E246-L347 HydrophobicContact CB-CB 4.23Å; E246-L347 PolarHBondContact N-O 3Å; E246-L347 PolarHBondContact O-N 2.89Å; I248-L347 HydrophobicContact CD1-CB 3.87Å; I248-L347 HydrophobicContact CD1-CD1 4.14Å; I248-L347 HydrophobicContact CD1-CD2 4.27Å; I248-L347 HydrophobicContact CD1-CG 4.32Å; I248-L347 HydrophobicContact CG1-CB 4.15Å; L347-T351 WeakPolarHBondContact CA-O 3.35Å; L347-T352 HydrophobicContact CD1-CG2 3.77Å |
| 348 | Y | 80.7 | Confident | 65 | Low | 59 Ų | 59 | 59.8 Ų | 59.8 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 129.2 | 170.5 | 172.6 | -112.3 | 0 | 0 | 0 | 109.1 | C243 L245 G350 T351 F353 V359 I363 | C243-Y348 HydrophobicContact CB-CD2 4.32Å; C243-Y348 HydrophobicContact CB-CE2 3.64Å; C243-Y348 PolarHBondContact SG-OH 2.89Å; C243-Y348 VanDerWaalsContact SG-OH 3.39Å; L245-Y348 HydrophobicContact CD2-CD2 3.87Å; L245-Y348 HydrophobicContact CD2-CG 4.14Å; Y348-G350 PolarHBondContact O-N 2.8Å; Y348-T351 PolarHBondContact N-O 3.39Å; Y348-T351 PolarHBondContact O-N 2.85Å; Y348-T351 VanDerWaalsContact O-O 3.07Å; Y348-T351 PolarHBondContact O-OG1 2.89Å; Y348-F353 HydrophobicContact CD1-CE2 4.18Å; Y348-V359 HydrophobicContact CD1-CG1 3.6Å; Y348-V359 HydrophobicContact CD2-CG1 4.33Å; Y348-V359 HydrophobicContact CE1-CG1 4.17Å; Y348-V359 HydrophobicContact CG-CG1 3.68Å; Y348-I363 HydrophobicContact CE1-CD1 4.06Å; Y348-I363 HydrophobicContact CE1-CG1 3.98Å |
| 349 | S | 79.3 | Confident | 67.1 | Low | 110 Ų | 110 | 56.9 Ų | 56.9 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 28.4 | 179.4 | -160.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 350 | G | 73.4 | Confident | 69.2 | Low | 65 Ų | 65 | 52.2 Ų | 52.2 | 67% | 0.67 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y348 | Y348-G350 PolarHBondContact O-N 2.8Š|
| 351 | T | 76.8 | Confident | 71.4 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.7 | 174.6 | 43.2 | 0 | 0 | 0 | 0 | 111.6 | L347 Y348 F353 | L347-T351 WeakPolarHBondContact CA-O 3.35Å; Y348-T351 PolarHBondContact N-O 3.39Å; Y348-T351 PolarHBondContact O-N 2.85Å; Y348-T351 VanDerWaalsContact O-O 3.07Å; Y348-T351 PolarHBondContact O-OG1 2.89Å; T351-F353 WeakPolarHBondContact OG1-CE2 3.33Å; T351-F353 WeakPolarHBondContact OG1-CZ 3.39Å |
| 352 | T | 76.7 | Confident | 73.4 | Confident | 75 Ų | 75 | 45.1 Ų | 45.1 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.7 | -178.8 | 48.4 | 0 | 0 | 0 | 0 | 112 | I248 I346 L347 | I248-T352 HydrophobicContact CD1-CG2 4.02Å; I346-T352 CarbonylContact O-C 3.22Å; I346-T352 WeakPolarHBondContact O-CA 3.43Å; L347-T352 HydrophobicContact CD1-CG2 3.77Å |
| 353 | F | 77.8 | Confident | 75.3 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.6 | -174.6 | -63 | -89.4 | 0 | 0 | 0 | 110.9 | K345 I346 Y348 T351 A358 V359 A362 | K345-F353 CarbonylContact C-O 3.59Å; K345-F353 WeakPolarHBondContact CA-O 3.24Å; K345-F353 WeakPolarHBondContact CB-O 3.19Å; I346-F353 PolarHBondContact N-O 3Å; I346-F353 PolarHBondContact O-N 3.24Å; Y348-F353 HydrophobicContact CD1-CE2 4.18Å; T351-F353 WeakPolarHBondContact OG1-CE2 3.33Å; T351-F353 WeakPolarHBondContact OG1-CZ 3.39Å; F353-A358 HydrophobicContact CB-CB 4.34Å; F353-A358 HydrophobicContact CD1-CB 4.22Å; F353-V359 HydrophobicContact CB-CG2 3.72Å; F353-V359 HydrophobicContact CD1-CG2 4.37Å; F353-V359 HydrophobicContact CD2-CG2 3.69Å; F353-V359 HydrophobicContact CE2-CG2 4.41Å; F353-V359 HydrophobicContact CG-CG2 3.66Å; F353-A362 HydrophobicContact CE1-CB 3.62Å; F353-A362 HydrophobicContact CZ-CB 3.96Å |
| 354 | P | 69.4 | Low | 76.7 | Confident | 93 Ų | 93 | 44.6 Ų | 44.6 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -74 | -28.5 | -179.2 | 29 | -35.6 | 0 | 0 | 0 | 114 | A358 | P354-A358 HydrophobicContact CG-CB 3.91Š|
| 355 | N | 76 | Confident | 77.6 | Confident | 57 Ų | 57 | 47 Ų | 47 | 31% | 0.305 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -157.6 | 179.3 | -177.3 | 63 | 2.3 | 0 | 0 | 0 | 111.2 | E357 A358 | N355-E357 VanDerWaalsContact C-N 3.34Å; N355-E357 VanDerWaalsContact CB-OE2 3.28Å; N355-E357 WeakPolarHBondContact CB-OE2 3.24Å; N355-E357 PolarHBondContact ND2-OE2 2.78Å; N355-A358 WeakPolarHBondContact OD1-CB 3.38Å; N355-A358 PolarHBondContact OD1-N 3.29Å |
| 356 | V | 74.8 | Confident | 77.5 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.7 | -35.8 | -176.9 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | I192 L195 F197 L220 L232 L245 I346 A358 V359 I360 | I192-V356 HydrophobicContact CD1-CG2 4.17Å; I192-V356 HydrophobicContact CG1-CG2 4.45Å; L195-V356 HydrophobicContact CD1-CB 4.38Å; L195-V356 HydrophobicContact CD1-CG2 3.73Å; F197-V356 HydrophobicContact CE2-CG1 4.16Å; F197-V356 HydrophobicContact CZ-CB 4.43Å; F197-V356 HydrophobicContact CZ-CG1 4.44Å; L220-V356 HydrophobicContact CD2-CG1 4.29Å; L220-V356 HydrophobicContact CD2-CG2 3.81Å; L232-V356 HydrophobicContact CD1-CG1 4.39Å; L245-V356 HydrophobicContact CD1-CG1 4.32Å; I346-V356 HydrophobicContact CD1-CB 4.24Å; I346-V356 HydrophobicContact CD1-CG2 3.42Å; I346-V356 VanDerWaalsContact CD1-CG2 3.42Å; V356-A358 VanDerWaalsContact C-N 3.34Å; V356-A358 PolarHBondContact O-N 3.05Å; V356-V359 WeakPolarHBondContact O-CB 3.36Å; V356-V359 PolarHBondContact O-N 2.9Å; V356-V359 VanDerWaalsContact O-N 3.1Å; V356-I360 HydrophobicContact CG1-CD1 4.12Å; V356-I360 WeakPolarHBondContact O-CG1 3.49Å; V356-I360 PolarHBondContact O-N 2.72Å |
| 357 | E | 81.3 | Confident | 76.5 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 179.8 | -62.3 | 72.6 | -163.9 | 0 | 0 | 110.8 | F197 N355 V359 I360 T361 | F197-E357 WeakPolarHBondContact CZ-OE1 3.41Å; N355-E357 VanDerWaalsContact C-N 3.34Å; N355-E357 VanDerWaalsContact CB-OE2 3.28Å; N355-E357 WeakPolarHBondContact CB-OE2 3.24Å; N355-E357 PolarHBondContact ND2-OE2 2.78Å; E357-V359 VanDerWaalsContact C-N 3.34Å; E357-V359 PolarHBondContact O-N 2.99Å; E357-I360 WeakPolarHBondContact O-CB 3.4Å; E357-I360 PolarHBondContact O-N 3.39Å; E357-I360 VanDerWaalsContact O-N 3.11Å; E357-T361 PolarHBondContact O-N 2.8Å; E357-T361 PolarHBondContact O-OG1 2.82Å |
| 358 | A | 81.9 | Confident | 75.1 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -32.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F353 P354 N355 V356 I360 A362 | F353-A358 HydrophobicContact CB-CB 4.34Å; F353-A358 HydrophobicContact CD1-CB 4.22Å; P354-A358 HydrophobicContact CG-CB 3.91Å; N355-A358 WeakPolarHBondContact OD1-CB 3.38Å; N355-A358 PolarHBondContact OD1-N 3.29Å; V356-A358 VanDerWaalsContact C-N 3.34Å; V356-A358 PolarHBondContact O-N 3.05Å; A358-I360 VanDerWaalsContact C-N 3.32Å; A358-A362 WeakPolarHBondContact O-CB 3.3Å; A358-A362 PolarHBondContact O-N 3.11Å |
| 359 | V | 81.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 171.4 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | L245 I346 Y348 F353 V356 E357 A362 I363 | L245-V359 HydrophobicContact CD2-CG1 4.03Å; L245-V359 HydrophobicContact CD2-CG2 4.43Å; I346-V359 HydrophobicContact CB-CG2 4.47Å; I346-V359 HydrophobicContact CG2-CG2 4.19Å; Y348-V359 HydrophobicContact CD1-CG1 3.6Å; Y348-V359 HydrophobicContact CD2-CG1 4.33Å; Y348-V359 HydrophobicContact CE1-CG1 4.17Å; Y348-V359 HydrophobicContact CG-CG1 3.68Å; F353-V359 HydrophobicContact CB-CG2 3.72Å; F353-V359 HydrophobicContact CD1-CG2 4.37Å; F353-V359 HydrophobicContact CD2-CG2 3.69Å; F353-V359 HydrophobicContact CE2-CG2 4.41Å; F353-V359 HydrophobicContact CG-CG2 3.66Å; V356-V359 WeakPolarHBondContact O-CB 3.36Å; V356-V359 PolarHBondContact O-N 2.9Å; V356-V359 VanDerWaalsContact O-N 3.1Å; E357-V359 VanDerWaalsContact C-N 3.34Å; E357-V359 PolarHBondContact O-N 2.99Å; V359-A362 PolarHBondContact O-N 3.17Å; V359-I363 HydrophobicContact CG1-CD1 4.05Å; V359-I363 VanDerWaalsContact O-CG1 3.31Å; V359-I363 WeakPolarHBondContact O-CG1 3.18Å; V359-I363 PolarHBondContact O-N 3.43Å |
| 360 | I | 83.7 | Confident | 71.6 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 177.8 | -65.2 | 167.4 | 0 | 0 | 0 | 110.5 | Y218 L232 V356 E357 A358 A362 I363 E364 F418 | Y218-I360 HydrophobicContact CD1-CD1 3.99Å; Y218-I360 HydrophobicContact CD2-CD1 3.56Å; Y218-I360 HydrophobicContact CE1-CD1 3.72Å; Y218-I360 HydrophobicContact CE2-CD1 3.31Å; Y218-I360 HydrophobicContact CG-CD1 3.88Å; L232-I360 HydrophobicContact CD1-CD1 4.34Å; L232-I360 HydrophobicContact CD2-CD1 4.43Å; L232-I360 HydrophobicContact CD2-CG1 3.94Å; V356-I360 HydrophobicContact CG1-CD1 4.12Å; V356-I360 WeakPolarHBondContact O-CG1 3.49Å; V356-I360 PolarHBondContact O-N 2.72Å; E357-I360 WeakPolarHBondContact O-CB 3.4Å; E357-I360 PolarHBondContact O-N 3.39Å; E357-I360 VanDerWaalsContact O-N 3.11Å; A358-I360 VanDerWaalsContact C-N 3.32Å; I360-A362 VanDerWaalsContact C-N 3.26Å; I360-A362 PolarHBondContact O-N 2.98Å; I360-I363 CarbonylContact O-C 3.59Å; I360-I363 PolarHBondContact O-N 3.12Å; I360-I363 VanDerWaalsContact O-N 3.07Å; I360-E364 HydrophobicContact CG2-CG 4.46Å; I360-E364 WeakPolarHBondContact O-CG 3.46Å; I360-E364 PolarHBondContact O-N 3.14Å; I360-F418 HydrophobicContact CG2-CB 3.8Å |
| 361 | T | 84.6 | Confident | 70 | Confident | 82 Ų | 82 | 67 Ų | 67 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 174 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | E357 E364 S365 | E357-T361 PolarHBondContact O-N 2.8Å; E357-T361 PolarHBondContact O-OG1 2.82Å; T361-E364 PolarHBondContact O-N 3.31Å; T361-S365 WeakPolarHBondContact O-CB 3.32Å; T361-S365 PolarHBondContact O-N 2.78Å |
| 362 | A | 83 | Confident | 67.9 | Low | 17 Ų | 17 | 71.4 Ų | 71.4 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F353 A358 V359 I360 E364 S365 H366 | F353-A362 HydrophobicContact CE1-CB 3.62Å; F353-A362 HydrophobicContact CZ-CB 3.96Å; A358-A362 WeakPolarHBondContact O-CB 3.3Å; A358-A362 PolarHBondContact O-N 3.11Å; V359-A362 PolarHBondContact O-N 3.17Å; I360-A362 VanDerWaalsContact C-N 3.26Å; I360-A362 PolarHBondContact O-N 2.98Å; A362-E364 VanDerWaalsContact C-N 3.32Å; A362-E364 PolarHBondContact O-N 3.18Å; A362-S365 PolarHBondContact O-N 2.82Å; A362-S365 VanDerWaalsContact O-N 3.1Å; A362-S365 PolarHBondContact O-OG 3.49Å; A362-H366 PolarHBondContact O-CD2 2.71Å; A362-H366 VanDerWaalsContact O-CD2 3.25Å; A362-H366 PolarHBondContact O-N 2.8Å |
| 363 | I | 81.9 | Confident | 65.9 | Low | 28 Ų | 28 | 72.5 Ų | 72.5 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 176.2 | -69.1 | 166.6 | 0 | 0 | 0 | 111.7 | L234 Y348 V359 I360 | L234-I363 HydrophobicContact CD1-CD1 3.8Å; Y348-I363 HydrophobicContact CE1-CD1 4.06Å; Y348-I363 HydrophobicContact CE1-CG1 3.98Å; V359-I363 HydrophobicContact CG1-CD1 4.05Å; V359-I363 VanDerWaalsContact O-CG1 3.31Å; V359-I363 WeakPolarHBondContact O-CG1 3.18Å; V359-I363 PolarHBondContact O-N 3.43Å; I360-I363 CarbonylContact O-C 3.59Å; I360-I363 PolarHBondContact O-N 3.12Å; I360-I363 VanDerWaalsContact O-N 3.07Å |
| 364 | E | 81 | Confident | 63.5 | Low | 23 Ų | 23 | 79.6 Ų | 79.6 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 172.9 | -72.2 | 172.3 | -178.7 | 0 | 0 | 112.6 | I360 T361 A362 H367 V417 F418 | I360-E364 HydrophobicContact CG2-CG 4.46Å; I360-E364 WeakPolarHBondContact O-CG 3.46Å; I360-E364 PolarHBondContact O-N 3.14Å; T361-E364 PolarHBondContact O-N 3.31Å; A362-E364 VanDerWaalsContact C-N 3.32Å; A362-E364 PolarHBondContact O-N 3.18Å; E364-H367 PolarHBondContact O-CD2 2.9Å; E364-V417 WeakPolarHBondContact OE1-CA 3.42Å; E364-F418 HydrophobicContact CG-CD2 3.87Å; E364-F418 PolarHBondContact OE1-N 3.24Å |
| 365 | S | 73.1 | Confident | 61.5 | Low | 78 Ų | 78 | 83.8 Ų | 83.8 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -75.5 | -32.8 | 179.8 | 75.6 | 0 | 0 | 0 | 0 | 113.5 | T361 A362 H367 | T361-S365 WeakPolarHBondContact O-CB 3.32Å; T361-S365 PolarHBondContact O-N 2.78Å; A362-S365 PolarHBondContact O-N 2.82Å; A362-S365 VanDerWaalsContact O-N 3.1Å; A362-S365 PolarHBondContact O-OG 3.49Å; S365-H367 PolarHBondContact O-N 2.9Å |
| 366 | H | 64.1 | Low | 59.2 | Low | 124 Ų | 124 | 88.2 Ų | 88.2 | 57% | 0.574 | 43% | 0.432 | S | S | * | . | trans | -87.1 | 48.4 | -179.4 | -72.6 | -71.4 | 0 | 0 | 0 | 112.6 | A362 W368 | A362-H366 PolarHBondContact O-CD2 2.71Å; A362-H366 VanDerWaalsContact O-CD2 3.25Å; A362-H366 PolarHBondContact O-N 2.8Å; H366-W368 PolarHBondContact O-N 2.97Å | ||
| 367 | H | 52.1 | Low | 57.1 | Low | 60 Ų | 60 | 96 Ų | 96 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -68.2 | -11.8 | -168.5 | -136.4 | -61.9 | 0 | 0 | 0 | 115.4 | E364 S365 L370 H416 | E364-H367 PolarHBondContact O-CD2 2.9Å; S365-H367 PolarHBondContact O-N 2.9Å; H367-L370 WeakPolarHBondContact O-CD1 3.32Å; H367-H416 AromaticContact CE1-CD2 3.73Å; H367-H416 AromaticContact NE2-CD2 3.51Å; H367-H416 AromaticContact NE2-CG 3.93Å |
| 368 | W | 43.9 | Very low | 54.4 | Low | 230 Ų | 230 | 99.2 Ų | 99.2 | 87% | 0.871 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -79.3 | -31.1 | -175.3 | -70 | 103.7 | 0 | 0 | 0 | 114.2 | H366 L370 | H366-W368 PolarHBondContact O-N 2.97Å; W368-L370 PolarHBondContact O-N 2.82Å |
| 369 | D | 46.3 | Very low | 51.8 | Low | 105 Ų | 105 | 105.9 Ų | 105.9 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -75.8 | -0.3 | 178.7 | -63 | -30.7 | 0 | 0 | 0 | 112.8 | Y371 T373 | D369-Y371 VanDerWaalsContact C-N 3.31Å; D369-Y371 PolarHBondContact O-N 2.93Å; D369-T373 PolarHBondContact O-OG1 3.18Å |
| 370 | L | 41.3 | Very low | 49.3 | Very low | 32 Ų | 32 | 112 Ų | 112 | 17% | 0.168 | 56% | 0.562 | C | S | . | * | G | 310 helix | trans | -73.4 | -19.7 | 178.8 | -81.7 | 104.4 | 0 | 0 | 0 | 114.3 | D236 R241 H367 W368 | D236-L370 HydrophobicContact CB-CD2 4.25Å; R241-L370 PolarHBondContact NH2-O 2.85Å; H367-L370 WeakPolarHBondContact O-CD1 3.32Å; W368-L370 PolarHBondContact O-N 2.82Å |
| 371 | Y | 38.2 | Very low | 46.6 | Very low | 198 Ų | 198 | 118.9 Ų | 118.9 | 78% | 0.776 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -107.6 | -18 | -176.8 | -73.1 | -82.7 | 0 | 0 | 0 | 115.2 | D369 | D369-Y371 VanDerWaalsContact C-N 3.31Å; D369-Y371 PolarHBondContact O-N 2.93Å |
| 372 | H | 32.5 | Very low | 43.9 | Very low | 170 Ų | 170 | 119.9 Ų | 119.9 | 79% | 0.787 | 61% | 0.608 | S | S | * | * | trans | -121.9 | 81.1 | 175.7 | -72.7 | -55.5 | 0 | 0 | 0 | 111.5 | ||||
| 373 | T | 34.5 | Very low | 41.4 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | trans | -146.1 | 45.2 | 159.9 | -30.8 | 0 | 0 | 0 | 0 | 110.7 | D369 | D369-T373 PolarHBondContact O-OG1 3.18Š| ||
| 374 | E | 28.3 | Very low | 38.9 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 85% | 0.846 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -78.2 | 154.4 | 142.6 | -62.4 | -174.1 | 149.6 | 0 | 0 | 106.9 | ||
| 375 | E | 28.1 | Very low | 36.4 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 57.1 | 72.1 | -176.3 | -55.3 | -166.1 | 151.4 | 0 | 0 | 116.5 | ||
| 376 | L | 27.7 | Very low | 34.4 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 179.7 | 72.7 | 137.4 | -99.3 | 164.7 | 0 | 0 | 0 | 112.4 | ||
| 377 | N | 29.4 | Very low | 32.6 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | trans | 179.6 | 47.5 | 147.9 | -98.5 | -54.8 | 0 | 0 | 0 | 111.6 | L379 | N377-L379 PolarHBondContact O-N 3.28Š| ||
| 378 | T | 24.7 | Very low | 31.4 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -87.7 | 80.8 | 171.5 | 36.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 379 | L | 28.8 | Very low | 30.8 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -116.9 | 116.6 | 156.7 | -81.5 | 173.7 | 0 | 0 | 0 | 109.4 | N377 | N377-L379 PolarHBondContact O-N 3.28Š| ||
| 380 | N | 28.2 | Very low | 29.9 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -32 | 138.5 | -179.3 | -63.7 | -18.2 | 0 | 0 | 0 | 115.7 | ||||
| 381 | I | 27.2 | Very low | 29.3 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 60.1 | 116.8 | 63.6 | -60.5 | 167.5 | 0 | 0 | 0 | 109.2 | |||||
| 382 | S | 28.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | cis | -152.2 | -170.4 | -2.2 | -89.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 383 | D | 29.9 | Very low | 28.7 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | cis | -157.7 | 158 | 16.6 | -160.7 | 4.9 | 0 | 0 | 0 | 110.5 | ||||
| 384 | D | 29 | Very low | 28.3 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -160.6 | 76.9 | 159.6 | -148.5 | -1.5 | 0 | 0 | 0 | 109.9 | ||||
| 385 | G | 28.3 | Very low | 28.2 | Very low | 52 Ų | 52 | 140.4 Ų | 140.4 | 54% | 0.536 | 77% | 0.769 | S | S | . | * | trans | -91.7 | 115.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 386 | Y | 31.3 | Very low | 28.3 | Very low | 233 Ų | 233 | 138.4 Ų | 138.4 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | trans | -111.7 | 126 | 150.1 | -91.8 | -87.8 | 0 | 0 | 0 | 109.9 | ||||
| 387 | N | 27.5 | Very low | 28.4 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -114.6 | 175.4 | -162.9 | -126.1 | -37.4 | 0 | 0 | 0 | 112.4 | ||||
| 388 | C | 26.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | 91.6 | 147.6 | 164.5 | -56.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 389 | P | 32.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -140.8 | 145.5 | -43.7 | 36.9 | -21 | 0 | 0 | 0 | 115.2 | ||||
| 390 | I | 26.1 | Very low | 29.1 | Very low | 154 Ų | 154 | 133 Ų | 133 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | 34.9 | 143.3 | 124.9 | -66.1 | 173.1 | 0 | 0 | 0 | 120.8 | |||||
| 391 | N | 28.8 | Very low | 29.2 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | 79.5 | 144.8 | 172.7 | -78 | 29.8 | 0 | 0 | 0 | 117.2 | ||||
| 392 | D | 30.4 | Very low | 29.3 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | cis | -146.8 | -177 | 5.4 | -114.4 | -30.9 | 0 | 0 | 0 | 115.1 | ||||
| 393 | E | 27 | Very low | 29.5 | Very low | 173 Ų | 173 | 133 Ų | 133 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -79 | 152.1 | -155.4 | -49.3 | -177.6 | 114.4 | 0 | 0 | 121.2 | ||||
| 394 | A | 27 | Very low | 29.4 | Very low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | 65.8 | 154.5 | 128.1 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 395 | N | 25.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | 69.8 | 148 | 170.5 | -69.2 | -53.8 | 0 | 0 | 0 | 116.7 | ||||
| 396 | V | 30.8 | Very low | 29.5 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | cis | -125.5 | 161.1 | 23.7 | 173.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 397 | N | 28.8 | Very low | 29.3 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | -69.2 | 163.6 | -176.3 | -81.8 | -37.5 | 0 | 0 | 0 | 117.1 | ||||
| 398 | P | 41.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | trans | -93.4 | 158.1 | 174.4 | 38.2 | -36.2 | 0 | 0 | 0 | 114.7 | ||||
| 399 | T | 28.3 | Very low | 29.6 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | 179.5 | 152.4 | 161.4 | 20.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 400 | N | 29.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -159.7 | -166.9 | -13.7 | -146.6 | 43.3 | 0 | 0 | 0 | 110.6 | ||||
| 401 | D | 30.1 | Very low | 29.7 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 73.2 | 108.5 | 164.4 | -51.8 | -16.3 | 0 | 0 | 0 | 116.5 | ||||
| 402 | I | 28.7 | Very low | 29.8 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | cis | 89.5 | 92.1 | 23.3 | -48.2 | 168.9 | 0 | 0 | 0 | 115.7 | ||||
| 403 | S | 32 | Very low | 30.3 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -175.5 | 121.9 | 132.8 | 47.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 404 | S | 28.3 | Very low | 31.2 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | 68.4 | 131.7 | 53.9 | 80.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 405 | V | 28.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -164.5 | 143.3 | -6.8 | 114.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 406 | D | 31.4 | Very low | 34.5 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | 175.5 | 124 | 124 | -109.8 | -45.8 | 0 | 0 | 0 | 115.5 | |||||
| 407 | S | 27 | Very low | 36.7 | Very low | 97 Ų | 97 | 118 Ų | 118 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | 41.8 | 134.8 | 126.5 | -56.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 408 | S | 28.2 | Very low | 39.2 | Very low | 108 Ų | 108 | 112.3 Ų | 112.3 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | trans | 76.1 | 90.1 | 158.4 | 65.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 409 | N | 30.9 | Very low | 41.3 | Very low | 149 Ų | 149 | 114 Ų | 114 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | -163.2 | 140 | 115.2 | -102.6 | -47.1 | 0 | 0 | 0 | 113.2 | |||||
| 410 | I | 32.9 | Very low | 43.9 | Very low | 137 Ų | 137 | 109.5 Ų | 109.5 | 70% | 0.703 | 63% | 0.628 | S | S | * | * | trans | 28.9 | 111.7 | 159.5 | -52 | 177.2 | 0 | 0 | 0 | 117.4 | T412 | I410-T412 VanDerWaalsContact C-N 3.33Å; I410-T412 HydrophobicContact CG2-CG2 4.28Å; I410-T412 PolarHBondContact O-N 3.24Å | ||
| 411 | S | 28.2 | Very low | 46.4 | Very low | 122 Ų | 122 | 105.8 Ų | 105.8 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | trans | -71.8 | 80 | 166.5 | 58 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 412 | T | 31.2 | Very low | 48.7 | Very low | 105 Ų | 105 | 105.2 Ų | 105.2 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | trans | -67.6 | 133.5 | 157.4 | 48.5 | 0 | 0 | 0 | 0 | 108.9 | I410 I414 | I410-T412 VanDerWaalsContact C-N 3.33Å; I410-T412 HydrophobicContact CG2-CG2 4.28Å; I410-T412 PolarHBondContact O-N 3.24Å; T412-I414 PolarHBondContact O-N 2.82Å | ||
| 413 | P | 39.2 | Very low | 50.4 | Low | 118 Ų | 118 | 103.8 Ų | 103.8 | 77% | 0.766 | 59% | 0.585 | S | S | * | * | trans | -59.7 | 135.6 | 165.7 | 27.9 | -33.1 | 0 | 0 | 0 | 108.2 | Q415 | P413-Q415 VanDerWaalsContact C-N 3.3Å; P413-Q415 PolarHBondContact O-N 2.92Å | ||
| 414 | I | 47.2 | Very low | 51.5 | Low | 131 Ų | 131 | 108.5 Ų | 108.5 | 67% | 0.672 | 59% | 0.592 | S | S | * | * | trans | -70.5 | 94.2 | 175.6 | -59.4 | 178.2 | 0 | 0 | 0 | 106.8 | T412 H416 | T412-I414 PolarHBondContact O-N 2.82Å; I414-H416 PolarHBondContact O-CD2 2.65Å; I414-H416 PolarHBondContact O-N 2.85Å | ||
| 415 | Q | 54.6 | Low | 52.2 | Low | 140 Ų | 140 | 112.9 Ų | 112.9 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | trans | -67.8 | 106.6 | 175.5 | -172 | 173.1 | -7.2 | 0 | 0 | 107.7 | P413 V417 | P413-Q415 VanDerWaalsContact C-N 3.3Å; P413-Q415 PolarHBondContact O-N 2.92Å; Q415-V417 HydrophobicContact CG-CG2 4.04Å; Q415-V417 PolarHBondContact O-N 3.22Å | ||
| 416 | H | 66.3 | Low | 52.4 | Low | 57 Ų | 57 | 116.5 Ų | 116.5 | 26% | 0.264 | 60% | 0.599 | S | S | . | * | trans | -77.7 | 66.9 | -174.5 | -72.5 | -72 | 0 | 0 | 0 | 111.5 | F216 H367 I414 F418 | F216-H416 HydrophobicContact CD1-CB 3.68Å; F216-H416 AromaticContact CD2-ND1 3.72Å; F216-H416 HydrophobicContact CE1-CB 3.7Å; F216-H416 AromaticContact CE1-CG 3.69Å; F216-H416 AromaticContact CE1-ND1 3.55Å; F216-H416 AromaticContact CE2-CE1 3.74Å; F216-H416 AromaticContact CE2-ND1 3.14Å; F216-H416 WeakPolarHBondContact CE2-ND1 3.47Å; F216-H416 HydrophobicContact CG-CB 4.13Å; F216-H416 HydrophobicContact CZ-CB 4.17Å; F216-H416 AromaticContact CZ-CE1 3.54Å; F216-H416 AromaticContact CZ-CG 3.68Å; F216-H416 AromaticContact CZ-ND1 3.06Å; F216-H416 WeakPolarHBondContact CZ-ND1 2.94Å; H367-H416 AromaticContact CE1-CD2 3.73Å; H367-H416 AromaticContact NE2-CD2 3.51Å; H367-H416 AromaticContact NE2-CG 3.93Å; I414-H416 PolarHBondContact O-CD2 2.65Å; I414-H416 PolarHBondContact O-N 2.85Å; H416-F418 WeakPolarHBondContact O-CD2 3.48Å; H416-F418 PolarHBondContact O-N 3.01Å | ||
| 417 | V | 77.1 | Confident | 52.3 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 46% | 0.461 | 60% | 0.601 | S | S | . | * | trans | -60.8 | 117.2 | -179.3 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | E364 Q415 | E364-V417 WeakPolarHBondContact OE1-CA 3.42Å; Q415-V417 HydrophobicContact CG-CG2 4.04Å; Q415-V417 PolarHBondContact O-N 3.22Å | ||
| 418 | F | 82.6 | Confident | 52.5 | Low | 16 Ų | 16 | 120.2 Ų | 120.2 | 7% | 0.07 | 61% | 0.612 | C | S | . | * | trans | -75.6 | 137.8 | 179.6 | -83 | -89.8 | 0 | 0 | 0 | 110.7 | F216 Y218 L234 I360 E364 H416 | F216-F418 HydrophobicContact CB-CD1 4.24Å; F216-F418 HydrophobicContact CB-CE1 4.48Å; F216-F418 HydrophobicContact CB-CG 4.47Å; F216-F418 HydrophobicContact CD1-CE1 4.23Å; F216-F418 HydrophobicContact CD1-CE2 4.31Å; F216-F418 HydrophobicContact CD1-CZ 4.01Å; F216-F418 CarbonylContact O-C 3.53Å; F216-F418 WeakPolarHBondContact O-CA 3.38Å; Y218-F418 HydrophobicContact CD1-CB 3.83Å; Y218-F418 HydrophobicContact CE1-CB 4.31Å; Y218-F418 WeakPolarHBondContact CE1-O 3.46Å; L234-F418 HydrophobicContact CB-CD1 4.43Å; L234-F418 HydrophobicContact CB-CE1 3.95Å; L234-F418 HydrophobicContact CD2-CB 4.45Å; L234-F418 HydrophobicContact CD2-CD1 3.59Å; L234-F418 HydrophobicContact CD2-CD2 4.35Å; L234-F418 HydrophobicContact CD2-CE1 3.8Å; L234-F418 HydrophobicContact CD2-CG 3.89Å; L234-F418 HydrophobicContact CD2-CZ 4.27Å; I360-F418 HydrophobicContact CG2-CB 3.8Å; E364-F418 HydrophobicContact CG-CD2 3.87Å; E364-F418 PolarHBondContact OE1-N 3.24Å; H416-F418 WeakPolarHBondContact O-CD2 3.48Å; H416-F418 PolarHBondContact O-N 3.01Å | ||
| 419 | K | 83.7 | Confident | 52.4 | Low | 145 Ų | 145 | 120.8 Ų | 120.8 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.2 | -174.2 | -65.8 | -177.1 | -179.2 | 178 | 0 | 113 | F216 S217 Y218 | F216-K419 PolarHBondContact O-N 3.48Å; S217-K419 CarbonylContact C-O 3.57Å; S217-K419 WeakPolarHBondContact CA-O 3.46Å; Y218-K419 VanDerWaalsContact CD1-O 3.24Å; Y218-K419 WeakPolarHBondContact CD1-O 3.42Å; Y218-K419 PolarHBondContact N-O 3.04Å |
| 420 | P | 83.9 | Confident | 52.2 | Low | 42 Ų | 42 | 122.5 Ų | 122.5 | 27% | 0.273 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.3 | 133.4 | -179.7 | 23.2 | -31.6 | 0 | 0 | 0 | 112.6 | F197 Y218 F422 | F197-P420 HydrophobicContact CB-CB 3.65Å; F197-P420 HydrophobicContact CD1-CB 3.49Å; F197-P420 VanDerWaalsContact CD1-CB 3.49Å; F197-P420 HydrophobicContact CD1-CG 4.48Å; F197-P420 HydrophobicContact CE1-CB 4.36Å; F197-P420 HydrophobicContact CG-CB 3.82Å; Y218-P420 HydrophobicContact CE1-CB 4.06Å; Y218-P420 HydrophobicContact CE1-CG 4.41Å; Y218-P420 HydrophobicContact CE2-CB 3.98Å; P420-F422 HydrophobicContact CB-CD1 4.33Å; P420-F422 HydrophobicContact CB-CE1 3.83Å; P420-F422 HydrophobicContact CB-CZ 4.06Å; P420-F422 HydrophobicContact CG-CE1 3.76Å; P420-F422 HydrophobicContact CG-CE2 4.2Å; P420-F422 HydrophobicContact CG-CZ 3.51Å |
| 421 | L | 82 | Confident | 51.8 | Low | 38 Ų | 38 | 123 Ų | 123 | 20% | 0.199 | 62% | 0.617 | C | S | . | * | trans | -94.5 | 94.8 | 173.6 | -179 | 54.4 | 0 | 0 | 0 | 111 | H199 L209 L210 A213 Y218 L219 | H199-L421 PolarHBondContact NE2-O 2.55Å; L209-L421 HydrophobicContact CB-CD2 3.99Å; L209-L421 WeakPolarHBondContact O-CD2 3.46Å; L210-L421 HydrophobicContact CD2-CD2 4.03Å; L210-L421 HydrophobicContact CG-CD2 4.45Å; A213-L421 HydrophobicContact CB-CD1 3.75Å; A213-L421 HydrophobicContact CB-CD2 3.94Å; A213-L421 HydrophobicContact CB-CG 4.35Å; Y218-L421 WeakPolarHBondContact O-CB 3.08Å; Y218-L421 PolarHBondContact O-N 2.94Å; L219-L421 HydrophobicContact CB-CB 4.28Å; L219-L421 HydrophobicContact CD2-CD2 4.2Å | ||
| 422 | F | 78 | Confident | 51.6 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 54% | 0.544 | 60% | 0.602 | S | S | . | * | trans | -66.1 | 142.8 | -174.1 | -56 | -62.6 | 0 | 0 | 0 | 114.7 | D196 P420 K424 | D196-F422 HydrophobicContact CB-CD1 3.55Å; D196-F422 HydrophobicContact CB-CE1 4.07Å; D196-F422 CarbonylContact O-C 3.52Å; D196-F422 VanDerWaalsContact O-CA 3.28Å; D196-F422 WeakPolarHBondContact O-CA 3.3Å; P420-F422 HydrophobicContact CB-CD1 4.33Å; P420-F422 HydrophobicContact CB-CE1 3.83Å; P420-F422 HydrophobicContact CB-CZ 4.06Å; P420-F422 HydrophobicContact CG-CE1 3.76Å; P420-F422 HydrophobicContact CG-CE2 4.2Å; P420-F422 HydrophobicContact CG-CZ 3.51Å; F422-K424 PolarHBondContact O-N 2.94Å | ||
| 423 | R | 65.8 | Low | 51.4 | Low | 109 Ų | 109 | 122.6 Ų | 122.6 | 41% | 0.411 | 61% | 0.613 | S | S | . | * | trans | -74.4 | 116.5 | 178.6 | -171.7 | -177.6 | -174.4 | -153.2 | 5.8 | 111.3 | D196 P200 D201 R425 | D196-R423 PolarHBondContact O-N 3.2Å; P200-R423 VanDerWaalsContact CG-CZ 3.48Å; D201-R423 IonicContact OD2-CZ 3.62Å; D201-R423 IonicContact OD2-NH2 3.68Å; D201-R423 PolarHBondContact OD2-NH2 3.13Å; R423-R425 PolarHBondContact O-N 3.24Å | ||
| 424 | K | 54.8 | Low | 50.7 | Low | 204 Ų | 204 | 121.4 Ų | 121.4 | 89% | 0.887 | 61% | 0.607 | S | S | * | * | trans | -68.2 | 100 | 168.5 | -73.8 | -165.9 | 174.8 | -168.8 | 0 | 110.5 | F422 K426 | F422-K424 PolarHBondContact O-N 2.94Å; K424-K426 PolarHBondContact O-N 3.37Å | ||
| 425 | R | 42.1 | Very low | 49.7 | Very low | 194 Ų | 194 | 120.5 Ų | 120.5 | 73% | 0.732 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.5 | 169.6 | -56.1 | -177.6 | -165.9 | -177.5 | 6.4 | 108.5 | D196 R423 | D196-R425 IonicContact OD1-NH2 2.95Å; D196-R425 PolarHBondContact OD1-NH2 2.79Å; R423-R425 PolarHBondContact O-N 3.24Å |
| 426 | K | 33.1 | Very low | 48.4 | Very low | 197 Ų | 197 | 121.5 Ų | 121.5 | 86% | 0.857 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 144.9 | 165.3 | -80.4 | -175.2 | 175.4 | -179.8 | 0 | 108.6 | K424 Q428 | K424-K426 PolarHBondContact O-N 3.37Å; K426-Q428 PolarHBondContact O-N 3.11Å |
| 427 | P | 29.1 | Very low | 46.3 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 135.4 | 167.6 | 27.7 | -33.7 | 0 | 0 | 0 | 109.3 | V429 | P427-V429 PolarHBondContact O-N 2.97Š|
| 428 | Q | 31.2 | Very low | 43.7 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 90% | 0.902 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 119 | 179.8 | -154.5 | 175 | 11.1 | 0 | 0 | 108.6 | K426 | K426-Q428 PolarHBondContact O-N 3.11Š|
| 429 | V | 27 | Very low | 40.8 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 120.3 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | P427 L431 | P427-V429 PolarHBondContact O-N 2.97Å; V429-L431 PolarHBondContact O-N 2.96Å |
| 430 | H | 25.6 | Very low | 37.8 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 86% | 0.861 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.1 | 168.6 | -80.8 | -86.7 | 0 | 0 | 0 | 109.7 | ||
| 431 | L | 24.4 | Very low | 35 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 145.4 | 162.4 | -88.2 | 76.3 | 0 | 0 | 0 | 109.5 | V429 | V429-L431 PolarHBondContact O-N 2.96Š|
| 432 | P | 23.9 | Very low | 32.1 | Very low | 83 Ų | 83 | 149 Ų | 149 | 54% | 0.539 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -73.1 | 152.5 | 179.3 | 30.9 | -35.4 | 0 | 0 | 0 | 111.8 | S434 | P432-S434 PolarHBondContact O-N 3.12Š|
| 433 | P | 27.2 | Very low | 29.6 | Very low | 135 Ų | 135 | 147 Ų | 147 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -78.2 | 39.1 | -175.3 | 34.8 | -38.6 | 0 | 0 | 0 | 113.5 | ||
| 434 | S | 24.9 | Very low | 27.6 | Very low | 92 Ų | 92 | 150.2 Ų | 150.2 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -137.4 | 40.7 | -166.5 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | P432 | P432-S434 PolarHBondContact O-N 3.12Š| ||
| 435 | T | 26.9 | Very low | 26.2 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | -132.6 | 39.8 | 171.2 | -37.5 | 0 | 0 | 0 | 0 | 112.1 | Y437 | T435-Y437 PolarHBondContact O-N 2.85Š| ||
| 436 | I | 25.7 | Very low | 25.4 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | -78.5 | 95.9 | 167.4 | -57.7 | 176.4 | 0 | 0 | 0 | 107.6 | ||||
| 437 | Y | 22.6 | Very low | 25.2 | Very low | 206 Ų | 206 | 135.8 Ų | 135.8 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | -132.6 | 104 | 175.7 | -105.6 | -83.1 | 0 | 0 | 0 | 112.9 | T435 | T435-Y437 PolarHBondContact O-N 2.85Š| ||
| 438 | M | 22.1 | Very low | 25.2 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 77% | 0.768 | 73% | 0.726 | S | S | * | * | trans | 56.8 | 99.2 | 160.7 | -60.7 | -165.7 | 73.2 | 0 | 0 | 118.3 | M440 | M438-M440 PolarHBondContact O-N 3.33Å; M438-M440 VanDerWaalsContact O-N 3.11Å | ||
| 439 | D | 21.9 | Very low | 25.2 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | trans | -51.2 | 110.5 | 146.7 | -134.1 | -13.3 | 0 | 0 | 0 | 109.4 | C441 | D439-C441 PolarHBondContact O-N 3.42Š| ||
| 440 | M | 21.6 | Very low | 25.6 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | -77 | 78.9 | 175.9 | -100.5 | -177.7 | 54.3 | 0 | 0 | 110.2 | M438 Y442 | M438-M440 PolarHBondContact O-N 3.33Å; M438-M440 VanDerWaalsContact O-N 3.11Å; M440-Y442 VanDerWaalsContact C-N 3.29Å; M440-Y442 HydrophobicContact CE-CD2 4.06Å; M440-Y442 HydrophobicContact CE-CE2 3.42Å; M440-Y442 VanDerWaalsContact CE-CE2 3.42Å; M440-Y442 PolarHBondContact O-N 2.73Å | ||
| 441 | C | 24.3 | Very low | 26.1 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -56 | 90.6 | 162.3 | -79.7 | 0 | 0 | 0 | 0 | 110 | D439 A443 | D439-C441 PolarHBondContact O-N 3.42Å; C441-A443 PolarHBondContact O-N 3.42Å | ||
| 442 | Y | 22.5 | Very low | 26.7 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 77% | 0.765 | 67% | 0.671 | S | S | * | * | trans | -61.4 | 107 | 175.6 | -113 | -78.7 | 0 | 0 | 0 | 109.5 | M440 R444 | M440-Y442 VanDerWaalsContact C-N 3.29Å; M440-Y442 HydrophobicContact CE-CD2 4.06Å; M440-Y442 HydrophobicContact CE-CE2 3.42Å; M440-Y442 VanDerWaalsContact CE-CE2 3.42Å; M440-Y442 PolarHBondContact O-N 2.73Å; Y442-R444 PolarHBondContact O-N 3.26Å | ||
| 443 | A | 24.7 | Very low | 27.7 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | trans | -65.5 | 126.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C441 Q445 | C441-A443 PolarHBondContact O-N 3.42Å; A443-Q445 PolarHBondContact O-N 3.05Å | ||
| 444 | R | 24.3 | Very low | 28.6 | Very low | 176 Ų | 176 | 119.4 Ų | 119.4 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | trans | -62.9 | 104.6 | 152.6 | -64.7 | -170.7 | -170.9 | -157 | 5 | 106.6 | Y442 | Y442-R444 PolarHBondContact O-N 3.26Š| ||
| 445 | Q | 24.6 | Very low | 30 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 52% | 0.519 | 61% | 0.611 | S | S | . | * | trans | -54.5 | 135.7 | 163.2 | -81.8 | -174.3 | -19.7 | 0 | 0 | 108.1 | A443 P447 S1131 S1132 | A443-Q445 PolarHBondContact O-N 3.05Å; Q445-P447 WeakPolarHBondContact O-CD 3.41Å; Q445-P447 VanDerWaalsContact O-N 3.16Å; Q445-S1131 PolarHBondContact NE2-O 3.42Å; Q445-S1132 PolarHBondContact NE2-OG 3.02Å | ||
| 446 | P | 26.6 | Very low | 31.8 | Very low | 104 Ų | 104 | 111.2 Ų | 111.2 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | trans | -66.7 | 114.2 | 176 | 26.7 | -32.5 | 0 | 0 | 0 | 108.9 | ||||
| 447 | P | 27.8 | Very low | 34.2 | Very low | 78 Ų | 78 | 104.6 Ų | 104.6 | 51% | 0.506 | 55% | 0.545 | S | S | . | . | trans | -66.5 | 142.5 | 179.8 | 28.5 | -34.1 | 0 | 0 | 0 | 109.7 | Q445 S449 | Q445-P447 WeakPolarHBondContact O-CD 3.41Å; Q445-P447 VanDerWaalsContact O-N 3.16Å; P447-S449 PolarHBondContact O-N 3Å | ||
| 448 | T | 29.3 | Very low | 36.5 | Very low | 134 Ų | 134 | 95.7 Ų | 95.7 | 82% | 0.822 | 52% | 0.516 | S | S | * | . | trans | -54 | 128.6 | -174.5 | 42.4 | 0 | 0 | 0 | 0 | 112 | H450 | T448-H450 PolarHBondContact O-N 2.97Š| ||
| 449 | S | 30.3 | Very low | 39.1 | Very low | 70 Ų | 70 | 90.9 Ų | 90.9 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -72.3 | 90.1 | -177.9 | 57 | 0 | 0 | 0 | 0 | 111.4 | P447 | P447-S449 PolarHBondContact O-N 3Š|
| 450 | H | 36.5 | Very low | 42.2 | Very low | 164 Ų | 164 | 84 Ų | 84 | 76% | 0.759 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -165.2 | 54.3 | 159.2 | -83.5 | -38.2 | 0 | 0 | 0 | 113.6 | T448 | T448-H450 PolarHBondContact O-N 2.97Š|
| 451 | Q | 36.5 | Very low | 45.1 | Very low | 116 Ų | 116 | 77.7 Ų | 77.7 | 54% | 0.542 | 42% | 0.424 | S | S | . | . | trans | 176.6 | 89 | 154.1 | -102.5 | 166.2 | 4.3 | 0 | 0 | 109.2 | V453 K480 | Q451-V453 PolarHBondContact O-N 2.87Å; Q451-K480 VanDerWaalsContact O-CD 3.23Å; Q451-K480 WeakPolarHBondContact O-CD 3.44Å | ||
| 452 | S | 36.7 | Very low | 48.2 | Very low | 45 Ų | 45 | 72.7 Ų | 72.7 | 32% | 0.315 | 39% | 0.39 | S | S | . | . | trans | -75.5 | 115.4 | 169.7 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | T454 D478 P694 | S452-T454 PolarHBondContact O-N 3.29Å; S452-D478 WeakPolarHBondContact CA-OD2 3.31Å; S452-D478 WeakPolarHBondContact CB-OD2 3.48Å; S452-P694 WeakPolarHBondContact OG-CB 3.47Å | ||
| 453 | V | 45.6 | Very low | 51.3 | Low | 58 Ų | 58 | 65.9 Ų | 65.9 | 35% | 0.352 | 36% | 0.362 | S | S | . | . | trans | -93.8 | 92.8 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | Q451 E455 R479 | Q451-V453 PolarHBondContact O-N 2.87Å; V453-E455 PolarHBondContact O-N 3.06Å; V453-R479 WeakPolarHBondContact O-CB 3.49Å; V453-R479 PolarHBondContact O-N 2.98Å | ||
| 454 | T | 45.8 | Very low | 54.1 | Low | 52 Ų | 52 | 64.5 Ų | 64.5 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 114.1 | 170 | 30.9 | 0 | 0 | 0 | 0 | 110 | S452 H476 L477 | S452-T454 PolarHBondContact O-N 3.29Å; T454-H476 HydrophobicContact CG2-CB 4.4Å; T454-H476 VanDerWaalsContact CG2-CD2 3.42Å; T454-H476 WeakPolarHBondContact CG2-CD2 3.14Å; T454-L477 WeakPolarHBondContact CA-O 3.43Å |
| 455 | E | 52.7 | Low | 56.5 | Low | 28 Ų | 28 | 62 Ų | 62 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -44.1 | -179.8 | -149.6 | -177.4 | 133.1 | 0 | 0 | 111.5 | V453 L477 R479 R648 S652 H656 | V453-E455 PolarHBondContact O-N 3.06Å; E455-L477 HydrophobicContact CB-CD2 4.48Å; E455-L477 HydrophobicContact CB-CG 4.36Å; E455-L477 PolarHBondContact N-O 3.11Å; E455-R479 HydrophobicContact CB-CB 4.07Å; E455-R479 HydrophobicContact CG-CB 4.24Å; E455-R479 WeakPolarHBondContact OE2-CB 3.49Å; E455-R479 VanDerWaalsContact OE2-CD 3.31Å; E455-R479 WeakPolarHBondContact OE2-CD 3.17Å; E455-R479 WeakPolarHBondContact OE2-CG 3.38Å; E455-R648 PolarHBondContact O-NH2 3Å; E455-S652 WeakPolarHBondContact OE1-CB 3.49Å; E455-S652 PolarHBondContact OE1-OG 2.71Å; E455-H656 IonicContact OE2-CD2 2.72Å; E455-H656 IonicContact OE2-CE1 3.78Å; E455-H656 IonicContact OE2-NE2 2.78Å; E455-H656 PolarHBondContact OE2-NE2 2.64Å |
| 456 | I | 64.7 | Low | 58.9 | Low | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 141.5 | -179.2 | -54.6 | -170.2 | 0 | 0 | 0 | 108.3 | H476 L477 R648 W649 S652 | I456-H476 WeakPolarHBondContact O-CA 3.5Å; I456-L477 HydrophobicContact CB-CB 4.41Å; I456-L477 PolarHBondContact O-N 3.49Å; I456-R648 HydrophobicContact CD1-CB 4.28Å; I456-R648 HydrophobicContact CD1-CG 3.92Å; I456-R648 WeakPolarHBondContact CD1-O 3.21Å; I456-W649 HydrophobicContact CG2-CD2 3.73Å; I456-W649 VanDerWaalsContact CG2-CE2 3.45Å; I456-W649 HydrophobicContact CG2-CE3 4.13Å; I456-W649 HydrophobicContact CG2-CG 4.23Å; I456-W649 HydrophobicContact CG2-CH2 4.05Å; I456-W649 HydrophobicContact CG2-CZ2 3.64Å; I456-W649 HydrophobicContact CG2-CZ3 4.27Å; I456-S652 WeakPolarHBondContact CD1-OG 3.31Å |
| 457 | H | 76.1 | Confident | 61.2 | Low | 24 Ų | 24 | 69.7 Ų | 69.7 | 11% | 0.111 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 162.6 | 164.4 | 62.2 | 83.9 | 0 | 0 | 0 | 109.4 | Y474 A475 H476 E715 I716 G717 | H457-Y474 VanDerWaalsContact CG-OH 3.32Å; H457-Y474 AromaticContact ND1-CZ 3.83Å; H457-Y474 PolarHBondContact ND1-OH 3.41Å; H457-A475 CarbonylContact C-O 3.52Å; H457-A475 WeakPolarHBondContact CA-O 3.44Å; H457-A475 VanDerWaalsContact CB-O 3.31Å; H457-A475 WeakPolarHBondContact CB-O 3.38Å; H457-H476 HydrophobicContact CB-CB 4.12Å; H457-E715 VanDerWaalsContact CE1-C 3.45Å; H457-E715 WeakPolarHBondContact CE1-CB 3.5Å; H457-E715 VanDerWaalsContact CE1-CD 3.41Å; H457-E715 WeakPolarHBondContact CE1-CG 3.23Å; H457-E715 PolarHBondContact CE1-O 3.17Å; H457-E715 IonicContact CE1-OE2 2.64Å; H457-E715 PolarHBondContact CE1-OE2 3.34Å; H457-E715 PolarHBondContact NE2-O 3.03Å; H457-E715 VanDerWaalsContact NE2-O 3.14Å; H457-I716 WeakPolarHBondContact NE2-CA 3.34Å; H457-I716 PolarHBondContact NE2-N 2.86Å; H457-I716 PolarHBondContact NE2-O 3.04Å; H457-G717 WeakPolarHBondContact NE2-CA 3.22Å; H457-G717 PolarHBondContact NE2-N 3.11Å |
| 458 | G | 70.7 | Confident | 63.7 | Low | 18 Ų | 18 | 74.3 Ų | 74.3 | 19% | 0.186 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.3 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A475 | G458-A475 PolarHBondContact N-O 2.83Å; G458-A475 PolarHBondContact O-N 2.87Å |
| 459 | E | 78.5 | Confident | 66.3 | Low | 56 Ų | 56 | 75 Ų | 75 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.5 | 173.7 | -66.4 | -174.9 | 174 | 0 | 0 | 110 | L472 Y474 E538 | E459-L472 HydrophobicContact CB-CD1 4.05Å; E459-Y474 HydrophobicContact CG-CD2 4.46Å; E459-E538 HydrophobicContact CB-CB 4.24Å; E459-E538 PolarHBondContact O-N 3.26Å |
| 460 | L | 85.3 | Confident | 68.9 | Low | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.9 | 169.1 | -66.4 | -176.9 | 0 | 0 | 0 | 108.4 | C473 A475 L486 F518 L535 R536 V537 W649 | L460-C473 PolarHBondContact N-O 3.2Å; L460-C473 CarbonylContact O-C 3.51Å; L460-C473 WeakPolarHBondContact O-CA 3.42Å; L460-C473 PolarHBondContact O-N 2.89Å; L460-A475 HydrophobicContact CB-CB 4.14Å; L460-A475 HydrophobicContact CD1-CB 3.52Å; L460-A475 HydrophobicContact CG-CB 3.63Å; L460-L486 HydrophobicContact CD1-CD2 4.21Å; L460-F518 HydrophobicContact CD1-CZ 3.97Å; L460-F518 HydrophobicContact CD2-CE1 4.1Å; L460-F518 HydrophobicContact CD2-CZ 4.11Å; L460-L535 HydrophobicContact CD1-CD2 3.74Å; L460-R536 CarbonylContact C-O 3.48Å; L460-R536 WeakPolarHBondContact CA-O 3.22Å; L460-V537 HydrophobicContact CD2-CB 4.4Å; L460-V537 HydrophobicContact CD2-CG2 4.02Å; L460-W649 HydrophobicContact CD1-CE3 4.41Å; L460-W649 HydrophobicContact CD1-CH2 3.98Å; L460-W649 HydrophobicContact CD1-CZ2 4.08Å; L460-W649 HydrophobicContact CD1-CZ3 4.14Å; L460-W649 HydrophobicContact CD2-CD2 4.29Å; L460-W649 HydrophobicContact CD2-CZ2 4.28Å; L460-W649 HydrophobicContact CG-CH2 4.45Å; L460-W649 HydrophobicContact CG-CZ2 4.08Å |
| 461 | S | 83.6 | Confident | 71.2 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.5 | 162.1 | 66.4 | 0 | 0 | 0 | 0 | 110.3 | W470 K471 L535 R536 E538 | S461-W470 WeakPolarHBondContact O-CZ3 3.34Å; S461-K471 CarbonylContact C-O 3.42Å; S461-K471 VanDerWaalsContact CA-O 3.23Å; S461-K471 WeakPolarHBondContact CA-O 3.35Å; S461-L535 CarbonylContact O-C 3.51Å; S461-L535 WeakPolarHBondContact O-CA 3.39Å; S461-R536 PolarHBondContact N-O 3.16Å; S461-R536 PolarHBondContact O-N 3.09Å; S461-E538 WeakPolarHBondContact CB-OE1 3.48Å; S461-E538 WeakPolarHBondContact OG-CG 3.42Å; S461-E538 PolarHBondContact OG-OE1 3.03Å |
| 462 | I | 88.6 | Confident | 73.5 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 140.8 | 173.8 | -164.5 | 166.1 | 0 | 0 | 0 | 109.7 | W470 K471 L486 F533 V534 L535 | I462-W470 CarbonylContact O-C 3.53Å; I462-W470 WeakPolarHBondContact O-CA 3.34Å; I462-K471 HydrophobicContact CG2-CB 4.24Å; I462-K471 PolarHBondContact N-O 3.36Å; I462-K471 PolarHBondContact O-N 2.79Å; I462-L486 HydrophobicContact CD1-CD1 3.78Å; I462-F533 HydrophobicContact CD1-CB 4.29Å; I462-F533 HydrophobicContact CD1-CD1 3.79Å; I462-F533 HydrophobicContact CD1-CG 4.4Å; I462-V534 WeakPolarHBondContact CA-O 3.33Å; I462-L535 HydrophobicContact CG1-CG 4.36Å |
| 463 | W | 88.5 | Confident | 75.7 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 19% | 0.193 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 118.1 | 176.6 | 179.1 | -109.9 | 0 | 0 | 0 | 110.6 | Q465 K468 W470 Y512 V534 | W463-Q465 PolarHBondContact O-N 2.8Å; W463-K468 HydrophobicContact CH2-CB 4.03Å; W463-K468 VanDerWaalsContact CH2-O 3.26Å; W463-K468 WeakPolarHBondContact CH2-O 3.45Å; W463-K468 HydrophobicContact CZ2-CB 4.01Å; W463-K468 HydrophobicContact CZ2-CG 4.38Å; W463-W470 HydrophobicContact CB-CE3 4.19Å; W463-W470 HydrophobicContact CB-CH2 4.28Å; W463-W470 HydrophobicContact CB-CZ3 4.06Å; W463-W470 AromaticContact CE3-CD1 3.69Å; W463-W470 AromaticContact CE3-CD2 3.88Å; W463-W470 HydrophobicContact CE3-CD2 3.88Å; W463-W470 AromaticContact CE3-CE2 3.7Å; W463-W470 AromaticContact CE3-CG 3.9Å; W463-W470 HydrophobicContact CE3-CG 3.9Å; W463-W470 HydrophobicContact CE3-CZ2 4.33Å; W463-W470 AromaticContact CE3-NE1 3.54Å; W463-W470 AromaticContact CZ3-CD1 3.67Å; W463-W470 HydrophobicContact CZ3-CG 4.28Å; W463-W470 AromaticContact CZ3-NE1 3.63Å; W463-Y512 HydrophobicContact CD2-CD1 4.42Å; W463-Y512 HydrophobicContact CD2-CE1 4.09Å; W463-Y512 AromaticContact CE2-CE1 3.89Å; W463-Y512 HydrophobicContact CG-CE1 4.16Å; W463-Y512 HydrophobicContact CZ2-CE1 4.4Å; W463-Y512 AromaticContact NE1-CE1 3.86Å; W463-V534 HydrophobicContact CB-CB 3.98Å; W463-V534 HydrophobicContact CB-CG1 4.18Å; W463-V534 PolarHBondContact N-O 2.6Å |
| 464 | L | 83 | Confident | 77.5 | Confident | 53 Ų | 53 | 65 Ų | 65 | 28% | 0.277 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 96.2 | 176.7 | -66.5 | 175.2 | 0 | 0 | 0 | 110.4 | Q466 R467 K468 K469 K471 | L464-Q466 VanDerWaalsContact C-N 3.3Å; L464-Q466 PolarHBondContact O-N 3.1Å; L464-R467 HydrophobicContact CB-CB 4.25Å; L464-R467 CarbonylContact O-C 3.52Å; L464-R467 PolarHBondContact O-N 2.89Å; L464-K468 PolarHBondContact O-N 3.3Å; L464-K469 PolarHBondContact N-O 2.87Å; L464-K471 HydrophobicContact CD1-CB 3.84Å; L464-K471 HydrophobicContact CD1-CD 4Å; L464-K471 HydrophobicContact CG-CB 4.28Å |
| 465 | Q | 75 | Confident | 79.4 | Confident | 123 Ų | 123 | 62.6 Ų | 62.6 | 58% | 0.575 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -42.8 | -52.5 | -179.8 | -151.8 | 79.5 | -43.1 | 0 | 0 | 112.6 | W463 R467 K468 | W463-Q465 PolarHBondContact O-N 2.8Å; Q465-R467 VanDerWaalsContact C-N 3.26Å; Q465-R467 PolarHBondContact O-N 2.83Å; Q465-K468 PolarHBondContact O-N 3.33Å |
| 466 | Q | 73.9 | Confident | 80.6 | Confident | 196 Ų | 196 | 61.9 Ų | 61.9 | 92% | 0.916 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -62.7 | -23.9 | -179.5 | -65.6 | -178.9 | -4.3 | 0 | 0 | 114.9 | L464 | L464-Q466 VanDerWaalsContact C-N 3.3Å; L464-Q466 PolarHBondContact O-N 3.1Å |
| 467 | R | 75.7 | Confident | 81.3 | Confident | 182 Ų | 182 | 61.7 Ų | 61.7 | 69% | 0.687 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -112 | -2.3 | -176.3 | -68.4 | -175.4 | 176.1 | 179 | -1.8 | 113.3 | L464 Q465 K469 | L464-R467 HydrophobicContact CB-CB 4.25Å; L464-R467 CarbonylContact O-C 3.52Å; L464-R467 PolarHBondContact O-N 2.89Å; Q465-R467 VanDerWaalsContact C-N 3.26Å; Q465-R467 PolarHBondContact O-N 2.83Å; R467-K469 HydrophobicContact CB-CB 4.39Å; R467-K469 PolarHBondContact O-N 3.18Å; R467-K469 VanDerWaalsContact O-N 3.13Å |
| 468 | K | 80.2 | Confident | 81.1 | Confident | 175 Ų | 175 | 61 Ų | 61 | 76% | 0.761 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41 | 44.9 | -171.3 | -63.1 | -167.2 | 176.2 | -169.9 | 0 | 112.7 | W463 L464 Q465 | W463-K468 HydrophobicContact CH2-CB 4.03Å; W463-K468 VanDerWaalsContact CH2-O 3.26Å; W463-K468 WeakPolarHBondContact CH2-O 3.45Å; W463-K468 HydrophobicContact CZ2-CB 4.01Å; W463-K468 HydrophobicContact CZ2-CG 4.38Å; L464-K468 PolarHBondContact O-N 3.3Å; Q465-K468 PolarHBondContact O-N 3.33Å |
| 469 | K | 84 | Confident | 80.8 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.3 | -173.4 | -169.6 | 178.3 | 178.6 | -179 | 0 | 111.5 | L464 R467 | L464-K469 PolarHBondContact N-O 2.87Å; R467-K469 HydrophobicContact CB-CB 4.39Å; R467-K469 PolarHBondContact O-N 3.18Å; R467-K469 VanDerWaalsContact O-N 3.13Å |
| 470 | W | 84.2 | Confident | 79.9 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132.9 | 167.8 | -68.1 | 97.3 | 0 | 0 | 0 | 111 | S461 I462 W463 Y512 K514 V534 R536 | S461-W470 WeakPolarHBondContact O-CZ3 3.34Å; I462-W470 CarbonylContact O-C 3.53Å; I462-W470 WeakPolarHBondContact O-CA 3.34Å; W463-W470 HydrophobicContact CB-CE3 4.19Å; W463-W470 HydrophobicContact CB-CH2 4.28Å; W463-W470 HydrophobicContact CB-CZ3 4.06Å; W463-W470 AromaticContact CE3-CD1 3.69Å; W463-W470 AromaticContact CE3-CD2 3.88Å; W463-W470 HydrophobicContact CE3-CD2 3.88Å; W463-W470 AromaticContact CE3-CE2 3.7Å; W463-W470 AromaticContact CE3-CG 3.9Å; W463-W470 HydrophobicContact CE3-CG 3.9Å; W463-W470 HydrophobicContact CE3-CZ2 4.33Å; W463-W470 AromaticContact CE3-NE1 3.54Å; W463-W470 AromaticContact CZ3-CD1 3.67Å; W463-W470 HydrophobicContact CZ3-CG 4.28Å; W463-W470 AromaticContact CZ3-NE1 3.63Å; W470-Y512 HydrophobicContact CZ2-CD1 4.16Å; W470-Y512 AromaticContact CZ2-CG 3.95Å; W470-Y512 HydrophobicContact CZ2-CG 3.95Å; W470-K514 VanDerWaalsContact CD1-NZ 3.33Å; W470-K514 HydrophobicContact CD2-CD 4.33Å; W470-K514 VanDerWaalsContact CG-NZ 3.3Å; W470-K514 HydrophobicContact CZ2-CD 3.83Å; W470-V534 HydrophobicContact CH2-CG1 3.85Å; W470-V534 HydrophobicContact CZ3-CG1 4.39Å; W470-R536 HydrophobicContact CE3-CB 4.26Å; W470-R536 HydrophobicContact CH2-CB 3.78Å; W470-R536 HydrophobicContact CZ3-CB 3.52Å |
| 471 | K | 85.8 | Confident | 79.1 | Confident | 37 Ų | 37 | 70.6 Ų | 70.6 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.6 | 173.8 | -177.2 | 164.5 | -172.2 | -178.8 | 0 | 110.6 | S461 I462 L464 D488 E490 | S461-K471 CarbonylContact C-O 3.42Å; S461-K471 VanDerWaalsContact CA-O 3.23Å; S461-K471 WeakPolarHBondContact CA-O 3.35Å; I462-K471 HydrophobicContact CG2-CB 4.24Å; I462-K471 PolarHBondContact N-O 3.36Å; I462-K471 PolarHBondContact O-N 2.79Å; L464-K471 HydrophobicContact CD1-CB 3.84Å; L464-K471 HydrophobicContact CD1-CD 4Å; L464-K471 HydrophobicContact CG-CB 4.28Å; K471-D488 VanDerWaalsContact CE-CG 3.41Å; K471-D488 WeakPolarHBondContact CE-OD1 3.33Å; K471-D488 VanDerWaalsContact CE-OD2 3.31Å; K471-D488 WeakPolarHBondContact CE-OD2 3.26Å; K471-D488 IonicContact NZ-OD1 3.63Å; K471-D488 PolarHBondContact NZ-OD1 2.95Å; K471-D488 IonicContact NZ-OD2 2.77Å; K471-D488 PolarHBondContact NZ-OD2 3.22Å; K471-E490 IonicContact NZ-OE2 2.77Å; K471-E490 PolarHBondContact NZ-OE2 2.9Å |
| 472 | L | 85.3 | Confident | 78.6 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 44% | 0.44 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 130.4 | 177.6 | -166.2 | 69.4 | 0 | 0 | 0 | 110.7 | E459 E538 | E459-L472 HydrophobicContact CB-CD1 4.05Å; L472-E538 HydrophobicContact CD1-CB 3.78Å; L472-E538 HydrophobicContact CD1-CG 3.74Å |
| 473 | C | 83.3 | Confident | 78.3 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.4 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 109.1 | L460 L486 | L460-C473 PolarHBondContact N-O 3.2Å; L460-C473 CarbonylContact O-C 3.51Å; L460-C473 WeakPolarHBondContact O-CA 3.42Å; L460-C473 PolarHBondContact O-N 2.89Å; C473-L486 HydrophobicContact CB-CB 4.36Å; C473-L486 HydrophobicContact CB-CD2 4.43Å |
| 474 | Y | 82.4 | Confident | 78.2 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 28% | 0.275 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.1 | 168.8 | -176.6 | -101.9 | 0 | 0 | 0 | 109.3 | H457 E459 I487 | H457-Y474 VanDerWaalsContact CG-OH 3.32Å; H457-Y474 AromaticContact ND1-CZ 3.83Å; H457-Y474 PolarHBondContact ND1-OH 3.41Å; E459-Y474 HydrophobicContact CG-CD2 4.46Å; Y474-I487 HydrophobicContact CD1-CD1 4.48Å; Y474-I487 PolarHBondContact N-O 3.06Å; Y474-I487 WeakPolarHBondContact O-CB 3.38Å; Y474-I487 PolarHBondContact O-N 2.91Å |
| 475 | A | 84.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H457 G458 L460 L484 T485 L486 W649 | H457-A475 CarbonylContact C-O 3.52Å; H457-A475 WeakPolarHBondContact CA-O 3.44Å; H457-A475 VanDerWaalsContact CB-O 3.31Å; H457-A475 WeakPolarHBondContact CB-O 3.38Å; G458-A475 PolarHBondContact N-O 2.83Å; G458-A475 PolarHBondContact O-N 2.87Å; L460-A475 HydrophobicContact CB-CB 4.14Å; L460-A475 HydrophobicContact CD1-CB 3.52Å; L460-A475 HydrophobicContact CG-CB 3.63Å; A475-L484 HydrophobicContact CB-CD1 4.25Å; A475-T485 CarbonylContact C-O 3.51Å; A475-T485 WeakPolarHBondContact CA-O 3.43Å; A475-L486 HydrophobicContact CB-CD2 3.46Å; A475-L486 VanDerWaalsContact CB-CD2 3.46Å; A475-W649 HydrophobicContact CB-CH2 3.56Å; A475-W649 HydrophobicContact CB-CZ2 3.81Å |
| 476 | H | 79 | Confident | 78.9 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 6% | 0.06 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 139 | 166 | 111.5 | -125.5 | 0 | 0 | 0 | 111.2 | T454 I456 H457 T485 | T454-H476 HydrophobicContact CG2-CB 4.4Å; T454-H476 VanDerWaalsContact CG2-CD2 3.42Å; T454-H476 WeakPolarHBondContact CG2-CD2 3.14Å; I456-H476 WeakPolarHBondContact O-CA 3.5Å; H457-H476 HydrophobicContact CB-CB 4.12Å; H476-T485 PolarHBondContact N-O 2.87Å; H476-T485 PolarHBondContact O-N 2.93Å |
| 477 | L | 79.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.5 | 175.8 | 174.2 | 56.2 | 0 | 0 | 0 | 110.2 | T454 E455 I456 L499 W649 L653 | T454-L477 WeakPolarHBondContact CA-O 3.43Å; E455-L477 HydrophobicContact CB-CD2 4.48Å; E455-L477 HydrophobicContact CB-CG 4.36Å; E455-L477 PolarHBondContact N-O 3.11Å; I456-L477 HydrophobicContact CB-CB 4.41Å; I456-L477 PolarHBondContact O-N 3.49Å; L477-L499 HydrophobicContact CD1-CD1 3.43Å; L477-L499 VanDerWaalsContact CD1-CD1 3.43Å; L477-W649 HydrophobicContact CB-CZ3 4.33Å; L477-L653 HydrophobicContact CD2-CD2 4.4Å |
| 478 | D | 71.4 | Confident | 79.5 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 110.1 | 171.8 | -173.1 | -27.8 | 0 | 0 | 0 | 109.5 | S452 K480 Q481 S482 I483 | S452-D478 WeakPolarHBondContact CA-OD2 3.31Å; S452-D478 WeakPolarHBondContact CB-OD2 3.48Å; D478-K480 PolarHBondContact O-N 3.17Å; D478-K480 WeakPolarHBondContact OD1-CA 3.4Å; D478-K480 WeakPolarHBondContact OD1-CB 3.38Å; D478-K480 PolarHBondContact OD1-N 3.14Å; D478-Q481 HydrophobicContact CB-CB 4.38Å; D478-Q481 PolarHBondContact OD1-N 2.81Å; D478-Q481 VanDerWaalsContact OD1-N 3.13Å; D478-S482 WeakPolarHBondContact O-CA 3.43Å; D478-S482 PolarHBondContact O-N 2.84Å; D478-I483 PolarHBondContact N-O 2.96Å; D478-I483 PolarHBondContact O-N 3.17Å |
| 479 | R | 65.4 | Low | 78.9 | Confident | 90 Ų | 90 | 41.6 Ų | 41.6 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.7 | 178.7 | -176.5 | 166.8 | 170.2 | 154.1 | 1.1 | 112.6 | V453 E455 H656 E732 | V453-R479 WeakPolarHBondContact O-CB 3.49Å; V453-R479 PolarHBondContact O-N 2.98Å; E455-R479 HydrophobicContact CB-CB 4.07Å; E455-R479 HydrophobicContact CG-CB 4.24Å; E455-R479 WeakPolarHBondContact OE2-CB 3.49Å; E455-R479 VanDerWaalsContact OE2-CD 3.31Å; E455-R479 WeakPolarHBondContact OE2-CD 3.17Å; E455-R479 WeakPolarHBondContact OE2-CG 3.38Å; R479-H656 PolarHBondContact O-CE1 2.69Å; R479-H656 VanDerWaalsContact O-CE1 3.25Å; R479-E732 IonicContact CZ-OE2 2.77Å; R479-E732 VanDerWaalsContact CZ-OE2 3.3Å; R479-E732 IonicContact NH1-OE2 3.93Å; R479-E732 PolarHBondContact NH1-OE2 2.92Å; R479-E732 IonicContact NH2-OE2 3.18Å; R479-E732 PolarHBondContact NH2-OE2 2.88Å |
| 480 | K | 58.9 | Low | 78.1 | Confident | 109 Ų | 109 | 42 Ų | 42 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -27.4 | -168.7 | -155 | 176.8 | -171.2 | 175.8 | 0 | 112.2 | Q451 D478 | Q451-K480 VanDerWaalsContact O-CD 3.23Å; Q451-K480 WeakPolarHBondContact O-CD 3.44Å; D478-K480 PolarHBondContact O-N 3.17Å; D478-K480 WeakPolarHBondContact OD1-CA 3.4Å; D478-K480 WeakPolarHBondContact OD1-CB 3.38Å; D478-K480 PolarHBondContact OD1-N 3.14Å |
| 481 | Q | 67.7 | Low | 77 | Confident | 78 Ų | 78 | 44 Ų | 44 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -14.6 | 170.3 | -60 | -154 | -30.6 | 0 | 0 | 113.6 | D478 I483 | D478-Q481 HydrophobicContact CB-CB 4.38Å; D478-Q481 PolarHBondContact OD1-N 2.81Å; D478-Q481 VanDerWaalsContact OD1-N 3.13Å; Q481-I483 VanDerWaalsContact C-N 3.32Å; Q481-I483 HydrophobicContact CB-CB 4.36Å; Q481-I483 HydrophobicContact CB-CD1 3.87Å; Q481-I483 HydrophobicContact CB-CG1 3.97Å |
| 482 | S | 73.8 | Confident | 75.5 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 41.4 | -173.7 | -145.1 | 0 | 0 | 0 | 0 | 111.3 | D478 L499 H656 | D478-S482 WeakPolarHBondContact O-CA 3.43Å; D478-S482 PolarHBondContact O-N 2.84Å; S482-L499 WeakPolarHBondContact O-CB 3.46Å; S482-L499 PolarHBondContact O-N 3.12Å; S482-H656 VanDerWaalsContact OG-CB 3.3Å; S482-H656 WeakPolarHBondContact OG-CB 3.19Å; S482-H656 PolarHBondContact OG-ND1 2.64Å; S482-H656 PolarHBondContact OG-O 3.12Å |
| 483 | I | 83.1 | Confident | 74.7 | Confident | 31 Ų | 31 | 59 Ų | 59 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127 | -175.1 | -65.9 | 177 | 0 | 0 | 0 | 110.7 | D478 Q481 R496 F497 | D478-I483 PolarHBondContact N-O 2.96Å; D478-I483 PolarHBondContact O-N 3.17Å; Q481-I483 VanDerWaalsContact C-N 3.32Å; Q481-I483 HydrophobicContact CB-CB 4.36Å; Q481-I483 HydrophobicContact CB-CD1 3.87Å; Q481-I483 HydrophobicContact CB-CG1 3.97Å; I483-R496 HydrophobicContact CG2-CB 4.1Å; I483-R496 HydrophobicContact CG2-CG 4.15Å; I483-F497 WeakPolarHBondContact CA-O 3.37Å |
| 484 | L | 85.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 116.5 | 164.2 | 175.4 | 63.4 | 0 | 0 | 0 | 109.4 | A475 L486 R496 F497 L499 L520 L535 W649 L653 | A475-L484 HydrophobicContact CB-CD1 4.25Å; L484-L486 HydrophobicContact CD1-CD2 4.43Å; L484-L486 HydrophobicContact CG-CD2 4.48Å; L484-R496 WeakPolarHBondContact O-CA 3.41Å; L484-F497 HydrophobicContact CB-CB 4.34Å; L484-F497 HydrophobicContact CD2-CD2 4.27Å; L484-F497 HydrophobicContact CG-CD2 4.3Å; L484-F497 PolarHBondContact N-O 3.49Å; L484-F497 PolarHBondContact O-N 3.08Å; L484-L499 HydrophobicContact CB-CD1 4.33Å; L484-L499 HydrophobicContact CB-CD2 4.1Å; L484-L499 HydrophobicContact CB-CG 4.33Å; L484-L520 HydrophobicContact CD2-CD1 3.64Å; L484-L535 HydrophobicContact CD2-CD2 4.27Å; L484-W649 HydrophobicContact CD1-CH2 3.98Å; L484-W649 HydrophobicContact CD1-CZ3 3.78Å; L484-L653 HydrophobicContact CD2-CD2 4.18Å |
| 485 | T | 86 | Confident | 74.4 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.3 | 171.2 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | A475 H476 I487 P494 E495 R496 | A475-T485 CarbonylContact C-O 3.51Å; A475-T485 WeakPolarHBondContact CA-O 3.43Å; H476-T485 PolarHBondContact N-O 2.87Å; H476-T485 PolarHBondContact O-N 2.93Å; T485-I487 HydrophobicContact CG2-CG1 4.1Å; T485-P494 HydrophobicContact CG2-CB 3.85Å; T485-P494 HydrophobicContact CG2-CG 4.43Å; T485-E495 CarbonylContact C-O 3.5Å; T485-E495 WeakPolarHBondContact CA-O 3.44Å; T485-R496 HydrophobicContact CG2-CG 4.03Å; T485-R496 PolarHBondContact OG1-NE 3.28Å |
| 486 | L | 86.6 | Confident | 74.4 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.9 | 167 | -66.1 | -170.8 | 0 | 0 | 0 | 110.8 | L460 I462 C473 A475 L484 P494 E495 F497 L535 | L460-L486 HydrophobicContact CD1-CD2 4.21Å; I462-L486 HydrophobicContact CD1-CD1 3.78Å; C473-L486 HydrophobicContact CB-CB 4.36Å; C473-L486 HydrophobicContact CB-CD2 4.43Å; A475-L486 HydrophobicContact CB-CD2 3.46Å; A475-L486 VanDerWaalsContact CB-CD2 3.46Å; L484-L486 HydrophobicContact CD1-CD2 4.43Å; L484-L486 HydrophobicContact CG-CD2 4.48Å; L486-P494 CarbonylContact O-C 3.57Å; L486-P494 WeakPolarHBondContact O-CA 3.3Å; L486-P494 WeakPolarHBondContact O-CB 3.42Å; L486-E495 HydrophobicContact CB-CB 4.47Å; L486-E495 PolarHBondContact N-O 2.88Å; L486-E495 PolarHBondContact O-N 3.38Å; L486-F497 HydrophobicContact CB-CE2 4.36Å; L486-F497 HydrophobicContact CD1-CE2 3.73Å; L486-F497 HydrophobicContact CD1-CZ 4.48Å; L486-F497 HydrophobicContact CG-CD2 4.42Å; L486-F497 HydrophobicContact CG-CE2 3.82Å; L486-L535 HydrophobicContact CD1-CD2 4Å; L486-L535 HydrophobicContact CD2-CD2 4.36Å |
| 487 | I | 81.9 | Confident | 74.7 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 109.6 | 178.4 | -48.2 | -174.3 | 0 | 0 | 0 | 108.6 | Y474 T485 P494 | Y474-I487 HydrophobicContact CD1-CD1 4.48Å; Y474-I487 PolarHBondContact N-O 3.06Å; Y474-I487 WeakPolarHBondContact O-CB 3.38Å; Y474-I487 PolarHBondContact O-N 2.91Å; T485-I487 HydrophobicContact CG2-CG1 4.1Å; I487-P494 HydrophobicContact CG1-CB 4.14Å |
| 488 | D | 80.3 | Confident | 74.9 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.032 | 34% | 0.339 | C | S | . | . | trans | -93.7 | 123.5 | 176.1 | 169.1 | -1.9 | 0 | 0 | 0 | 109.5 | K471 E490 K491 | K471-D488 VanDerWaalsContact CE-CG 3.41Å; K471-D488 WeakPolarHBondContact CE-OD1 3.33Å; K471-D488 VanDerWaalsContact CE-OD2 3.31Å; K471-D488 WeakPolarHBondContact CE-OD2 3.26Å; K471-D488 IonicContact NZ-OD1 3.63Å; K471-D488 PolarHBondContact NZ-OD1 2.95Å; K471-D488 IonicContact NZ-OD2 2.77Å; K471-D488 PolarHBondContact NZ-OD2 3.22Å; D488-E490 PolarHBondContact O-N 3Å; D488-E490 VanDerWaalsContact O-N 3.15Å; D488-E490 WeakPolarHBondContact OD1-CB 3.07Å; D488-E490 PolarHBondContact OD1-N 3.2Å; D488-K491 HydrophobicContact CB-CB 4.06Å; D488-K491 HydrophobicContact CB-CD 4.08Å; D488-K491 HydrophobicContact CB-CG 4.25Å; D488-K491 PolarHBondContact O-N 3.32Å; D488-K491 VanDerWaalsContact O-N 3.16Å; D488-K491 WeakPolarHBondContact OD2-CD 3.33Å; D488-K491 WeakPolarHBondContact OD2-CE 3.37Å; D488-K491 WeakPolarHBondContact OD2-CG 3.46Å; D488-K491 IonicContact OD2-NZ 3Å | ||
| 489 | G | 68.8 | Low | 75.3 | Confident | 85 Ų | 85 | 71 Ų | 71 | 88% | 0.876 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 490 | E | 66.7 | Low | 75.5 | Confident | 154 Ų | 154 | 68 Ų | 68 | 72% | 0.72 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -25.3 | 175.5 | -57.9 | -179.3 | 154.7 | 0 | 0 | 112.9 | K471 D488 | K471-E490 IonicContact NZ-OE2 2.77Å; K471-E490 PolarHBondContact NZ-OE2 2.9Å; D488-E490 PolarHBondContact O-N 3Å; D488-E490 VanDerWaalsContact O-N 3.15Å; D488-E490 WeakPolarHBondContact OD1-CB 3.07Å; D488-E490 PolarHBondContact OD1-N 3.2Å |
| 491 | K | 60.8 | Low | 76.3 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 39% | 0.391 | 33% | 0.331 | S | S | . | . | trans | -91.2 | 136.1 | -177 | -74 | 173.6 | -166.7 | 174.1 | 0 | 111.5 | D488 K493 E495 | D488-K491 HydrophobicContact CB-CB 4.06Å; D488-K491 HydrophobicContact CB-CD 4.08Å; D488-K491 HydrophobicContact CB-CG 4.25Å; D488-K491 PolarHBondContact O-N 3.32Å; D488-K491 VanDerWaalsContact O-N 3.16Å; D488-K491 WeakPolarHBondContact OD2-CD 3.33Å; D488-K491 WeakPolarHBondContact OD2-CE 3.37Å; D488-K491 WeakPolarHBondContact OD2-CG 3.46Å; D488-K491 IonicContact OD2-NZ 3Å; K491-K493 PolarHBondContact O-N 3.22Å; K491-E495 IonicContact NZ-OE1 3.68Å; K491-E495 PolarHBondContact NZ-OE1 3.47Å; K491-E495 IonicContact NZ-OE2 2.69Å; K491-E495 PolarHBondContact NZ-OE2 2.87Å | ||
| 492 | R | 53.5 | Low | 76.6 | Confident | 261 Ų | 261 | 64.5 Ų | 64.5 | 99% | 0.985 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -74.4 | -9 | 174.3 | -69.5 | -176.9 | -179.3 | 160.3 | 1.4 | 114.7 | ||
| 493 | K | 68.5 | Low | 76.2 | Confident | 176 Ų | 176 | 64.4 Ų | 64.4 | 77% | 0.765 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -126 | 130.5 | 178.6 | -114 | -174 | 175.5 | -173.4 | 0 | 107.9 | K491 | K491-K493 PolarHBondContact O-N 3.22Š|
| 494 | P | 77.9 | Confident | 75.9 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 41% | 0.409 | 31% | 0.307 | S | S | . | . | trans | -72.6 | 150.1 | 169 | 32.9 | -34.8 | 0 | 0 | 0 | 110.2 | T485 L486 I487 | T485-P494 HydrophobicContact CG2-CB 3.85Å; T485-P494 HydrophobicContact CG2-CG 4.43Å; L486-P494 CarbonylContact O-C 3.57Å; L486-P494 WeakPolarHBondContact O-CA 3.3Å; L486-P494 WeakPolarHBondContact O-CB 3.42Å; I487-P494 HydrophobicContact CG1-CB 4.14Å | ||
| 495 | E | 83.1 | Confident | 75.1 | Confident | 73 Ų | 73 | 66 Ų | 66 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 146.6 | 169.9 | -85.7 | 150.2 | 178.9 | 0 | 0 | 109.7 | T485 L486 K491 F497 | T485-E495 CarbonylContact C-O 3.5Å; T485-E495 WeakPolarHBondContact CA-O 3.44Å; L486-E495 HydrophobicContact CB-CB 4.47Å; L486-E495 PolarHBondContact N-O 2.88Å; L486-E495 PolarHBondContact O-N 3.38Å; K491-E495 IonicContact NZ-OE1 3.68Å; K491-E495 PolarHBondContact NZ-OE1 3.47Å; K491-E495 IonicContact NZ-OE2 2.69Å; K491-E495 PolarHBondContact NZ-OE2 2.87Å; E495-F497 HydrophobicContact CB-CE2 4.16Å; E495-F497 HydrophobicContact CB-CZ 4.07Å |
| 496 | R | 85.1 | Confident | 74 | Confident | 156 Ų | 156 | 68.2 Ų | 68.2 | 59% | 0.589 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 124.5 | -176.1 | -79.6 | -173.6 | 166.9 | -178.1 | -3 | 110.1 | I483 L484 T485 | I483-R496 HydrophobicContact CG2-CB 4.1Å; I483-R496 HydrophobicContact CG2-CG 4.15Å; L484-R496 WeakPolarHBondContact O-CA 3.41Å; T485-R496 HydrophobicContact CG2-CG 4.03Å; T485-R496 PolarHBondContact OG1-NE 3.28Å |
| 497 | F | 84.3 | Confident | 73 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.6 | -178.9 | -53.1 | -73.1 | 0 | 0 | 0 | 108.4 | I483 L484 L486 E495 L499 L522 F533 | I483-F497 WeakPolarHBondContact CA-O 3.37Å; L484-F497 HydrophobicContact CB-CB 4.34Å; L484-F497 HydrophobicContact CD2-CD2 4.27Å; L484-F497 HydrophobicContact CG-CD2 4.3Å; L484-F497 PolarHBondContact N-O 3.49Å; L484-F497 PolarHBondContact O-N 3.08Å; L486-F497 HydrophobicContact CB-CE2 4.36Å; L486-F497 HydrophobicContact CD1-CE2 3.73Å; L486-F497 HydrophobicContact CD1-CZ 4.48Å; L486-F497 HydrophobicContact CG-CD2 4.42Å; L486-F497 HydrophobicContact CG-CE2 3.82Å; E495-F497 HydrophobicContact CB-CE2 4.16Å; E495-F497 HydrophobicContact CB-CZ 4.07Å; F497-L499 PolarHBondContact O-N 3.36Å; F497-L522 HydrophobicContact CB-CD1 4.14Å; F497-L522 HydrophobicContact CD1-CD1 3.46Å; F497-L522 VanDerWaalsContact CD1-CD1 3.46Å; F497-L522 HydrophobicContact CD1-CD2 3.72Å; F497-L522 HydrophobicContact CD1-CG 4.22Å; F497-L522 HydrophobicContact CE1-CD1 4.24Å; F497-L522 HydrophobicContact CE1-CD2 4.41Å; F497-L522 HydrophobicContact CG-CD1 4.13Å; F497-F533 HydrophobicContact CD1-CD2 4.45Å; F497-F533 HydrophobicContact CD1-CE2 4.25Å; F497-F533 AromaticContact CE1-CD2 3.95Å; F497-F533 HydrophobicContact CE1-CD2 3.95Å; F497-F533 HydrophobicContact CE1-CE1 4.25Å; F497-F533 AromaticContact CE1-CE2 3.63Å; F497-F533 HydrophobicContact CE1-CE2 3.63Å; F497-F533 HydrophobicContact CE1-CG 4.38Å; F497-F533 AromaticContact CE1-CZ 3.78Å; F497-F533 HydrophobicContact CE1-CZ 3.78Å; F497-F533 HydrophobicContact CZ-CE1 4.41Å; F497-F533 HydrophobicContact CZ-CE2 4.47Å; F497-F533 HydrophobicContact CZ-CZ 4.38Å |
| 498 | D | 83.4 | Confident | 72.1 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 100.8 | 174.2 | 175.4 | -4.4 | 0 | 0 | 0 | 107.9 | S500 K501 C502 | D498-S500 PolarHBondContact O-N 3.12Å; D498-S500 WeakPolarHBondContact OD1-CB 3.48Å; D498-S500 PolarHBondContact OD1-N 3.42Å; D498-S500 PolarHBondContact OD1-OG 3Å; D498-K501 HydrophobicContact CB-CD 4.41Å; D498-K501 CarbonylContact O-C 3.57Å; D498-K501 WeakPolarHBondContact O-CA 3.34Å; D498-K501 PolarHBondContact O-N 3.2Å; D498-K501 WeakPolarHBondContact OD2-CD 3.41Å; D498-K501 WeakPolarHBondContact OD2-CE 3.15Å; D498-K501 IonicContact OD2-NZ 3.77Å; D498-K501 PolarHBondContact OD2-NZ 3.4Å; D498-C502 PolarHBondContact O-N 3.46Å; D498-C502 PolarHBondContact O-SG 3.29Å |
| 499 | L | 79.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -66.2 | -22.8 | -172.6 | -61.5 | 176.8 | 0 | 0 | 0 | 112.1 | L477 S482 L484 F497 K501 C502 L520 L653 H656 C657 | L477-L499 HydrophobicContact CD1-CD1 3.43Å; L477-L499 VanDerWaalsContact CD1-CD1 3.43Å; S482-L499 WeakPolarHBondContact O-CB 3.46Å; S482-L499 PolarHBondContact O-N 3.12Å; L484-L499 HydrophobicContact CB-CD1 4.33Å; L484-L499 HydrophobicContact CB-CD2 4.1Å; L484-L499 HydrophobicContact CB-CG 4.33Å; F497-L499 PolarHBondContact O-N 3.36Å; L499-K501 PolarHBondContact O-N 2.99Å; L499-C502 HydrophobicContact CD2-CB 4.12Å; L499-C502 PolarHBondContact O-N 3.36Å; L499-C502 VanDerWaalsContact O-O 3.12Å; L499-L520 HydrophobicContact CD2-CD1 4.21Å; L499-L520 HydrophobicContact CD2-CD2 4.26Å; L499-L653 HydrophobicContact CD1-CD2 3.67Å; L499-L653 HydrophobicContact CD2-CD2 4.12Å; L499-H656 CarbonylContact C-O 3.54Å; L499-H656 VanDerWaalsContact C-O 3.22Å; L499-H656 HydrophobicContact CB-CB 3.91Å; L499-H656 WeakPolarHBondContact CB-O 3.41Å; L499-H656 HydrophobicContact CD1-CB 3.65Å; L499-H656 HydrophobicContact CG-CB 4.46Å; L499-C657 WeakPolarHBondContact O-CA 3.45Å |
| 500 | S | 69.9 | Low | 70.7 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -65.1 | -10.7 | 171 | 78.9 | 0 | 0 | 0 | 0 | 113.9 | D498 | D498-S500 PolarHBondContact O-N 3.12Å; D498-S500 WeakPolarHBondContact OD1-CB 3.48Å; D498-S500 PolarHBondContact OD1-N 3.42Å; D498-S500 PolarHBondContact OD1-OG 3Å |
| 501 | K | 75 | Confident | 70.7 | Confident | 112 Ų | 112 | 72 Ų | 72 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -118.4 | 15.1 | 171.9 | -57.3 | 176.2 | -173.6 | 141.1 | 0 | 112.8 | D498 L499 Y523 | D498-K501 HydrophobicContact CB-CD 4.41Å; D498-K501 CarbonylContact O-C 3.57Å; D498-K501 WeakPolarHBondContact O-CA 3.34Å; D498-K501 PolarHBondContact O-N 3.2Å; D498-K501 WeakPolarHBondContact OD2-CD 3.41Å; D498-K501 WeakPolarHBondContact OD2-CE 3.15Å; D498-K501 IonicContact OD2-NZ 3.77Å; D498-K501 PolarHBondContact OD2-NZ 3.4Å; L499-K501 PolarHBondContact O-N 2.99Å; K501-Y523 WeakPolarHBondContact O-CD2 3.3Å; K501-Y523 PolarHBondContact O-N 2.82Å; K501-Y523 VanDerWaalsContact O-N 3.14Å |
| 502 | C | 74.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 153.3 | 174.2 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | D498 L499 L520 V521 L522 C657 R658 | D498-C502 PolarHBondContact O-N 3.46Å; D498-C502 PolarHBondContact O-SG 3.29Å; L499-C502 HydrophobicContact CD2-CB 4.12Å; L499-C502 PolarHBondContact O-N 3.36Å; L499-C502 VanDerWaalsContact O-O 3.12Å; C502-L520 HydrophobicContact CB-CD2 4.43Å; C502-V521 CarbonylContact C-O 3.51Å; C502-V521 WeakPolarHBondContact CA-O 3.36Å; C502-L522 WeakPolarHBondContact SG-CD1 3.33Å; C502-C657 WeakPolarHBondContact O-CB 3.35Å; C502-R658 WeakPolarHBondContact O-CB 3.39Å; C502-R658 PolarHBondContact O-N 2.84Å |
| 503 | D | 66.6 | Low | 72.4 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.9 | 158.9 | -77.8 | -53.1 | 0 | 0 | 0 | 111.9 | L520 V521 Y523 N659 | D503-L520 CarbonylContact O-C 3.57Å; D503-L520 VanDerWaalsContact O-CA 3.31Å; D503-L520 WeakPolarHBondContact O-CA 3.47Å; D503-V521 PolarHBondContact N-O 3.05Å; D503-V521 PolarHBondContact O-N 3.13Å; D503-Y523 HydrophobicContact CB-CE2 4.38Å; D503-Y523 WeakPolarHBondContact CB-OH 3.23Å; D503-Y523 VanDerWaalsContact OD2-CE2 3.23Å; D503-Y523 WeakPolarHBondContact OD2-CE2 3.18Å; D503-Y523 PolarHBondContact OD2-OH 2.81Å; D503-N659 WeakPolarHBondContact OD1-CB 3.27Å; D503-N659 PolarHBondContact OD1-N 3.49Å; D503-N659 VanDerWaalsContact OD1-N 3.09Å; D503-N659 PolarHBondContact OD1-ND2 2.81Å; D503-N659 PolarHBondContact OD2-ND2 2.99Å; D503-N659 VanDerWaalsContact OD2-ND2 3.16Å |
| 504 | F | 76.5 | Confident | 72.5 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.9 | 179 | 171.2 | -84.8 | 0 | 0 | 0 | 111 | P506 F518 V650 L653 K654 C657 | F504-P506 HydrophobicContact CE1-CB 4.21Å; F504-P506 HydrophobicContact CZ-CB 4.43Å; F504-F518 HydrophobicContact CD2-CD2 4.48Å; F504-F518 HydrophobicContact CE2-CB 3.66Å; F504-F518 HydrophobicContact CE2-CD2 4.02Å; F504-F518 HydrophobicContact CE2-CG 4.05Å; F504-F518 HydrophobicContact CZ-CB 4Å; F504-V650 HydrophobicContact CE1-CG1 3.93Å; F504-V650 HydrophobicContact CE2-CB 4.22Å; F504-V650 HydrophobicContact CE2-CG1 4.04Å; F504-V650 HydrophobicContact CE2-CG2 3.86Å; F504-V650 HydrophobicContact CZ-CB 4.04Å; F504-V650 HydrophobicContact CZ-CG1 3.48Å; F504-V650 VanDerWaalsContact CZ-CG1 3.48Å; F504-V650 HydrophobicContact CZ-CG2 3.68Å; F504-L653 HydrophobicContact CD2-CB 4.33Å; F504-K654 HydrophobicContact CB-CG 4.25Å; F504-K654 HydrophobicContact CD1-CD 4.29Å; F504-K654 HydrophobicContact CD1-CG 3.53Å; F504-K654 HydrophobicContact CD2-CG 4.48Å; F504-K654 HydrophobicContact CE1-CD 4.47Å; F504-K654 HydrophobicContact CE1-CG 4.05Å; F504-K654 HydrophobicContact CG-CG 3.81Å; F504-C657 HydrophobicContact CB-CB 4.28Å |
| 505 | F | 69.2 | Low | 72.3 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 23% | 0.228 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.9 | 167.1 | 62.7 | -83.3 | 0 | 0 | 0 | 112.9 | I507 G519 V521 | F505-I507 HydrophobicContact CD2-CD1 4.29Å; F505-I507 HydrophobicContact CD2-CG1 3.87Å; F505-I507 HydrophobicContact CE2-CD1 3.78Å; F505-I507 HydrophobicContact CE2-CG1 3.83Å; F505-G519 VanDerWaalsContact CE1-CA 3.49Å; F505-G519 PolarHBondContact N-O 3.37Å; F505-G519 PolarHBondContact O-N 3Å; F505-V521 HydrophobicContact CD1-CG2 3.79Å; F505-V521 HydrophobicContact CE1-CG2 3.56Å |
| 506 | P | 62.4 | Low | 72.2 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 143.8 | 176.1 | 32.4 | -33.7 | 0 | 0 | 0 | 110.8 | F504 | F504-P506 HydrophobicContact CE1-CB 4.21Å; F504-P506 HydrophobicContact CZ-CB 4.43Å |
| 507 | I | 65.4 | Low | 72.1 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | trans | -118.4 | 126.3 | 179.3 | -61.5 | 176.1 | 0 | 0 | 0 | 109.8 | F505 V511 Y512 C517 V534 | F505-I507 HydrophobicContact CD2-CD1 4.29Å; F505-I507 HydrophobicContact CD2-CG1 3.87Å; F505-I507 HydrophobicContact CE2-CD1 3.78Å; F505-I507 HydrophobicContact CE2-CG1 3.83Å; I507-V511 HydrophobicContact CG2-CB 3.97Å; I507-V511 HydrophobicContact CG2-CG1 4.4Å; I507-V511 HydrophobicContact CG2-CG2 4.17Å; I507-Y512 HydrophobicContact CG2-CD2 4Å; I507-Y512 HydrophobicContact CG2-CE2 4.08Å; I507-C517 HydrophobicContact CB-CB 4.02Å; I507-C517 HydrophobicContact CG2-CB 3.97Å; I507-V534 HydrophobicContact CD1-CB 4.13Å; I507-V534 HydrophobicContact CD1-CG1 3.67Å; I507-V534 HydrophobicContact CD1-CG2 3.6Å | ||
| 508 | H | 63.4 | Low | 72.1 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | trans | -72.1 | 142 | 178.5 | -165.6 | -106.5 | 0 | 0 | 0 | 111.1 | T510 V511 | H508-T510 PolarHBondContact ND1-OG1 3.41Å; H508-T510 PolarHBondContact O-N 2.92Å; H508-V511 HydrophobicContact CB-CG2 4.4Å; H508-V511 WeakPolarHBondContact O-CG2 3.45Å; H508-V511 PolarHBondContact O-N 3.34Å | ||
| 509 | Y | 58.7 | Low | 71.9 | Confident | 124 Ų | 124 | 48.4 Ų | 48.4 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -58.2 | -28.5 | -171.8 | 70.3 | -90.1 | 0 | 0 | 0 | 113.7 | V511 E513 K514 | Y509-V511 VanDerWaalsContact C-N 3.27Å; Y509-V511 PolarHBondContact O-N 3.27Å; Y509-E513 CarbonylContact O-C 3.45Å; Y509-E513 WeakPolarHBondContact O-CA 3.34Å; Y509-E513 PolarHBondContact O-N 3.4Å; Y509-E513 VanDerWaalsContact O-N 3.11Å; Y509-K514 WeakPolarHBondContact CA-O 3.19Å; Y509-K514 PolarHBondContact O-N 3.32Å |
| 510 | T | 60.1 | Low | 72.1 | Confident | 75 Ų | 75 | 48.4 Ų | 48.4 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -67.8 | -18.8 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | H508 Y512 | H508-T510 PolarHBondContact ND1-OG1 3.41Å; H508-T510 PolarHBondContact O-N 2.92Å; T510-Y512 VanDerWaalsContact C-N 3.33Å; T510-Y512 PolarHBondContact O-N 3.25Å |
| 511 | V | 68.1 | Low | 72.5 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -70.5 | -31.5 | -176.4 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | I507 H508 Y509 | I507-V511 HydrophobicContact CG2-CB 3.97Å; I507-V511 HydrophobicContact CG2-CG1 4.4Å; I507-V511 HydrophobicContact CG2-CG2 4.17Å; H508-V511 HydrophobicContact CB-CG2 4.4Å; H508-V511 WeakPolarHBondContact O-CG2 3.45Å; H508-V511 PolarHBondContact O-N 3.34Å; Y509-V511 VanDerWaalsContact C-N 3.27Å; Y509-V511 PolarHBondContact O-N 3.27Å |
| 512 | Y | 76.2 | Confident | 72.8 | Confident | 60 Ų | 60 | 44 Ų | 44 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 15.9 | -178.8 | -64.7 | -81.3 | 0 | 0 | 0 | 113.5 | W463 W470 I507 T510 K514 V534 | W463-Y512 HydrophobicContact CD2-CD1 4.42Å; W463-Y512 HydrophobicContact CD2-CE1 4.09Å; W463-Y512 AromaticContact CE2-CE1 3.89Å; W463-Y512 HydrophobicContact CG-CE1 4.16Å; W463-Y512 HydrophobicContact CZ2-CE1 4.4Å; W463-Y512 AromaticContact NE1-CE1 3.86Å; W470-Y512 HydrophobicContact CZ2-CD1 4.16Å; W470-Y512 AromaticContact CZ2-CG 3.95Å; W470-Y512 HydrophobicContact CZ2-CG 3.95Å; I507-Y512 HydrophobicContact CG2-CD2 4Å; I507-Y512 HydrophobicContact CG2-CE2 4.08Å; T510-Y512 VanDerWaalsContact C-N 3.33Å; T510-Y512 PolarHBondContact O-N 3.25Å; Y512-K514 WeakPolarHBondContact O-CB 3.36Å; Y512-K514 PolarHBondContact O-N 3.36Å; Y512-K514 VanDerWaalsContact O-N 3.17Å; Y512-V534 HydrophobicContact CD2-CG1 4.22Å; Y512-V534 HydrophobicContact CE2-CB 4.49Å; Y512-V534 HydrophobicContact CE2-CG1 3.72Å; Y512-V534 HydrophobicContact CE2-CG2 4.24Å |
| 513 | E | 73.6 | Confident | 72.6 | Confident | 150 Ų | 150 | 45.8 Ų | 45.8 | 70% | 0.701 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 36.7 | -172.9 | -60.7 | -179 | 161.9 | 0 | 0 | 112.6 | P2 Y509 | P2-E513 WeakPolarHBondContact CG-OE1 3.42Å; Y509-E513 CarbonylContact O-C 3.45Å; Y509-E513 WeakPolarHBondContact O-CA 3.34Å; Y509-E513 PolarHBondContact O-N 3.4Å; Y509-E513 VanDerWaalsContact O-N 3.11Å |
| 514 | K | 70.9 | Confident | 72.5 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | trans | -147.4 | 121.6 | -168.8 | -93.8 | 178.7 | 153.3 | -151.2 | 0 | 112.3 | W470 Y509 Y512 C517 E538 | W470-K514 VanDerWaalsContact CD1-NZ 3.33Å; W470-K514 HydrophobicContact CD2-CD 4.33Å; W470-K514 VanDerWaalsContact CG-NZ 3.3Å; W470-K514 HydrophobicContact CZ2-CD 3.83Å; Y509-K514 WeakPolarHBondContact CA-O 3.19Å; Y509-K514 PolarHBondContact O-N 3.32Å; Y512-K514 WeakPolarHBondContact O-CB 3.36Å; Y512-K514 PolarHBondContact O-N 3.36Å; Y512-K514 VanDerWaalsContact O-N 3.17Å; K514-C517 PolarHBondContact O-SG 3.13Å; K514-E538 IonicContact NZ-OE1 2.89Å; K514-E538 PolarHBondContact NZ-OE1 3.15Å | ||
| 515 | N | 71.7 | Confident | 71.3 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 157.5 | 171.8 | -59 | 17 | 0 | 0 | 0 | 111.5 | R536 | N515-R536 PolarHBondContact O-NE 3.09Š|
| 516 | Y | 81.6 | Confident | 70.2 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 31.4 | 172.3 | -39.5 | -54.8 | 0 | 0 | 0 | 115.4 | R536 V537 W642 Y646 | Y516-R536 WeakPolarHBondContact O-CA 3.39Å; Y516-V537 PolarHBondContact O-N 3.38Å; Y516-W642 HydrophobicContact CD2-CB 4.15Å; Y516-W642 HydrophobicContact CE1-CB 4.05Å; Y516-W642 HydrophobicContact CE2-CB 3.4Å; Y516-W642 AromaticContact CE2-CG 3.96Å; Y516-W642 HydrophobicContact CE2-CG 3.96Å; Y516-W642 WeakPolarHBondContact OH-CB 3.2Å; Y516-Y646 VanDerWaalsContact CA-CD2 3.49Å; Y516-Y646 HydrophobicContact CD1-CD1 4.26Å; Y516-Y646 HydrophobicContact CD1-CD2 4.33Å; Y516-Y646 AromaticContact CD1-CG 3.8Å; Y516-Y646 HydrophobicContact CD1-CG 3.8Å; Y516-Y646 HydrophobicContact CG-CG 4.38Å |
| 517 | C | 82.6 | Confident | 69.2 | Low | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 143.6 | 171.8 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | I507 K514 L535 Y646 | I507-C517 HydrophobicContact CB-CB 4.02Å; I507-C517 HydrophobicContact CG2-CB 3.97Å; K514-C517 PolarHBondContact O-SG 3.13Å; C517-L535 CarbonylContact C-O 3.57Å; C517-L535 VanDerWaalsContact CA-O 3.27Å; C517-L535 WeakPolarHBondContact CA-O 3.41Å; C517-Y646 WeakPolarHBondContact O-CE2 3.44Å; C517-Y646 PolarHBondContact O-OH 3.4Å |
| 518 | F | 84.6 | Confident | 68.4 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 162.9 | 172 | 61.9 | -92.9 | 0 | 0 | 0 | 110.4 | L460 F504 L535 V537 Y646 W649 V650 L653 | L460-F518 HydrophobicContact CD1-CZ 3.97Å; L460-F518 HydrophobicContact CD2-CE1 4.1Å; L460-F518 HydrophobicContact CD2-CZ 4.11Å; F504-F518 HydrophobicContact CD2-CD2 4.48Å; F504-F518 HydrophobicContact CE2-CB 3.66Å; F504-F518 HydrophobicContact CE2-CD2 4.02Å; F504-F518 HydrophobicContact CE2-CG 4.05Å; F504-F518 HydrophobicContact CZ-CB 4Å; F518-L535 HydrophobicContact CD2-CB 4.25Å; F518-L535 HydrophobicContact CD2-CD1 4.39Å; F518-L535 HydrophobicContact CE1-CB 4.25Å; F518-L535 HydrophobicContact CE2-CB 3.7Å; F518-L535 HydrophobicContact CE2-CD1 3.95Å; F518-L535 HydrophobicContact CE2-CD2 4.39Å; F518-L535 HydrophobicContact CE2-CG 4.23Å; F518-L535 HydrophobicContact CZ-CB 3.72Å; F518-L535 PolarHBondContact N-O 3.25Å; F518-L535 PolarHBondContact O-N 3.34Å; F518-V537 HydrophobicContact CE1-CG2 4.11Å; F518-Y646 HydrophobicContact CB-CE2 4.19Å; F518-Y646 HydrophobicContact CD1-CD2 4.4Å; F518-Y646 HydrophobicContact CD1-CE2 4.06Å; F518-W649 HydrophobicContact CE1-CB 4.48Å; F518-V650 HydrophobicContact CB-CG2 4.45Å; F518-L653 HydrophobicContact CD2-CD1 3.96Å; F518-L653 HydrophobicContact CE1-CD1 4.46Å; F518-L653 HydrophobicContact CE2-CD1 3.21Å; F518-L653 HydrophobicContact CZ-CD1 3.51Å |
| 519 | G | 79.7 | Confident | 68.4 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F505 F533 | F505-G519 VanDerWaalsContact CE1-CA 3.49Å; F505-G519 PolarHBondContact N-O 3.37Å; F505-G519 PolarHBondContact O-N 3Å; G519-F533 WeakPolarHBondContact CA-O 3.48Å |
| 520 | L | 83.9 | Confident | 68.7 | Low | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.7 | 166.6 | -69.3 | 172.2 | 0 | 0 | 0 | 108.7 | L484 L499 C502 D503 F533 L535 | L484-L520 HydrophobicContact CD2-CD1 3.64Å; L499-L520 HydrophobicContact CD2-CD1 4.21Å; L499-L520 HydrophobicContact CD2-CD2 4.26Å; C502-L520 HydrophobicContact CB-CD2 4.43Å; D503-L520 CarbonylContact O-C 3.57Å; D503-L520 VanDerWaalsContact O-CA 3.31Å; D503-L520 WeakPolarHBondContact O-CA 3.47Å; L520-F533 PolarHBondContact N-O 3.31Å; L520-F533 PolarHBondContact O-N 2.85Å; L520-L535 HydrophobicContact CB-CD1 4.32Å; L520-L535 HydrophobicContact CD1-CD1 3.95Å; L520-L535 HydrophobicContact CG-CD1 4.12Å |
| 521 | V | 79 | Confident | 69.6 | Low | 12 Ų | 12 | 59 Ų | 59 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.3 | 167.2 | -169.8 | 0 | 0 | 0 | 0 | 107.7 | C502 D503 F505 Y523 R530 E532 | C502-V521 CarbonylContact C-O 3.51Å; C502-V521 WeakPolarHBondContact CA-O 3.36Å; D503-V521 PolarHBondContact N-O 3.05Å; D503-V521 PolarHBondContact O-N 3.13Å; F505-V521 HydrophobicContact CD1-CG2 3.79Å; F505-V521 HydrophobicContact CE1-CG2 3.56Å; V521-Y523 HydrophobicContact CB-CE1 4.29Å; V521-Y523 HydrophobicContact CG1-CD1 4.4Å; V521-Y523 HydrophobicContact CG1-CE1 3.57Å; V521-R530 HydrophobicContact CG1-CB 4.43Å; V521-E532 HydrophobicContact CG1-CG 4.49Å; V521-E532 HydrophobicContact CG2-CG 4.36Å |
| 522 | L | 80.6 | Confident | 70.3 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 144.3 | 169.7 | -103.6 | 80.6 | 0 | 0 | 0 | 111.6 | F497 C502 R530 E531 F533 | F497-L522 HydrophobicContact CB-CD1 4.14Å; F497-L522 HydrophobicContact CD1-CD1 3.46Å; F497-L522 VanDerWaalsContact CD1-CD1 3.46Å; F497-L522 HydrophobicContact CD1-CD2 3.72Å; F497-L522 HydrophobicContact CD1-CG 4.22Å; F497-L522 HydrophobicContact CE1-CD1 4.24Å; F497-L522 HydrophobicContact CE1-CD2 4.41Å; F497-L522 HydrophobicContact CG-CD1 4.13Å; C502-L522 WeakPolarHBondContact SG-CD1 3.33Å; L522-R530 WeakPolarHBondContact O-CA 3.42Å; L522-E531 HydrophobicContact CB-CB 4.47Å; L522-E531 PolarHBondContact N-O 2.85Å; L522-E531 PolarHBondContact O-N 2.9Å; L522-F533 HydrophobicContact CB-CE2 4.34Å; L522-F533 HydrophobicContact CD1-CD2 3.86Å; L522-F533 HydrophobicContact CD1-CE2 3.91Å; L522-F533 HydrophobicContact CD2-CE2 4.47Å; L522-F533 HydrophobicContact CG-CE2 4.47Å |
| 523 | Y | 69.8 | Low | 70.7 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.5 | 168.3 | -49.5 | -55.9 | 0 | 0 | 0 | 110.8 | Y143 K501 D503 V521 R530 | Y143-Y523 HydrophobicContact CD2-CE1 4.31Å; Y143-Y523 WeakPolarHBondContact CE1-OH 3.41Å; Y143-Y523 HydrophobicContact CE2-CD1 4.17Å; Y143-Y523 AromaticContact CE2-CE1 3.32Å; Y143-Y523 HydrophobicContact CE2-CE1 3.32Å; Y143-Y523 AromaticContact CE2-CZ 3.53Å; Y143-Y523 WeakPolarHBondContact CE2-OH 3.46Å; Y143-Y523 AromaticContact CZ-CE1 3.53Å; Y143-Y523 AromaticContact CZ-CZ 3.54Å; Y143-Y523 WeakPolarHBondContact OH-CE1 3.47Å; Y143-Y523 PolarHBondContact OH-OH 2.84Å; Y143-Y523 VanDerWaalsContact OH-OH 3.06Å; K501-Y523 WeakPolarHBondContact O-CD2 3.3Å; K501-Y523 PolarHBondContact O-N 2.82Å; K501-Y523 VanDerWaalsContact O-N 3.14Å; D503-Y523 HydrophobicContact CB-CE2 4.38Å; D503-Y523 WeakPolarHBondContact CB-OH 3.23Å; D503-Y523 VanDerWaalsContact OD2-CE2 3.23Å; D503-Y523 WeakPolarHBondContact OD2-CE2 3.18Å; D503-Y523 PolarHBondContact OD2-OH 2.81Å; V521-Y523 HydrophobicContact CB-CE1 4.29Å; V521-Y523 HydrophobicContact CG1-CD1 4.4Å; V521-Y523 HydrophobicContact CG1-CE1 3.57Å; Y523-R530 HydrophobicContact CD1-CG 4.19Å; Y523-R530 HydrophobicContact CE1-CG 4.4Å |
| 524 | G | 65.9 | Low | 71.4 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | trans | -77.5 | -159.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D529 | G524-D529 PolarHBondContact N-O 3.22Š| ||
| 525 | A | 51 | Low | 72.2 | Confident | 113 Ų | 113 | 51.2 Ų | 51.2 | 93% | 0.934 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -84.1 | -12.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 526 | S | 46.4 | Very low | 73 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 53% | 0.531 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -123.7 | 148.9 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | G528 D529 | S526-G528 PolarHBondContact O-N 2.77Å; S526-G528 VanDerWaalsContact O-N 3.13Å; S526-D529 WeakPolarHBondContact O-CB 3.15Å; S526-D529 PolarHBondContact O-N 3.18Å |
| 527 | A | 41.2 | Very low | 73 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E140 | E140-A527 WeakPolarHBondContact O-CB 3.3Š|
| 528 | G | 47.6 | Very low | 72.5 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -18.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S526 R530 | S526-G528 PolarHBondContact O-N 2.77Å; S526-G528 VanDerWaalsContact O-N 3.13Å; G528-R530 VanDerWaalsContact C-N 3.35Å; G528-R530 PolarHBondContact O-N 3.12Å |
| 529 | D | 62.7 | Low | 70.9 | Confident | 97 Ų | 97 | 51.8 Ų | 51.8 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | trans | -78 | 85.7 | 173 | -76.3 | -30.7 | 0 | 0 | 0 | 109.3 | G524 S526 | G524-D529 PolarHBondContact N-O 3.22Å; S526-D529 WeakPolarHBondContact O-CB 3.15Å; S526-D529 PolarHBondContact O-N 3.18Å | ||
| 530 | R | 66.5 | Low | 69.2 | Low | 115 Ų | 115 | 56.1 Ų | 56.1 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.1 | 167.3 | -60.9 | -169.7 | -170 | -176.6 | 3.2 | 110.3 | Y143 V521 L522 Y523 G528 | Y143-R530 PolarHBondContact OH-NH1 3.38Å; V521-R530 HydrophobicContact CG1-CB 4.43Å; L522-R530 WeakPolarHBondContact O-CA 3.42Å; Y523-R530 HydrophobicContact CD1-CG 4.19Å; Y523-R530 HydrophobicContact CE1-CG 4.4Å; G528-R530 VanDerWaalsContact C-N 3.35Å; G528-R530 PolarHBondContact O-N 3.12Å |
| 531 | E | 77.6 | Confident | 66.8 | Low | 124 Ų | 124 | 60.7 Ų | 60.7 | 58% | 0.579 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.3 | 169.5 | -71 | -164.5 | 124.6 | 0 | 0 | 109.8 | L522 F533 | L522-E531 HydrophobicContact CB-CB 4.47Å; L522-E531 PolarHBondContact N-O 2.85Å; L522-E531 PolarHBondContact O-N 2.9Å; E531-F533 HydrophobicContact CB-CD2 4.36Å; E531-F533 HydrophobicContact CB-CE2 3.49Å; E531-F533 VanDerWaalsContact CB-CE2 3.49Å; E531-F533 HydrophobicContact CB-CZ 3.75Å; E531-F533 HydrophobicContact CG-CZ 4.45Å; E531-F533 WeakPolarHBondContact OE2-CZ 3.19Å |
| 532 | E | 82.6 | Confident | 64.3 | Low | 125 Ų | 125 | 65.6 Ų | 65.6 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.1 | 172.3 | -64.4 | -167.3 | 153.5 | 0 | 0 | 111.2 | V521 | V521-E532 HydrophobicContact CG1-CG 4.49Å; V521-E532 HydrophobicContact CG2-CG 4.36Å |
| 533 | F | 86.5 | Confident | 61.7 | Low | 40 Ų | 40 | 69.3 Ų | 69.3 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.5 | 175.1 | -61.9 | -77.8 | 0 | 0 | 0 | 109.8 | I462 F497 G519 L520 L522 E531 L535 | I462-F533 HydrophobicContact CD1-CB 4.29Å; I462-F533 HydrophobicContact CD1-CD1 3.79Å; I462-F533 HydrophobicContact CD1-CG 4.4Å; F497-F533 HydrophobicContact CD1-CD2 4.45Å; F497-F533 HydrophobicContact CD1-CE2 4.25Å; F497-F533 AromaticContact CE1-CD2 3.95Å; F497-F533 HydrophobicContact CE1-CD2 3.95Å; F497-F533 HydrophobicContact CE1-CE1 4.25Å; F497-F533 AromaticContact CE1-CE2 3.63Å; F497-F533 HydrophobicContact CE1-CE2 3.63Å; F497-F533 HydrophobicContact CE1-CG 4.38Å; F497-F533 AromaticContact CE1-CZ 3.78Å; F497-F533 HydrophobicContact CE1-CZ 3.78Å; F497-F533 HydrophobicContact CZ-CE1 4.41Å; F497-F533 HydrophobicContact CZ-CE2 4.47Å; F497-F533 HydrophobicContact CZ-CZ 4.38Å; G519-F533 WeakPolarHBondContact CA-O 3.48Å; L520-F533 PolarHBondContact N-O 3.31Å; L520-F533 PolarHBondContact O-N 2.85Å; L522-F533 HydrophobicContact CB-CE2 4.34Å; L522-F533 HydrophobicContact CD1-CD2 3.86Å; L522-F533 HydrophobicContact CD1-CE2 3.91Å; L522-F533 HydrophobicContact CD2-CE2 4.47Å; L522-F533 HydrophobicContact CG-CE2 4.47Å; E531-F533 HydrophobicContact CB-CD2 4.36Å; E531-F533 HydrophobicContact CB-CE2 3.49Å; E531-F533 VanDerWaalsContact CB-CE2 3.49Å; E531-F533 HydrophobicContact CB-CZ 3.75Å; E531-F533 HydrophobicContact CG-CZ 4.45Å; E531-F533 WeakPolarHBondContact OE2-CZ 3.19Å; F533-L535 HydrophobicContact CB-CD1 4.05Å; F533-L535 WeakPolarHBondContact O-CD1 3.36Å |
| 534 | V | 86.6 | Confident | 59.5 | Low | 11 Ų | 11 | 74.5 Ų | 74.5 | 7% | 0.067 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.1 | 170.3 | 170.5 | 0 | 0 | 0 | 0 | 109 | I462 W463 W470 I507 Y512 | I462-V534 WeakPolarHBondContact CA-O 3.33Å; W463-V534 HydrophobicContact CB-CB 3.98Å; W463-V534 HydrophobicContact CB-CG1 4.18Å; W463-V534 PolarHBondContact N-O 2.6Å; W470-V534 HydrophobicContact CH2-CG1 3.85Å; W470-V534 HydrophobicContact CZ3-CG1 4.39Å; I507-V534 HydrophobicContact CD1-CB 4.13Å; I507-V534 HydrophobicContact CD1-CG1 3.67Å; I507-V534 HydrophobicContact CD1-CG2 3.6Å; Y512-V534 HydrophobicContact CD2-CG1 4.22Å; Y512-V534 HydrophobicContact CE2-CB 4.49Å; Y512-V534 HydrophobicContact CE2-CG1 3.72Å; Y512-V534 HydrophobicContact CE2-CG2 4.24Å |
| 535 | L | 89.3 | Confident | 57.5 | Low | 2 Ų | 2 | 82.1 Ų | 82.1 | 1% | 0.01 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 159 | -179.8 | -56.5 | 94.5 | 0 | 0 | 0 | 110.1 | L460 S461 I462 L484 L486 C517 F518 L520 F533 | L460-L535 HydrophobicContact CD1-CD2 3.74Å; S461-L535 CarbonylContact O-C 3.51Å; S461-L535 WeakPolarHBondContact O-CA 3.39Å; I462-L535 HydrophobicContact CG1-CG 4.36Å; L484-L535 HydrophobicContact CD2-CD2 4.27Å; L486-L535 HydrophobicContact CD1-CD2 4Å; L486-L535 HydrophobicContact CD2-CD2 4.36Å; C517-L535 CarbonylContact C-O 3.57Å; C517-L535 VanDerWaalsContact CA-O 3.27Å; C517-L535 WeakPolarHBondContact CA-O 3.41Å; F518-L535 HydrophobicContact CD2-CB 4.25Å; F518-L535 HydrophobicContact CD2-CD1 4.39Å; F518-L535 HydrophobicContact CE1-CB 4.25Å; F518-L535 HydrophobicContact CE2-CB 3.7Å; F518-L535 HydrophobicContact CE2-CD1 3.95Å; F518-L535 HydrophobicContact CE2-CD2 4.39Å; F518-L535 HydrophobicContact CE2-CG 4.23Å; F518-L535 HydrophobicContact CZ-CB 3.72Å; F518-L535 PolarHBondContact N-O 3.25Å; F518-L535 PolarHBondContact O-N 3.34Å; L520-L535 HydrophobicContact CB-CD1 4.32Å; L520-L535 HydrophobicContact CD1-CD1 3.95Å; L520-L535 HydrophobicContact CG-CD1 4.12Å; F533-L535 HydrophobicContact CB-CD1 4.05Å; F533-L535 WeakPolarHBondContact O-CD1 3.36Å |
| 536 | R | 86.6 | Confident | 56.4 | Low | 43 Ų | 43 | 86.2 Ų | 86.2 | 16% | 0.162 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 137.5 | 176.5 | 175 | -179.9 | -173.5 | -112.4 | -4 | 110.6 | L460 S461 W470 N515 Y516 E538 | L460-R536 CarbonylContact C-O 3.48Å; L460-R536 WeakPolarHBondContact CA-O 3.22Å; S461-R536 PolarHBondContact N-O 3.16Å; S461-R536 PolarHBondContact O-N 3.09Å; W470-R536 HydrophobicContact CE3-CB 4.26Å; W470-R536 HydrophobicContact CH2-CB 3.78Å; W470-R536 HydrophobicContact CZ3-CB 3.52Å; N515-R536 PolarHBondContact O-NE 3.09Å; Y516-R536 WeakPolarHBondContact O-CA 3.39Å; R536-E538 IonicContact CZ-OE1 2.72Å; R536-E538 IonicContact CZ-OE2 3.37Å; R536-E538 IonicContact NH1-OE1 3.93Å; R536-E538 PolarHBondContact NH1-OE1 3.41Å; R536-E538 IonicContact NH1-OE2 3.3Å; R536-E538 PolarHBondContact NH1-OE2 2.84Å; R536-E538 PolarHBondContact O-N 2.86Å |
| 537 | V | 83.2 | Confident | 55.5 | Low | 6 Ų | 6 | 91 Ų | 91 | 4% | 0.036 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 118.9 | 169.5 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | L460 Y516 F518 W642 V645 Y646 W649 | L460-V537 HydrophobicContact CD2-CB 4.4Å; L460-V537 HydrophobicContact CD2-CG2 4.02Å; Y516-V537 PolarHBondContact O-N 3.38Å; F518-V537 HydrophobicContact CE1-CG2 4.11Å; V537-W642 HydrophobicContact CG1-CE3 4.35Å; V537-W642 HydrophobicContact CG1-CZ3 3.86Å; V537-V645 HydrophobicContact CG1-CB 4.45Å; V537-V645 HydrophobicContact CG1-CG1 3.86Å; V537-Y646 HydrophobicContact CG2-CD2 4.37Å; V537-W649 HydrophobicContact CG2-CB 4.3Å; V537-W649 HydrophobicContact CG2-CG 4.15Å |
| 538 | E | 71.3 | Confident | 54.7 | Low | 39 Ų | 39 | 92.9 Ų | 92.9 | 18% | 0.182 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 151.2 | 175.7 | -69.7 | -68.3 | 168.5 | 0 | 0 | 111 | E459 S461 L472 K514 R536 | E459-E538 HydrophobicContact CB-CB 4.24Å; E459-E538 PolarHBondContact O-N 3.26Å; S461-E538 WeakPolarHBondContact CB-OE1 3.48Å; S461-E538 WeakPolarHBondContact OG-CG 3.42Å; S461-E538 PolarHBondContact OG-OE1 3.03Å; L472-E538 HydrophobicContact CD1-CB 3.78Å; L472-E538 HydrophobicContact CD1-CG 3.74Å; K514-E538 IonicContact NZ-OE1 2.89Å; K514-E538 PolarHBondContact NZ-OE1 3.15Å; R536-E538 IonicContact CZ-OE1 2.72Å; R536-E538 IonicContact CZ-OE2 3.37Å; R536-E538 IonicContact NH1-OE1 3.93Å; R536-E538 PolarHBondContact NH1-OE1 3.41Å; R536-E538 IonicContact NH1-OE2 3.3Å; R536-E538 PolarHBondContact NH1-OE2 2.84Å; R536-E538 PolarHBondContact O-N 2.86Å |
| 539 | A | 51.1 | Low | 53.6 | Low | 49 Ų | 49 | 96.4 Ų | 96.4 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 129.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | C541 W642 | A539-C541 PolarHBondContact O-N 3.11Å; A539-W642 HydrophobicContact CB-CH2 3.97Å; A539-W642 HydrophobicContact CB-CZ2 3.57Å |
| 540 | P | 43.8 | Very low | 52.1 | Low | 90 Ų | 90 | 98.7 Ų | 98.7 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | trans | -60.5 | 115.4 | 176.9 | 26.1 | -33.2 | 0 | 0 | 0 | 108.5 | S542 | P540-S542 PolarHBondContact O-N 3.26Š| ||
| 541 | C | 33 | Very low | 50.2 | Low | 97 Ų | 97 | 100.8 Ų | 100.8 | 66% | 0.655 | 55% | 0.548 | S | S | * | . | trans | -61.2 | 110.4 | -164.7 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | A539 S543 | A539-C541 PolarHBondContact O-N 3.11Å; C541-S543 PolarHBondContact O-N 2.96Å | ||
| 542 | S | 27.3 | Very low | 48 | Very low | 116 Ų | 116 | 98.3 Ų | 98.3 | 81% | 0.811 | 56% | 0.556 | S | S | * | * | trans | -63.7 | 98.9 | 167.9 | 45 | 0 | 0 | 0 | 0 | 109.2 | P540 N544 | P540-S542 PolarHBondContact O-N 3.26Å; S542-N544 VanDerWaalsContact C-N 3.26Å; S542-N544 PolarHBondContact O-N 3.3Å | ||
| 543 | S | 25.1 | Very low | 45.3 | Very low | 112 Ų | 112 | 97.7 Ų | 97.7 | 78% | 0.783 | 57% | 0.566 | S | S | * | * | trans | -77.8 | 67.7 | -165.8 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | C541 | C541-S543 PolarHBondContact O-N 2.96Š| ||
| 544 | N | 24.6 | Very low | 42.6 | Very low | 146 Ų | 146 | 101.8 Ų | 101.8 | 78% | 0.781 | 59% | 0.594 | S | S | * | * | trans | -128.3 | 59 | 173 | -95.4 | -19.2 | 0 | 0 | 0 | 111.3 | S542 | S542-N544 VanDerWaalsContact C-N 3.26Å; S542-N544 PolarHBondContact O-N 3.3Å | ||
| 545 | K | 24 | Very low | 39.8 | Very low | 206 Ų | 206 | 108.8 Ų | 108.8 | 90% | 0.896 | 63% | 0.629 | S | S | * | * | trans | -90.5 | 91.2 | 158.7 | -76.8 | -171.4 | 176.5 | -178.5 | 0 | 109.3 | ||||
| 546 | F | 26.4 | Very low | 37.2 | Very low | 200 Ų | 200 | 114 Ų | 114 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | trans | -99.2 | 146.1 | 157 | -97.6 | -81.1 | 0 | 0 | 0 | 109.9 | ||||
| 547 | H | 28.5 | Very low | 34.3 | Very low | 177 Ų | 177 | 116.9 Ų | 116.9 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | trans | -80.2 | 147 | -172.5 | -95.4 | -93.9 | 0 | 0 | 0 | 113.4 | ||||
| 548 | S | 24.4 | Very low | 31.5 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | trans | -31.5 | 130.2 | 157.6 | 52.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 549 | N | 24.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | 168.4 | 117.6 | 114.3 | -87.1 | -7.2 | 0 | 0 | 0 | 113 | |||||
| 550 | V | 30.7 | Very low | 28.2 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | -154.5 | 137.9 | 128.5 | 170.2 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 551 | N | 27.4 | Very low | 27.3 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -104 | 153.2 | 174.7 | -70.1 | -21.8 | 0 | 0 | 0 | 111 | ||||
| 552 | G | 29.9 | Very low | 26.8 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 149 | 100.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 553 | S | 26.2 | Very low | 26.6 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 63.8 | 143.2 | 153.9 | -132.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 554 | T | 30.7 | Very low | 26.6 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | -150.2 | 161.8 | 6.4 | -30.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 555 | I | 27.6 | Very low | 26.6 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -136.4 | 156.2 | -178.9 | -81.4 | 174.4 | 0 | 0 | 0 | 106.8 | ||||
| 556 | P | 35.1 | Very low | 26.5 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -127.9 | 166 | 13.4 | 37.6 | -19.2 | 0 | 0 | 0 | 115.4 | ||||
| 557 | S | 25.1 | Very low | 26.4 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | 170.2 | 160.8 | 72 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 558 | R | 23.7 | Very low | 26.2 | Very low | 235 Ų | 235 | 143.7 Ų | 143.7 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | 50.9 | 86.5 | 162.7 | -68.8 | -175.2 | 173.3 | -178.1 | -1.6 | 119.3 | ||||
| 559 | V | 29.3 | Very low | 26.3 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | -134.6 | 136.6 | 128.5 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 560 | N | 24.3 | Very low | 26.3 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -81.5 | 128.1 | 174 | -72.4 | -12.6 | 0 | 0 | 0 | 109.9 | ||||
| 561 | L | 26.4 | Very low | 26.1 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -137.9 | 45.2 | 158.7 | -138.3 | 84.5 | 0 | 0 | 0 | 111 | ||||
| 562 | F | 21.7 | Very low | 25.9 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -109.3 | 151.3 | 160.1 | -73.9 | -83.2 | 0 | 0 | 0 | 108 | ||||
| 563 | N | 23 | Very low | 25.6 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 66.7 | 109.5 | -156.1 | -50.2 | 8.9 | 0 | 0 | 0 | 109.5 | ||||
| 564 | T | 25.2 | Very low | 25.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | S | Bend | -155.2 | 86 | 75.2 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | |||
| 565 | Y | 23.6 | Very low | 25.4 | Very low | 237 Ų | 237 | 137.3 Ų | 137.3 | 93% | 0.929 | 71% | 0.714 | S | S | * | * | trans | -154.3 | 64.4 | 157.5 | -83.7 | -66.2 | 0 | 0 | 0 | 106 | ||||
| 566 | D | 23.1 | Very low | 25.3 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | -75.1 | 151.3 | 177.6 | -145.9 | -24.7 | 0 | 0 | 0 | 109.9 | D568 | D566-D568 PolarHBondContact O-N 3.48Š| ||
| 567 | L | 22.9 | Very low | 25 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | trans | -81.1 | 108.8 | 177.8 | -67.4 | 97.2 | 0 | 0 | 0 | 108.3 | V569 | L567-V569 VanDerWaalsContact C-N 3.28Å; L567-V569 HydrophobicContact CB-CG2 4Å; L567-V569 WeakPolarHBondContact O-CG2 3.39Å; L567-V569 PolarHBondContact O-N 2.97Å | ||
| 568 | D | 25 | Very low | 25.2 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | trans | -76.1 | 85.5 | 173 | -143.3 | -33.3 | 0 | 0 | 0 | 109.6 | D566 N570 | D566-D568 PolarHBondContact O-N 3.48Å; D568-N570 PolarHBondContact O-N 3.32Å; D568-N570 WeakPolarHBondContact OD1-CB 3.45Å; D568-N570 PolarHBondContact OD1-ND2 3.48Å | ||
| 569 | V | 25.8 | Very low | 25.6 | Very low | 107 Ų | 107 | 133 Ų | 133 | 65% | 0.648 | 70% | 0.696 | S | S | * | * | trans | -75 | 52.6 | -178.4 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | L567 | L567-V569 VanDerWaalsContact C-N 3.28Å; L567-V569 HydrophobicContact CB-CG2 4Å; L567-V569 WeakPolarHBondContact O-CG2 3.39Å; L567-V569 PolarHBondContact O-N 2.97Å | ||
| 570 | N | 24.8 | Very low | 25.8 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | trans | -128.2 | 12.2 | -173.2 | -77.8 | -57 | 0 | 0 | 0 | 114.4 | D568 Y572 | D568-N570 PolarHBondContact O-N 3.32Å; D568-N570 WeakPolarHBondContact OD1-CB 3.45Å; D568-N570 PolarHBondContact OD1-ND2 3.48Å; N570-Y572 PolarHBondContact O-N 2.83Å | ||
| 571 | S | 26.5 | Very low | 26 | Very low | 130 Ų | 130 | 135 Ų | 135 | 91% | 0.909 | 69% | 0.691 | S | S | * | * | trans | -84.8 | 23.9 | 164.4 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 572 | Y | 24 | Very low | 26.1 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 39% | 0.388 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -88.2 | 155.3 | 160.9 | -103.1 | -67.5 | 0 | 0 | 0 | 110 | F76 I107 M108 N570 | F76-Y572 AromaticContact CE1-CD1 3.87Å; F76-Y572 HydrophobicContact CE1-CD1 3.87Å; F76-Y572 AromaticContact CE1-CE1 3.94Å; F76-Y572 HydrophobicContact CE1-CE1 3.94Å; F76-Y572 HydrophobicContact CZ-CD1 4.46Å; I107-Y572 WeakPolarHBondContact O-CE1 3.17Å; I107-Y572 VanDerWaalsContact O-CZ 3.29Å; I107-Y572 PolarHBondContact O-OH 3.49Å; M108-Y572 HydrophobicContact CB-CD1 4.21Å; M108-Y572 HydrophobicContact CB-CE1 4.41Å; M108-Y572 HydrophobicContact CE-CD1 4.05Å; M108-Y572 HydrophobicContact CE-CG 4.17Å; M108-Y572 HydrophobicContact CG-CD1 3.7Å; M108-Y572 HydrophobicContact CG-CE1 4.01Å; M108-Y572 HydrophobicContact CG-CG 4.46Å; N570-Y572 PolarHBondContact O-N 2.83Å |
| 573 | S | 24.3 | Very low | 26.2 | Very low | 36 Ų | 36 | 131 Ų | 131 | 25% | 0.252 | 68% | 0.683 | S | S | . | * | trans | -71 | 175 | -168.9 | -164.9 | 0 | 0 | 0 | 0 | 113.5 | F74 H75 | F74-S573 VanDerWaalsContact CD1-C 3.42Å; F74-S573 WeakPolarHBondContact CD1-O 3.5Å; F74-S573 WeakPolarHBondContact CE1-O 3.46Å; H75-S573 PolarHBondContact N-OG 2.94Å; H75-S573 WeakPolarHBondContact O-CB 3.33Å; H75-S573 PolarHBondContact O-OG 3.43Å | ||
| 574 | G | 24.2 | Very low | 26.6 | Very low | 23 Ų | 23 | 132.1 Ų | 132.1 | 24% | 0.237 | 68% | 0.683 | C | S | . | * | trans | 77.4 | 107.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | C73 F74 | C73-G574 WeakPolarHBondContact O-CA 3.32Å; F74-G574 VanDerWaalsContact CD1-CA 3.47Å; F74-G574 VanDerWaalsContact CE1-O 3.24Å; F74-G574 WeakPolarHBondContact CE1-O 3.18Å | ||
| 575 | R | 28.3 | Very low | 26.5 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | trans | -154 | 168.8 | 135.6 | -112 | 169 | -169.8 | -94.8 | -5.1 | 110.6 | R28 A72 | R28-R575 PolarHBondContact NH2-O 3.24Å; A72-R575 HydrophobicContact CB-CG 4.34Å | ||
| 576 | S | 25.9 | Very low | 26.7 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 52% | 0.524 | 68% | 0.683 | S | S | . | * | trans | -100.4 | 159.8 | -175.9 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 577 | E | 28.2 | Very low | 26.7 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -76.6 | -178.9 | 166.4 | -47.3 | 179.4 | 131.9 | 0 | 0 | 109.5 | ||||
| 578 | E | 28.1 | Very low | 27 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | cis | -152.9 | -157.2 | 21 | -132.9 | -144.8 | 132.2 | 0 | 0 | 110.8 | ||||
| 579 | P | 32.7 | Very low | 26.9 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | trans | -129.7 | -130.3 | -146.3 | 42.9 | -18.3 | 0 | 0 | 0 | 113.5 | ||||
| 580 | P | 33.5 | Very low | 27 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 61% | 0.61 | 70% | 0.699 | S | S | * | * | -123.8 | 148.7 | -53.7 | 33.2 | -18.1 | 0 | 0 | 0 | 114.7 | |||||
| 581 | Y | 29 | Very low | 26.9 | Very low | 233 Ų | 233 | 129.6 Ų | 129.6 | 91% | 0.914 | 70% | 0.703 | S | S | * | * | trans | -149.4 | 119 | 158.1 | -78.9 | -66.7 | 0 | 0 | 0 | 116.1 | ||||
| 582 | T | 28.6 | Very low | 26.8 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | 17.1 | 131 | 151.8 | 51.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 583 | L | 24.4 | Very low | 26.7 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | 62 | 141.1 | 140.9 | -63.2 | 161.7 | 0 | 0 | 0 | 118 | ||||
| 584 | Q | 29.6 | Very low | 26.8 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | cis | -157.4 | 170.9 | 25 | -148.7 | 167.8 | 23.4 | 0 | 0 | 112.2 | ||||
| 585 | N | 23.7 | Very low | 26.7 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -38.9 | 136.6 | -177.1 | -63.2 | -19.4 | 0 | 0 | 0 | 118.1 | ||||
| 586 | L | 27.7 | Very low | 26.6 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | -155.5 | 143.9 | 126.4 | -111.7 | 162.6 | 0 | 0 | 0 | 110.9 | |||||
| 587 | S | 23.4 | Very low | 26.5 | Very low | 92 Ų | 92 | 150.8 Ų | 150.8 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -84.5 | 141.9 | -174.5 | 53.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 588 | H | 28.6 | Very low | 26.4 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | trans | -163.6 | 149 | 131.1 | -101.6 | -68.1 | 0 | 0 | 0 | 110.7 | ||||
| 589 | S | 24.2 | Very low | 26.3 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -98.9 | 130.8 | -175.6 | -178.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 590 | C | 27 | Very low | 25.9 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -154.4 | 140.3 | 151.9 | -156.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 591 | C | 23.3 | Very low | 25.5 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 132.5 | -170.2 | -50.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 592 | R | 24.5 | Very low | 25.5 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 118 | 156.8 | -83.7 | -171.8 | 170.9 | -171.3 | -3.1 | 109.6 | ||
| 593 | F | 21.9 | Very low | 25.2 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.3 | 154.4 | -85.6 | -92.4 | 0 | 0 | 0 | 107.9 | ||
| 594 | A | 26 | Very low | 25.2 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 60% | 0.603 | 80% | 0.799 | S | S | * | * | trans | -140.5 | 114.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 595 | C | 23.4 | Very low | 25.2 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -103 | 78.5 | 170.8 | -64.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 596 | D | 25 | Very low | 25.1 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -76.8 | 139.7 | 163.6 | -72.6 | -55.4 | 0 | 0 | 0 | 109 | ||||
| 597 | W | 23.7 | Very low | 25.1 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -117.6 | 147.9 | 176.4 | -94.7 | 9.1 | 0 | 0 | 0 | 110 | F735 | W597-F735 HydrophobicContact CH2-CE1 4.44Š| ||
| 598 | A | 26.2 | Very low | 25.2 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | 98.4 | 106.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 599 | V | 25.5 | Very low | 25.2 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | trans | 68.8 | 99.1 | 139 | -172.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 600 | H | 25.2 | Very low | 25.2 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 94% | 0.94 | 77% | 0.771 | S | S | * | * | trans | -124.9 | 116.2 | 131.5 | -93.7 | -67.6 | 0 | 0 | 0 | 109.8 | ||||
| 601 | S | 24.2 | Very low | 25.3 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -126 | 131.7 | 163.2 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 602 | N | 28.8 | Very low | 25.4 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | trans | -151.9 | 158.3 | 164 | -119.7 | -25.1 | 0 | 0 | 0 | 109.4 | ||||
| 603 | L | 23.5 | Very low | 25.5 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | -116.5 | 150.4 | -150.9 | -160.6 | 74.5 | 0 | 0 | 0 | 112.9 | ||||
| 604 | T | 25.1 | Very low | 25.7 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | 70 | 155.3 | 174 | 77.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 605 | S | 27.9 | Very low | 25.8 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | cis | -135.7 | 173 | 9.6 | 69 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 606 | V | 22.8 | Very low | 25.9 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | trans | -57.6 | 133 | 169.8 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 607 | D | 27.6 | Very low | 26.2 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | -168.4 | 159.9 | 113.1 | -123.9 | -41.2 | 0 | 0 | 0 | 117.1 | |||||
| 608 | N | 24.7 | Very low | 26.3 | Very low | 114 Ų | 114 | 121 Ų | 121 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | trans | -49.6 | 154.2 | -174.1 | -84.4 | -93 | 0 | 0 | 0 | 121.5 | ||||
| 609 | K | 28.4 | Very low | 26.9 | Very low | 186 Ų | 186 | 121.8 Ų | 121.8 | 81% | 0.809 | 70% | 0.7 | S | S | * | * | trans | 70.7 | 155.8 | 146.6 | -69.4 | 160.6 | -170.3 | 172.1 | 0 | 118.6 | ||||
| 610 | S | 25.1 | Very low | 26.9 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | cis | -176.7 | 159.6 | -21.2 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 611 | L | 28.4 | Very low | 27.2 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | trans | 76.6 | 130 | 173.4 | -53.5 | 136.7 | 0 | 0 | 0 | 113.8 | ||||
| 612 | L | 25.4 | Very low | 27.3 | Very low | 136 Ų | 136 | 119.3 Ų | 119.3 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | 69.8 | 120.8 | 59.6 | -60.8 | 157.9 | 0 | 0 | 0 | 110.9 | |||||
| 613 | S | 27.7 | Very low | 27.3 | Very low | 51 Ų | 51 | 117.7 Ų | 117.7 | 36% | 0.357 | 69% | 0.685 | S | S | . | * | -159.7 | -115.5 | 74.3 | -80.8 | 0 | 0 | 0 | 0 | 118.8 | A774 D775 H776 | S613-A774 CarbonylContact O-C 3.57Å; S613-A774 WeakPolarHBondContact O-CA 3.06Å; S613-A774 WeakPolarHBondContact O-CB 3.23Å; S613-D775 CarbonylContact C-O 3.56Å; S613-D775 VanDerWaalsContact C-O 3.24Å; S613-D775 WeakPolarHBondContact CA-O 3.18Å; S613-D775 WeakPolarHBondContact CB-O 3.31Å; S613-D775 PolarHBondContact O-N 2.8Å; S613-D775 PolarHBondContact OG-O 2.82Å; S613-H776 WeakPolarHBondContact CB-CE1 3.27Å; S613-H776 WeakPolarHBondContact CB-ND1 3.38Å; S613-H776 PolarHBondContact OG-ND1 2.68Å | |||
| 614 | S | 25.4 | Very low | 27.4 | Very low | 42 Ų | 42 | 115.7 Ų | 115.7 | 29% | 0.294 | 68% | 0.683 | S | S | . | * | trans | -131 | 176.2 | -140.9 | -141.1 | 0 | 0 | 0 | 0 | 119.2 | D775 H776 | S614-D775 WeakPolarHBondContact CB-O 3.47Å; S614-D775 WeakPolarHBondContact OG-CA 3.22Å; S614-D775 PolarHBondContact OG-N 3.37Å; S614-H776 WeakPolarHBondContact CB-CD2 3.44Å; S614-H776 VanDerWaalsContact CB-N 3.31Å; S614-H776 PolarHBondContact OG-N 3.3Å | ||
| 615 | S | 26.9 | Very low | 27.4 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 47% | 0.469 | 68% | 0.676 | S | S | . | * | cis | 76.5 | 148.6 | 12.8 | 151 | 0 | 0 | 0 | 0 | 118.9 | A774 | S615-A774 WeakPolarHBondContact CB-O 3.3Å; S615-A774 PolarHBondContact OG-O 3.21Å | ||
| 616 | S | 27.4 | Very low | 27.5 | Very low | 98 Ų | 98 | 115.9 Ų | 115.9 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | cis | -168.3 | 148.2 | -24.4 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 617 | T | 29.9 | Very low | 27.6 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 87% | 0.865 | 67% | 0.669 | S | S | * | * | trans | -172.2 | 133.3 | 147.7 | 5.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 618 | N | 25.9 | Very low | 27.6 | Very low | 150 Ų | 150 | 115.2 Ų | 115.2 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | trans | -97.7 | -160.5 | 155.9 | -72.7 | -38.3 | 0 | 0 | 0 | 107.6 | ||||
| 619 | P | 39.4 | Very low | 27.6 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | cis | -128.4 | 175.2 | -12.3 | 27.8 | -3.3 | 0 | 0 | 0 | 113.7 | ||||
| 620 | N | 25.6 | Very low | 27.4 | Very low | 142 Ų | 142 | 113.8 Ų | 113.8 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | 174.3 | 173.6 | 86.9 | -77.5 | -65.7 | 0 | 0 | 0 | 107.3 | |||||
| 621 | V | 31.2 | Very low | 27.5 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | cis | -164.3 | 124.6 | 45.4 | 171 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 622 | S | 26.5 | Very low | 27.3 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 63% | 0.629 | 68% | 0.684 | S | S | * | * | trans | 60.5 | 151.9 | 145.4 | 86.1 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 623 | N | 29.2 | Very low | 27.3 | Very low | 142 Ų | 142 | 113.7 Ų | 113.7 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | trans | 75.1 | 114 | 149.1 | -64.7 | -2.5 | 0 | 0 | 0 | 118.8 | ||||
| 624 | S | 25 | Very low | 27.1 | Very low | 105 Ų | 105 | 117.2 Ų | 117.2 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | 80.3 | 130 | 58.9 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 625 | S | 25.9 | Very low | 27.1 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | cis | -153.5 | -164.7 | -1.1 | 53.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 626 | E | 28 | Very low | 27 | Very low | 152 Ų | 152 | 124 Ų | 124 | 71% | 0.71 | 74% | 0.735 | S | S | * | * | cis | -169.2 | -170.2 | 11.2 | -143.1 | 166.9 | -77.8 | 0 | 0 | 113.5 | ||||
| 627 | N | 25.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | trans | -0.7 | 138.6 | 148.8 | -68.2 | -32.9 | 0 | 0 | 0 | 118.4 | ||||
| 628 | N | 27.7 | Very low | 26.8 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | cis | -170.4 | 151.7 | 39 | -126.9 | -25.2 | 0 | 0 | 0 | 114.8 | ||||
| 629 | N | 26 | Very low | 27.1 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | trans | 60.4 | 122.7 | 146.8 | -66.1 | -31 | 0 | 0 | 0 | 125.6 | ||||
| 630 | N | 24.4 | Very low | 27.2 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | 88.1 | 149 | 130.4 | -77 | -15 | 0 | 0 | 0 | 123.9 | ||||
| 631 | C | 27.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 115.8 Ų | 115.8 | 78% | 0.784 | 69% | 0.688 | S | S | * | * | trans | 61.1 | 95.8 | 171.9 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 632 | L | 22.5 | Very low | 30 | Very low | 182 Ų | 182 | 113.8 Ų | 113.8 | 95% | 0.953 | 67% | 0.667 | S | S | * | * | 55.5 | 89.6 | 54.8 | -151.5 | 95.1 | 0 | 0 | 0 | 112 | |||||
| 633 | G | 26.8 | Very low | 31.6 | Very low | 68 Ų | 68 | 113.4 Ų | 113.4 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | trans | -146.8 | 135.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | C635 | G633-C635 PolarHBondContact O-N 2.78Š| ||
| 634 | N | 23.9 | Very low | 32.9 | Very low | 125 Ų | 125 | 109.6 Ų | 109.6 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | trans | -64.4 | 133.6 | -168.3 | -68.4 | 7.3 | 0 | 0 | 0 | 112.9 | D636 | N634-D636 HydrophobicContact CB-CB 4.42Å; N634-D636 WeakPolarHBondContact CB-OD1 3.4Å; N634-D636 PolarHBondContact ND2-OD1 3.37Å; N634-D636 PolarHBondContact O-N 3.29Å | ||
| 635 | C | 24.5 | Very low | 34.5 | Very low | 122 Ų | 122 | 105.5 Ų | 105.5 | 82% | 0.824 | 61% | 0.607 | S | S | * | * | trans | -75.1 | 77.1 | 148 | -66 | 0 | 0 | 0 | 0 | 108.3 | G633 L637 | G633-C635 PolarHBondContact O-N 2.78Å; C635-L637 PolarHBondContact O-N 2.81Å | ||
| 636 | D | 24.4 | Very low | 36.6 | Very low | 131 Ų | 131 | 102.4 Ų | 102.4 | 70% | 0.701 | 58% | 0.581 | S | S | * | * | trans | -67.8 | 79.6 | 171.1 | -75.1 | -26.4 | 0 | 0 | 0 | 109 | N634 | N634-D636 HydrophobicContact CB-CB 4.42Å; N634-D636 WeakPolarHBondContact CB-OD1 3.4Å; N634-D636 PolarHBondContact ND2-OD1 3.37Å; N634-D636 PolarHBondContact O-N 3.29Å | ||
| 637 | L | 25.1 | Very low | 38.2 | Very low | 152 Ų | 152 | 100.2 Ų | 100.2 | 80% | 0.796 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.3 | 167.4 | -81.7 | 155.7 | 0 | 0 | 0 | 108.3 | C635 | C635-L637 PolarHBondContact O-N 2.81Š|
| 638 | P | 27.8 | Very low | 39.9 | Very low | 101 Ų | 101 | 96.2 Ų | 96.2 | 66% | 0.656 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 140.2 | -179.7 | 25.8 | -33.6 | 0 | 0 | 0 | 109.8 | ||
| 639 | P | 32.7 | Very low | 42.1 | Very low | 103 Ų | 103 | 90.4 Ų | 90.4 | 67% | 0.669 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 150.8 | 169.5 | 27.9 | -35.1 | 0 | 0 | 0 | 108.9 | T641 | P639-T641 PolarHBondContact O-N 2.92Š|
| 640 | A | 41.4 | Very low | 44.2 | Very low | 19 Ų | 19 | 84.9 Ų | 84.9 | 16% | 0.157 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -51.1 | 134.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I644 D712 F714 | A640-I644 HydrophobicContact CB-CD1 3.78Å; A640-D712 HydrophobicContact CB-CB 3.45Å; A640-D712 VanDerWaalsContact CB-CB 3.45Å; A640-D712 PolarHBondContact N-O 2.71Å; A640-F714 HydrophobicContact CB-CD2 4.46Å; A640-F714 HydrophobicContact CB-CE2 3.68Å; A640-F714 WeakPolarHBondContact O-CE2 3.22Å; A640-F714 VanDerWaalsContact O-CZ 3.25Å; A640-F714 WeakPolarHBondContact O-CZ 3.45Å |
| 641 | T | 55.1 | Low | 46 | Very low | 81 Ų | 81 | 81.6 Ų | 81.6 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -56 | 142.7 | -172.1 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | P639 D643 I644 | P639-T641 PolarHBondContact O-N 2.92Å; T641-D643 PolarHBondContact O-N 3Å; T641-I644 WeakPolarHBondContact O-CB 3.35Å; T641-I644 PolarHBondContact O-N 3.21Å |
| 642 | W | 61.4 | Low | 47.9 | Very low | 85 Ų | 85 | 76.6 Ų | 76.6 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -54.7 | -26.9 | -173.1 | -91 | 106.5 | 0 | 0 | 0 | 113.8 | Y516 V537 A539 I644 V645 Y646 F714 | Y516-W642 HydrophobicContact CD2-CB 4.15Å; Y516-W642 HydrophobicContact CE1-CB 4.05Å; Y516-W642 HydrophobicContact CE2-CB 3.4Å; Y516-W642 AromaticContact CE2-CG 3.96Å; Y516-W642 HydrophobicContact CE2-CG 3.96Å; Y516-W642 WeakPolarHBondContact OH-CB 3.2Å; V537-W642 HydrophobicContact CG1-CE3 4.35Å; V537-W642 HydrophobicContact CG1-CZ3 3.86Å; A539-W642 HydrophobicContact CB-CH2 3.97Å; A539-W642 HydrophobicContact CB-CZ2 3.57Å; W642-I644 PolarHBondContact O-N 3.08Å; W642-V645 HydrophobicContact CD2-CG2 4.46Å; W642-V645 HydrophobicContact CE3-CB 3.94Å; W642-V645 HydrophobicContact CE3-CG1 4.47Å; W642-V645 HydrophobicContact CE3-CG2 3.63Å; W642-V645 HydrophobicContact CZ3-CB 4.03Å; W642-V645 HydrophobicContact CZ3-CG1 4.07Å; W642-V645 HydrophobicContact CZ3-CG2 3.76Å; W642-V645 WeakPolarHBondContact O-CB 3.38Å; W642-V645 PolarHBondContact O-N 3.12Å; W642-V645 VanDerWaalsContact O-N 3.09Å; W642-Y646 PolarHBondContact O-N 3.24Å; W642-F714 HydrophobicContact CH2-CE1 4.39Å; W642-F714 HydrophobicContact CZ3-CE1 4.48Å |
| 643 | D | 60.3 | Low | 50.3 | Low | 83 Ų | 83 | 68 Ų | 68 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53.3 | -37.3 | 171.4 | -48 | -81.1 | 0 | 0 | 0 | 112.6 | T641 Y646 Q647 | T641-D643 PolarHBondContact O-N 3Å; D643-Y646 PolarHBondContact O-N 3.34Å; D643-Q647 VanDerWaalsContact O-CB 3.3Å; D643-Q647 WeakPolarHBondContact O-CB 3.46Å; D643-Q647 WeakPolarHBondContact O-CG 3.44Å; D643-Q647 PolarHBondContact O-N 3.42Å |
| 644 | I | 55.8 | Low | 52 | Low | 62 Ų | 62 | 68.8 Ų | 68.8 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 177.4 | -66 | 168 | 0 | 0 | 0 | 111 | A640 T641 W642 R648 F737 | A640-I644 HydrophobicContact CB-CD1 3.78Å; T641-I644 WeakPolarHBondContact O-CB 3.35Å; T641-I644 PolarHBondContact O-N 3.21Å; W642-I644 PolarHBondContact O-N 3.08Å; I644-R648 WeakPolarHBondContact O-CB 3.21Å; I644-R648 PolarHBondContact O-N 3.17Å; I644-F737 HydrophobicContact CG2-CE1 3.79Å; I644-F737 HydrophobicContact CG2-CZ 4.32Å |
| 645 | V | 58.4 | Low | 53.8 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 11% | 0.109 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 175.9 | -161.3 | 0 | 0 | 0 | 0 | 110.9 | V537 W642 R648 W649 F714 | V537-V645 HydrophobicContact CG1-CB 4.45Å; V537-V645 HydrophobicContact CG1-CG1 3.86Å; W642-V645 HydrophobicContact CD2-CG2 4.46Å; W642-V645 HydrophobicContact CE3-CB 3.94Å; W642-V645 HydrophobicContact CE3-CG1 4.47Å; W642-V645 HydrophobicContact CE3-CG2 3.63Å; W642-V645 HydrophobicContact CZ3-CB 4.03Å; W642-V645 HydrophobicContact CZ3-CG1 4.07Å; W642-V645 HydrophobicContact CZ3-CG2 3.76Å; W642-V645 WeakPolarHBondContact O-CB 3.38Å; W642-V645 PolarHBondContact O-N 3.12Å; W642-V645 VanDerWaalsContact O-N 3.09Å; V645-R648 PolarHBondContact O-N 3.28Å; V645-W649 PolarHBondContact O-N 3.14Å; V645-F714 HydrophobicContact CG1-CD1 4.42Å; V645-F714 HydrophobicContact CG2-CD1 3.57Å; V645-F714 HydrophobicContact CG2-CD2 3.8Å; V645-F714 HydrophobicContact CG2-CE1 3.19Å; V645-F714 HydrophobicContact CG2-CE2 3.38Å; V645-F714 HydrophobicContact CG2-CG 3.88Å; V645-F714 HydrophobicContact CG2-CZ 3.09Å |
| 646 | Y | 69.2 | Low | 55.8 | Low | 32 Ų | 32 | 64.1 Ų | 64.1 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 178.1 | 173.1 | -108.5 | 0 | 0 | 0 | 110.7 | Y516 C517 F518 V537 W642 D643 R648 W649 V650 | Y516-Y646 VanDerWaalsContact CA-CD2 3.49Å; Y516-Y646 HydrophobicContact CD1-CD1 4.26Å; Y516-Y646 HydrophobicContact CD1-CD2 4.33Å; Y516-Y646 AromaticContact CD1-CG 3.8Å; Y516-Y646 HydrophobicContact CD1-CG 3.8Å; Y516-Y646 HydrophobicContact CG-CG 4.38Å; C517-Y646 WeakPolarHBondContact O-CE2 3.44Å; C517-Y646 PolarHBondContact O-OH 3.4Å; F518-Y646 HydrophobicContact CB-CE2 4.19Å; F518-Y646 HydrophobicContact CD1-CD2 4.4Å; F518-Y646 HydrophobicContact CD1-CE2 4.06Å; V537-Y646 HydrophobicContact CG2-CD2 4.37Å; W642-Y646 PolarHBondContact O-N 3.24Å; D643-Y646 PolarHBondContact O-N 3.34Å; Y646-R648 VanDerWaalsContact C-N 3.31Å; Y646-R648 PolarHBondContact O-N 3.28Å; Y646-W649 PolarHBondContact O-N 3.44Å; Y646-V650 HydrophobicContact CD1-CG2 4.36Å; Y646-V650 HydrophobicContact CD2-CG2 3.96Å; Y646-V650 HydrophobicContact CE1-CG2 4.01Å; Y646-V650 HydrophobicContact CE2-CG2 3.58Å; Y646-V650 HydrophobicContact CG-CG2 4.33Å; Y646-V650 VanDerWaalsContact O-CB 3.3Å; Y646-V650 WeakPolarHBondContact O-CB 3.36Å; Y646-V650 VanDerWaalsContact O-CG2 3.23Å; Y646-V650 WeakPolarHBondContact O-CG2 3.17Å; Y646-V650 PolarHBondContact O-N 2.95Å |
| 647 | Q | 63.2 | Low | 57.8 | Low | 106 Ų | 106 | 58.2 Ų | 58.2 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 175.9 | -69.1 | -64.8 | -1.5 | 0 | 0 | 112.3 | D643 T651 | D643-Q647 VanDerWaalsContact O-CB 3.3Å; D643-Q647 WeakPolarHBondContact O-CB 3.46Å; D643-Q647 WeakPolarHBondContact O-CG 3.44Å; D643-Q647 PolarHBondContact O-N 3.42Å; Q647-T651 WeakPolarHBondContact O-CB 3.34Å; Q647-T651 PolarHBondContact O-N 3.15Å; Q647-T651 PolarHBondContact O-OG1 3.35Å |
| 648 | R | 60.2 | Low | 58.8 | Low | 37 Ų | 37 | 56.6 Ų | 56.6 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 174.7 | -148.7 | -178.4 | 101.2 | -156.6 | 9.2 | 111.7 | E455 I456 I644 V645 Y646 T651 S652 F737 | E455-R648 PolarHBondContact O-NH2 3Å; I456-R648 HydrophobicContact CD1-CB 4.28Å; I456-R648 HydrophobicContact CD1-CG 3.92Å; I456-R648 WeakPolarHBondContact CD1-O 3.21Å; I644-R648 WeakPolarHBondContact O-CB 3.21Å; I644-R648 PolarHBondContact O-N 3.17Å; V645-R648 PolarHBondContact O-N 3.28Å; Y646-R648 VanDerWaalsContact C-N 3.31Å; Y646-R648 PolarHBondContact O-N 3.28Å; R648-T651 PolarHBondContact O-N 2.84Å; R648-S652 PolarHBondContact O-N 2.82Å; R648-S652 VanDerWaalsContact O-N 3.07Å; R648-F737 VanDerWaalsContact CD-CZ 3.48Å; R648-F737 HydrophobicContact CG-CZ 4.12Å |
| 649 | W | 74.9 | Confident | 59.5 | Low | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 173.1 | -96 | 112.8 | 0 | 0 | 0 | 111.6 | I456 L460 A475 L477 L484 F518 V537 V645 Y646 L653 | I456-W649 HydrophobicContact CG2-CD2 3.73Å; I456-W649 VanDerWaalsContact CG2-CE2 3.45Å; I456-W649 HydrophobicContact CG2-CE3 4.13Å; I456-W649 HydrophobicContact CG2-CG 4.23Å; I456-W649 HydrophobicContact CG2-CH2 4.05Å; I456-W649 HydrophobicContact CG2-CZ2 3.64Å; I456-W649 HydrophobicContact CG2-CZ3 4.27Å; L460-W649 HydrophobicContact CD1-CE3 4.41Å; L460-W649 HydrophobicContact CD1-CH2 3.98Å; L460-W649 HydrophobicContact CD1-CZ2 4.08Å; L460-W649 HydrophobicContact CD1-CZ3 4.14Å; L460-W649 HydrophobicContact CD2-CD2 4.29Å; L460-W649 HydrophobicContact CD2-CZ2 4.28Å; L460-W649 HydrophobicContact CG-CH2 4.45Å; L460-W649 HydrophobicContact CG-CZ2 4.08Å; A475-W649 HydrophobicContact CB-CH2 3.56Å; A475-W649 HydrophobicContact CB-CZ2 3.81Å; L477-W649 HydrophobicContact CB-CZ3 4.33Å; L484-W649 HydrophobicContact CD1-CH2 3.98Å; L484-W649 HydrophobicContact CD1-CZ3 3.78Å; F518-W649 HydrophobicContact CE1-CB 4.48Å; V537-W649 HydrophobicContact CG2-CB 4.3Å; V537-W649 HydrophobicContact CG2-CG 4.15Å; V645-W649 PolarHBondContact O-N 3.14Å; Y646-W649 PolarHBondContact O-N 3.44Å; W649-L653 HydrophobicContact CE3-CD1 3.82Å; W649-L653 HydrophobicContact CE3-CD2 4.48Å; W649-L653 HydrophobicContact CE3-CG 4.01Å; W649-L653 HydrophobicContact CZ3-CD1 4.42Å; W649-L653 HydrophobicContact CZ3-CD2 4.44Å; W649-L653 HydrophobicContact CZ3-CG 4.45Å; W649-L653 WeakPolarHBondContact O-CB 3.2Å; W649-L653 WeakPolarHBondContact O-CG 3.45Å; W649-L653 PolarHBondContact O-N 2.81Å |
| 650 | V | 69.8 | Low | 59.9 | Low | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 179.3 | 164.6 | 0 | 0 | 0 | 0 | 111.8 | F504 F518 Y646 K654 | F504-V650 HydrophobicContact CE1-CG1 3.93Å; F504-V650 HydrophobicContact CE2-CB 4.22Å; F504-V650 HydrophobicContact CE2-CG1 4.04Å; F504-V650 HydrophobicContact CE2-CG2 3.86Å; F504-V650 HydrophobicContact CZ-CB 4.04Å; F504-V650 HydrophobicContact CZ-CG1 3.48Å; F504-V650 VanDerWaalsContact CZ-CG1 3.48Å; F504-V650 HydrophobicContact CZ-CG2 3.68Å; F518-V650 HydrophobicContact CB-CG2 4.45Å; Y646-V650 HydrophobicContact CD1-CG2 4.36Å; Y646-V650 HydrophobicContact CD2-CG2 3.96Å; Y646-V650 HydrophobicContact CE1-CG2 4.01Å; Y646-V650 HydrophobicContact CE2-CG2 3.58Å; Y646-V650 HydrophobicContact CG-CG2 4.33Å; Y646-V650 VanDerWaalsContact O-CB 3.3Å; Y646-V650 WeakPolarHBondContact O-CB 3.36Å; Y646-V650 VanDerWaalsContact O-CG2 3.23Å; Y646-V650 WeakPolarHBondContact O-CG2 3.17Å; Y646-V650 PolarHBondContact O-N 2.95Å; V650-K654 HydrophobicContact CG1-CD 4.31Å; V650-K654 HydrophobicContact CG1-CG 4.46Å; V650-K654 WeakPolarHBondContact O-CB 3.18Å; V650-K654 WeakPolarHBondContact O-CG 3.46Å; V650-K654 PolarHBondContact O-N 3.09Å |
| 651 | T | 62.4 | Low | 59.8 | Low | 77 Ų | 77 | 57.4 Ų | 57.4 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.7 | -47.4 | -175.7 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | Q647 R648 K654 R655 | Q647-T651 WeakPolarHBondContact O-CB 3.34Å; Q647-T651 PolarHBondContact O-N 3.15Å; Q647-T651 PolarHBondContact O-OG1 3.35Å; R648-T651 PolarHBondContact O-N 2.84Å; T651-K654 WeakPolarHBondContact O-CB 3.41Å; T651-K654 PolarHBondContact O-N 2.89Å; T651-R655 WeakPolarHBondContact O-CB 3.22Å; T651-R655 PolarHBondContact O-N 3.34Å |
| 652 | S | 65.7 | Low | 58.7 | Low | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 176.6 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | E455 I456 R648 K654 R655 H656 | E455-S652 WeakPolarHBondContact OE1-CB 3.49Å; E455-S652 PolarHBondContact OE1-OG 2.71Å; I456-S652 WeakPolarHBondContact CD1-OG 3.31Å; R648-S652 PolarHBondContact O-N 2.82Å; R648-S652 VanDerWaalsContact O-N 3.07Å; S652-K654 PolarHBondContact O-N 2.86Å; S652-R655 PolarHBondContact O-N 3.08Å; S652-H656 PolarHBondContact O-CD2 3.09Å; S652-H656 PolarHBondContact O-N 2.69Å |
| 653 | L | 72.7 | Confident | 57.1 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.9 | -74.8 | 173.7 | 0 | 0 | 0 | 111.6 | L477 L484 L499 F504 F518 W649 R655 H656 C657 | L477-L653 HydrophobicContact CD2-CD2 4.4Å; L484-L653 HydrophobicContact CD2-CD2 4.18Å; L499-L653 HydrophobicContact CD1-CD2 3.67Å; L499-L653 HydrophobicContact CD2-CD2 4.12Å; F504-L653 HydrophobicContact CD2-CB 4.33Å; F518-L653 HydrophobicContact CD2-CD1 3.96Å; F518-L653 HydrophobicContact CE1-CD1 4.46Å; F518-L653 HydrophobicContact CE2-CD1 3.21Å; F518-L653 HydrophobicContact CZ-CD1 3.51Å; W649-L653 HydrophobicContact CE3-CD1 3.82Å; W649-L653 HydrophobicContact CE3-CD2 4.48Å; W649-L653 HydrophobicContact CE3-CG 4.01Å; W649-L653 HydrophobicContact CZ3-CD1 4.42Å; W649-L653 HydrophobicContact CZ3-CD2 4.44Å; W649-L653 HydrophobicContact CZ3-CG 4.45Å; W649-L653 WeakPolarHBondContact O-CB 3.2Å; W649-L653 WeakPolarHBondContact O-CG 3.45Å; W649-L653 PolarHBondContact O-N 2.81Å; L653-R655 PolarHBondContact O-N 3.46Å; L653-H656 PolarHBondContact O-N 3.08Å; L653-C657 PolarHBondContact O-N 2.83Å; L653-C657 VanDerWaalsContact O-N 3.11Å; L653-C657 PolarHBondContact O-SG 3.25Å |
| 654 | K | 63.5 | Low | 56 | Low | 86 Ų | 86 | 56 Ų | 56 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -49.7 | -59.1 | 172.4 | -91.5 | -171.8 | 167.8 | -162.3 | 0 | 110.7 | F504 V650 T651 S652 H656 C657 T660 | F504-K654 HydrophobicContact CB-CG 4.25Å; F504-K654 HydrophobicContact CD1-CD 4.29Å; F504-K654 HydrophobicContact CD1-CG 3.53Å; F504-K654 HydrophobicContact CD2-CG 4.48Å; F504-K654 HydrophobicContact CE1-CD 4.47Å; F504-K654 HydrophobicContact CE1-CG 4.05Å; F504-K654 HydrophobicContact CG-CG 3.81Å; V650-K654 HydrophobicContact CG1-CD 4.31Å; V650-K654 HydrophobicContact CG1-CG 4.46Å; V650-K654 WeakPolarHBondContact O-CB 3.18Å; V650-K654 WeakPolarHBondContact O-CG 3.46Å; V650-K654 PolarHBondContact O-N 3.09Å; T651-K654 WeakPolarHBondContact O-CB 3.41Å; T651-K654 PolarHBondContact O-N 2.89Å; S652-K654 PolarHBondContact O-N 2.86Å; K654-H656 PolarHBondContact O-N 3.06Å; K654-C657 WeakPolarHBondContact O-CB 3.3Å; K654-C657 PolarHBondContact O-N 2.6Å; K654-T660 VanDerWaalsContact C-CG2 3.48Å; K654-T660 HydrophobicContact CB-CG2 4.01Å; K654-T660 WeakPolarHBondContact O-CG2 3.47Å; K654-T660 PolarHBondContact O-OG1 2.75Å |
| 655 | R | 61.1 | Low | 55.1 | Low | 120 Ų | 120 | 55.4 Ų | 55.4 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -14.4 | -173.1 | -154.2 | 171.8 | -174.2 | -145.2 | -3.5 | 114.2 | T651 S652 L653 T660 E667 E732 | T651-R655 WeakPolarHBondContact O-CB 3.22Å; T651-R655 PolarHBondContact O-N 3.34Å; S652-R655 PolarHBondContact O-N 3.08Å; L653-R655 PolarHBondContact O-N 3.46Å; R655-T660 WeakPolarHBondContact CA-OG1 3.07Å; R655-T660 PolarHBondContact O-OG1 3.19Å; R655-E667 IonicContact NH2-OE2 2.66Å; R655-E732 IonicContact CZ-OE1 3.84Å; R655-E732 IonicContact CZ-OE2 3.64Å; R655-E732 IonicContact NH1-OE1 2.82Å; R655-E732 PolarHBondContact NH1-OE1 3.45Å; R655-E732 IonicContact NH1-OE2 2.78Å; R655-E732 PolarHBondContact NH1-OE2 3.23Å; R655-E732 IonicContact NH2-OE1 2.69Å; R655-E732 PolarHBondContact NH2-OE1 3.03Å; R655-E732 IonicContact NH2-OE2 3.13Å; R655-E732 PolarHBondContact NH2-OE2 2.81Å |
| 656 | H | 67.5 | Low | 54.1 | Low | 28 Ų | 28 | 58.2 Ų | 58.2 | 13% | 0.13 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -103.6 | -12.9 | 174.1 | -75.3 | -62.2 | 0 | 0 | 0 | 114.6 | E455 R479 S482 L499 S652 L653 K654 | E455-H656 IonicContact OE2-CD2 2.72Å; E455-H656 IonicContact OE2-CE1 3.78Å; E455-H656 IonicContact OE2-NE2 2.78Å; E455-H656 PolarHBondContact OE2-NE2 2.64Å; R479-H656 PolarHBondContact O-CE1 2.69Å; R479-H656 VanDerWaalsContact O-CE1 3.25Å; S482-H656 VanDerWaalsContact OG-CB 3.3Å; S482-H656 WeakPolarHBondContact OG-CB 3.19Å; S482-H656 PolarHBondContact OG-ND1 2.64Å; S482-H656 PolarHBondContact OG-O 3.12Å; L499-H656 CarbonylContact C-O 3.54Å; L499-H656 VanDerWaalsContact C-O 3.22Å; L499-H656 HydrophobicContact CB-CB 3.91Å; L499-H656 WeakPolarHBondContact CB-O 3.41Å; L499-H656 HydrophobicContact CD1-CB 3.65Å; L499-H656 HydrophobicContact CG-CB 4.46Å; S652-H656 PolarHBondContact O-CD2 3.09Å; S652-H656 PolarHBondContact O-N 2.69Å; L653-H656 PolarHBondContact O-N 3.08Å; K654-H656 PolarHBondContact O-N 3.06Å |
| 657 | C | 65 | Low | 52.5 | Low | 8 Ų | 8 | 61.4 Ų | 61.4 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -77.5 | 157.2 | 178.8 | -73.6 | 0 | 0 | 0 | 0 | 112.7 | L499 C502 F504 L653 K654 N659 T660 | L499-C657 WeakPolarHBondContact O-CA 3.45Å; C502-C657 WeakPolarHBondContact O-CB 3.35Å; F504-C657 HydrophobicContact CB-CB 4.28Å; L653-C657 PolarHBondContact O-N 2.83Å; L653-C657 VanDerWaalsContact O-N 3.11Å; L653-C657 PolarHBondContact O-SG 3.25Å; K654-C657 WeakPolarHBondContact O-CB 3.3Å; K654-C657 PolarHBondContact O-N 2.6Å; C657-N659 VanDerWaalsContact C-N 3.31Å; C657-N659 PolarHBondContact O-N 2.89Å; C657-T660 PolarHBondContact O-N 2.82Å; C657-T660 PolarHBondContact O-OG1 2.84Å |
| 658 | R | 46.7 | Very low | 51.5 | Low | 117 Ų | 117 | 61.3 Ų | 61.3 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -55.4 | -40.7 | -172.2 | -179.5 | 173.7 | 166.4 | 152.6 | -5.2 | 113.3 | D144 C502 | D144-R658 IonicContact OD2-NH2 3.27Å; C502-R658 WeakPolarHBondContact O-CB 3.39Å; C502-R658 PolarHBondContact O-N 2.84Å |
| 659 | N | 43.3 | Very low | 50.9 | Low | 63 Ų | 63 | 62.5 Ų | 62.5 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -75.6 | -17.1 | -176.1 | -95.2 | -83.1 | 0 | 0 | 0 | 117 | F82 D503 C657 K661 | F82-N659 HydrophobicContact CE1-CB 3.84Å; F82-N659 HydrophobicContact CZ-CB 4.36Å; D503-N659 WeakPolarHBondContact OD1-CB 3.27Å; D503-N659 PolarHBondContact OD1-N 3.49Å; D503-N659 VanDerWaalsContact OD1-N 3.09Å; D503-N659 PolarHBondContact OD1-ND2 2.81Å; D503-N659 PolarHBondContact OD2-ND2 2.99Å; D503-N659 VanDerWaalsContact OD2-ND2 3.16Å; C657-N659 VanDerWaalsContact C-N 3.31Å; C657-N659 PolarHBondContact O-N 2.89Å; N659-K661 PolarHBondContact O-N 2.86Å; N659-K661 VanDerWaalsContact O-N 3.1Å |
| 660 | T | 41.2 | Very low | 49.8 | Very low | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -80.7 | 14.3 | -178.8 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | K654 R655 C657 A662 D663 S664 | K654-T660 VanDerWaalsContact C-CG2 3.48Å; K654-T660 HydrophobicContact CB-CG2 4.01Å; K654-T660 WeakPolarHBondContact O-CG2 3.47Å; K654-T660 PolarHBondContact O-OG1 2.75Å; R655-T660 WeakPolarHBondContact CA-OG1 3.07Å; R655-T660 PolarHBondContact O-OG1 3.19Å; C657-T660 PolarHBondContact O-N 2.82Å; C657-T660 PolarHBondContact O-OG1 2.84Å; T660-A662 PolarHBondContact O-N 2.84Å; T660-D663 WeakPolarHBondContact CG2-OD2 3.33Å; T660-D663 PolarHBondContact O-N 2.79Å; T660-D663 VanDerWaalsContact O-N 3.12Å; T660-S664 PolarHBondContact O-N 2.61Å |
| 661 | K | 38.5 | Very low | 48.7 | Very low | 156 Ų | 156 | 69.1 Ų | 69.1 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.9 | -25.2 | 165 | -82.5 | -168.6 | 169.2 | -168.2 | 0 | 112.6 | N659 S664 A665 | N659-K661 PolarHBondContact O-N 2.86Å; N659-K661 VanDerWaalsContact O-N 3.1Å; K661-S664 WeakPolarHBondContact CA-OG 3.47Å; K661-S664 PolarHBondContact O-N 3.31Å; K661-S664 PolarHBondContact O-OG 3.02Å; K661-A665 PolarHBondContact O-N 2.93Å; K661-A665 VanDerWaalsContact O-N 3.08Å |
| 662 | A | 32.9 | Very low | 48.1 | Very low | 66 Ų | 66 | 67.9 Ų | 67.9 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T660 S664 A665 T666 | T660-A662 PolarHBondContact O-N 2.84Å; A662-S664 VanDerWaalsContact C-N 3.33Å; A662-S664 PolarHBondContact O-N 2.99Å; A662-A665 WeakPolarHBondContact O-CB 3.3Å; A662-A665 PolarHBondContact O-N 2.94Å; A662-A665 VanDerWaalsContact O-N 3.12Å; A662-T666 PolarHBondContact O-N 3.33Å; A662-T666 PolarHBondContact O-OG1 3.32Å |
| 663 | D | 27.1 | Very low | 47.5 | Very low | 104 Ų | 104 | 69.1 Ų | 69.1 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.1 | -33.5 | 179.3 | -65 | -45.7 | 0 | 0 | 0 | 112.4 | T660 T666 | T660-D663 WeakPolarHBondContact CG2-OD2 3.33Å; T660-D663 PolarHBondContact O-N 2.79Å; T660-D663 VanDerWaalsContact O-N 3.12Å; D663-T666 VanDerWaalsContact O-CB 3.3Å; D663-T666 WeakPolarHBondContact O-CB 3.49Å; D663-T666 PolarHBondContact O-N 2.87Å; D663-T666 PolarHBondContact O-OG1 2.91Å |
| 664 | S | 36.2 | Very low | 46.6 | Very low | 49 Ų | 49 | 73.9 Ų | 73.9 | 34% | 0.343 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.3 | -30 | 172.4 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | T660 K661 A662 T666 E667 D668 | T660-S664 PolarHBondContact O-N 2.61Å; K661-S664 WeakPolarHBondContact CA-OG 3.47Å; K661-S664 PolarHBondContact O-N 3.31Å; K661-S664 PolarHBondContact O-OG 3.02Å; A662-S664 VanDerWaalsContact C-N 3.33Å; A662-S664 PolarHBondContact O-N 2.99Å; S664-T666 PolarHBondContact O-N 3.02Å; S664-E667 PolarHBondContact O-N 3.05Å; S664-D668 PolarHBondContact O-N 2.9Å |
| 665 | A | 37.1 | Very low | 46.2 | Very low | 50 Ų | 50 | 73.8 Ų | 73.8 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -25.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K661 A662 D668 N669 | K661-A665 PolarHBondContact O-N 2.93Å; K661-A665 VanDerWaalsContact O-N 3.08Å; A662-A665 WeakPolarHBondContact O-CB 3.3Å; A662-A665 PolarHBondContact O-N 2.94Å; A662-A665 VanDerWaalsContact O-N 3.12Å; A665-D668 PolarHBondContact O-N 2.93Å; A665-N669 WeakPolarHBondContact O-CB 3.46Å; A665-N669 PolarHBondContact O-N 2.58Å |
| 666 | T | 37.2 | Very low | 46.4 | Very low | 77 Ų | 77 | 72.4 Ų | 72.4 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | 172.5 | -40.9 | 0 | 0 | 0 | 0 | 112.9 | A662 D663 S664 L672 | A662-T666 PolarHBondContact O-N 3.33Å; A662-T666 PolarHBondContact O-OG1 3.32Å; D663-T666 VanDerWaalsContact O-CB 3.3Å; D663-T666 WeakPolarHBondContact O-CB 3.49Å; D663-T666 PolarHBondContact O-N 2.87Å; D663-T666 PolarHBondContact O-OG1 2.91Å; S664-T666 PolarHBondContact O-N 3.02Å; T666-L672 HydrophobicContact CG2-CD1 3.68Å |
| 667 | E | 37.1 | Very low | 46.7 | Very low | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -81 | -34 | 170.7 | -64.2 | -163.3 | 114.4 | 0 | 0 | 112.1 | R655 S664 N669 R673 | R655-E667 IonicContact NH2-OE2 2.66Å; S664-E667 PolarHBondContact O-N 3.05Å; E667-N669 VanDerWaalsContact C-N 3.25Å; E667-N669 PolarHBondContact O-N 3.07Å; E667-R673 PolarHBondContact O-NE 3.25Å |
| 668 | D | 41.1 | Very low | 47.1 | Very low | 105 Ų | 105 | 74.3 Ų | 74.3 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.6 | -27.5 | 175.2 | -77.3 | -43.5 | 0 | 0 | 0 | 112.4 | S664 A665 V670 R673 | S664-D668 PolarHBondContact O-N 2.9Å; A665-D668 PolarHBondContact O-N 2.93Å; D668-V670 PolarHBondContact O-N 2.82Å; D668-R673 PolarHBondContact O-NH2 3.13Å; D668-R673 IonicContact OD1-NH2 2.69Å |
| 669 | N | 47.1 | Very low | 48.5 | Very low | 62 Ų | 62 | 70.6 Ų | 70.6 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | trans | -61 | 101.9 | 179.4 | -171.3 | -22 | 0 | 0 | 0 | 112.5 | A665 E667 S671 L672 R673 | A665-N669 WeakPolarHBondContact O-CB 3.46Å; A665-N669 PolarHBondContact O-N 2.58Å; E667-N669 VanDerWaalsContact C-N 3.25Å; E667-N669 PolarHBondContact O-N 3.07Å; N669-S671 PolarHBondContact O-N 3.4Å; N669-S671 VanDerWaalsContact O-N 3.15Å; N669-S671 WeakPolarHBondContact OD1-CB 3.43Å; N669-S671 PolarHBondContact OD1-N 2.98Å; N669-S671 PolarHBondContact OD1-OG 3.09Å; N669-L672 HydrophobicContact CB-CD1 4.26Å; N669-L672 PolarHBondContact O-N 3.31Å; N669-L672 VanDerWaalsContact O-N 3.13Å; N669-R673 PolarHBondContact O-N 2.97Å | ||
| 670 | V | 52.1 | Low | 49.9 | Very low | 78 Ų | 78 | 69 Ų | 69 | 47% | 0.473 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54.4 | -35.3 | -176.9 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | D668 R673 Q674 | D668-V670 PolarHBondContact O-N 2.82Å; V670-R673 WeakPolarHBondContact O-CB 3.43Å; V670-R673 PolarHBondContact O-N 3.32Å; V670-Q674 WeakPolarHBondContact O-CG 3.39Å; V670-Q674 PolarHBondContact O-N 2.91Å |
| 671 | S | 47.5 | Very low | 51.3 | Low | 74 Ų | 74 | 70.2 Ų | 70.2 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 179.7 | -46.1 | 0 | 0 | 0 | 0 | 111.9 | N669 R673 Q674 T675 | N669-S671 PolarHBondContact O-N 3.4Å; N669-S671 VanDerWaalsContact O-N 3.15Å; N669-S671 WeakPolarHBondContact OD1-CB 3.43Å; N669-S671 PolarHBondContact OD1-N 2.98Å; N669-S671 PolarHBondContact OD1-OG 3.09Å; S671-R673 VanDerWaalsContact C-N 3.29Å; S671-R673 PolarHBondContact O-N 2.9Å; S671-Q674 WeakPolarHBondContact O-CB 3.31Å; S671-Q674 PolarHBondContact O-N 2.65Å; S671-T675 PolarHBondContact O-N 2.7Å; S671-T675 PolarHBondContact O-OG1 3.06Å |
| 672 | L | 49.3 | Very low | 53 | Low | 50 Ų | 50 | 64.1 Ų | 64.1 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68 | -30.2 | 178.7 | -68.6 | 174.3 | 0 | 0 | 0 | 112.1 | T666 N669 Q674 | T666-L672 HydrophobicContact CG2-CD1 3.68Å; N669-L672 HydrophobicContact CB-CD1 4.26Å; N669-L672 PolarHBondContact O-N 3.31Å; N669-L672 VanDerWaalsContact O-N 3.13Å; L672-Q674 PolarHBondContact O-N 2.82Å |
| 673 | R | 52.1 | Low | 54.9 | Low | 39 Ų | 39 | 61 Ų | 61 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -25.3 | 171.3 | -52.6 | -173.4 | -157.2 | 166.6 | 10.8 | 112.3 | E667 D668 N669 V670 S671 R678 C1223 K1224 | E667-R673 PolarHBondContact O-NE 3.25Å; D668-R673 PolarHBondContact O-NH2 3.13Å; D668-R673 IonicContact OD1-NH2 2.69Å; N669-R673 PolarHBondContact O-N 2.97Å; V670-R673 WeakPolarHBondContact O-CB 3.43Å; V670-R673 PolarHBondContact O-N 3.32Å; S671-R673 VanDerWaalsContact C-N 3.29Å; S671-R673 PolarHBondContact O-N 2.9Å; R673-R678 PolarHBondContact O-NH2 2.75Å; R673-C1223 PolarHBondContact NH1-O 3.28Å; R673-K1224 PolarHBondContact NH1-O 2.89Å; R673-K1224 VanDerWaalsContact NH1-O 3.15Å |
| 674 | Q | 54.5 | Low | 57.5 | Low | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -93.7 | -12.1 | -176.2 | -71.1 | 178.2 | -3.3 | 0 | 0 | 114.6 | V670 S671 L672 P823 F824 | V670-Q674 WeakPolarHBondContact O-CG 3.39Å; V670-Q674 PolarHBondContact O-N 2.91Å; S671-Q674 WeakPolarHBondContact O-CB 3.31Å; S671-Q674 PolarHBondContact O-N 2.65Å; L672-Q674 PolarHBondContact O-N 2.82Å; Q674-P823 WeakPolarHBondContact O-CB 3.49Å; Q674-F824 HydrophobicContact CG-CB 4.48Å |
| 675 | T | 55.4 | Low | 59.7 | Low | 84 Ų | 84 | 54.7 Ų | 54.7 | 52% | 0.515 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -115.4 | -31.9 | -173.1 | 53.6 | 0 | 0 | 0 | 0 | 115.5 | S671 P823 | S671-T675 PolarHBondContact O-N 2.7Å; S671-T675 PolarHBondContact O-OG1 3.06Å; T675-P823 WeakPolarHBondContact O-CG 3.3Å |
| 676 | H | 66.1 | Low | 61.9 | Low | 91 Ų | 91 | 54 Ų | 54 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -107.6 | 146.8 | -173.6 | -67.5 | -84 | 0 | 0 | 0 | 114.3 | ||
| 677 | L | 72.9 | Confident | 64.1 | Low | 31 Ų | 31 | 50.3 Ų | 50.3 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | trans | -62.1 | 131.2 | 161.6 | 171.2 | 74.5 | 0 | 0 | 0 | 109.4 | H820 I822 F1329 V1330 N1333 | L677-H820 HydrophobicContact CD1-CB 4.34Å; L677-I822 HydrophobicContact CD1-CG2 4Å; L677-F1329 HydrophobicContact CB-CD1 4.12Å; L677-F1329 HydrophobicContact CD1-CB 4.24Å; L677-F1329 HydrophobicContact CD2-CB 4.44Å; L677-V1330 HydrophobicContact CD1-CG2 4.13Å; L677-V1330 HydrophobicContact CD2-CG2 3.48Å; L677-V1330 VanDerWaalsContact CD2-CG2 3.48Å; L677-V1330 HydrophobicContact CG-CG2 4.43Å; L677-N1333 HydrophobicContact CD2-CB 3.81Å | ||
| 678 | R | 73.2 | Confident | 66.2 | Low | 44 Ų | 44 | 47.9 Ų | 47.9 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145.2 | 172.8 | -72.7 | 171.4 | -78.4 | 137.8 | -4.4 | 110.1 | R673 Y680 V821 S1225 S1227 | R673-R678 PolarHBondContact O-NH2 2.75Å; R678-Y680 HydrophobicContact CB-CE2 4.06Å; R678-Y680 PolarHBondContact NH1-OH 3.42Å; R678-Y680 VanDerWaalsContact NH1-OH 3.12Å; R678-V821 HydrophobicContact CB-CB 4.32Å; R678-V821 PolarHBondContact N-O 3.46Å; R678-V821 PolarHBondContact O-N 2.95Å; R678-S1225 PolarHBondContact NH1-OG 3.44Å; R678-S1225 VanDerWaalsContact NH1-OG 3.09Å; R678-S1227 PolarHBondContact NH2-OG 2.75Å |
| 679 | C | 75.8 | Confident | 67.8 | Low | 39 Ų | 39 | 48.4 Ų | 48.4 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 103.9 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | R681 L819 H820 | C679-R681 PolarHBondContact SG-NH2 3.42Å; C679-R681 VanDerWaalsContact SG-NH2 3.43Å; C679-L819 WeakPolarHBondContact CA-O 3.26Å; C679-H820 PolarHBondContact SG-NE2 2.71Å |
| 680 | Y | 74 | Confident | 68.9 | Low | 29 Ų | 29 | 45.5 Ų | 45.5 | 11% | 0.114 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.1 | 175.7 | -65.1 | -86.6 | 0 | 0 | 0 | 108.8 | R678 E818 L819 V821 R1228 | R678-Y680 HydrophobicContact CB-CE2 4.06Å; R678-Y680 PolarHBondContact NH1-OH 3.42Å; R678-Y680 VanDerWaalsContact NH1-OH 3.12Å; Y680-E818 CarbonylContact O-C 3.59Å; Y680-L819 PolarHBondContact N-O 2.92Å; Y680-L819 PolarHBondContact O-N 3.12Å; Y680-V821 HydrophobicContact CD2-CB 4.38Å; Y680-V821 HydrophobicContact CD2-CG2 3.63Å; Y680-V821 HydrophobicContact CE2-CB 4.2Å; Y680-V821 HydrophobicContact CE2-CG2 3.79Å; Y680-R1228 HydrophobicContact CD2-CG 4.29Å; Y680-R1228 HydrophobicContact CE2-CB 4.22Å; Y680-R1228 HydrophobicContact CE2-CG 4.24Å |
| 681 | R | 71 | Confident | 69.3 | Low | 47 Ų | 47 | 45.1 Ų | 45.1 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.5 | -172.2 | -67.6 | 177.8 | 162.2 | 85 | 13 | 109.9 | C679 D731 E732 F733 Y816 K817 E818 | C679-R681 PolarHBondContact SG-NH2 3.42Å; C679-R681 VanDerWaalsContact SG-NH2 3.43Å; R681-D731 CarbonylContact O-C 3.45Å; R681-E732 CarbonylContact O-C 3.59Å; R681-E732 VanDerWaalsContact O-CA 3.25Å; R681-E732 WeakPolarHBondContact O-CA 3.37Å; R681-E732 PolarHBondContact O-N 3.04Å; R681-F733 HydrophobicContact CB-CB 3.98Å; R681-F733 WeakPolarHBondContact CB-O 3.45Å; R681-F733 VanDerWaalsContact CD-O 3.3Å; R681-F733 WeakPolarHBondContact CD-O 3.31Å; R681-F733 PolarHBondContact O-N 3.49Å; R681-Y816 HydrophobicContact CB-CE2 4.37Å; R681-Y816 VanDerWaalsContact CD-OH 3.27Å; R681-Y816 WeakPolarHBondContact CD-OH 3.49Å; R681-Y816 PolarHBondContact NE-OH 3.09Å; R681-K817 CarbonylContact C-O 3.47Å; R681-K817 VanDerWaalsContact CA-O 3.3Å; R681-K817 WeakPolarHBondContact CA-O 3.44Å; R681-E818 HydrophobicContact CG-CG 4.27Å; R681-E818 IonicContact CZ-OE1 3.95Å; R681-E818 VanDerWaalsContact CZ-OE1 3.25Å; R681-E818 IonicContact NE-OE1 3.75Å; R681-E818 PolarHBondContact NE-OE1 2.84Å; R681-E818 IonicContact NH2-OE1 3.06Å; R681-E818 PolarHBondContact NH2-OE1 3.27Å |
| 682 | N | 72.8 | Confident | 69.7 | Low | 28 Ų | 28 | 44.7 Ų | 44.7 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.9 | -179.5 | -70.2 | 29.9 | 0 | 0 | 0 | 110.3 | F729 L730 D731 Y816 K817 | N682-F729 HydrophobicContact CB-CE2 4.26Å; N682-F729 WeakPolarHBondContact ND2-CZ 3.32Å; N682-L730 VanDerWaalsContact CA-O 3.29Å; N682-L730 WeakPolarHBondContact CA-O 3.36Å; N682-D731 PolarHBondContact ND2-OD1 3.31Å; N682-D731 PolarHBondContact OD1-O 3.04Å; N682-Y816 CarbonylContact O-C 3.58Å; N682-Y816 WeakPolarHBondContact O-CA 3.43Å; N682-K817 HydrophobicContact CB-CB 4.35Å; N682-K817 PolarHBondContact N-O 3.08Å; N682-K817 PolarHBondContact O-N 2.9Å |
| 683 | L | 74.3 | Confident | 69.9 | Low | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121 | 171.2 | 174.2 | 60.6 | 0 | 0 | 0 | 109.8 | I685 L711 F729 L730 F733 I740 I814 I815 Y816 | L683-I685 HydrophobicContact CD1-CD1 4.39Å; L683-I685 HydrophobicContact CD1-CG1 3.99Å; L683-I685 HydrophobicContact CD2-CD1 4.17Å; L683-I685 HydrophobicContact CG-CD1 4.36Å; L683-I685 HydrophobicContact CG-CG1 4.16Å; L683-L711 HydrophobicContact CD2-CD2 4.22Å; L683-F729 CarbonylContact O-C 3.55Å; L683-F729 WeakPolarHBondContact O-CA 3.49Å; L683-L730 HydrophobicContact CB-CB 4.45Å; L683-L730 HydrophobicContact CD2-CD1 4.35Å; L683-L730 PolarHBondContact N-O 3.47Å; L683-L730 PolarHBondContact O-N 3.4Å; L683-F733 HydrophobicContact CB-CB 4.22Å; L683-F733 HydrophobicContact CB-CD2 3.67Å; L683-F733 HydrophobicContact CB-CE2 4.31Å; L683-F733 HydrophobicContact CB-CG 4.1Å; L683-F733 HydrophobicContact CD2-CD2 3.54Å; L683-F733 HydrophobicContact CD2-CE2 3.31Å; L683-F733 HydrophobicContact CD2-CZ 4.2Å; L683-F733 HydrophobicContact CG-CD2 4.26Å; L683-F733 HydrophobicContact CG-CE2 4.43Å; L683-I740 HydrophobicContact CD1-CD1 3.51Å; L683-I740 HydrophobicContact CD2-CD1 3.65Å; L683-I740 HydrophobicContact CG-CD1 4.26Å; L683-I814 HydrophobicContact CD1-CG2 4.01Å; L683-I815 WeakPolarHBondContact CA-O 3.36Å; L683-Y816 HydrophobicContact CB-CD2 4.49Å |
| 684 | E | 80.9 | Confident | 69.4 | Low | 20 Ų | 20 | 48.5 Ų | 48.5 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.7 | 167.8 | -159.1 | -171.5 | 173.5 | 0 | 0 | 110.4 | K686 S727 I728 F729 I815 | E684-K686 HydrophobicContact CG-CG 4.32Å; E684-K686 WeakPolarHBondContact OE1-CE 3.35Å; E684-K686 WeakPolarHBondContact OE1-CG 3.34Å; E684-K686 IonicContact OE1-NZ 3.57Å; E684-K686 PolarHBondContact OE1-NZ 2.92Å; E684-K686 IonicContact OE2-NZ 3.43Å; E684-K686 PolarHBondContact OE2-NZ 3.45Å; E684-S727 VanDerWaalsContact OE1-CB 3.26Å; E684-S727 WeakPolarHBondContact OE1-CB 2.95Å; E684-S727 PolarHBondContact OE1-OG 3.38Å; E684-I728 CarbonylContact C-O 3.48Å; E684-I728 WeakPolarHBondContact CA-O 3.19Å; E684-F729 HydrophobicContact CB-CD2 3.89Å; E684-F729 HydrophobicContact CG-CB 4.47Å; E684-F729 HydrophobicContact CG-CD2 4Å; E684-I815 HydrophobicContact CB-CB 4.43Å; E684-I815 PolarHBondContact N-O 2.84Å; E684-I815 PolarHBondContact O-N 3.35Å |
| 685 | I | 82.1 | Confident | 68.9 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 102.7 | 173.3 | -55.7 | 176.8 | 0 | 0 | 0 | 107.8 | L683 F687 V709 I716 S727 I728 I740 V742 I812 S813 I814 | L683-I685 HydrophobicContact CD1-CD1 4.39Å; L683-I685 HydrophobicContact CD1-CG1 3.99Å; L683-I685 HydrophobicContact CD2-CD1 4.17Å; L683-I685 HydrophobicContact CG-CD1 4.36Å; L683-I685 HydrophobicContact CG-CG1 4.16Å; I685-F687 HydrophobicContact CB-CE2 4.43Å; I685-F687 HydrophobicContact CG2-CE2 3.7Å; I685-F687 HydrophobicContact CG2-CZ 3.64Å; I685-V709 HydrophobicContact CD1-CG1 3.54Å; I685-V709 HydrophobicContact CG2-CG2 4.45Å; I685-I716 HydrophobicContact CD1-CD1 4.49Å; I685-S727 CarbonylContact O-C 3.45Å; I685-S727 WeakPolarHBondContact O-CA 3.25Å; I685-I728 HydrophobicContact CB-CB 4.45Å; I685-I728 PolarHBondContact N-O 2.8Å; I685-I728 PolarHBondContact O-N 3.46Å; I685-I740 HydrophobicContact CD1-CG2 3.87Å; I685-V742 HydrophobicContact CG2-CG2 4.41Å; I685-I812 HydrophobicContact CG2-CG2 4.34Å; I685-S813 CarbonylContact C-O 3.59Å; I685-S813 WeakPolarHBondContact CA-O 3.37Å; I685-I814 HydrophobicContact CG1-CG1 4.25Å; I685-I814 HydrophobicContact CG1-CG2 4.47Å; I685-I814 HydrophobicContact CG2-CG1 4.14Å |
| 686 | K | 83.1 | Confident | 68.1 | Low | 35 Ų | 35 | 46.1 Ų | 46.1 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 137.9 | 178.2 | -65.9 | -171.8 | 176.4 | 77.2 | 0 | 110.9 | E684 I812 S813 | E684-K686 HydrophobicContact CG-CG 4.32Å; E684-K686 WeakPolarHBondContact OE1-CE 3.35Å; E684-K686 WeakPolarHBondContact OE1-CG 3.34Å; E684-K686 IonicContact OE1-NZ 3.57Å; E684-K686 PolarHBondContact OE1-NZ 2.92Å; E684-K686 IonicContact OE2-NZ 3.43Å; E684-K686 PolarHBondContact OE2-NZ 3.45Å; K686-I812 VanDerWaalsContact O-CA 3.32Å; K686-I812 WeakPolarHBondContact O-CA 3.38Å; K686-S813 PolarHBondContact N-O 3.38Å; K686-S813 PolarHBondContact O-N 3.19Å |
| 687 | F | 83.8 | Confident | 66.6 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.4 | 169 | -60 | -89 | 0 | 0 | 0 | 109.5 | I685 A690 Y707 V709 A719 V725 V726 I728 V742 I812 | I685-F687 HydrophobicContact CB-CE2 4.43Å; I685-F687 HydrophobicContact CG2-CE2 3.7Å; I685-F687 HydrophobicContact CG2-CZ 3.64Å; F687-A690 HydrophobicContact CB-CB 3.56Å; F687-A690 HydrophobicContact CG-CB 4.4Å; F687-Y707 AromaticContact CD1-CD2 3.64Å; F687-Y707 HydrophobicContact CD1-CD2 3.64Å; F687-Y707 HydrophobicContact CD1-CE2 4.16Å; F687-Y707 AromaticContact CD1-CG 3.89Å; F687-Y707 HydrophobicContact CD1-CG 3.89Å; F687-Y707 HydrophobicContact CE1-CD1 4.48Å; F687-Y707 HydrophobicContact CE1-CD2 4.07Å; F687-Y707 AromaticContact CE1-CG 3.85Å; F687-Y707 HydrophobicContact CE1-CG 3.85Å; F687-V709 HydrophobicContact CE1-CG2 4.44Å; F687-V709 HydrophobicContact CE2-CG2 4.25Å; F687-V709 HydrophobicContact CZ-CG2 3.49Å; F687-V709 VanDerWaalsContact CZ-CG2 3.49Å; F687-A719 HydrophobicContact CD1-CB 4.09Å; F687-A719 HydrophobicContact CD2-CB 4.07Å; F687-A719 HydrophobicContact CE1-CB 4.31Å; F687-A719 HydrophobicContact CE2-CB 4.3Å; F687-A719 HydrophobicContact CG-CB 3.98Å; F687-A719 HydrophobicContact CZ-CB 4.43Å; F687-V725 CarbonylContact O-C 3.03Å; F687-V725 VanDerWaalsContact O-CA 3.29Å; F687-V725 WeakPolarHBondContact O-CA 3.22Å; F687-V726 PolarHBondContact N-O 3.01Å; F687-V726 PolarHBondContact O-N 2.89Å; F687-I728 HydrophobicContact CE2-CD1 3.98Å; F687-I728 HydrophobicContact CE2-CG1 4.23Å; F687-V742 HydrophobicContact CE1-CG1 3.85Å; F687-V742 HydrophobicContact CZ-CG1 4.34Å; F687-I812 HydrophobicContact CD1-CG1 4.13Å; F687-I812 HydrophobicContact CE1-CG1 4.2Å |
| 688 | T | 80.6 | Confident | 64.7 | Low | 48 Ų | 48 | 50.9 Ų | 50.9 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 149 | 164.8 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | A690 V725 G810 Q811 | T688-A690 PolarHBondContact O-N 3.46Å; T688-V725 HydrophobicContact CG2-CG2 4.33Å; T688-G810 PolarHBondContact OG1-O 3.11Å; T688-G810 VanDerWaalsContact OG1-O 3.1Å; T688-Q811 PolarHBondContact N-O 3Å; T688-Q811 WeakPolarHBondContact OG1-CA 3.41Å; T688-Q811 PolarHBondContact OG1-O 3.11Å |
| 689 | N | 75.5 | Confident | 62.8 | Low | 116 Ų | 116 | 59.3 Ų | 59.3 | 62% | 0.62 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53 | 48.1 | -179.6 | -56.6 | -34.8 | 0 | 0 | 0 | 114.2 | G722 S724 | N689-G722 CarbonylContact C-O 3.54Å; N689-G722 VanDerWaalsContact CA-O 3.31Å; N689-G722 WeakPolarHBondContact CA-O 3.05Å; N689-G722 PolarHBondContact O-N 3.44Å; N689-S724 PolarHBondContact N-O 3.38Å |
| 690 | A | 69.2 | Low | 61 | Low | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 171 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F687 T688 A719 Y720 S724 V726 | F687-A690 HydrophobicContact CB-CB 3.56Å; F687-A690 HydrophobicContact CG-CB 4.4Å; T688-A690 PolarHBondContact O-N 3.46Å; A690-A719 HydrophobicContact CB-CB 4.16Å; A690-Y720 CarbonylContact C-O 3.58Å; A690-Y720 VanDerWaalsContact CA-O 3.23Å; A690-Y720 WeakPolarHBondContact CA-O 3.08Å; A690-S724 PolarHBondContact N-O 3.05Å; A690-S724 PolarHBondContact O-OG 2.81Å; A690-V726 WeakPolarHBondContact O-CG2 3.25Å |
| 691 | K | 61.8 | Low | 59.4 | Low | 71 Ų | 71 | 70.9 Ų | 70.9 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 125.7 | 171.2 | -160.1 | 175.5 | -171 | -176.7 | 0 | 110.3 | M693 Y720 C1094 | K691-M693 HydrophobicContact CD-CE 3.98Å; K691-M693 HydrophobicContact CD-CG 4.39Å; K691-M693 HydrophobicContact CD-SD 3.96Å; K691-M693 HydrophobicContact CG-CE 4.29Å; K691-M693 HydrophobicContact CG-CG 4.41Å; K691-Y720 PolarHBondContact N-O 3.22Å; K691-Y720 WeakPolarHBondContact O-CB 3.31Å; K691-Y720 PolarHBondContact O-N 3.11Å; K691-C1094 PolarHBondContact NZ-SG 3.33Å |
| 692 | L | 56.1 | Low | 58.2 | Low | 65 Ų | 65 | 79.4 Ų | 79.4 | 34% | 0.34 | 41% | 0.408 | S | S | . | . | trans | -75.2 | 126.6 | 160 | -77 | 174.9 | 0 | 0 | 0 | 108.1 | R718 V726 S727 I728 | L692-R718 WeakPolarHBondContact CD2-O 3.36Å; L692-V726 HydrophobicContact CB-CG1 3.87Å; L692-V726 HydrophobicContact CD1-CG1 3.56Å; L692-V726 HydrophobicContact CG-CG1 3.52Å; L692-S727 WeakPolarHBondContact CD1-O 3.25Å; L692-I728 HydrophobicContact CD1-CG1 4.05Å; L692-I728 HydrophobicContact CD2-CD1 4.41Å; L692-I728 HydrophobicContact CD2-CG1 4.13Å | ||
| 693 | M | 52.7 | Low | 57 | Low | 82 Ų | 82 | 83.5 Ų | 83.5 | 40% | 0.404 | 43% | 0.43 | S | S | . | . | trans | -115.2 | 123 | 170.3 | -67.4 | -87.8 | 66 | 0 | 0 | 108.2 | K691 T695 Y720 | K691-M693 HydrophobicContact CD-CE 3.98Å; K691-M693 HydrophobicContact CD-CG 4.39Å; K691-M693 HydrophobicContact CD-SD 3.96Å; K691-M693 HydrophobicContact CG-CE 4.29Å; K691-M693 HydrophobicContact CG-CG 4.41Å; M693-T695 PolarHBondContact O-N 2.85Å; M693-Y720 HydrophobicContact CB-CD2 4.02Å; M693-Y720 HydrophobicContact CB-CE2 4.15Å; M693-Y720 HydrophobicContact CG-CD2 4.25Å | ||
| 694 | P | 42.7 | Very low | 56.1 | Low | 87 Ų | 87 | 88.1 Ų | 88.1 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | trans | -67.4 | 124 | 173.5 | 29 | -32.9 | 0 | 0 | 0 | 108.8 | S452 | S452-P694 WeakPolarHBondContact OG-CB 3.47Š| ||
| 695 | T | 44.2 | Very low | 55.2 | Low | 53 Ų | 53 | 88 Ų | 88 | 33% | 0.325 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -75.8 | 143.4 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | M693 | M693-T695 PolarHBondContact O-N 2.85Š|
| 696 | S | 37.7 | Very low | 54.7 | Low | 81 Ų | 81 | 90.1 Ų | 90.1 | 57% | 0.566 | 47% | 0.466 | S | S | * | . | S | Bend | cis | -153.2 | 135 | -6.4 | 51 | 0 | 0 | 0 | 0 | 109.4 | ||
| 697 | S | 33.5 | Very low | 54.4 | Low | 120 Ų | 120 | 89.1 Ų | 89.1 | 84% | 0.839 | 46% | 0.461 | S | S | * | . | trans | -154.6 | -24.5 | 176 | 63.3 | 0 | 0 | 0 | 0 | 115 | K699 | S697-K699 PolarHBondContact O-N 3.42Š| ||
| 698 | S | 33 | Very low | 54.1 | Low | 101 Ų | 101 | 89.2 Ų | 89.2 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | trans | -72.9 | 120.2 | 177 | 45.9 | 0 | 0 | 0 | 0 | 111.7 | S700 | S698-S700 PolarHBondContact O-N 2.81Š| ||
| 699 | K | 35.1 | Very low | 53.8 | Low | 221 Ų | 221 | 87 Ų | 87 | 96% | 0.961 | 45% | 0.448 | S | S | * | . | trans | -72.6 | 60.7 | 163.4 | -67.7 | 177.9 | 179.7 | 172.4 | 0 | 110.6 | S697 | S697-K699 PolarHBondContact O-N 3.42Š| ||
| 700 | S | 36.8 | Very low | 53.6 | Low | 63 Ų | 63 | 82.3 Ų | 82.3 | 44% | 0.441 | 42% | 0.423 | S | S | . | . | trans | -93.8 | 127.2 | 169.9 | -173.3 | 0 | 0 | 0 | 0 | 110 | S698 D703 | S698-S700 PolarHBondContact O-N 2.81Å; S700-D703 WeakPolarHBondContact CB-OD2 3.43Å; S700-D703 PolarHBondContact OG-OD2 2.95Å | ||
| 701 | R | 40.8 | Very low | 53.6 | Low | 248 Ų | 248 | 82.5 Ų | 82.5 | 94% | 0.936 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -97.2 | 19.2 | -171.2 | -153.4 | 177.1 | -178 | -177.1 | 0.3 | 112.8 | ||
| 702 | R | 46.3 | Very low | 53.9 | Low | 226 Ų | 226 | 80.2 Ų | 80.2 | 85% | 0.853 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -145.4 | -13.6 | -169 | -65.6 | -166.7 | -175.6 | -164.1 | 3.4 | 117.7 | E704 | R702-E704 PolarHBondContact O-N 2.85Å; R702-E704 VanDerWaalsContact O-N 3.15Å |
| 703 | D | 46.9 | Very low | 54.2 | Low | 115 Ų | 115 | 78.5 Ų | 78.5 | 62% | 0.615 | 41% | 0.413 | S | S | * | . | trans | -87.4 | 87.8 | -171.9 | -57.6 | -57.3 | 0 | 0 | 0 | 112.1 | S700 | S700-D703 WeakPolarHBondContact CB-OD2 3.43Å; S700-D703 PolarHBondContact OG-OD2 2.95Å | ||
| 704 | E | 55.8 | Low | 54.2 | Low | 99 Ų | 99 | 76.2 Ų | 76.2 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | trans | -76.5 | 138.9 | 175.1 | -54.1 | -160.1 | 85.8 | 0 | 0 | 111.1 | R702 V706 K745 | R702-E704 PolarHBondContact O-N 2.85Å; R702-E704 VanDerWaalsContact O-N 3.15Å; E704-V706 PolarHBondContact O-N 3.45Å; E704-K745 IonicContact OE1-NZ 2.61Å; E704-K745 PolarHBondContact OE1-NZ 3.12Å | ||
| 705 | S | 60.6 | Low | 55.4 | Low | 18 Ų | 18 | 73.6 Ų | 73.6 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 127.2 | 175.9 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 706 | V | 71.9 | Confident | 56.4 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 26% | 0.261 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -42.7 | -177.7 | 179.3 | 0 | 0 | 0 | 0 | 111 | E704 A719 M744 K745 | E704-V706 PolarHBondContact O-N 3.45Å; V706-A719 PolarHBondContact N-O 2.87Å; V706-M744 HydrophobicContact CG1-CG 4.35Å; V706-M744 CarbonylContact O-C 3.54Å; V706-M744 WeakPolarHBondContact O-CA 3.35Å; V706-K745 PolarHBondContact O-N 2.83Å |
| 707 | Y | 77.1 | Confident | 57.8 | Low | 15 Ų | 15 | 68.2 Ų | 68.2 | 6% | 0.059 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.9 | 178.1 | -55.1 | -78.6 | 0 | 0 | 0 | 112 | F687 R718 A719 V742 F743 M744 Q811 I812 | F687-Y707 AromaticContact CD1-CD2 3.64Å; F687-Y707 HydrophobicContact CD1-CD2 3.64Å; F687-Y707 HydrophobicContact CD1-CE2 4.16Å; F687-Y707 AromaticContact CD1-CG 3.89Å; F687-Y707 HydrophobicContact CD1-CG 3.89Å; F687-Y707 HydrophobicContact CE1-CD1 4.48Å; F687-Y707 HydrophobicContact CE1-CD2 4.07Å; F687-Y707 AromaticContact CE1-CG 3.85Å; F687-Y707 HydrophobicContact CE1-CG 3.85Å; Y707-R718 CarbonylContact O-C 3.46Å; Y707-R718 VanDerWaalsContact O-CA 3.25Å; Y707-R718 WeakPolarHBondContact O-CA 3.42Å; Y707-A719 HydrophobicContact CD2-CB 4.29Å; Y707-A719 PolarHBondContact N-O 2.97Å; Y707-A719 PolarHBondContact O-N 2.73Å; Y707-V742 HydrophobicContact CD1-CG1 4.23Å; Y707-F743 CarbonylContact C-O 3.52Å; Y707-F743 VanDerWaalsContact CA-O 3.29Å; Y707-F743 WeakPolarHBondContact CA-O 3.25Å; Y707-M744 HydrophobicContact CD1-CB 4.03Å; Y707-M744 HydrophobicContact CD1-CG 4.11Å; Y707-M744 HydrophobicContact CE1-CB 4.02Å; Y707-M744 HydrophobicContact CE1-CE 3.91Å; Y707-M744 HydrophobicContact CE1-CG 3.81Å; Y707-Q811 PolarHBondContact OH-OE1 3.32Å; Y707-I812 HydrophobicContact CD1-CD1 4.14Å; Y707-I812 HydrophobicContact CE1-CD1 3.97Å; Y707-I812 HydrophobicContact CE1-CG1 4.37Å |
| 708 | S | 77.6 | Confident | 59.5 | Low | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126 | 168.2 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | E715 G717 F743 R751 | S708-E715 WeakPolarHBondContact CB-OE1 3.04Å; S708-G717 WeakPolarHBondContact CA-O 3.45Å; S708-F743 PolarHBondContact N-O 3.28Å; S708-F743 PolarHBondContact O-N 3Å; S708-R751 PolarHBondContact OG-NE 2.89Å; S708-R751 PolarHBondContact OG-NH1 3.08Å; S708-R751 PolarHBondContact OG-NH2 3.43Å |
| 709 | V | 75.7 | Confident | 61.3 | Low | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.1 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | I685 F687 E715 I716 G717 I728 I740 V742 | I685-V709 HydrophobicContact CD1-CG1 3.54Å; I685-V709 HydrophobicContact CG2-CG2 4.45Å; F687-V709 HydrophobicContact CE1-CG2 4.44Å; F687-V709 HydrophobicContact CE2-CG2 4.25Å; F687-V709 HydrophobicContact CZ-CG2 3.49Å; F687-V709 VanDerWaalsContact CZ-CG2 3.49Å; V709-E715 CarbonylContact O-C 3.39Å; V709-E715 WeakPolarHBondContact O-CA 3.4Å; V709-I716 HydrophobicContact CB-CG1 3.85Å; V709-I716 HydrophobicContact CG1-CD1 3.86Å; V709-I716 HydrophobicContact CG1-CG1 3.64Å; V709-I716 PolarHBondContact O-N 3.11Å; V709-G717 PolarHBondContact N-O 3.38Å; V709-I728 HydrophobicContact CG2-CD1 3.96Å; V709-I740 HydrophobicContact CG1-CG2 4.11Å; V709-V742 HydrophobicContact CG1-CG2 4.25Å; V709-V742 HydrophobicContact CG2-CG1 4.44Å; V709-V742 HydrophobicContact CG2-CG2 4.16Å |
| 710 | N | 71.2 | Confident | 63 | Low | 17 Ų | 17 | 53.6 Ų | 53.6 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 150.7 | 171.4 | -65.3 | -0.1 | 0 | 0 | 0 | 111.1 | G713 F714 E715 I740 E741 F743 | N710-G713 PolarHBondContact ND2-O 2.91Å; N710-F714 CarbonylContact C-O 3.54Å; N710-F714 VanDerWaalsContact CA-O 3.25Å; N710-F714 WeakPolarHBondContact CA-O 3.46Å; N710-E715 VanDerWaalsContact OD1-CA 3.23Å; N710-E715 WeakPolarHBondContact OD1-CA 3.48Å; N710-E715 WeakPolarHBondContact OD1-CB 3.42Å; N710-E715 PolarHBondContact OD1-N 3.28Å; N710-I740 WeakPolarHBondContact O-CA 3.43Å; N710-E741 HydrophobicContact CB-CB 4.3Å; N710-E741 PolarHBondContact N-O 3.1Å; N710-E741 PolarHBondContact O-N 2.83Å; N710-F743 HydrophobicContact CB-CE2 4.32Å; N710-F743 VanDerWaalsContact ND2-CE2 3.33Å; N710-F743 WeakPolarHBondContact ND2-CE2 3.48Å |
| 711 | L | 67.5 | Low | 64.6 | Low | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119.9 | 161.1 | -64.4 | 177.1 | 0 | 0 | 0 | 108.4 | L683 G713 F714 I716 F733 F737 K739 I740 | L683-L711 HydrophobicContact CD2-CD2 4.22Å; L711-G713 PolarHBondContact O-N 3.25Å; L711-F714 PolarHBondContact N-O 3.09Å; L711-F714 WeakPolarHBondContact O-CB 3.46Å; L711-F714 PolarHBondContact O-N 3.42Å; L711-I716 HydrophobicContact CB-CG2 4.2Å; L711-I716 HydrophobicContact CD1-CD1 4.08Å; L711-I716 HydrophobicContact CD1-CG2 3.69Å; L711-I716 HydrophobicContact CD2-CD1 4.37Å; L711-I716 HydrophobicContact CG-CD1 3.96Å; L711-I716 HydrophobicContact CG-CG1 4.43Å; L711-I716 HydrophobicContact CG-CG2 3.69Å; L711-F733 HydrophobicContact CD1-CE2 3.62Å; L711-F733 HydrophobicContact CD1-CZ 4.1Å; L711-F733 HydrophobicContact CD2-CE2 4Å; L711-F733 HydrophobicContact CD2-CZ 4.13Å; L711-F733 HydrophobicContact CG-CE2 4.49Å; L711-F737 HydrophobicContact CB-CD1 4.08Å; L711-F737 HydrophobicContact CB-CE1 4.46Å; L711-F737 HydrophobicContact CD1-CD1 4.48Å; L711-F737 HydrophobicContact CD1-CG 4.48Å; L711-K739 CarbonylContact C-O 3.57Å; L711-K739 WeakPolarHBondContact CA-O 3.43Å; L711-I740 HydrophobicContact CD2-CB 4.13Å; L711-I740 HydrophobicContact CD2-CD1 4.16Å; L711-I740 HydrophobicContact CD2-CG1 3.65Å; L711-I740 HydrophobicContact CD2-CG2 3.97Å |
| 712 | D | 68.3 | Low | 66 | Low | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 31.8 | -175.1 | -61.3 | -54.8 | 0 | 0 | 0 | 114.5 | A640 F737 K738 K739 | A640-D712 HydrophobicContact CB-CB 3.45Å; A640-D712 VanDerWaalsContact CB-CB 3.45Å; A640-D712 PolarHBondContact N-O 2.71Å; D712-F737 VanDerWaalsContact OD2-CA 3.25Å; D712-F737 WeakPolarHBondContact OD2-CA 3.47Å; D712-F737 WeakPolarHBondContact OD2-CD1 3.13Å; D712-K738 WeakPolarHBondContact OD1-CB 3.28Å; D712-K738 PolarHBondContact OD1-N 3.4Å; D712-K738 PolarHBondContact OD2-N 3.15Å; D712-K739 PolarHBondContact N-O 2.96Å; D712-K739 WeakPolarHBondContact OD1-CB 3.45Å; D712-K739 PolarHBondContact OD1-N 3.3Å |
| 713 | G | 63.5 | Low | 66.9 | Low | 30 Ų | 30 | 39.4 Ų | 39.4 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.9 | -10.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N710 L711 | N710-G713 PolarHBondContact ND2-O 2.91Å; L711-G713 PolarHBondContact O-N 3.25Å |
| 714 | F | 53 | Low | 67.8 | Low | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.7 | -173.8 | -58.8 | -59.9 | 0 | 0 | 0 | 114.1 | A640 W642 V645 N710 L711 I716 | A640-F714 HydrophobicContact CB-CD2 4.46Å; A640-F714 HydrophobicContact CB-CE2 3.68Å; A640-F714 WeakPolarHBondContact O-CE2 3.22Å; A640-F714 VanDerWaalsContact O-CZ 3.25Å; A640-F714 WeakPolarHBondContact O-CZ 3.45Å; W642-F714 HydrophobicContact CH2-CE1 4.39Å; W642-F714 HydrophobicContact CZ3-CE1 4.48Å; V645-F714 HydrophobicContact CG1-CD1 4.42Å; V645-F714 HydrophobicContact CG2-CD1 3.57Å; V645-F714 HydrophobicContact CG2-CD2 3.8Å; V645-F714 HydrophobicContact CG2-CE1 3.19Å; V645-F714 HydrophobicContact CG2-CE2 3.38Å; V645-F714 HydrophobicContact CG2-CG 3.88Å; V645-F714 HydrophobicContact CG2-CZ 3.09Å; N710-F714 CarbonylContact C-O 3.54Å; N710-F714 VanDerWaalsContact CA-O 3.25Å; N710-F714 WeakPolarHBondContact CA-O 3.46Å; L711-F714 PolarHBondContact N-O 3.09Å; L711-F714 WeakPolarHBondContact O-CB 3.46Å; L711-F714 PolarHBondContact O-N 3.42Å; F714-I716 WeakPolarHBondContact O-CG2 3.33Å; F714-I716 PolarHBondContact O-N 3.2Å; F714-I716 VanDerWaalsContact O-N 3.16Å |
| 715 | E | 67.7 | Low | 68.5 | Low | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 111.6 | -175.3 | -159.7 | -176.8 | -111.7 | 0 | 0 | 112.2 | H457 S708 V709 N710 R718 R751 | H457-E715 VanDerWaalsContact CE1-C 3.45Å; H457-E715 WeakPolarHBondContact CE1-CB 3.5Å; H457-E715 VanDerWaalsContact CE1-CD 3.41Å; H457-E715 WeakPolarHBondContact CE1-CG 3.23Å; H457-E715 PolarHBondContact CE1-O 3.17Å; H457-E715 IonicContact CE1-OE2 2.64Å; H457-E715 PolarHBondContact CE1-OE2 3.34Å; H457-E715 PolarHBondContact NE2-O 3.03Å; H457-E715 VanDerWaalsContact NE2-O 3.14Å; S708-E715 WeakPolarHBondContact CB-OE1 3.04Å; V709-E715 CarbonylContact O-C 3.39Å; V709-E715 WeakPolarHBondContact O-CA 3.4Å; N710-E715 VanDerWaalsContact OD1-CA 3.23Å; N710-E715 WeakPolarHBondContact OD1-CA 3.48Å; N710-E715 WeakPolarHBondContact OD1-CB 3.42Å; N710-E715 PolarHBondContact OD1-N 3.28Å; E715-R718 VanDerWaalsContact CD-NE 3.28Å; E715-R718 IonicContact OE1-CZ 2.79Å; E715-R718 IonicContact OE1-NE 3.7Å; E715-R718 PolarHBondContact OE1-NE 3.09Å; E715-R718 IonicContact OE1-NH2 2.75Å; E715-R718 IonicContact OE2-CZ 3.87Å; E715-R718 IonicContact OE2-NE 2.82Å; E715-R718 PolarHBondContact OE2-NE 2.98Å; E715-R718 IonicContact OE2-NH2 3.76Å; E715-R718 PolarHBondContact OE2-NH2 2.87Å; E715-R751 IonicContact OE1-CZ 3.43Å; E715-R751 VanDerWaalsContact OE1-CZ 3.24Å; E715-R751 IonicContact OE1-NH1 2.67Å; E715-R751 PolarHBondContact OE1-NH1 3.46Å; E715-R751 IonicContact OE1-NH2 3.86Å; E715-R751 PolarHBondContact OE1-NH2 2.89Å |
| 716 | I | 65.3 | Low | 68.9 | Low | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -19 | -179.9 | 67.5 | 163.6 | 0 | 0 | 0 | 113.6 | H457 I685 V709 L711 F714 | H457-I716 WeakPolarHBondContact NE2-CA 3.34Å; H457-I716 PolarHBondContact NE2-N 2.86Å; H457-I716 PolarHBondContact NE2-O 3.04Å; I685-I716 HydrophobicContact CD1-CD1 4.49Å; V709-I716 HydrophobicContact CB-CG1 3.85Å; V709-I716 HydrophobicContact CG1-CD1 3.86Å; V709-I716 HydrophobicContact CG1-CG1 3.64Å; V709-I716 PolarHBondContact O-N 3.11Å; L711-I716 HydrophobicContact CB-CG2 4.2Å; L711-I716 HydrophobicContact CD1-CD1 4.08Å; L711-I716 HydrophobicContact CD1-CG2 3.69Å; L711-I716 HydrophobicContact CD2-CD1 4.37Å; L711-I716 HydrophobicContact CG-CD1 3.96Å; L711-I716 HydrophobicContact CG-CG1 4.43Å; L711-I716 HydrophobicContact CG-CG2 3.69Å; F714-I716 WeakPolarHBondContact O-CG2 3.33Å; F714-I716 PolarHBondContact O-N 3.2Å; F714-I716 VanDerWaalsContact O-N 3.16Å |
| 717 | G | 65.4 | Low | 68.9 | Low | 8 Ų | 8 | 36.2 Ų | 36.2 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 163 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H457 S708 V709 | H457-G717 WeakPolarHBondContact NE2-CA 3.22Å; H457-G717 PolarHBondContact NE2-N 3.11Å; S708-G717 WeakPolarHBondContact CA-O 3.45Å; V709-G717 PolarHBondContact N-O 3.38Å |
| 718 | R | 70.2 | Confident | 68.6 | Low | 90 Ų | 90 | 36.7 Ų | 36.7 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133 | 175.9 | -62.8 | -175.7 | -172 | 166.1 | 7.9 | 110.4 | L692 Y707 E715 Y720 | L692-R718 WeakPolarHBondContact CD2-O 3.36Å; Y707-R718 CarbonylContact O-C 3.46Å; Y707-R718 VanDerWaalsContact O-CA 3.25Å; Y707-R718 WeakPolarHBondContact O-CA 3.42Å; E715-R718 VanDerWaalsContact CD-NE 3.28Å; E715-R718 IonicContact OE1-CZ 2.79Å; E715-R718 IonicContact OE1-NE 3.7Å; E715-R718 PolarHBondContact OE1-NE 3.09Å; E715-R718 IonicContact OE1-NH2 2.75Å; E715-R718 IonicContact OE2-CZ 3.87Å; E715-R718 IonicContact OE2-NE 2.82Å; E715-R718 PolarHBondContact OE2-NE 2.98Å; E715-R718 IonicContact OE2-NH2 3.76Å; E715-R718 PolarHBondContact OE2-NH2 2.87Å; R718-Y720 HydrophobicContact CB-CE2 4.41Å |
| 719 | A | 70.3 | Confident | 68.2 | Low | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F687 A690 V706 Y707 | F687-A719 HydrophobicContact CD1-CB 4.09Å; F687-A719 HydrophobicContact CD2-CB 4.07Å; F687-A719 HydrophobicContact CE1-CB 4.31Å; F687-A719 HydrophobicContact CE2-CB 4.3Å; F687-A719 HydrophobicContact CG-CB 3.98Å; F687-A719 HydrophobicContact CZ-CB 4.43Å; A690-A719 HydrophobicContact CB-CB 4.16Å; V706-A719 PolarHBondContact N-O 2.87Å; Y707-A719 HydrophobicContact CD2-CB 4.29Å; Y707-A719 PolarHBondContact N-O 2.97Å; Y707-A719 PolarHBondContact O-N 2.73Å |
| 720 | Y | 71.9 | Confident | 67.6 | Low | 44 Ų | 44 | 42.9 Ų | 42.9 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 166.3 | 179.9 | -60.5 | -95.2 | 0 | 0 | 0 | 110 | A690 K691 M693 R718 | A690-Y720 CarbonylContact C-O 3.58Å; A690-Y720 VanDerWaalsContact CA-O 3.23Å; A690-Y720 WeakPolarHBondContact CA-O 3.08Å; K691-Y720 PolarHBondContact N-O 3.22Å; K691-Y720 WeakPolarHBondContact O-CB 3.31Å; K691-Y720 PolarHBondContact O-N 3.11Å; M693-Y720 HydrophobicContact CB-CD2 4.02Å; M693-Y720 HydrophobicContact CB-CE2 4.15Å; M693-Y720 HydrophobicContact CG-CD2 4.25Å; R718-Y720 HydrophobicContact CB-CE2 4.41Å |
| 721 | S | 69.1 | Low | 66.7 | Low | 94 Ų | 94 | 44.7 Ų | 44.7 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 140.4 | 173.8 | -174 | 0 | 0 | 0 | 0 | 111.1 | ||
| 722 | G | 70.2 | Confident | 66.4 | Low | 26 Ų | 26 | 47 Ų | 47 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | trans | -167.7 | 179.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N689 | N689-G722 CarbonylContact C-O 3.54Å; N689-G722 VanDerWaalsContact CA-O 3.31Å; N689-G722 WeakPolarHBondContact CA-O 3.05Å; N689-G722 PolarHBondContact O-N 3.44Å | ||
| 723 | S | 65.7 | Low | 65.9 | Low | 119 Ų | 119 | 46.1 Ų | 46.1 | 83% | 0.832 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -113.4 | 21.4 | -179.9 | 63 | 0 | 0 | 0 | 0 | 112.5 | ||
| 724 | S | 66.7 | Low | 65.3 | Low | 44 Ų | 44 | 48 Ų | 48 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 154.3 | -169.6 | 39.2 | 0 | 0 | 0 | 0 | 111.5 | N689 A690 | N689-S724 PolarHBondContact N-O 3.38Å; A690-S724 PolarHBondContact N-O 3.05Å; A690-S724 PolarHBondContact O-OG 2.81Å |
| 725 | V | 68.7 | Low | 65.3 | Low | 99 Ų | 99 | 53 Ų | 53 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 134.6 | 164.1 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | F687 T688 | F687-V725 CarbonylContact O-C 3.03Å; F687-V725 VanDerWaalsContact O-CA 3.29Å; F687-V725 WeakPolarHBondContact O-CA 3.22Å; T688-V725 HydrophobicContact CG2-CG2 4.33Å |
| 726 | V | 70.4 | Confident | 64.5 | Low | 30 Ų | 30 | 53.6 Ų | 53.6 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 134.2 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | F687 A690 L692 | F687-V726 PolarHBondContact N-O 3.01Å; F687-V726 PolarHBondContact O-N 2.89Å; A690-V726 WeakPolarHBondContact O-CG2 3.25Å; L692-V726 HydrophobicContact CB-CG1 3.87Å; L692-V726 HydrophobicContact CD1-CG1 3.56Å; L692-V726 HydrophobicContact CG-CG1 3.52Å |
| 727 | S | 72.1 | Confident | 64.3 | Low | 34 Ų | 34 | 53.9 Ų | 53.9 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 140.1 | 175.8 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | E684 I685 L692 | E684-S727 VanDerWaalsContact OE1-CB 3.26Å; E684-S727 WeakPolarHBondContact OE1-CB 2.95Å; E684-S727 PolarHBondContact OE1-OG 3.38Å; I685-S727 CarbonylContact O-C 3.45Å; I685-S727 WeakPolarHBondContact O-CA 3.25Å; L692-S727 WeakPolarHBondContact CD1-O 3.25Å |
| 728 | I | 70.6 | Confident | 64.3 | Low | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.5 | 149 | -61.7 | 172.7 | 0 | 0 | 0 | 106.1 | E684 I685 F687 L692 V709 | E684-I728 CarbonylContact C-O 3.48Å; E684-I728 WeakPolarHBondContact CA-O 3.19Å; I685-I728 HydrophobicContact CB-CB 4.45Å; I685-I728 PolarHBondContact N-O 2.8Å; I685-I728 PolarHBondContact O-N 3.46Å; F687-I728 HydrophobicContact CE2-CD1 3.98Å; F687-I728 HydrophobicContact CE2-CG1 4.23Å; L692-I728 HydrophobicContact CD1-CG1 4.05Å; L692-I728 HydrophobicContact CD2-CD1 4.41Å; L692-I728 HydrophobicContact CD2-CG1 4.13Å; V709-I728 HydrophobicContact CG2-CD1 3.96Å |
| 729 | F | 68.8 | Low | 64.7 | Low | 97 Ų | 97 | 57.8 Ų | 57.8 | 43% | 0.425 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139.1 | -177.2 | -178.9 | -110.3 | 0 | 0 | 0 | 111.8 | N682 L683 E684 D731 | N682-F729 HydrophobicContact CB-CE2 4.26Å; N682-F729 WeakPolarHBondContact ND2-CZ 3.32Å; L683-F729 CarbonylContact O-C 3.55Å; L683-F729 WeakPolarHBondContact O-CA 3.49Å; E684-F729 HydrophobicContact CB-CD2 3.89Å; E684-F729 HydrophobicContact CG-CB 4.47Å; E684-F729 HydrophobicContact CG-CD2 4Å; F729-D731 HydrophobicContact CE1-CB 3.72Å; F729-D731 HydrophobicContact CZ-CB 4.1Å; F729-D731 WeakPolarHBondContact CZ-OD1 3.47Å |
| 730 | L | 62.3 | Low | 65.2 | Low | 36 Ų | 36 | 57.7 Ų | 57.7 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 109.8 | 178.6 | -61.9 | 169.3 | 0 | 0 | 0 | 107.9 | N682 L683 E732 F733 | N682-L730 VanDerWaalsContact CA-O 3.29Å; N682-L730 WeakPolarHBondContact CA-O 3.36Å; L683-L730 HydrophobicContact CB-CB 4.45Å; L683-L730 HydrophobicContact CD2-CD1 4.35Å; L683-L730 PolarHBondContact N-O 3.47Å; L683-L730 PolarHBondContact O-N 3.4Å; L730-E732 PolarHBondContact O-N 3.34Å; L730-F733 HydrophobicContact CD1-CD2 3.98Å |
| 731 | D | 53.9 | Low | 65.9 | Low | 56 Ų | 56 | 57.3 Ų | 57.3 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -81 | 0.9 | -178.3 | -158.8 | 53.9 | 0 | 0 | 0 | 113.6 | R681 N682 F729 R1228 | R681-D731 CarbonylContact O-C 3.45Å; N682-D731 PolarHBondContact ND2-OD1 3.31Å; N682-D731 PolarHBondContact OD1-O 3.04Å; F729-D731 HydrophobicContact CE1-CB 3.72Å; F729-D731 HydrophobicContact CZ-CB 4.1Å; F729-D731 WeakPolarHBondContact CZ-OD1 3.47Å; D731-R1228 IonicContact OD1-NH2 3.19Å; D731-R1228 PolarHBondContact OD1-NH2 2.87Å; D731-R1228 IonicContact OD2-CZ 3.24Å; D731-R1228 IonicContact OD2-NH1 2.71Å; D731-R1228 IonicContact OD2-NH2 2.83Å; D731-R1228 PolarHBondContact OD2-NH2 3.49Å |
| 732 | E | 60.5 | Low | 66.7 | Low | 51 Ų | 51 | 52.9 Ų | 52.9 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -152.9 | 71.4 | 179.2 | -64.7 | 176.6 | 127.2 | 0 | 0 | 109.4 | R479 R655 R681 L730 | R479-E732 IonicContact CZ-OE2 2.77Å; R479-E732 VanDerWaalsContact CZ-OE2 3.3Å; R479-E732 IonicContact NH1-OE2 3.93Å; R479-E732 PolarHBondContact NH1-OE2 2.92Å; R479-E732 IonicContact NH2-OE2 3.18Å; R479-E732 PolarHBondContact NH2-OE2 2.88Å; R655-E732 IonicContact CZ-OE1 3.84Å; R655-E732 IonicContact CZ-OE2 3.64Å; R655-E732 IonicContact NH1-OE1 2.82Å; R655-E732 PolarHBondContact NH1-OE1 3.45Å; R655-E732 IonicContact NH1-OE2 2.78Å; R655-E732 PolarHBondContact NH1-OE2 3.23Å; R655-E732 IonicContact NH2-OE1 2.69Å; R655-E732 PolarHBondContact NH2-OE1 3.03Å; R655-E732 IonicContact NH2-OE2 3.13Å; R655-E732 PolarHBondContact NH2-OE2 2.81Å; R681-E732 CarbonylContact O-C 3.59Å; R681-E732 VanDerWaalsContact O-CA 3.25Å; R681-E732 WeakPolarHBondContact O-CA 3.37Å; R681-E732 PolarHBondContact O-N 3.04Å; L730-E732 PolarHBondContact O-N 3.34Å |
| 733 | F | 58.3 | Low | 67.3 | Low | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 124 | 177.1 | -173.8 | -93.7 | 0 | 0 | 0 | 110.6 | R681 L683 L711 L730 F737 I759 Y816 | R681-F733 HydrophobicContact CB-CB 3.98Å; R681-F733 WeakPolarHBondContact CB-O 3.45Å; R681-F733 VanDerWaalsContact CD-O 3.3Å; R681-F733 WeakPolarHBondContact CD-O 3.31Å; R681-F733 PolarHBondContact O-N 3.49Å; L683-F733 HydrophobicContact CB-CB 4.22Å; L683-F733 HydrophobicContact CB-CD2 3.67Å; L683-F733 HydrophobicContact CB-CE2 4.31Å; L683-F733 HydrophobicContact CB-CG 4.1Å; L683-F733 HydrophobicContact CD2-CD2 3.54Å; L683-F733 HydrophobicContact CD2-CE2 3.31Å; L683-F733 HydrophobicContact CD2-CZ 4.2Å; L683-F733 HydrophobicContact CG-CD2 4.26Å; L683-F733 HydrophobicContact CG-CE2 4.43Å; L711-F733 HydrophobicContact CD1-CE2 3.62Å; L711-F733 HydrophobicContact CD1-CZ 4.1Å; L711-F733 HydrophobicContact CD2-CE2 4Å; L711-F733 HydrophobicContact CD2-CZ 4.13Å; L711-F733 HydrophobicContact CG-CE2 4.49Å; L730-F733 HydrophobicContact CD1-CD2 3.98Å; F733-F737 HydrophobicContact CE1-CB 3.81Å; F733-F737 AromaticContact CE1-CD2 3.99Å; F733-F737 HydrophobicContact CE1-CD2 3.99Å; F733-F737 HydrophobicContact CE1-CG 4.32Å; F733-F737 HydrophobicContact CE2-CD2 4.4Å; F733-F737 HydrophobicContact CZ-CB 3.61Å; F733-F737 AromaticContact CZ-CD2 3.78Å; F733-F737 HydrophobicContact CZ-CD2 3.78Å; F733-F737 AromaticContact CZ-CG 3.93Å; F733-F737 HydrophobicContact CZ-CG 3.93Å; F733-I759 HydrophobicContact CE1-CD1 3.74Å; F733-I759 HydrophobicContact CZ-CD1 3.71Å; F733-Y816 HydrophobicContact CB-CE2 4.36Å; F733-Y816 HydrophobicContact CD1-CD2 4.36Å; F733-Y816 AromaticContact CD1-CE2 3.58Å; F733-Y816 HydrophobicContact CD1-CE2 3.58Å; F733-Y816 HydrophobicContact CE1-CE2 4.13Å; F733-Y816 HydrophobicContact CG-CE2 4.13Å |
| 734 | P | 49.6 | Very low | 68 | Low | 68 Ų | 68 | 49.7 Ų | 49.7 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 145.8 | -177.2 | -20 | 32.1 | 0 | 0 | 0 | 112.6 | F737 | P734-F737 HydrophobicContact CB-CD2 4.32Å; P734-F737 HydrophobicContact CB-CE2 3.93Å; P734-F737 HydrophobicContact CG-CE2 4.03Å |
| 735 | F | 54.2 | Low | 68.2 | Low | 140 Ų | 140 | 50.7 Ų | 50.7 | 61% | 0.614 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 151.5 | 170.4 | -175.9 | -111.1 | 0 | 0 | 0 | 111.2 | W597 | W597-F735 HydrophobicContact CH2-CE1 4.44Š|
| 736 | G | 50.9 | Low | 67.6 | Low | 45 Ų | 45 | 51.6 Ų | 51.6 | 46% | 0.464 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | -18.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 737 | F | 60.5 | Low | 66.7 | Low | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | trans | -68.2 | 139.7 | 169.1 | -67.8 | -71.9 | 0 | 0 | 0 | 110.7 | I644 R648 L711 D712 F733 P734 I759 | I644-F737 HydrophobicContact CG2-CE1 3.79Å; I644-F737 HydrophobicContact CG2-CZ 4.32Å; R648-F737 VanDerWaalsContact CD-CZ 3.48Å; R648-F737 HydrophobicContact CG-CZ 4.12Å; L711-F737 HydrophobicContact CB-CD1 4.08Å; L711-F737 HydrophobicContact CB-CE1 4.46Å; L711-F737 HydrophobicContact CD1-CD1 4.48Å; L711-F737 HydrophobicContact CD1-CG 4.48Å; D712-F737 VanDerWaalsContact OD2-CA 3.25Å; D712-F737 WeakPolarHBondContact OD2-CA 3.47Å; D712-F737 WeakPolarHBondContact OD2-CD1 3.13Å; F733-F737 HydrophobicContact CE1-CB 3.81Å; F733-F737 AromaticContact CE1-CD2 3.99Å; F733-F737 HydrophobicContact CE1-CD2 3.99Å; F733-F737 HydrophobicContact CE1-CG 4.32Å; F733-F737 HydrophobicContact CE2-CD2 4.4Å; F733-F737 HydrophobicContact CZ-CB 3.61Å; F733-F737 AromaticContact CZ-CD2 3.78Å; F733-F737 HydrophobicContact CZ-CD2 3.78Å; F733-F737 AromaticContact CZ-CG 3.93Å; F733-F737 HydrophobicContact CZ-CG 3.93Å; P734-F737 HydrophobicContact CB-CD2 4.32Å; P734-F737 HydrophobicContact CB-CE2 3.93Å; P734-F737 HydrophobicContact CG-CE2 4.03Å; F737-I759 HydrophobicContact CB-CD1 4.25Å | ||
| 738 | K | 66.3 | Low | 65.8 | Low | 135 Ų | 135 | 62.5 Ų | 62.5 | 59% | 0.587 | 31% | 0.308 | S | S | * | . | trans | -109 | -39.8 | -171.4 | -56.3 | -173.3 | -179.3 | 178.3 | 0 | 112.9 | D712 D758 I759 V760 | D712-K738 WeakPolarHBondContact OD1-CB 3.28Å; D712-K738 PolarHBondContact OD1-N 3.4Å; D712-K738 PolarHBondContact OD2-N 3.15Å; K738-D758 CarbonylContact O-C 3.57Å; K738-D758 WeakPolarHBondContact O-CA 3.39Å; K738-I759 PolarHBondContact O-N 3.37Å; K738-V760 HydrophobicContact CB-CG2 4.14Å; K738-V760 HydrophobicContact CG-CG2 4.07Å | ||
| 739 | K | 78.2 | Confident | 65 | Low | 45 Ų | 45 | 73 Ų | 73 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142.2 | -172.2 | -167.1 | 175.6 | -169.8 | -160.6 | 0 | 112.5 | L711 D712 E741 D756 F757 D758 | L711-K739 CarbonylContact C-O 3.57Å; L711-K739 WeakPolarHBondContact CA-O 3.43Å; D712-K739 PolarHBondContact N-O 2.96Å; D712-K739 WeakPolarHBondContact OD1-CB 3.45Å; D712-K739 PolarHBondContact OD1-N 3.3Å; K739-E741 HydrophobicContact CD-CG 3.93Å; K739-E741 WeakPolarHBondContact CE-OE1 3.43Å; K739-E741 HydrophobicContact CG-CG 3.99Å; K739-E741 IonicContact NZ-OE1 3.87Å; K739-E741 PolarHBondContact NZ-OE1 3.18Å; K739-D756 VanDerWaalsContact CE-CB 3.46Å; K739-D756 WeakPolarHBondContact CE-OD2 3.39Å; K739-D756 IonicContact NZ-OD2 3.44Å; K739-D756 PolarHBondContact NZ-OD2 2.7Å; K739-D756 VanDerWaalsContact NZ-OD2 3.1Å; K739-F757 CarbonylContact C-O 3.56Å; K739-F757 WeakPolarHBondContact CA-O 3.13Å; K739-D758 WeakPolarHBondContact CD-OD1 3.33Å; K739-D758 VanDerWaalsContact CG-OD1 3.27Å; K739-D758 WeakPolarHBondContact CG-OD1 3.02Å |
| 740 | I | 81.3 | Confident | 64.4 | Low | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.7 | 169.2 | -43.8 | -174.3 | 0 | 0 | 0 | 107.6 | L683 I685 V709 N710 L711 D756 F757 I759 I814 | L683-I740 HydrophobicContact CD1-CD1 3.51Å; L683-I740 HydrophobicContact CD2-CD1 3.65Å; L683-I740 HydrophobicContact CG-CD1 4.26Å; I685-I740 HydrophobicContact CD1-CG2 3.87Å; V709-I740 HydrophobicContact CG1-CG2 4.11Å; N710-I740 WeakPolarHBondContact O-CA 3.43Å; L711-I740 HydrophobicContact CD2-CB 4.13Å; L711-I740 HydrophobicContact CD2-CD1 4.16Å; L711-I740 HydrophobicContact CD2-CG1 3.65Å; L711-I740 HydrophobicContact CD2-CG2 3.97Å; I740-D756 CarbonylContact O-C 3.53Å; I740-D756 WeakPolarHBondContact O-CA 3.4Å; I740-F757 HydrophobicContact CB-CB 4.23Å; I740-F757 HydrophobicContact CD1-CD1 3.84Å; I740-F757 HydrophobicContact CD1-CE1 4.45Å; I740-F757 HydrophobicContact CG1-CD1 4.14Å; I740-F757 PolarHBondContact N-O 3.06Å; I740-F757 PolarHBondContact O-N 2.75Å; I740-I759 HydrophobicContact CD1-CD1 4.09Å; I740-I759 HydrophobicContact CD1-CG1 4.24Å; I740-I759 HydrophobicContact CG1-CD1 3.87Å; I740-I759 HydrophobicContact CG1-CG1 4.09Å; I740-I814 HydrophobicContact CB-CD1 4.41Å; I740-I814 HydrophobicContact CD1-CG2 3.83Å; I740-I814 HydrophobicContact CG2-CD1 4.06Å |
| 741 | E | 85.3 | Confident | 64.5 | Low | 36 Ų | 36 | 79.7 Ų | 79.7 | 17% | 0.168 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 113.5 | 179.8 | -61.6 | -171.9 | 136.9 | 0 | 0 | 110.9 | N710 K739 F743 L753 M755 D756 | N710-E741 HydrophobicContact CB-CB 4.3Å; N710-E741 PolarHBondContact N-O 3.1Å; N710-E741 PolarHBondContact O-N 2.83Å; K739-E741 HydrophobicContact CD-CG 3.93Å; K739-E741 WeakPolarHBondContact CE-OE1 3.43Å; K739-E741 HydrophobicContact CG-CG 3.99Å; K739-E741 IonicContact NZ-OE1 3.87Å; K739-E741 PolarHBondContact NZ-OE1 3.18Å; E741-F743 HydrophobicContact CB-CD2 4.25Å; E741-F743 HydrophobicContact CB-CE2 3.52Å; E741-F743 HydrophobicContact CB-CZ 4.09Å; E741-L753 HydrophobicContact CB-CD1 3.84Å; E741-L753 HydrophobicContact CG-CD1 4.28Å; E741-M755 CarbonylContact C-O 3.52Å; E741-D756 HydrophobicContact CG-CB 4.28Å |
| 742 | V | 86.1 | Confident | 65.6 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 112.5 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | I685 F687 Y707 V709 A754 M755 I812 I814 | I685-V742 HydrophobicContact CG2-CG2 4.41Å; F687-V742 HydrophobicContact CE1-CG1 3.85Å; F687-V742 HydrophobicContact CZ-CG1 4.34Å; Y707-V742 HydrophobicContact CD1-CG1 4.23Å; V709-V742 HydrophobicContact CG1-CG2 4.25Å; V709-V742 HydrophobicContact CG2-CG1 4.44Å; V709-V742 HydrophobicContact CG2-CG2 4.16Å; V742-A754 WeakPolarHBondContact O-CA 3.42Å; V742-A754 WeakPolarHBondContact O-CB 3.37Å; V742-A754 PolarHBondContact O-N 3.01Å; V742-M755 HydrophobicContact CB-CB 4.32Å; V742-M755 PolarHBondContact N-O 2.91Å; V742-M755 PolarHBondContact O-N 2.9Å; V742-M755 VanDerWaalsContact O-N 3.1Å; V742-I812 HydrophobicContact CB-CD1 4.09Å; V742-I812 HydrophobicContact CG1-CD1 3.59Å; V742-I812 HydrophobicContact CG1-CG1 4.33Å; V742-I812 HydrophobicContact CG2-CG2 4.3Å; V742-I814 HydrophobicContact CG2-CD1 4Å |
| 743 | F | 82.2 | Confident | 66.6 | Low | 39 Ų | 39 | 80 Ų | 80 | 17% | 0.171 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.2 | 175.3 | -64.3 | -94 | 0 | 0 | 0 | 110.6 | Y707 S708 N710 E741 R751 S752 L753 | Y707-F743 CarbonylContact C-O 3.52Å; Y707-F743 VanDerWaalsContact CA-O 3.29Å; Y707-F743 WeakPolarHBondContact CA-O 3.25Å; S708-F743 PolarHBondContact N-O 3.28Å; S708-F743 PolarHBondContact O-N 3Å; N710-F743 HydrophobicContact CB-CE2 4.32Å; N710-F743 VanDerWaalsContact ND2-CE2 3.33Å; N710-F743 WeakPolarHBondContact ND2-CE2 3.48Å; E741-F743 HydrophobicContact CB-CD2 4.25Å; E741-F743 HydrophobicContact CB-CE2 3.52Å; E741-F743 HydrophobicContact CB-CZ 4.09Å; F743-R751 HydrophobicContact CB-CB 4.18Å; F743-R751 HydrophobicContact CD1-CB 4.3Å; F743-S752 CarbonylContact C-O 3.56Å; F743-S752 WeakPolarHBondContact CA-O 3.5Å; F743-L753 HydrophobicContact CD1-CB 4.3Å; F743-L753 HydrophobicContact CD1-CD1 4.27Å; F743-L753 HydrophobicContact CE1-CB 4.16Å; F743-L753 HydrophobicContact CE1-CD1 3.97Å; F743-L753 HydrophobicContact CE2-CD1 4.26Å; F743-L753 HydrophobicContact CZ-CD1 3.96Å |
| 744 | M | 81.7 | Confident | 67.7 | Low | 39 Ų | 39 | 81 Ų | 81 | 19% | 0.192 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 146.7 | 166.5 | -168.2 | -166.2 | -54.4 | 0 | 0 | 109.5 | V706 Y707 E746 R751 S752 A754 Q811 | V706-M744 HydrophobicContact CG1-CG 4.35Å; V706-M744 CarbonylContact O-C 3.54Å; V706-M744 WeakPolarHBondContact O-CA 3.35Å; Y707-M744 HydrophobicContact CD1-CB 4.03Å; Y707-M744 HydrophobicContact CD1-CG 4.11Å; Y707-M744 HydrophobicContact CE1-CB 4.02Å; Y707-M744 HydrophobicContact CE1-CE 3.91Å; Y707-M744 HydrophobicContact CE1-CG 3.81Å; M744-E746 PolarHBondContact O-N 3.15Å; M744-E746 HydrophobicContact SD-CG 4.16Å; M744-R751 CarbonylContact O-C 3.58Å; M744-R751 VanDerWaalsContact O-CA 3.31Å; M744-R751 WeakPolarHBondContact O-CA 3.16Å; M744-S752 PolarHBondContact N-O 2.78Å; M744-S752 PolarHBondContact O-N 3.35Å; M744-S752 PolarHBondContact O-OG 3.16Å; M744-A754 HydrophobicContact CB-CB 3.86Å; M744-A754 HydrophobicContact CE-CB 4.24Å; M744-Q811 VanDerWaalsContact CE-OE1 3.3Å |
| 745 | K | 70.4 | Confident | 69.4 | Low | 66 Ų | 66 | 78.2 Ų | 78.2 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | trans | -92.2 | 90.9 | 172.9 | -170.2 | -176.9 | 179.1 | 174.3 | 0 | 111.1 | E704 V706 D747 | E704-K745 IonicContact OE1-NZ 2.61Å; E704-K745 PolarHBondContact OE1-NZ 3.12Å; V706-K745 PolarHBondContact O-N 2.83Å; K745-D747 VanDerWaalsContact CE-O 3.23Å; K745-D747 WeakPolarHBondContact CE-O 3.46Å; K745-D747 PolarHBondContact O-N 3.23Å | ||
| 746 | E | 55.6 | Low | 70.9 | Confident | 117 Ų | 117 | 73.2 Ų | 73.2 | 55% | 0.547 | 35% | 0.346 | S | S | . | . | trans | -83.5 | 103.2 | 166.7 | -71 | 179.2 | 122.4 | 0 | 0 | 110.2 | M744 S752 | M744-E746 PolarHBondContact O-N 3.15Å; M744-E746 HydrophobicContact SD-CG 4.16Å; E746-S752 WeakPolarHBondContact OE2-CB 3.39Å; E746-S752 PolarHBondContact OE2-OG 2.85Å | ||
| 747 | D | 52.4 | Low | 72.5 | Confident | 137 Ų | 137 | 71.6 Ų | 71.6 | 73% | 0.733 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 174.8 | 178.6 | -109.9 | -42.7 | 0 | 0 | 0 | 116.5 | K745 R749 | K745-D747 VanDerWaalsContact CE-O 3.23Å; K745-D747 WeakPolarHBondContact CE-O 3.46Å; K745-D747 PolarHBondContact O-N 3.23Å; D747-R749 PolarHBondContact O-N 2.82Å |
| 748 | K | 52.8 | Low | 73.6 | Confident | 157 Ų | 157 | 73 Ų | 73 | 68% | 0.683 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 0.6 | -167.3 | -67.8 | 177.5 | -178.5 | 169.5 | 0 | 116.1 | ||
| 749 | R | 54 | Low | 73.9 | Confident | 244 Ų | 244 | 67.1 Ų | 67.1 | 92% | 0.921 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.9 | -4.3 | -171.2 | -69.8 | -171.9 | 176.9 | 177.7 | -0.8 | 116.6 | D747 | D747-R749 PolarHBondContact O-N 2.82Š|
| 750 | K | 55 | Low | 73 | Confident | 167 Ų | 167 | 69.3 Ų | 69.3 | 73% | 0.726 | 33% | 0.327 | S | S | * | . | trans | -132.1 | 153.3 | 173.9 | -98.1 | -172.4 | 172 | -174 | 0 | 112 | ||||
| 751 | R | 66.3 | Low | 71.4 | Confident | 107 Ų | 107 | 76.2 Ų | 76.2 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | trans | -114.3 | 126.5 | 160.6 | -81.2 | -179.7 | 171.8 | -171 | -8.2 | 105.9 | S708 E715 F743 M744 | S708-R751 PolarHBondContact OG-NE 2.89Å; S708-R751 PolarHBondContact OG-NH1 3.08Å; S708-R751 PolarHBondContact OG-NH2 3.43Å; E715-R751 IonicContact OE1-CZ 3.43Å; E715-R751 VanDerWaalsContact OE1-CZ 3.24Å; E715-R751 IonicContact OE1-NH1 2.67Å; E715-R751 PolarHBondContact OE1-NH1 3.46Å; E715-R751 IonicContact OE1-NH2 3.86Å; E715-R751 PolarHBondContact OE1-NH2 2.89Å; F743-R751 HydrophobicContact CB-CB 4.18Å; F743-R751 HydrophobicContact CD1-CB 4.3Å; M744-R751 CarbonylContact O-C 3.58Å; M744-R751 VanDerWaalsContact O-CA 3.31Å; M744-R751 WeakPolarHBondContact O-CA 3.16Å | ||
| 752 | S | 76.6 | Confident | 69.1 | Low | 34 Ų | 34 | 79.6 Ų | 79.6 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 146.6 | 172.6 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | F743 M744 E746 A754 | F743-S752 CarbonylContact C-O 3.56Å; F743-S752 WeakPolarHBondContact CA-O 3.5Å; M744-S752 PolarHBondContact N-O 2.78Å; M744-S752 PolarHBondContact O-N 3.35Å; M744-S752 PolarHBondContact O-OG 3.16Å; E746-S752 WeakPolarHBondContact OE2-CB 3.39Å; E746-S752 PolarHBondContact OE2-OG 2.85Å; S752-A754 PolarHBondContact O-N 2.91Å |
| 753 | L | 80.1 | Confident | 66.7 | Low | 80 Ų | 80 | 82.7 Ų | 82.7 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 113.1 | 174.7 | -177.1 | 65.1 | 0 | 0 | 0 | 108.2 | E741 F743 M755 D756 | E741-L753 HydrophobicContact CB-CD1 3.84Å; E741-L753 HydrophobicContact CG-CD1 4.28Å; F743-L753 HydrophobicContact CD1-CB 4.3Å; F743-L753 HydrophobicContact CD1-CD1 4.27Å; F743-L753 HydrophobicContact CE1-CB 4.16Å; F743-L753 HydrophobicContact CE1-CD1 3.97Å; F743-L753 HydrophobicContact CE2-CD1 4.26Å; F743-L753 HydrophobicContact CZ-CD1 3.96Å; L753-M755 WeakPolarHBondContact CD1-O 3.25Å; L753-D756 HydrophobicContact CD1-CB 4.33Å; L753-D756 HydrophobicContact CD2-CB 4.12Å |
| 754 | A | 82.4 | Confident | 64.3 | Low | 26 Ų | 26 | 84.2 Ų | 84.2 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -28.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V742 M744 S752 N809 I812 | V742-A754 WeakPolarHBondContact O-CA 3.42Å; V742-A754 WeakPolarHBondContact O-CB 3.37Å; V742-A754 PolarHBondContact O-N 3.01Å; M744-A754 HydrophobicContact CB-CB 3.86Å; M744-A754 HydrophobicContact CE-CB 4.24Å; S752-A754 PolarHBondContact O-N 2.91Å; A754-N809 PolarHBondContact O-ND2 2.73Å; A754-I812 HydrophobicContact CB-CD1 3.91Å |
| 755 | M | 84.5 | Confident | 61.8 | Low | 11 Ų | 11 | 85.5 Ų | 85.5 | 5% | 0.054 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 142.3 | 170.4 | -176.2 | 170.4 | -74.9 | 0 | 0 | 109.9 | E741 V742 L753 R807 S808 N809 I812 I814 | E741-M755 CarbonylContact C-O 3.52Å; V742-M755 HydrophobicContact CB-CB 4.32Å; V742-M755 PolarHBondContact N-O 2.91Å; V742-M755 PolarHBondContact O-N 2.9Å; V742-M755 VanDerWaalsContact O-N 3.1Å; L753-M755 WeakPolarHBondContact CD1-O 3.25Å; M755-R807 HydrophobicContact CE-CG 4.4Å; M755-R807 HydrophobicContact SD-CG 4.29Å; M755-S808 VanDerWaalsContact CE-CA 3.49Å; M755-N809 HydrophobicContact CE-CB 3.6Å; M755-N809 VanDerWaalsContact CE-CG 3.5Å; M755-N809 VanDerWaalsContact CE-N 3.32Å; M755-I812 HydrophobicContact CB-CD1 4.28Å; M755-I812 HydrophobicContact CE-CB 4.12Å; M755-I812 HydrophobicContact CE-CG2 4.29Å; M755-I812 HydrophobicContact SD-CB 4.28Å; M755-I812 HydrophobicContact SD-CG2 3.79Å; M755-I814 HydrophobicContact CG-CD1 3.83Å; M755-I814 HydrophobicContact SD-CB 4.3Å; M755-I814 HydrophobicContact SD-CD1 3.49Å; M755-I814 WeakPolarHBondContact SD-CD1 3.34Å; M755-I814 HydrophobicContact SD-CG1 3.66Å |
| 756 | D | 87.1 | Confident | 60 | Low | 35 Ų | 35 | 88 Ų | 88 | 19% | 0.187 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 162.3 | 160.6 | 54.6 | -4.7 | 0 | 0 | 0 | 111.9 | K739 I740 E741 L753 R807 | K739-D756 VanDerWaalsContact CE-CB 3.46Å; K739-D756 WeakPolarHBondContact CE-OD2 3.39Å; K739-D756 IonicContact NZ-OD2 3.44Å; K739-D756 PolarHBondContact NZ-OD2 2.7Å; K739-D756 VanDerWaalsContact NZ-OD2 3.1Å; I740-D756 CarbonylContact O-C 3.53Å; I740-D756 WeakPolarHBondContact O-CA 3.4Å; E741-D756 HydrophobicContact CG-CB 4.28Å; L753-D756 HydrophobicContact CD1-CB 4.33Å; L753-D756 HydrophobicContact CD2-CB 4.12Å; D756-R807 WeakPolarHBondContact O-CD 3.42Å; D756-R807 PolarHBondContact O-NE 2.73Å; D756-R807 PolarHBondContact O-NH1 2.79Å; D756-R807 PolarHBondContact O-NH2 3.46Å; D756-R807 IonicContact OD1-CZ 2.75Å; D756-R807 IonicContact OD1-NH1 2.75Å; D756-R807 IonicContact OD1-NH2 3.35Å; D756-R807 PolarHBondContact OD1-NH2 3.33Å |
| 757 | F | 84.1 | Confident | 58.7 | Low | 11 Ų | 11 | 87 Ų | 87 | 5% | 0.048 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 112.1 | -177.9 | -179.6 | -97.8 | 0 | 0 | 0 | 111.4 | K739 I740 I759 Q805 R807 I814 | K739-F757 CarbonylContact C-O 3.56Å; K739-F757 WeakPolarHBondContact CA-O 3.13Å; I740-F757 HydrophobicContact CB-CB 4.23Å; I740-F757 HydrophobicContact CD1-CD1 3.84Å; I740-F757 HydrophobicContact CD1-CE1 4.45Å; I740-F757 HydrophobicContact CG1-CD1 4.14Å; I740-F757 PolarHBondContact N-O 3.06Å; I740-F757 PolarHBondContact O-N 2.75Å; F757-I759 HydrophobicContact CD1-CG1 4.08Å; F757-I759 HydrophobicContact CE1-CG1 4.15Å; F757-Q805 HydrophobicContact CE2-CB 4.37Å; F757-Q805 HydrophobicContact CZ-CB 3.69Å; F757-R807 HydrophobicContact CD2-CB 3.49Å; F757-R807 VanDerWaalsContact CD2-CB 3.49Å; F757-R807 HydrophobicContact CD2-CG 4.41Å; F757-R807 HydrophobicContact CE2-CB 3.89Å; F757-I814 HydrophobicContact CB-CD1 3.94Å; F757-I814 HydrophobicContact CB-CG2 4.19Å; F757-I814 HydrophobicContact CD1-CG2 3.79Å; F757-I814 HydrophobicContact CD2-CG2 4.34Å; F757-I814 HydrophobicContact CE1-CG2 4.14Å; F757-I814 HydrophobicContact CG-CG2 3.87Å |
| 758 | D | 83.1 | Confident | 57.5 | Low | 47 Ų | 47 | 84.3 Ų | 84.3 | 25% | 0.251 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 105 | -179.4 | -63.1 | -83.3 | 0 | 0 | 0 | 111.1 | K738 K739 V760 Q761 | K738-D758 CarbonylContact O-C 3.57Å; K738-D758 WeakPolarHBondContact O-CA 3.39Å; K739-D758 WeakPolarHBondContact CD-OD1 3.33Å; K739-D758 VanDerWaalsContact CG-OD1 3.27Å; K739-D758 WeakPolarHBondContact CG-OD1 3.02Å; D758-V760 PolarHBondContact O-N 3.03Å; D758-Q761 HydrophobicContact CB-CB 4.12Å; D758-Q761 PolarHBondContact O-N 3.31Å |
| 759 | I | 72.3 | Confident | 56.3 | Low | 11 Ų | 11 | 82.5 Ų | 82.5 | 6% | 0.056 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -33.6 | -173.9 | -59 | 167.7 | 0 | 0 | 0 | 111.9 | F733 F737 K738 I740 F757 Q805 Y816 | F733-I759 HydrophobicContact CE1-CD1 3.74Å; F733-I759 HydrophobicContact CZ-CD1 3.71Å; F737-I759 HydrophobicContact CB-CD1 4.25Å; K738-I759 PolarHBondContact O-N 3.37Å; I740-I759 HydrophobicContact CD1-CD1 4.09Å; I740-I759 HydrophobicContact CD1-CG1 4.24Å; I740-I759 HydrophobicContact CG1-CD1 3.87Å; I740-I759 HydrophobicContact CG1-CG1 4.09Å; F757-I759 HydrophobicContact CD1-CG1 4.08Å; F757-I759 HydrophobicContact CE1-CG1 4.15Å; I759-Q805 PolarHBondContact O-NE2 2.8Å; I759-Q805 VanDerWaalsContact O-NE2 3.09Å; I759-Y816 HydrophobicContact CG2-CD1 3.89Å; I759-Y816 HydrophobicContact CG2-CE1 3.58Å; I759-Y816 HydrophobicContact CG2-CE2 4.36Å; I759-Y816 HydrophobicContact CG2-CG 4.39Å |
| 760 | V | 60.6 | Low | 55 | Low | 92 Ų | 92 | 74 Ų | 74 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.2 | -172.8 | 173.9 | 0 | 0 | 0 | 0 | 113 | K738 D758 N762 | K738-V760 HydrophobicContact CB-CG2 4.14Å; K738-V760 HydrophobicContact CG-CG2 4.07Å; D758-V760 PolarHBondContact O-N 3.03Å; V760-N762 PolarHBondContact O-N 3.13Å |
| 761 | Q | 46.2 | Very low | 53.6 | Low | 145 Ų | 145 | 71.6 Ų | 71.6 | 68% | 0.678 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.6 | -148.5 | -138.8 | 171.8 | 27.2 | 0 | 0 | 116.5 | D758 | D758-Q761 HydrophobicContact CB-CB 4.12Å; D758-Q761 PolarHBondContact O-N 3.31Å |
| 762 | N | 38.6 | Very low | 51.8 | Low | 107 Ų | 107 | 75 Ų | 75 | 57% | 0.572 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -10.6 | -177 | -75.4 | -50.3 | 0 | 0 | 0 | 115.8 | V760 A764 Q805 | V760-N762 PolarHBondContact O-N 3.13Å; N762-A764 PolarHBondContact O-N 2.8Å; N762-Q805 PolarHBondContact ND2-OE1 3.25Å |
| 763 | N | 35 | Very low | 49.4 | Very low | 64 Ų | 64 | 81.2 Ų | 81.2 | 34% | 0.342 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6 | -176.7 | -89.4 | -62.5 | 0 | 0 | 0 | 115 | R1334 | N763-R1334 PolarHBondContact OD1-NH1 3.22Å; N763-R1334 PolarHBondContact OD1-NH2 3Å; N763-R1334 VanDerWaalsContact OD1-NH2 3.11Å |
| 764 | A | 30.8 | Very low | 47.2 | Very low | 72 Ų | 72 | 79.4 Ų | 79.4 | 60% | 0.595 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -14.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | N762 S767 | N762-A764 PolarHBondContact O-N 2.8Å; A764-S767 PolarHBondContact O-OG 2.9Å |
| 765 | A | 29.4 | Very low | 44.7 | Very low | 65 Ų | 65 | 83.2 Ų | 83.2 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -35 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S767 A768 | A765-S767 VanDerWaalsContact C-N 3.25Å; A765-S767 PolarHBondContact O-N 3.3Å; A765-A768 WeakPolarHBondContact O-CB 3.25Å; A765-A768 PolarHBondContact O-N 2.84Å |
| 766 | T | 32.4 | Very low | 42.3 | Very low | 120 Ų | 120 | 87.6 Ų | 87.6 | 74% | 0.736 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -68.6 | -20.8 | 177.8 | 24.2 | 0 | 0 | 0 | 0 | 113.6 | A768 | T766-A768 VanDerWaalsContact C-N 3.32Š|
| 767 | S | 28.3 | Very low | 39.6 | Very low | 94 Ų | 94 | 91.5 Ų | 91.5 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -80.2 | -4.2 | 172.6 | 32.2 | 0 | 0 | 0 | 0 | 114.6 | A764 A765 | A764-S767 PolarHBondContact O-OG 2.9Å; A765-S767 VanDerWaalsContact C-N 3.25Å; A765-S767 PolarHBondContact O-N 3.3Å |
| 768 | A | 28.1 | Very low | 37.2 | Very low | 82 Ų | 82 | 101.2 Ų | 101.2 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -90.4 | -2.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A765 T766 | A765-A768 WeakPolarHBondContact O-CB 3.25Å; A765-A768 PolarHBondContact O-N 2.84Å; T766-A768 VanDerWaalsContact C-N 3.32Å |
| 769 | S | 27.5 | Very low | 34.6 | Very low | 118 Ų | 118 | 105.8 Ų | 105.8 | 83% | 0.825 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -105.5 | 34 | -179 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 770 | G | 26 | Very low | 32.5 | Very low | 66 Ų | 66 | 114 Ų | 114 | 68% | 0.68 | 66% | 0.658 | S | S | * | * | trans | -127.9 | 51.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M772 | G770-M772 PolarHBondContact O-N 2.97Š| ||
| 771 | S | 26.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -76.4 | 83.4 | -174.8 | -178.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 772 | M | 27.8 | Very low | 30.2 | Very low | 178 Ų | 178 | 112.5 Ų | 112.5 | 88% | 0.877 | 67% | 0.674 | S | S | * | * | trans | 54.3 | 106 | 150.9 | -57.4 | -173 | 178.1 | 0 | 0 | 118.1 | G770 | G770-M772 PolarHBondContact O-N 2.97Š| ||
| 773 | I | 27.6 | Very low | 29.7 | Very low | 164 Ų | 164 | 111.1 Ų | 111.1 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | trans | -84.5 | 131 | 160.4 | -66 | 175.8 | 0 | 0 | 0 | 109.9 | ||||
| 774 | A | 33.9 | Very low | 29.3 | Very low | 42 Ų | 42 | 116.2 Ų | 116.2 | 35% | 0.347 | 71% | 0.712 | S | S | . | * | trans | -154.3 | 133.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S613 S615 | S613-A774 CarbonylContact O-C 3.57Å; S613-A774 WeakPolarHBondContact O-CA 3.06Å; S613-A774 WeakPolarHBondContact O-CB 3.23Å; S615-A774 WeakPolarHBondContact CB-O 3.3Å; S615-A774 PolarHBondContact OG-O 3.21Å | ||
| 775 | D | 29.6 | Very low | 29.3 | Very low | 107 Ų | 107 | 119 Ų | 119 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | trans | -144.8 | 139.2 | -172.7 | -175.3 | 31.4 | 0 | 0 | 0 | 115.6 | S613 S614 | S613-D775 CarbonylContact C-O 3.56Å; S613-D775 VanDerWaalsContact C-O 3.24Å; S613-D775 WeakPolarHBondContact CA-O 3.18Å; S613-D775 WeakPolarHBondContact CB-O 3.31Å; S613-D775 PolarHBondContact O-N 2.8Å; S613-D775 PolarHBondContact OG-O 2.82Å; S614-D775 WeakPolarHBondContact CB-O 3.47Å; S614-D775 WeakPolarHBondContact OG-CA 3.22Å; S614-D775 PolarHBondContact OG-N 3.37Å | ||
| 776 | H | 35 | Very low | 29 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 48% | 0.477 | 74% | 0.741 | S | S | . | * | trans | -149.8 | 132.2 | -179.1 | -101.4 | -41.6 | 0 | 0 | 0 | 112.1 | S613 S614 K778 | S613-H776 WeakPolarHBondContact CB-CE1 3.27Å; S613-H776 WeakPolarHBondContact CB-ND1 3.38Å; S613-H776 PolarHBondContact OG-ND1 2.68Å; S614-H776 WeakPolarHBondContact CB-CD2 3.44Å; S614-H776 VanDerWaalsContact CB-N 3.31Å; S614-H776 PolarHBondContact OG-N 3.3Å; H776-K778 PolarHBondContact O-N 2.94Å | ||
| 777 | D | 28.7 | Very low | 28.9 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | 33.7 | 81.3 | 106.8 | -50.9 | -39.7 | 0 | 0 | 0 | 118.6 | |||||
| 778 | K | 33.7 | Very low | 28.8 | Very low | 215 Ų | 215 | 121.9 Ų | 121.9 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | -144.7 | 142.8 | 101 | -111.9 | 167.1 | -174.5 | 172.8 | 0 | 112.6 | H776 | H776-K778 PolarHBondContact O-N 2.94Š| |||
| 779 | Q | 28.5 | Very low | 28.6 | Very low | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | trans | -94.2 | 165.3 | -175.3 | -64.9 | 178.5 | -20.3 | 0 | 0 | 112.6 | ||||
| 780 | F | 29.9 | Very low | 28.5 | Very low | 184 Ų | 184 | 125.3 Ų | 125.3 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 73.8 | 138.9 | 169.8 | -55.7 | -76.6 | 0 | 0 | 0 | 116 | ||||
| 781 | S | 29.7 | Very low | 28.4 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | -157.5 | 152.9 | 5 | -133 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 782 | A | 27.7 | Very low | 28.3 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | 55.6 | 120.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 783 | G | 28.8 | Very low | 28.2 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -177.7 | 80.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 784 | N | 26.5 | Very low | 28.2 | Very low | 172 Ų | 172 | 123.2 Ų | 123.2 | 92% | 0.92 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 129.3 | -174.7 | -76.2 | -13 | 0 | 0 | 0 | 113.7 | ||||
| 785 | S | 30.6 | Very low | 27.9 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -163.4 | 151.8 | 133.3 | 44.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 786 | S | 23.6 | Very low | 28.3 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -117.5 | 129.1 | -162.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 787 | S | 29 | Very low | 28.7 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -154.7 | 132.6 | 156.1 | 45.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 788 | S | 27.2 | Very low | 30.1 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 27.9 | 99.8 | 158.4 | 55.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 789 | L | 23.7 | Very low | 31.8 | Very low | 168 Ų | 168 | 120.5 Ų | 120.5 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | trans | -72.4 | 124.3 | 154.2 | -82.8 | 163.3 | 0 | 0 | 0 | 110.1 | L791 | L789-L791 HydrophobicContact CB-CD1 4.46Š| ||
| 790 | S | 25.1 | Very low | 34.1 | Very low | 104 Ų | 104 | 115 Ų | 115 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -124.5 | 98.9 | 168.9 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | S792 | S790-S792 PolarHBondContact O-N 3.16Š| ||
| 791 | L | 23.2 | Very low | 36.8 | Very low | 161 Ų | 161 | 106.3 Ų | 106.3 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | -79.9 | 94.5 | 175.1 | -76.8 | 78.8 | 0 | 0 | 0 | 110.2 | L789 | L789-L791 HydrophobicContact CB-CD1 4.46Š| ||
| 792 | S | 23.9 | Very low | 39.5 | Very low | 103 Ų | 103 | 101.5 Ų | 101.5 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | trans | -172 | 96.3 | 161.8 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | S790 | S790-S792 PolarHBondContact O-N 3.16Š| ||
| 793 | S | 27.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 98.8 Ų | 98.8 | 81% | 0.811 | 63% | 0.629 | S | S | * | * | trans | 173.3 | 62 | 144.5 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | S795 | S793-S795 PolarHBondContact O-N 3.39Š| ||
| 794 | A | 26.2 | Very low | 44.7 | Very low | 100 Ų | 100 | 96.6 Ų | 96.6 | 83% | 0.826 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 119.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||
| 795 | S | 29.1 | Very low | 47.4 | Very low | 107 Ų | 107 | 89.7 Ų | 89.7 | 75% | 0.748 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127.5 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | S793 L797 | S793-S795 PolarHBondContact O-N 3.39Å; S795-L797 PolarHBondContact O-N 3.24Å; S795-L797 VanDerWaalsContact O-N 3.08Å |
| 796 | P | 38.2 | Very low | 50 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 75% | 0.747 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 117.7 | -178.7 | 25.2 | -33 | 0 | 0 | 0 | 109.3 | H798 | P796-H798 PolarHBondContact O-N 3.46Å; P796-H798 VanDerWaalsContact O-N 3.1Å |
| 797 | L | 43.2 | Very low | 52.8 | Low | 124 Ų | 124 | 88.3 Ų | 88.3 | 65% | 0.649 | 52% | 0.524 | S | S | * | . | trans | -59.5 | 115.5 | 170.5 | -73.1 | 167.2 | 0 | 0 | 0 | 107.4 | S795 Y799 | S795-L797 PolarHBondContact O-N 3.24Å; S795-L797 VanDerWaalsContact O-N 3.08Å; L797-Y799 HydrophobicContact CB-CD1 4.25Å; L797-Y799 HydrophobicContact CB-CE1 3.68Å; L797-Y799 HydrophobicContact CB-CE2 4.18Å; L797-Y799 HydrophobicContact CD1-CE1 4.29Å; L797-Y799 WeakPolarHBondContact CD1-OH 3.3Å; L797-Y799 PolarHBondContact O-N 3.04Å | ||
| 798 | H | 57.8 | Low | 55.5 | Low | 126 Ų | 126 | 86.5 Ų | 86.5 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | trans | -83.1 | 59.8 | -163.7 | -155.2 | -50.4 | 0 | 0 | 0 | 111.4 | P796 S800 | P796-H798 PolarHBondContact O-N 3.46Å; P796-H798 VanDerWaalsContact O-N 3.1Å; H798-S800 PolarHBondContact O-N 3.36Å | ||
| 799 | Y | 68.8 | Low | 58.2 | Low | 55 Ų | 55 | 84.8 Ų | 84.8 | 22% | 0.216 | 49% | 0.493 | C | S | . | . | trans | -53 | 137 | -177.9 | -54.7 | -50.7 | 0 | 0 | 0 | 111.5 | L797 E1324 H1327 | L797-Y799 HydrophobicContact CB-CD1 4.25Å; L797-Y799 HydrophobicContact CB-CE1 3.68Å; L797-Y799 HydrophobicContact CB-CE2 4.18Å; L797-Y799 HydrophobicContact CD1-CE1 4.29Å; L797-Y799 WeakPolarHBondContact CD1-OH 3.3Å; L797-Y799 PolarHBondContact O-N 3.04Å; Y799-E1324 HydrophobicContact CD2-CB 3.89Å; Y799-E1324 HydrophobicContact CD2-CG 4.23Å; Y799-E1324 HydrophobicContact CE1-CG 4.33Å; Y799-E1324 HydrophobicContact CE2-CB 3.87Å; Y799-E1324 HydrophobicContact CE2-CG 3.74Å; Y799-E1324 HydrophobicContact CG-CB 4.38Å; Y799-H1327 HydrophobicContact CD1-CB 3.93Å; Y799-H1327 AromaticContact CD1-CD2 3.78Å; Y799-H1327 AromaticContact CD1-CG 3.87Å; Y799-H1327 AromaticContact CE1-CD2 3.77Å | ||
| 800 | S | 77 | Confident | 60.8 | Low | 27 Ų | 27 | 79.7 Ų | 79.7 | 19% | 0.189 | 48% | 0.482 | C | S | . | . | trans | -135.9 | 128.7 | -168.9 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | H798 C802 D803 | H798-S800 PolarHBondContact O-N 3.36Å; S800-C802 VanDerWaalsContact OG-C 3.26Å; S800-C802 PolarHBondContact OG-N 3.4Å; S800-C802 PolarHBondContact OG-O 3.21Å; S800-C802 VanDerWaalsContact OG-O 3.05Å; S800-D803 WeakPolarHBondContact CB-OD1 3.47Å; S800-D803 PolarHBondContact OG-OD1 2.83Å | ||
| 801 | I | 86.7 | Confident | 63.4 | Low | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -81.8 | -24.9 | 171.1 | -58.8 | 172.1 | 0 | 0 | 0 | 110.2 | L819 H820 A1231 A1234 L1238 L1322 A1323 | I801-L819 HydrophobicContact CG2-CD1 4.16Å; I801-H820 PolarHBondContact O-N 3.43Å; I801-A1231 HydrophobicContact CG2-CB 4.32Å; I801-A1234 HydrophobicContact CD1-CB 3.78Å; I801-L1238 HydrophobicContact CD1-CD2 4.3Å; I801-L1238 HydrophobicContact CG1-CD2 4.47Å; I801-L1322 HydrophobicContact CD1-CD2 4.14Å; I801-L1322 HydrophobicContact CD1-CG 4.35Å; I801-A1323 HydrophobicContact CD1-CB 4.33Å; I801-A1323 HydrophobicContact CG1-CB 3.92Å |
| 802 | C | 86.6 | Confident | 66.3 | Low | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.014 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 113.7 | -179.1 | -172.4 | 0 | 0 | 0 | 0 | 113.6 | S800 T804 E818 L819 Y1235 | S800-C802 VanDerWaalsContact OG-C 3.26Å; S800-C802 PolarHBondContact OG-N 3.4Å; S800-C802 PolarHBondContact OG-O 3.21Å; S800-C802 VanDerWaalsContact OG-O 3.05Å; C802-T804 VanDerWaalsContact C-N 3.34Å; C802-T804 PolarHBondContact O-N 3.23Å; C802-E818 CarbonylContact C-O 3.58Å; C802-E818 VanDerWaalsContact CA-O 3.23Å; C802-E818 WeakPolarHBondContact CA-O 3.43Å; C802-E818 PolarHBondContact SG-O 3.07Å; C802-E818 VanDerWaalsContact SG-O 3.42Å; C802-L819 HydrophobicContact CB-CD1 4.02Å; C802-Y1235 HydrophobicContact CB-CD1 3.91Å; C802-Y1235 HydrophobicContact CB-CD2 3.64Å; C802-Y1235 HydrophobicContact CB-CE1 4.19Å; C802-Y1235 HydrophobicContact CB-CE2 3.96Å; C802-Y1235 HydrophobicContact CB-CG 3.63Å |
| 803 | D | 82.3 | Confident | 69.3 | Low | 45 Ų | 45 | 67.2 Ų | 67.2 | 24% | 0.241 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 82 | 177.6 | -69.1 | -22.7 | 0 | 0 | 0 | 110.5 | S800 K817 E818 H820 | S800-D803 WeakPolarHBondContact CB-OD1 3.47Å; S800-D803 PolarHBondContact OG-OD1 2.83Å; D803-K817 WeakPolarHBondContact O-CA 3.26Å; D803-E818 HydrophobicContact CB-CB 4.39Å; D803-E818 PolarHBondContact N-O 2.74Å; D803-E818 PolarHBondContact O-N 2.79Å; D803-H820 IonicContact OD2-CE1 2.69Å |
| 804 | T | 83.2 | Confident | 72.2 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.9 | 167.5 | -60 | 0 | 0 | 0 | 0 | 111 | C802 I815 Y816 K817 K1244 | C802-T804 VanDerWaalsContact C-N 3.34Å; C802-T804 PolarHBondContact O-N 3.23Å; T804-I815 HydrophobicContact CG2-CG2 4.14Å; T804-Y816 CarbonylContact C-O 3.58Å; T804-Y816 WeakPolarHBondContact CA-O 3.42Å; T804-K817 HydrophobicContact CG2-CD 4.31Å; T804-K817 HydrophobicContact CG2-CG 4.04Å; T804-K817 VanDerWaalsContact OG1-CD 3.25Å; T804-K817 WeakPolarHBondContact OG1-CD 3.28Å; T804-K817 WeakPolarHBondContact OG1-CE 3.47Å; T804-K817 WeakPolarHBondContact OG1-CG 3.17Å; T804-K817 PolarHBondContact OG1-NZ 3.02Å; T804-K1244 PolarHBondContact O-NZ 3.04Å |
| 805 | Q | 83.7 | Confident | 75 | Confident | 27 Ų | 27 | 58 Ų | 58 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.9 | 168.9 | -58.3 | -172.3 | 62.2 | 0 | 0 | 108.9 | F757 I759 N762 Y816 | F757-Q805 HydrophobicContact CE2-CB 4.37Å; F757-Q805 HydrophobicContact CZ-CB 3.69Å; I759-Q805 PolarHBondContact O-NE2 2.8Å; I759-Q805 VanDerWaalsContact O-NE2 3.09Å; N762-Q805 PolarHBondContact ND2-OE1 3.25Å; Q805-Y816 PolarHBondContact N-O 3.37Å; Q805-Y816 PolarHBondContact O-N 3.42Å; Q805-Y816 VanDerWaalsContact O-O 3.11Å |
| 806 | E | 84.2 | Confident | 77.5 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 51% | 0.514 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 148.5 | 176.6 | 173.5 | 166.6 | -166.1 | 0 | 0 | 112.1 | S813 I814 I815 | E806-S813 PolarHBondContact OE1-OG 3.39Å; E806-I814 CarbonylContact C-O 3.59Å; E806-I814 VanDerWaalsContact CA-O 3.28Å; E806-I814 WeakPolarHBondContact CA-O 3.48Å; E806-I815 HydrophobicContact CB-CG1 4.33Å; E806-I815 HydrophobicContact CG-CG1 3.99Å |
| 807 | R | 83.8 | Confident | 79.6 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 133.6 | 165.8 | -174.6 | 166.8 | 174.2 | 170.4 | -11.4 | 109.7 | M755 D756 F757 I814 | M755-R807 HydrophobicContact CE-CG 4.4Å; M755-R807 HydrophobicContact SD-CG 4.29Å; D756-R807 WeakPolarHBondContact O-CD 3.42Å; D756-R807 PolarHBondContact O-NE 2.73Å; D756-R807 PolarHBondContact O-NH1 2.79Å; D756-R807 PolarHBondContact O-NH2 3.46Å; D756-R807 IonicContact OD1-CZ 2.75Å; D756-R807 IonicContact OD1-NH1 2.75Å; D756-R807 IonicContact OD1-NH2 3.35Å; D756-R807 PolarHBondContact OD1-NH2 3.33Å; F757-R807 HydrophobicContact CD2-CB 3.49Å; F757-R807 VanDerWaalsContact CD2-CB 3.49Å; F757-R807 HydrophobicContact CD2-CG 4.41Å; F757-R807 HydrophobicContact CE2-CB 3.89Å; R807-I814 PolarHBondContact N-O 2.74Å; R807-I814 PolarHBondContact O-N 3.15Å |
| 808 | S | 84.7 | Confident | 81.5 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 53% | 0.531 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155.6 | -179 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | M755 I812 | M755-S808 VanDerWaalsContact CE-CA 3.49Å; S808-I812 CarbonylContact C-O 3.5Å; S808-I812 VanDerWaalsContact CA-O 3.25Å; S808-I812 WeakPolarHBondContact CA-O 3.43Å; S808-I812 WeakPolarHBondContact CB-O 3.24Å |
| 809 | N | 84.7 | Confident | 82.8 | Confident | 72 Ų | 72 | 38.5 Ų | 38.5 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | trans | -134.3 | 17.3 | 178.9 | 71.9 | 4.4 | 0 | 0 | 0 | 112.7 | A754 M755 Q811 I812 | A754-N809 PolarHBondContact O-ND2 2.73Å; M755-N809 HydrophobicContact CE-CB 3.6Å; M755-N809 VanDerWaalsContact CE-CG 3.5Å; M755-N809 VanDerWaalsContact CE-N 3.32Å; N809-Q811 PolarHBondContact O-N 3.22Å; N809-Q811 VanDerWaalsContact O-N 3.13Å; N809-Q811 PolarHBondContact OD1-N 3.43Å; N809-Q811 VanDerWaalsContact OD1-N 3.09Å; N809-I812 PolarHBondContact N-O 2.78Å; N809-I812 PolarHBondContact OD1-N 3Å; N809-I812 PolarHBondContact OD1-O 3.3Å | ||
| 810 | G | 77.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 36.3 Ų | 36.3 | 63% | 0.629 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 80.3 | -31.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T688 | T688-G810 PolarHBondContact OG1-O 3.11Å; T688-G810 VanDerWaalsContact OG1-O 3.1Å |
| 811 | Q | 80.1 | Confident | 83.9 | Confident | 87 Ų | 87 | 35 Ų | 35 | 41% | 0.407 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -90.2 | -35.6 | 171.7 | -69.7 | -176.6 | -14.2 | 0 | 0 | 112.3 | T688 Y707 M744 N809 | T688-Q811 PolarHBondContact N-O 3Å; T688-Q811 WeakPolarHBondContact OG1-CA 3.41Å; T688-Q811 PolarHBondContact OG1-O 3.11Å; Y707-Q811 PolarHBondContact OH-OE1 3.32Å; M744-Q811 VanDerWaalsContact CE-OE1 3.3Å; N809-Q811 PolarHBondContact O-N 3.22Å; N809-Q811 VanDerWaalsContact O-N 3.13Å; N809-Q811 PolarHBondContact OD1-N 3.43Å; N809-Q811 VanDerWaalsContact OD1-N 3.09Å |
| 812 | I | 84.4 | Confident | 83.7 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.1 | -176.8 | -58.1 | 153.8 | 0 | 0 | 0 | 108.4 | I685 K686 F687 Y707 V742 A754 M755 S808 N809 I814 | I685-I812 HydrophobicContact CG2-CG2 4.34Å; K686-I812 VanDerWaalsContact O-CA 3.32Å; K686-I812 WeakPolarHBondContact O-CA 3.38Å; F687-I812 HydrophobicContact CD1-CG1 4.13Å; F687-I812 HydrophobicContact CE1-CG1 4.2Å; Y707-I812 HydrophobicContact CD1-CD1 4.14Å; Y707-I812 HydrophobicContact CE1-CD1 3.97Å; Y707-I812 HydrophobicContact CE1-CG1 4.37Å; V742-I812 HydrophobicContact CB-CD1 4.09Å; V742-I812 HydrophobicContact CG1-CD1 3.59Å; V742-I812 HydrophobicContact CG1-CG1 4.33Å; V742-I812 HydrophobicContact CG2-CG2 4.3Å; A754-I812 HydrophobicContact CB-CD1 3.91Å; M755-I812 HydrophobicContact CB-CD1 4.28Å; M755-I812 HydrophobicContact CE-CB 4.12Å; M755-I812 HydrophobicContact CE-CG2 4.29Å; M755-I812 HydrophobicContact SD-CB 4.28Å; M755-I812 HydrophobicContact SD-CG2 3.79Å; S808-I812 CarbonylContact C-O 3.5Å; S808-I812 VanDerWaalsContact CA-O 3.25Å; S808-I812 WeakPolarHBondContact CA-O 3.43Å; S808-I812 WeakPolarHBondContact CB-O 3.24Å; N809-I812 PolarHBondContact N-O 2.78Å; N809-I812 PolarHBondContact OD1-N 3Å; N809-I812 PolarHBondContact OD1-O 3.3Å; I812-I814 HydrophobicContact CG2-CG1 4.17Å |
| 813 | S | 85.8 | Confident | 83.4 | Confident | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.9 | 162.9 | 155.8 | 0 | 0 | 0 | 0 | 108.5 | I685 K686 E806 | I685-S813 CarbonylContact C-O 3.59Å; I685-S813 WeakPolarHBondContact CA-O 3.37Å; K686-S813 PolarHBondContact N-O 3.38Å; K686-S813 PolarHBondContact O-N 3.19Å; E806-S813 PolarHBondContact OE1-OG 3.39Å |
| 814 | I | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.1 | 174.9 | -64 | 175.5 | 0 | 0 | 0 | 106.9 | L683 I685 I740 V742 M755 F757 E806 R807 I812 | L683-I814 HydrophobicContact CD1-CG2 4.01Å; I685-I814 HydrophobicContact CG1-CG1 4.25Å; I685-I814 HydrophobicContact CG1-CG2 4.47Å; I685-I814 HydrophobicContact CG2-CG1 4.14Å; I740-I814 HydrophobicContact CB-CD1 4.41Å; I740-I814 HydrophobicContact CD1-CG2 3.83Å; I740-I814 HydrophobicContact CG2-CD1 4.06Å; V742-I814 HydrophobicContact CG2-CD1 4Å; M755-I814 HydrophobicContact CG-CD1 3.83Å; M755-I814 HydrophobicContact SD-CB 4.3Å; M755-I814 HydrophobicContact SD-CD1 3.49Å; M755-I814 WeakPolarHBondContact SD-CD1 3.34Å; M755-I814 HydrophobicContact SD-CG1 3.66Å; F757-I814 HydrophobicContact CB-CD1 3.94Å; F757-I814 HydrophobicContact CB-CG2 4.19Å; F757-I814 HydrophobicContact CD1-CG2 3.79Å; F757-I814 HydrophobicContact CD2-CG2 4.34Å; F757-I814 HydrophobicContact CE1-CG2 4.14Å; F757-I814 HydrophobicContact CG-CG2 3.87Å; E806-I814 CarbonylContact C-O 3.59Å; E806-I814 VanDerWaalsContact CA-O 3.28Å; E806-I814 WeakPolarHBondContact CA-O 3.48Å; R807-I814 PolarHBondContact N-O 2.74Å; R807-I814 PolarHBondContact O-N 3.15Å; I812-I814 HydrophobicContact CG2-CG1 4.17Å |
| 815 | I | 85 | Confident | 83.1 | Confident | 22 Ų | 22 | 40 Ų | 40 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 116 | 179.9 | -51.9 | 176.8 | 0 | 0 | 0 | 108.2 | L683 E684 T804 E806 K817 | L683-I815 WeakPolarHBondContact CA-O 3.36Å; E684-I815 HydrophobicContact CB-CB 4.43Å; E684-I815 PolarHBondContact N-O 2.84Å; E684-I815 PolarHBondContact O-N 3.35Å; T804-I815 HydrophobicContact CG2-CG2 4.14Å; E806-I815 HydrophobicContact CB-CG1 4.33Å; E806-I815 HydrophobicContact CG-CG1 3.99Å; I815-K817 HydrophobicContact CG2-CG 4.2Å |
| 816 | Y | 82.7 | Confident | 83.2 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138 | 172.1 | -179.6 | -110.9 | 0 | 0 | 0 | 109.6 | R681 N682 L683 F733 I759 T804 Q805 E818 | R681-Y816 HydrophobicContact CB-CE2 4.37Å; R681-Y816 VanDerWaalsContact CD-OH 3.27Å; R681-Y816 WeakPolarHBondContact CD-OH 3.49Å; R681-Y816 PolarHBondContact NE-OH 3.09Å; N682-Y816 CarbonylContact O-C 3.58Å; N682-Y816 WeakPolarHBondContact O-CA 3.43Å; L683-Y816 HydrophobicContact CB-CD2 4.49Å; F733-Y816 HydrophobicContact CB-CE2 4.36Å; F733-Y816 HydrophobicContact CD1-CD2 4.36Å; F733-Y816 AromaticContact CD1-CE2 3.58Å; F733-Y816 HydrophobicContact CD1-CE2 3.58Å; F733-Y816 HydrophobicContact CE1-CE2 4.13Å; F733-Y816 HydrophobicContact CG-CE2 4.13Å; I759-Y816 HydrophobicContact CG2-CD1 3.89Å; I759-Y816 HydrophobicContact CG2-CE1 3.58Å; I759-Y816 HydrophobicContact CG2-CE2 4.36Å; I759-Y816 HydrophobicContact CG2-CG 4.39Å; T804-Y816 CarbonylContact C-O 3.58Å; T804-Y816 WeakPolarHBondContact CA-O 3.42Å; Q805-Y816 PolarHBondContact N-O 3.37Å; Q805-Y816 PolarHBondContact O-N 3.42Å; Q805-Y816 VanDerWaalsContact O-O 3.11Å; Y816-E818 HydrophobicContact CD1-CG 4.34Å; Y816-E818 HydrophobicContact CE1-CG 3.4Å; Y816-E818 VanDerWaalsContact CE1-CG 3.4Å; Y816-E818 WeakPolarHBondContact OH-CG 3.24Å; Y816-E818 PolarHBondContact OH-OE1 2.69Å |
| 817 | K | 82.7 | Confident | 83.4 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.4 | 178.3 | -58.6 | -158.4 | 170.9 | -148.4 | 0 | 111.1 | R681 N682 D803 T804 I815 Y1235 | R681-K817 CarbonylContact C-O 3.47Å; R681-K817 VanDerWaalsContact CA-O 3.3Å; R681-K817 WeakPolarHBondContact CA-O 3.44Å; N682-K817 HydrophobicContact CB-CB 4.35Å; N682-K817 PolarHBondContact N-O 3.08Å; N682-K817 PolarHBondContact O-N 2.9Å; D803-K817 WeakPolarHBondContact O-CA 3.26Å; T804-K817 HydrophobicContact CG2-CD 4.31Å; T804-K817 HydrophobicContact CG2-CG 4.04Å; T804-K817 VanDerWaalsContact OG1-CD 3.25Å; T804-K817 WeakPolarHBondContact OG1-CD 3.28Å; T804-K817 WeakPolarHBondContact OG1-CE 3.47Å; T804-K817 WeakPolarHBondContact OG1-CG 3.17Å; T804-K817 PolarHBondContact OG1-NZ 3.02Å; I815-K817 HydrophobicContact CG2-CG 4.2Å; K817-Y1235 PolarHBondContact NZ-OH 3.08Å |
| 818 | E | 82.1 | Confident | 83.5 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108.8 | 165 | -52.5 | -161.7 | 124.4 | 0 | 0 | 109.1 | Y680 R681 C802 D803 Y816 | Y680-E818 CarbonylContact O-C 3.59Å; R681-E818 HydrophobicContact CG-CG 4.27Å; R681-E818 IonicContact CZ-OE1 3.95Å; R681-E818 VanDerWaalsContact CZ-OE1 3.25Å; R681-E818 IonicContact NE-OE1 3.75Å; R681-E818 PolarHBondContact NE-OE1 2.84Å; R681-E818 IonicContact NH2-OE1 3.06Å; R681-E818 PolarHBondContact NH2-OE1 3.27Å; C802-E818 CarbonylContact C-O 3.58Å; C802-E818 VanDerWaalsContact CA-O 3.23Å; C802-E818 WeakPolarHBondContact CA-O 3.43Å; C802-E818 PolarHBondContact SG-O 3.07Å; C802-E818 VanDerWaalsContact SG-O 3.42Å; D803-E818 HydrophobicContact CB-CB 4.39Å; D803-E818 PolarHBondContact N-O 2.74Å; D803-E818 PolarHBondContact O-N 2.79Å; Y816-E818 HydrophobicContact CD1-CG 4.34Å; Y816-E818 HydrophobicContact CE1-CG 3.4Å; Y816-E818 VanDerWaalsContact CE1-CG 3.4Å; Y816-E818 WeakPolarHBondContact OH-CG 3.24Å; Y816-E818 PolarHBondContact OH-OE1 2.69Å |
| 819 | L | 84.1 | Confident | 83.7 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.3 | 172.8 | 178 | 71.4 | 0 | 0 | 0 | 109.3 | C679 Y680 I801 C802 V821 R1228 A1231 Q1232 | C679-L819 WeakPolarHBondContact CA-O 3.26Å; Y680-L819 PolarHBondContact N-O 2.92Å; Y680-L819 PolarHBondContact O-N 3.12Å; I801-L819 HydrophobicContact CG2-CD1 4.16Å; C802-L819 HydrophobicContact CB-CD1 4.02Å; L819-V821 HydrophobicContact CD2-CG2 4.17Å; L819-V821 HydrophobicContact CG-CG2 4.13Å; L819-R1228 HydrophobicContact CD2-CG 4.31Å; L819-A1231 HydrophobicContact CD1-CB 4.16Å; L819-A1231 HydrophobicContact CD2-CB 4.43Å; L819-A1231 HydrophobicContact CG-CB 4.41Å; L819-Q1232 HydrophobicContact CD2-CB 4.2Å |
| 820 | H | 84.8 | Confident | 84.1 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.3 | 178.9 | -62.5 | 110.8 | 0 | 0 | 0 | 110.5 | L677 C679 I801 D803 T1326 V1330 | L677-H820 HydrophobicContact CD1-CB 4.34Å; C679-H820 PolarHBondContact SG-NE2 2.71Å; I801-H820 PolarHBondContact O-N 3.43Å; D803-H820 IonicContact OD2-CE1 2.69Å; H820-T1326 HydrophobicContact CB-CG2 3.49Å; H820-T1326 VanDerWaalsContact CB-CG2 3.49Å; H820-V1330 HydrophobicContact CB-CG2 4.29Å |
| 821 | V | 84.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 104.3 | -173.4 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | R678 Y680 L819 S1227 A1231 | R678-V821 HydrophobicContact CB-CB 4.32Å; R678-V821 PolarHBondContact N-O 3.46Å; R678-V821 PolarHBondContact O-N 2.95Å; Y680-V821 HydrophobicContact CD2-CB 4.38Å; Y680-V821 HydrophobicContact CD2-CG2 3.63Å; Y680-V821 HydrophobicContact CE2-CB 4.2Å; Y680-V821 HydrophobicContact CE2-CG2 3.79Å; L819-V821 HydrophobicContact CD2-CG2 4.17Å; L819-V821 HydrophobicContact CG-CG2 4.13Å; V821-S1227 VanDerWaalsContact CG1-OG 3.26Å; V821-S1227 WeakPolarHBondContact CG1-OG 3.16Å; V821-A1231 HydrophobicContact CG2-CB 3.81Å |
| 822 | I | 83.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -78.2 | 169.9 | -179.5 | 56.7 | 176.4 | 0 | 0 | 0 | 111.7 | L677 Y826 Y827 L1322 K1325 T1326 F1329 | L677-I822 HydrophobicContact CD1-CG2 4Å; I822-Y826 HydrophobicContact CB-CD2 4.38Å; I822-Y826 VanDerWaalsContact CD1-CB 3.43Å; I822-Y826 HydrophobicContact CD1-CD2 4.13Å; I822-Y826 HydrophobicContact CD1-CG 3.98Å; I822-Y826 HydrophobicContact CG1-CD2 4.39Å; I822-Y827 HydrophobicContact CG1-CE2 3.7Å; I822-Y827 WeakPolarHBondContact CG1-OH 3.48Å; I822-Y827 PolarHBondContact N-OH 2.89Å; I822-Y827 WeakPolarHBondContact O-CE2 3.25Å; I822-L1322 HydrophobicContact CD1-CD1 3.87Å; I822-K1325 HydrophobicContact CD1-CB 4.18Å; I822-T1326 HydrophobicContact CG2-CG2 4.32Å; I822-F1329 HydrophobicContact CG2-CB 3.9Å; I822-F1329 HydrophobicContact CG2-CD2 4.06Å; I822-F1329 HydrophobicContact CG2-CG 4Å | ||
| 823 | P | 80.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | trans | -49 | 138.6 | 172.2 | -35.4 | 41.4 | 0 | 0 | 0 | 113.9 | Q674 T675 Q825 Y826 F1329 | Q674-P823 WeakPolarHBondContact O-CB 3.49Å; T675-P823 WeakPolarHBondContact O-CG 3.3Å; P823-Q825 HydrophobicContact CB-CG 4.3Å; P823-Q825 PolarHBondContact O-N 3.13Å; P823-Q825 VanDerWaalsContact O-N 3.09Å; P823-Y826 HydrophobicContact CB-CD2 3.8Å; P823-Y826 HydrophobicContact CB-CE2 3.79Å; P823-Y826 HydrophobicContact CG-CD2 4.3Å; P823-Y826 HydrophobicContact CG-CE2 4.02Å; P823-Y826 WeakPolarHBondContact O-CD2 3.38Å; P823-Y826 PolarHBondContact O-N 3.41Å; P823-Y826 VanDerWaalsContact O-N 3.12Å; P823-F1329 HydrophobicContact CG-CE1 3.98Å; P823-F1329 HydrophobicContact CG-CZ 4.01Å | ||
| 824 | F | 79.2 | Confident | 85.8 | Confident | 52 Ų | 52 | 30.1 Ų | 30.1 | 23% | 0.228 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -54.3 | -36.8 | -169.9 | 178.8 | -110.1 | 0 | 0 | 0 | 114.2 | Q674 Y826 Y827 L1226 L1230 | Q674-F824 HydrophobicContact CG-CB 4.48Å; F824-Y826 PolarHBondContact O-N 3.22Å; F824-Y827 WeakPolarHBondContact O-CD2 3.36Å; F824-Y827 PolarHBondContact O-N 3.25Å; F824-Y827 VanDerWaalsContact O-N 3.08Å; F824-L1226 HydrophobicContact CE2-CB 4.35Å; F824-L1226 HydrophobicContact CE2-CD2 3.64Å; F824-L1226 HydrophobicContact CE2-CG 4.02Å; F824-L1226 HydrophobicContact CZ-CD2 3.85Å; F824-L1230 HydrophobicContact CD2-CD1 4.36Å; F824-L1230 HydrophobicContact CE2-CD1 3.74Å |
| 825 | Q | 80.1 | Confident | 85.9 | Confident | 129 Ų | 129 | 36.9 Ų | 36.9 | 60% | 0.603 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -53.9 | -26.7 | 179.7 | 66 | -171.7 | 9.5 | 0 | 0 | 114.9 | P823 Y827 | P823-Q825 HydrophobicContact CB-CG 4.3Å; P823-Q825 PolarHBondContact O-N 3.13Å; P823-Q825 VanDerWaalsContact O-N 3.09Å; Q825-Y827 VanDerWaalsContact C-N 3.32Å; Q825-Y827 PolarHBondContact O-N 2.91Å |
| 826 | Y | 86 | Confident | 86.1 | Confident | 78 Ų | 78 | 41.1 Ų | 41.1 | 31% | 0.306 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -77.4 | -15.2 | -178.8 | -64.7 | -69.6 | 0 | 0 | 0 | 113.9 | I822 P823 F824 E828 K1325 F1329 | I822-Y826 HydrophobicContact CB-CD2 4.38Å; I822-Y826 VanDerWaalsContact CD1-CB 3.43Å; I822-Y826 HydrophobicContact CD1-CD2 4.13Å; I822-Y826 HydrophobicContact CD1-CG 3.98Å; I822-Y826 HydrophobicContact CG1-CD2 4.39Å; P823-Y826 HydrophobicContact CB-CD2 3.8Å; P823-Y826 HydrophobicContact CB-CE2 3.79Å; P823-Y826 HydrophobicContact CG-CD2 4.3Å; P823-Y826 HydrophobicContact CG-CE2 4.02Å; P823-Y826 WeakPolarHBondContact O-CD2 3.38Å; P823-Y826 PolarHBondContact O-N 3.41Å; P823-Y826 VanDerWaalsContact O-N 3.12Å; F824-Y826 PolarHBondContact O-N 3.22Å; Y826-E828 VanDerWaalsContact C-N 3.31Å; Y826-K1325 HydrophobicContact CD1-CD 4.11Å; Y826-F1329 HydrophobicContact CD2-CE2 4.18Å; Y826-F1329 AromaticContact CE2-CE2 3.46Å; Y826-F1329 HydrophobicContact CE2-CE2 3.46Å; Y826-F1329 VanDerWaalsContact CE2-CE2 3.46Å; Y826-F1329 AromaticContact CE2-CZ 3.57Å; Y826-F1329 HydrophobicContact CE2-CZ 3.57Å; Y826-F1329 AromaticContact CZ-CE2 3.72Å; Y826-F1329 AromaticContact CZ-CZ 3.98Å |
| 827 | Y | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -84.5 | -1.5 | 177.8 | -61.3 | -87.1 | 0 | 0 | 0 | 113.4 | I822 F824 Q825 G829 F830 R831 L1230 A1231 L1322 | I822-Y827 HydrophobicContact CG1-CE2 3.7Å; I822-Y827 WeakPolarHBondContact CG1-OH 3.48Å; I822-Y827 PolarHBondContact N-OH 2.89Å; I822-Y827 WeakPolarHBondContact O-CE2 3.25Å; F824-Y827 WeakPolarHBondContact O-CD2 3.36Å; F824-Y827 PolarHBondContact O-N 3.25Å; F824-Y827 VanDerWaalsContact O-N 3.08Å; Q825-Y827 VanDerWaalsContact C-N 3.32Å; Q825-Y827 PolarHBondContact O-N 2.91Å; Y827-G829 PolarHBondContact O-N 3.34Å; Y827-F830 WeakPolarHBondContact O-CA 3.37Å; Y827-F830 WeakPolarHBondContact O-CB 3.19Å; Y827-F830 PolarHBondContact O-N 3.46Å; Y827-R831 PolarHBondContact O-N 3.26Å; Y827-L1230 HydrophobicContact CD1-CB 3.64Å; Y827-L1230 HydrophobicContact CE1-CB 4.05Å; Y827-L1230 HydrophobicContact CG-CB 4.02Å; Y827-L1230 HydrophobicContact CG-CD1 4.13Å; Y827-A1231 HydrophobicContact CE1-CB 4.16Å; Y827-A1231 WeakPolarHBondContact OH-CB 3.39Å; Y827-L1322 HydrophobicContact CD1-CD1 3.7Å; Y827-L1322 HydrophobicContact CD1-CD2 3.83Å; Y827-L1322 HydrophobicContact CD1-CG 4.36Å; Y827-L1322 HydrophobicContact CE1-CD1 3.83Å; Y827-L1322 HydrophobicContact CE1-CD2 3.86Å; Y827-L1322 HydrophobicContact CE1-CG 4.26Å; Y827-L1322 HydrophobicContact CG-CD1 4.3Å |
| 828 | E | 86.2 | Confident | 86.8 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.5 | -40.4 | -171.6 | -162.6 | 61.2 | -165.8 | 0 | 0 | 113.2 | Y826 F830 R831 Q832 | Y826-E828 VanDerWaalsContact C-N 3.31Å; E828-F830 VanDerWaalsContact C-N 3.27Å; E828-F830 PolarHBondContact O-N 2.59Å; E828-R831 PolarHBondContact O-N 3.02Å; E828-R831 IonicContact OE1-NH1 3.8Å; E828-R831 PolarHBondContact OE1-NH1 2.93Å; E828-R831 IonicContact OE2-CZ 2.75Å; E828-R831 IonicContact OE2-NH1 3.71Å; E828-R831 PolarHBondContact OE2-NH1 2.85Å; E828-Q832 PolarHBondContact O-N 3.23Å |
| 829 | G | 89 | Confident | 86.9 | Confident | 40 Ų | 40 | 43.6 Ų | 43.6 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.7 | -33.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y827 T833 | Y827-G829 PolarHBondContact O-N 3.34Å; G829-T833 WeakPolarHBondContact O-CB 3.34Å; G829-T833 PolarHBondContact O-N 2.95Å; G829-T833 VanDerWaalsContact O-N 3.08Å; G829-T833 PolarHBondContact O-OG1 3.36Å |
| 830 | F | 92.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.9 | -45.4 | 176.5 | -178.7 | -129.5 | 0 | 0 | 0 | 111.2 | Y827 E828 Q832 T833 I834 L1230 L1233 A1234 L1237 V1318 L1319 L1322 | Y827-F830 WeakPolarHBondContact O-CA 3.37Å; Y827-F830 WeakPolarHBondContact O-CB 3.19Å; Y827-F830 PolarHBondContact O-N 3.46Å; E828-F830 VanDerWaalsContact C-N 3.27Å; E828-F830 PolarHBondContact O-N 2.59Å; F830-Q832 PolarHBondContact O-N 3.46Å; F830-T833 PolarHBondContact O-N 3.02Å; F830-I834 HydrophobicContact CD1-CD1 4.15Å; F830-I834 HydrophobicContact CD2-CD1 4.28Å; F830-I834 HydrophobicContact CD2-CG1 4.32Å; F830-I834 HydrophobicContact CE1-CD1 3.85Å; F830-I834 HydrophobicContact CE2-CD1 3.98Å; F830-I834 HydrophobicContact CE2-CG1 4.09Å; F830-I834 HydrophobicContact CG-CD1 4.35Å; F830-I834 HydrophobicContact CZ-CD1 3.77Å; F830-I834 HydrophobicContact CZ-CG1 4.35Å; F830-I834 WeakPolarHBondContact O-CG1 3.45Å; F830-I834 PolarHBondContact O-N 3.44Å; F830-L1230 HydrophobicContact CD1-CD2 3.94Å; F830-L1230 HydrophobicContact CE1-CD2 4.11Å; F830-L1233 HydrophobicContact CE1-CD2 4.36Å; F830-L1233 HydrophobicContact CE1-CG 4.5Å; F830-L1233 HydrophobicContact CZ-CD2 4.26Å; F830-L1233 HydrophobicContact CZ-CG 4.23Å; F830-A1234 HydrophobicContact CD1-CB 4.41Å; F830-A1234 HydrophobicContact CE1-CB 3.82Å; F830-A1234 HydrophobicContact CZ-CB 3.98Å; F830-L1237 HydrophobicContact CE2-CD1 3.92Å; F830-L1237 HydrophobicContact CZ-CD1 3.81Å; F830-V1318 HydrophobicContact CB-CG1 3.89Å; F830-L1319 HydrophobicContact CD2-CD2 4.12Å; F830-L1319 HydrophobicContact CE2-CD2 3.64Å; F830-L1319 HydrophobicContact CE2-CG 4.38Å; F830-L1319 HydrophobicContact CZ-CD2 4.05Å; F830-L1322 HydrophobicContact CD1-CD2 4.41Å |
| 831 | R | 91.5 | Very high | 87.3 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.6 | -49.1 | 172.9 | -78.3 | -179.1 | 71.5 | -105.4 | -0.4 | 111.8 | Y827 E828 I834 R835 E872 L873 L1230 | Y827-R831 PolarHBondContact O-N 3.26Å; E828-R831 PolarHBondContact O-N 3.02Å; E828-R831 IonicContact OE1-NH1 3.8Å; E828-R831 PolarHBondContact OE1-NH1 2.93Å; E828-R831 IonicContact OE2-CZ 2.75Å; E828-R831 IonicContact OE2-NH1 3.71Å; E828-R831 PolarHBondContact OE2-NH1 2.85Å; R831-I834 PolarHBondContact O-N 3.32Å; R831-R835 PolarHBondContact O-N 2.91Å; R831-E872 IonicContact CZ-OE1 3.25Å; R831-E872 IonicContact CZ-OE2 3.63Å; R831-E872 IonicContact NE-OE1 2.84Å; R831-E872 IonicContact NE-OE2 2.73Å; R831-E872 PolarHBondContact NE-OE2 2.82Å; R831-E872 IonicContact NH2-OE1 3.24Å; R831-E872 PolarHBondContact NH2-OE1 2.89Å; R831-E872 IonicContact NH2-OE2 2.74Å; R831-E872 PolarHBondContact NH2-OE2 3.34Å; R831-L873 HydrophobicContact CB-CD2 3.81Å; R831-L873 HydrophobicContact CG-CD2 4.07Å; R831-L1230 HydrophobicContact CG-CD1 4.07Å; R831-L1230 HydrophobicContact CG-CD2 3.97Å |
| 832 | Q | 89.7 | Confident | 87.6 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 179.8 | -168.2 | 61.9 | 49.8 | 0 | 0 | 112.8 | E828 F830 R835 N836 | E828-Q832 PolarHBondContact O-N 3.23Å; F830-Q832 PolarHBondContact O-N 3.46Å; Q832-R835 PolarHBondContact O-N 3.04Å; Q832-N836 PolarHBondContact NE2-OD1 2.86Å; Q832-N836 WeakPolarHBondContact O-CB 3.27Å; Q832-N836 VanDerWaalsContact O-CG 3.27Å; Q832-N836 PolarHBondContact O-N 2.85Å; Q832-N836 PolarHBondContact O-OD1 2.65Å |
| 833 | T | 91.3 | Very high | 88 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 14% | 0.135 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | 177.1 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | G829 F830 R835 N836 C837 H1314 I1315 | G829-T833 WeakPolarHBondContact O-CB 3.34Å; G829-T833 PolarHBondContact O-N 2.95Å; G829-T833 VanDerWaalsContact O-N 3.08Å; G829-T833 PolarHBondContact O-OG1 3.36Å; F830-T833 PolarHBondContact O-N 3.02Å; T833-R835 VanDerWaalsContact C-N 3.27Å; T833-R835 PolarHBondContact O-N 2.87Å; T833-N836 PolarHBondContact O-N 3.42Å; T833-C837 HydrophobicContact CG2-CB 4.48Å; T833-C837 VanDerWaalsContact O-CB 3.3Å; T833-C837 WeakPolarHBondContact O-CB 3.47Å; T833-C837 PolarHBondContact O-N 3.11Å; T833-H1314 HydrophobicContact CG2-CB 4.37Å; T833-I1315 HydrophobicContact CG2-CG1 3.94Å |
| 834 | I | 91.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57 | -43.8 | 171.5 | -68.4 | 168.6 | 0 | 0 | 0 | 110.5 | F830 R831 M838 F842 T869 L873 L1233 | F830-I834 HydrophobicContact CD1-CD1 4.15Å; F830-I834 HydrophobicContact CD2-CD1 4.28Å; F830-I834 HydrophobicContact CD2-CG1 4.32Å; F830-I834 HydrophobicContact CE1-CD1 3.85Å; F830-I834 HydrophobicContact CE2-CD1 3.98Å; F830-I834 HydrophobicContact CE2-CG1 4.09Å; F830-I834 HydrophobicContact CG-CD1 4.35Å; F830-I834 HydrophobicContact CZ-CD1 3.77Å; F830-I834 HydrophobicContact CZ-CG1 4.35Å; F830-I834 WeakPolarHBondContact O-CG1 3.45Å; F830-I834 PolarHBondContact O-N 3.44Å; R831-I834 PolarHBondContact O-N 3.32Å; I834-M838 HydrophobicContact CG2-CE 4.43Å; I834-M838 WeakPolarHBondContact O-CA 3.47Å; I834-M838 PolarHBondContact O-N 3.43Å; I834-F842 HydrophobicContact CB-CE2 4.39Å; I834-F842 HydrophobicContact CD1-CE2 4.15Å; I834-F842 HydrophobicContact CD1-CZ 4.44Å; I834-F842 HydrophobicContact CG1-CD2 4.07Å; I834-F842 HydrophobicContact CG1-CE2 3.7Å; I834-F842 HydrophobicContact CG1-CZ 4.23Å; I834-F842 HydrophobicContact CG2-CD1 4.23Å; I834-F842 HydrophobicContact CG2-CD2 4.32Å; I834-F842 HydrophobicContact CG2-CE1 3.89Å; I834-F842 HydrophobicContact CG2-CE2 3.99Å; I834-F842 HydrophobicContact CG2-CG 4.43Å; I834-F842 HydrophobicContact CG2-CZ 3.75Å; I834-T869 HydrophobicContact CD1-CG2 3.98Å; I834-L873 HydrophobicContact CB-CD1 3.92Å; I834-L873 HydrophobicContact CD1-CD1 4.3Å; I834-L873 HydrophobicContact CG2-CD1 3.69Å; I834-L1233 HydrophobicContact CD1-CD2 4.11Å |
| 835 | R | 88.5 | Confident | 89.1 | Confident | 141 Ų | 141 | 47.1 Ų | 47.1 | 53% | 0.532 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.1 | -42.9 | -179.5 | -160.7 | 176.5 | -167.5 | -176.3 | 4.8 | 112.5 | R831 Q832 T833 | R831-R835 PolarHBondContact O-N 2.91Å; Q832-R835 PolarHBondContact O-N 3.04Å; T833-R835 VanDerWaalsContact C-N 3.27Å; T833-R835 PolarHBondContact O-N 2.87Å |
| 836 | N | 90.4 | Very high | 89.6 | Confident | 112 Ų | 112 | 41 Ų | 41 | 60% | 0.599 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -73 | -36.4 | -178.3 | -70.6 | -1.9 | 0 | 0 | 0 | 113.2 | Q832 T833 | Q832-N836 PolarHBondContact NE2-OD1 2.86Å; Q832-N836 WeakPolarHBondContact O-CB 3.27Å; Q832-N836 VanDerWaalsContact O-CG 3.27Å; Q832-N836 PolarHBondContact O-N 2.85Å; Q832-N836 PolarHBondContact O-OD1 2.65Å; T833-N836 PolarHBondContact O-N 3.42Å |
| 837 | C | 89.5 | Confident | 89.8 | Confident | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.108 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 18 | -171.3 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | T833 N839 S840 E841 F842 | T833-C837 HydrophobicContact CG2-CB 4.48Å; T833-C837 VanDerWaalsContact O-CB 3.3Å; T833-C837 WeakPolarHBondContact O-CB 3.47Å; T833-C837 PolarHBondContact O-N 3.11Å; C837-N839 PolarHBondContact O-N 3.36Å; C837-S840 PolarHBondContact O-N 2.7Å; C837-S840 PolarHBondContact O-OG 2.78Å; C837-E841 HydrophobicContact CB-CB 4.2Å; C837-E841 HydrophobicContact CB-CG 4.44Å; C837-E841 PolarHBondContact O-N 2.98Å; C837-F842 PolarHBondContact O-N 3.33Å |
| 838 | M | 88.6 | Confident | 89.7 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -50.7 | -56.7 | -172.8 | 177.2 | 155.1 | -69 | 0 | 0 | 112.9 | I834 I843 T870 C875 E878 L879 | I834-M838 HydrophobicContact CG2-CE 4.43Å; I834-M838 WeakPolarHBondContact O-CA 3.47Å; I834-M838 PolarHBondContact O-N 3.43Å; M838-I843 HydrophobicContact CG-CD1 4.09Å; M838-I843 HydrophobicContact CG-CG1 4.48Å; M838-I843 WeakPolarHBondContact O-CG1 3.44Å; M838-I843 PolarHBondContact O-N 2.98Å; M838-T870 HydrophobicContact CE-CG2 4.29Å; M838-C875 HydrophobicContact CE-CB 3.64Å; M838-C875 WeakPolarHBondContact CE-SG 3.23Å; M838-C875 HydrophobicContact SD-CB 4.08Å; M838-E878 HydrophobicContact SD-CB 4.25Å; M838-E878 HydrophobicContact SD-CG 4.03Å; M838-L879 HydrophobicContact SD-CB 4.42Å |
| 839 | N | 85.7 | Confident | 89.8 | Confident | 88 Ų | 88 | 36.5 Ų | 36.5 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -88.6 | -14.1 | -171.6 | -61.6 | -39.7 | 0 | 0 | 0 | 113.7 | C837 E878 N882 | C837-N839 PolarHBondContact O-N 3.36Å; N839-E878 PolarHBondContact ND2-OE1 2.99Å; N839-N882 PolarHBondContact OD1-ND2 3.38Å |
| 840 | S | 86.8 | Confident | 89.8 | Confident | 75 Ų | 75 | 36 Ų | 36 | 52% | 0.524 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -94.5 | -52.4 | -178.3 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | C837 | C837-S840 PolarHBondContact O-N 2.7Å; C837-S840 PolarHBondContact O-OG 2.78Å |
| 841 | E | 89.4 | Confident | 89.5 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -116.6 | -40.3 | -170.9 | -60 | -175.3 | -166 | 0 | 0 | 112.2 | C837 L845 S1312 H1314 I1315 | C837-E841 HydrophobicContact CB-CB 4.2Å; C837-E841 HydrophobicContact CB-CG 4.44Å; C837-E841 PolarHBondContact O-N 2.98Å; E841-L845 WeakPolarHBondContact O-CB 3.37Å; E841-L845 PolarHBondContact O-N 2.91Å; E841-L845 VanDerWaalsContact O-N 3.17Å; E841-S1312 WeakPolarHBondContact OE2-CA 3.33Å; E841-H1314 IonicContact OE1-CE1 3.44Å; E841-H1314 IonicContact OE1-CG 3.93Å; E841-H1314 IonicContact OE1-ND1 2.83Å; E841-H1314 PolarHBondContact OE1-ND1 3.21Å; E841-H1314 PolarHBondContact OE2-N 2.95Å; E841-H1314 VanDerWaalsContact OE2-N 3.14Å; E841-H1314 IonicContact OE2-ND1 2.6Å; E841-I1315 HydrophobicContact CB-CD1 3.51Å; E841-I1315 HydrophobicContact CB-CG1 4.12Å; E841-I1315 PolarHBondContact OE2-N 3.28Å |
| 842 | F | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -72.9 | -46.4 | -167.7 | -177.3 | -107 | 0 | 0 | 0 | 113.2 | I834 C837 L845 C846 L866 T870 L879 L1233 L1237 I1315 | I834-F842 HydrophobicContact CB-CE2 4.39Å; I834-F842 HydrophobicContact CD1-CE2 4.15Å; I834-F842 HydrophobicContact CD1-CZ 4.44Å; I834-F842 HydrophobicContact CG1-CD2 4.07Å; I834-F842 HydrophobicContact CG1-CE2 3.7Å; I834-F842 HydrophobicContact CG1-CZ 4.23Å; I834-F842 HydrophobicContact CG2-CD1 4.23Å; I834-F842 HydrophobicContact CG2-CD2 4.32Å; I834-F842 HydrophobicContact CG2-CE1 3.89Å; I834-F842 HydrophobicContact CG2-CE2 3.99Å; I834-F842 HydrophobicContact CG2-CG 4.43Å; I834-F842 HydrophobicContact CG2-CZ 3.75Å; C837-F842 PolarHBondContact O-N 3.33Å; F842-L845 PolarHBondContact O-N 3.34Å; F842-C846 WeakPolarHBondContact O-CB 3.15Å; F842-C846 PolarHBondContact O-N 3.16Å; F842-C846 PolarHBondContact O-SG 3.24Å; F842-L866 HydrophobicContact CE1-CD1 3.72Å; F842-L866 HydrophobicContact CZ-CD1 3.46Å; F842-L866 VanDerWaalsContact CZ-CD1 3.46Å; F842-T870 HydrophobicContact CE1-CG2 4.4Å; F842-L879 HydrophobicContact CE1-CD1 4.4Å; F842-L1233 HydrophobicContact CZ-CD2 4.41Å; F842-L1237 HydrophobicContact CD2-CD1 4.37Å; F842-L1237 HydrophobicContact CE2-CD1 3.96Å; F842-I1315 VanDerWaalsContact CA-CD1 3.46Å; F842-I1315 HydrophobicContact CB-CD1 3.76Å; F842-I1315 HydrophobicContact CD2-CD1 4.17Å; F842-I1315 HydrophobicContact CG-CD1 4.49Å |
| 843 | I | 91.8 | Very high | 88.3 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -49.1 | 177.6 | -78 | 172.1 | 0 | 0 | 0 | 112.1 | M838 L845 C846 I847 L879 N882 L883 I886 | M838-I843 HydrophobicContact CG-CD1 4.09Å; M838-I843 HydrophobicContact CG-CG1 4.48Å; M838-I843 WeakPolarHBondContact O-CG1 3.44Å; M838-I843 PolarHBondContact O-N 2.98Å; I843-L845 VanDerWaalsContact C-N 3.34Å; I843-L845 PolarHBondContact O-N 3.03Å; I843-C846 PolarHBondContact O-N 3.39Å; I843-I847 HydrophobicContact CG2-CD1 3.9Å; I843-I847 WeakPolarHBondContact O-CG1 3.45Å; I843-I847 PolarHBondContact O-N 3.32Å; I843-L879 HydrophobicContact CD1-CD1 4.12Å; I843-L879 HydrophobicContact CG1-CD1 3.68Å; I843-N882 HydrophobicContact CD1-CB 3.59Å; I843-L883 HydrophobicContact CG2-CD2 3.96Å; I843-I886 HydrophobicContact CG2-CD1 3.71Å |
| 844 | P | 90.1 | Very high | 86.5 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.8 | -43.2 | 173.9 | -30.1 | 38.3 | 0 | 0 | 0 | 114 | I847 H848 Y1307 | P844-I847 PolarHBondContact O-N 3.37Å; P844-H848 PolarHBondContact O-N 3.27Å; P844-H848 VanDerWaalsContact O-N 3.09Å; P844-Y1307 VanDerWaalsContact CB-OH 3.25Å; P844-Y1307 WeakPolarHBondContact CB-OH 3.45Å |
| 845 | L | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 175.9 | -178.8 | 68.2 | 0 | 0 | 0 | 111.7 | E841 F842 I843 I847 H848 V849 L1237 A1240 Y1241 Y1307 I1315 | E841-L845 WeakPolarHBondContact O-CB 3.37Å; E841-L845 PolarHBondContact O-N 2.91Å; E841-L845 VanDerWaalsContact O-N 3.17Å; F842-L845 PolarHBondContact O-N 3.34Å; I843-L845 VanDerWaalsContact C-N 3.34Å; I843-L845 PolarHBondContact O-N 3.03Å; L845-I847 VanDerWaalsContact C-N 3.29Å; L845-I847 PolarHBondContact O-N 3.5Å; L845-H848 PolarHBondContact O-N 3.08Å; L845-H848 VanDerWaalsContact O-N 3.07Å; L845-V849 HydrophobicContact CG-CG2 4.47Å; L845-V849 VanDerWaalsContact O-CG2 3.31Å; L845-V849 WeakPolarHBondContact O-CG2 3.11Å; L845-V849 PolarHBondContact O-N 3.45Å; L845-L1237 HydrophobicContact CD2-CB 4.11Å; L845-L1237 HydrophobicContact CD2-CD1 4.22Å; L845-L1237 HydrophobicContact CD2-CD2 3.95Å; L845-L1237 HydrophobicContact CD2-CG 4.3Å; L845-L1237 HydrophobicContact CG-CD2 4.13Å; L845-A1240 HydrophobicContact CD1-CB 4.37Å; L845-Y1241 HydrophobicContact CD1-CE1 4.44Å; L845-Y1241 HydrophobicContact CD1-CE2 4.01Å; L845-Y1241 HydrophobicContact CD2-CE2 4.08Å; L845-Y1241 WeakPolarHBondContact CD2-OH 3.42Å; L845-Y1307 HydrophobicContact CB-CE1 4.25Å; L845-Y1307 HydrophobicContact CD1-CD1 3.46Å; L845-Y1307 VanDerWaalsContact CD1-CD1 3.46Å; L845-Y1307 HydrophobicContact CD1-CE1 3.92Å; L845-Y1307 HydrophobicContact CD1-CG 3.87Å; L845-I1315 HydrophobicContact CD2-CD1 4.3Å; L845-I1315 HydrophobicContact CD2-CG2 3.75Å |
| 846 | C | 91.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 177.2 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | F842 I843 W850 F862 L902 | F842-C846 WeakPolarHBondContact O-CB 3.15Å; F842-C846 PolarHBondContact O-N 3.16Å; F842-C846 PolarHBondContact O-SG 3.24Å; I843-C846 PolarHBondContact O-N 3.39Å; C846-W850 WeakPolarHBondContact O-CB 3.26Å; C846-W850 PolarHBondContact O-N 2.9Å; C846-F862 HydrophobicContact CB-CZ 4.23Å; C846-L902 HydrophobicContact CB-CD2 3.87Å |
| 847 | I | 89.7 | Confident | 81.5 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.179 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 174.6 | -69.1 | 167.5 | 0 | 0 | 0 | 111.5 | I843 P844 L845 K851 L883 I886 | I843-I847 HydrophobicContact CG2-CD1 3.9Å; I843-I847 WeakPolarHBondContact O-CG1 3.45Å; I843-I847 PolarHBondContact O-N 3.32Å; P844-I847 PolarHBondContact O-N 3.37Å; L845-I847 VanDerWaalsContact C-N 3.29Å; L845-I847 PolarHBondContact O-N 3.5Å; I847-K851 HydrophobicContact CG2-CD 4.35Å; I847-K851 VanDerWaalsContact O-CG 3.29Å; I847-K851 WeakPolarHBondContact O-CG 3.28Å; I847-K851 PolarHBondContact O-N 2.96Å; I847-L883 HydrophobicContact CD1-CD2 3.88Å; I847-L883 HydrophobicContact CG1-CD2 3.64Å; I847-I886 HydrophobicContact CD1-CD1 3.55Å; I847-I886 HydrophobicContact CD1-CG2 4.34Å |
| 848 | H | 88.3 | Confident | 80.5 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.9 | -47 | 174.6 | 177.2 | 94.9 | 0 | 0 | 0 | 111.4 | P844 L845 W850 K851 S852 Y1307 | P844-H848 PolarHBondContact O-N 3.27Å; P844-H848 VanDerWaalsContact O-N 3.09Å; L845-H848 PolarHBondContact O-N 3.08Å; L845-H848 VanDerWaalsContact O-N 3.07Å; H848-W850 VanDerWaalsContact C-N 3.3Å; H848-W850 PolarHBondContact O-N 3Å; H848-K851 WeakPolarHBondContact O-CB 3.43Å; H848-K851 PolarHBondContact O-N 2.99Å; H848-S852 PolarHBondContact O-N 3.46Å; H848-S852 VanDerWaalsContact O-N 3.16Å; H848-Y1307 HydrophobicContact CB-CD2 3.62Å; H848-Y1307 HydrophobicContact CB-CE2 3.9Å; H848-Y1307 HydrophobicContact CB-CG 4.49Å; H848-Y1307 AromaticContact CD2-CD2 3.95Å; H848-Y1307 AromaticContact CG-CD2 3.46Å; H848-Y1307 VanDerWaalsContact CG-CD2 3.46Å; H848-Y1307 AromaticContact ND1-CD2 3.65Å |
| 849 | V | 88.3 | Confident | 80 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | L845 K851 S852 F853 F862 L1237 A1240 | L845-V849 HydrophobicContact CG-CG2 4.47Å; L845-V849 VanDerWaalsContact O-CG2 3.31Å; L845-V849 WeakPolarHBondContact O-CG2 3.11Å; L845-V849 PolarHBondContact O-N 3.45Å; V849-K851 VanDerWaalsContact C-N 3.28Å; V849-K851 PolarHBondContact O-N 3.43Å; V849-S852 PolarHBondContact O-N 3.02Å; V849-S852 PolarHBondContact O-OG 3.5Å; V849-F853 HydrophobicContact CG1-CE2 3.71Å; V849-F853 HydrophobicContact CG1-CZ 3.76Å; V849-F853 VanDerWaalsContact O-CD2 3.25Å; V849-F853 WeakPolarHBondContact O-CD2 3.45Å; V849-F853 WeakPolarHBondContact O-CE2 3.36Å; V849-F862 HydrophobicContact CB-CE2 4.29Å; V849-F862 HydrophobicContact CB-CZ 4.08Å; V849-F862 HydrophobicContact CG1-CD2 3.92Å; V849-F862 HydrophobicContact CG1-CE1 4.25Å; V849-F862 HydrophobicContact CG1-CE2 3.52Å; V849-F862 HydrophobicContact CG1-CG 4.45Å; V849-F862 HydrophobicContact CG1-CZ 3.7Å; V849-L1237 HydrophobicContact CG2-CD2 4.05Å; V849-A1240 HydrophobicContact CG2-CB 3.64Å |
| 850 | W | 88.6 | Confident | 79.6 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -37.7 | 174.5 | -179.7 | -106.1 | 0 | 0 | 0 | 113.2 | C846 H848 F853 Q859 F862 V863 S900 L902 Q905 | C846-W850 WeakPolarHBondContact O-CB 3.26Å; C846-W850 PolarHBondContact O-N 2.9Å; H848-W850 VanDerWaalsContact C-N 3.3Å; H848-W850 PolarHBondContact O-N 3Å; W850-F853 HydrophobicContact CE3-CD2 4.45Å; W850-Q859 HydrophobicContact CE3-CB 4.47Å; W850-Q859 HydrophobicContact CE3-CG 4.38Å; W850-Q859 HydrophobicContact CH2-CB 3.73Å; W850-Q859 HydrophobicContact CH2-CG 3.93Å; W850-Q859 HydrophobicContact CZ3-CB 3.52Å; W850-Q859 HydrophobicContact CZ3-CG 3.78Å; W850-F862 HydrophobicContact CE3-CD1 4.29Å; W850-V863 HydrophobicContact CE3-CG2 4.09Å; W850-V863 HydrophobicContact CH2-CG2 4.3Å; W850-V863 HydrophobicContact CZ3-CG2 3.53Å; W850-S900 WeakPolarHBondContact CZ2-O 3.46Å; W850-S900 PolarHBondContact NE1-O 3.39Å; W850-L902 HydrophobicContact CB-CB 4.1Å; W850-L902 HydrophobicContact CB-CD1 4.3Å; W850-L902 HydrophobicContact CB-CD2 4.2Å; W850-L902 HydrophobicContact CB-CG 4.43Å; W850-L902 HydrophobicContact CD2-CB 4.03Å; W850-L902 HydrophobicContact CD2-CD1 3.88Å; W850-L902 HydrophobicContact CE3-CD1 3.6Å; W850-L902 HydrophobicContact CG-CB 3.74Å; W850-L902 HydrophobicContact CG-CD1 4.18Å; W850-L902 HydrophobicContact CG-CG 4.4Å; W850-L902 HydrophobicContact CZ3-CD1 4.26Å; W850-Q905 HydrophobicContact CH2-CB 4.37Å; W850-Q905 HydrophobicContact CH2-CG 3.87Å; W850-Q905 HydrophobicContact CZ2-CG 3.81Å |
| 851 | K | 85.3 | Confident | 79.2 | Confident | 164 Ų | 164 | 49.8 Ų | 49.8 | 71% | 0.713 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -74.5 | -24.4 | -179.6 | -72.8 | 168.6 | -179.5 | 178 | 0 | 113.6 | I847 H848 V849 | I847-K851 HydrophobicContact CG2-CD 4.35Å; I847-K851 VanDerWaalsContact O-CG 3.29Å; I847-K851 WeakPolarHBondContact O-CG 3.28Å; I847-K851 PolarHBondContact O-N 2.96Å; H848-K851 WeakPolarHBondContact O-CB 3.43Å; H848-K851 PolarHBondContact O-N 2.99Å; V849-K851 VanDerWaalsContact C-N 3.28Å; V849-K851 PolarHBondContact O-N 3.43Å |
| 852 | S | 80.9 | Confident | 79.2 | Confident | 74 Ų | 74 | 49 Ų | 49 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -81 | -17.3 | -179.1 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | H848 V849 A854 | H848-S852 PolarHBondContact O-N 3.46Å; H848-S852 VanDerWaalsContact O-N 3.16Å; V849-S852 PolarHBondContact O-N 3.02Å; V849-S852 PolarHBondContact O-OG 3.5Å; S852-A854 PolarHBondContact O-N 2.86Å |
| 853 | F | 75.2 | Confident | 79.1 | Confident | 19 Ų | 19 | 49 Ų | 49 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | trans | -72.2 | 93 | -179.9 | -67.3 | -54.3 | 0 | 0 | 0 | 113.8 | V849 W850 H855 N858 Q859 F862 Y1236 | V849-F853 HydrophobicContact CG1-CE2 3.71Å; V849-F853 HydrophobicContact CG1-CZ 3.76Å; V849-F853 VanDerWaalsContact O-CD2 3.25Å; V849-F853 WeakPolarHBondContact O-CD2 3.45Å; V849-F853 WeakPolarHBondContact O-CE2 3.36Å; W850-F853 HydrophobicContact CE3-CD2 4.45Å; F853-H855 PolarHBondContact O-N 3.37Å; F853-H855 VanDerWaalsContact O-N 3.16Å; F853-N858 HydrophobicContact CD1-CB 3.77Å; F853-N858 HydrophobicContact CE1-CB 3.86Å; F853-Q859 HydrophobicContact CB-CG 3.51Å; F853-Q859 HydrophobicContact CD2-CG 4.01Å; F853-Q859 HydrophobicContact CG-CG 4.01Å; F853-Q859 PolarHBondContact O-NE2 3.17Å; F853-F862 HydrophobicContact CE2-CB 3.59Å; F853-F862 AromaticContact CE2-CD1 3.69Å; F853-F862 HydrophobicContact CE2-CD1 3.69Å; F853-F862 HydrophobicContact CE2-CD2 4.18Å; F853-F862 HydrophobicContact CE2-CE1 4.4Å; F853-F862 AromaticContact CE2-CG 3.55Å; F853-F862 HydrophobicContact CE2-CG 3.55Å; F853-F862 HydrophobicContact CZ-CB 3.71Å; F853-F862 HydrophobicContact CZ-CD1 4.47Å; F853-F862 HydrophobicContact CZ-CD2 4.21Å; F853-F862 AromaticContact CZ-CG 3.89Å; F853-F862 HydrophobicContact CZ-CG 3.89Å; F853-Y1236 AromaticContact CE1-CD1 3.81Å; F853-Y1236 HydrophobicContact CE1-CD1 3.81Å; F853-Y1236 AromaticContact CE1-CE1 3.82Å; F853-Y1236 HydrophobicContact CE1-CE1 3.82Å; F853-Y1236 AromaticContact CZ-CD1 3.74Å; F853-Y1236 HydrophobicContact CZ-CD1 3.74Å; F853-Y1236 AromaticContact CZ-CE1 3.99Å; F853-Y1236 HydrophobicContact CZ-CE1 3.99Å; F853-Y1236 HydrophobicContact CZ-CG 4.09Å | ||
| 854 | A | 54.4 | Low | 78.8 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 72% | 0.719 | 27% | 0.272 | S | S | * | . | trans | -67.4 | -6.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S852 | S852-A854 PolarHBondContact O-N 2.86Š| ||
| 855 | H | 52.7 | Low | 78.6 | Confident | 113 Ų | 113 | 47.9 Ų | 47.9 | 52% | 0.523 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -139.1 | 129.5 | -175.1 | -69 | -25.3 | 0 | 0 | 0 | 113.2 | F853 M857 N858 | F853-H855 PolarHBondContact O-N 3.37Å; F853-H855 VanDerWaalsContact O-N 3.16Å; H855-M857 VanDerWaalsContact C-N 3.26Å; H855-M857 PolarHBondContact O-N 3.17Å; H855-M857 VanDerWaalsContact O-N 3.08Å; H855-N858 PolarHBondContact O-N 3.03Å |
| 856 | N | 54.8 | Low | 78.7 | Confident | 102 Ų | 102 | 47.9 Ų | 47.9 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -20.9 | -170.4 | -58.8 | 12.5 | 0 | 0 | 0 | 115.9 | ||
| 857 | M | 56.8 | Low | 78.7 | Confident | 117 Ų | 117 | 48 Ų | 48 | 58% | 0.576 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.8 | -46.3 | -177.2 | -65.2 | -57.6 | -162.6 | 0 | 0 | 112.2 | H855 Q859 L860 | H855-M857 VanDerWaalsContact C-N 3.26Å; H855-M857 PolarHBondContact O-N 3.17Å; H855-M857 VanDerWaalsContact O-N 3.08Å; M857-Q859 VanDerWaalsContact C-N 3.27Å; M857-Q859 PolarHBondContact O-N 3.3Å; M857-L860 PolarHBondContact O-N 2.8Å |
| 858 | N | 68.4 | Low | 78.5 | Confident | 54 Ų | 54 | 47 Ų | 47 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 178.7 | -68.9 | -8.2 | 0 | 0 | 0 | 112 | F853 H855 L860 S861 F862 Y1236 | F853-N858 HydrophobicContact CD1-CB 3.77Å; F853-N858 HydrophobicContact CE1-CB 3.86Å; H855-N858 PolarHBondContact O-N 3.03Å; N858-L860 VanDerWaalsContact C-N 3.31Å; N858-L860 PolarHBondContact O-N 2.93Å; N858-S861 PolarHBondContact O-N 2.97Å; N858-F862 WeakPolarHBondContact O-CB 3.49Å; N858-F862 PolarHBondContact O-N 2.98Å; N858-Y1236 HydrophobicContact CB-CE1 4.49Å |
| 859 | Q | 78.5 | Confident | 78.5 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.2 | -43.4 | 176.4 | -71.8 | 178.2 | 1.2 | 0 | 0 | 112 | W850 F853 M857 V863 | W850-Q859 HydrophobicContact CE3-CB 4.47Å; W850-Q859 HydrophobicContact CE3-CG 4.38Å; W850-Q859 HydrophobicContact CH2-CB 3.73Å; W850-Q859 HydrophobicContact CH2-CG 3.93Å; W850-Q859 HydrophobicContact CZ3-CB 3.52Å; W850-Q859 HydrophobicContact CZ3-CG 3.78Å; F853-Q859 HydrophobicContact CB-CG 3.51Å; F853-Q859 HydrophobicContact CD2-CG 4.01Å; F853-Q859 HydrophobicContact CG-CG 4.01Å; F853-Q859 PolarHBondContact O-NE2 3.17Å; M857-Q859 VanDerWaalsContact C-N 3.27Å; M857-Q859 PolarHBondContact O-N 3.3Å; Q859-V863 WeakPolarHBondContact O-CB 3.46Å; Q859-V863 VanDerWaalsContact O-CG2 3.27Å; Q859-V863 WeakPolarHBondContact O-CG2 3.38Å; Q859-V863 PolarHBondContact O-N 3.32Å |
| 860 | L | 78.5 | Confident | 78.6 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.8 | -42.6 | 179.1 | 178.4 | 58.2 | 0 | 0 | 0 | 111.9 | M857 N858 V863 T864 I909 I1102 | M857-L860 PolarHBondContact O-N 2.8Å; N858-L860 VanDerWaalsContact C-N 3.31Å; N858-L860 PolarHBondContact O-N 2.93Å; L860-V863 PolarHBondContact O-N 2.69Å; L860-T864 WeakPolarHBondContact O-CB 3.34Å; L860-T864 PolarHBondContact O-N 2.66Å; L860-T864 PolarHBondContact O-OG1 2.85Å; L860-I909 HydrophobicContact CD1-CD1 3.89Å; L860-I1102 HydrophobicContact CD1-CD1 3.6Å; L860-I1102 HydrophobicContact CD1-CG1 4.02Å; L860-I1102 HydrophobicContact CD2-CG1 4.4Å |
| 861 | S | 78.7 | Confident | 78.6 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -50 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | N858 V863 T864 S865 Y1236 | N858-S861 PolarHBondContact O-N 2.97Å; S861-V863 PolarHBondContact O-N 3.48Å; S861-T864 PolarHBondContact O-N 3.17Å; S861-T864 VanDerWaalsContact O-N 3.16Å; S861-S865 PolarHBondContact O-N 3Å; S861-S865 PolarHBondContact O-OG 3.16Å; S861-Y1236 WeakPolarHBondContact CB-OH 2.93Å |
| 862 | F | 88.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.6 | -49.4 | 175.9 | 173 | -105.7 | 0 | 0 | 0 | 112.4 | C846 V849 W850 F853 N858 T864 S865 L866 L902 L1233 Y1236 L1237 | C846-F862 HydrophobicContact CB-CZ 4.23Å; V849-F862 HydrophobicContact CB-CE2 4.29Å; V849-F862 HydrophobicContact CB-CZ 4.08Å; V849-F862 HydrophobicContact CG1-CD2 3.92Å; V849-F862 HydrophobicContact CG1-CE1 4.25Å; V849-F862 HydrophobicContact CG1-CE2 3.52Å; V849-F862 HydrophobicContact CG1-CG 4.45Å; V849-F862 HydrophobicContact CG1-CZ 3.7Å; W850-F862 HydrophobicContact CE3-CD1 4.29Å; F853-F862 HydrophobicContact CE2-CB 3.59Å; F853-F862 AromaticContact CE2-CD1 3.69Å; F853-F862 HydrophobicContact CE2-CD1 3.69Å; F853-F862 HydrophobicContact CE2-CD2 4.18Å; F853-F862 HydrophobicContact CE2-CE1 4.4Å; F853-F862 AromaticContact CE2-CG 3.55Å; F853-F862 HydrophobicContact CE2-CG 3.55Å; F853-F862 HydrophobicContact CZ-CB 3.71Å; F853-F862 HydrophobicContact CZ-CD1 4.47Å; F853-F862 HydrophobicContact CZ-CD2 4.21Å; F853-F862 AromaticContact CZ-CG 3.89Å; F853-F862 HydrophobicContact CZ-CG 3.89Å; N858-F862 WeakPolarHBondContact O-CB 3.49Å; N858-F862 PolarHBondContact O-N 2.98Å; F862-T864 VanDerWaalsContact C-N 3.3Å; F862-T864 PolarHBondContact O-N 3.31Å; F862-S865 PolarHBondContact O-N 3.18Å; F862-L866 HydrophobicContact CE1-CD2 3.97Å; F862-L866 HydrophobicContact CZ-CD2 4Å; F862-L866 WeakPolarHBondContact O-CB 3.05Å; F862-L866 PolarHBondContact O-N 3.1Å; F862-L902 HydrophobicContact CD1-CD1 4.27Å; F862-L902 HydrophobicContact CE1-CD1 3.84Å; F862-L902 HydrophobicContact CE1-CD2 4.23Å; F862-L1233 HydrophobicContact CD2-CD1 4.24Å; F862-L1233 HydrophobicContact CE2-CD1 3.81Å; F862-Y1236 HydrophobicContact CB-CD2 3.91Å; F862-Y1236 HydrophobicContact CB-CE2 3.85Å; F862-Y1236 AromaticContact CD2-CD2 3.74Å; F862-Y1236 HydrophobicContact CD2-CD2 3.74Å; F862-Y1236 HydrophobicContact CD2-CG 4.03Å; F862-Y1236 HydrophobicContact CG-CD2 4.33Å; F862-L1237 HydrophobicContact CE2-CD2 4.36Å |
| 863 | V | 89.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 178.3 | 165.6 | 0 | 0 | 0 | 0 | 112 | W850 Q859 L860 S861 L867 L902 I906 I909 | W850-V863 HydrophobicContact CE3-CG2 4.09Å; W850-V863 HydrophobicContact CH2-CG2 4.3Å; W850-V863 HydrophobicContact CZ3-CG2 3.53Å; Q859-V863 WeakPolarHBondContact O-CB 3.46Å; Q859-V863 VanDerWaalsContact O-CG2 3.27Å; Q859-V863 WeakPolarHBondContact O-CG2 3.38Å; Q859-V863 PolarHBondContact O-N 3.32Å; L860-V863 PolarHBondContact O-N 2.69Å; S861-V863 PolarHBondContact O-N 3.48Å; V863-L867 VanDerWaalsContact O-CB 3.25Å; V863-L867 WeakPolarHBondContact O-CB 3.23Å; V863-L867 PolarHBondContact O-N 3.41Å; V863-L902 HydrophobicContact CG2-CD1 3.69Å; V863-I906 HydrophobicContact CG1-CG1 3.84Å; V863-I906 HydrophobicContact CG2-CG1 4.5Å; V863-I909 HydrophobicContact CG1-CD1 3.62Å |
| 864 | T | 85 | Confident | 79.5 | Confident | 22 Ų | 22 | 36 Ų | 36 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.4 | -47.8 | 179.2 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | L860 S861 F862 L866 L867 L868 | L860-T864 WeakPolarHBondContact O-CB 3.34Å; L860-T864 PolarHBondContact O-N 2.66Å; L860-T864 PolarHBondContact O-OG1 2.85Å; S861-T864 PolarHBondContact O-N 3.17Å; S861-T864 VanDerWaalsContact O-N 3.16Å; F862-T864 VanDerWaalsContact C-N 3.3Å; F862-T864 PolarHBondContact O-N 3.31Å; T864-L866 PolarHBondContact O-N 2.96Å; T864-L867 PolarHBondContact O-N 2.46Å; T864-L868 HydrophobicContact CG2-CD1 3.94Å; T864-L868 HydrophobicContact CG2-CG 4.43Å; T864-L868 WeakPolarHBondContact O-CB 3.37Å; T864-L868 WeakPolarHBondContact O-CG 3.37Å; T864-L868 PolarHBondContact O-N 2.75Å |
| 865 | S | 86.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | S861 F862 T869 E1229 | S861-S865 PolarHBondContact O-N 3Å; S861-S865 PolarHBondContact O-OG 3.16Å; F862-S865 PolarHBondContact O-N 3.18Å; S865-T869 VanDerWaalsContact O-CB 3.24Å; S865-T869 WeakPolarHBondContact O-CB 3.39Å; S865-T869 PolarHBondContact O-N 3.36Å; S865-T869 PolarHBondContact O-OG1 2.94Å; S865-E1229 VanDerWaalsContact CA-OE2 3.26Å; S865-E1229 WeakPolarHBondContact CA-OE2 3.23Å; S865-E1229 VanDerWaalsContact CB-OE2 3.24Å; S865-E1229 WeakPolarHBondContact CB-OE2 3.23Å; S865-E1229 PolarHBondContact OG-OE2 3.37Å |
| 866 | L | 92.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.1 | 177.3 | 59.9 | 0 | 0 | 0 | 112 | F842 F862 T864 T870 L879 L902 I906 L1233 | F842-L866 HydrophobicContact CE1-CD1 3.72Å; F842-L866 HydrophobicContact CZ-CD1 3.46Å; F842-L866 VanDerWaalsContact CZ-CD1 3.46Å; F862-L866 HydrophobicContact CE1-CD2 3.97Å; F862-L866 HydrophobicContact CZ-CD2 4Å; F862-L866 WeakPolarHBondContact O-CB 3.05Å; F862-L866 PolarHBondContact O-N 3.1Å; T864-L866 PolarHBondContact O-N 2.96Å; L866-T870 HydrophobicContact CD1-CG2 4.42Å; L866-T870 PolarHBondContact O-N 3.41Å; L866-T870 PolarHBondContact O-OG1 3.47Å; L866-L879 HydrophobicContact CD1-CD2 3.83Å; L866-L879 HydrophobicContact CD2-CD2 4.17Å; L866-L879 HydrophobicContact CG-CD2 3.79Å; L866-L902 HydrophobicContact CD2-CD1 4.33Å; L866-L902 HydrophobicContact CD2-CD2 4.22Å; L866-I906 HydrophobicContact CD2-CD1 4.04Å; L866-L1233 HydrophobicContact CB-CD1 4.28Å; L866-L1233 HydrophobicContact CD1-CD1 4.23Å |
| 867 | L | 91 | Very high | 84.8 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68 | -45.2 | 178 | 178.7 | 57.8 | 0 | 0 | 0 | 111.8 | V863 T864 T869 T870 I871 H876 I906 I909 Y910 | V863-L867 VanDerWaalsContact O-CB 3.25Å; V863-L867 WeakPolarHBondContact O-CB 3.23Å; V863-L867 PolarHBondContact O-N 3.41Å; T864-L867 PolarHBondContact O-N 2.46Å; L867-T869 PolarHBondContact O-N 2.38Å; L867-T870 PolarHBondContact O-N 3.46Å; L867-T870 PolarHBondContact O-OG1 3.14Å; L867-I871 HydrophobicContact CD1-CD1 3.8Å; L867-I871 HydrophobicContact CD1-CG1 3.99Å; L867-I871 HydrophobicContact CG-CD1 3.81Å; L867-I871 HydrophobicContact CG-CG1 4.43Å; L867-I871 WeakPolarHBondContact O-CB 3.23Å; L867-I871 VanDerWaalsContact O-CG1 3.24Å; L867-I871 WeakPolarHBondContact O-CG1 3.37Å; L867-I871 PolarHBondContact O-N 2.91Å; L867-H876 HydrophobicContact CD1-CB 4.1Å; L867-I906 HydrophobicContact CB-CG2 4.43Å; L867-I906 HydrophobicContact CD1-CG2 3.89Å; L867-I906 HydrophobicContact CD2-CG2 4.31Å; L867-I906 HydrophobicContact CG-CG2 4.43Å; L867-I909 HydrophobicContact CD2-CG2 3.81Å; L867-Y910 HydrophobicContact CD1-CD2 4.18Å; L867-Y910 HydrophobicContact CD2-CD2 4.41Å |
| 868 | L | 85.5 | Confident | 86.4 | Confident | 13 Ų | 13 | 19.9 Ų | 19.9 | 7% | 0.068 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 177.8 | -72.3 | 173.5 | 0 | 0 | 0 | 112.1 | T864 E872 I1105 L1106 E1229 | T864-L868 HydrophobicContact CG2-CD1 3.94Å; T864-L868 HydrophobicContact CG2-CG 4.43Å; T864-L868 WeakPolarHBondContact O-CB 3.37Å; T864-L868 WeakPolarHBondContact O-CG 3.37Å; T864-L868 PolarHBondContact O-N 2.75Å; L868-E872 PolarHBondContact O-N 2.69Å; L868-I1105 HydrophobicContact CD1-CG2 4.34Å; L868-L1106 HydrophobicContact CD2-CD2 4.21Å; L868-E1229 HydrophobicContact CB-CG 4.36Å; L868-E1229 HydrophobicContact CD1-CG 3.97Å |
| 869 | T | 88.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | I834 S865 L867 E872 L873 L1230 L1233 | I834-T869 HydrophobicContact CD1-CG2 3.98Å; S865-T869 VanDerWaalsContact O-CB 3.24Å; S865-T869 WeakPolarHBondContact O-CB 3.39Å; S865-T869 PolarHBondContact O-N 3.36Å; S865-T869 PolarHBondContact O-OG1 2.94Å; L867-T869 PolarHBondContact O-N 2.38Å; T869-E872 PolarHBondContact O-N 2.72Å; T869-L873 HydrophobicContact CG2-CD1 3.99Å; T869-L873 WeakPolarHBondContact O-CG 3.43Å; T869-L873 PolarHBondContact O-N 3.02Å; T869-L873 VanDerWaalsContact O-N 3.11Å; T869-L1230 HydrophobicContact CG2-CD2 3.59Å; T869-L1233 HydrophobicContact CG2-CD2 3.98Å |
| 870 | T | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -79 | -21.5 | -177.9 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | M838 F842 L866 L867 N874 C875 H876 L879 | M838-T870 HydrophobicContact CE-CG2 4.29Å; F842-T870 HydrophobicContact CE1-CG2 4.4Å; L866-T870 HydrophobicContact CD1-CG2 4.42Å; L866-T870 PolarHBondContact O-N 3.41Å; L866-T870 PolarHBondContact O-OG1 3.47Å; L867-T870 PolarHBondContact O-N 3.46Å; L867-T870 PolarHBondContact O-OG1 3.14Å; T870-N874 PolarHBondContact O-N 3.47Å; T870-C875 PolarHBondContact O-N 3.02Å; T870-C875 PolarHBondContact O-SG 3.11Å; T870-H876 PolarHBondContact O-N 3.44Å; T870-L879 HydrophobicContact CG2-CD2 3.8Å |
| 871 | I | 89.2 | Confident | 88.9 | Confident | 8 Ų | 8 | 12.9 Ų | 12.9 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.6 | -47.1 | 166.6 | -72.6 | 165.3 | 0 | 0 | 0 | 109.6 | L867 L873 N874 H876 Y910 D1217 A1218 A1221 | L867-I871 HydrophobicContact CD1-CD1 3.8Å; L867-I871 HydrophobicContact CD1-CG1 3.99Å; L867-I871 HydrophobicContact CG-CD1 3.81Å; L867-I871 HydrophobicContact CG-CG1 4.43Å; L867-I871 WeakPolarHBondContact O-CB 3.23Å; L867-I871 VanDerWaalsContact O-CG1 3.24Å; L867-I871 WeakPolarHBondContact O-CG1 3.37Å; L867-I871 PolarHBondContact O-N 2.91Å; I871-L873 PolarHBondContact O-N 2.69Å; I871-N874 PolarHBondContact O-N 3.16Å; I871-N874 VanDerWaalsContact O-N 3.09Å; I871-H876 HydrophobicContact CG1-CB 3.78Å; I871-Y910 HydrophobicContact CD1-CD2 4.41Å; I871-Y910 HydrophobicContact CD1-CE2 4.27Å; I871-D1217 HydrophobicContact CG2-CB 4.02Å; I871-D1217 VanDerWaalsContact CG2-O 3.31Å; I871-D1217 WeakPolarHBondContact CG2-O 3.26Å; I871-A1218 WeakPolarHBondContact O-CB 3.46Å; I871-A1221 HydrophobicContact CB-CB 4.4Å; I871-A1221 HydrophobicContact CG2-CB 3.83Å |
| 872 | E | 84.9 | Confident | 89.5 | Confident | 22 Ų | 22 | 11.6 Ų | 11.6 | 10% | 0.103 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | -179.6 | -168 | -94.9 | 164.4 | 0 | 0 | 112.7 | R831 L868 T869 N874 A1221 S1222 L1226 | R831-E872 IonicContact CZ-OE1 3.25Å; R831-E872 IonicContact CZ-OE2 3.63Å; R831-E872 IonicContact NE-OE1 2.84Å; R831-E872 IonicContact NE-OE2 2.73Å; R831-E872 PolarHBondContact NE-OE2 2.82Å; R831-E872 IonicContact NH2-OE1 3.24Å; R831-E872 PolarHBondContact NH2-OE1 2.89Å; R831-E872 IonicContact NH2-OE2 2.74Å; R831-E872 PolarHBondContact NH2-OE2 3.34Å; L868-E872 PolarHBondContact O-N 2.69Å; T869-E872 PolarHBondContact O-N 2.72Å; E872-N874 PolarHBondContact O-N 3.49Å; E872-N874 PolarHBondContact O-ND2 2.94Å; E872-N874 VanDerWaalsContact O-ND2 3.17Å; E872-A1221 HydrophobicContact CB-CB 4.11Å; E872-S1222 WeakPolarHBondContact CG-OG 3.34Å; E872-L1226 HydrophobicContact CB-CD1 4.2Å; E872-L1226 HydrophobicContact CB-CD2 4.24Å; E872-L1226 VanDerWaalsContact CD-CD2 3.49Å; E872-L1226 HydrophobicContact CG-CD1 4.44Å; E872-L1226 HydrophobicContact CG-CD2 3.59Å |
| 873 | L | 86.6 | Confident | 89.6 | Confident | 9 Ų | 9 | 11.8 Ų | 11.8 | 5% | 0.047 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 3.3 | 174.6 | -64.6 | 175.4 | 0 | 0 | 0 | 114.4 | R831 I834 T869 I871 C875 | R831-L873 HydrophobicContact CB-CD2 3.81Å; R831-L873 HydrophobicContact CG-CD2 4.07Å; I834-L873 HydrophobicContact CB-CD1 3.92Å; I834-L873 HydrophobicContact CD1-CD1 4.3Å; I834-L873 HydrophobicContact CG2-CD1 3.69Å; T869-L873 HydrophobicContact CG2-CD1 3.99Å; T869-L873 WeakPolarHBondContact O-CG 3.43Å; T869-L873 PolarHBondContact O-N 3.02Å; T869-L873 VanDerWaalsContact O-N 3.11Å; I871-L873 PolarHBondContact O-N 2.69Å; L873-C875 VanDerWaalsContact C-N 3.34Å; L873-C875 WeakPolarHBondContact CB-SG 3.25Å; L873-C875 PolarHBondContact O-N 3.23Å |
| 874 | N | 88.5 | Confident | 89.6 | Confident | 56 Ų | 56 | 11.7 Ų | 11.7 | 30% | 0.299 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 42.2 | -179.4 | -71.7 | -88.2 | 0 | 0 | 0 | 113.5 | T870 I871 E872 Y1214 A1218 | T870-N874 PolarHBondContact O-N 3.47Å; I871-N874 PolarHBondContact O-N 3.16Å; I871-N874 VanDerWaalsContact O-N 3.09Å; E872-N874 PolarHBondContact O-N 3.49Å; E872-N874 PolarHBondContact O-ND2 2.94Å; E872-N874 VanDerWaalsContact O-ND2 3.17Å; N874-Y1214 HydrophobicContact CB-CD1 3.96Å; N874-Y1214 WeakPolarHBondContact O-CE1 3.49Å; N874-Y1214 VanDerWaalsContact OD1-C 3.29Å; N874-Y1214 PolarHBondContact OD1-O 3.2Å; N874-A1218 VanDerWaalsContact ND2-CB 3.25Å; N874-A1218 WeakPolarHBondContact ND2-CB 3.21Å |
| 875 | C | 89.8 | Confident | 89.7 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 3% | 0.034 | 7% | 0.069 | C | C | . | . | trans | -140.9 | 7.6 | -174.6 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | M838 T870 L873 L877 E878 L879 | M838-C875 HydrophobicContact CE-CB 3.64Å; M838-C875 WeakPolarHBondContact CE-SG 3.23Å; M838-C875 HydrophobicContact SD-CB 4.08Å; T870-C875 PolarHBondContact O-N 3.02Å; T870-C875 PolarHBondContact O-SG 3.11Å; L873-C875 VanDerWaalsContact C-N 3.34Å; L873-C875 WeakPolarHBondContact CB-SG 3.25Å; L873-C875 PolarHBondContact O-N 3.23Å; C875-L877 PolarHBondContact O-N 3.41Å; C875-E878 PolarHBondContact O-N 2.81Å; C875-L879 PolarHBondContact O-N 2.88Å | ||
| 876 | H | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | -179.2 | 57.2 | -54.7 | 0 | 0 | 0 | 114.2 | L867 T870 I871 L879 I880 Y910 Y1214 | L867-H876 HydrophobicContact CD1-CB 4.1Å; T870-H876 PolarHBondContact O-N 3.44Å; I871-H876 HydrophobicContact CG1-CB 3.78Å; H876-L879 PolarHBondContact O-N 2.94Å; H876-I880 WeakPolarHBondContact O-CD1 3.46Å; H876-I880 WeakPolarHBondContact O-CG1 3.43Å; H876-I880 PolarHBondContact O-N 3.29Å; H876-Y910 AromaticContact CD2-CE2 3.66Å; H876-Y910 AromaticContact CD2-CZ 3.51Å; H876-Y910 AromaticContact NE2-CE2 3.98Å; H876-Y910 AromaticContact NE2-CZ 3.57Å; H876-Y910 PolarHBondContact NE2-OH 3.33Å; H876-Y910 VanDerWaalsContact NE2-OH 3.13Å; H876-Y1214 AromaticContact CE1-CD1 3.82Å; H876-Y1214 AromaticContact CE1-CE1 3.86Å |
| 877 | L | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.9 | -33.8 | 178.4 | -44.1 | -172 | 0 | 0 | 0 | 111.8 | C875 I880 V881 Y910 Q1049 W1052 I1053 L1210 Y1214 | C875-L877 PolarHBondContact O-N 3.41Å; L877-I880 PolarHBondContact O-N 2.97Å; L877-V881 WeakPolarHBondContact O-CB 3.48Å; L877-V881 WeakPolarHBondContact O-CG2 3.3Å; L877-V881 PolarHBondContact O-N 3.45Å; L877-Y910 HydrophobicContact CD2-CD1 4.13Å; L877-Y910 HydrophobicContact CD2-CE1 3.34Å; L877-Q1049 HydrophobicContact CD1-CB 3.91Å; L877-Q1049 HydrophobicContact CD1-CG 4.44Å; L877-Q1049 HydrophobicContact CD2-CB 4.12Å; L877-W1052 HydrophobicContact CB-CE3 3.75Å; L877-W1052 HydrophobicContact CB-CZ3 3.52Å; L877-W1052 HydrophobicContact CD1-CE3 3.96Å; L877-I1053 HydrophobicContact CB-CG1 4.31Å; L877-I1053 HydrophobicContact CD2-CD1 3.93Å; L877-L1210 HydrophobicContact CD1-CD1 4.11Å; L877-Y1214 WeakPolarHBondContact CB-OH 3.37Å; L877-Y1214 HydrophobicContact CD1-CD2 4.44Å; L877-Y1214 HydrophobicContact CD1-CE2 3.41Å; L877-Y1214 VanDerWaalsContact CD1-CE2 3.41Å; L877-Y1214 HydrophobicContact CG-CE2 3.88Å; L877-Y1214 WeakPolarHBondContact CG-OH 3.13Å |
| 878 | E | 90.1 | Very high | 88.5 | Confident | 74 Ų | 74 | 23 Ų | 23 | 35% | 0.346 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 173.7 | -178.6 | 176.4 | -175.1 | 0 | 0 | 110.4 | M838 N839 C875 I880 V881 N882 | M838-E878 HydrophobicContact SD-CB 4.25Å; M838-E878 HydrophobicContact SD-CG 4.03Å; N839-E878 PolarHBondContact ND2-OE1 2.99Å; C875-E878 PolarHBondContact O-N 2.81Å; E878-I880 VanDerWaalsContact C-N 3.33Å; E878-I880 PolarHBondContact O-N 2.76Å; E878-V881 PolarHBondContact O-N 2.8Å; E878-N882 WeakPolarHBondContact CG-ND2 3.15Å; E878-N882 VanDerWaalsContact O-CB 3.32Å; E878-N882 WeakPolarHBondContact O-CB 3.27Å; E878-N882 PolarHBondContact O-N 3.46Å |
| 879 | L | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.5 | -48.1 | 172.6 | 175.3 | 65.5 | 0 | 0 | 0 | 111.4 | M838 F842 I843 L866 T870 C875 H876 L883 I906 | M838-L879 HydrophobicContact SD-CB 4.42Å; F842-L879 HydrophobicContact CE1-CD1 4.4Å; I843-L879 HydrophobicContact CD1-CD1 4.12Å; I843-L879 HydrophobicContact CG1-CD1 3.68Å; L866-L879 HydrophobicContact CD1-CD2 3.83Å; L866-L879 HydrophobicContact CD2-CD2 4.17Å; L866-L879 HydrophobicContact CG-CD2 3.79Å; T870-L879 HydrophobicContact CG2-CD2 3.8Å; C875-L879 PolarHBondContact O-N 2.88Å; H876-L879 PolarHBondContact O-N 2.94Å; L879-L883 HydrophobicContact CD1-CD1 3.66Å; L879-L883 HydrophobicContact CD1-CG 3.95Å; L879-L883 HydrophobicContact CG-CD1 3.82Å; L879-L883 HydrophobicContact CG-CG 4.47Å; L879-L883 VanDerWaalsContact O-CB 3.29Å; L879-L883 WeakPolarHBondContact O-CB 3.48Å; L879-L883 WeakPolarHBondContact O-CG 3.38Å; L879-L883 PolarHBondContact O-N 2.83Å; L879-I906 HydrophobicContact CD2-CD1 4.4Å |
| 880 | I | 92.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -49.9 | 179.6 | -70.1 | 162.9 | 0 | 0 | 0 | 110.9 | H876 L877 E878 L884 I906 L907 Y910 I1053 | H876-I880 WeakPolarHBondContact O-CD1 3.46Å; H876-I880 WeakPolarHBondContact O-CG1 3.43Å; H876-I880 PolarHBondContact O-N 3.29Å; L877-I880 PolarHBondContact O-N 2.97Å; E878-I880 VanDerWaalsContact C-N 3.33Å; E878-I880 PolarHBondContact O-N 2.76Å; I880-L884 HydrophobicContact CG2-CD1 3.56Å; I880-L884 HydrophobicContact CG2-CG 4.45Å; I880-L884 VanDerWaalsContact O-CB 3.31Å; I880-L884 WeakPolarHBondContact O-CB 3.44Å; I880-L884 WeakPolarHBondContact O-CD1 3.47Å; I880-L884 WeakPolarHBondContact O-CG 3.44Å; I880-L884 PolarHBondContact O-N 3.33Å; I880-I906 HydrophobicContact CD1-CG2 3.81Å; I880-I906 HydrophobicContact CG1-CB 4.29Å; I880-I906 HydrophobicContact CG1-CG2 3.53Å; I880-L907 HydrophobicContact CG2-CB 4.35Å; I880-L907 HydrophobicContact CG2-CD1 4.27Å; I880-Y910 HydrophobicContact CD1-CD1 3.96Å; I880-Y910 HydrophobicContact CD1-CG 4.19Å; I880-I1053 HydrophobicContact CB-CD1 4.37Å; I880-I1053 HydrophobicContact CD1-CD1 4.28Å; I880-I1053 HydrophobicContact CG2-CD1 3.83Å; I880-I1053 HydrophobicContact CG2-CG1 4.33Å; I880-I1053 HydrophobicContact CG2-CG2 4.16Å |
| 881 | V | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | -180 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | L877 E878 L884 R885 W1052 I1053 E1056 | L877-V881 WeakPolarHBondContact O-CB 3.48Å; L877-V881 WeakPolarHBondContact O-CG2 3.3Å; L877-V881 PolarHBondContact O-N 3.45Å; E878-V881 PolarHBondContact O-N 2.8Å; V881-L884 PolarHBondContact O-N 2.84Å; V881-R885 HydrophobicContact CG1-CG 4.4Å; V881-R885 WeakPolarHBondContact O-CB 3.21Å; V881-R885 VanDerWaalsContact O-CG 3.28Å; V881-R885 WeakPolarHBondContact O-CG 3.49Å; V881-R885 PolarHBondContact O-N 2.85Å; V881-W1052 HydrophobicContact CB-CZ3 4.37Å; V881-W1052 HydrophobicContact CG2-CE3 4.18Å; V881-W1052 HydrophobicContact CG2-CH2 4.23Å; V881-W1052 HydrophobicContact CG2-CZ3 3.57Å; V881-I1053 HydrophobicContact CG2-CB 4.18Å; V881-I1053 HydrophobicContact CG2-CG1 3.99Å; V881-I1053 HydrophobicContact CG2-CG2 4.05Å; V881-E1056 HydrophobicContact CG1-CB 3.92Å; V881-E1056 HydrophobicContact CG2-CB 4.01Å |
| 882 | N | 91.5 | Very high | 86 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -76.2 | -28.2 | -176.1 | -68.6 | -18 | 0 | 0 | 0 | 112.8 | N839 I843 E878 R885 I886 | N839-N882 PolarHBondContact OD1-ND2 3.38Å; I843-N882 HydrophobicContact CD1-CB 3.59Å; E878-N882 WeakPolarHBondContact CG-ND2 3.15Å; E878-N882 VanDerWaalsContact O-CB 3.32Å; E878-N882 WeakPolarHBondContact O-CB 3.27Å; E878-N882 PolarHBondContact O-N 3.46Å; N882-R885 WeakPolarHBondContact OD1-CD 3.16Å; N882-R885 PolarHBondContact OD1-NH1 3.49Å; N882-I886 WeakPolarHBondContact O-CD1 3.31Å; N882-I886 WeakPolarHBondContact O-CG1 3.48Å |
| 883 | L | 91.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -48.4 | 165.4 | -74.6 | 170 | 0 | 0 | 0 | 111.7 | I843 I847 L879 R885 I886 L902 I906 | I843-L883 HydrophobicContact CG2-CD2 3.96Å; I847-L883 HydrophobicContact CD1-CD2 3.88Å; I847-L883 HydrophobicContact CG1-CD2 3.64Å; L879-L883 HydrophobicContact CD1-CD1 3.66Å; L879-L883 HydrophobicContact CD1-CG 3.95Å; L879-L883 HydrophobicContact CG-CD1 3.82Å; L879-L883 HydrophobicContact CG-CG 4.47Å; L879-L883 VanDerWaalsContact O-CB 3.29Å; L879-L883 WeakPolarHBondContact O-CB 3.48Å; L879-L883 WeakPolarHBondContact O-CG 3.38Å; L879-L883 PolarHBondContact O-N 2.83Å; L883-R885 VanDerWaalsContact C-N 3.29Å; L883-R885 PolarHBondContact O-N 3.21Å; L883-I886 WeakPolarHBondContact O-CB 3.47Å; L883-I886 PolarHBondContact O-N 3.1Å; L883-I886 VanDerWaalsContact O-N 3.1Å; L883-L902 HydrophobicContact CD1-CD2 3.98Å; L883-L902 HydrophobicContact CD1-CG 3.93Å; L883-L902 HydrophobicContact CD2-CD2 3.93Å; L883-L902 HydrophobicContact CD2-CG 4.41Å; L883-I906 HydrophobicContact CD1-CD1 3.53Å |
| 884 | L | 89.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -31.1 | -179.9 | -70.6 | 168.8 | 0 | 0 | 0 | 112.2 | I880 V881 I886 E887 F897 A904 L907 I1053 L1057 | I880-L884 HydrophobicContact CG2-CD1 3.56Å; I880-L884 HydrophobicContact CG2-CG 4.45Å; I880-L884 VanDerWaalsContact O-CB 3.31Å; I880-L884 WeakPolarHBondContact O-CB 3.44Å; I880-L884 WeakPolarHBondContact O-CD1 3.47Å; I880-L884 WeakPolarHBondContact O-CG 3.44Å; I880-L884 PolarHBondContact O-N 3.33Å; V881-L884 PolarHBondContact O-N 2.84Å; L884-I886 PolarHBondContact O-N 3.1Å; L884-E887 WeakPolarHBondContact O-CB 3.11Å; L884-E887 PolarHBondContact O-N 3.15Å; L884-F897 HydrophobicContact CB-CE1 3.86Å; L884-F897 HydrophobicContact CD2-CD1 3.69Å; L884-F897 HydrophobicContact CD2-CE1 3.81Å; L884-F897 HydrophobicContact CG-CE1 4.41Å; L884-F897 WeakPolarHBondContact O-CE1 3.5Å; L884-A904 HydrophobicContact CD2-CB 4.39Å; L884-L907 HydrophobicContact CD1-CB 4.34Å; L884-L907 HydrophobicContact CD1-CD2 3.89Å; L884-I1053 HydrophobicContact CD1-CG2 4.28Å; L884-L1057 HydrophobicContact CB-CD1 3.95Å; L884-L1057 HydrophobicContact CB-CD2 3.87Å; L884-L1057 HydrophobicContact CD1-CD1 3.72Å; L884-L1057 HydrophobicContact CG-CD1 4.45Å |
| 885 | R | 87.7 | Confident | 84.5 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.8 | -31.7 | 171 | -86.5 | 167.2 | 174.7 | 159 | 3.5 | 113.2 | V881 N882 L883 E887 V888 E1056 L1057 L1060 | V881-R885 HydrophobicContact CG1-CG 4.4Å; V881-R885 WeakPolarHBondContact O-CB 3.21Å; V881-R885 VanDerWaalsContact O-CG 3.28Å; V881-R885 WeakPolarHBondContact O-CG 3.49Å; V881-R885 PolarHBondContact O-N 2.85Å; N882-R885 WeakPolarHBondContact OD1-CD 3.16Å; N882-R885 PolarHBondContact OD1-NH1 3.49Å; L883-R885 VanDerWaalsContact C-N 3.29Å; L883-R885 PolarHBondContact O-N 3.21Å; R885-E887 VanDerWaalsContact C-N 3.29Å; R885-V888 WeakPolarHBondContact O-CB 3.43Å; R885-V888 WeakPolarHBondContact O-CG2 3.44Å; R885-E1056 IonicContact CZ-OE2 3.53Å; R885-E1056 IonicContact NH1-OE2 3.48Å; R885-E1056 PolarHBondContact NH2-O 3.42Å; R885-E1056 IonicContact NH2-OE2 2.69Å; R885-E1056 PolarHBondContact NH2-OE2 3.04Å; R885-L1057 HydrophobicContact CG-CD2 4.29Å; R885-L1060 HydrophobicContact CG-CD1 3.58Å |
| 886 | I | 84.6 | Confident | 84.1 | Confident | 110 Ų | 110 | 46 Ų | 46 | 56% | 0.564 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -78.7 | -16.4 | 178.4 | -62.4 | 162.7 | 0 | 0 | 0 | 111.5 | I843 I847 N882 L883 L884 | I843-I886 HydrophobicContact CG2-CD1 3.71Å; I847-I886 HydrophobicContact CD1-CD1 3.55Å; I847-I886 HydrophobicContact CD1-CG2 4.34Å; N882-I886 WeakPolarHBondContact O-CD1 3.31Å; N882-I886 WeakPolarHBondContact O-CG1 3.48Å; L883-I886 WeakPolarHBondContact O-CB 3.47Å; L883-I886 PolarHBondContact O-N 3.1Å; L883-I886 VanDerWaalsContact O-N 3.1Å; L884-I886 PolarHBondContact O-N 3.1Å |
| 887 | E | 80.5 | Confident | 83.7 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -1.1 | 176.7 | -53.2 | -179.9 | -154.3 | 0 | 0 | 113.3 | L884 R885 N889 F897 S901 G903 A904 | L884-E887 WeakPolarHBondContact O-CB 3.11Å; L884-E887 PolarHBondContact O-N 3.15Å; R885-E887 VanDerWaalsContact C-N 3.29Å; E887-N889 PolarHBondContact O-N 3.17Å; E887-F897 HydrophobicContact CB-CD1 4.3Å; E887-F897 HydrophobicContact CB-CE1 4Å; E887-S901 WeakPolarHBondContact OE1-CB 3.29Å; E887-S901 PolarHBondContact OE1-OG 3.18Å; E887-S901 WeakPolarHBondContact OE2-CB 3.47Å; E887-S901 PolarHBondContact OE2-OG 3.43Å; E887-G903 PolarHBondContact OE1-N 2.96Å; E887-A904 PolarHBondContact OE1-N 3.34Å |
| 888 | V | 79.4 | Confident | 83.2 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | trans | -69.7 | 107.1 | -178.9 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | R885 N890 F897 L1060 Y1061 | R885-V888 WeakPolarHBondContact O-CB 3.43Å; R885-V888 WeakPolarHBondContact O-CG2 3.44Å; V888-N890 WeakPolarHBondContact CG1-OD1 3.39Å; V888-F897 HydrophobicContact CG2-CZ 4.11Å; V888-L1060 HydrophobicContact CG2-CD1 4.11Å; V888-Y1061 HydrophobicContact CG1-CE1 3.99Å; V888-Y1061 HydrophobicContact CG1-CE2 4.32Å; V888-Y1061 HydrophobicContact CG2-CE2 4.19Å | ||
| 889 | N | 76.7 | Confident | 82.8 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | trans | -95.2 | 102.4 | 172.3 | -169.1 | -45.9 | 0 | 0 | 0 | 110.3 | E887 D891 K892 P893 S896 | E887-N889 PolarHBondContact O-N 3.17Å; N889-D891 PolarHBondContact OD1-N 3.37Å; N889-K892 CarbonylContact O-C 3.27Å; N889-K892 VanDerWaalsContact O-C 3.27Å; N889-K892 PolarHBondContact OD1-N 2.75Å; N889-P893 VanDerWaalsContact O-CA 3.31Å; N889-P893 WeakPolarHBondContact O-CA 3.26Å; N889-P893 VanDerWaalsContact O-N 3.13Å; N889-S896 PolarHBondContact N-OG 2.72Å | ||
| 890 | N | 73.3 | Confident | 82.4 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -68.9 | -33.9 | -179.2 | -71.9 | -28.4 | 0 | 0 | 0 | 113.3 | V888 | V888-N890 WeakPolarHBondContact CG1-OD1 3.39Š|
| 891 | D | 73.6 | Confident | 82.1 | Confident | 153 Ų | 153 | 57.1 Ų | 57.1 | 82% | 0.818 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -73.9 | -30.4 | -179.9 | -54.3 | -42 | 0 | 0 | 0 | 112.3 | N889 | N889-D891 PolarHBondContact OD1-N 3.37Š|
| 892 | K | 78.3 | Confident | 82 | Confident | 139 Ų | 139 | 57.4 Ų | 57.4 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | trans | -139.6 | 70.8 | -176.7 | -65.8 | -177.3 | -177.3 | 171.2 | 0 | 110.6 | N889 S894 A895 | N889-K892 CarbonylContact O-C 3.27Å; N889-K892 VanDerWaalsContact O-C 3.27Å; N889-K892 PolarHBondContact OD1-N 2.75Å; K892-S894 PolarHBondContact O-N 2.84Å; K892-A895 HydrophobicContact CB-CB 4.29Å; K892-A895 WeakPolarHBondContact O-CB 3.33Å; K892-A895 PolarHBondContact O-N 2.87Å | ||
| 893 | P | 74.8 | Confident | 82 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -58.5 | -25.8 | -179.6 | 20.2 | -32.2 | 0 | 0 | 0 | 113.3 | N889 A895 S896 Y1061 H1065 V1069 | N889-P893 VanDerWaalsContact O-CA 3.31Å; N889-P893 WeakPolarHBondContact O-CA 3.26Å; N889-P893 VanDerWaalsContact O-N 3.13Å; P893-A895 PolarHBondContact O-N 2.96Å; P893-S896 WeakPolarHBondContact O-CB 3.34Å; P893-S896 PolarHBondContact O-N 2.77Å; P893-Y1061 HydrophobicContact CB-CD1 4.26Å; P893-Y1061 HydrophobicContact CB-CE1 3.93Å; P893-H1065 HydrophobicContact CB-CB 4.07Å; P893-H1065 HydrophobicContact CG-CB 3.86Å; P893-V1069 HydrophobicContact CB-CG2 4.46Å |
| 894 | S | 73.9 | Confident | 81.9 | Confident | 54 Ų | 54 | 56 Ų | 56 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -65.2 | -19.6 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 115 | K892 R898 N1072 | K892-S894 PolarHBondContact O-N 2.84Å; S894-R898 WeakPolarHBondContact O-CD 3.45Å; S894-R898 PolarHBondContact O-NE 2.84Å; S894-R898 VanDerWaalsContact O-NE 3.13Å; S894-N1072 PolarHBondContact O-ND2 2.79Å |
| 895 | A | 78.3 | Confident | 81.9 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -89 | -18.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K892 P893 | K892-A895 HydrophobicContact CB-CB 4.29Å; K892-A895 WeakPolarHBondContact O-CB 3.33Å; K892-A895 PolarHBondContact O-N 2.87Å; P893-A895 PolarHBondContact O-N 2.96Å |
| 896 | S | 81.9 | Confident | 82.1 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 143.9 | -177.3 | -57 | 0 | 0 | 0 | 0 | 111.4 | N889 P893 R898 Y1061 N1072 | N889-S896 PolarHBondContact N-OG 2.72Å; P893-S896 WeakPolarHBondContact O-CB 3.34Å; P893-S896 PolarHBondContact O-N 2.77Å; S896-R898 PolarHBondContact O-N 2.83Å; S896-Y1061 WeakPolarHBondContact CB-OH 3.36Å; S896-Y1061 PolarHBondContact OG-OH 3.38Å; S896-N1072 PolarHBondContact O-ND2 2.84Å |
| 897 | F | 82.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 12.7 | 176.9 | -45.3 | -61.4 | 0 | 0 | 0 | 116.9 | L884 E887 V888 Y1061 V1069 N1072 L1073 R1077 | L884-F897 HydrophobicContact CB-CE1 3.86Å; L884-F897 HydrophobicContact CD2-CD1 3.69Å; L884-F897 HydrophobicContact CD2-CE1 3.81Å; L884-F897 HydrophobicContact CG-CE1 4.41Å; L884-F897 WeakPolarHBondContact O-CE1 3.5Å; E887-F897 HydrophobicContact CB-CD1 4.3Å; E887-F897 HydrophobicContact CB-CE1 4Å; V888-F897 HydrophobicContact CG2-CZ 4.11Å; F897-Y1061 HydrophobicContact CE2-CE2 4.38Å; F897-V1069 HydrophobicContact CD2-CG1 4.17Å; F897-V1069 HydrophobicContact CE2-CG1 3.76Å; F897-N1072 HydrophobicContact CB-CB 4.37Å; F897-L1073 HydrophobicContact CB-CD2 4.14Å; F897-L1073 HydrophobicContact CD1-CD2 4.16Å; F897-L1073 HydrophobicContact CD2-CD1 4.45Å; F897-L1073 HydrophobicContact CD2-CD2 4Å; F897-L1073 HydrophobicContact CD2-CG 4.04Å; F897-L1073 HydrophobicContact CG-CD2 3.79Å; F897-L1073 HydrophobicContact CG-CG 4.3Å; F897-R1077 PolarHBondContact O-NH1 3.31Å |
| 898 | R | 81.5 | Confident | 82.9 | Confident | 152 Ų | 152 | 49.4 Ų | 49.4 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | trans | -90.7 | -3.2 | 176.4 | -62.5 | -166.2 | 166 | -172.2 | -1.3 | 115 | S894 S896 N1072 L1076 | S894-R898 WeakPolarHBondContact O-CD 3.45Å; S894-R898 PolarHBondContact O-NE 2.84Å; S894-R898 VanDerWaalsContact O-NE 3.13Å; S896-R898 PolarHBondContact O-N 2.83Å; R898-N1072 PolarHBondContact NE-ND2 3.17Å; R898-N1072 PolarHBondContact NE-OD1 3.03Å; R898-N1072 VanDerWaalsContact NE-OD1 3.15Å; R898-N1072 PolarHBondContact NH2-OD1 2.88Å; R898-N1072 VanDerWaalsContact NH2-OD1 3.08Å; R898-L1076 HydrophobicContact CG-CD2 3.88Å | ||
| 899 | G | 81.4 | Confident | 83.2 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -92.4 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1077 | G899-R1077 PolarHBondContact O-NH1 3.05Š|
| 900 | S | 83.6 | Confident | 83.9 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 59% | 0.587 | 26% | 0.257 | S | S | * | . | trans | -105 | 51.8 | 169.4 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | W850 | W850-S900 WeakPolarHBondContact CZ2-O 3.46Å; W850-S900 PolarHBondContact NE1-O 3.39Å | ||
| 901 | S | 88.2 | Confident | 84.6 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | trans | -79.8 | 162.2 | 178.5 | 22.5 | 0 | 0 | 0 | 0 | 111.6 | E887 G903 A904 Q905 | E887-S901 WeakPolarHBondContact OE1-CB 3.29Å; E887-S901 PolarHBondContact OE1-OG 3.18Å; E887-S901 WeakPolarHBondContact OE2-CB 3.47Å; E887-S901 PolarHBondContact OE2-OG 3.43Å; S901-G903 PolarHBondContact O-N 3.27Å; S901-A904 WeakPolarHBondContact O-CB 3.39Å; S901-A904 PolarHBondContact O-N 3.49Å; S901-A904 WeakPolarHBondContact OG-CB 3.47Å; S901-Q905 VanDerWaalsContact O-CG 3.27Å; S901-Q905 WeakPolarHBondContact O-CG 3.29Å; S901-Q905 PolarHBondContact O-N 3.28Å | ||
| 902 | L | 90.2 | Very high | 85.2 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | -174 | -178 | 61.7 | 0 | 0 | 0 | 112.8 | C846 W850 F862 V863 L866 L883 A904 Q905 I906 | C846-L902 HydrophobicContact CB-CD2 3.87Å; W850-L902 HydrophobicContact CB-CB 4.1Å; W850-L902 HydrophobicContact CB-CD1 4.3Å; W850-L902 HydrophobicContact CB-CD2 4.2Å; W850-L902 HydrophobicContact CB-CG 4.43Å; W850-L902 HydrophobicContact CD2-CB 4.03Å; W850-L902 HydrophobicContact CD2-CD1 3.88Å; W850-L902 HydrophobicContact CE3-CD1 3.6Å; W850-L902 HydrophobicContact CG-CB 3.74Å; W850-L902 HydrophobicContact CG-CD1 4.18Å; W850-L902 HydrophobicContact CG-CG 4.4Å; W850-L902 HydrophobicContact CZ3-CD1 4.26Å; F862-L902 HydrophobicContact CD1-CD1 4.27Å; F862-L902 HydrophobicContact CE1-CD1 3.84Å; F862-L902 HydrophobicContact CE1-CD2 4.23Å; V863-L902 HydrophobicContact CG2-CD1 3.69Å; L866-L902 HydrophobicContact CD2-CD1 4.33Å; L866-L902 HydrophobicContact CD2-CD2 4.22Å; L883-L902 HydrophobicContact CD1-CD2 3.98Å; L883-L902 HydrophobicContact CD1-CG 3.93Å; L883-L902 HydrophobicContact CD2-CD2 3.93Å; L883-L902 HydrophobicContact CD2-CG 4.41Å; L902-A904 VanDerWaalsContact C-N 3.31Å; L902-A904 PolarHBondContact O-N 3.06Å; L902-Q905 PolarHBondContact O-N 3.3Å; L902-I906 HydrophobicContact CD1-CD1 3.99Å; L902-I906 HydrophobicContact CD1-CG1 4.37Å; L902-I906 HydrophobicContact CG-CD1 3.89Å; L902-I906 WeakPolarHBondContact O-CD1 3.44Å; L902-I906 VanDerWaalsContact O-CG1 3.29Å; L902-I906 WeakPolarHBondContact O-CG1 3.42Å; L902-I906 PolarHBondContact O-N 2.76Å |
| 903 | G | 90.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | E887 S901 I906 L907 | E887-G903 PolarHBondContact OE1-N 2.96Å; S901-G903 PolarHBondContact O-N 3.27Å; G903-I906 PolarHBondContact O-N 3.09Å; G903-L907 WeakPolarHBondContact O-CB 3.43Å; G903-L907 PolarHBondContact O-N 3.4Å |
| 904 | A | 89.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L884 E887 S901 L902 L907 D908 R1077 | L884-A904 HydrophobicContact CD2-CB 4.39Å; E887-A904 PolarHBondContact OE1-N 3.34Å; S901-A904 WeakPolarHBondContact O-CB 3.39Å; S901-A904 PolarHBondContact O-N 3.49Å; S901-A904 WeakPolarHBondContact OG-CB 3.47Å; L902-A904 VanDerWaalsContact C-N 3.31Å; L902-A904 PolarHBondContact O-N 3.06Å; A904-L907 PolarHBondContact O-N 2.79Å; A904-D908 PolarHBondContact O-N 2.9Å; A904-D908 VanDerWaalsContact O-N 3.12Å; A904-R1077 PolarHBondContact O-NH2 2.69Å |
| 905 | Q | 89.6 | Confident | 86.8 | Confident | 54 Ų | 54 | 28.8 Ų | 28.8 | 25% | 0.252 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.5 | -40.1 | 176.5 | -68.3 | -75.9 | 98.9 | 0 | 0 | 112.1 | W850 S901 L902 D908 I909 | W850-Q905 HydrophobicContact CH2-CB 4.37Å; W850-Q905 HydrophobicContact CH2-CG 3.87Å; W850-Q905 HydrophobicContact CZ2-CG 3.81Å; S901-Q905 VanDerWaalsContact O-CG 3.27Å; S901-Q905 WeakPolarHBondContact O-CG 3.29Å; S901-Q905 PolarHBondContact O-N 3.28Å; L902-Q905 PolarHBondContact O-N 3.3Å; Q905-D908 PolarHBondContact O-N 3.39Å; Q905-I909 WeakPolarHBondContact O-CG1 3.25Å; Q905-I909 PolarHBondContact O-N 3.26Å |
| 906 | I | 91.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.4 | -61.3 | 159.6 | 0 | 0 | 0 | 110.1 | V863 L866 L867 L879 I880 L883 L902 G903 D908 I909 Y910 | V863-I906 HydrophobicContact CG1-CG1 3.84Å; V863-I906 HydrophobicContact CG2-CG1 4.5Å; L866-I906 HydrophobicContact CD2-CD1 4.04Å; L867-I906 HydrophobicContact CB-CG2 4.43Å; L867-I906 HydrophobicContact CD1-CG2 3.89Å; L867-I906 HydrophobicContact CD2-CG2 4.31Å; L867-I906 HydrophobicContact CG-CG2 4.43Å; L879-I906 HydrophobicContact CD2-CD1 4.4Å; I880-I906 HydrophobicContact CD1-CG2 3.81Å; I880-I906 HydrophobicContact CG1-CB 4.29Å; I880-I906 HydrophobicContact CG1-CG2 3.53Å; L883-I906 HydrophobicContact CD1-CD1 3.53Å; L902-I906 HydrophobicContact CD1-CD1 3.99Å; L902-I906 HydrophobicContact CD1-CG1 4.37Å; L902-I906 HydrophobicContact CG-CD1 3.89Å; L902-I906 WeakPolarHBondContact O-CD1 3.44Å; L902-I906 VanDerWaalsContact O-CG1 3.29Å; L902-I906 WeakPolarHBondContact O-CG1 3.42Å; L902-I906 PolarHBondContact O-N 2.76Å; G903-I906 PolarHBondContact O-N 3.09Å; I906-D908 PolarHBondContact O-N 3Å; I906-I909 PolarHBondContact O-N 2.99Å; I906-Y910 WeakPolarHBondContact O-CB 3.24Å; I906-Y910 PolarHBondContact O-N 3.05Å |
| 907 | L | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 178.3 | 177.6 | 65 | 0 | 0 | 0 | 112.5 | I880 L884 G903 A904 S911 I1053 L1073 | I880-L907 HydrophobicContact CG2-CB 4.35Å; I880-L907 HydrophobicContact CG2-CD1 4.27Å; L884-L907 HydrophobicContact CD1-CB 4.34Å; L884-L907 HydrophobicContact CD1-CD2 3.89Å; G903-L907 WeakPolarHBondContact O-CB 3.43Å; G903-L907 PolarHBondContact O-N 3.4Å; A904-L907 PolarHBondContact O-N 2.79Å; L907-S911 WeakPolarHBondContact O-CB 3.14Å; L907-S911 PolarHBondContact O-N 3.37Å; L907-S911 PolarHBondContact O-OG 3.36Å; L907-I1053 HydrophobicContact CD1-CD1 4.34Å; L907-I1053 HydrophobicContact CD1-CG2 4.36Å; L907-L1073 HydrophobicContact CD2-CD2 3.89Å |
| 908 | D | 89.7 | Confident | 87.6 | Confident | 41 Ų | 41 | 32.3 Ų | 32.3 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 179.2 | -72 | 0 | 0 | 0 | 0 | 111.4 | A904 Q905 I906 S911 T912 R1077 | A904-D908 PolarHBondContact O-N 2.9Å; A904-D908 VanDerWaalsContact O-N 3.12Å; Q905-D908 PolarHBondContact O-N 3.39Å; I906-D908 PolarHBondContact O-N 3Å; D908-S911 PolarHBondContact O-OG 3Å; D908-T912 WeakPolarHBondContact O-CB 3.23Å; D908-T912 PolarHBondContact O-N 3.49Å; D908-T912 PolarHBondContact O-OG1 2.72Å; D908-R1077 IonicContact OD1-CZ 2.87Å; D908-R1077 IonicContact OD1-NE 2.81Å; D908-R1077 PolarHBondContact OD1-NE 3.03Å; D908-R1077 IonicContact OD1-NH2 2.73Å; D908-R1077 PolarHBondContact OD1-NH2 3.42Å; D908-R1077 IonicContact OD2-CZ 2.98Å; D908-R1077 IonicContact OD2-NE 3.65Å; D908-R1077 PolarHBondContact OD2-NE 3.03Å; D908-R1077 IonicContact OD2-NH2 3.51Å; D908-R1077 PolarHBondContact OD2-NH2 2.91Å |
| 909 | I | 86.2 | Confident | 88 | Confident | 21 Ų | 21 | 25.7 Ų | 25.7 | 11% | 0.108 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.4 | -48.6 | 179.5 | -71.6 | 173.9 | 0 | 0 | 0 | 111.1 | L860 V863 L867 Q905 I906 T913 I1102 L1106 | L860-I909 HydrophobicContact CD1-CD1 3.89Å; V863-I909 HydrophobicContact CG1-CD1 3.62Å; L867-I909 HydrophobicContact CD2-CG2 3.81Å; Q905-I909 WeakPolarHBondContact O-CG1 3.25Å; Q905-I909 PolarHBondContact O-N 3.26Å; I906-I909 PolarHBondContact O-N 2.99Å; I909-T913 PolarHBondContact O-N 2.97Å; I909-T913 PolarHBondContact O-OG1 3.38Å; I909-I1102 HydrophobicContact CD1-CD1 3.69Å; I909-I1102 HydrophobicContact CG1-CD1 3.63Å; I909-I1102 HydrophobicContact CG2-CD1 4.45Å; I909-I1102 HydrophobicContact CG2-CG2 4.01Å; I909-L1106 HydrophobicContact CG2-CD1 4.5Å |
| 910 | Y | 90.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -46.3 | -179.6 | -172.4 | -113 | 0 | 0 | 0 | 111.5 | L867 I871 H876 L877 I880 I906 T912 T913 V914 Q1049 I1050 D1217 | L867-Y910 HydrophobicContact CD1-CD2 4.18Å; L867-Y910 HydrophobicContact CD2-CD2 4.41Å; I871-Y910 HydrophobicContact CD1-CD2 4.41Å; I871-Y910 HydrophobicContact CD1-CE2 4.27Å; H876-Y910 AromaticContact CD2-CE2 3.66Å; H876-Y910 AromaticContact CD2-CZ 3.51Å; H876-Y910 AromaticContact NE2-CE2 3.98Å; H876-Y910 AromaticContact NE2-CZ 3.57Å; H876-Y910 PolarHBondContact NE2-OH 3.33Å; H876-Y910 VanDerWaalsContact NE2-OH 3.13Å; L877-Y910 HydrophobicContact CD2-CD1 4.13Å; L877-Y910 HydrophobicContact CD2-CE1 3.34Å; I880-Y910 HydrophobicContact CD1-CD1 3.96Å; I880-Y910 HydrophobicContact CD1-CG 4.19Å; I906-Y910 WeakPolarHBondContact O-CB 3.24Å; I906-Y910 PolarHBondContact O-N 3.05Å; Y910-T912 PolarHBondContact O-N 2.91Å; Y910-T913 WeakPolarHBondContact O-CB 3.49Å; Y910-T913 PolarHBondContact O-N 3.44Å; Y910-V914 HydrophobicContact CD1-CG2 4.32Å; Y910-V914 HydrophobicContact CD2-CG2 4.16Å; Y910-V914 HydrophobicContact CE1-CG2 3.87Å; Y910-V914 HydrophobicContact CE2-CG2 3.69Å; Y910-V914 HydrophobicContact CG-CG2 4.45Å; Y910-V914 WeakPolarHBondContact O-CG2 3.43Å; Y910-V914 PolarHBondContact O-N 3.16Å; Y910-Q1049 HydrophobicContact CE1-CB 3.98Å; Y910-Q1049 WeakPolarHBondContact OH-CG 3.35Å; Y910-I1050 HydrophobicContact CD1-CD1 3.6Å; Y910-I1050 HydrophobicContact CE1-CD1 3.82Å; Y910-D1217 PolarHBondContact OH-OD2 3.19Å |
| 911 | S | 89.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.1 | -31.7 | 178.3 | 73.8 | 0 | 0 | 0 | 0 | 113 | L907 D908 T913 C915 R919 | L907-S911 WeakPolarHBondContact O-CB 3.14Å; L907-S911 PolarHBondContact O-N 3.37Å; L907-S911 PolarHBondContact O-OG 3.36Å; D908-S911 PolarHBondContact O-OG 3Å; S911-T913 VanDerWaalsContact C-N 3.28Å; S911-T913 PolarHBondContact O-N 3.16Å; S911-C915 WeakPolarHBondContact O-CA 3.39Å; S911-C915 WeakPolarHBondContact O-CB 3.39Å; S911-C915 PolarHBondContact O-N 3.42Å; S911-R919 PolarHBondContact O-NH2 3.46Å; S911-R919 PolarHBondContact OG-NH2 3.43Å |
| 912 | T | 86.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 25.4 Ų | 25.4 | 32% | 0.319 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -69.3 | -29 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | D908 Y910 S916 R919 | D908-T912 WeakPolarHBondContact O-CB 3.23Å; D908-T912 PolarHBondContact O-N 3.49Å; D908-T912 PolarHBondContact O-OG1 2.72Å; Y910-T912 PolarHBondContact O-N 2.91Å; T912-S916 WeakPolarHBondContact O-CB 3.48Å; T912-R919 PolarHBondContact OG1-NH1 3.35Å |
| 913 | T | 83.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 25.6 Ų | 25.6 | 18% | 0.184 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.2 | -61.4 | 169 | -57 | 0 | 0 | 0 | 0 | 110.5 | I909 Y910 S911 S916 L1106 | I909-T913 PolarHBondContact O-N 2.97Å; I909-T913 PolarHBondContact O-OG1 3.38Å; Y910-T913 WeakPolarHBondContact O-CB 3.49Å; Y910-T913 PolarHBondContact O-N 3.44Å; S911-T913 VanDerWaalsContact C-N 3.28Å; S911-T913 PolarHBondContact O-N 3.16Å; T913-S916 WeakPolarHBondContact O-CB 3.36Å; T913-S916 PolarHBondContact O-N 2.91Å; T913-S916 PolarHBondContact O-OG 3.18Å; T913-L1106 HydrophobicContact CG2-CB 3.79Å; T913-L1106 HydrophobicContact CG2-CD1 4.4Å; T913-L1106 WeakPolarHBondContact OG1-CD1 3.38Å |
| 914 | V | 88.4 | Confident | 88.3 | Confident | 31 Ų | 31 | 30 Ų | 30 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.8 | -40.6 | -169 | 173.8 | 0 | 0 | 0 | 0 | 113.1 | Y910 S916 P1047 I1050 | Y910-V914 HydrophobicContact CD1-CG2 4.32Å; Y910-V914 HydrophobicContact CD2-CG2 4.16Å; Y910-V914 HydrophobicContact CE1-CG2 3.87Å; Y910-V914 HydrophobicContact CE2-CG2 3.69Å; Y910-V914 HydrophobicContact CG-CG2 4.45Å; Y910-V914 WeakPolarHBondContact O-CG2 3.43Å; Y910-V914 PolarHBondContact O-N 3.16Å; V914-S916 VanDerWaalsContact C-N 3.31Å; V914-S916 PolarHBondContact O-N 3.19Å; V914-P1047 HydrophobicContact CG1-CB 3.45Å; V914-P1047 VanDerWaalsContact CG1-CB 3.45Å; V914-P1047 HydrophobicContact CG1-CG 4.02Å; V914-I1050 HydrophobicContact CB-CG1 4.36Å; V914-I1050 HydrophobicContact CG1-CG1 4.11Å |
| 915 | C | 88.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.9 | 178.9 | -60.1 | 0 | 0 | 0 | 0 | 113.9 | S911 A917 W918 R919 | S911-C915 WeakPolarHBondContact O-CA 3.39Å; S911-C915 WeakPolarHBondContact O-CB 3.39Å; S911-C915 PolarHBondContact O-N 3.42Å; C915-A917 PolarHBondContact O-N 2.94Å; C915-W918 PolarHBondContact O-N 3.26Å; C915-R919 HydrophobicContact CB-CG 4.01Å; C915-R919 WeakPolarHBondContact O-CB 3.33Å; C915-R919 VanDerWaalsContact O-CG 3.31Å; C915-R919 WeakPolarHBondContact O-CG 3.34Å; C915-R919 PolarHBondContact O-N 2.87Å |
| 916 | S | 84.4 | Confident | 88.3 | Confident | 58 Ų | 58 | 32.2 Ų | 32.2 | 41% | 0.406 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -51.6 | -59.9 | -172.8 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | T912 T913 V914 W918 R919 S920 | T912-S916 WeakPolarHBondContact O-CB 3.48Å; T913-S916 WeakPolarHBondContact O-CB 3.36Å; T913-S916 PolarHBondContact O-N 2.91Å; T913-S916 PolarHBondContact O-OG 3.18Å; V914-S916 VanDerWaalsContact C-N 3.31Å; V914-S916 PolarHBondContact O-N 3.19Å; S916-W918 VanDerWaalsContact C-N 3.34Å; S916-W918 PolarHBondContact O-N 3.42Å; S916-R919 PolarHBondContact O-N 2.85Å; S916-S920 PolarHBondContact O-N 3.04Å; S916-S920 PolarHBondContact O-OG 3.45Å |
| 917 | A | 83.1 | Confident | 88 | Confident | 62 Ų | 62 | 33.1 Ų | 33.1 | 51% | 0.512 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C915 S920 Q921 | C915-A917 PolarHBondContact O-N 2.94Å; A917-S920 PolarHBondContact O-N 3.16Å; A917-Q921 PolarHBondContact O-N 2.79Å |
| 918 | W | 92 | Very high | 87.8 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 178.7 | 179.6 | 88.2 | 0 | 0 | 0 | 112.2 | C915 S916 S920 Q921 C922 L1039 Y1042 F1046 P1047 L1079 F1194 | C915-W918 PolarHBondContact O-N 3.26Å; S916-W918 VanDerWaalsContact C-N 3.34Å; S916-W918 PolarHBondContact O-N 3.42Å; W918-S920 VanDerWaalsContact C-N 3.33Å; W918-S920 PolarHBondContact O-N 2.95Å; W918-Q921 WeakPolarHBondContact O-CB 3.43Å; W918-Q921 PolarHBondContact O-N 2.94Å; W918-Q921 VanDerWaalsContact O-N 3.16Å; W918-C922 WeakPolarHBondContact CZ2-SG 3.3Å; W918-C922 PolarHBondContact O-N 3.34Å; W918-C922 PolarHBondContact O-SG 3.42Å; W918-L1039 HydrophobicContact CH2-CD2 3.77Å; W918-L1039 HydrophobicContact CZ2-CD2 4.34Å; W918-Y1042 PolarHBondContact NE1-O 3.47Å; W918-F1046 AromaticContact CD2-CD2 3.88Å; W918-F1046 HydrophobicContact CD2-CD2 3.88Å; W918-F1046 HydrophobicContact CD2-CE2 4.47Å; W918-F1046 AromaticContact CE2-CD2 3.74Å; W918-F1046 AromaticContact CE3-CD2 3.89Å; W918-F1046 HydrophobicContact CE3-CD2 3.89Å; W918-F1046 HydrophobicContact CE3-CE2 4.03Å; W918-F1046 AromaticContact CH2-CD2 3.72Å; W918-F1046 HydrophobicContact CH2-CD2 3.72Å; W918-F1046 HydrophobicContact CH2-CE2 4.03Å; W918-F1046 AromaticContact CZ2-CD2 3.69Å; W918-F1046 HydrophobicContact CZ2-CD2 3.69Å; W918-F1046 HydrophobicContact CZ2-CE2 4.45Å; W918-F1046 AromaticContact CZ3-CD2 3.8Å; W918-F1046 HydrophobicContact CZ3-CD2 3.8Å; W918-F1046 AromaticContact CZ3-CE2 3.78Å; W918-F1046 HydrophobicContact CZ3-CE2 3.78Å; W918-P1047 HydrophobicContact CB-CG 4.48Å; W918-L1079 HydrophobicContact CH2-CD2 4.18Å; W918-L1079 HydrophobicContact CZ3-CD2 3.77Å; W918-F1194 HydrophobicContact CH2-CE2 4.06Å; W918-F1194 HydrophobicContact CH2-CZ 4.11Å; W918-F1194 HydrophobicContact CZ2-CE2 4.15Å |
| 919 | R | 90.1 | Very high | 87.7 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.1 | -68.9 | 177.9 | -165 | 167.8 | 3.4 | 111.1 | S911 T912 C915 S916 Q921 C922 F923 G1078 L1079 | S911-R919 PolarHBondContact O-NH2 3.46Å; S911-R919 PolarHBondContact OG-NH2 3.43Å; T912-R919 PolarHBondContact OG1-NH1 3.35Å; C915-R919 HydrophobicContact CB-CG 4.01Å; C915-R919 WeakPolarHBondContact O-CB 3.33Å; C915-R919 VanDerWaalsContact O-CG 3.31Å; C915-R919 WeakPolarHBondContact O-CG 3.34Å; C915-R919 PolarHBondContact O-N 2.87Å; S916-R919 PolarHBondContact O-N 2.85Å; R919-Q921 VanDerWaalsContact C-N 3.35Å; R919-C922 PolarHBondContact O-N 2.91Å; R919-F923 WeakPolarHBondContact O-CD2 3.28Å; R919-F923 PolarHBondContact O-N 3.21Å; R919-F923 VanDerWaalsContact O-N 3.11Å; R919-G1078 PolarHBondContact NE-O 3.08Å; R919-G1078 VanDerWaalsContact NE-O 3.13Å; R919-G1078 PolarHBondContact NH1-O 3.4Å; R919-L1079 HydrophobicContact CG-CD2 4.46Å |
| 920 | S | 84.5 | Confident | 87.7 | Confident | 77 Ų | 77 | 37.1 Ų | 37.1 | 54% | 0.538 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 173.3 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | S916 A917 W918 R924 | S916-S920 PolarHBondContact O-N 3.04Å; S916-S920 PolarHBondContact O-OG 3.45Å; A917-S920 PolarHBondContact O-N 3.16Å; W918-S920 VanDerWaalsContact C-N 3.33Å; W918-S920 PolarHBondContact O-N 2.95Å; S920-R924 WeakPolarHBondContact O-CB 3.43Å; S920-R924 PolarHBondContact O-N 3.33Å |
| 921 | Q | 86.8 | Confident | 87.4 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 33% | 0.327 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 176.6 | -170.5 | 172.1 | 16.2 | 0 | 0 | 112 | A917 W918 R919 F923 Y1042 | A917-Q921 PolarHBondContact O-N 2.79Å; W918-Q921 WeakPolarHBondContact O-CB 3.43Å; W918-Q921 PolarHBondContact O-N 2.94Å; W918-Q921 VanDerWaalsContact O-N 3.16Å; R919-Q921 VanDerWaalsContact C-N 3.35Å; Q921-F923 PolarHBondContact O-N 3.08Å; Q921-Y1042 HydrophobicContact CG-CD1 4.1Å; Q921-Y1042 HydrophobicContact CG-CD2 3.93Å; Q921-Y1042 HydrophobicContact CG-CE1 3.97Å; Q921-Y1042 HydrophobicContact CG-CE2 3.77Å; Q921-Y1042 HydrophobicContact CG-CG 4.09Å |
| 922 | C | 89.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.4 | -26.7 | 179.7 | -66.5 | 0 | 0 | 0 | 0 | 114.8 | W918 R919 D1038 L1039 | W918-C922 WeakPolarHBondContact CZ2-SG 3.3Å; W918-C922 PolarHBondContact O-N 3.34Å; W918-C922 PolarHBondContact O-SG 3.42Å; R919-C922 PolarHBondContact O-N 2.91Å; C922-D1038 WeakPolarHBondContact O-CB 3.47Å; C922-L1039 HydrophobicContact CB-CD2 3.96Å |
| 923 | F | 90.9 | Very high | 86.9 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -109.6 | -2.4 | -177.9 | -64.9 | -51.3 | 0 | 0 | 0 | 114.8 | R919 Q921 R925 V926 C927 L1079 L1083 | R919-F923 WeakPolarHBondContact O-CD2 3.28Å; R919-F923 PolarHBondContact O-N 3.21Å; R919-F923 VanDerWaalsContact O-N 3.11Å; Q921-F923 PolarHBondContact O-N 3.08Å; F923-R925 PolarHBondContact O-N 3.05Å; F923-V926 HydrophobicContact CD1-CG2 4.38Å; F923-V926 WeakPolarHBondContact O-CB 3.33Å; F923-V926 PolarHBondContact O-N 3.48Å; F923-C927 PolarHBondContact O-N 2.99Å; F923-C927 PolarHBondContact O-SG 2.91Å; F923-L1079 HydrophobicContact CE2-CD2 3.88Å; F923-L1079 HydrophobicContact CZ-CB 4.27Å; F923-L1079 HydrophobicContact CZ-CD2 3.92Å; F923-L1083 HydrophobicContact CD1-CD2 3.98Å; F923-L1083 HydrophobicContact CD2-CD2 4.28Å; F923-L1083 HydrophobicContact CE1-CD1 4Å; F923-L1083 HydrophobicContact CE1-CD2 4.12Å; F923-L1083 HydrophobicContact CE1-CG 4.3Å; F923-L1083 HydrophobicContact CE2-CD2 4.39Å; F923-L1083 HydrophobicContact CE2-CG 4.27Å; F923-L1083 HydrophobicContact CG-CD2 4.07Å; F923-L1083 HydrophobicContact CZ-CD1 3.98Å; F923-L1083 HydrophobicContact CZ-CD2 4.31Å; F923-L1083 HydrophobicContact CZ-CG 4.1Å |
| 924 | R | 88.5 | Confident | 86.8 | Confident | 93 Ų | 93 | 46 Ų | 46 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -49.8 | -56.8 | 179.5 | 171.5 | 173.3 | 54.5 | 163.9 | 0.5 | 113.2 | S920 V926 C927 E928 W1130 | S920-R924 WeakPolarHBondContact O-CB 3.43Å; S920-R924 PolarHBondContact O-N 3.33Å; R924-V926 VanDerWaalsContact C-N 3.28Å; R924-V926 PolarHBondContact O-N 2.78Å; R924-C927 WeakPolarHBondContact O-CB 3.38Å; R924-C927 PolarHBondContact O-N 3.03Å; R924-C927 VanDerWaalsContact O-N 3.1Å; R924-E928 WeakPolarHBondContact CG-OE1 3.4Å; R924-E928 WeakPolarHBondContact O-CG 3.47Å; R924-E928 PolarHBondContact O-N 3.49Å; R924-W1130 VanDerWaalsContact CD-CZ3 3.47Å; R924-W1130 HydrophobicContact CG-CE3 4.45Å; R924-W1130 HydrophobicContact CG-CZ3 3.94Å |
| 925 | R | 88.6 | Confident | 86 | Confident | 102 Ų | 102 | 48.4 Ų | 48.4 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | -178 | -68 | 172 | 58.1 | -143.6 | 1.2 | 112.1 | F923 K929 I1034 D1038 | F923-R925 PolarHBondContact O-N 3.05Å; R925-K929 WeakPolarHBondContact O-CB 3.14Å; R925-K929 WeakPolarHBondContact O-CG 3.01Å; R925-K929 PolarHBondContact O-N 3.35Å; R925-I1034 HydrophobicContact CB-CG2 3.55Å; R925-D1038 WeakPolarHBondContact CB-OD2 3.41Å; R925-D1038 WeakPolarHBondContact CD-OD2 3.18Å; R925-D1038 IonicContact CZ-OD1 3.91Å; R925-D1038 IonicContact NH1-OD1 3.71Å; R925-D1038 PolarHBondContact NH1-OD1 3.01Å; R925-D1038 IonicContact NH1-OD2 2.69Å |
| 926 | V | 89.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | F923 R924 A930 I1034 A1035 I1156 | F923-V926 HydrophobicContact CD1-CG2 4.38Å; F923-V926 WeakPolarHBondContact O-CB 3.33Å; F923-V926 PolarHBondContact O-N 3.48Å; R924-V926 VanDerWaalsContact C-N 3.28Å; R924-V926 PolarHBondContact O-N 2.78Å; V926-A930 WeakPolarHBondContact O-CB 3.25Å; V926-A930 PolarHBondContact O-N 2.89Å; V926-I1034 HydrophobicContact CG2-CB 4.4Å; V926-I1034 HydrophobicContact CG2-CG2 3.79Å; V926-A1035 HydrophobicContact CG2-CB 3.78Å; V926-I1156 HydrophobicContact CG1-CD1 3.85Å |
| 927 | C | 87.4 | Confident | 82.4 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 112 | F923 R924 K929 A930 L931 L1086 F1153 | F923-C927 PolarHBondContact O-N 2.99Å; F923-C927 PolarHBondContact O-SG 2.91Å; R924-C927 WeakPolarHBondContact O-CB 3.38Å; R924-C927 PolarHBondContact O-N 3.03Å; R924-C927 VanDerWaalsContact O-N 3.1Å; C927-K929 PolarHBondContact O-N 2.74Å; C927-A930 PolarHBondContact O-N 3.08Å; C927-L931 VanDerWaalsContact O-CG 3.28Å; C927-L931 WeakPolarHBondContact O-CG 3.39Å; C927-L931 PolarHBondContact O-N 3.46Å; C927-L1086 WeakPolarHBondContact SG-CD2 3.41Å; C927-F1153 HydrophobicContact CB-CZ 4.41Å |
| 928 | E | 87.1 | Confident | 80 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.3 | -50.2 | 175.8 | -69.9 | 161.9 | 176 | 0 | 0 | 111.1 | R924 L931 E932 W1130 | R924-E928 WeakPolarHBondContact CG-OE1 3.4Å; R924-E928 WeakPolarHBondContact O-CG 3.47Å; R924-E928 PolarHBondContact O-N 3.49Å; E928-L931 PolarHBondContact O-N 2.82Å; E928-E932 PolarHBondContact O-N 3.17Å; E928-E932 VanDerWaalsContact O-N 3.17Å; E928-W1130 WeakPolarHBondContact OE1-CZ3 3.46Å |
| 929 | K | 86.5 | Confident | 76.9 | Confident | 73 Ų | 73 | 67 Ų | 67 | 32% | 0.317 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.3 | -23.2 | -180 | -65.6 | -47.8 | -169.4 | -172.9 | 0 | 114.9 | R925 C927 E932 W1027 L1031 I1034 | R925-K929 WeakPolarHBondContact O-CB 3.14Å; R925-K929 WeakPolarHBondContact O-CG 3.01Å; R925-K929 PolarHBondContact O-N 3.35Å; C927-K929 PolarHBondContact O-N 2.74Å; K929-E932 VanDerWaalsContact CD-CD 3.5Å; K929-E932 WeakPolarHBondContact CD-OE1 3.36Å; K929-E932 VanDerWaalsContact CD-OE2 3.26Å; K929-E932 WeakPolarHBondContact CD-OE2 3.13Å; K929-E932 IonicContact NZ-OE1 2.69Å; K929-E932 PolarHBondContact NZ-OE1 3.26Å; K929-E932 IonicContact NZ-OE2 3.7Å; K929-E932 PolarHBondContact NZ-OE2 3.01Å; K929-W1027 PolarHBondContact O-NE1 3.27Å; K929-L1031 HydrophobicContact CB-CD2 3.43Å; K929-L1031 VanDerWaalsContact CB-CD2 3.43Å; K929-I1034 HydrophobicContact CG-CD1 4.16Å |
| 930 | A | 87.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V926 C927 G933 L1031 A1149 F1153 | V926-A930 WeakPolarHBondContact O-CB 3.25Å; V926-A930 PolarHBondContact O-N 2.89Å; C927-A930 PolarHBondContact O-N 3.08Å; A930-G933 PolarHBondContact O-N 3.36Å; A930-L1031 HydrophobicContact CB-CD1 4.43Å; A930-A1149 HydrophobicContact CB-CB 4.19Å; A930-A1149 WeakPolarHBondContact O-CB 3.2Å; A930-F1153 HydrophobicContact CB-CD1 4.3Å; A930-F1153 HydrophobicContact CB-CE1 3.48Å; A930-F1153 VanDerWaalsContact CB-CE1 3.48Å; A930-F1153 HydrophobicContact CB-CE2 4.47Å; A930-F1153 HydrophobicContact CB-CZ 3.58Å |
| 931 | L | 83.8 | Confident | 71.3 | Confident | 82 Ų | 82 | 79 Ų | 79 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -77.5 | -25 | 178.3 | -69.5 | 170 | 0 | 0 | 0 | 113.7 | C927 E928 G933 P1146 A1149 | C927-L931 VanDerWaalsContact O-CG 3.28Å; C927-L931 WeakPolarHBondContact O-CG 3.39Å; C927-L931 PolarHBondContact O-N 3.46Å; E928-L931 PolarHBondContact O-N 2.82Å; L931-G933 VanDerWaalsContact C-N 3.27Å; L931-P1146 HydrophobicContact CD2-CG 4.46Å; L931-A1149 HydrophobicContact CD2-CB 4.43Å |
| 932 | E | 84 | Confident | 68.4 | Low | 132 Ų | 132 | 81 Ų | 81 | 62% | 0.617 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.6 | -26.6 | 169.7 | -76 | 176.7 | -156.3 | 0 | 0 | 113 | E928 K929 | E928-E932 PolarHBondContact O-N 3.17Å; E928-E932 VanDerWaalsContact O-N 3.17Å; K929-E932 VanDerWaalsContact CD-CD 3.5Å; K929-E932 WeakPolarHBondContact CD-OE1 3.36Å; K929-E932 VanDerWaalsContact CD-OE2 3.26Å; K929-E932 WeakPolarHBondContact CD-OE2 3.13Å; K929-E932 IonicContact NZ-OE1 2.69Å; K929-E932 PolarHBondContact NZ-OE1 3.26Å; K929-E932 IonicContact NZ-OE2 3.7Å; K929-E932 PolarHBondContact NZ-OE2 3.01Å |
| 933 | G | 79.8 | Confident | 65.7 | Low | 12 Ų | 12 | 87 Ų | 87 | 12% | 0.124 | 47% | 0.465 | C | S | . | . | trans | 76.2 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A930 L931 W1027 | A930-G933 PolarHBondContact O-N 3.36Å; L931-G933 VanDerWaalsContact C-N 3.27Å; G933-W1027 PolarHBondContact O-NE1 3.31Å | ||
| 934 | P | 82.6 | Confident | 62.7 | Low | 48 Ų | 48 | 92.7 Ų | 92.7 | 31% | 0.312 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -70.6 | 146.9 | 179.6 | 27.5 | -34 | 0 | 0 | 0 | 112.4 | S936 W1027 | P934-S936 PolarHBondContact O-N 3.42Å; P934-W1027 HydrophobicContact CB-CB 4.17Å; P934-W1027 HydrophobicContact CB-CD2 3.81Å; P934-W1027 HydrophobicContact CB-CE3 4.06Å; P934-W1027 HydrophobicContact CB-CG 3.9Å; P934-W1027 HydrophobicContact CG-CE3 4.43Å |
| 935 | P | 70.5 | Confident | 59.8 | Low | 83 Ų | 83 | 93.1 Ų | 93.1 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | trans | -70 | 98.5 | -173.5 | 27.5 | -35 | 0 | 0 | 0 | 112.7 | R1023 | P935-R1023 PolarHBondContact O-NH1 2.84Š| ||
| 936 | S | 57.8 | Low | 57.1 | Low | 101 Ų | 101 | 93.3 Ų | 93.3 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | trans | -64.4 | 150.4 | 173.3 | 56 | 0 | 0 | 0 | 0 | 112.1 | P934 K938 | P934-S936 PolarHBondContact O-N 3.42Å; S936-K938 PolarHBondContact O-N 2.94Å; S936-K938 VanDerWaalsContact O-N 3.12Å | ||
| 937 | L | 39.5 | Very low | 54.3 | Low | 127 Ų | 127 | 98.6 Ų | 98.6 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | trans | -69.8 | 108.5 | 171.6 | -81.5 | 93.2 | 0 | 0 | 0 | 109.7 | ||||
| 938 | K | 33.7 | Very low | 51.7 | Low | 196 Ų | 196 | 103.5 Ų | 103.5 | 85% | 0.852 | 60% | 0.603 | S | S | * | * | trans | -59 | 136.4 | 155.9 | -70.4 | -174.4 | 177.8 | -179.9 | 0 | 108.4 | S936 N940 | S936-K938 PolarHBondContact O-N 2.94Å; S936-K938 VanDerWaalsContact O-N 3.12Å; K938-N940 PolarHBondContact O-N 2.72Å | ||
| 939 | S | 27.2 | Very low | 48.9 | Very low | 101 Ų | 101 | 106.1 Ų | 106.1 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | -69.6 | 119.1 | -165.9 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | H941 | S939-H941 PolarHBondContact O-N 3.29Š| ||
| 940 | N | 26.1 | Very low | 46 | Very low | 164 Ų | 164 | 110.3 Ų | 110.3 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | trans | -74.1 | 76.3 | 162.2 | -83.4 | -4.8 | 0 | 0 | 0 | 110.4 | K938 | K938-N940 PolarHBondContact O-N 2.72Š| ||
| 941 | H | 30.2 | Very low | 43.1 | Very low | 177 Ų | 177 | 117.9 Ų | 117.9 | 82% | 0.819 | 69% | 0.694 | S | S | * | * | trans | -100.7 | 95.6 | 152.9 | -91.3 | -61.5 | 0 | 0 | 0 | 108.3 | S939 | S939-H941 PolarHBondContact O-N 3.29Š| ||
| 942 | S | 25.5 | Very low | 40.3 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | trans | -81.3 | 114.4 | -176.3 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 943 | T | 32.2 | Very low | 37.7 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -135.3 | 87 | 159.7 | 36.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 944 | T | 28 | Very low | 35.1 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | 57.2 | 146.4 | 140.6 | 51.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 945 | S | 29.3 | Very low | 32.6 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 64.4 | 105.8 | 164 | 35.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 946 | S | 31.6 | Very low | 30.5 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 78.2 | 132.3 | 72.2 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 947 | S | 30.1 | Very low | 29.1 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | cis | -158.4 | 158.8 | -6.2 | -80.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 948 | P | 33.5 | Very low | 28.6 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -88.1 | 136.5 | -175.6 | 33.8 | -33.7 | 0 | 0 | 0 | 113.7 | ||||
| 949 | S | 28.3 | Very low | 28.4 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -153 | 140.6 | 161.9 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 950 | L | 25.5 | Very low | 28.3 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 148 | 172.5 | -62.8 | 144.2 | 0 | 0 | 0 | 110.7 | ||||
| 951 | N | 25.8 | Very low | 28.6 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | -167.4 | 168.4 | 99.7 | -120.4 | -32.6 | 0 | 0 | 0 | 115.9 | |||||
| 952 | V | 25.4 | Very low | 28.4 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -93.2 | 133.3 | -177.1 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 953 | S | 29.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -169.3 | 137.3 | 134.5 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 954 | Q | 25.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -58.6 | 159 | 176.5 | -57.7 | 146.9 | -42.1 | 0 | 0 | 114.2 | ||||
| 955 | I | 29.2 | Very low | 28.4 | Very low | 173 Ų | 173 | 140 Ų | 140 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | -161.5 | 152.1 | 115.1 | -99.1 | 157.2 | 0 | 0 | 0 | 109.2 | |||||
| 956 | N | 27.4 | Very low | 28.3 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -91.4 | 179 | -171.8 | -73.8 | -25.4 | 0 | 0 | 0 | 113.9 | ||||
| 957 | S | 28.6 | Very low | 28.3 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 108.2 | 85.6 | 142.9 | -54.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 958 | T | 27.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 151 Ų | 151 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | 33 | 121.2 | 119.6 | 58.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 959 | N | 29.9 | Very low | 28.3 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | -172 | 167.9 | 91.2 | -104.9 | -44.9 | 0 | 0 | 0 | 114.9 | |||||
| 960 | N | 26.1 | Very low | 28.3 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -80.9 | 160.1 | 178.6 | -61.7 | -76 | 0 | 0 | 0 | 112.9 | ||||
| 961 | I | 32 | Very low | 28.7 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | -169 | 156.4 | 121.8 | -100.3 | 157.4 | 0 | 0 | 0 | 111.5 | |||||
| 962 | K | 26.8 | Very low | 28.9 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -87.3 | 149.8 | -177.5 | -53.1 | 164 | -178.1 | 170.8 | 0 | 111.7 | ||||
| 963 | S | 29.9 | Very low | 29.2 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | -172.5 | 145.9 | 118.6 | 52 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 964 | T | 26.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -84.8 | 150.7 | 175.4 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 965 | F | 28.9 | Very low | 29.5 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | -156.2 | 169.5 | 125.8 | -130.3 | -95.5 | 0 | 0 | 0 | 112.4 | |||||
| 966 | N | 27.5 | Very low | 29.7 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -113.2 | 163.4 | -168.4 | -77.4 | -71.4 | 0 | 0 | 0 | 114.1 | ||||
| 967 | Q | 30.9 | Very low | 29.8 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 128.8 | 104.2 | 139.2 | -64.4 | -172.3 | 14.1 | 0 | 0 | 117.4 | ||||
| 968 | R | 24.8 | Very low | 29.7 | Very low | 234 Ų | 234 | 147.3 Ų | 147.3 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | 9.3 | 164.7 | 117.5 | -93.7 | -177 | 169.8 | 179.1 | -2.6 | 119.6 | |||||
| 969 | P | 38.3 | Very low | 29.7 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -129.4 | -133.3 | 16.3 | 39.6 | -19.9 | 0 | 0 | 0 | 114 | ||||
| 970 | S | 28.9 | Very low | 29.5 | Very low | 89 Ų | 89 | 147.8 Ų | 147.8 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | -154.3 | -168.7 | -97.8 | 66 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 971 | I | 33.3 | Very low | 29.5 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | 81 | 129.3 | 171.4 | -62.6 | 157.2 | 0 | 0 | 0 | 113.7 | ||||
| 972 | D | 30.1 | Very low | 29.5 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | cis | -145.1 | -170.5 | 6.3 | -136.9 | -14.3 | 0 | 0 | 0 | 109 | ||||
| 973 | K | 31.8 | Very low | 29.5 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | cis | -154.7 | -177.5 | 0.6 | -138.3 | 156.8 | -171.9 | 99.1 | 0 | 105.8 | ||||
| 974 | S | 32.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | cis | -146.3 | 166.3 | 1.8 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 975 | S | 28.8 | Very low | 29.7 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | -103.2 | 160 | -174.7 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 976 | H | 33.2 | Very low | 29.7 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | trans | -156.2 | 175.3 | 138 | -95.6 | -56 | 0 | 0 | 0 | 110.7 | ||||
| 977 | H | 29.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -147.3 | 173.9 | -144.8 | -144.9 | -83.1 | 0 | 0 | 0 | 113.7 | ||||
| 978 | C | 27.9 | Very low | 29.6 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 90 | 175.4 | 160.8 | -60.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 979 | T | 25.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -144.6 | 165.4 | -141.6 | 52.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 980 | N | 26.3 | Very low | 29.2 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 75.7 | 114.1 | 156.9 | -68.9 | -9.1 | 0 | 0 | 0 | 120.6 | ||||
| 981 | S | 26.7 | Very low | 29.1 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | 62.6 | 119.7 | 126.9 | -159.7 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 982 | I | 30.9 | Very low | 29.4 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | -128.7 | 127.3 | 146.2 | -66.1 | -179 | 0 | 0 | 0 | 108.1 | ||||
| 983 | N | 28.1 | Very low | 29.4 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | trans | -91.3 | 143.4 | 164.9 | -98.8 | -5.9 | 0 | 0 | 0 | 109.6 | ||||
| 984 | S | 31.7 | Very low | 29.1 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -127.2 | 114.2 | 159.1 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 985 | H | 27.3 | Very low | 29 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -92 | 134.4 | 178.2 | -81.2 | -97.9 | 0 | 0 | 0 | 111 | ||||
| 986 | H | 30.8 | Very low | 28.8 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -164.1 | 113 | 133.6 | -89 | -60.8 | 0 | 0 | 0 | 105.9 | ||||
| 987 | S | 26.6 | Very low | 28.5 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | 58.3 | 119.2 | 75.2 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 988 | L | 29 | Very low | 28.4 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | cis | -156.5 | 179.9 | 21.4 | -108.9 | 148 | 0 | 0 | 0 | 113.2 | ||||
| 989 | T | 25.8 | Very low | 28.4 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -43.3 | 156.5 | 167.3 | -160.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 990 | T | 29.4 | Very low | 28.3 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | cis | -149.5 | 165 | 40 | 23.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 991 | R | 26.9 | Very low | 28.4 | Very low | 232 Ų | 232 | 130 Ų | 130 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | -122.8 | 173.9 | 148.2 | -92.7 | -170.5 | 179.5 | -167.6 | 1 | 107.1 | ||||
| 992 | P | 39.2 | Very low | 28.5 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -115 | -143.1 | 6 | 26.9 | -1.4 | 0 | 0 | 0 | 109.9 | ||||
| 993 | Y | 28.9 | Very low | 28.4 | Very low | 218 Ų | 218 | 128.2 Ų | 128.2 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | cis | -154.9 | -154.3 | 10.2 | -137.6 | -19.5 | 0 | 0 | 0 | 113.8 | ||||
| 994 | S | 26.3 | Very low | 28.4 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | trans | -96.8 | 147.6 | -165.5 | 50.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 995 | L | 29 | Very low | 28.1 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | -175.2 | 172 | 113.1 | -99.1 | 165.7 | 0 | 0 | 0 | 113 | |||||
| 996 | S | 24.8 | Very low | 28.3 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -78.1 | -179.1 | -176.1 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 997 | T | 28 | Very low | 28.2 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | cis | -167.8 | 141.1 | 30.2 | -25.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 998 | G | 28 | Very low | 28.4 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 60.2 | -176.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 999 | A | 26.8 | Very low | 28.4 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | cis | -171.5 | 136.1 | -36 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1000 | A | 24.8 | Very low | 28.4 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 96% | 0.959 | 78% | 0.784 | S | S | * | * | trans | 57.7 | 127.5 | 166 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1001 | G | 28.4 | Very low | 28.6 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | 179.5 | 139.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1002 | S | 28.8 | Very low | 28.9 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -139.7 | 124.3 | -158.9 | -176.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1003 | V | 28.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 57.3 | 106.8 | 146.4 | -179.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1004 | K | 28.6 | Very low | 28.7 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | -168.6 | 124.8 | 108 | -93.3 | -177.6 | -174.5 | -178.8 | 0 | 108.5 | |||||
| 1005 | F | 25.5 | Very low | 29.2 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 74% | 0.737 | 78% | 0.779 | S | S | * | * | 73 | 103 | 81.2 | -118.7 | -74.3 | 0 | 0 | 0 | 114.2 | Q1007 | F1005-Q1007 HydrophobicContact CE1-CG 4.46Š| |||
| 1006 | D | 31.1 | Very low | 29.7 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -154.5 | 161.6 | 132.6 | -113.1 | -30.5 | 0 | 0 | 0 | 110.1 | ||||
| 1007 | Q | 27.5 | Very low | 30.4 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -111 | 153.9 | -172.1 | -63 | 177.8 | -28.3 | 0 | 0 | 112.4 | F1005 | F1005-Q1007 HydrophobicContact CE1-CG 4.46Š| ||
| 1008 | I | 31.4 | Very low | 31 | Very low | 164 Ų | 164 | 124.9 Ų | 124.9 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | -174.5 | 141.1 | 137.7 | -100 | 154 | 0 | 0 | 0 | 113.1 | ||||
| 1009 | S | 29 | Very low | 31.9 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 43.6 | 93.9 | 161.3 | 69.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1010 | S | 26.1 | Very low | 33 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | 43.4 | 114 | 118.4 | 63.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1011 | T | 33.8 | Very low | 34.6 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | -145.3 | 128.8 | 129.9 | 35.8 | 0 | 0 | 0 | 0 | 110 | N1013 | T1011-N1013 PolarHBondContact O-N 3.39Š| |||
| 1012 | P | 32 | Very low | 36.6 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 84% | 0.844 | 69% | 0.693 | S | S | * | * | trans | -92.4 | 97.8 | -177 | 33.7 | -31.8 | 0 | 0 | 0 | 112 | ||||
| 1013 | N | 31.4 | Very low | 38.7 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | trans | -144.7 | 37.6 | 173.3 | -131.6 | -1.2 | 0 | 0 | 0 | 113 | T1011 | T1011-N1013 PolarHBondContact O-N 3.39Š| ||
| 1014 | Q | 32.8 | Very low | 41.1 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 62% | 0.621 | 65% | 0.653 | S | S | * | * | trans | -112.2 | -10 | -174.1 | -72.1 | -174.2 | -23.4 | 0 | 0 | 115.3 | S1016 L1017 Q1018 | Q1014-S1016 VanDerWaalsContact C-N 3.33Å; Q1014-S1016 PolarHBondContact O-N 3.4Å; Q1014-L1017 PolarHBondContact O-N 3.05Å; Q1014-Q1018 PolarHBondContact O-N 3.21Å | ||
| 1015 | S | 36.2 | Very low | 43.6 | Very low | 86 Ų | 86 | 118 Ų | 118 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.1 | -33.2 | -171.4 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | H1019 | S1015-H1019 WeakPolarHBondContact O-CB 3.45Å; S1015-H1019 PolarHBondContact O-N 3.46Å |
| 1016 | S | 40.6 | Very low | 46.4 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 57% | 0.566 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72 | -34.6 | 177.6 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | Q1014 H1020 | Q1014-S1016 VanDerWaalsContact C-N 3.33Å; Q1014-S1016 PolarHBondContact O-N 3.4Å; S1016-H1020 PolarHBondContact O-N 3.05Å |
| 1017 | L | 38.4 | Very low | 49.1 | Very low | 133 Ų | 133 | 108.6 Ų | 108.6 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -80 | -40.7 | 178.3 | -81.6 | 157.5 | 0 | 0 | 0 | 111.9 | Q1014 H1020 H1021 | Q1014-L1017 PolarHBondContact O-N 3.05Å; L1017-H1020 PolarHBondContact O-N 2.87Å; L1017-H1021 PolarHBondContact O-N 3.31Å |
| 1018 | Q | 42.2 | Very low | 52 | Low | 126 Ų | 126 | 101.9 Ų | 101.9 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 175 | -79.3 | -175.2 | -42.3 | 0 | 0 | 112.1 | Q1014 H1020 H1021 T1022 | Q1014-Q1018 PolarHBondContact O-N 3.21Å; Q1018-H1020 PolarHBondContact O-N 3.35Å; Q1018-H1021 PolarHBondContact O-N 3.45Å; Q1018-T1022 PolarHBondContact O-N 2.69Å; Q1018-T1022 PolarHBondContact O-OG1 2.74Å |
| 1019 | H | 46.6 | Very low | 54.8 | Low | 129 Ų | 129 | 96.4 Ų | 96.4 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -26.6 | 177.3 | -94.5 | -51.2 | 0 | 0 | 0 | 114.1 | S1015 T1022 R1023 | S1015-H1019 WeakPolarHBondContact O-CB 3.45Å; S1015-H1019 PolarHBondContact O-N 3.46Å; H1019-T1022 PolarHBondContact O-OG1 3.41Å; H1019-R1023 WeakPolarHBondContact O-CG 3.33Å; H1019-R1023 PolarHBondContact O-N 2.73Å |
| 1020 | H | 48.8 | Very low | 57.6 | Low | 131 Ų | 131 | 96.6 Ų | 96.6 | 61% | 0.606 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.1 | -47.2 | 175.5 | -124.7 | -72.6 | 0 | 0 | 0 | 111.1 | S1016 L1017 Q1018 E1024 | S1016-H1020 PolarHBondContact O-N 3.05Å; L1017-H1020 PolarHBondContact O-N 2.87Å; Q1018-H1020 PolarHBondContact O-N 3.35Å; H1020-E1024 WeakPolarHBondContact O-CB 3.5Å; H1020-E1024 PolarHBondContact O-N 3.29Å; H1020-E1024 VanDerWaalsContact O-N 3.1Å |
| 1021 | H | 59.8 | Low | 60.8 | Low | 117 Ų | 117 | 91.4 Ų | 91.4 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.6 | -103.4 | 1.8 | 0 | 0 | 0 | 112.5 | L1017 Q1018 R1023 E1024 Q1025 | L1017-H1021 PolarHBondContact O-N 3.31Å; Q1018-H1021 PolarHBondContact O-N 3.45Å; H1021-R1023 PolarHBondContact O-N 3.25Å; H1021-E1024 IonicContact CE1-OE2 3.94Å; H1021-E1024 IonicContact ND1-OE2 3.32Å; H1021-E1024 PolarHBondContact ND1-OE2 3.37Å; H1021-E1024 PolarHBondContact O-N 2.91Å; H1021-Q1025 WeakPolarHBondContact O-CB 3.3Å; H1021-Q1025 WeakPolarHBondContact O-CG 3.45Å; H1021-Q1025 PolarHBondContact O-N 3.44Å |
| 1022 | T | 70.1 | Confident | 63.5 | Low | 53 Ų | 53 | 85 Ų | 85 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | -179.4 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | Q1018 H1019 Q1025 E1026 | Q1018-T1022 PolarHBondContact O-N 2.69Å; Q1018-T1022 PolarHBondContact O-OG1 2.74Å; H1019-T1022 PolarHBondContact O-OG1 3.41Å; T1022-Q1025 WeakPolarHBondContact O-CB 3.47Å; T1022-Q1025 PolarHBondContact O-N 2.89Å; T1022-E1026 WeakPolarHBondContact O-CB 3.35Å; T1022-E1026 VanDerWaalsContact O-CG 3.26Å; T1022-E1026 WeakPolarHBondContact O-CG 3.38Å; T1022-E1026 PolarHBondContact O-N 3.49Å |
| 1023 | R | 73.5 | Confident | 66.3 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 33% | 0.332 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 174 | -80.3 | -173.5 | 172.1 | -144.8 | 0.7 | 113.4 | P935 H1019 H1021 Q1025 E1026 W1027 | P935-R1023 PolarHBondContact O-NH1 2.84Å; H1019-R1023 WeakPolarHBondContact O-CG 3.33Å; H1019-R1023 PolarHBondContact O-N 2.73Å; H1021-R1023 PolarHBondContact O-N 3.25Å; R1023-Q1025 VanDerWaalsContact C-N 3.34Å; R1023-E1026 PolarHBondContact O-N 2.81Å; R1023-W1027 WeakPolarHBondContact O-CB 3.38Å; R1023-W1027 PolarHBondContact O-N 3.01Å |
| 1024 | E | 78.2 | Confident | 69.2 | Low | 72 Ų | 72 | 73.9 Ų | 73.9 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 176 | -177.1 | 168.2 | -137.3 | 0 | 0 | 110.8 | H1020 H1021 W1027 H1028 | H1020-E1024 WeakPolarHBondContact O-CB 3.5Å; H1020-E1024 PolarHBondContact O-N 3.29Å; H1020-E1024 VanDerWaalsContact O-N 3.1Å; H1021-E1024 IonicContact CE1-OE2 3.94Å; H1021-E1024 IonicContact ND1-OE2 3.32Å; H1021-E1024 PolarHBondContact ND1-OE2 3.37Å; H1021-E1024 PolarHBondContact O-N 2.91Å; E1024-W1027 PolarHBondContact O-N 3.31Å; E1024-H1028 PolarHBondContact O-N 3.07Å; E1024-H1028 PolarHBondContact O-ND1 3.45Å |
| 1025 | Q | 81.2 | Confident | 72 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 172.6 | -71.9 | 177.4 | -23.1 | 0 | 0 | 112.2 | H1021 T1022 R1023 W1027 H1028 H1029 G1176 F1177 | H1021-Q1025 WeakPolarHBondContact O-CB 3.3Å; H1021-Q1025 WeakPolarHBondContact O-CG 3.45Å; H1021-Q1025 PolarHBondContact O-N 3.44Å; T1022-Q1025 WeakPolarHBondContact O-CB 3.47Å; T1022-Q1025 PolarHBondContact O-N 2.89Å; R1023-Q1025 VanDerWaalsContact C-N 3.34Å; Q1025-W1027 VanDerWaalsContact C-N 3.32Å; Q1025-W1027 PolarHBondContact O-N 3.41Å; Q1025-H1028 PolarHBondContact O-N 2.97Å; Q1025-H1029 PolarHBondContact O-N 3.17Å; Q1025-G1176 PolarHBondContact NE2-O 2.88Å; Q1025-F1177 HydrophobicContact CB-CB 3.47Å; Q1025-F1177 VanDerWaalsContact CB-CB 3.47Å; Q1025-F1177 HydrophobicContact CG-CB 3.67Å |
| 1026 | E | 83.7 | Confident | 74.7 | Confident | 122 Ų | 122 | 63.4 Ų | 63.4 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.7 | -40 | 172.8 | -75 | 164.7 | -179.9 | 0 | 0 | 112.1 | T1022 R1023 H1029 H1030 | T1022-E1026 WeakPolarHBondContact O-CB 3.35Å; T1022-E1026 VanDerWaalsContact O-CG 3.26Å; T1022-E1026 WeakPolarHBondContact O-CG 3.38Å; T1022-E1026 PolarHBondContact O-N 3.49Å; R1023-E1026 PolarHBondContact O-N 2.81Å; E1026-H1029 WeakPolarHBondContact O-CB 3.13Å; E1026-H1029 PolarHBondContact O-N 3.06Å; E1026-H1030 WeakPolarHBondContact O-CB 3.26Å; E1026-H1030 PolarHBondContact O-N 3.27Å |
| 1027 | W | 88 | Confident | 77.1 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 176.1 | 177.4 | 71.2 | 0 | 0 | 0 | 112.1 | K929 G933 P934 R1023 E1024 Q1025 H1029 H1030 L1031 H1148 A1152 | K929-W1027 PolarHBondContact O-NE1 3.27Å; G933-W1027 PolarHBondContact O-NE1 3.31Å; P934-W1027 HydrophobicContact CB-CB 4.17Å; P934-W1027 HydrophobicContact CB-CD2 3.81Å; P934-W1027 HydrophobicContact CB-CE3 4.06Å; P934-W1027 HydrophobicContact CB-CG 3.9Å; P934-W1027 HydrophobicContact CG-CE3 4.43Å; R1023-W1027 WeakPolarHBondContact O-CB 3.38Å; R1023-W1027 PolarHBondContact O-N 3.01Å; E1024-W1027 PolarHBondContact O-N 3.31Å; Q1025-W1027 VanDerWaalsContact C-N 3.32Å; Q1025-W1027 PolarHBondContact O-N 3.41Å; W1027-H1029 VanDerWaalsContact C-N 3.33Å; W1027-H1029 PolarHBondContact O-N 3.21Å; W1027-H1030 PolarHBondContact O-N 2.83Å; W1027-L1031 HydrophobicContact CD2-CD1 4.02Å; W1027-L1031 HydrophobicContact CE3-CD1 4.33Å; W1027-L1031 HydrophobicContact CH2-CD1 4.17Å; W1027-L1031 HydrophobicContact CZ2-CD1 3.84Å; W1027-L1031 HydrophobicContact CZ3-CD1 4.39Å; W1027-L1031 WeakPolarHBondContact O-CG 3.21Å; W1027-L1031 PolarHBondContact O-N 3.09Å; W1027-H1148 HydrophobicContact CH2-CB 4.48Å; W1027-A1152 HydrophobicContact CH2-CB 3.77Å; W1027-A1152 HydrophobicContact CZ3-CB 3.8Å |
| 1028 | H | 88.6 | Confident | 79.7 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 172.7 | -72.2 | 100.5 | 0 | 0 | 0 | 112.4 | E1024 Q1025 L1032 I1155 F1177 | E1024-H1028 PolarHBondContact O-N 3.07Å; E1024-H1028 PolarHBondContact O-ND1 3.45Å; Q1025-H1028 PolarHBondContact O-N 2.97Å; H1028-L1032 WeakPolarHBondContact O-CB 3.37Å; H1028-L1032 PolarHBondContact O-N 3.5Å; H1028-I1155 WeakPolarHBondContact NE2-CD1 3.39Å; H1028-F1177 HydrophobicContact CB-CD2 3.92Å; H1028-F1177 HydrophobicContact CB-CE2 3.94Å; H1028-F1177 HydrophobicContact CB-CG 4.27Å; H1028-F1177 HydrophobicContact CB-CZ 4.29Å |
| 1029 | H | 88.8 | Confident | 82 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 172.8 | 179.8 | 65.3 | 0 | 0 | 0 | 111.9 | Q1025 E1026 W1027 L1032 S1033 F1177 L1178 Q1182 | Q1025-H1029 PolarHBondContact O-N 3.17Å; E1026-H1029 WeakPolarHBondContact O-CB 3.13Å; E1026-H1029 PolarHBondContact O-N 3.06Å; W1027-H1029 VanDerWaalsContact C-N 3.33Å; W1027-H1029 PolarHBondContact O-N 3.21Å; H1029-L1032 PolarHBondContact O-N 2.89Å; H1029-S1033 PolarHBondContact O-N 2.75Å; H1029-F1177 HydrophobicContact CB-CD2 4.11Å; H1029-L1178 VanDerWaalsContact ND1-CD2 3.26Å; H1029-L1178 WeakPolarHBondContact ND1-CD2 3.48Å; H1029-Q1182 PolarHBondContact NE2-NE2 3.45Å |
| 1030 | H | 89.7 | Confident | 84.2 | Confident | 102 Ų | 102 | 44.5 Ų | 44.5 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 178.5 | -175.5 | 58.2 | 0 | 0 | 0 | 112.5 | E1026 W1027 L1032 S1033 I1034 | E1026-H1030 WeakPolarHBondContact O-CB 3.26Å; E1026-H1030 PolarHBondContact O-N 3.27Å; W1027-H1030 PolarHBondContact O-N 2.83Å; H1030-L1032 VanDerWaalsContact C-N 3.29Å; H1030-L1032 PolarHBondContact O-N 2.71Å; H1030-S1033 PolarHBondContact O-N 3.06Å; H1030-I1034 WeakPolarHBondContact O-CG1 3.48Å; H1030-I1034 PolarHBondContact O-N 3.01Å |
| 1031 | L | 91.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -38.6 | 175.3 | -67.3 | 176.3 | 0 | 0 | 0 | 112.1 | K929 A930 W1027 I1034 A1035 A1152 I1156 | K929-L1031 HydrophobicContact CB-CD2 3.43Å; K929-L1031 VanDerWaalsContact CB-CD2 3.43Å; A930-L1031 HydrophobicContact CB-CD1 4.43Å; W1027-L1031 HydrophobicContact CD2-CD1 4.02Å; W1027-L1031 HydrophobicContact CE3-CD1 4.33Å; W1027-L1031 HydrophobicContact CH2-CD1 4.17Å; W1027-L1031 HydrophobicContact CZ2-CD1 3.84Å; W1027-L1031 HydrophobicContact CZ3-CD1 4.39Å; W1027-L1031 WeakPolarHBondContact O-CG 3.21Å; W1027-L1031 PolarHBondContact O-N 3.09Å; L1031-I1034 PolarHBondContact O-N 2.86Å; L1031-A1035 PolarHBondContact O-N 3.1Å; L1031-A1152 HydrophobicContact CD1-CB 3.99Å; L1031-I1156 HydrophobicContact CB-CD1 3.6Å; L1031-I1156 HydrophobicContact CB-CG1 4.41Å; L1031-I1156 HydrophobicContact CD1-CD1 4.05Å; L1031-I1156 HydrophobicContact CG-CD1 4.45Å |
| 1032 | L | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 176.3 | -178.1 | 67.1 | 0 | 0 | 0 | 112.3 | H1028 H1029 H1030 A1035 V1036 I1156 T1159 L1160 L1163 F1177 L1178 L1186 | H1028-L1032 WeakPolarHBondContact O-CB 3.37Å; H1028-L1032 PolarHBondContact O-N 3.5Å; H1029-L1032 PolarHBondContact O-N 2.89Å; H1030-L1032 VanDerWaalsContact C-N 3.29Å; H1030-L1032 PolarHBondContact O-N 2.71Å; L1032-A1035 PolarHBondContact O-N 2.84Å; L1032-V1036 WeakPolarHBondContact O-CG2 3.37Å; L1032-V1036 PolarHBondContact O-N 3.16Å; L1032-I1156 HydrophobicContact CD1-CG2 4.18Å; L1032-T1159 HydrophobicContact CD1-CG2 4.45Å; L1032-T1159 HydrophobicContact CD2-CG2 3.53Å; L1032-L1160 HydrophobicContact CD1-CD2 3.8Å; L1032-L1160 HydrophobicContact CD1-CG 3.86Å; L1032-L1163 HydrophobicContact CD1-CD1 4.22Å; L1032-L1163 HydrophobicContact CD2-CD1 4.16Å; L1032-L1163 HydrophobicContact CG-CD1 4.48Å; L1032-F1177 HydrophobicContact CD2-CE2 4.05Å; L1032-F1177 HydrophobicContact CD2-CZ 4.3Å; L1032-L1178 HydrophobicContact CD2-CD1 3.78Å; L1032-L1178 HydrophobicContact CD2-CD2 4.49Å; L1032-L1186 HydrophobicContact CD2-CD1 3.98Å; L1032-L1186 HydrophobicContact CG-CD1 4.33Å |
| 1033 | S | 90.7 | Very high | 88.8 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 173.1 | -165.6 | 0 | 0 | 0 | 0 | 110.4 | H1029 H1030 A1035 V1036 D1037 | H1029-S1033 PolarHBondContact O-N 2.75Å; H1030-S1033 PolarHBondContact O-N 3.06Å; S1033-A1035 VanDerWaalsContact C-N 3.27Å; S1033-A1035 PolarHBondContact O-N 3.16Å; S1033-V1036 PolarHBondContact O-N 3.23Å; S1033-D1037 WeakPolarHBondContact O-CB 3.44Å; S1033-D1037 PolarHBondContact O-N 2.82Å; S1033-D1037 PolarHBondContact OG-OD2 2.9Å |
| 1034 | I | 92 | Very high | 89.4 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.1 | -46.2 | 176.1 | -68.3 | 172.7 | 0 | 0 | 0 | 110.8 | R925 V926 K929 H1030 L1031 V1036 D1037 D1038 | R925-I1034 HydrophobicContact CB-CG2 3.55Å; V926-I1034 HydrophobicContact CG2-CB 4.4Å; V926-I1034 HydrophobicContact CG2-CG2 3.79Å; K929-I1034 HydrophobicContact CG-CD1 4.16Å; H1030-I1034 WeakPolarHBondContact O-CG1 3.48Å; H1030-I1034 PolarHBondContact O-N 3.01Å; L1031-I1034 PolarHBondContact O-N 2.86Å; I1034-V1036 PolarHBondContact O-N 2.9Å; I1034-D1037 PolarHBondContact O-N 2.86Å; I1034-D1038 WeakPolarHBondContact O-CB 3.2Å; I1034-D1038 PolarHBondContact O-N 2.77Å |
| 1035 | A | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V926 L1031 L1032 S1033 L1039 I1156 | V926-A1035 HydrophobicContact CG2-CB 3.78Å; L1031-A1035 PolarHBondContact O-N 3.1Å; L1032-A1035 PolarHBondContact O-N 2.84Å; S1033-A1035 VanDerWaalsContact C-N 3.27Å; S1033-A1035 PolarHBondContact O-N 3.16Å; A1035-L1039 VanDerWaalsContact O-CB 3.26Å; A1035-L1039 WeakPolarHBondContact O-CB 3.27Å; A1035-L1039 WeakPolarHBondContact O-CD1 3.38Å; A1035-L1039 WeakPolarHBondContact O-CG 3.36Å; A1035-L1039 PolarHBondContact O-N 3.24Å; A1035-L1039 VanDerWaalsContact O-N 3.09Å; A1035-I1156 HydrophobicContact CB-CG2 4.34Å |
| 1036 | V | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.9 | -41.3 | 178 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L1032 S1033 I1034 I1040 L1160 L1186 L1190 | L1032-V1036 WeakPolarHBondContact O-CG2 3.37Å; L1032-V1036 PolarHBondContact O-N 3.16Å; S1033-V1036 PolarHBondContact O-N 3.23Å; I1034-V1036 PolarHBondContact O-N 2.9Å; V1036-I1040 HydrophobicContact CG1-CD1 3.74Å; V1036-I1040 WeakPolarHBondContact O-CB 3.17Å; V1036-I1040 WeakPolarHBondContact O-CD1 3.27Å; V1036-I1040 VanDerWaalsContact O-CG1 3.3Å; V1036-I1040 WeakPolarHBondContact O-CG1 3.4Å; V1036-I1040 PolarHBondContact O-N 3.05Å; V1036-L1160 HydrophobicContact CG2-CD2 4.01Å; V1036-L1186 HydrophobicContact CB-CD2 4.23Å; V1036-L1186 HydrophobicContact CG1-CD2 4.14Å; V1036-L1186 HydrophobicContact CG2-CD2 4.24Å; V1036-L1190 HydrophobicContact CG1-CD2 4.05Å; V1036-L1190 HydrophobicContact CG1-CG 4.02Å; V1036-L1190 HydrophobicContact CG2-CD1 4Å; V1036-L1190 HydrophobicContact CG2-CD2 4.19Å; V1036-L1190 HydrophobicContact CG2-CG 4.16Å |
| 1037 | D | 91.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 37.3 Ų | 37.3 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 179.9 | -66.7 | -42.5 | 0 | 0 | 0 | 111.9 | S1033 I1034 T1041 R1189 | S1033-D1037 WeakPolarHBondContact O-CB 3.44Å; S1033-D1037 PolarHBondContact O-N 2.82Å; S1033-D1037 PolarHBondContact OG-OD2 2.9Å; I1034-D1037 PolarHBondContact O-N 2.86Å; D1037-T1041 VanDerWaalsContact O-CB 3.3Å; D1037-T1041 WeakPolarHBondContact O-CB 3.11Å; D1037-T1041 PolarHBondContact O-N 2.63Å; D1037-T1041 PolarHBondContact O-OG1 2.84Å; D1037-R1189 IonicContact OD1-CZ 2.65Å; D1037-R1189 VanDerWaalsContact OD1-CZ 3.24Å; D1037-R1189 IonicContact OD1-NH1 3.46Å; D1037-R1189 PolarHBondContact OD1-NH1 2.98Å; D1037-R1189 IonicContact OD1-NH2 2.7Å; D1037-R1189 PolarHBondContact OD1-NH2 3.34Å |
| 1038 | D | 92.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 175.4 | -75.9 | -15.6 | 0 | 0 | 0 | 111.6 | C922 R925 I1034 I1040 T1041 Y1042 | C922-D1038 WeakPolarHBondContact O-CB 3.47Å; R925-D1038 WeakPolarHBondContact CB-OD2 3.41Å; R925-D1038 WeakPolarHBondContact CD-OD2 3.18Å; R925-D1038 IonicContact CZ-OD1 3.91Å; R925-D1038 IonicContact NH1-OD1 3.71Å; R925-D1038 PolarHBondContact NH1-OD1 3.01Å; R925-D1038 IonicContact NH1-OD2 2.69Å; I1034-D1038 WeakPolarHBondContact O-CB 3.2Å; I1034-D1038 PolarHBondContact O-N 2.77Å; D1038-I1040 PolarHBondContact O-N 3.26Å; D1038-T1041 PolarHBondContact O-N 2.86Å; D1038-Y1042 HydrophobicContact CB-CD2 4.29Å; D1038-Y1042 HydrophobicContact CB-CE2 4.24Å; D1038-Y1042 WeakPolarHBondContact O-CD2 3.41Å; D1038-Y1042 PolarHBondContact O-N 3.13Å |
| 1039 | L | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 175.7 | -79.9 | 170.3 | 0 | 0 | 0 | 112 | W918 C922 A1035 V1043 L1079 F1194 | W918-L1039 HydrophobicContact CH2-CD2 3.77Å; W918-L1039 HydrophobicContact CZ2-CD2 4.34Å; C922-L1039 HydrophobicContact CB-CD2 3.96Å; A1035-L1039 VanDerWaalsContact O-CB 3.26Å; A1035-L1039 WeakPolarHBondContact O-CB 3.27Å; A1035-L1039 WeakPolarHBondContact O-CD1 3.38Å; A1035-L1039 WeakPolarHBondContact O-CG 3.36Å; A1035-L1039 PolarHBondContact O-N 3.24Å; A1035-L1039 VanDerWaalsContact O-N 3.09Å; L1039-V1043 PolarHBondContact O-N 3.14Å; L1039-V1043 VanDerWaalsContact O-N 3.1Å; L1039-L1079 HydrophobicContact CD1-CD1 4.22Å; L1039-L1079 HydrophobicContact CD2-CD1 3.95Å; L1039-L1079 HydrophobicContact CD2-CD2 4.02Å; L1039-F1194 HydrophobicContact CB-CD2 3.92Å; L1039-F1194 HydrophobicContact CB-CE2 3.81Å; L1039-F1194 HydrophobicContact CB-CZ 4.48Å; L1039-F1194 HydrophobicContact CD2-CE2 3.8Å; L1039-F1194 HydrophobicContact CD2-CZ 3.91Å; L1039-F1194 HydrophobicContact CG-CE2 4.33Å; L1039-F1194 VanDerWaalsContact O-CD2 3.27Å; L1039-F1194 WeakPolarHBondContact O-CD2 3.36Å; L1039-F1194 WeakPolarHBondContact O-CE2 3.47Å |
| 1040 | I | 92.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 176.2 | -71.4 | 166.4 | 0 | 0 | 0 | 110.9 | V1036 D1038 Y1042 V1043 R1189 E1193 F1194 | V1036-I1040 HydrophobicContact CG1-CD1 3.74Å; V1036-I1040 WeakPolarHBondContact O-CB 3.17Å; V1036-I1040 WeakPolarHBondContact O-CD1 3.27Å; V1036-I1040 VanDerWaalsContact O-CG1 3.3Å; V1036-I1040 WeakPolarHBondContact O-CG1 3.4Å; V1036-I1040 PolarHBondContact O-N 3.05Å; D1038-I1040 PolarHBondContact O-N 3.26Å; I1040-Y1042 PolarHBondContact O-N 2.83Å; I1040-V1043 WeakPolarHBondContact O-CG1 3.25Å; I1040-V1043 PolarHBondContact O-N 2.69Å; I1040-R1189 HydrophobicContact CD1-CB 3.96Å; I1040-E1193 HydrophobicContact CD1-CB 4.09Å; I1040-E1193 HydrophobicContact CG1-CB 4.06Å; I1040-E1193 HydrophobicContact CG2-CB 3.95Å; I1040-E1193 WeakPolarHBondContact CG2-OE2 3.48Å; I1040-F1194 HydrophobicContact CG1-CB 4Å |
| 1041 | T | 92.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 31.3 Ų | 31.3 | 56% | 0.558 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -61.1 | -44.8 | 180 | -62 | 0 | 0 | 0 | 0 | 111.9 | D1037 D1038 | D1037-T1041 VanDerWaalsContact O-CB 3.3Å; D1037-T1041 WeakPolarHBondContact O-CB 3.11Å; D1037-T1041 PolarHBondContact O-N 2.63Å; D1037-T1041 PolarHBondContact O-OG1 2.84Å; D1038-T1041 PolarHBondContact O-N 2.86Å |
| 1042 | Y | 91.2 | Very high | 91.6 | Very high | 47 Ų | 47 | 34 Ų | 34 | 18% | 0.184 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 7.4 | -177.5 | -57.5 | -57.1 | 0 | 0 | 0 | 114 | W918 Q921 D1038 I1040 R1044 T1045 | W918-Y1042 PolarHBondContact NE1-O 3.47Å; Q921-Y1042 HydrophobicContact CG-CD1 4.1Å; Q921-Y1042 HydrophobicContact CG-CD2 3.93Å; Q921-Y1042 HydrophobicContact CG-CE1 3.97Å; Q921-Y1042 HydrophobicContact CG-CE2 3.77Å; Q921-Y1042 HydrophobicContact CG-CG 4.09Å; D1038-Y1042 HydrophobicContact CB-CD2 4.29Å; D1038-Y1042 HydrophobicContact CB-CE2 4.24Å; D1038-Y1042 WeakPolarHBondContact O-CD2 3.41Å; D1038-Y1042 PolarHBondContact O-N 3.13Å; I1040-Y1042 PolarHBondContact O-N 2.83Å; Y1042-R1044 PolarHBondContact O-N 3.04Å; Y1042-R1044 VanDerWaalsContact O-N 3.15Å; Y1042-T1045 PolarHBondContact O-N 3.44Å; Y1042-T1045 VanDerWaalsContact O-N 3.1Å; Y1042-T1045 PolarHBondContact O-OG1 2.78Å |
| 1043 | V | 90.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -57.3 | -32.9 | 179.9 | 78.1 | 0 | 0 | 0 | 0 | 113 | L1039 I1040 T1045 F1046 F1194 P1197 I1198 | L1039-V1043 PolarHBondContact O-N 3.14Å; L1039-V1043 VanDerWaalsContact O-N 3.1Å; I1040-V1043 WeakPolarHBondContact O-CG1 3.25Å; I1040-V1043 PolarHBondContact O-N 2.69Å; V1043-T1045 VanDerWaalsContact C-N 3.3Å; V1043-T1045 PolarHBondContact O-N 3.47Å; V1043-F1046 WeakPolarHBondContact O-CB 3.36Å; V1043-F1046 PolarHBondContact O-N 3.32Å; V1043-F1194 HydrophobicContact CB-CD2 4.04Å; V1043-F1194 HydrophobicContact CG2-CD2 3.68Å; V1043-F1194 HydrophobicContact CG2-CE2 4.17Å; V1043-F1194 HydrophobicContact CG2-CG 4.35Å; V1043-F1194 VanDerWaalsContact CG2-O 3.26Å; V1043-F1194 WeakPolarHBondContact CG2-O 3.27Å; V1043-P1197 HydrophobicContact CG1-CB 4.28Å; V1043-P1197 HydrophobicContact CG1-CG 4.03Å; V1043-P1197 HydrophobicContact CG2-CB 3.95Å; V1043-P1197 HydrophobicContact CG2-CG 4.11Å; V1043-I1198 HydrophobicContact CG2-CD1 3.87Å; V1043-I1198 HydrophobicContact CG2-CG1 3.7Å |
| 1044 | R | 87.1 | Confident | 91.6 | Very high | 230 Ų | 230 | 32.8 Ų | 32.8 | 87% | 0.868 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -76.7 | -12.3 | -178 | -63.7 | -175.4 | -177.2 | 174.5 | 1.5 | 114.1 | Y1042 | Y1042-R1044 PolarHBondContact O-N 3.04Å; Y1042-R1044 VanDerWaalsContact O-N 3.15Å |
| 1045 | T | 90.1 | Very high | 91.4 | Very high | 87 Ų | 87 | 33.1 Ų | 33.1 | 53% | 0.534 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -104.2 | 15.3 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | Y1042 V1043 | Y1042-T1045 PolarHBondContact O-N 3.44Å; Y1042-T1045 VanDerWaalsContact O-N 3.1Å; Y1042-T1045 PolarHBondContact O-OG1 2.78Å; V1043-T1045 VanDerWaalsContact C-N 3.3Å; V1043-T1045 PolarHBondContact O-N 3.47Å |
| 1046 | F | 91.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -64.6 | 131 | 176.8 | -171.7 | -98.5 | 0 | 0 | 0 | 111.3 | W918 V1043 L1048 I1050 R1051 Y1054 I1198 | W918-F1046 AromaticContact CD2-CD2 3.88Å; W918-F1046 HydrophobicContact CD2-CD2 3.88Å; W918-F1046 HydrophobicContact CD2-CE2 4.47Å; W918-F1046 AromaticContact CE2-CD2 3.74Å; W918-F1046 AromaticContact CE3-CD2 3.89Å; W918-F1046 HydrophobicContact CE3-CD2 3.89Å; W918-F1046 HydrophobicContact CE3-CE2 4.03Å; W918-F1046 AromaticContact CH2-CD2 3.72Å; W918-F1046 HydrophobicContact CH2-CD2 3.72Å; W918-F1046 HydrophobicContact CH2-CE2 4.03Å; W918-F1046 AromaticContact CZ2-CD2 3.69Å; W918-F1046 HydrophobicContact CZ2-CD2 3.69Å; W918-F1046 HydrophobicContact CZ2-CE2 4.45Å; W918-F1046 AromaticContact CZ3-CD2 3.8Å; W918-F1046 HydrophobicContact CZ3-CD2 3.8Å; W918-F1046 AromaticContact CZ3-CE2 3.78Å; W918-F1046 HydrophobicContact CZ3-CE2 3.78Å; V1043-F1046 WeakPolarHBondContact O-CB 3.36Å; V1043-F1046 PolarHBondContact O-N 3.32Å; F1046-L1048 PolarHBondContact O-N 3.3Å; F1046-I1050 HydrophobicContact CE1-CB 3.85Å; F1046-I1050 HydrophobicContact CE1-CG2 3.86Å; F1046-I1050 HydrophobicContact CZ-CB 4.03Å; F1046-I1050 HydrophobicContact CZ-CG2 3.71Å; F1046-R1051 HydrophobicContact CD1-CB 3.99Å; F1046-R1051 HydrophobicContact CD1-CG 4.11Å; F1046-R1051 HydrophobicContact CE1-CB 4.35Å; F1046-Y1054 HydrophobicContact CE1-CD2 4.12Å; F1046-Y1054 HydrophobicContact CE1-CE2 4.06Å; F1046-Y1054 HydrophobicContact CZ-CD2 4.25Å; F1046-Y1054 AromaticContact CZ-CE2 3.72Å; F1046-Y1054 HydrophobicContact CZ-CE2 3.72Å; F1046-I1198 HydrophobicContact CB-CG1 4.27Å; F1046-I1198 HydrophobicContact CD1-CG1 4.21Å; F1046-I1198 HydrophobicContact CD1-CG2 4.39Å; F1046-I1198 HydrophobicContact CD2-CD1 4.09Å; F1046-I1198 HydrophobicContact CD2-CG1 4.41Å; F1046-I1198 HydrophobicContact CE1-CG2 4.19Å; F1046-I1198 HydrophobicContact CE2-CD1 4.45Å; F1046-I1198 HydrophobicContact CG-CD1 4.23Å; F1046-I1198 HydrophobicContact CG-CG1 4.03Å |
| 1047 | P | 92.7 | Very high | 91 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | trans | -59.2 | 129 | -172.1 | -27.5 | 35 | 0 | 0 | 0 | 115 | V914 W918 Q1049 I1050 R1051 | V914-P1047 HydrophobicContact CG1-CB 3.45Å; V914-P1047 VanDerWaalsContact CG1-CB 3.45Å; V914-P1047 HydrophobicContact CG1-CG 4.02Å; W918-P1047 HydrophobicContact CB-CG 4.48Å; P1047-Q1049 VanDerWaalsContact C-N 3.3Å; P1047-Q1049 PolarHBondContact O-N 3.49Å; P1047-I1050 PolarHBondContact O-N 3.44Å; P1047-I1050 VanDerWaalsContact O-N 3.16Å; P1047-R1051 PolarHBondContact O-N 3.29Å | ||
| 1048 | L | 92.2 | Very high | 90.5 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 13% | 0.131 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -35.3 | -173.6 | -65.1 | 179.8 | 0 | 0 | 0 | 113.5 | F1046 I1050 R1051 W1052 L1202 E1206 Q1209 L1210 L1213 | F1046-L1048 PolarHBondContact O-N 3.3Å; L1048-I1050 VanDerWaalsContact C-N 3.3Å; L1048-I1050 PolarHBondContact O-N 3.12Å; L1048-R1051 PolarHBondContact O-N 3.39Å; L1048-W1052 WeakPolarHBondContact O-CB 3.45Å; L1048-W1052 PolarHBondContact O-N 2.87Å; L1048-L1202 HydrophobicContact CB-CD2 4.46Å; L1048-L1202 HydrophobicContact CD2-CD2 4.46Å; L1048-E1206 HydrophobicContact CD1-CB 4.25Å; L1048-E1206 HydrophobicContact CD2-CB 4.16Å; L1048-E1206 HydrophobicContact CD2-CG 4.15Å; L1048-Q1209 HydrophobicContact CD1-CB 3.69Å; L1048-L1210 HydrophobicContact CB-CD1 4.39Å; L1048-L1213 HydrophobicContact CB-CD1 4.4Å |
| 1049 | Q | 92.5 | Very high | 90 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 179.4 | -53.9 | 97.8 | -45 | 0 | 0 | 111.9 | L877 Y910 P1047 I1053 L1210 D1217 | L877-Q1049 HydrophobicContact CD1-CB 3.91Å; L877-Q1049 HydrophobicContact CD1-CG 4.44Å; L877-Q1049 HydrophobicContact CD2-CB 4.12Å; Y910-Q1049 HydrophobicContact CE1-CB 3.98Å; Y910-Q1049 WeakPolarHBondContact OH-CG 3.35Å; P1047-Q1049 VanDerWaalsContact C-N 3.3Å; P1047-Q1049 PolarHBondContact O-N 3.49Å; Q1049-I1053 WeakPolarHBondContact O-CG1 3.39Å; Q1049-I1053 PolarHBondContact O-N 3.46Å; Q1049-L1210 HydrophobicContact CB-CD1 4.19Å; Q1049-L1210 HydrophobicContact CG-CD1 3.74Å; Q1049-D1217 PolarHBondContact NE2-OD2 2.56Å |
| 1050 | I | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -81.8 | -33.9 | 178.5 | -52 | -55.5 | 0 | 0 | 0 | 110.7 | Y910 V914 F1046 P1047 L1048 W1052 I1053 Y1054 | Y910-I1050 HydrophobicContact CD1-CD1 3.6Å; Y910-I1050 HydrophobicContact CE1-CD1 3.82Å; V914-I1050 HydrophobicContact CB-CG1 4.36Å; V914-I1050 HydrophobicContact CG1-CG1 4.11Å; F1046-I1050 HydrophobicContact CE1-CB 3.85Å; F1046-I1050 HydrophobicContact CE1-CG2 3.86Å; F1046-I1050 HydrophobicContact CZ-CB 4.03Å; F1046-I1050 HydrophobicContact CZ-CG2 3.71Å; P1047-I1050 PolarHBondContact O-N 3.44Å; P1047-I1050 VanDerWaalsContact O-N 3.16Å; L1048-I1050 VanDerWaalsContact C-N 3.3Å; L1048-I1050 PolarHBondContact O-N 3.12Å; I1050-W1052 VanDerWaalsContact C-N 3.29Å; I1050-W1052 PolarHBondContact O-N 3.06Å; I1050-I1053 HydrophobicContact CD1-CD1 4.11Å; I1050-I1053 PolarHBondContact O-N 2.92Å; I1050-Y1054 HydrophobicContact CG2-CD1 4.41Å; I1050-Y1054 HydrophobicContact CG2-CD2 4.03Å; I1050-Y1054 HydrophobicContact CG2-CE1 3.92Å; I1050-Y1054 HydrophobicContact CG2-CE2 3.5Å; I1050-Y1054 HydrophobicContact CG2-CG 4.47Å; I1050-Y1054 VanDerWaalsContact CG2-CZ 3.46Å; I1050-Y1054 PolarHBondContact O-N 3.03Å |
| 1051 | R | 92 | Very high | 88.6 | Confident | 14 Ų | 14 | 43 Ų | 43 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57 | -43.4 | 173.9 | -147.7 | 174.5 | 89.3 | 61.2 | 1.1 | 111.2 | F1046 P1047 L1048 Y1054 S1055 P1197 I1198 S1200 P1201 L1202 E1206 | F1046-R1051 HydrophobicContact CD1-CB 3.99Å; F1046-R1051 HydrophobicContact CD1-CG 4.11Å; F1046-R1051 HydrophobicContact CE1-CB 4.35Å; P1047-R1051 PolarHBondContact O-N 3.29Å; L1048-R1051 PolarHBondContact O-N 3.39Å; R1051-Y1054 PolarHBondContact O-N 3.3Å; R1051-S1055 PolarHBondContact O-N 2.92Å; R1051-P1197 WeakPolarHBondContact CD-O 3.42Å; R1051-P1197 PolarHBondContact NH1-O 3.29Å; R1051-I1198 VanDerWaalsContact CG-O 3.29Å; R1051-I1198 WeakPolarHBondContact CG-O 3.31Å; R1051-S1200 PolarHBondContact NH1-O 3.47Å; R1051-S1200 PolarHBondContact NH1-OG 2.61Å; R1051-P1201 PolarHBondContact NH2-O 3.37Å; R1051-L1202 HydrophobicContact CB-CD1 4.4Å; R1051-E1206 IonicContact CZ-OE1 2.77Å; R1051-E1206 IonicContact NE-OE1 2.63Å; R1051-E1206 PolarHBondContact NE-OE1 3.04Å; R1051-E1206 VanDerWaalsContact NH2-CD 3.33Å; R1051-E1206 IonicContact NH2-OE1 3.1Å; R1051-E1206 PolarHBondContact NH2-OE1 3.3Å; R1051-E1206 IonicContact NH2-OE2 2.64Å; R1051-E1206 PolarHBondContact NH2-OE2 2.82Å |
| 1052 | W | 92.4 | Very high | 87.5 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -48.7 | 176.9 | -175.9 | 84 | 0 | 0 | 0 | 112.6 | L877 V881 L1048 I1050 Y1054 S1055 E1056 L1202 L1210 | L877-W1052 HydrophobicContact CB-CE3 3.75Å; L877-W1052 HydrophobicContact CB-CZ3 3.52Å; L877-W1052 HydrophobicContact CD1-CE3 3.96Å; V881-W1052 HydrophobicContact CB-CZ3 4.37Å; V881-W1052 HydrophobicContact CG2-CE3 4.18Å; V881-W1052 HydrophobicContact CG2-CH2 4.23Å; V881-W1052 HydrophobicContact CG2-CZ3 3.57Å; L1048-W1052 WeakPolarHBondContact O-CB 3.45Å; L1048-W1052 PolarHBondContact O-N 2.87Å; I1050-W1052 VanDerWaalsContact C-N 3.29Å; I1050-W1052 PolarHBondContact O-N 3.06Å; W1052-Y1054 VanDerWaalsContact C-N 3.26Å; W1052-Y1054 PolarHBondContact O-N 2.65Å; W1052-S1055 PolarHBondContact O-N 3.47Å; W1052-S1055 VanDerWaalsContact O-N 3.16Å; W1052-E1056 HydrophobicContact CD2-CG 3.99Å; W1052-E1056 HydrophobicContact CE3-CG 4.3Å; W1052-E1056 HydrophobicContact CH2-CG 3.99Å; W1052-E1056 HydrophobicContact CZ2-CG 3.65Å; W1052-E1056 HydrophobicContact CZ3-CG 4.3Å; W1052-E1056 PolarHBondContact O-N 3.48Å; W1052-L1202 HydrophobicContact CB-CD1 4.03Å; W1052-L1202 HydrophobicContact CB-CD2 4.15Å; W1052-L1210 HydrophobicContact CB-CD2 3.81Å; W1052-L1210 HydrophobicContact CD2-CD2 4.42Å; W1052-L1210 HydrophobicContact CG-CD2 3.75Å |
| 1053 | I | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.7 | -43.7 | 175.3 | -67.2 | 163 | 0 | 0 | 0 | 111 | L877 I880 V881 L884 L907 Q1049 I1050 L1057 | L877-I1053 HydrophobicContact CB-CG1 4.31Å; L877-I1053 HydrophobicContact CD2-CD1 3.93Å; I880-I1053 HydrophobicContact CB-CD1 4.37Å; I880-I1053 HydrophobicContact CD1-CD1 4.28Å; I880-I1053 HydrophobicContact CG2-CD1 3.83Å; I880-I1053 HydrophobicContact CG2-CG1 4.33Å; I880-I1053 HydrophobicContact CG2-CG2 4.16Å; V881-I1053 HydrophobicContact CG2-CB 4.18Å; V881-I1053 HydrophobicContact CG2-CG1 3.99Å; V881-I1053 HydrophobicContact CG2-CG2 4.05Å; L884-I1053 HydrophobicContact CD1-CG2 4.28Å; L907-I1053 HydrophobicContact CD1-CD1 4.34Å; L907-I1053 HydrophobicContact CD1-CG2 4.36Å; Q1049-I1053 WeakPolarHBondContact O-CG1 3.39Å; Q1049-I1053 PolarHBondContact O-N 3.46Å; I1050-I1053 HydrophobicContact CD1-CD1 4.11Å; I1050-I1053 PolarHBondContact O-N 2.92Å; I1053-L1057 HydrophobicContact CG2-CD1 3.86Å; I1053-L1057 WeakPolarHBondContact O-CB 3.33Å; I1053-L1057 VanDerWaalsContact O-CG 3.31Å; I1053-L1057 WeakPolarHBondContact O-CG 3.21Å; I1053-L1057 PolarHBondContact O-N 2.76Å; I1053-L1057 VanDerWaalsContact O-N 3.11Å |
| 1054 | Y | 90.5 | Very high | 85.1 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.9 | -34.9 | -179.4 | -65.3 | -17.6 | 0 | 0 | 0 | 113.3 | F1046 I1050 R1051 W1052 Q1058 L1073 V1074 I1198 | F1046-Y1054 HydrophobicContact CE1-CD2 4.12Å; F1046-Y1054 HydrophobicContact CE1-CE2 4.06Å; F1046-Y1054 HydrophobicContact CZ-CD2 4.25Å; F1046-Y1054 AromaticContact CZ-CE2 3.72Å; F1046-Y1054 HydrophobicContact CZ-CE2 3.72Å; I1050-Y1054 HydrophobicContact CG2-CD1 4.41Å; I1050-Y1054 HydrophobicContact CG2-CD2 4.03Å; I1050-Y1054 HydrophobicContact CG2-CE1 3.92Å; I1050-Y1054 HydrophobicContact CG2-CE2 3.5Å; I1050-Y1054 HydrophobicContact CG2-CG 4.47Å; I1050-Y1054 VanDerWaalsContact CG2-CZ 3.46Å; I1050-Y1054 PolarHBondContact O-N 3.03Å; R1051-Y1054 PolarHBondContact O-N 3.3Å; W1052-Y1054 VanDerWaalsContact C-N 3.26Å; W1052-Y1054 PolarHBondContact O-N 2.65Å; Y1054-Q1058 WeakPolarHBondContact O-CB 3.47Å; Y1054-Q1058 PolarHBondContact O-N 3.26Å; Y1054-L1073 HydrophobicContact CD1-CB 4.09Å; Y1054-L1073 HydrophobicContact CD1-CD1 4.12Å; Y1054-L1073 HydrophobicContact CE1-CB 3.74Å; Y1054-L1073 HydrophobicContact CE1-CD2 4.45Å; Y1054-L1073 HydrophobicContact CE1-CG 4.46Å; Y1054-L1073 PolarHBondContact OH-O 3.11Å; Y1054-V1074 HydrophobicContact CD2-CG2 3.92Å; Y1054-V1074 HydrophobicContact CE2-CG2 3.6Å; Y1054-I1198 HydrophobicContact CD2-CG2 3.67Å; Y1054-I1198 HydrophobicContact CE2-CG2 4.25Å |
| 1055 | S | 88.2 | Confident | 84.2 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -50.9 | 171 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | R1051 W1052 L1057 Q1058 A1059 P1201 | R1051-S1055 PolarHBondContact O-N 2.92Å; W1052-S1055 PolarHBondContact O-N 3.47Å; W1052-S1055 VanDerWaalsContact O-N 3.16Å; S1055-L1057 PolarHBondContact O-N 2.6Å; S1055-Q1058 PolarHBondContact O-N 3.28Å; S1055-Q1058 VanDerWaalsContact O-N 3.1Å; S1055-A1059 PolarHBondContact O-N 2.9Å; S1055-A1059 VanDerWaalsContact O-N 3.1Å; S1055-P1201 WeakPolarHBondContact OG-CA 3.38Å |
| 1056 | E | 88.6 | Confident | 83.4 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.5 | -30.3 | -179.2 | -78.2 | -62.1 | 110 | 0 | 0 | 113.7 | V881 R885 W1052 | V881-E1056 HydrophobicContact CG1-CB 3.92Å; V881-E1056 HydrophobicContact CG2-CB 4.01Å; R885-E1056 IonicContact CZ-OE2 3.53Å; R885-E1056 IonicContact NH1-OE2 3.48Å; R885-E1056 PolarHBondContact NH2-O 3.42Å; R885-E1056 IonicContact NH2-OE2 2.69Å; R885-E1056 PolarHBondContact NH2-OE2 3.04Å; W1052-E1056 HydrophobicContact CD2-CG 3.99Å; W1052-E1056 HydrophobicContact CE3-CG 4.3Å; W1052-E1056 HydrophobicContact CH2-CG 3.99Å; W1052-E1056 HydrophobicContact CZ2-CG 3.65Å; W1052-E1056 HydrophobicContact CZ3-CG 4.3Å; W1052-E1056 PolarHBondContact O-N 3.48Å |
| 1057 | L | 86.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -84.6 | -31.3 | 174.1 | -67.3 | 172.4 | 0 | 0 | 0 | 112.7 | L884 R885 I1053 S1055 A1059 L1060 Y1061 L1073 | L884-L1057 HydrophobicContact CB-CD1 3.95Å; L884-L1057 HydrophobicContact CB-CD2 3.87Å; L884-L1057 HydrophobicContact CD1-CD1 3.72Å; L884-L1057 HydrophobicContact CG-CD1 4.45Å; R885-L1057 HydrophobicContact CG-CD2 4.29Å; I1053-L1057 HydrophobicContact CG2-CD1 3.86Å; I1053-L1057 WeakPolarHBondContact O-CB 3.33Å; I1053-L1057 VanDerWaalsContact O-CG 3.31Å; I1053-L1057 WeakPolarHBondContact O-CG 3.21Å; I1053-L1057 PolarHBondContact O-N 2.76Å; I1053-L1057 VanDerWaalsContact O-N 3.11Å; S1055-L1057 PolarHBondContact O-N 2.6Å; L1057-A1059 VanDerWaalsContact C-N 3.34Å; L1057-L1060 HydrophobicContact CD2-CD1 4.02Å; L1057-Y1061 WeakPolarHBondContact O-CD2 3.29Å; L1057-L1073 HydrophobicContact CB-CD1 4.21Å; L1057-L1073 HydrophobicContact CD1-CD1 3.93Å; L1057-L1073 HydrophobicContact CD1-CD2 4.25Å |
| 1058 | Q | 82 | Confident | 81.7 | Confident | 44 Ų | 44 | 40 Ų | 40 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 175.6 | -165 | -168.2 | -2.8 | 0 | 0 | 111.5 | Y1054 S1055 L1060 Y1061 T1199 | Y1054-Q1058 WeakPolarHBondContact O-CB 3.47Å; Y1054-Q1058 PolarHBondContact O-N 3.26Å; S1055-Q1058 PolarHBondContact O-N 3.28Å; S1055-Q1058 VanDerWaalsContact O-N 3.1Å; Q1058-L1060 PolarHBondContact O-N 3.04Å; Q1058-Y1061 PolarHBondContact O-N 3.24Å; Q1058-Y1061 VanDerWaalsContact O-N 3.1Å; Q1058-T1199 PolarHBondContact OE1-O 3.22Å; Q1058-T1199 VanDerWaalsContact OE1-O 3.09Å; Q1058-T1199 PolarHBondContact OE1-OG1 2.53Å |
| 1059 | A | 81.3 | Confident | 80.9 | Confident | 83 Ų | 83 | 38.8 Ų | 38.8 | 69% | 0.686 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1055 L1057 | S1055-A1059 PolarHBondContact O-N 2.9Å; S1055-A1059 VanDerWaalsContact O-N 3.1Å; L1057-A1059 VanDerWaalsContact C-N 3.34Å |
| 1060 | L | 79.8 | Confident | 80.3 | Confident | 75 Ų | 75 | 38.6 Ų | 38.6 | 39% | 0.393 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.3 | -178.8 | -54.6 | 169.8 | 0 | 0 | 0 | 113.8 | R885 V888 L1057 Q1058 | R885-L1060 HydrophobicContact CG-CD1 3.58Å; V888-L1060 HydrophobicContact CG2-CD1 4.11Å; L1057-L1060 HydrophobicContact CD2-CD1 4.02Å; Q1058-L1060 PolarHBondContact O-N 3.04Å |
| 1061 | Y | 74.6 | Confident | 79.7 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 9% | 0.09 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -116.7 | 146.5 | -171.4 | -67.8 | -88.4 | 0 | 0 | 0 | 112.6 | V888 P893 S896 F897 L1057 Q1058 V1069 | V888-Y1061 HydrophobicContact CG1-CE1 3.99Å; V888-Y1061 HydrophobicContact CG1-CE2 4.32Å; V888-Y1061 HydrophobicContact CG2-CE2 4.19Å; P893-Y1061 HydrophobicContact CB-CD1 4.26Å; P893-Y1061 HydrophobicContact CB-CE1 3.93Å; S896-Y1061 WeakPolarHBondContact CB-OH 3.36Å; S896-Y1061 PolarHBondContact OG-OH 3.38Å; F897-Y1061 HydrophobicContact CE2-CE2 4.38Å; L1057-Y1061 WeakPolarHBondContact O-CD2 3.29Å; Q1058-Y1061 PolarHBondContact O-N 3.24Å; Q1058-Y1061 VanDerWaalsContact O-N 3.1Å; Y1061-V1069 HydrophobicContact CD1-CG2 3.92Å; Y1061-V1069 HydrophobicContact CD2-CB 4.33Å; Y1061-V1069 HydrophobicContact CD2-CG1 4.07Å; Y1061-V1069 HydrophobicContact CD2-CG2 3.79Å; Y1061-V1069 HydrophobicContact CE1-CG2 3.67Å; Y1061-V1069 HydrophobicContact CE2-CB 4.2Å; Y1061-V1069 HydrophobicContact CE2-CG1 3.73Å; Y1061-V1069 HydrophobicContact CE2-CG2 3.54Å; Y1061-V1069 HydrophobicContact CG-CG2 3.95Å; Y1061-V1069 VanDerWaalsContact CZ-CG2 3.43Å |
| 1062 | S | 69 | Low | 79.4 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | trans | -60.4 | 150 | 170.3 | 85 | 0 | 0 | 0 | 0 | 110.9 | N1064 H1065 S1066 | S1062-N1064 PolarHBondContact O-N 2.97Å; S1062-N1064 VanDerWaalsContact O-N 3.09Å; S1062-H1065 PolarHBondContact O-N 3.18Å; S1062-H1065 PolarHBondContact OG-CD2 3.1Å; S1062-S1066 PolarHBondContact O-N 3.1Å | ||
| 1063 | P | 67.4 | Low | 79.1 | Confident | 100 Ų | 100 | 35.6 Ų | 35.6 | 65% | 0.649 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -54.8 | -36 | -175.1 | 18.5 | -31.7 | 0 | 0 | 0 | 112.8 | H1065 S1066 | P1063-H1065 VanDerWaalsContact C-N 3.3Å; P1063-H1065 PolarHBondContact O-N 3.09Å; P1063-S1066 PolarHBondContact O-N 3.27Å; P1063-S1066 PolarHBondContact O-OG 3.11Å |
| 1064 | N | 64.6 | Low | 78.8 | Confident | 128 Ų | 128 | 35.8 Ų | 35.8 | 68% | 0.684 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -62.1 | -31.8 | 179.8 | -61.5 | 2 | 0 | 0 | 0 | 113.4 | S1062 | S1062-N1064 PolarHBondContact O-N 2.97Å; S1062-N1064 VanDerWaalsContact O-N 3.09Å |
| 1065 | H | 69.5 | Low | 78.7 | Confident | 81 Ų | 81 | 35.9 Ų | 35.9 | 38% | 0.375 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -97.9 | -21.2 | 179.2 | -59.5 | -45.4 | 0 | 0 | 0 | 113.2 | P893 S1062 P1063 N1067 V1068 | P893-H1065 HydrophobicContact CB-CB 4.07Å; P893-H1065 HydrophobicContact CG-CB 3.86Å; S1062-H1065 PolarHBondContact O-N 3.18Å; S1062-H1065 PolarHBondContact OG-CD2 3.1Å; P1063-H1065 VanDerWaalsContact C-N 3.3Å; P1063-H1065 PolarHBondContact O-N 3.09Å; H1065-N1067 PolarHBondContact O-N 3.32Å; H1065-N1067 VanDerWaalsContact O-N 3.1Å; H1065-V1068 PolarHBondContact O-N 3.38Å |
| 1066 | S | 72.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.6 | -33.1 | -177.9 | 74.5 | 0 | 0 | 0 | 0 | 114 | S1062 P1063 V1068 V1070 R1195 | S1062-S1066 PolarHBondContact O-N 3.1Å; P1063-S1066 PolarHBondContact O-N 3.27Å; P1063-S1066 PolarHBondContact O-OG 3.11Å; S1066-V1068 PolarHBondContact O-N 3.41Å; S1066-V1070 WeakPolarHBondContact O-CG2 3.05Å; S1066-V1070 PolarHBondContact O-N 2.95Å; S1066-V1070 VanDerWaalsContact O-N 3.17Å; S1066-R1195 PolarHBondContact OG-NH2 3.18Å |
| 1067 | N | 73 | Confident | 78.4 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.8 | -48.2 | 174.7 | -72.6 | -19.8 | 0 | 0 | 0 | 111.8 | H1065 V1069 V1070 C1071 R1195 | H1065-N1067 PolarHBondContact O-N 3.32Å; H1065-N1067 VanDerWaalsContact O-N 3.1Å; N1067-V1069 PolarHBondContact O-N 2.97Å; N1067-V1070 PolarHBondContact O-N 3.4Å; N1067-C1071 PolarHBondContact O-N 2.93Å; N1067-C1071 PolarHBondContact O-SG 2.69Å; N1067-R1195 PolarHBondContact OD1-NE 3.05Å; N1067-R1195 VanDerWaalsContact OD1-NE 3.08Å; N1067-R1195 PolarHBondContact OD1-NH2 2.95Å |
| 1068 | V | 75.5 | Confident | 78.3 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -39.9 | -172.3 | -161.2 | 0 | 0 | 0 | 0 | 112 | H1065 S1066 C1071 N1072 L1166 | H1065-V1068 PolarHBondContact O-N 3.38Å; S1066-V1068 PolarHBondContact O-N 3.41Å; V1068-C1071 WeakPolarHBondContact O-CB 3.18Å; V1068-C1071 PolarHBondContact O-N 2.92Å; V1068-N1072 PolarHBondContact O-N 3.46Å; V1068-L1166 HydrophobicContact CG2-CB 4.33Å; V1068-L1166 HydrophobicContact CG2-CD1 3.46Å; V1068-L1166 VanDerWaalsContact CG2-CD1 3.46Å; V1068-L1166 HydrophobicContact CG2-CG 3.63Å |
| 1069 | V | 77.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 109.9 | P893 F897 Y1061 N1067 C1071 N1072 L1073 | P893-V1069 HydrophobicContact CB-CG2 4.46Å; F897-V1069 HydrophobicContact CD2-CG1 4.17Å; F897-V1069 HydrophobicContact CE2-CG1 3.76Å; Y1061-V1069 HydrophobicContact CD1-CG2 3.92Å; Y1061-V1069 HydrophobicContact CD2-CB 4.33Å; Y1061-V1069 HydrophobicContact CD2-CG1 4.07Å; Y1061-V1069 HydrophobicContact CD2-CG2 3.79Å; Y1061-V1069 HydrophobicContact CE1-CG2 3.67Å; Y1061-V1069 HydrophobicContact CE2-CB 4.2Å; Y1061-V1069 HydrophobicContact CE2-CG1 3.73Å; Y1061-V1069 HydrophobicContact CE2-CG2 3.54Å; Y1061-V1069 HydrophobicContact CG-CG2 3.95Å; Y1061-V1069 VanDerWaalsContact CZ-CG2 3.43Å; N1067-V1069 PolarHBondContact O-N 2.97Å; V1069-C1071 VanDerWaalsContact C-N 3.31Å; V1069-C1071 PolarHBondContact O-N 3.25Å; V1069-N1072 PolarHBondContact O-N 2.91Å; V1069-L1073 HydrophobicContact CG1-CD1 3.81Å; V1069-L1073 HydrophobicContact CG1-CG 4.49Å; V1069-L1073 WeakPolarHBondContact O-CG 3.25Å; V1069-L1073 PolarHBondContact O-N 3.41Å |
| 1070 | V | 79.2 | Confident | 78.8 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | S1066 N1067 V1074 R1195 T1199 | S1066-V1070 WeakPolarHBondContact O-CG2 3.05Å; S1066-V1070 PolarHBondContact O-N 2.95Å; S1066-V1070 VanDerWaalsContact O-N 3.17Å; N1067-V1070 PolarHBondContact O-N 3.4Å; V1070-V1074 HydrophobicContact CG1-CG2 3.79Å; V1070-V1074 VanDerWaalsContact O-CB 3.3Å; V1070-V1074 WeakPolarHBondContact O-CB 3.39Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.48Å; V1070-V1074 PolarHBondContact O-N 3.16Å; V1070-R1195 HydrophobicContact CG1-CG 4.23Å; V1070-T1199 HydrophobicContact CB-CG2 4.41Å; V1070-T1199 HydrophobicContact CG1-CG2 3.72Å; V1070-T1199 HydrophobicContact CG2-CG2 3.71Å |
| 1071 | C | 79.7 | Confident | 79.1 | Confident | 7 Ų | 7 | 30 Ų | 30 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -61.3 | -49 | 171.8 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | N1067 V1068 V1069 F1075 L1076 V1164 | N1067-C1071 PolarHBondContact O-N 2.93Å; N1067-C1071 PolarHBondContact O-SG 2.69Å; V1068-C1071 WeakPolarHBondContact O-CB 3.18Å; V1068-C1071 PolarHBondContact O-N 2.92Å; V1069-C1071 VanDerWaalsContact C-N 3.31Å; V1069-C1071 PolarHBondContact O-N 3.25Å; C1071-F1075 WeakPolarHBondContact O-CA 3.31Å; C1071-F1075 WeakPolarHBondContact O-CB 3.18Å; C1071-F1075 PolarHBondContact O-N 3.15Å; C1071-L1076 PolarHBondContact O-N 3.29Å; C1071-L1076 VanDerWaalsContact O-N 3.09Å; C1071-V1164 VanDerWaalsContact SG-C 3.6Å; C1071-V1164 VanDerWaalsContact SG-CB 3.51Å; C1071-V1164 WeakPolarHBondContact SG-CG1 3.25Å; C1071-V1164 PolarHBondContact SG-O 2.69Å |
| 1072 | N | 84.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -65.1 | -42.2 | -179.9 | -71.6 | -11.8 | 0 | 0 | 0 | 110.3 | S894 S896 F897 R898 V1068 V1069 L1076 R1077 | S894-N1072 PolarHBondContact O-ND2 2.79Å; S896-N1072 PolarHBondContact O-ND2 2.84Å; F897-N1072 HydrophobicContact CB-CB 4.37Å; R898-N1072 PolarHBondContact NE-ND2 3.17Å; R898-N1072 PolarHBondContact NE-OD1 3.03Å; R898-N1072 VanDerWaalsContact NE-OD1 3.15Å; R898-N1072 PolarHBondContact NH2-OD1 2.88Å; R898-N1072 VanDerWaalsContact NH2-OD1 3.08Å; V1068-N1072 PolarHBondContact O-N 3.46Å; V1069-N1072 PolarHBondContact O-N 2.91Å; N1072-L1076 WeakPolarHBondContact O-CB 3.31Å; N1072-R1077 WeakPolarHBondContact O-CG 3.34Å; N1072-R1077 PolarHBondContact O-N 3.41Å |
| 1073 | L | 86 | Confident | 80.2 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -69.3 | -51.4 | 179.3 | -69.7 | 171.4 | 0 | 0 | 0 | 113.5 | F897 L907 Y1054 L1057 V1069 G1078 | F897-L1073 HydrophobicContact CB-CD2 4.14Å; F897-L1073 HydrophobicContact CD1-CD2 4.16Å; F897-L1073 HydrophobicContact CD2-CD1 4.45Å; F897-L1073 HydrophobicContact CD2-CD2 4Å; F897-L1073 HydrophobicContact CD2-CG 4.04Å; F897-L1073 HydrophobicContact CG-CD2 3.79Å; F897-L1073 HydrophobicContact CG-CG 4.3Å; L907-L1073 HydrophobicContact CD2-CD2 3.89Å; Y1054-L1073 HydrophobicContact CD1-CB 4.09Å; Y1054-L1073 HydrophobicContact CD1-CD1 4.12Å; Y1054-L1073 HydrophobicContact CE1-CB 3.74Å; Y1054-L1073 HydrophobicContact CE1-CD2 4.45Å; Y1054-L1073 HydrophobicContact CE1-CG 4.46Å; Y1054-L1073 PolarHBondContact OH-O 3.11Å; L1057-L1073 HydrophobicContact CB-CD1 4.21Å; L1057-L1073 HydrophobicContact CD1-CD1 3.93Å; L1057-L1073 HydrophobicContact CD1-CD2 4.25Å; V1069-L1073 HydrophobicContact CG1-CD1 3.81Å; V1069-L1073 HydrophobicContact CG1-CG 4.49Å; V1069-L1073 WeakPolarHBondContact O-CG 3.25Å; V1069-L1073 PolarHBondContact O-N 3.41Å; L1073-G1078 PolarHBondContact O-N 3.1Å |
| 1074 | V | 86.6 | Confident | 81 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -82.4 | -48.2 | -172.6 | -177.5 | 0 | 0 | 0 | 0 | 112 | Y1054 V1070 G1078 L1079 F1194 I1198 | Y1054-V1074 HydrophobicContact CD2-CG2 3.92Å; Y1054-V1074 HydrophobicContact CE2-CG2 3.6Å; V1070-V1074 HydrophobicContact CG1-CG2 3.79Å; V1070-V1074 VanDerWaalsContact O-CB 3.3Å; V1070-V1074 WeakPolarHBondContact O-CB 3.39Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.48Å; V1070-V1074 PolarHBondContact O-N 3.16Å; V1074-G1078 CarbonylContact O-C 3.58Å; V1074-G1078 WeakPolarHBondContact O-CA 3.22Å; V1074-G1078 PolarHBondContact O-N 3.21Å; V1074-L1079 HydrophobicContact CG1-CD1 4.03Å; V1074-L1079 HydrophobicContact CG1-CG 4.44Å; V1074-L1079 PolarHBondContact O-N 3.14Å; V1074-F1194 HydrophobicContact CG1-CE1 3.96Å; V1074-F1194 HydrophobicContact CG1-CZ 4.26Å; V1074-I1198 HydrophobicContact CG2-CG2 4.12Å |
| 1075 | F | 87.7 | Confident | 81.5 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -91.4 | -51.8 | -171.3 | -69.1 | -94.8 | 0 | 0 | 0 | 112.2 | C1071 R1077 L1079 C1080 L1160 L1161 V1164 L1190 F1194 | C1071-F1075 WeakPolarHBondContact O-CA 3.31Å; C1071-F1075 WeakPolarHBondContact O-CB 3.18Å; C1071-F1075 PolarHBondContact O-N 3.15Å; F1075-R1077 PolarHBondContact O-N 3.38Å; F1075-L1079 HydrophobicContact CD1-CD1 3.8Å; F1075-L1079 HydrophobicContact CE1-CD1 3.68Å; F1075-L1079 HydrophobicContact CG-CD1 4.36Å; F1075-L1079 HydrophobicContact CZ-CD1 4.14Å; F1075-C1080 VanDerWaalsContact O-CB 3.25Å; F1075-C1080 WeakPolarHBondContact O-CB 3.36Å; F1075-C1080 PolarHBondContact O-N 3.24Å; F1075-C1080 PolarHBondContact O-SG 2.95Å; F1075-C1080 VanDerWaalsContact O-SG 3.41Å; F1075-L1160 HydrophobicContact CD1-CB 4.36Å; F1075-L1161 HydrophobicContact CB-CD1 3.99Å; F1075-V1164 HydrophobicContact CD1-CG2 4.33Å; F1075-V1164 HydrophobicContact CD2-CG2 4.09Å; F1075-V1164 HydrophobicContact CE1-CG2 4.09Å; F1075-V1164 HydrophobicContact CE2-CG1 4.47Å; F1075-V1164 HydrophobicContact CE2-CG2 3.83Å; F1075-V1164 HydrophobicContact CG-CG2 4.34Å; F1075-V1164 HydrophobicContact CZ-CG2 3.84Å; F1075-L1190 HydrophobicContact CZ-CD2 4.38Å; F1075-F1194 HydrophobicContact CE1-CE1 4.48Å; F1075-F1194 HydrophobicContact CE2-CD1 4.25Å; F1075-F1194 AromaticContact CE2-CE1 3.84Å; F1075-F1194 HydrophobicContact CE2-CE1 3.84Å; F1075-F1194 AromaticContact CZ-CD1 3.86Å; F1075-F1194 HydrophobicContact CZ-CD1 3.86Å; F1075-F1194 AromaticContact CZ-CE1 3.51Å; F1075-F1194 HydrophobicContact CZ-CE1 3.51Å |
| 1076 | L | 84.9 | Confident | 81.7 | Confident | 58 Ų | 58 | 22 Ų | 22 | 30% | 0.304 | 12% | 0.121 | S | C | . | . | I | π-helix | trans | -67.1 | -35.8 | -176.3 | -175.8 | 65 | 0 | 0 | 0 | 112.7 | R898 C1071 N1072 P1081 L1161 | R898-L1076 HydrophobicContact CG-CD2 3.88Å; C1071-L1076 PolarHBondContact O-N 3.29Å; C1071-L1076 VanDerWaalsContact O-N 3.09Å; N1072-L1076 WeakPolarHBondContact O-CB 3.31Å; L1076-P1081 WeakPolarHBondContact O-CD 3.36Å; L1076-P1081 WeakPolarHBondContact O-CG 3.29Å; L1076-L1161 HydrophobicContact CB-CD1 4.02Å; L1076-L1161 HydrophobicContact CD1-CD1 4.32Å; L1076-L1161 HydrophobicContact CD1-CD2 4.05Å |
| 1077 | R | 85.6 | Confident | 81.3 | Confident | 25 Ų | 25 | 22.8 Ų | 22.8 | 9% | 0.094 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -101.8 | -44.2 | 178.6 | -56.6 | -165.2 | 84.8 | 92.8 | 7.5 | 114.1 | F897 G899 A904 D908 N1072 F1075 P1081 | F897-R1077 PolarHBondContact O-NH1 3.31Å; G899-R1077 PolarHBondContact O-NH1 3.05Å; A904-R1077 PolarHBondContact O-NH2 2.69Å; D908-R1077 IonicContact OD1-CZ 2.87Å; D908-R1077 IonicContact OD1-NE 2.81Å; D908-R1077 PolarHBondContact OD1-NE 3.03Å; D908-R1077 IonicContact OD1-NH2 2.73Å; D908-R1077 PolarHBondContact OD1-NH2 3.42Å; D908-R1077 IonicContact OD2-CZ 2.98Å; D908-R1077 IonicContact OD2-NE 3.65Å; D908-R1077 PolarHBondContact OD2-NE 3.03Å; D908-R1077 IonicContact OD2-NH2 3.51Å; D908-R1077 PolarHBondContact OD2-NH2 2.91Å; N1072-R1077 WeakPolarHBondContact O-CG 3.34Å; N1072-R1077 PolarHBondContact O-N 3.41Å; F1075-R1077 PolarHBondContact O-N 3.38Å; R1077-P1081 WeakPolarHBondContact O-CG 3.22Å |
| 1078 | G | 83.8 | Confident | 80.3 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -77.8 | -57 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | R919 L1073 V1074 | R919-G1078 PolarHBondContact NE-O 3.08Å; R919-G1078 VanDerWaalsContact NE-O 3.13Å; R919-G1078 PolarHBondContact NH1-O 3.4Å; L1073-G1078 PolarHBondContact O-N 3.1Å; V1074-G1078 CarbonylContact O-C 3.58Å; V1074-G1078 WeakPolarHBondContact O-CA 3.22Å; V1074-G1078 PolarHBondContact O-N 3.21Å |
| 1079 | L | 87.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -94.9 | -56.5 | -167.2 | -67.2 | 173.6 | 0 | 0 | 0 | 114 | W918 R919 F923 L1039 V1074 F1075 V1082 F1194 | W918-L1079 HydrophobicContact CH2-CD2 4.18Å; W918-L1079 HydrophobicContact CZ3-CD2 3.77Å; R919-L1079 HydrophobicContact CG-CD2 4.46Å; F923-L1079 HydrophobicContact CE2-CD2 3.88Å; F923-L1079 HydrophobicContact CZ-CB 4.27Å; F923-L1079 HydrophobicContact CZ-CD2 3.92Å; L1039-L1079 HydrophobicContact CD1-CD1 4.22Å; L1039-L1079 HydrophobicContact CD2-CD1 3.95Å; L1039-L1079 HydrophobicContact CD2-CD2 4.02Å; V1074-L1079 HydrophobicContact CG1-CD1 4.03Å; V1074-L1079 HydrophobicContact CG1-CG 4.44Å; V1074-L1079 PolarHBondContact O-N 3.14Å; F1075-L1079 HydrophobicContact CD1-CD1 3.8Å; F1075-L1079 HydrophobicContact CE1-CD1 3.68Å; F1075-L1079 HydrophobicContact CG-CD1 4.36Å; F1075-L1079 HydrophobicContact CZ-CD1 4.14Å; L1079-V1082 PolarHBondContact O-N 3.12Å; L1079-V1082 VanDerWaalsContact O-N 3.16Å; L1079-F1194 HydrophobicContact CD1-CE1 4.41Å; L1079-F1194 HydrophobicContact CD1-CZ 4.14Å |
| 1080 | C | 86.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -34.7 | -170.7 | -63.2 | 0 | 0 | 0 | 0 | 114 | F1075 V1082 L1083 Y1084 A1157 | F1075-C1080 VanDerWaalsContact O-CB 3.25Å; F1075-C1080 WeakPolarHBondContact O-CB 3.36Å; F1075-C1080 PolarHBondContact O-N 3.24Å; F1075-C1080 PolarHBondContact O-SG 2.95Å; F1075-C1080 VanDerWaalsContact O-SG 3.41Å; C1080-V1082 PolarHBondContact O-N 2.84Å; C1080-L1083 PolarHBondContact O-N 2.9Å; C1080-L1083 VanDerWaalsContact O-N 3.16Å; C1080-Y1084 HydrophobicContact CB-CD2 4.28Å; C1080-Y1084 HydrophobicContact CB-CE2 3.99Å; C1080-Y1084 WeakPolarHBondContact O-CD2 3.32Å; C1080-Y1084 PolarHBondContact O-N 3.44Å; C1080-A1157 HydrophobicContact CB-CB 4.29Å; C1080-A1157 PolarHBondContact SG-O 3.33Å |
| 1081 | P | 85.6 | Confident | 74.5 | Confident | 56 Ų | 56 | 33.6 Ų | 33.6 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.6 | -28.5 | 175.3 | -29.7 | 39.9 | 0 | 0 | 0 | 114.5 | L1076 R1077 S1085 | L1076-P1081 WeakPolarHBondContact O-CD 3.36Å; L1076-P1081 WeakPolarHBondContact O-CG 3.29Å; R1077-P1081 WeakPolarHBondContact O-CG 3.22Å; P1081-S1085 PolarHBondContact O-N 3.46Å; P1081-S1085 PolarHBondContact O-OG 3.03Å |
| 1082 | V | 83.6 | Confident | 72 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71 | -44.8 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | L1079 C1080 Y1084 S1085 L1086 | L1079-V1082 PolarHBondContact O-N 3.12Å; L1079-V1082 VanDerWaalsContact O-N 3.16Å; C1080-V1082 PolarHBondContact O-N 2.84Å; V1082-Y1084 VanDerWaalsContact C-N 3.31Å; V1082-Y1084 PolarHBondContact O-N 2.96Å; V1082-S1085 PolarHBondContact O-N 2.87Å; V1082-S1085 PolarHBondContact O-OG 3.37Å; V1082-L1086 HydrophobicContact CG1-CD1 3.96Å; V1082-L1086 WeakPolarHBondContact O-CD1 3.4Å; V1082-L1086 PolarHBondContact O-N 2.9Å; V1082-L1086 VanDerWaalsContact O-N 3.07Å |
| 1083 | L | 84 | Confident | 69.1 | Low | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 175.2 | -65.5 | 174.7 | 0 | 0 | 0 | 111.8 | F923 C1080 L1086 S1087 F1153 I1156 A1157 L1160 | F923-L1083 HydrophobicContact CD1-CD2 3.98Å; F923-L1083 HydrophobicContact CD2-CD2 4.28Å; F923-L1083 HydrophobicContact CE1-CD1 4Å; F923-L1083 HydrophobicContact CE1-CD2 4.12Å; F923-L1083 HydrophobicContact CE1-CG 4.3Å; F923-L1083 HydrophobicContact CE2-CD2 4.39Å; F923-L1083 HydrophobicContact CE2-CG 4.27Å; F923-L1083 HydrophobicContact CG-CD2 4.07Å; F923-L1083 HydrophobicContact CZ-CD1 3.98Å; F923-L1083 HydrophobicContact CZ-CD2 4.31Å; F923-L1083 HydrophobicContact CZ-CG 4.1Å; C1080-L1083 PolarHBondContact O-N 2.9Å; C1080-L1083 VanDerWaalsContact O-N 3.16Å; L1083-L1086 PolarHBondContact O-N 3.21Å; L1083-S1087 PolarHBondContact O-N 2.94Å; L1083-S1087 VanDerWaalsContact O-N 3.07Å; L1083-F1153 HydrophobicContact CD2-CD1 4.44Å; L1083-F1153 WeakPolarHBondContact O-CB 3.19Å; L1083-I1156 HydrophobicContact CD1-CG2 4.1Å; L1083-A1157 HydrophobicContact CB-CB 3.78Å; L1083-A1157 HydrophobicContact CD1-CB 4.11Å; L1083-L1160 HydrophobicContact CD1-CD1 3.94Å |
| 1084 | Y | 83.6 | Confident | 66.1 | Low | 87 Ų | 87 | 47.6 Ų | 47.6 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.5 | -31.9 | 174.5 | -70 | -54.7 | 0 | 0 | 0 | 113.6 | C1080 V1082 S1087 S1088 A1154 A1157 K1158 | C1080-Y1084 HydrophobicContact CB-CD2 4.28Å; C1080-Y1084 HydrophobicContact CB-CE2 3.99Å; C1080-Y1084 WeakPolarHBondContact O-CD2 3.32Å; C1080-Y1084 PolarHBondContact O-N 3.44Å; V1082-Y1084 VanDerWaalsContact C-N 3.31Å; V1082-Y1084 PolarHBondContact O-N 2.96Å; Y1084-S1087 WeakPolarHBondContact O-CB 3.4Å; Y1084-S1087 PolarHBondContact O-N 2.92Å; Y1084-S1088 PolarHBondContact O-N 3.26Å; Y1084-A1154 HydrophobicContact CD1-CB 4.42Å; Y1084-A1154 HydrophobicContact CE1-CB 4.38Å; Y1084-A1157 HydrophobicContact CD1-CB 4.04Å; Y1084-A1157 HydrophobicContact CD2-CB 4.23Å; Y1084-A1157 HydrophobicContact CE1-CB 3.65Å; Y1084-A1157 HydrophobicContact CE2-CB 3.86Å; Y1084-A1157 HydrophobicContact CG-CB 4.3Å; Y1084-K1158 WeakPolarHBondContact OH-CG 3.29Å |
| 1085 | S | 75.2 | Confident | 63.1 | Low | 63 Ų | 63 | 52.6 Ų | 52.6 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.8 | -30.9 | 176 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | P1081 V1082 S1087 S1088 | P1081-S1085 PolarHBondContact O-N 3.46Å; P1081-S1085 PolarHBondContact O-OG 3.03Å; V1082-S1085 PolarHBondContact O-N 2.87Å; V1082-S1085 PolarHBondContact O-OG 3.37Å; S1085-S1087 VanDerWaalsContact C-N 3.29Å; S1085-S1088 PolarHBondContact O-OG 3.08Å |
| 1086 | L | 74 | Confident | 60 | Low | 33 Ų | 33 | 61.8 Ų | 61.8 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.3 | -33.6 | 165.1 | -85 | 82.7 | 0 | 0 | 0 | 111.8 | C927 V1082 L1083 F1153 | C927-L1086 WeakPolarHBondContact SG-CD2 3.41Å; V1082-L1086 HydrophobicContact CG1-CD1 3.96Å; V1082-L1086 WeakPolarHBondContact O-CD1 3.4Å; V1082-L1086 PolarHBondContact O-N 2.9Å; V1082-L1086 VanDerWaalsContact O-N 3.07Å; L1083-L1086 PolarHBondContact O-N 3.21Å; L1086-F1153 HydrophobicContact CB-CD2 3.7Å; L1086-F1153 HydrophobicContact CB-CE2 3.94Å; L1086-F1153 HydrophobicContact CB-CG 4.23Å; L1086-F1153 HydrophobicContact CD2-CD2 4.46Å; L1086-F1153 HydrophobicContact CD2-CE1 4.39Å; L1086-F1153 HydrophobicContact CD2-CE2 3.99Å; L1086-F1153 HydrophobicContact CD2-CZ 3.95Å |
| 1087 | S | 63.9 | Low | 57.2 | Low | 18 Ų | 18 | 62.6 Ų | 62.6 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | 174.9 | 158.9 | 0 | 0 | 0 | 0 | 113.4 | L1083 Y1084 S1085 L1089 S1150 | L1083-S1087 PolarHBondContact O-N 2.94Å; L1083-S1087 VanDerWaalsContact O-N 3.07Å; Y1084-S1087 WeakPolarHBondContact O-CB 3.4Å; Y1084-S1087 PolarHBondContact O-N 2.92Å; S1085-S1087 VanDerWaalsContact C-N 3.29Å; S1087-L1089 PolarHBondContact O-N 3.02Å; S1087-S1150 WeakPolarHBondContact CB-O 3.4Å; S1087-S1150 WeakPolarHBondContact O-CB 3.44Å; S1087-S1150 PolarHBondContact O-OG 2.9Å; S1087-S1150 PolarHBondContact OG-O 3.26Å |
| 1088 | S | 51.9 | Low | 54.4 | Low | 64 Ų | 64 | 67 Ų | 67 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71 | -26.5 | -172.4 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | Y1084 S1085 G1090 K1091 | Y1084-S1088 PolarHBondContact O-N 3.26Å; S1085-S1088 PolarHBondContact O-OG 3.08Å; S1088-G1090 PolarHBondContact O-N 3.41Å; S1088-K1091 PolarHBondContact O-N 3.21Å |
| 1089 | L | 46 | Very low | 51.8 | Low | 112 Ų | 112 | 72.7 Ų | 72.7 | 59% | 0.586 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.6 | -177.6 | -157.3 | 70.9 | 0 | 0 | 0 | 114 | S1087 I1145 | S1087-L1089 PolarHBondContact O-N 3.02Å; L1089-I1145 HydrophobicContact CB-CD1 4.07Å; L1089-I1145 HydrophobicContact CD2-CD1 3.85Å; L1089-I1145 HydrophobicContact CD2-CG1 4.19Å |
| 1090 | G | 34.2 | Very low | 48.9 | Very low | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -5.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1088 | S1088-G1090 PolarHBondContact O-N 3.41Š|
| 1091 | K | 29.3 | Very low | 46.4 | Very low | 96 Ų | 96 | 79.9 Ų | 79.9 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -140.7 | 35.7 | -160.1 | -70.3 | -178.4 | 179.4 | 164.8 | 0 | 116.8 | S1088 S1150 E1151 | S1088-K1091 PolarHBondContact O-N 3.21Å; K1091-S1150 WeakPolarHBondContact CD-OG 3.33Å; K1091-S1150 WeakPolarHBondContact CE-OG 3.42Å; K1091-S1150 PolarHBondContact NZ-OG 2.92Å; K1091-E1151 IonicContact NZ-OE2 2.73Å; K1091-E1151 PolarHBondContact NZ-OE2 2.8Å |
| 1092 | T | 26.4 | Very low | 44 | Very low | 117 Ų | 117 | 78.5 Ų | 78.5 | 72% | 0.718 | 47% | 0.47 | S | S | * | . | trans | -162.2 | 149.8 | 152.5 | 15.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1093 | V | 24.6 | Very low | 41.6 | Very low | 127 Ų | 127 | 82.1 Ų | 82.1 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -113.1 | 130.3 | 157.2 | 166.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 1094 | C | 23.1 | Very low | 39.2 | Very low | 60 Ų | 60 | 85.2 Ų | 85.2 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | S | Bend | trans | 75 | 140.7 | -174.4 | -60.7 | 0 | 0 | 0 | 0 | 117.1 | K691 | K691-C1094 PolarHBondContact NZ-SG 3.33Š|
| 1095 | S | 23.1 | Very low | 36.9 | Very low | 109 Ų | 109 | 84.7 Ų | 84.7 | 76% | 0.762 | 52% | 0.519 | S | S | * | . | trans | 51.1 | 84.2 | 155.6 | 56.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1096 | E | 22.1 | Very low | 35 | Very low | 199 Ų | 199 | 82.2 Ų | 82.2 | 93% | 0.93 | 50% | 0.501 | S | S | * | . | -153.3 | 147.4 | 111.1 | -111.2 | 169.7 | -158.3 | 0 | 0 | 109.3 | |||||
| 1097 | S | 26.6 | Very low | 33.1 | Very low | 76 Ų | 76 | 84.6 Ų | 84.6 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | trans | -146.4 | 77.6 | -163.9 | 63 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1098 | I | 28.1 | Very low | 31.5 | Very low | 118 Ų | 118 | 86.5 Ų | 86.5 | 61% | 0.605 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -132.1 | 146.5 | 157 | -60.6 | 90.2 | 0 | 0 | 0 | 106.9 | ||
| 1099 | N | 28.7 | Very low | 30.5 | Very low | 121 Ų | 121 | 85.9 Ų | 85.9 | 65% | 0.647 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 103.2 | -22.7 | -178.8 | -60.3 | -10.2 | 0 | 0 | 0 | 117.5 | S1101 | N1099-S1101 VanDerWaalsContact C-N 3.26Å; N1099-S1101 PolarHBondContact O-N 2.96Å |
| 1100 | G | 26.9 | Very low | 29.5 | Very low | 72 Ų | 72 | 85.2 Ų | 85.2 | 74% | 0.742 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 11.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 1101 | S | 33.7 | Very low | 29.2 | Very low | 83 Ų | 83 | 90.7 Ų | 90.7 | 58% | 0.58 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | -10 | -171.5 | -158.3 | 0 | 0 | 0 | 0 | 116.2 | N1099 | N1099-S1101 VanDerWaalsContact C-N 3.26Å; N1099-S1101 PolarHBondContact O-N 2.96Å |
| 1102 | I | 34.4 | Very low | 28.9 | Very low | 27 Ų | 27 | 91.1 Ų | 91.1 | 14% | 0.138 | 56% | 0.564 | C | S | . | * | S | Bend | trans | -84.7 | -38.4 | -169.1 | -54.2 | -178 | 0 | 0 | 0 | 111.8 | L860 I909 G1104 I1105 L1106 | L860-I1102 HydrophobicContact CD1-CD1 3.6Å; L860-I1102 HydrophobicContact CD1-CG1 4.02Å; L860-I1102 HydrophobicContact CD2-CG1 4.4Å; I909-I1102 HydrophobicContact CD1-CD1 3.69Å; I909-I1102 HydrophobicContact CG1-CD1 3.63Å; I909-I1102 HydrophobicContact CG2-CD1 4.45Å; I909-I1102 HydrophobicContact CG2-CG2 4.01Å; I1102-G1104 VanDerWaalsContact C-N 3.31Å; I1102-G1104 PolarHBondContact O-N 3.45Å; I1102-I1105 PolarHBondContact O-N 3.46Å; I1102-L1106 HydrophobicContact CG2-CD1 4.45Å; I1102-L1106 PolarHBondContact O-N 2.96Å |
| 1103 | H | 33.3 | Very low | 28.8 | Very low | 115 Ų | 115 | 94.9 Ų | 94.9 | 53% | 0.532 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -52.5 | -46 | -175.6 | -80.1 | -76.8 | 0 | 0 | 0 | 112.3 | I1105 L1106 S1107 | H1103-I1105 PolarHBondContact O-N 3.04Å; H1103-I1105 VanDerWaalsContact O-N 3.11Å; H1103-L1106 PolarHBondContact O-N 2.86Å; H1103-S1107 WeakPolarHBondContact O-CA 3.42Å; H1103-S1107 WeakPolarHBondContact O-CB 3.19Å; H1103-S1107 PolarHBondContact O-N 3.23Å; H1103-S1107 PolarHBondContact O-OG 3.4Å |
| 1104 | G | 33.8 | Very low | 28.8 | Very low | 66 Ų | 66 | 98.5 Ų | 98.5 | 68% | 0.68 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.6 | -26.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1102 | I1102-G1104 VanDerWaalsContact C-N 3.31Å; I1102-G1104 PolarHBondContact O-N 3.45Å |
| 1105 | I | 35.5 | Very low | 28.9 | Very low | 76 Ų | 76 | 104 Ų | 104 | 39% | 0.39 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -85.8 | -26.9 | -177.1 | -60.8 | 173.9 | 0 | 0 | 0 | 111.6 | L868 I1102 H1103 K1224 | L868-I1105 HydrophobicContact CD1-CG2 4.34Å; I1102-I1105 PolarHBondContact O-N 3.46Å; H1103-I1105 PolarHBondContact O-N 3.04Å; H1103-I1105 VanDerWaalsContact O-N 3.11Å; I1105-K1224 PolarHBondContact O-NZ 3.21Å |
| 1106 | L | 34.9 | Very low | 29 | Very low | 11 Ų | 11 | 104.3 Ų | 104.3 | 6% | 0.058 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -119.7 | -9.1 | -176.3 | -75.3 | 170.8 | 0 | 0 | 0 | 115.2 | L868 I909 T913 I1102 H1103 F1109 | L868-L1106 HydrophobicContact CD2-CD2 4.21Å; I909-L1106 HydrophobicContact CG2-CD1 4.5Å; T913-L1106 HydrophobicContact CG2-CB 3.79Å; T913-L1106 HydrophobicContact CG2-CD1 4.4Å; T913-L1106 WeakPolarHBondContact OG1-CD1 3.38Å; I1102-L1106 HydrophobicContact CG2-CD1 4.45Å; I1102-L1106 PolarHBondContact O-N 2.96Å; H1103-L1106 PolarHBondContact O-N 2.86Å; L1106-F1109 HydrophobicContact CD2-CE2 3.98Å; L1106-F1109 HydrophobicContact CD2-CZ 3.96Å; L1106-F1109 WeakPolarHBondContact O-CD2 3.2Å; L1106-F1109 WeakPolarHBondContact O-CE2 3.31Å |
| 1107 | S | 34.3 | Very low | 28.9 | Very low | 82 Ų | 82 | 99.8 Ų | 99.8 | 57% | 0.573 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -89.6 | 0.9 | 172.8 | 78.8 | 0 | 0 | 0 | 0 | 113.6 | H1103 F1109 | H1103-S1107 WeakPolarHBondContact O-CA 3.42Å; H1103-S1107 WeakPolarHBondContact O-CB 3.19Å; H1103-S1107 PolarHBondContact O-N 3.23Å; H1103-S1107 PolarHBondContact O-OG 3.4Å; S1107-F1109 PolarHBondContact O-N 3.29Å |
| 1108 | G | 29.9 | Very low | 28.8 | Very low | 58 Ų | 58 | 107 Ų | 107 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | trans | -72 | 29.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1109 | F | 32.1 | Very low | 28.8 | Very low | 51 Ų | 51 | 108 Ų | 108 | 22% | 0.224 | 62% | 0.615 | C | S | . | * | trans | -111.3 | 101.8 | 179 | -60.6 | -30.8 | 0 | 0 | 0 | 108.5 | L1106 S1107 K1220 | L1106-F1109 HydrophobicContact CD2-CE2 3.98Å; L1106-F1109 HydrophobicContact CD2-CZ 3.96Å; L1106-F1109 WeakPolarHBondContact O-CD2 3.2Å; L1106-F1109 WeakPolarHBondContact O-CE2 3.31Å; S1107-F1109 PolarHBondContact O-N 3.29Å; F1109-K1220 HydrophobicContact CD1-CB 4.23Å; F1109-K1220 HydrophobicContact CD1-CD 3.88Å; F1109-K1220 HydrophobicContact CD1-CG 4.18Å; F1109-K1220 HydrophobicContact CE1-CB 3.66Å; F1109-K1220 HydrophobicContact CE1-CD 4.03Å; F1109-K1220 HydrophobicContact CE1-CG 4.13Å; F1109-K1220 HydrophobicContact CG-CD 4.16Å; F1109-K1220 HydrophobicContact CZ-CB 4.14Å; F1109-K1220 HydrophobicContact CZ-CD 4.42Å | ||
| 1110 | P | 25.5 | Very low | 28.5 | Very low | 99 Ų | 99 | 110 Ų | 110 | 64% | 0.643 | 63% | 0.625 | S | S | * | * | trans | -61.1 | 139.5 | 164.9 | 27.8 | -33.1 | 0 | 0 | 0 | 108.6 | D1112 | P1110-D1112 VanDerWaalsContact C-N 3.31Š| ||
| 1111 | N | 26.5 | Very low | 28.4 | Very low | 141 Ų | 141 | 112.1 Ų | 112.1 | 75% | 0.754 | 63% | 0.629 | S | S | * | * | trans | -103.8 | 36.7 | -176.1 | -125.7 | 29.4 | 0 | 0 | 0 | 110.7 | ||||
| 1112 | D | 23.6 | Very low | 27.9 | Very low | 106 Ų | 106 | 115.5 Ų | 115.5 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | trans | -122.3 | 151.4 | -174.9 | -64.2 | -72.9 | 0 | 0 | 0 | 109.9 | P1110 | P1110-D1112 VanDerWaalsContact C-N 3.31Š| ||
| 1113 | F | 23.8 | Very low | 27.5 | Very low | 195 Ų | 195 | 121.5 Ų | 121.5 | 86% | 0.855 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 76.7 | 144.2 | -169.4 | -65.6 | -90.8 | 0 | 0 | 0 | 117.1 | ||
| 1114 | F | 24.6 | Very low | 26.9 | Very low | 203 Ų | 203 | 123.8 Ų | 123.8 | 89% | 0.89 | 69% | 0.688 | S | S | * | * | trans | 68.3 | 63.8 | -177.3 | -60.3 | -74.3 | 0 | 0 | 0 | 117.4 | ||||
| 1115 | H | 24.8 | Very low | 26.5 | Very low | 176 Ų | 176 | 124.4 Ų | 124.4 | 82% | 0.815 | 68% | 0.683 | S | S | * | * | trans | -80.3 | 121.4 | 150.1 | -148.9 | -63.8 | 0 | 0 | 0 | 108.8 | ||||
| 1116 | P | 25.6 | Very low | 25.9 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | trans | -75.7 | 125.2 | 172.4 | 29.3 | -31.9 | 0 | 0 | 0 | 109.9 | Y1118 | P1116-Y1118 PolarHBondContact O-N 3.28Š| ||
| 1117 | S | 21.2 | Very low | 25.4 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -82.6 | 111.9 | -176.7 | -53.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1118 | Y | 24 | Very low | 24.9 | Very low | 226 Ų | 226 | 138.6 Ų | 138.6 | 89% | 0.886 | 74% | 0.743 | S | S | * | * | trans | -161.4 | 148.3 | 150.9 | -100.2 | -63 | 0 | 0 | 0 | 113 | P1116 | P1116-Y1118 PolarHBondContact O-N 3.28Š| ||
| 1119 | T | 27.7 | Very low | 24.6 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | 77.1 | 142.5 | 176.6 | 73 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1120 | N | 23.1 | Very low | 24.5 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -100.5 | 144.6 | -169.7 | -66.3 | -40.6 | 0 | 0 | 0 | 112.4 | ||||
| 1121 | S | 23.9 | Very low | 24.5 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | 176.3 | 164.7 | 115 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1122 | L | 22.7 | Very low | 24.4 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | -65.1 | 131.8 | -168.5 | -71.2 | 56.9 | 0 | 0 | 0 | 113.9 | ||||
| 1123 | N | 25.9 | Very low | 24.6 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | 179.5 | 162.1 | 99.9 | -98.4 | -44.7 | 0 | 0 | 0 | 115 | |||||
| 1124 | N | 22.3 | Very low | 24.7 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -58.9 | 130 | 177.6 | -81.6 | -29 | 0 | 0 | 0 | 114.4 | ||||
| 1125 | S | 24.4 | Very low | 24.8 | Very low | 80 Ų | 80 | 138 Ų | 138 | 56% | 0.559 | 74% | 0.743 | S | S | * | * | -164.2 | 144.9 | 126 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | Y1127 | S1125-Y1127 WeakPolarHBondContact O-CD2 3.49Å; S1125-Y1127 PolarHBondContact O-N 3.46Å | |||
| 1126 | S | 23.1 | Very low | 24.8 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -81.9 | 106.5 | -175.3 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | H1128 | S1126-H1128 PolarHBondContact O-N 3.33Š| ||
| 1127 | Y | 24.1 | Very low | 24.7 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | -84 | 93.5 | 174.9 | -73.6 | -85.2 | 0 | 0 | 0 | 111.5 | S1125 | S1125-Y1127 WeakPolarHBondContact O-CD2 3.49Å; S1125-Y1127 PolarHBondContact O-N 3.46Å | ||
| 1128 | H | 24.3 | Very low | 25 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | -73.3 | 125.6 | 166.7 | -78.2 | -79.7 | 0 | 0 | 0 | 110.9 | S1126 W1130 | S1126-H1128 PolarHBondContact O-N 3.33Å; H1128-W1130 PolarHBondContact O-N 2.73Å | ||
| 1129 | S | 23.9 | Very low | 25 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -63.9 | 101.9 | 175.6 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | S1131 | S1129-S1131 VanDerWaalsContact C-N 3.33Å; S1129-S1131 PolarHBondContact O-N 3.06Å | ||
| 1130 | W | 28.9 | Very low | 24.9 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 63% | 0.633 | 74% | 0.738 | S | S | * | * | trans | -79.7 | 75.4 | 174.8 | -80.3 | 17.1 | 0 | 0 | 0 | 111.9 | R924 E928 H1128 S1132 | R924-W1130 VanDerWaalsContact CD-CZ3 3.47Å; R924-W1130 HydrophobicContact CG-CE3 4.45Å; R924-W1130 HydrophobicContact CG-CZ3 3.94Å; E928-W1130 WeakPolarHBondContact OE1-CZ3 3.46Å; H1128-W1130 PolarHBondContact O-N 2.73Å; W1130-S1132 VanDerWaalsContact C-N 3.28Å | ||
| 1131 | S | 25.9 | Very low | 25.2 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -84.8 | -0.6 | 164.2 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | Q445 S1129 | Q445-S1131 PolarHBondContact NE2-O 3.42Å; S1129-S1131 VanDerWaalsContact C-N 3.33Å; S1129-S1131 PolarHBondContact O-N 3.06Å | ||
| 1132 | S | 25.1 | Very low | 25.6 | Very low | 61 Ų | 61 | 126 Ų | 126 | 43% | 0.427 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -128 | 133.3 | -177.5 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | Q445 W1130 | Q445-S1132 PolarHBondContact NE2-OG 3.02Å; W1130-S1132 VanDerWaalsContact C-N 3.28Å |
| 1133 | F | 26.7 | Very low | 26.5 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 63% | 0.627 | 72% | 0.723 | S | S | * | * | trans | -56.8 | 151.8 | 156.8 | -98.3 | -104.1 | 0 | 0 | 0 | 109.5 | Q1135 | F1133-Q1135 PolarHBondContact O-N 3.25Š| ||
| 1134 | P | 26.6 | Very low | 27.9 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | trans | -57.8 | 124.1 | 178.1 | 23.4 | -33.9 | 0 | 0 | 0 | 111 | L1136 | P1134-L1136 PolarHBondContact O-N 3.29Š| ||
| 1135 | Q | 26.6 | Very low | 30 | Very low | 170 Ų | 170 | 115.8 Ų | 115.8 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -69.6 | 83 | 169.3 | -76.3 | -172.2 | -15 | 0 | 0 | 109.7 | F1133 N1137 | F1133-Q1135 PolarHBondContact O-N 3.25Å; Q1135-N1137 PolarHBondContact O-N 3.07Å | ||
| 1136 | L | 24.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 114.2 Ų | 114.2 | 80% | 0.801 | 67% | 0.668 | S | S | * | * | trans | -62.4 | 118.6 | 159.5 | -73.3 | 167.9 | 0 | 0 | 0 | 107.7 | P1134 S1138 | P1134-L1136 PolarHBondContact O-N 3.29Å; L1136-S1138 PolarHBondContact O-N 2.91Å; L1136-S1138 VanDerWaalsContact O-N 3.08Å | ||
| 1137 | N | 23.8 | Very low | 34.8 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 86% | 0.856 | 66% | 0.659 | S | S | * | * | trans | -33.8 | 109.2 | -173.2 | -76 | -33.9 | 0 | 0 | 0 | 113.3 | Q1135 G1139 | Q1135-N1137 PolarHBondContact O-N 3.07Å; N1137-G1139 PolarHBondContact O-N 3Å | ||
| 1138 | S | 26.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 106.6 Ų | 106.6 | 85% | 0.853 | 64% | 0.636 | S | S | * | * | trans | -77.2 | 39.7 | -177.7 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | L1136 A1140 | L1136-S1138 PolarHBondContact O-N 2.91Å; L1136-S1138 VanDerWaalsContact O-N 3.08Å; S1138-A1140 PolarHBondContact O-N 2.99Å | ||
| 1139 | G | 24.6 | Very low | 40.3 | Very low | 72 Ų | 72 | 99.1 Ų | 99.1 | 74% | 0.742 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -81 | 86.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1137 | N1137-G1139 PolarHBondContact O-N 3Š|
| 1140 | A | 26.4 | Very low | 43 | Very low | 83 Ų | 83 | 94.2 Ų | 94.2 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 77.4 | 140 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117 | S1138 | S1138-A1140 PolarHBondContact O-N 2.99Š|
| 1141 | S | 29.3 | Very low | 45.6 | Very low | 114 Ų | 114 | 91.1 Ų | 91.1 | 80% | 0.797 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 59.8 | 133.9 | -180 | 35.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1142 | S | 31.6 | Very low | 48.5 | Very low | 84 Ų | 84 | 86.5 Ų | 86.5 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | trans | -65.8 | 145.7 | 172.9 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | T1144 | S1142-T1144 PolarHBondContact O-N 2.93Å; S1142-T1144 VanDerWaalsContact O-N 3.17Å | ||
| 1143 | P | 42.9 | Very low | 51.5 | Low | 122 Ų | 122 | 83.7 Ų | 83.7 | 79% | 0.792 | 51% | 0.508 | S | S | * | . | trans | -71.3 | 110.8 | -179.1 | 28.7 | -34.4 | 0 | 0 | 0 | 111.3 | ||||
| 1144 | T | 54.7 | Low | 54.3 | Low | 109 Ų | 109 | 77.8 Ų | 77.8 | 67% | 0.669 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 125.4 | 170.2 | -52 | 0 | 0 | 0 | 0 | 108.9 | S1142 | S1142-T1144 PolarHBondContact O-N 2.93Å; S1142-T1144 VanDerWaalsContact O-N 3.17Å |
| 1145 | I | 65.2 | Low | 57.2 | Low | 25 Ų | 25 | 74.6 Ų | 74.6 | 13% | 0.128 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 131.5 | 175.8 | -66.6 | -174.4 | 0 | 0 | 0 | 109.3 | L1089 A1149 F1153 | L1089-I1145 HydrophobicContact CB-CD1 4.07Å; L1089-I1145 HydrophobicContact CD2-CD1 3.85Å; L1089-I1145 HydrophobicContact CD2-CG1 4.19Å; I1145-A1149 HydrophobicContact CG2-CB 3.93Å; I1145-F1153 HydrophobicContact CG2-CE2 4.5Å |
| 1146 | P | 74.3 | Confident | 60.2 | Low | 47 Ų | 47 | 66.5 Ų | 66.5 | 31% | 0.305 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 141.6 | 177.9 | -26.7 | 34.8 | 0 | 0 | 0 | 112.8 | L931 H1148 A1149 S1150 | L931-P1146 HydrophobicContact CD2-CG 4.46Å; P1146-H1148 VanDerWaalsContact C-N 3.26Å; P1146-H1148 WeakPolarHBondContact CB-CE1 3.41Å; P1146-H1148 PolarHBondContact O-N 3.03Å; P1146-A1149 HydrophobicContact CB-CB 4.45Å; P1146-A1149 PolarHBondContact O-N 3.01Å; P1146-S1150 PolarHBondContact O-N 2.86Å; P1146-S1150 VanDerWaalsContact O-N 3.08Å |
| 1147 | S | 74.7 | Confident | 63.2 | Low | 84 Ų | 84 | 59.2 Ų | 59.2 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.3 | -37.1 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | S1150 E1151 | S1147-S1150 WeakPolarHBondContact O-CB 3.46Å; S1147-S1150 PolarHBondContact O-N 3.02Å; S1147-E1151 WeakPolarHBondContact O-CB 3.32Å; S1147-E1151 PolarHBondContact O-N 3.44Å |
| 1148 | H | 81.1 | Confident | 66.1 | Low | 66 Ų | 66 | 56.9 Ų | 56.9 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 176.4 | 59.5 | -103.4 | 0 | 0 | 0 | 113 | W1027 P1146 E1151 A1152 | W1027-H1148 HydrophobicContact CH2-CB 4.48Å; P1146-H1148 VanDerWaalsContact C-N 3.26Å; P1146-H1148 WeakPolarHBondContact CB-CE1 3.41Å; P1146-H1148 PolarHBondContact O-N 3.03Å; H1148-E1151 PolarHBondContact O-N 2.96Å; H1148-A1152 WeakPolarHBondContact O-CB 3.47Å; H1148-A1152 PolarHBondContact O-N 2.95Å |
| 1149 | A | 82.6 | Confident | 68.9 | Low | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A930 L931 I1145 P1146 E1151 A1152 F1153 | A930-A1149 HydrophobicContact CB-CB 4.19Å; A930-A1149 WeakPolarHBondContact O-CB 3.2Å; L931-A1149 HydrophobicContact CD2-CB 4.43Å; I1145-A1149 HydrophobicContact CG2-CB 3.93Å; P1146-A1149 HydrophobicContact CB-CB 4.45Å; P1146-A1149 PolarHBondContact O-N 3.01Å; A1149-E1151 PolarHBondContact O-N 2.89Å; A1149-A1152 PolarHBondContact O-N 2.98Å; A1149-F1153 HydrophobicContact CB-CE2 4.15Å; A1149-F1153 WeakPolarHBondContact O-CD2 3.47Å; A1149-F1153 VanDerWaalsContact O-CG 3.26Å; A1149-F1153 WeakPolarHBondContact O-CG 3.26Å; A1149-F1153 PolarHBondContact O-N 3.04Å |
| 1150 | S | 80.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.5 | -47.2 | 171.5 | 164.3 | 0 | 0 | 0 | 0 | 112.1 | S1087 K1091 P1146 S1147 A1154 | S1087-S1150 WeakPolarHBondContact CB-O 3.4Å; S1087-S1150 WeakPolarHBondContact O-CB 3.44Å; S1087-S1150 PolarHBondContact O-OG 2.9Å; S1087-S1150 PolarHBondContact OG-O 3.26Å; K1091-S1150 WeakPolarHBondContact CD-OG 3.33Å; K1091-S1150 WeakPolarHBondContact CE-OG 3.42Å; K1091-S1150 PolarHBondContact NZ-OG 2.92Å; P1146-S1150 PolarHBondContact O-N 2.86Å; P1146-S1150 VanDerWaalsContact O-N 3.08Å; S1147-S1150 WeakPolarHBondContact O-CB 3.46Å; S1147-S1150 PolarHBondContact O-N 3.02Å; S1150-A1154 PolarHBondContact O-N 3.41Å |
| 1151 | E | 83.8 | Confident | 74.6 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -49.9 | 175.1 | -153.4 | 98.2 | -176.9 | 0 | 0 | 111.9 | K1091 S1147 H1148 A1149 F1153 A1154 I1155 | K1091-E1151 IonicContact NZ-OE2 2.73Å; K1091-E1151 PolarHBondContact NZ-OE2 2.8Å; S1147-E1151 WeakPolarHBondContact O-CB 3.32Å; S1147-E1151 PolarHBondContact O-N 3.44Å; H1148-E1151 PolarHBondContact O-N 2.96Å; A1149-E1151 PolarHBondContact O-N 2.89Å; E1151-F1153 PolarHBondContact O-N 3.42Å; E1151-A1154 PolarHBondContact O-N 2.6Å; E1151-I1155 HydrophobicContact CG-CD1 4.02Å; E1151-I1155 WeakPolarHBondContact O-CG1 3.47Å; E1151-I1155 PolarHBondContact O-N 2.85Å |
| 1152 | A | 87 | Confident | 77.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1027 L1031 H1148 A1149 A1154 I1155 I1156 | W1027-A1152 HydrophobicContact CH2-CB 3.77Å; W1027-A1152 HydrophobicContact CZ3-CB 3.8Å; L1031-A1152 HydrophobicContact CD1-CB 3.99Å; H1148-A1152 WeakPolarHBondContact O-CB 3.47Å; H1148-A1152 PolarHBondContact O-N 2.95Å; A1149-A1152 PolarHBondContact O-N 2.98Å; A1152-A1154 VanDerWaalsContact C-N 3.32Å; A1152-A1154 PolarHBondContact O-N 2.75Å; A1152-I1155 PolarHBondContact O-N 3.1Å; A1152-I1156 WeakPolarHBondContact O-CB 3.34Å; A1152-I1156 WeakPolarHBondContact O-CD1 3.27Å; A1152-I1156 WeakPolarHBondContact O-CG1 3.33Å; A1152-I1156 PolarHBondContact O-N 2.85Å |
| 1153 | F | 88.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 175.9 | -61.5 | -45.1 | 0 | 0 | 0 | 112 | C927 A930 L1083 L1086 I1145 A1149 E1151 A1157 | C927-F1153 HydrophobicContact CB-CZ 4.41Å; A930-F1153 HydrophobicContact CB-CD1 4.3Å; A930-F1153 HydrophobicContact CB-CE1 3.48Å; A930-F1153 VanDerWaalsContact CB-CE1 3.48Å; A930-F1153 HydrophobicContact CB-CE2 4.47Å; A930-F1153 HydrophobicContact CB-CZ 3.58Å; L1083-F1153 HydrophobicContact CD2-CD1 4.44Å; L1083-F1153 WeakPolarHBondContact O-CB 3.19Å; L1086-F1153 HydrophobicContact CB-CD2 3.7Å; L1086-F1153 HydrophobicContact CB-CE2 3.94Å; L1086-F1153 HydrophobicContact CB-CG 4.23Å; L1086-F1153 HydrophobicContact CD2-CD2 4.46Å; L1086-F1153 HydrophobicContact CD2-CE1 4.39Å; L1086-F1153 HydrophobicContact CD2-CE2 3.99Å; L1086-F1153 HydrophobicContact CD2-CZ 3.95Å; I1145-F1153 HydrophobicContact CG2-CE2 4.5Å; A1149-F1153 HydrophobicContact CB-CE2 4.15Å; A1149-F1153 WeakPolarHBondContact O-CD2 3.47Å; A1149-F1153 VanDerWaalsContact O-CG 3.26Å; A1149-F1153 WeakPolarHBondContact O-CG 3.26Å; A1149-F1153 PolarHBondContact O-N 3.04Å; E1151-F1153 PolarHBondContact O-N 3.42Å; F1153-A1157 VanDerWaalsContact O-CB 3.27Å; F1153-A1157 WeakPolarHBondContact O-CB 3.45Å; F1153-A1157 PolarHBondContact O-N 3.43Å |
| 1154 | A | 86.2 | Confident | 81 | Confident | 19 Ų | 19 | 34.4 Ų | 34.4 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.1 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1084 S1150 E1151 A1152 K1158 | Y1084-A1154 HydrophobicContact CD1-CB 4.42Å; Y1084-A1154 HydrophobicContact CE1-CB 4.38Å; S1150-A1154 PolarHBondContact O-N 3.41Å; E1151-A1154 PolarHBondContact O-N 2.6Å; A1152-A1154 VanDerWaalsContact C-N 3.32Å; A1152-A1154 PolarHBondContact O-N 2.75Å; A1154-K1158 WeakPolarHBondContact O-CG 3.35Å; A1154-K1158 PolarHBondContact O-N 3.44Å |
| 1155 | I | 87.3 | Confident | 81.8 | Confident | 32 Ų | 32 | 30.4 Ų | 30.4 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -51.5 | 174.3 | -70.9 | 163.8 | 0 | 0 | 0 | 110.1 | H1028 E1151 A1152 A1157 K1158 T1159 F1177 | H1028-I1155 WeakPolarHBondContact NE2-CD1 3.39Å; E1151-I1155 HydrophobicContact CG-CD1 4.02Å; E1151-I1155 WeakPolarHBondContact O-CG1 3.47Å; E1151-I1155 PolarHBondContact O-N 2.85Å; A1152-I1155 PolarHBondContact O-N 3.1Å; I1155-A1157 VanDerWaalsContact C-N 3.29Å; I1155-A1157 PolarHBondContact O-N 3.41Å; I1155-K1158 WeakPolarHBondContact O-CB 3.36Å; I1155-K1158 PolarHBondContact O-N 2.83Å; I1155-K1158 VanDerWaalsContact O-N 3.1Å; I1155-T1159 PolarHBondContact O-N 3.18Å; I1155-T1159 PolarHBondContact O-OG1 3.46Å; I1155-T1159 VanDerWaalsContact O-OG1 3.07Å; I1155-F1177 HydrophobicContact CG2-CE1 3.65Å; I1155-F1177 HydrophobicContact CG2-CZ 3.94Å |
| 1156 | I | 88.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.1 | -42.2 | 178.9 | -64.4 | 158.9 | 0 | 0 | 0 | 110.8 | V926 L1031 L1032 A1035 L1083 A1152 K1158 T1159 L1160 | V926-I1156 HydrophobicContact CG1-CD1 3.85Å; L1031-I1156 HydrophobicContact CB-CD1 3.6Å; L1031-I1156 HydrophobicContact CB-CG1 4.41Å; L1031-I1156 HydrophobicContact CD1-CD1 4.05Å; L1031-I1156 HydrophobicContact CG-CD1 4.45Å; L1032-I1156 HydrophobicContact CD1-CG2 4.18Å; A1035-I1156 HydrophobicContact CB-CG2 4.34Å; L1083-I1156 HydrophobicContact CD1-CG2 4.1Å; A1152-I1156 WeakPolarHBondContact O-CB 3.34Å; A1152-I1156 WeakPolarHBondContact O-CD1 3.27Å; A1152-I1156 WeakPolarHBondContact O-CG1 3.33Å; A1152-I1156 PolarHBondContact O-N 2.85Å; I1156-K1158 PolarHBondContact O-N 2.99Å; I1156-T1159 PolarHBondContact O-N 3.38Å; I1156-L1160 HydrophobicContact CG2-CD1 3.88Å; I1156-L1160 HydrophobicContact CG2-CG 4.24Å; I1156-L1160 WeakPolarHBondContact O-CB 3.31Å; I1156-L1160 WeakPolarHBondContact O-CG 3.44Å; I1156-L1160 PolarHBondContact O-N 2.96Å |
| 1157 | A | 86.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1080 L1083 Y1084 F1153 I1155 L1161 | C1080-A1157 HydrophobicContact CB-CB 4.29Å; C1080-A1157 PolarHBondContact SG-O 3.33Å; L1083-A1157 HydrophobicContact CB-CB 3.78Å; L1083-A1157 HydrophobicContact CD1-CB 4.11Å; Y1084-A1157 HydrophobicContact CD1-CB 4.04Å; Y1084-A1157 HydrophobicContact CD2-CB 4.23Å; Y1084-A1157 HydrophobicContact CE1-CB 3.65Å; Y1084-A1157 HydrophobicContact CE2-CB 3.86Å; Y1084-A1157 HydrophobicContact CG-CB 4.3Å; F1153-A1157 VanDerWaalsContact O-CB 3.27Å; F1153-A1157 WeakPolarHBondContact O-CB 3.45Å; F1153-A1157 PolarHBondContact O-N 3.43Å; I1155-A1157 VanDerWaalsContact C-N 3.29Å; I1155-A1157 PolarHBondContact O-N 3.41Å; A1157-L1161 WeakPolarHBondContact O-CB 3.41Å; A1157-L1161 PolarHBondContact O-N 3.09Å |
| 1158 | K | 86 | Confident | 79.1 | Confident | 111 Ų | 111 | 42.3 Ų | 42.3 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.3 | -47.6 | 173.7 | -72.2 | 171.1 | 179.5 | 178.6 | 0 | 111.5 | Y1084 A1154 I1155 I1156 L1161 A1162 | Y1084-K1158 WeakPolarHBondContact OH-CG 3.29Å; A1154-K1158 WeakPolarHBondContact O-CG 3.35Å; A1154-K1158 PolarHBondContact O-N 3.44Å; I1155-K1158 WeakPolarHBondContact O-CB 3.36Å; I1155-K1158 PolarHBondContact O-N 2.83Å; I1155-K1158 VanDerWaalsContact O-N 3.1Å; I1156-K1158 PolarHBondContact O-N 2.99Å; K1158-L1161 PolarHBondContact O-N 3.19Å; K1158-A1162 WeakPolarHBondContact O-CB 3.43Å; K1158-A1162 PolarHBondContact O-N 2.68Å |
| 1159 | T | 85.3 | Confident | 77.3 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.7 | -37.9 | -175.1 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | L1032 I1155 I1156 A1162 L1163 F1177 L1178 | L1032-T1159 HydrophobicContact CD1-CG2 4.45Å; L1032-T1159 HydrophobicContact CD2-CG2 3.53Å; I1155-T1159 PolarHBondContact O-N 3.18Å; I1155-T1159 PolarHBondContact O-OG1 3.46Å; I1155-T1159 VanDerWaalsContact O-OG1 3.07Å; I1156-T1159 PolarHBondContact O-N 3.38Å; T1159-A1162 PolarHBondContact O-N 2.67Å; T1159-L1163 HydrophobicContact CG2-CD1 4.42Å; T1159-L1163 HydrophobicContact CG2-CG 4.46Å; T1159-L1163 WeakPolarHBondContact O-CB 3.12Å; T1159-L1163 VanDerWaalsContact O-CG 3.27Å; T1159-L1163 WeakPolarHBondContact O-CG 3.14Å; T1159-L1163 PolarHBondContact O-N 2.95Å; T1159-F1177 HydrophobicContact CG2-CZ 3.93Å; T1159-F1177 WeakPolarHBondContact OG1-CZ 3.38Å; T1159-L1178 HydrophobicContact CG2-CD1 3.57Å |
| 1160 | L | 86.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 169.8 | -74.6 | 172.7 | 0 | 0 | 0 | 111.3 | L1032 V1036 F1075 L1083 I1156 A1162 L1163 V1164 L1190 | L1032-L1160 HydrophobicContact CD1-CD2 3.8Å; L1032-L1160 HydrophobicContact CD1-CG 3.86Å; V1036-L1160 HydrophobicContact CG2-CD2 4.01Å; F1075-L1160 HydrophobicContact CD1-CB 4.36Å; L1083-L1160 HydrophobicContact CD1-CD1 3.94Å; I1156-L1160 HydrophobicContact CG2-CD1 3.88Å; I1156-L1160 HydrophobicContact CG2-CG 4.24Å; I1156-L1160 WeakPolarHBondContact O-CB 3.31Å; I1156-L1160 WeakPolarHBondContact O-CG 3.44Å; I1156-L1160 PolarHBondContact O-N 2.96Å; L1160-A1162 VanDerWaalsContact C-N 3.31Å; L1160-A1162 PolarHBondContact O-N 3.44Å; L1160-L1163 PolarHBondContact O-N 3.24Å; L1160-V1164 WeakPolarHBondContact O-CG2 3.18Å; L1160-V1164 PolarHBondContact O-N 3.25Å; L1160-L1190 HydrophobicContact CD2-CD1 4.31Å |
| 1161 | L | 83.2 | Confident | 73.7 | Confident | 53 Ų | 53 | 54.7 Ų | 54.7 | 28% | 0.277 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64 | -35.8 | 178.6 | -165.9 | 70.6 | 0 | 0 | 0 | 112.4 | F1075 L1076 A1157 K1158 G1165 | F1075-L1161 HydrophobicContact CB-CD1 3.99Å; L1076-L1161 HydrophobicContact CB-CD1 4.02Å; L1076-L1161 HydrophobicContact CD1-CD1 4.32Å; L1076-L1161 HydrophobicContact CD1-CD2 4.05Å; A1157-L1161 WeakPolarHBondContact O-CB 3.41Å; A1157-L1161 PolarHBondContact O-N 3.09Å; K1158-L1161 PolarHBondContact O-N 3.19Å; L1161-G1165 PolarHBondContact O-N 2.84Å |
| 1162 | A | 81.3 | Confident | 71.4 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1158 T1159 L1160 V1164 G1165 F1183 | K1158-A1162 WeakPolarHBondContact O-CB 3.43Å; K1158-A1162 PolarHBondContact O-N 2.68Å; T1159-A1162 PolarHBondContact O-N 2.67Å; L1160-A1162 VanDerWaalsContact C-N 3.31Å; L1160-A1162 PolarHBondContact O-N 3.44Å; A1162-V1164 PolarHBondContact O-N 2.91Å; A1162-G1165 PolarHBondContact O-N 3.48Å; A1162-F1183 HydrophobicContact CB-CE2 4.44Å |
| 1163 | L | 81.5 | Confident | 69.3 | Low | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.4 | -32.7 | -178.5 | -84.9 | 169.5 | 0 | 0 | 0 | 113.1 | L1032 T1159 L1160 F1183 L1186 R1187 L1190 | L1032-L1163 HydrophobicContact CD1-CD1 4.22Å; L1032-L1163 HydrophobicContact CD2-CD1 4.16Å; L1032-L1163 HydrophobicContact CG-CD1 4.48Å; T1159-L1163 HydrophobicContact CG2-CD1 4.42Å; T1159-L1163 HydrophobicContact CG2-CG 4.46Å; T1159-L1163 WeakPolarHBondContact O-CB 3.12Å; T1159-L1163 VanDerWaalsContact O-CG 3.27Å; T1159-L1163 WeakPolarHBondContact O-CG 3.14Å; T1159-L1163 PolarHBondContact O-N 2.95Å; L1160-L1163 PolarHBondContact O-N 3.24Å; L1163-F1183 HydrophobicContact CD2-CD1 4.32Å; L1163-F1183 HydrophobicContact CD2-CD2 3.56Å; L1163-F1183 HydrophobicContact CD2-CE1 4.41Å; L1163-F1183 HydrophobicContact CD2-CE2 3.68Å; L1163-F1183 HydrophobicContact CD2-CG 3.9Å; L1163-F1183 HydrophobicContact CD2-CZ 4.11Å; L1163-F1183 VanDerWaalsContact CD2-O 3.23Å; L1163-F1183 WeakPolarHBondContact CD2-O 3.49Å; L1163-F1183 HydrophobicContact CG-CD2 4.25Å; L1163-F1183 HydrophobicContact CG-CE2 3.99Å; L1163-L1186 HydrophobicContact CD1-CB 4.06Å; L1163-L1186 HydrophobicContact CD1-CD1 4.49Å; L1163-L1186 HydrophobicContact CD2-CB 3.85Å; L1163-R1187 HydrophobicContact CD2-CB 4.14Å; L1163-R1187 WeakPolarHBondContact O-CB 3.17Å; L1163-R1187 WeakPolarHBondContact O-CD 3.44Å; L1163-R1187 WeakPolarHBondContact O-CG 3.49Å; L1163-R1187 PolarHBondContact O-NH1 2.86Å; L1163-L1190 HydrophobicContact CB-CD1 4.09Å; L1163-L1190 HydrophobicContact CD1-CD1 4.1Å |
| 1164 | V | 76.3 | Confident | 67.3 | Low | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -99 | -12.7 | -178.8 | -146.6 | 0 | 0 | 0 | 0 | 113.2 | C1071 F1075 L1160 A1162 R1187 L1190 L1191 | C1071-V1164 VanDerWaalsContact SG-C 3.6Å; C1071-V1164 VanDerWaalsContact SG-CB 3.51Å; C1071-V1164 WeakPolarHBondContact SG-CG1 3.25Å; C1071-V1164 PolarHBondContact SG-O 2.69Å; F1075-V1164 HydrophobicContact CD1-CG2 4.33Å; F1075-V1164 HydrophobicContact CD2-CG2 4.09Å; F1075-V1164 HydrophobicContact CE1-CG2 4.09Å; F1075-V1164 HydrophobicContact CE2-CG1 4.47Å; F1075-V1164 HydrophobicContact CE2-CG2 3.83Å; F1075-V1164 HydrophobicContact CG-CG2 4.34Å; F1075-V1164 HydrophobicContact CZ-CG2 3.84Å; L1160-V1164 WeakPolarHBondContact O-CG2 3.18Å; L1160-V1164 PolarHBondContact O-N 3.25Å; A1162-V1164 PolarHBondContact O-N 2.91Å; V1164-R1187 VanDerWaalsContact C-NH1 3.28Å; V1164-R1187 PolarHBondContact O-NH1 2.9Å; V1164-L1190 HydrophobicContact CG2-CD1 4.21Å; V1164-L1191 HydrophobicContact CG1-CD2 3.53Å; V1164-L1191 HydrophobicContact CG1-CG 4.24Å |
| 1165 | G | 70.7 | Confident | 65.5 | Low | 24 Ų | 24 | 69.9 Ų | 69.9 | 25% | 0.247 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -61.3 | 171.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1161 A1162 N1167 R1187 | L1161-G1165 PolarHBondContact O-N 2.84Å; A1162-G1165 PolarHBondContact O-N 3.48Å; G1165-N1167 PolarHBondContact O-N 3.41Å; G1165-R1187 VanDerWaalsContact O-CZ 3.26Å; G1165-R1187 PolarHBondContact O-NH1 3.36Å; G1165-R1187 PolarHBondContact O-NH2 3.29Å |
| 1166 | L | 59.3 | Low | 64.1 | Low | 85 Ų | 85 | 71.2 Ų | 71.2 | 45% | 0.445 | 41% | 0.405 | S | S | . | . | trans | -86 | 2.6 | -171.3 | -136 | -172.8 | 0 | 0 | 0 | 115.1 | V1068 E1168 | V1068-L1166 HydrophobicContact CG2-CB 4.33Å; V1068-L1166 HydrophobicContact CG2-CD1 3.46Å; V1068-L1166 VanDerWaalsContact CG2-CD1 3.46Å; V1068-L1166 HydrophobicContact CG2-CG 3.63Å; L1166-E1168 PolarHBondContact O-N 3.44Å | ||
| 1167 | N | 53.3 | Low | 63.4 | Low | 142 Ų | 142 | 72.3 Ų | 72.3 | 76% | 0.759 | 41% | 0.41 | S | S | * | . | trans | -75.6 | 95.3 | -169.7 | -71.2 | 6.8 | 0 | 0 | 0 | 111.8 | G1165 T1169 | G1165-N1167 PolarHBondContact O-N 3.41Å; N1167-T1169 PolarHBondContact O-N 2.75Å | ||
| 1168 | E | 45.4 | Very low | 62.8 | Low | 179 Ų | 179 | 73.5 Ų | 73.5 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -66.2 | -1.4 | 176.8 | -60.8 | -170.2 | 145.8 | 0 | 0 | 114.4 | L1166 | L1166-E1168 PolarHBondContact O-N 3.44Š|
| 1169 | T | 43.6 | Very low | 62.5 | Low | 85 Ų | 85 | 70.7 Ų | 70.7 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -117.9 | 124 | 167.6 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | N1167 K1171 | N1167-T1169 PolarHBondContact O-N 2.75Å; T1169-K1171 PolarHBondContact O-N 3.47Å |
| 1170 | P | 47.5 | Very low | 62 | Low | 81 Ų | 81 | 75 Ų | 75 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | trans | -78.9 | 42.5 | 174.9 | 35.6 | -37.9 | 0 | 0 | 0 | 110.9 | L1180 M1184 | P1170-L1180 HydrophobicContact CB-CD1 3.53Å; P1170-L1180 HydrophobicContact CG-CD1 3.65Å; P1170-L1180 HydrophobicContact CG-CD2 4.25Å; P1170-M1184 HydrophobicContact CB-CE 4.47Å | ||
| 1171 | K | 38.3 | Very low | 61.7 | Low | 161 Ų | 161 | 82.6 Ų | 82.6 | 70% | 0.7 | 47% | 0.468 | S | S | * | . | trans | -102.4 | 127.1 | -174.3 | -72 | -178.8 | 176.8 | 176.9 | 0 | 109.4 | T1169 | T1169-K1171 PolarHBondContact O-N 3.47Š| ||
| 1172 | T | 36.7 | Very low | 61.7 | Low | 135 Ų | 135 | 83.4 Ų | 83.4 | 83% | 0.828 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 65.8 | 111.4 | -175.6 | 13.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1173 | Q | 43.1 | Very low | 61.9 | Low | 167 Ų | 167 | 82.5 Ų | 82.5 | 78% | 0.78 | 46% | 0.457 | S | S | * | . | trans | 60.5 | 65 | 161.3 | -66.3 | 175.8 | -24.4 | 0 | 0 | 116.9 | ||||
| 1174 | A | 46.6 | Very low | 61.9 | Low | 62 Ų | 62 | 86 Ų | 86 | 51% | 0.512 | 47% | 0.474 | S | S | . | . | S | Bend | -71 | 122.8 | 118.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | G1176 | A1174-G1176 PolarHBondContact O-N 3.08Š| |
| 1175 | D | 47.5 | Very low | 62.4 | Low | 78 Ų | 78 | 88.7 Ų | 88.7 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | trans | -57.8 | 137.1 | 172.6 | -70.2 | -46.2 | 0 | 0 | 0 | 108.6 | F1177 | D1175-F1177 HydrophobicContact CB-CD1 4.44Å; D1175-F1177 VanDerWaalsContact O-CD1 3.23Å; D1175-F1177 WeakPolarHBondContact O-CD1 3.26Å; D1175-F1177 PolarHBondContact O-N 2.95Å | ||
| 1176 | G | 58.1 | Low | 63.1 | Low | 61 Ų | 61 | 88 Ų | 88 | 63% | 0.629 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 32.9 | -146.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | Q1025 A1174 | Q1025-G1176 PolarHBondContact NE2-O 2.88Å; A1174-G1176 PolarHBondContact O-N 3.08Å |
| 1177 | F | 74 | Confident | 64.4 | Low | 23 Ų | 23 | 86.3 Ų | 86.3 | 10% | 0.101 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -1.2 | -177.9 | 73.7 | -90 | 0 | 0 | 0 | 115.2 | Q1025 H1028 H1029 L1032 I1155 T1159 D1175 | Q1025-F1177 HydrophobicContact CB-CB 3.47Å; Q1025-F1177 VanDerWaalsContact CB-CB 3.47Å; Q1025-F1177 HydrophobicContact CG-CB 3.67Å; H1028-F1177 HydrophobicContact CB-CD2 3.92Å; H1028-F1177 HydrophobicContact CB-CE2 3.94Å; H1028-F1177 HydrophobicContact CB-CG 4.27Å; H1028-F1177 HydrophobicContact CB-CZ 4.29Å; H1029-F1177 HydrophobicContact CB-CD2 4.11Å; L1032-F1177 HydrophobicContact CD2-CE2 4.05Å; L1032-F1177 HydrophobicContact CD2-CZ 4.3Å; I1155-F1177 HydrophobicContact CG2-CE1 3.65Å; I1155-F1177 HydrophobicContact CG2-CZ 3.94Å; T1159-F1177 HydrophobicContact CG2-CZ 3.93Å; T1159-F1177 WeakPolarHBondContact OG1-CZ 3.38Å; D1175-F1177 HydrophobicContact CB-CD1 4.44Å; D1175-F1177 VanDerWaalsContact O-CD1 3.23Å; D1175-F1177 WeakPolarHBondContact O-CD1 3.26Å; D1175-F1177 PolarHBondContact O-N 2.95Å |
| 1178 | L | 73.9 | Confident | 65.8 | Low | 24 Ų | 24 | 83.1 Ų | 83.1 | 13% | 0.126 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -123.2 | 133.6 | -179.9 | -80.3 | 162.8 | 0 | 0 | 0 | 111 | H1029 L1032 T1159 Q1182 F1183 L1186 | H1029-L1178 VanDerWaalsContact ND1-CD2 3.26Å; H1029-L1178 WeakPolarHBondContact ND1-CD2 3.48Å; L1032-L1178 HydrophobicContact CD2-CD1 3.78Å; L1032-L1178 HydrophobicContact CD2-CD2 4.49Å; T1159-L1178 HydrophobicContact CG2-CD1 3.57Å; L1178-Q1182 HydrophobicContact CD2-CB 3.76Å; L1178-F1183 HydrophobicContact CD1-CD2 4.32Å; L1178-L1186 HydrophobicContact CD2-CD1 4.03Å |
| 1179 | S | 79.8 | Confident | 67.9 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | trans | -70.5 | 157 | 163.3 | 89.5 | 0 | 0 | 0 | 0 | 110.6 | E1181 Q1182 F1183 | S1179-E1181 PolarHBondContact O-N 2.91Å; S1179-E1181 PolarHBondContact OG-N 3.08Å; S1179-Q1182 PolarHBondContact O-N 3.29Å; S1179-Q1182 WeakPolarHBondContact OG-CG 3.47Å; S1179-Q1182 PolarHBondContact OG-N 3.2Å; S1179-F1183 WeakPolarHBondContact O-CB 3.32Å; S1179-F1183 PolarHBondContact O-N 3.25Å | ||
| 1180 | L | 75.4 | Confident | 69.8 | Low | 102 Ų | 102 | 73.9 Ų | 73.9 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.2 | -36.9 | 175.5 | 177.6 | 57.5 | 0 | 0 | 0 | 111.9 | P1170 M1184 | P1170-L1180 HydrophobicContact CB-CD1 3.53Å; P1170-L1180 HydrophobicContact CG-CD1 3.65Å; P1170-L1180 HydrophobicContact CG-CD2 4.25Å; L1180-M1184 HydrophobicContact CD1-CE 3.81Å; L1180-M1184 HydrophobicContact CD1-CG 4.06Å; L1180-M1184 WeakPolarHBondContact O-CB 3.42Å; L1180-M1184 VanDerWaalsContact O-CG 3.26Å; L1180-M1184 WeakPolarHBondContact O-CG 3.49Å; L1180-M1184 PolarHBondContact O-N 3.3Å |
| 1181 | E | 80.9 | Confident | 71.4 | Confident | 161 Ų | 161 | 71 Ų | 71 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68.3 | -45.2 | 177.6 | -174.4 | 176.8 | -166.6 | 0 | 0 | 111.9 | S1179 F1183 M1184 S1185 | S1179-E1181 PolarHBondContact O-N 2.91Å; S1179-E1181 PolarHBondContact OG-N 3.08Å; E1181-F1183 VanDerWaalsContact C-N 3.34Å; E1181-F1183 PolarHBondContact O-N 3.28Å; E1181-M1184 PolarHBondContact O-N 3.43Å; E1181-S1185 VanDerWaalsContact O-CB 3.27Å; E1181-S1185 WeakPolarHBondContact O-CB 3.34Å; E1181-S1185 PolarHBondContact O-N 2.88Å |
| 1182 | Q | 82.6 | Confident | 73.5 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.3 | -72.4 | 169 | -32.4 | 0 | 0 | 111.5 | H1029 L1178 S1179 S1185 L1186 | H1029-Q1182 PolarHBondContact NE2-NE2 3.45Å; L1178-Q1182 HydrophobicContact CD2-CB 3.76Å; S1179-Q1182 PolarHBondContact O-N 3.29Å; S1179-Q1182 WeakPolarHBondContact OG-CG 3.47Å; S1179-Q1182 PolarHBondContact OG-N 3.2Å; Q1182-S1185 PolarHBondContact O-N 3.47Å; Q1182-L1186 WeakPolarHBondContact O-CG 3.42Å; Q1182-L1186 PolarHBondContact O-N 3Å |
| 1183 | F | 84.7 | Confident | 75.8 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 177 | -177.2 | -86.1 | 0 | 0 | 0 | 111.6 | A1162 L1163 L1178 S1179 E1181 S1185 L1186 R1187 | A1162-F1183 HydrophobicContact CB-CE2 4.44Å; L1163-F1183 HydrophobicContact CD2-CD1 4.32Å; L1163-F1183 HydrophobicContact CD2-CD2 3.56Å; L1163-F1183 HydrophobicContact CD2-CE1 4.41Å; L1163-F1183 HydrophobicContact CD2-CE2 3.68Å; L1163-F1183 HydrophobicContact CD2-CG 3.9Å; L1163-F1183 HydrophobicContact CD2-CZ 4.11Å; L1163-F1183 VanDerWaalsContact CD2-O 3.23Å; L1163-F1183 WeakPolarHBondContact CD2-O 3.49Å; L1163-F1183 HydrophobicContact CG-CD2 4.25Å; L1163-F1183 HydrophobicContact CG-CE2 3.99Å; L1178-F1183 HydrophobicContact CD1-CD2 4.32Å; S1179-F1183 WeakPolarHBondContact O-CB 3.32Å; S1179-F1183 PolarHBondContact O-N 3.25Å; E1181-F1183 VanDerWaalsContact C-N 3.34Å; E1181-F1183 PolarHBondContact O-N 3.28Å; F1183-S1185 VanDerWaalsContact C-N 3.35Å; F1183-S1185 PolarHBondContact O-N 3.1Å; F1183-L1186 PolarHBondContact O-N 3.27Å; F1183-R1187 VanDerWaalsContact O-CB 3.23Å; F1183-R1187 WeakPolarHBondContact O-CB 3.33Å; F1183-R1187 PolarHBondContact O-N 3.1Å |
| 1184 | M | 83.2 | Confident | 77.9 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 179.1 | -68.6 | -62 | 177.1 | 0 | 0 | 112.5 | P1170 L1180 E1181 T1188 | P1170-M1184 HydrophobicContact CB-CE 4.47Å; L1180-M1184 HydrophobicContact CD1-CE 3.81Å; L1180-M1184 HydrophobicContact CD1-CG 4.06Å; L1180-M1184 WeakPolarHBondContact O-CB 3.42Å; L1180-M1184 VanDerWaalsContact O-CG 3.26Å; L1180-M1184 WeakPolarHBondContact O-CG 3.49Å; L1180-M1184 PolarHBondContact O-N 3.3Å; E1181-M1184 PolarHBondContact O-N 3.43Å; M1184-T1188 WeakPolarHBondContact O-CB 3.16Å; M1184-T1188 PolarHBondContact O-N 3.33Å; M1184-T1188 PolarHBondContact O-OG1 3.02Å |
| 1185 | S | 86.3 | Confident | 79.5 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.1 | -56.9 | 172.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | E1181 Q1182 F1183 R1187 T1188 R1189 | E1181-S1185 VanDerWaalsContact O-CB 3.27Å; E1181-S1185 WeakPolarHBondContact O-CB 3.34Å; E1181-S1185 PolarHBondContact O-N 2.88Å; Q1182-S1185 PolarHBondContact O-N 3.47Å; F1183-S1185 VanDerWaalsContact C-N 3.35Å; F1183-S1185 PolarHBondContact O-N 3.1Å; S1185-R1187 VanDerWaalsContact C-N 3.29Å; S1185-R1187 PolarHBondContact O-N 2.98Å; S1185-T1188 PolarHBondContact O-N 3.39Å; S1185-T1188 VanDerWaalsContact O-N 3.09Å; S1185-R1189 WeakPolarHBondContact O-CG 3.3Å; S1185-R1189 PolarHBondContact O-N 2.81Å |
| 1186 | L | 85.2 | Confident | 81.1 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 178.7 | -69 | 171.6 | 0 | 0 | 0 | 112.3 | L1032 V1036 L1163 L1178 Q1182 F1183 L1190 | L1032-L1186 HydrophobicContact CD2-CD1 3.98Å; L1032-L1186 HydrophobicContact CG-CD1 4.33Å; V1036-L1186 HydrophobicContact CB-CD2 4.23Å; V1036-L1186 HydrophobicContact CG1-CD2 4.14Å; V1036-L1186 HydrophobicContact CG2-CD2 4.24Å; L1163-L1186 HydrophobicContact CD1-CB 4.06Å; L1163-L1186 HydrophobicContact CD1-CD1 4.49Å; L1163-L1186 HydrophobicContact CD2-CB 3.85Å; L1178-L1186 HydrophobicContact CD2-CD1 4.03Å; Q1182-L1186 WeakPolarHBondContact O-CG 3.42Å; Q1182-L1186 PolarHBondContact O-N 3Å; F1183-L1186 PolarHBondContact O-N 3.27Å; L1186-L1190 WeakPolarHBondContact O-CG 3.4Å; L1186-L1190 PolarHBondContact O-N 3.34Å |
| 1187 | R | 85.5 | Confident | 82.4 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 173.6 | 169 | 172.3 | -176.2 | 91.5 | -9.9 | 112.2 | L1163 V1164 G1165 F1183 S1185 L1190 L1191 | L1163-R1187 HydrophobicContact CD2-CB 4.14Å; L1163-R1187 WeakPolarHBondContact O-CB 3.17Å; L1163-R1187 WeakPolarHBondContact O-CD 3.44Å; L1163-R1187 WeakPolarHBondContact O-CG 3.49Å; L1163-R1187 PolarHBondContact O-NH1 2.86Å; V1164-R1187 VanDerWaalsContact C-NH1 3.28Å; V1164-R1187 PolarHBondContact O-NH1 2.9Å; G1165-R1187 VanDerWaalsContact O-CZ 3.26Å; G1165-R1187 PolarHBondContact O-NH1 3.36Å; G1165-R1187 PolarHBondContact O-NH2 3.29Å; F1183-R1187 VanDerWaalsContact O-CB 3.23Å; F1183-R1187 WeakPolarHBondContact O-CB 3.33Å; F1183-R1187 PolarHBondContact O-N 3.1Å; S1185-R1187 VanDerWaalsContact C-N 3.29Å; S1185-R1187 PolarHBondContact O-N 2.98Å; R1187-L1190 PolarHBondContact O-N 3.26Å; R1187-L1191 HydrophobicContact CG-CD1 3.73Å; R1187-L1191 HydrophobicContact CG-CG 4.48Å; R1187-L1191 WeakPolarHBondContact O-CB 3.16Å; R1187-L1191 WeakPolarHBondContact O-CG 3.42Å; R1187-L1191 PolarHBondContact O-N 3.39Å |
| 1188 | T | 84.4 | Confident | 83 | Confident | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | -178.9 | -59 | 0 | 0 | 0 | 0 | 110.9 | M1184 S1185 L1191 N1192 | M1184-T1188 WeakPolarHBondContact O-CB 3.16Å; M1184-T1188 PolarHBondContact O-N 3.33Å; M1184-T1188 PolarHBondContact O-OG1 3.02Å; S1185-T1188 PolarHBondContact O-N 3.39Å; S1185-T1188 VanDerWaalsContact O-N 3.09Å; T1188-L1191 PolarHBondContact O-N 3.02Å; T1188-N1192 WeakPolarHBondContact O-CB 3.34Å; T1188-N1192 PolarHBondContact O-N 2.89Å |
| 1189 | R | 88 | Confident | 83.4 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 25% | 0.249 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -50.5 | 174.6 | -66.9 | -170.4 | 61.2 | -148.6 | -4.5 | 112.2 | D1037 I1040 S1185 L1191 N1192 E1193 | D1037-R1189 IonicContact OD1-CZ 2.65Å; D1037-R1189 VanDerWaalsContact OD1-CZ 3.24Å; D1037-R1189 IonicContact OD1-NH1 3.46Å; D1037-R1189 PolarHBondContact OD1-NH1 2.98Å; D1037-R1189 IonicContact OD1-NH2 2.7Å; D1037-R1189 PolarHBondContact OD1-NH2 3.34Å; I1040-R1189 HydrophobicContact CD1-CB 3.96Å; S1185-R1189 WeakPolarHBondContact O-CG 3.3Å; S1185-R1189 PolarHBondContact O-N 2.81Å; R1189-L1191 PolarHBondContact O-N 3.17Å; R1189-N1192 PolarHBondContact O-N 3.09Å; R1189-E1193 WeakPolarHBondContact CA-OE1 3.39Å; R1189-E1193 WeakPolarHBondContact CB-OE1 3.38Å; R1189-E1193 WeakPolarHBondContact CG-OE1 3.44Å; R1189-E1193 IonicContact NE-OE1 3.48Å; R1189-E1193 PolarHBondContact NE-OE1 3.4Å; R1189-E1193 VanDerWaalsContact O-CB 3.27Å; R1189-E1193 WeakPolarHBondContact O-CB 3.21Å; R1189-E1193 PolarHBondContact O-N 3.07Å |
| 1190 | L | 84.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -60.8 | -42 | 177 | -75.7 | 170.5 | 0 | 0 | 0 | 113.3 | V1036 F1075 L1160 L1163 V1164 L1186 R1187 F1194 R1195 | V1036-L1190 HydrophobicContact CG1-CD2 4.05Å; V1036-L1190 HydrophobicContact CG1-CG 4.02Å; V1036-L1190 HydrophobicContact CG2-CD1 4Å; V1036-L1190 HydrophobicContact CG2-CD2 4.19Å; V1036-L1190 HydrophobicContact CG2-CG 4.16Å; F1075-L1190 HydrophobicContact CZ-CD2 4.38Å; L1160-L1190 HydrophobicContact CD2-CD1 4.31Å; L1163-L1190 HydrophobicContact CB-CD1 4.09Å; L1163-L1190 HydrophobicContact CD1-CD1 4.1Å; V1164-L1190 HydrophobicContact CG2-CD1 4.21Å; L1186-L1190 WeakPolarHBondContact O-CG 3.4Å; L1186-L1190 PolarHBondContact O-N 3.34Å; R1187-L1190 PolarHBondContact O-N 3.26Å; L1190-F1194 HydrophobicContact CD2-CB 4.27Å; L1190-F1194 HydrophobicContact CD2-CD1 4.34Å; L1190-F1194 HydrophobicContact CD2-CG 4.39Å; L1190-F1194 WeakPolarHBondContact O-CB 3.2Å; L1190-F1194 PolarHBondContact O-N 3.04Å; L1190-R1195 PolarHBondContact O-N 3.37Å |
| 1191 | L | 80 | Confident | 84.2 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -74 | -27 | -177.4 | -75.3 | 172.9 | 0 | 0 | 0 | 114.1 | V1164 R1187 T1188 R1189 | V1164-L1191 HydrophobicContact CG1-CD2 3.53Å; V1164-L1191 HydrophobicContact CG1-CG 4.24Å; R1187-L1191 HydrophobicContact CG-CD1 3.73Å; R1187-L1191 HydrophobicContact CG-CG 4.48Å; R1187-L1191 WeakPolarHBondContact O-CB 3.16Å; R1187-L1191 WeakPolarHBondContact O-CG 3.42Å; R1187-L1191 PolarHBondContact O-N 3.39Å; T1188-L1191 PolarHBondContact O-N 3.02Å; R1189-L1191 PolarHBondContact O-N 3.17Å |
| 1192 | N | 81.9 | Confident | 84.5 | Confident | 95 Ų | 95 | 46.8 Ų | 46.8 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -100.2 | -48.7 | -177.9 | -65.8 | -12.8 | 0 | 0 | 0 | 112.6 | T1188 R1189 I1196 | T1188-N1192 WeakPolarHBondContact O-CB 3.34Å; T1188-N1192 PolarHBondContact O-N 2.89Å; R1189-N1192 PolarHBondContact O-N 3.09Å; N1192-I1196 WeakPolarHBondContact O-CD1 3.28Å; N1192-I1196 WeakPolarHBondContact O-CG1 3.27Å |
| 1193 | E | 86.7 | Confident | 85 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -84.9 | -40.3 | -172.7 | -56.2 | 174.9 | -112.3 | 0 | 0 | 112.3 | I1040 R1189 P1197 | I1040-E1193 HydrophobicContact CD1-CB 4.09Å; I1040-E1193 HydrophobicContact CG1-CB 4.06Å; I1040-E1193 HydrophobicContact CG2-CB 3.95Å; I1040-E1193 WeakPolarHBondContact CG2-OE2 3.48Å; R1189-E1193 WeakPolarHBondContact CA-OE1 3.39Å; R1189-E1193 WeakPolarHBondContact CB-OE1 3.38Å; R1189-E1193 WeakPolarHBondContact CG-OE1 3.44Å; R1189-E1193 IonicContact NE-OE1 3.48Å; R1189-E1193 PolarHBondContact NE-OE1 3.4Å; R1189-E1193 VanDerWaalsContact O-CB 3.27Å; R1189-E1193 WeakPolarHBondContact O-CB 3.21Å; R1189-E1193 PolarHBondContact O-N 3.07Å; E1193-P1197 VanDerWaalsContact O-CD 3.25Å; E1193-P1197 WeakPolarHBondContact O-CD 3.25Å; E1193-P1197 WeakPolarHBondContact O-CG 3.46Å |
| 1194 | F | 86.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -93.1 | -42.8 | -173.9 | 176.8 | -101.4 | 0 | 0 | 0 | 113.7 | W918 L1039 I1040 V1043 V1074 F1075 L1079 L1190 I1198 | W918-F1194 HydrophobicContact CH2-CE2 4.06Å; W918-F1194 HydrophobicContact CH2-CZ 4.11Å; W918-F1194 HydrophobicContact CZ2-CE2 4.15Å; L1039-F1194 HydrophobicContact CB-CD2 3.92Å; L1039-F1194 HydrophobicContact CB-CE2 3.81Å; L1039-F1194 HydrophobicContact CB-CZ 4.48Å; L1039-F1194 HydrophobicContact CD2-CE2 3.8Å; L1039-F1194 HydrophobicContact CD2-CZ 3.91Å; L1039-F1194 HydrophobicContact CG-CE2 4.33Å; L1039-F1194 VanDerWaalsContact O-CD2 3.27Å; L1039-F1194 WeakPolarHBondContact O-CD2 3.36Å; L1039-F1194 WeakPolarHBondContact O-CE2 3.47Å; I1040-F1194 HydrophobicContact CG1-CB 4Å; V1043-F1194 HydrophobicContact CB-CD2 4.04Å; V1043-F1194 HydrophobicContact CG2-CD2 3.68Å; V1043-F1194 HydrophobicContact CG2-CE2 4.17Å; V1043-F1194 HydrophobicContact CG2-CG 4.35Å; V1043-F1194 VanDerWaalsContact CG2-O 3.26Å; V1043-F1194 WeakPolarHBondContact CG2-O 3.27Å; V1074-F1194 HydrophobicContact CG1-CE1 3.96Å; V1074-F1194 HydrophobicContact CG1-CZ 4.26Å; F1075-F1194 HydrophobicContact CE1-CE1 4.48Å; F1075-F1194 HydrophobicContact CE2-CD1 4.25Å; F1075-F1194 AromaticContact CE2-CE1 3.84Å; F1075-F1194 HydrophobicContact CE2-CE1 3.84Å; F1075-F1194 AromaticContact CZ-CD1 3.86Å; F1075-F1194 HydrophobicContact CZ-CD1 3.86Å; F1075-F1194 AromaticContact CZ-CE1 3.51Å; F1075-F1194 HydrophobicContact CZ-CE1 3.51Å; L1079-F1194 HydrophobicContact CD1-CE1 4.41Å; L1079-F1194 HydrophobicContact CD1-CZ 4.14Å; L1190-F1194 HydrophobicContact CD2-CB 4.27Å; L1190-F1194 HydrophobicContact CD2-CD1 4.34Å; L1190-F1194 HydrophobicContact CD2-CG 4.39Å; L1190-F1194 WeakPolarHBondContact O-CB 3.2Å; L1190-F1194 PolarHBondContact O-N 3.04Å; F1194-I1198 HydrophobicContact CD1-CD1 4.25Å; F1194-I1198 HydrophobicContact CD2-CD1 4.01Å; F1194-I1198 HydrophobicContact CE1-CD1 3.71Å; F1194-I1198 HydrophobicContact CE2-CD1 3.44Å; F1194-I1198 VanDerWaalsContact CE2-CD1 3.44Å; F1194-I1198 HydrophobicContact CG-CD1 4.39Å; F1194-I1198 HydrophobicContact CZ-CD1 3.27Å |
| 1195 | R | 81.4 | Confident | 85.5 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -48.1 | -179 | 164.3 | 172.7 | 165.9 | -86.5 | 4.4 | 113 | S1066 N1067 V1070 L1190 I1198 T1199 | S1066-R1195 PolarHBondContact OG-NH2 3.18Å; N1067-R1195 PolarHBondContact OD1-NE 3.05Å; N1067-R1195 VanDerWaalsContact OD1-NE 3.08Å; N1067-R1195 PolarHBondContact OD1-NH2 2.95Å; V1070-R1195 HydrophobicContact CG1-CG 4.23Å; L1190-R1195 PolarHBondContact O-N 3.37Å; R1195-I1198 PolarHBondContact O-N 3.4Å; R1195-I1198 VanDerWaalsContact O-N 3.11Å; R1195-T1199 PolarHBondContact O-N 3.1Å; R1195-T1199 PolarHBondContact O-OG1 3.15Å |
| 1196 | I | 80.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | -168.6 | -60 | -179.1 | 0 | 0 | 0 | 112.5 | N1192 I1198 S1200 | N1192-I1196 WeakPolarHBondContact O-CD1 3.28Å; N1192-I1196 WeakPolarHBondContact O-CG1 3.27Å; I1196-I1198 PolarHBondContact O-N 3.03Å; I1196-S1200 VanDerWaalsContact O-CB 3.31Å; I1196-S1200 WeakPolarHBondContact O-CB 3.42Å; I1196-S1200 PolarHBondContact O-N 3.24Å; I1196-S1200 PolarHBondContact O-OG 2.96Å |
| 1197 | P | 84.7 | Confident | 85.9 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.1 | -28 | 176.5 | -20.3 | 33.7 | 0 | 0 | 0 | 114.5 | V1043 R1051 E1193 S1200 | V1043-P1197 HydrophobicContact CG1-CB 4.28Å; V1043-P1197 HydrophobicContact CG1-CG 4.03Å; V1043-P1197 HydrophobicContact CG2-CB 3.95Å; V1043-P1197 HydrophobicContact CG2-CG 4.11Å; R1051-P1197 WeakPolarHBondContact CD-O 3.42Å; R1051-P1197 PolarHBondContact NH1-O 3.29Å; E1193-P1197 VanDerWaalsContact O-CD 3.25Å; E1193-P1197 WeakPolarHBondContact O-CD 3.25Å; E1193-P1197 WeakPolarHBondContact O-CG 3.46Å; P1197-S1200 PolarHBondContact O-OG 3.42Å |
| 1198 | I | 86.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.4 | -24.9 | -178.1 | -75 | 178.1 | 0 | 0 | 0 | 112.2 | V1043 F1046 R1051 Y1054 V1074 F1194 R1195 I1196 | V1043-I1198 HydrophobicContact CG2-CD1 3.87Å; V1043-I1198 HydrophobicContact CG2-CG1 3.7Å; F1046-I1198 HydrophobicContact CB-CG1 4.27Å; F1046-I1198 HydrophobicContact CD1-CG1 4.21Å; F1046-I1198 HydrophobicContact CD1-CG2 4.39Å; F1046-I1198 HydrophobicContact CD2-CD1 4.09Å; F1046-I1198 HydrophobicContact CD2-CG1 4.41Å; F1046-I1198 HydrophobicContact CE1-CG2 4.19Å; F1046-I1198 HydrophobicContact CE2-CD1 4.45Å; F1046-I1198 HydrophobicContact CG-CD1 4.23Å; F1046-I1198 HydrophobicContact CG-CG1 4.03Å; R1051-I1198 VanDerWaalsContact CG-O 3.29Å; R1051-I1198 WeakPolarHBondContact CG-O 3.31Å; Y1054-I1198 HydrophobicContact CD2-CG2 3.67Å; Y1054-I1198 HydrophobicContact CE2-CG2 4.25Å; V1074-I1198 HydrophobicContact CG2-CG2 4.12Å; F1194-I1198 HydrophobicContact CD1-CD1 4.25Å; F1194-I1198 HydrophobicContact CD2-CD1 4.01Å; F1194-I1198 HydrophobicContact CE1-CD1 3.71Å; F1194-I1198 HydrophobicContact CE2-CD1 3.44Å; F1194-I1198 VanDerWaalsContact CE2-CD1 3.44Å; F1194-I1198 HydrophobicContact CG-CD1 4.39Å; F1194-I1198 HydrophobicContact CZ-CD1 3.27Å; R1195-I1198 PolarHBondContact O-N 3.4Å; R1195-I1198 VanDerWaalsContact O-N 3.11Å; I1196-I1198 PolarHBondContact O-N 3.03Å |
| 1199 | T | 82.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -121.4 | -3.3 | -172.3 | 76.2 | 0 | 0 | 0 | 0 | 114.3 | Q1058 V1070 R1195 | Q1058-T1199 PolarHBondContact OE1-O 3.22Å; Q1058-T1199 VanDerWaalsContact OE1-O 3.09Å; Q1058-T1199 PolarHBondContact OE1-OG1 2.53Å; V1070-T1199 HydrophobicContact CB-CG2 4.41Å; V1070-T1199 HydrophobicContact CG1-CG2 3.72Å; V1070-T1199 HydrophobicContact CG2-CG2 3.71Å; R1195-T1199 PolarHBondContact O-N 3.1Å; R1195-T1199 PolarHBondContact O-OG1 3.15Å |
| 1200 | S | 85.2 | Confident | 86.5 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -64.2 | 150.6 | 169.7 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | R1051 I1196 P1197 | R1051-S1200 PolarHBondContact NH1-O 3.47Å; R1051-S1200 PolarHBondContact NH1-OG 2.61Å; I1196-S1200 VanDerWaalsContact O-CB 3.31Å; I1196-S1200 WeakPolarHBondContact O-CB 3.42Å; I1196-S1200 PolarHBondContact O-N 3.24Å; I1196-S1200 PolarHBondContact O-OG 2.96Å; P1197-S1200 PolarHBondContact O-OG 3.42Å |
| 1201 | P | 85.9 | Confident | 86.6 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 151 | 171.5 | -27.8 | 36.1 | 0 | 0 | 0 | 113.2 | R1051 S1055 | R1051-P1201 PolarHBondContact NH2-O 3.37Å; S1055-P1201 WeakPolarHBondContact OG-CA 3.38Å |
| 1202 | L | 88.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 136.2 | 172.4 | -82.3 | 66.6 | 0 | 0 | 0 | 109.9 | L1048 R1051 W1052 E1206 I1207 L1210 | L1048-L1202 HydrophobicContact CB-CD2 4.46Å; L1048-L1202 HydrophobicContact CD2-CD2 4.46Å; R1051-L1202 HydrophobicContact CB-CD1 4.4Å; W1052-L1202 HydrophobicContact CB-CD1 4.03Å; W1052-L1202 HydrophobicContact CB-CD2 4.15Å; L1202-E1206 HydrophobicContact CB-CB 4.04Å; L1202-E1206 HydrophobicContact CD2-CB 4.19Å; L1202-E1206 HydrophobicContact CG-CB 4.06Å; L1202-I1207 HydrophobicContact CB-CG1 3.86Å; L1202-L1210 HydrophobicContact CD2-CB 4.39Å; L1202-L1210 HydrophobicContact CD2-CD2 3.87Å |
| 1203 | S | 91.4 | Very high | 87.1 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 158.3 | 169.3 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | N1205 E1206 I1207 | S1203-N1205 PolarHBondContact O-N 3.41Å; S1203-E1206 VanDerWaalsContact CB-OE2 3.28Å; S1203-E1206 WeakPolarHBondContact CB-OE2 3.28Å; S1203-E1206 PolarHBondContact N-OE2 2.85Å; S1203-E1206 PolarHBondContact O-N 3.34Å; S1203-E1206 WeakPolarHBondContact OG-CG 3.47Å; S1203-E1206 PolarHBondContact OG-N 2.75Å; S1203-E1206 PolarHBondContact OG-OE2 2.73Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.35Å; S1203-I1207 PolarHBondContact O-N 3.47Å |
| 1204 | A | 88.1 | Confident | 86.8 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 65% | 0.653 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.3 | -19.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1205 | N | 91.2 | Very high | 86.3 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -80.9 | -40.7 | 172.3 | -172.8 | 81.2 | 0 | 0 | 0 | 112.3 | S1203 I1207 K1208 Q1209 | S1203-N1205 PolarHBondContact O-N 3.41Å; N1205-I1207 VanDerWaalsContact C-N 3.32Å; N1205-K1208 PolarHBondContact O-N 3.48Å; N1205-Q1209 PolarHBondContact ND2-NE2 2.93Å; N1205-Q1209 WeakPolarHBondContact O-CG 3.48Å; N1205-Q1209 PolarHBondContact O-N 2.85Å; N1205-Q1209 VanDerWaalsContact O-N 3.12Å |
| 1206 | E | 90.3 | Very high | 86.2 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.6 | -30.6 | 175.5 | -68.6 | 165.3 | 97.4 | 0 | 0 | 112.2 | L1048 R1051 L1202 S1203 Q1209 L1210 | L1048-E1206 HydrophobicContact CD1-CB 4.25Å; L1048-E1206 HydrophobicContact CD2-CB 4.16Å; L1048-E1206 HydrophobicContact CD2-CG 4.15Å; R1051-E1206 IonicContact CZ-OE1 2.77Å; R1051-E1206 IonicContact NE-OE1 2.63Å; R1051-E1206 PolarHBondContact NE-OE1 3.04Å; R1051-E1206 VanDerWaalsContact NH2-CD 3.33Å; R1051-E1206 IonicContact NH2-OE1 3.1Å; R1051-E1206 PolarHBondContact NH2-OE1 3.3Å; R1051-E1206 IonicContact NH2-OE2 2.64Å; R1051-E1206 PolarHBondContact NH2-OE2 2.82Å; L1202-E1206 HydrophobicContact CB-CB 4.04Å; L1202-E1206 HydrophobicContact CD2-CB 4.19Å; L1202-E1206 HydrophobicContact CG-CB 4.06Å; S1203-E1206 VanDerWaalsContact CB-OE2 3.28Å; S1203-E1206 WeakPolarHBondContact CB-OE2 3.28Å; S1203-E1206 PolarHBondContact N-OE2 2.85Å; S1203-E1206 PolarHBondContact O-N 3.34Å; S1203-E1206 WeakPolarHBondContact OG-CG 3.47Å; S1203-E1206 PolarHBondContact OG-N 2.75Å; S1203-E1206 PolarHBondContact OG-OE2 2.73Å; E1206-Q1209 PolarHBondContact O-N 2.94Å; E1206-L1210 WeakPolarHBondContact O-CB 3.42Å; E1206-L1210 PolarHBondContact O-N 3.36Å |
| 1207 | I | 90 | Very high | 86.2 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 172.2 | -66.2 | 171.7 | 0 | 0 | 0 | 110.2 | L1202 S1203 N1205 Q1209 L1210 E1211 | L1202-I1207 HydrophobicContact CB-CG1 3.86Å; S1203-I1207 WeakPolarHBondContact O-CG1 3.35Å; S1203-I1207 PolarHBondContact O-N 3.47Å; N1205-I1207 VanDerWaalsContact C-N 3.32Å; I1207-Q1209 VanDerWaalsContact C-N 3.32Å; I1207-Q1209 PolarHBondContact O-N 3.44Å; I1207-L1210 WeakPolarHBondContact O-CA 3.35Å; I1207-L1210 WeakPolarHBondContact O-CB 3.38Å; I1207-L1210 PolarHBondContact O-N 2.82Å; I1207-L1210 VanDerWaalsContact O-N 3.1Å; I1207-E1211 WeakPolarHBondContact O-CG 3.36Å; I1207-E1211 PolarHBondContact O-N 2.83Å |
| 1208 | K | 88.9 | Confident | 85.7 | Confident | 131 Ų | 131 | 60.1 Ų | 60.1 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.3 | -35.9 | 174.7 | -69 | -178.8 | 177.7 | -171.2 | 0 | 113.5 | N1205 L1210 E1211 Q1212 | N1205-K1208 PolarHBondContact O-N 3.48Å; K1208-L1210 VanDerWaalsContact C-N 3.35Å; K1208-E1211 WeakPolarHBondContact CA-OE2 3.31Å; K1208-Q1212 WeakPolarHBondContact O-CG 3.25Å; K1208-Q1212 PolarHBondContact O-N 3.45Å; K1208-Q1212 VanDerWaalsContact O-N 3.15Å |
| 1209 | Q | 90.6 | Very high | 84.8 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 41% | 0.407 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 173.5 | -69.9 | 173.7 | -20.4 | 0 | 0 | 111.5 | L1048 N1205 E1206 I1207 Q1212 L1213 | L1048-Q1209 HydrophobicContact CD1-CB 3.69Å; N1205-Q1209 PolarHBondContact ND2-NE2 2.93Å; N1205-Q1209 WeakPolarHBondContact O-CG 3.48Å; N1205-Q1209 PolarHBondContact O-N 2.85Å; N1205-Q1209 VanDerWaalsContact O-N 3.12Å; E1206-Q1209 PolarHBondContact O-N 2.94Å; I1207-Q1209 VanDerWaalsContact C-N 3.32Å; I1207-Q1209 PolarHBondContact O-N 3.44Å; Q1209-Q1212 PolarHBondContact O-N 2.91Å; Q1209-L1213 VanDerWaalsContact O-CG 3.3Å; Q1209-L1213 WeakPolarHBondContact O-CG 3.49Å; Q1209-L1213 PolarHBondContact O-N 3.19Å; Q1209-L1213 VanDerWaalsContact O-N 3.09Å |
| 1210 | L | 90.4 | Very high | 84 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.047 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 173.5 | -179.6 | 59.9 | 0 | 0 | 0 | 111.4 | L877 L1048 Q1049 W1052 L1202 E1206 I1207 K1208 Q1212 L1213 Y1214 | L877-L1210 HydrophobicContact CD1-CD1 4.11Å; L1048-L1210 HydrophobicContact CB-CD1 4.39Å; Q1049-L1210 HydrophobicContact CB-CD1 4.19Å; Q1049-L1210 HydrophobicContact CG-CD1 3.74Å; W1052-L1210 HydrophobicContact CB-CD2 3.81Å; W1052-L1210 HydrophobicContact CD2-CD2 4.42Å; W1052-L1210 HydrophobicContact CG-CD2 3.75Å; L1202-L1210 HydrophobicContact CD2-CB 4.39Å; L1202-L1210 HydrophobicContact CD2-CD2 3.87Å; E1206-L1210 WeakPolarHBondContact O-CB 3.42Å; E1206-L1210 PolarHBondContact O-N 3.36Å; I1207-L1210 WeakPolarHBondContact O-CA 3.35Å; I1207-L1210 WeakPolarHBondContact O-CB 3.38Å; I1207-L1210 PolarHBondContact O-N 2.82Å; I1207-L1210 VanDerWaalsContact O-N 3.1Å; K1208-L1210 VanDerWaalsContact C-N 3.35Å; L1210-Q1212 VanDerWaalsContact C-N 3.34Å; L1210-Q1212 PolarHBondContact O-N 3.49Å; L1210-L1213 WeakPolarHBondContact O-CB 3.31Å; L1210-L1213 PolarHBondContact O-N 3.07Å; L1210-L1213 VanDerWaalsContact O-N 3.08Å; L1210-Y1214 HydrophobicContact CD1-CD2 3.96Å; L1210-Y1214 HydrophobicContact CD1-CE2 3.86Å; L1210-Y1214 HydrophobicContact CD2-CE2 4.33Å; L1210-Y1214 HydrophobicContact CG-CD2 4.02Å; L1210-Y1214 HydrophobicContact CG-CE2 3.84Å; L1210-Y1214 WeakPolarHBondContact O-CD2 3.22Å; L1210-Y1214 PolarHBondContact O-N 3.45Å |
| 1211 | E | 87.3 | Confident | 83.2 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.7 | -44.3 | 174.5 | -70.3 | 163.6 | 169.6 | 0 | 0 | 111.8 | I1207 K1208 L1213 Y1214 E1215 | I1207-E1211 WeakPolarHBondContact O-CG 3.36Å; I1207-E1211 PolarHBondContact O-N 2.83Å; K1208-E1211 WeakPolarHBondContact CA-OE2 3.31Å; E1211-L1213 VanDerWaalsContact C-N 3.33Å; E1211-L1213 PolarHBondContact O-N 3.32Å; E1211-Y1214 WeakPolarHBondContact O-CB 3.46Å; E1211-Y1214 PolarHBondContact O-N 3.1Å; E1211-E1215 PolarHBondContact O-N 3.44Å; E1211-E1215 VanDerWaalsContact O-N 3.09Å |
| 1212 | Q | 86.8 | Confident | 82.2 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 58% | 0.575 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.1 | -32.7 | 174.9 | -71 | 174.7 | -8.4 | 0 | 0 | 113.4 | K1208 Q1209 L1210 T1216 | K1208-Q1212 WeakPolarHBondContact O-CG 3.25Å; K1208-Q1212 PolarHBondContact O-N 3.45Å; K1208-Q1212 VanDerWaalsContact O-N 3.15Å; Q1209-Q1212 PolarHBondContact O-N 2.91Å; L1210-Q1212 VanDerWaalsContact C-N 3.34Å; L1210-Q1212 PolarHBondContact O-N 3.49Å; Q1212-T1216 WeakPolarHBondContact O-CB 3.48Å; Q1212-T1216 PolarHBondContact O-N 2.91Å; Q1212-T1216 PolarHBondContact O-OG1 2.91Å |
| 1213 | L | 86.5 | Confident | 80.4 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 173.9 | -71.9 | 166.8 | 0 | 0 | 0 | 111.5 | L1048 Q1209 L1210 E1211 T1216 D1217 | L1048-L1213 HydrophobicContact CB-CD1 4.4Å; Q1209-L1213 VanDerWaalsContact O-CG 3.3Å; Q1209-L1213 WeakPolarHBondContact O-CG 3.49Å; Q1209-L1213 PolarHBondContact O-N 3.19Å; Q1209-L1213 VanDerWaalsContact O-N 3.09Å; L1210-L1213 WeakPolarHBondContact O-CB 3.31Å; L1210-L1213 PolarHBondContact O-N 3.07Å; L1210-L1213 VanDerWaalsContact O-N 3.08Å; E1211-L1213 VanDerWaalsContact C-N 3.33Å; E1211-L1213 PolarHBondContact O-N 3.32Å; L1213-T1216 PolarHBondContact O-N 3.31Å; L1213-D1217 WeakPolarHBondContact O-CB 3.25Å; L1213-D1217 PolarHBondContact O-N 2.88Å |
| 1214 | Y | 79.5 | Confident | 78.7 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.2 | -56.2 | 172.2 | -96.5 | -112.6 | 0 | 0 | 0 | 111.5 | N874 H876 L877 L1210 E1211 T1216 D1217 A1218 | N874-Y1214 HydrophobicContact CB-CD1 3.96Å; N874-Y1214 WeakPolarHBondContact O-CE1 3.49Å; N874-Y1214 VanDerWaalsContact OD1-C 3.29Å; N874-Y1214 PolarHBondContact OD1-O 3.2Å; H876-Y1214 AromaticContact CE1-CD1 3.82Å; H876-Y1214 AromaticContact CE1-CE1 3.86Å; L877-Y1214 WeakPolarHBondContact CB-OH 3.37Å; L877-Y1214 HydrophobicContact CD1-CD2 4.44Å; L877-Y1214 HydrophobicContact CD1-CE2 3.41Å; L877-Y1214 VanDerWaalsContact CD1-CE2 3.41Å; L877-Y1214 HydrophobicContact CG-CE2 3.88Å; L877-Y1214 WeakPolarHBondContact CG-OH 3.13Å; L1210-Y1214 HydrophobicContact CD1-CD2 3.96Å; L1210-Y1214 HydrophobicContact CD1-CE2 3.86Å; L1210-Y1214 HydrophobicContact CD2-CE2 4.33Å; L1210-Y1214 HydrophobicContact CG-CD2 4.02Å; L1210-Y1214 HydrophobicContact CG-CE2 3.84Å; L1210-Y1214 WeakPolarHBondContact O-CD2 3.22Å; L1210-Y1214 PolarHBondContact O-N 3.45Å; E1211-Y1214 WeakPolarHBondContact O-CB 3.46Å; E1211-Y1214 PolarHBondContact O-N 3.1Å; Y1214-T1216 PolarHBondContact O-N 2.87Å; Y1214-T1216 VanDerWaalsContact O-N 3.12Å; Y1214-D1217 PolarHBondContact O-N 3.38Å; Y1214-A1218 VanDerWaalsContact O-CB 3.31Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.23Å; Y1214-A1218 PolarHBondContact O-N 2.83Å |
| 1215 | E | 76.4 | Confident | 77.4 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.9 | -30.5 | 178.4 | -69.7 | -174.9 | 166.6 | 0 | 0 | 112.7 | E1211 R1219 | E1211-E1215 PolarHBondContact O-N 3.44Å; E1211-E1215 VanDerWaalsContact O-N 3.09Å; E1215-R1219 WeakPolarHBondContact O-CB 3.48Å; E1215-R1219 VanDerWaalsContact O-CG 3.22Å; E1215-R1219 WeakPolarHBondContact O-CG 3.32Å; E1215-R1219 PolarHBondContact O-N 2.98Å; E1215-R1219 VanDerWaalsContact O-N 3.17Å; E1215-R1219 PolarHBondContact O-NE 3.3Å |
| 1216 | T | 79.6 | Confident | 76.6 | Confident | 43 Ų | 43 | 63 Ų | 63 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -78.1 | -44.1 | 179.4 | -59.6 | 0 | 0 | 0 | 0 | 112 | Q1212 L1213 Y1214 R1219 K1220 | Q1212-T1216 WeakPolarHBondContact O-CB 3.48Å; Q1212-T1216 PolarHBondContact O-N 2.91Å; Q1212-T1216 PolarHBondContact O-OG1 2.91Å; L1213-T1216 PolarHBondContact O-N 3.31Å; Y1214-T1216 PolarHBondContact O-N 2.87Å; Y1214-T1216 VanDerWaalsContact O-N 3.12Å; T1216-R1219 PolarHBondContact OG1-NH2 3.2Å; T1216-K1220 HydrophobicContact CG2-CD 4.26Å; T1216-K1220 WeakPolarHBondContact O-CB 3.36Å; T1216-K1220 WeakPolarHBondContact O-CD 3.45Å; T1216-K1220 WeakPolarHBondContact O-CG 3.26Å; T1216-K1220 PolarHBondContact O-N 2.73Å; T1216-K1220 VanDerWaalsContact O-N 3.08Å |
| 1217 | D | 78.7 | Confident | 76.1 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 175.8 | -73.8 | -13.7 | 0 | 0 | 0 | 111.3 | I871 Y910 Q1049 L1213 Y1214 K1220 A1221 | I871-D1217 HydrophobicContact CG2-CB 4.02Å; I871-D1217 VanDerWaalsContact CG2-O 3.31Å; I871-D1217 WeakPolarHBondContact CG2-O 3.26Å; Y910-D1217 PolarHBondContact OH-OD2 3.19Å; Q1049-D1217 PolarHBondContact NE2-OD2 2.56Å; L1213-D1217 WeakPolarHBondContact O-CB 3.25Å; L1213-D1217 PolarHBondContact O-N 2.88Å; Y1214-D1217 PolarHBondContact O-N 3.38Å; D1217-K1220 WeakPolarHBondContact O-CB 3.23Å; D1217-K1220 PolarHBondContact O-N 3.43Å; D1217-A1221 PolarHBondContact O-N 3.48Å |
| 1218 | A | 74.3 | Confident | 75.7 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 5% | 0.05 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -52.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I871 N874 Y1214 K1220 A1221 S1222 | I871-A1218 WeakPolarHBondContact O-CB 3.46Å; N874-A1218 VanDerWaalsContact ND2-CB 3.25Å; N874-A1218 WeakPolarHBondContact ND2-CB 3.21Å; Y1214-A1218 VanDerWaalsContact O-CB 3.31Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.23Å; Y1214-A1218 PolarHBondContact O-N 2.83Å; A1218-K1220 VanDerWaalsContact C-N 3.26Å; A1218-K1220 PolarHBondContact O-N 2.85Å; A1218-A1221 WeakPolarHBondContact O-CA 3.39Å; A1218-A1221 WeakPolarHBondContact O-CB 3.23Å; A1218-A1221 PolarHBondContact O-N 3.37Å; A1218-S1222 PolarHBondContact O-N 3.46Å; A1218-S1222 PolarHBondContact O-OG 3.33Å; A1218-S1222 VanDerWaalsContact O-OG 3.11Å |
| 1219 | R | 67.5 | Low | 75.5 | Confident | 150 Ų | 150 | 56 Ų | 56 | 57% | 0.566 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -55.5 | -41.8 | 175.1 | -76.1 | 177 | -66.4 | 166.4 | 0.1 | 111.9 | E1215 T1216 A1221 S1222 C1223 | E1215-R1219 WeakPolarHBondContact O-CB 3.48Å; E1215-R1219 VanDerWaalsContact O-CG 3.22Å; E1215-R1219 WeakPolarHBondContact O-CG 3.32Å; E1215-R1219 PolarHBondContact O-N 2.98Å; E1215-R1219 VanDerWaalsContact O-N 3.17Å; E1215-R1219 PolarHBondContact O-NE 3.3Å; T1216-R1219 PolarHBondContact OG1-NH2 3.2Å; R1219-A1221 VanDerWaalsContact C-N 3.29Å; R1219-A1221 PolarHBondContact O-N 3.5Å; R1219-S1222 PolarHBondContact O-N 3.09Å; R1219-C1223 PolarHBondContact O-N 3Å; R1219-C1223 PolarHBondContact O-SG 2.84Å; R1219-C1223 VanDerWaalsContact O-SG 3.34Å |
| 1220 | K | 67.7 | Low | 75.4 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 26% | 0.261 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -28.1 | 174.5 | -77.3 | 169.9 | -179.6 | 174.9 | 0 | 113.7 | F1109 T1216 D1217 A1218 | F1109-K1220 HydrophobicContact CD1-CB 4.23Å; F1109-K1220 HydrophobicContact CD1-CD 3.88Å; F1109-K1220 HydrophobicContact CD1-CG 4.18Å; F1109-K1220 HydrophobicContact CE1-CB 3.66Å; F1109-K1220 HydrophobicContact CE1-CD 4.03Å; F1109-K1220 HydrophobicContact CE1-CG 4.13Å; F1109-K1220 HydrophobicContact CG-CD 4.16Å; F1109-K1220 HydrophobicContact CZ-CB 4.14Å; F1109-K1220 HydrophobicContact CZ-CD 4.42Å; T1216-K1220 HydrophobicContact CG2-CD 4.26Å; T1216-K1220 WeakPolarHBondContact O-CB 3.36Å; T1216-K1220 WeakPolarHBondContact O-CD 3.45Å; T1216-K1220 WeakPolarHBondContact O-CG 3.26Å; T1216-K1220 PolarHBondContact O-N 2.73Å; T1216-K1220 VanDerWaalsContact O-N 3.08Å; D1217-K1220 WeakPolarHBondContact O-CB 3.23Å; D1217-K1220 PolarHBondContact O-N 3.43Å; A1218-K1220 VanDerWaalsContact C-N 3.26Å; A1218-K1220 PolarHBondContact O-N 2.85Å |
| 1221 | A | 67.4 | Low | 75.3 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.7 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | I871 E872 D1217 A1218 R1219 C1223 K1224 | I871-A1221 HydrophobicContact CB-CB 4.4Å; I871-A1221 HydrophobicContact CG2-CB 3.83Å; E872-A1221 HydrophobicContact CB-CB 4.11Å; D1217-A1221 PolarHBondContact O-N 3.48Å; A1218-A1221 WeakPolarHBondContact O-CA 3.39Å; A1218-A1221 WeakPolarHBondContact O-CB 3.23Å; A1218-A1221 PolarHBondContact O-N 3.37Å; R1219-A1221 VanDerWaalsContact C-N 3.29Å; R1219-A1221 PolarHBondContact O-N 3.5Å; A1221-C1223 PolarHBondContact O-N 2.95Å; A1221-C1223 VanDerWaalsContact O-N 3.14Å; A1221-K1224 WeakPolarHBondContact O-CB 3.41Å; A1221-K1224 PolarHBondContact O-N 3.39Å |
| 1222 | S | 64.8 | Low | 75.3 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 42% | 0.42 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.1 | -27.5 | 178 | -49.8 | 0 | 0 | 0 | 0 | 113.7 | E872 A1218 R1219 K1224 | E872-S1222 WeakPolarHBondContact CG-OG 3.34Å; A1218-S1222 PolarHBondContact O-N 3.46Å; A1218-S1222 PolarHBondContact O-OG 3.33Å; A1218-S1222 VanDerWaalsContact O-OG 3.11Å; R1219-S1222 PolarHBondContact O-N 3.09Å; S1222-K1224 PolarHBondContact O-N 3.32Å |
| 1223 | C | 51 | Low | 75.5 | Confident | 88 Ų | 88 | 41.5 Ų | 41.5 | 60% | 0.595 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.1 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 114.6 | R673 R1219 A1221 | R673-C1223 PolarHBondContact NH1-O 3.28Å; R1219-C1223 PolarHBondContact O-N 3Å; R1219-C1223 PolarHBondContact O-SG 2.84Å; R1219-C1223 VanDerWaalsContact O-SG 3.34Å; A1221-C1223 PolarHBondContact O-N 2.95Å; A1221-C1223 VanDerWaalsContact O-N 3.14Å |
| 1224 | K | 55 | Low | 75.8 | Confident | 58 Ų | 58 | 38.5 Ų | 38.5 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -89.8 | 179.5 | -176.7 | -62.2 | 175.6 | -171.2 | 174.6 | 0 | 111 | R673 I1105 A1221 S1222 L1226 | R673-K1224 PolarHBondContact NH1-O 2.89Å; R673-K1224 VanDerWaalsContact NH1-O 3.15Å; I1105-K1224 PolarHBondContact O-NZ 3.21Å; A1221-K1224 WeakPolarHBondContact O-CB 3.41Å; A1221-K1224 PolarHBondContact O-N 3.39Å; S1222-K1224 PolarHBondContact O-N 3.32Å; K1224-L1226 PolarHBondContact O-N 3.49Å |
| 1225 | S | 61.5 | Low | 76.4 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | trans | -77.4 | 62.2 | 179.7 | -162.2 | 0 | 0 | 0 | 0 | 111.3 | R678 S1227 R1228 E1229 | R678-S1225 PolarHBondContact NH1-OG 3.44Å; R678-S1225 VanDerWaalsContact NH1-OG 3.09Å; S1225-S1227 PolarHBondContact O-N 3.3Å; S1225-S1227 VanDerWaalsContact O-N 3.11Å; S1225-R1228 WeakPolarHBondContact O-CA 3.41Å; S1225-R1228 VanDerWaalsContact O-CB 3.3Å; S1225-R1228 WeakPolarHBondContact O-CB 3.34Å; S1225-R1228 PolarHBondContact O-N 2.95Å; S1225-E1229 PolarHBondContact O-N 2.89Å | ||
| 1226 | L | 74.9 | Confident | 77 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.9 | -31.6 | -172.8 | -177.1 | 64.7 | 0 | 0 | 0 | 113.3 | F824 E872 K1224 R1228 E1229 L1230 | F824-L1226 HydrophobicContact CE2-CB 4.35Å; F824-L1226 HydrophobicContact CE2-CD2 3.64Å; F824-L1226 HydrophobicContact CE2-CG 4.02Å; F824-L1226 HydrophobicContact CZ-CD2 3.85Å; E872-L1226 HydrophobicContact CB-CD1 4.2Å; E872-L1226 HydrophobicContact CB-CD2 4.24Å; E872-L1226 VanDerWaalsContact CD-CD2 3.49Å; E872-L1226 HydrophobicContact CG-CD1 4.44Å; E872-L1226 HydrophobicContact CG-CD2 3.59Å; K1224-L1226 PolarHBondContact O-N 3.49Å; L1226-R1228 VanDerWaalsContact C-N 3.31Å; L1226-R1228 PolarHBondContact O-N 2.93Å; L1226-E1229 PolarHBondContact O-N 2.75Å; L1226-L1230 HydrophobicContact CD1-CD1 4.46Å; L1226-L1230 HydrophobicContact CD1-CG 4.49Å; L1226-L1230 HydrophobicContact CD2-CD1 4.39Å; L1226-L1230 HydrophobicContact CG-CD1 3.84Å; L1226-L1230 HydrophobicContact CG-CG 4.34Å; L1226-L1230 WeakPolarHBondContact O-CB 3.38Å; L1226-L1230 WeakPolarHBondContact O-CG 3.46Å; L1226-L1230 PolarHBondContact O-N 2.79Å |
| 1227 | S | 79.4 | Confident | 77.5 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -32.8 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | R678 V821 S1225 A1231 | R678-S1227 PolarHBondContact NH2-OG 2.75Å; V821-S1227 VanDerWaalsContact CG1-OG 3.26Å; V821-S1227 WeakPolarHBondContact CG1-OG 3.16Å; S1225-S1227 PolarHBondContact O-N 3.3Å; S1225-S1227 VanDerWaalsContact O-N 3.11Å; S1227-A1231 VanDerWaalsContact O-CB 3.28Å; S1227-A1231 WeakPolarHBondContact O-CB 3.33Å; S1227-A1231 PolarHBondContact O-N 3.39Å |
| 1228 | R | 80.8 | Confident | 78 | Confident | 57 Ų | 57 | 29.8 Ų | 29.8 | 22% | 0.215 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.4 | -47.5 | 172.6 | 179.9 | -174.7 | 173.4 | 176.4 | -1 | 109.8 | Y680 D731 L819 S1225 L1226 A1231 Q1232 | Y680-R1228 HydrophobicContact CD2-CG 4.29Å; Y680-R1228 HydrophobicContact CE2-CB 4.22Å; Y680-R1228 HydrophobicContact CE2-CG 4.24Å; D731-R1228 IonicContact OD1-NH2 3.19Å; D731-R1228 PolarHBondContact OD1-NH2 2.87Å; D731-R1228 IonicContact OD2-CZ 3.24Å; D731-R1228 IonicContact OD2-NH1 2.71Å; D731-R1228 IonicContact OD2-NH2 2.83Å; D731-R1228 PolarHBondContact OD2-NH2 3.49Å; L819-R1228 HydrophobicContact CD2-CG 4.31Å; S1225-R1228 WeakPolarHBondContact O-CA 3.41Å; S1225-R1228 VanDerWaalsContact O-CB 3.3Å; S1225-R1228 WeakPolarHBondContact O-CB 3.34Å; S1225-R1228 PolarHBondContact O-N 2.95Å; L1226-R1228 VanDerWaalsContact C-N 3.31Å; L1226-R1228 PolarHBondContact O-N 2.93Å; R1228-A1231 PolarHBondContact O-N 2.7Å; R1228-Q1232 WeakPolarHBondContact O-CB 3.27Å; R1228-Q1232 PolarHBondContact O-N 2.95Å |
| 1229 | E | 84.9 | Confident | 78.4 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 16% | 0.159 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | -179.9 | -54.2 | -51.2 | 136.9 | 0 | 0 | 112.1 | S865 L868 S1225 L1226 Q1232 L1233 | S865-E1229 VanDerWaalsContact CA-OE2 3.26Å; S865-E1229 WeakPolarHBondContact CA-OE2 3.23Å; S865-E1229 VanDerWaalsContact CB-OE2 3.24Å; S865-E1229 WeakPolarHBondContact CB-OE2 3.23Å; S865-E1229 PolarHBondContact OG-OE2 3.37Å; L868-E1229 HydrophobicContact CB-CG 4.36Å; L868-E1229 HydrophobicContact CD1-CG 3.97Å; S1225-E1229 PolarHBondContact O-N 2.89Å; L1226-E1229 PolarHBondContact O-N 2.75Å; E1229-Q1232 PolarHBondContact O-N 3.2Å; E1229-L1233 VanDerWaalsContact O-CB 3.25Å; E1229-L1233 WeakPolarHBondContact O-CB 3.38Å; E1229-L1233 PolarHBondContact O-N 3.43Å |
| 1230 | L | 88.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 174.8 | -74.3 | 163.5 | 0 | 0 | 0 | 112.2 | F824 Y827 F830 R831 T869 L1226 A1234 | F824-L1230 HydrophobicContact CD2-CD1 4.36Å; F824-L1230 HydrophobicContact CE2-CD1 3.74Å; Y827-L1230 HydrophobicContact CD1-CB 3.64Å; Y827-L1230 HydrophobicContact CE1-CB 4.05Å; Y827-L1230 HydrophobicContact CG-CB 4.02Å; Y827-L1230 HydrophobicContact CG-CD1 4.13Å; F830-L1230 HydrophobicContact CD1-CD2 3.94Å; F830-L1230 HydrophobicContact CE1-CD2 4.11Å; R831-L1230 HydrophobicContact CG-CD1 4.07Å; R831-L1230 HydrophobicContact CG-CD2 3.97Å; T869-L1230 HydrophobicContact CG2-CD2 3.59Å; L1226-L1230 HydrophobicContact CD1-CD1 4.46Å; L1226-L1230 HydrophobicContact CD1-CG 4.49Å; L1226-L1230 HydrophobicContact CD2-CD1 4.39Å; L1226-L1230 HydrophobicContact CG-CD1 3.84Å; L1226-L1230 HydrophobicContact CG-CG 4.34Å; L1226-L1230 WeakPolarHBondContact O-CB 3.38Å; L1226-L1230 WeakPolarHBondContact O-CG 3.46Å; L1226-L1230 PolarHBondContact O-N 2.79Å; L1230-A1234 WeakPolarHBondContact O-CB 3.27Å; L1230-A1234 PolarHBondContact O-N 2.95Å |
| 1231 | A | 87.9 | Confident | 80 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I801 L819 V821 Y827 S1227 R1228 A1234 Y1235 | I801-A1231 HydrophobicContact CG2-CB 4.32Å; L819-A1231 HydrophobicContact CD1-CB 4.16Å; L819-A1231 HydrophobicContact CD2-CB 4.43Å; L819-A1231 HydrophobicContact CG-CB 4.41Å; V821-A1231 HydrophobicContact CG2-CB 3.81Å; Y827-A1231 HydrophobicContact CE1-CB 4.16Å; Y827-A1231 WeakPolarHBondContact OH-CB 3.39Å; S1227-A1231 VanDerWaalsContact O-CB 3.28Å; S1227-A1231 WeakPolarHBondContact O-CB 3.33Å; S1227-A1231 PolarHBondContact O-N 3.39Å; R1228-A1231 PolarHBondContact O-N 2.7Å; A1231-A1234 PolarHBondContact O-N 2.94Å; A1231-Y1235 WeakPolarHBondContact O-CB 3.46Å; A1231-Y1235 PolarHBondContact O-N 3.21Å |
| 1232 | Q | 88.3 | Confident | 80.5 | Confident | 25 Ų | 25 | 25.7 Ų | 25.7 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 179.6 | -174.7 | 62.7 | 79 | 0 | 0 | 111.2 | L819 R1228 E1229 Y1236 | L819-Q1232 HydrophobicContact CD2-CB 4.2Å; R1228-Q1232 WeakPolarHBondContact O-CB 3.27Å; R1228-Q1232 PolarHBondContact O-N 2.95Å; E1229-Q1232 PolarHBondContact O-N 3.2Å; Q1232-Y1236 HydrophobicContact CG-CD2 4.24Å; Q1232-Y1236 HydrophobicContact CG-CE2 3.74Å; Q1232-Y1236 VanDerWaalsContact NE2-CZ 3.3Å; Q1232-Y1236 WeakPolarHBondContact O-CD2 3.49Å; Q1232-Y1236 PolarHBondContact O-N 3.15Å |
| 1233 | L | 91 | Very high | 80.5 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.4 | -50.8 | 173.4 | -179.2 | 62.7 | 0 | 0 | 0 | 111.1 | F830 I834 F842 F862 L866 T869 E1229 Y1235 Y1236 L1237 | F830-L1233 HydrophobicContact CE1-CD2 4.36Å; F830-L1233 HydrophobicContact CE1-CG 4.5Å; F830-L1233 HydrophobicContact CZ-CD2 4.26Å; F830-L1233 HydrophobicContact CZ-CG 4.23Å; I834-L1233 HydrophobicContact CD1-CD2 4.11Å; F842-L1233 HydrophobicContact CZ-CD2 4.41Å; F862-L1233 HydrophobicContact CD2-CD1 4.24Å; F862-L1233 HydrophobicContact CE2-CD1 3.81Å; L866-L1233 HydrophobicContact CB-CD1 4.28Å; L866-L1233 HydrophobicContact CD1-CD1 4.23Å; T869-L1233 HydrophobicContact CG2-CD2 3.98Å; E1229-L1233 VanDerWaalsContact O-CB 3.25Å; E1229-L1233 WeakPolarHBondContact O-CB 3.38Å; E1229-L1233 PolarHBondContact O-N 3.43Å; L1233-Y1235 VanDerWaalsContact C-N 3.31Å; L1233-Y1235 PolarHBondContact O-N 3.03Å; L1233-Y1236 PolarHBondContact O-N 3.36Å; L1233-Y1236 VanDerWaalsContact O-N 3.08Å; L1233-L1237 HydrophobicContact CD1-CD2 4.36Å; L1233-L1237 HydrophobicContact CD1-CG 4.28Å; L1233-L1237 HydrophobicContact CG-CD1 4.34Å; L1233-L1237 HydrophobicContact CG-CG 4.42Å; L1233-L1237 WeakPolarHBondContact O-CG 3.38Å; L1233-L1237 PolarHBondContact O-N 3.49Å |
| 1234 | A | 92.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.9 | -41.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | I801 F830 L1230 A1231 L1237 L1238 L1319 L1322 | I801-A1234 HydrophobicContact CD1-CB 3.78Å; F830-A1234 HydrophobicContact CD1-CB 4.41Å; F830-A1234 HydrophobicContact CE1-CB 3.82Å; F830-A1234 HydrophobicContact CZ-CB 3.98Å; L1230-A1234 WeakPolarHBondContact O-CB 3.27Å; L1230-A1234 PolarHBondContact O-N 2.95Å; A1231-A1234 PolarHBondContact O-N 2.94Å; A1234-L1237 PolarHBondContact O-N 3.28Å; A1234-L1238 VanDerWaalsContact O-CB 3.28Å; A1234-L1238 WeakPolarHBondContact O-CB 3.48Å; A1234-L1238 PolarHBondContact O-N 3.02Å; A1234-L1319 HydrophobicContact CB-CD2 3.63Å; A1234-L1322 HydrophobicContact CB-CD2 3.57Å |
| 1235 | Y | 90.7 | Very high | 80 | Confident | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 172.1 | 158.1 | -120.8 | 0 | 0 | 0 | 111.9 | C802 K817 A1231 L1233 L1237 L1238 E1239 | C802-Y1235 HydrophobicContact CB-CD1 3.91Å; C802-Y1235 HydrophobicContact CB-CD2 3.64Å; C802-Y1235 HydrophobicContact CB-CE1 4.19Å; C802-Y1235 HydrophobicContact CB-CE2 3.96Å; C802-Y1235 HydrophobicContact CB-CG 3.63Å; K817-Y1235 PolarHBondContact NZ-OH 3.08Å; A1231-Y1235 WeakPolarHBondContact O-CB 3.46Å; A1231-Y1235 PolarHBondContact O-N 3.21Å; L1233-Y1235 VanDerWaalsContact C-N 3.31Å; L1233-Y1235 PolarHBondContact O-N 3.03Å; Y1235-L1237 VanDerWaalsContact C-N 3.31Å; Y1235-L1237 PolarHBondContact O-N 2.8Å; Y1235-L1238 PolarHBondContact O-N 3.28Å; Y1235-E1239 HydrophobicContact CD2-CB 4.48Å; Y1235-E1239 HydrophobicContact CE2-CB 4.12Å; Y1235-E1239 HydrophobicContact CE2-CG 4.33Å; Y1235-E1239 WeakPolarHBondContact CE2-OE1 3.4Å; Y1235-E1239 VanDerWaalsContact CZ-OE1 3.25Å; Y1235-E1239 WeakPolarHBondContact O-CB 3.17Å; Y1235-E1239 PolarHBondContact O-N 3.4Å; Y1235-E1239 PolarHBondContact OH-OE1 3.15Å; Y1235-E1239 PolarHBondContact OH-OE2 3.34Å; Y1235-E1239 VanDerWaalsContact OH-OE2 3.04Å |
| 1236 | Y | 89.5 | Confident | 78.6 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -34.8 | 179.1 | -71.4 | -49.9 | 0 | 0 | 0 | 113.3 | F853 N858 S861 F862 Q1232 L1233 | F853-Y1236 AromaticContact CE1-CD1 3.81Å; F853-Y1236 HydrophobicContact CE1-CD1 3.81Å; F853-Y1236 AromaticContact CE1-CE1 3.82Å; F853-Y1236 HydrophobicContact CE1-CE1 3.82Å; F853-Y1236 AromaticContact CZ-CD1 3.74Å; F853-Y1236 HydrophobicContact CZ-CD1 3.74Å; F853-Y1236 AromaticContact CZ-CE1 3.99Å; F853-Y1236 HydrophobicContact CZ-CE1 3.99Å; F853-Y1236 HydrophobicContact CZ-CG 4.09Å; N858-Y1236 HydrophobicContact CB-CE1 4.49Å; S861-Y1236 WeakPolarHBondContact CB-OH 2.93Å; F862-Y1236 HydrophobicContact CB-CD2 3.91Å; F862-Y1236 HydrophobicContact CB-CE2 3.85Å; F862-Y1236 AromaticContact CD2-CD2 3.74Å; F862-Y1236 HydrophobicContact CD2-CD2 3.74Å; F862-Y1236 HydrophobicContact CD2-CG 4.03Å; F862-Y1236 HydrophobicContact CG-CD2 4.33Å; Q1232-Y1236 HydrophobicContact CG-CD2 4.24Å; Q1232-Y1236 HydrophobicContact CG-CE2 3.74Å; Q1232-Y1236 VanDerWaalsContact NE2-CZ 3.3Å; Q1232-Y1236 WeakPolarHBondContact O-CD2 3.49Å; Q1232-Y1236 PolarHBondContact O-N 3.15Å; L1233-Y1236 PolarHBondContact O-N 3.36Å; L1233-Y1236 VanDerWaalsContact O-N 3.08Å |
| 1237 | L | 90.7 | Very high | 76.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.9 | -42.4 | 174.7 | -60.7 | -173.8 | 0 | 0 | 0 | 111.7 | F830 F842 L845 V849 F862 L1233 A1234 Y1235 A1240 Y1241 I1315 L1319 | F830-L1237 HydrophobicContact CE2-CD1 3.92Å; F830-L1237 HydrophobicContact CZ-CD1 3.81Å; F842-L1237 HydrophobicContact CD2-CD1 4.37Å; F842-L1237 HydrophobicContact CE2-CD1 3.96Å; L845-L1237 HydrophobicContact CD2-CB 4.11Å; L845-L1237 HydrophobicContact CD2-CD1 4.22Å; L845-L1237 HydrophobicContact CD2-CD2 3.95Å; L845-L1237 HydrophobicContact CD2-CG 4.3Å; L845-L1237 HydrophobicContact CG-CD2 4.13Å; V849-L1237 HydrophobicContact CG2-CD2 4.05Å; F862-L1237 HydrophobicContact CE2-CD2 4.36Å; L1233-L1237 HydrophobicContact CD1-CD2 4.36Å; L1233-L1237 HydrophobicContact CD1-CG 4.28Å; L1233-L1237 HydrophobicContact CG-CD1 4.34Å; L1233-L1237 HydrophobicContact CG-CG 4.42Å; L1233-L1237 WeakPolarHBondContact O-CG 3.38Å; L1233-L1237 PolarHBondContact O-N 3.49Å; A1234-L1237 PolarHBondContact O-N 3.28Å; Y1235-L1237 VanDerWaalsContact C-N 3.31Å; Y1235-L1237 PolarHBondContact O-N 2.8Å; L1237-A1240 PolarHBondContact O-N 2.8Å; L1237-Y1241 WeakPolarHBondContact O-CD2 3.29Å; L1237-Y1241 WeakPolarHBondContact O-CE2 3.33Å; L1237-I1315 HydrophobicContact CD1-CG2 4.44Å; L1237-L1319 HydrophobicContact CB-CD1 3.63Å; L1237-L1319 HydrophobicContact CB-CD2 4.37Å |
| 1238 | L | 89 | Confident | 73.9 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 179.6 | -176.3 | 59.6 | 0 | 0 | 0 | 112.2 | I801 A1234 Y1235 A1240 Y1241 H1242 L1319 I1320 A1323 | I801-L1238 HydrophobicContact CD1-CD2 4.3Å; I801-L1238 HydrophobicContact CG1-CD2 4.47Å; A1234-L1238 VanDerWaalsContact O-CB 3.28Å; A1234-L1238 WeakPolarHBondContact O-CB 3.48Å; A1234-L1238 PolarHBondContact O-N 3.02Å; Y1235-L1238 PolarHBondContact O-N 3.28Å; L1238-A1240 PolarHBondContact O-N 2.89Å; L1238-Y1241 PolarHBondContact O-N 3.2Å; L1238-Y1241 VanDerWaalsContact O-N 3.16Å; L1238-H1242 PolarHBondContact O-N 2.98Å; L1238-H1242 VanDerWaalsContact O-N 3.15Å; L1238-L1319 HydrophobicContact CD1-CB 4.28Å; L1238-I1320 HydrophobicContact CD1-CD1 3.91Å; L1238-A1323 HydrophobicContact CD2-CB 3.87Å |
| 1239 | E | 83.6 | Confident | 71.3 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -18.5 | 176.8 | -171.2 | 167.7 | -110.4 | 0 | 0 | 113.2 | Y1235 H1242 P1243 | Y1235-E1239 HydrophobicContact CD2-CB 4.48Å; Y1235-E1239 HydrophobicContact CE2-CB 4.12Å; Y1235-E1239 HydrophobicContact CE2-CG 4.33Å; Y1235-E1239 WeakPolarHBondContact CE2-OE1 3.4Å; Y1235-E1239 VanDerWaalsContact CZ-OE1 3.25Å; Y1235-E1239 WeakPolarHBondContact O-CB 3.17Å; Y1235-E1239 PolarHBondContact O-N 3.4Å; Y1235-E1239 PolarHBondContact OH-OE1 3.15Å; Y1235-E1239 PolarHBondContact OH-OE2 3.34Å; Y1235-E1239 VanDerWaalsContact OH-OE2 3.04Å; E1239-H1242 CarbonylContact O-C 3.56Å; E1239-P1243 VanDerWaalsContact O-CA 3.22Å; E1239-P1243 WeakPolarHBondContact O-CA 3.39Å |
| 1240 | A | 84.9 | Confident | 68.4 | Low | 6 Ų | 6 | 54.9 Ų | 54.9 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.4 | -22.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L845 V849 L1237 L1238 Y1307 | L845-A1240 HydrophobicContact CD1-CB 4.37Å; V849-A1240 HydrophobicContact CG2-CB 3.64Å; L1237-A1240 PolarHBondContact O-N 2.8Å; L1238-A1240 PolarHBondContact O-N 2.89Å; A1240-Y1307 PolarHBondContact O-N 3.16Å |
| 1241 | Y | 83.5 | Confident | 65.3 | Low | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -85.4 | -33.5 | 169.9 | -56.7 | -87.1 | 0 | 0 | 0 | 111.5 | L845 L1237 L1238 P1243 I1306 Y1307 I1309 S1312 Y1316 L1319 | L845-Y1241 HydrophobicContact CD1-CE1 4.44Å; L845-Y1241 HydrophobicContact CD1-CE2 4.01Å; L845-Y1241 HydrophobicContact CD2-CE2 4.08Å; L845-Y1241 WeakPolarHBondContact CD2-OH 3.42Å; L1237-Y1241 WeakPolarHBondContact O-CD2 3.29Å; L1237-Y1241 WeakPolarHBondContact O-CE2 3.33Å; L1238-Y1241 PolarHBondContact O-N 3.2Å; L1238-Y1241 VanDerWaalsContact O-N 3.16Å; Y1241-P1243 VanDerWaalsContact C-CD 3.42Å; Y1241-P1243 WeakPolarHBondContact O-CD 3.4Å; Y1241-I1306 VanDerWaalsContact O-CG2 3.23Å; Y1241-I1306 WeakPolarHBondContact O-CG2 3.4Å; Y1241-Y1307 WeakPolarHBondContact CD1-O 3.37Å; Y1241-Y1307 HydrophobicContact CE1-CD1 4.07Å; Y1241-I1309 HydrophobicContact CD1-CG1 3.83Å; Y1241-I1309 HydrophobicContact CE1-CG1 4.45Å; Y1241-S1312 VanDerWaalsContact CE1-OG 3.25Å; Y1241-S1312 WeakPolarHBondContact CE1-OG 3.48Å; Y1241-S1312 VanDerWaalsContact OH-CB 3.31Å; Y1241-S1312 WeakPolarHBondContact OH-CB 3.35Å; Y1241-S1312 PolarHBondContact OH-O 3.42Å; Y1241-S1312 PolarHBondContact OH-OG 2.98Å; Y1241-Y1316 AromaticContact CD1-CD2 3.67Å; Y1241-Y1316 HydrophobicContact CD1-CD2 3.67Å; Y1241-Y1316 HydrophobicContact CD1-CE2 4.3Å; Y1241-Y1316 HydrophobicContact CD1-CG 4.46Å; Y1241-Y1316 AromaticContact CD2-CD2 3.8Å; Y1241-Y1316 HydrophobicContact CD2-CD2 3.8Å; Y1241-Y1316 HydrophobicContact CD2-CE2 4.4Å; Y1241-Y1316 AromaticContact CE1-CD2 3.94Å; Y1241-Y1316 HydrophobicContact CE1-CD2 3.94Å; Y1241-Y1316 HydrophobicContact CE1-CG 4.37Å; Y1241-Y1316 HydrophobicContact CE2-CD2 4.07Å; Y1241-Y1316 AromaticContact CG-CD2 3.57Å; Y1241-Y1316 HydrophobicContact CG-CD2 3.57Å; Y1241-Y1316 AromaticContact CG-CE2 3.97Å; Y1241-Y1316 HydrophobicContact CG-CE2 3.97Å; Y1241-L1319 HydrophobicContact CE2-CD1 3.84Å |
| 1242 | H | 78.5 | Confident | 62.2 | Low | 65 Ų | 65 | 70.7 Ų | 70.7 | 30% | 0.301 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -125.6 | 65.4 | -178.7 | -61.5 | -67.6 | 0 | 0 | 0 | 111.3 | L1238 E1239 K1244 Y1316 | L1238-H1242 PolarHBondContact O-N 2.98Å; L1238-H1242 VanDerWaalsContact O-N 3.15Å; E1239-H1242 CarbonylContact O-C 3.56Å; H1242-K1244 PolarHBondContact O-N 3.1Å; H1242-Y1316 AromaticContact NE2-CE2 3.5Å; H1242-Y1316 AromaticContact NE2-CZ 3.65Å; H1242-Y1316 PolarHBondContact NE2-OH 3.38Å |
| 1243 | P | 63.5 | Low | 59.1 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 31% | 0.312 | 39% | 0.39 | S | S | . | . | trans | -64.2 | 111.9 | 175 | 25.9 | -32.4 | 0 | 0 | 0 | 108.6 | E1239 Y1241 H1245 I1306 | E1239-P1243 VanDerWaalsContact O-CA 3.22Å; E1239-P1243 WeakPolarHBondContact O-CA 3.39Å; Y1241-P1243 VanDerWaalsContact C-CD 3.42Å; Y1241-P1243 WeakPolarHBondContact O-CD 3.4Å; P1243-H1245 PolarHBondContact O-N 3.17Å; P1243-I1306 HydrophobicContact CG-CG1 3.81Å | ||
| 1244 | K | 55.4 | Low | 55.9 | Low | 95 Ų | 95 | 80.1 Ų | 80.1 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | trans | -49.3 | 118.6 | 176.1 | -74.1 | 178.9 | 173.4 | 174.5 | 0 | 108.5 | T804 H1242 Q1246 | T804-K1244 PolarHBondContact O-NZ 3.04Å; H1242-K1244 PolarHBondContact O-N 3.1Å; K1244-Q1246 PolarHBondContact O-N 2.6Å | ||
| 1245 | H | 40.2 | Very low | 52.7 | Low | 175 Ų | 175 | 86.6 Ų | 86.6 | 81% | 0.81 | 46% | 0.463 | S | S | * | . | trans | -48 | 117 | 178.2 | -98.6 | -69.2 | 0 | 0 | 0 | 108.9 | P1243 S1247 | P1243-H1245 PolarHBondContact O-N 3.17Å; H1245-S1247 PolarHBondContact O-N 3.47Å | ||
| 1246 | Q | 32.7 | Very low | 49.6 | Very low | 170 Ų | 170 | 92.1 Ų | 92.1 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | trans | -61 | 101.8 | 178.1 | -76.7 | -173.5 | -16.8 | 0 | 0 | 108.3 | K1244 T1248 | K1244-Q1246 PolarHBondContact O-N 2.6Å; Q1246-T1248 PolarHBondContact O-N 2.8Å | ||
| 1247 | S | 27.8 | Very low | 46.8 | Very low | 105 Ų | 105 | 99.1 Ų | 99.1 | 73% | 0.734 | 53% | 0.534 | S | S | * | . | trans | -71.2 | 75.7 | 172.3 | -59.4 | 0 | 0 | 0 | 0 | 108.6 | H1245 T1249 | H1245-S1247 PolarHBondContact O-N 3.47Å; S1247-T1249 PolarHBondContact O-N 2.97Å | ||
| 1248 | T | 27.4 | Very low | 43.8 | Very low | 114 Ų | 114 | 105.8 Ų | 105.8 | 70% | 0.699 | 57% | 0.57 | S | S | * | * | trans | -62.5 | 77.8 | 151.9 | 44.8 | 0 | 0 | 0 | 0 | 107.3 | Q1246 I1250 | Q1246-T1248 PolarHBondContact O-N 2.8Å; T1248-I1250 PolarHBondContact O-N 3.32Å | ||
| 1249 | T | 25.8 | Very low | 41 | Very low | 109 Ų | 109 | 114 Ų | 114 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | trans | -64.5 | 85.5 | 166.7 | -59.3 | 0 | 0 | 0 | 0 | 106.1 | S1247 C1251 | S1247-T1249 PolarHBondContact O-N 2.97Å; T1249-C1251 PolarHBondContact O-N 2.76Å | ||
| 1250 | I | 25.3 | Very low | 38.4 | Very low | 142 Ų | 142 | 118.6 Ų | 118.6 | 73% | 0.728 | 63% | 0.633 | S | S | * | * | trans | -61.7 | 97.6 | 167.2 | -63.4 | 174.6 | 0 | 0 | 0 | 105 | T1248 R1252 | T1248-I1250 PolarHBondContact O-N 3.32Å; I1250-R1252 PolarHBondContact O-N 3.33Å | ||
| 1251 | C | 23 | Very low | 35.8 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 70% | 0.703 | 66% | 0.662 | S | S | * | * | trans | -58.8 | 94.3 | 167.7 | -67.2 | 0 | 0 | 0 | 0 | 107.1 | T1249 T1253 | T1249-C1251 PolarHBondContact O-N 2.76Å; C1251-T1253 VanDerWaalsContact C-N 3.27Å; C1251-T1253 PolarHBondContact O-N 2.73Å | ||
| 1252 | R | 22 | Very low | 33.3 | Very low | 228 Ų | 228 | 129.7 Ų | 129.7 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | trans | -62.9 | 96.7 | 168.2 | -77.5 | -176.9 | 171.7 | 172.5 | -2.1 | 106.6 | I1250 S1254 | I1250-R1252 PolarHBondContact O-N 3.33Å; R1252-S1254 PolarHBondContact O-N 3Å | ||
| 1253 | T | 24.8 | Very low | 31 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | trans | -57.9 | 108.6 | 172 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | C1251 N1255 | C1251-T1253 VanDerWaalsContact C-N 3.27Å; C1251-T1253 PolarHBondContact O-N 2.73Å; T1253-N1255 PolarHBondContact O-N 3.03Å | ||
| 1254 | S | 22.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -68.3 | 78 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | R1252 T1256 | R1252-S1254 PolarHBondContact O-N 3Å; S1254-T1256 VanDerWaalsContact C-N 3.33Å; S1254-T1256 PolarHBondContact O-N 3.09Å | ||
| 1255 | N | 26.7 | Very low | 28.4 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -68.9 | 91.6 | 171.3 | -80.7 | -5.5 | 0 | 0 | 0 | 109 | T1253 I1257 | T1253-N1255 PolarHBondContact O-N 3.03Å; N1255-I1257 PolarHBondContact O-N 3.19Å | ||
| 1256 | T | 25.1 | Very low | 27.8 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -68 | 97.8 | 169.5 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | S1254 | S1254-T1256 VanDerWaalsContact C-N 3.33Å; S1254-T1256 PolarHBondContact O-N 3.09Å | ||
| 1257 | I | 30.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -112.1 | 125.9 | 159.7 | -64.6 | -179.7 | 0 | 0 | 0 | 107.1 | N1255 | N1255-I1257 PolarHBondContact O-N 3.19Š| ||
| 1258 | N | 26.7 | Very low | 27.8 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -73.7 | 134 | -178 | -58.1 | -44.8 | 0 | 0 | 0 | 110.9 | ||||
| 1259 | Q | 30.9 | Very low | 27.9 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | -173.8 | 109.8 | 124.1 | -100.4 | 161.1 | 37.5 | 0 | 0 | 113.3 | |||||
| 1260 | L | 29.5 | Very low | 28.1 | Very low | 152 Ų | 152 | 134 Ų | 134 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 24.4 | 124.8 | 140.1 | -64.6 | 155.8 | 0 | 0 | 0 | 121.3 | ||||
| 1261 | N | 30.7 | Very low | 28.4 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | 96.4 | 128.2 | 127.8 | -82.6 | 48.3 | 0 | 0 | 0 | 124 | |||||
| 1262 | D | 30.9 | Very low | 28.8 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | trans | 86.1 | 87.8 | 136.8 | -55.7 | -24.8 | 0 | 0 | 0 | 123.9 | ||||
| 1263 | T | 29.8 | Very low | 29.2 | Very low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | 63.6 | 111.4 | 116.5 | -44.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1264 | T | 31.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | -176.9 | 170.7 | 116.9 | 23.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1265 | T | 31.9 | Very low | 29.9 | Very low | 126 Ų | 126 | 129 Ų | 129 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -124.6 | 149.6 | -160 | 43.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1266 | T | 27.5 | Very low | 30.1 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | -5.1 | 152.7 | 141 | 50.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1267 | T | 31.3 | Very low | 30.4 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | cis | -174.1 | 166.8 | 19.4 | 6.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1268 | T | 29.7 | Very low | 30.4 | Very low | 120 Ų | 120 | 128 Ų | 128 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | 66.3 | 154.4 | 146 | 53.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1269 | T | 30.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | cis | -169.5 | 140.5 | -4.3 | 21.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1270 | T | 29.2 | Very low | 30.6 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | 57.1 | 164.8 | 145.5 | 62 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1271 | T | 31.5 | Very low | 30.6 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | cis | -151.4 | 148.1 | 18.5 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1272 | N | 30.7 | Very low | 31.3 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | 46.4 | 163.7 | 141.4 | -54.8 | -8.5 | 0 | 0 | 0 | 122.4 | ||||
| 1273 | S | 31.6 | Very low | 31.2 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | cis | -162.4 | 144.4 | 19.1 | 53 | 0 | 0 | 0 | 0 | 116 | ||||
| 1274 | S | 30.6 | Very low | 31.3 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 54 | 160.4 | 147.5 | 65 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1275 | S | 31.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | cis | -151.4 | -155.4 | 16.3 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1276 | N | 30.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | -129.3 | -176.3 | -164.6 | -51.4 | 66.9 | 0 | 0 | 0 | 111.7 | ||||
| 1277 | N | 31.6 | Very low | 31.3 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | cis | -166 | 176.5 | 12.6 | -149.5 | 12.4 | 0 | 0 | 0 | 114.1 | ||||
| 1278 | N | 30.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | trans | 76.3 | 141 | 150 | -82.1 | 8 | 0 | 0 | 0 | 124.7 | ||||
| 1279 | N | 29.9 | Very low | 31.4 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 99 | 140.9 | 144.6 | -81.4 | 33.7 | 0 | 0 | 0 | 124.7 | ||||
| 1280 | D | 32.4 | Very low | 31.2 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | 87.6 | 154.7 | 152.5 | -57.4 | -18.4 | 0 | 0 | 0 | 124.5 | ||||
| 1281 | M | 29.3 | Very low | 31.3 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | trans | -155.9 | 176.2 | -165.6 | -107.7 | -81 | 126.5 | 0 | 0 | 106.8 | ||||
| 1282 | P | 44.4 | Very low | 31.3 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | cis | -139.1 | -161 | -1.8 | 36.8 | -13.2 | 0 | 0 | 0 | 115.7 | ||||
| 1283 | N | 29.3 | Very low | 31.3 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 77.2 | 107.3 | 150.8 | -68.7 | -13.6 | 0 | 0 | 0 | 122.8 | ||||
| 1284 | S | 32.7 | Very low | 31.4 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | 171.3 | 135.1 | 103.2 | 42.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1285 | T | 28.2 | Very low | 31.1 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | cis | 97.7 | 134.3 | 41.9 | -38.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1286 | I | 31.1 | Very low | 31.1 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 102.1 | 97.6 | 161.6 | -54 | -168.5 | 0 | 0 | 0 | 119.8 | ||||
| 1287 | M | 31.1 | Very low | 30.8 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | 70.9 | 132.9 | 132.3 | -71.8 | -174 | 178.2 | 0 | 0 | 126.7 | ||||
| 1288 | N | 31 | Very low | 30.7 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | trans | 94 | 103.5 | 130.7 | -75.2 | -0.8 | 0 | 0 | 0 | 123.5 | ||||
| 1289 | N | 31.1 | Very low | 30.5 | Very low | 121 Ų | 121 | 139 Ų | 139 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | 82.5 | 112.8 | 119.1 | -62.9 | -12.7 | 0 | 0 | 0 | 122 | |||||
| 1290 | N | 27.1 | Very low | 30.5 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | 60 | 90.9 | 128.3 | -58.9 | -10.2 | 0 | 0 | 0 | 119.5 | |||||
| 1291 | S | 30.6 | Very low | 30.4 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | -160.9 | 133.8 | 127.3 | 34.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1292 | T | 31.4 | Very low | 30.6 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 28.8 | 107.2 | 153.8 | 54.3 | 0 | 0 | 0 | 0 | 119.5 | I1294 | T1292-I1294 PolarHBondContact O-N 3.19Å; T1292-I1294 VanDerWaalsContact O-N 3.16Å | ||
| 1293 | P | 32.2 | Very low | 30.1 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -70.2 | 110.3 | 164.3 | 29.4 | -32.5 | 0 | 0 | 0 | 110.5 | ||||
| 1294 | I | 32.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -69.5 | 145 | 167.8 | -68.6 | 174.7 | 0 | 0 | 0 | 108.9 | T1292 T1296 | T1292-I1294 PolarHBondContact O-N 3.19Å; T1292-I1294 VanDerWaalsContact O-N 3.16Å; I1294-T1296 PolarHBondContact O-N 3.24Å | ||
| 1295 | K | 26 | Very low | 31.9 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -58.1 | 104 | -179.3 | -64.8 | 177.1 | 179.1 | 178.5 | 0 | 112 | ||||
| 1296 | T | 29.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -83.8 | 121.4 | 162.9 | 40.7 | 0 | 0 | 0 | 0 | 109.9 | I1294 N1298 | I1294-T1296 PolarHBondContact O-N 3.24Å; T1296-N1298 VanDerWaalsContact C-N 3.33Å; T1296-N1298 PolarHBondContact O-N 3.16Å | ||
| 1297 | H | 26.3 | Very low | 36.1 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | trans | -77.1 | 83 | 169.6 | -96.9 | -93.5 | 0 | 0 | 0 | 109.7 | H1299 | H1297-H1299 PolarHBondContact O-N 2.99Å; H1297-H1299 VanDerWaalsContact O-N 3.16Å | ||
| 1298 | N | 28.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | trans | -72.7 | 102.7 | 163.3 | -86.7 | 25 | 0 | 0 | 0 | 108.9 | T1296 E1300 | T1296-N1298 VanDerWaalsContact C-N 3.33Å; T1296-N1298 PolarHBondContact O-N 3.16Å; N1298-E1300 HydrophobicContact CB-CG 4.36Å; N1298-E1300 PolarHBondContact ND2-OE1 3.04Å; N1298-E1300 PolarHBondContact O-N 3.01Å | ||
| 1299 | H | 26.9 | Very low | 40.5 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | trans | -75.1 | 75.7 | 159.9 | -108.1 | -60.9 | 0 | 0 | 0 | 108.6 | H1297 | H1297-H1299 PolarHBondContact O-N 2.99Å; H1297-H1299 VanDerWaalsContact O-N 3.16Å | ||
| 1300 | E | 30 | Very low | 42.9 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 68% | 0.68 | S | S | * | * | trans | -70.6 | 140.2 | 169.2 | -84.7 | 167.5 | -166.5 | 0 | 0 | 110.3 | N1298 | N1298-E1300 HydrophobicContact CB-CG 4.36Å; N1298-E1300 PolarHBondContact ND2-OE1 3.04Å; N1298-E1300 PolarHBondContact O-N 3.01Å | ||
| 1301 | N | 29.3 | Very low | 45.5 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | trans | -70.8 | 134.4 | -171.6 | -69.3 | -58.5 | 0 | 0 | 0 | 110.9 | I1303 | N1301-I1303 HydrophobicContact CB-CG1 4.35Å; N1301-I1303 PolarHBondContact O-N 3.2Å | ||
| 1302 | K | 33.2 | Very low | 48.2 | Very low | 205 Ų | 205 | 119.7 Ų | 119.7 | 89% | 0.891 | 63% | 0.628 | S | S | * | * | trans | -69.1 | 76.4 | 162.7 | -80.3 | -170.8 | 169.9 | -170.8 | 0 | 110.4 | ||||
| 1303 | I | 34.1 | Very low | 50.8 | Low | 152 Ų | 152 | 117 Ų | 117 | 78% | 0.779 | 61% | 0.613 | S | S | * | * | trans | -86.3 | 108 | 154.2 | -60.7 | 177.9 | 0 | 0 | 0 | 104.6 | N1301 | N1301-I1303 HydrophobicContact CB-CG1 4.35Å; N1301-I1303 PolarHBondContact O-N 3.2Å | ||
| 1304 | T | 45 | Very low | 53.5 | Low | 84 Ų | 84 | 116.1 Ų | 116.1 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | trans | -67.1 | 140.2 | -168.2 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | I1306 | T1304-I1306 PolarHBondContact O-N 3.29Š| ||
| 1305 | D | 55.5 | Low | 56.3 | Low | 142 Ų | 142 | 109.1 Ų | 109.1 | 76% | 0.759 | 56% | 0.561 | S | S | * | * | trans | -57.4 | 117.8 | 179 | -53.4 | -91.4 | 0 | 0 | 0 | 111.8 | ||||
| 1306 | I | 67.1 | Low | 59.4 | Low | 98 Ų | 98 | 102.1 Ų | 102.1 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | trans | -107.8 | 137.9 | 169.1 | -60.5 | 176 | 0 | 0 | 0 | 107.1 | Y1241 P1243 T1304 P1308 | Y1241-I1306 VanDerWaalsContact O-CG2 3.23Å; Y1241-I1306 WeakPolarHBondContact O-CG2 3.4Å; P1243-I1306 HydrophobicContact CG-CG1 3.81Å; T1304-I1306 PolarHBondContact O-N 3.29Å; I1306-P1308 VanDerWaalsContact O-CD 3.3Å; I1306-P1308 WeakPolarHBondContact O-CD 3.25Å | ||
| 1307 | Y | 79.3 | Confident | 62.3 | Low | 22 Ų | 22 | 99 Ų | 99 | 9% | 0.086 | 52% | 0.516 | C | S | . | . | trans | -74.4 | 116.6 | 172.4 | -155.5 | -108.5 | 0 | 0 | 0 | 110.3 | P844 L845 H848 A1240 Y1241 I1309 L1311 S1312 | P844-Y1307 VanDerWaalsContact CB-OH 3.25Å; P844-Y1307 WeakPolarHBondContact CB-OH 3.45Å; L845-Y1307 HydrophobicContact CB-CE1 4.25Å; L845-Y1307 HydrophobicContact CD1-CD1 3.46Å; L845-Y1307 VanDerWaalsContact CD1-CD1 3.46Å; L845-Y1307 HydrophobicContact CD1-CE1 3.92Å; L845-Y1307 HydrophobicContact CD1-CG 3.87Å; H848-Y1307 HydrophobicContact CB-CD2 3.62Å; H848-Y1307 HydrophobicContact CB-CE2 3.9Å; H848-Y1307 HydrophobicContact CB-CG 4.49Å; H848-Y1307 AromaticContact CD2-CD2 3.95Å; H848-Y1307 AromaticContact CG-CD2 3.46Å; H848-Y1307 VanDerWaalsContact CG-CD2 3.46Å; H848-Y1307 AromaticContact ND1-CD2 3.65Å; A1240-Y1307 PolarHBondContact O-N 3.16Å; Y1241-Y1307 WeakPolarHBondContact CD1-O 3.37Å; Y1241-Y1307 HydrophobicContact CE1-CD1 4.07Å; Y1307-I1309 PolarHBondContact O-N 3.24Å; Y1307-L1311 HydrophobicContact CD1-CB 4.48Å; Y1307-L1311 HydrophobicContact CE1-CB 3.65Å; Y1307-L1311 HydrophobicContact CE1-CD1 4.3Å; Y1307-L1311 HydrophobicContact CE2-CD1 3.96Å; Y1307-S1312 VanDerWaalsContact CE1-OG 3.31Å; Y1307-S1312 WeakPolarHBondContact CE1-OG 3.45Å | ||
| 1308 | P | 78.5 | Confident | 65.4 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | trans | -70.4 | 129.2 | -176.2 | 28.4 | -34 | 0 | 0 | 0 | 110.5 | I1306 S1310 L1311 | I1306-P1308 VanDerWaalsContact O-CD 3.3Å; I1306-P1308 WeakPolarHBondContact O-CD 3.25Å; P1308-S1310 PolarHBondContact O-N 3.5Å; P1308-L1311 HydrophobicContact CG-CD1 3.65Å; P1308-L1311 HydrophobicContact CG-CG 3.92Å; P1308-L1311 PolarHBondContact O-N 3.24Å | ||
| 1309 | I | 77.6 | Confident | 68.4 | Low | 71 Ų | 71 | 86.7 Ų | 86.7 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -53.1 | -31.5 | -176.9 | -63.7 | 165.1 | 0 | 0 | 0 | 112.2 | Y1241 Y1307 L1311 S1312 Y1316 | Y1241-I1309 HydrophobicContact CD1-CG1 3.83Å; Y1241-I1309 HydrophobicContact CE1-CG1 4.45Å; Y1307-I1309 PolarHBondContact O-N 3.24Å; I1309-L1311 PolarHBondContact O-N 3.42Å; I1309-S1312 CarbonylContact O-C 3.37Å; I1309-S1312 PolarHBondContact O-N 3.41Å; I1309-Y1316 HydrophobicContact CD1-CD1 4.31Å; I1309-Y1316 HydrophobicContact CD1-CD2 4.34Å; I1309-Y1316 HydrophobicContact CD1-CE1 3.85Å; I1309-Y1316 HydrophobicContact CD1-CE2 3.87Å; I1309-Y1316 HydrophobicContact CG1-CD1 4.3Å; I1309-Y1316 HydrophobicContact CG1-CD2 3.96Å; I1309-Y1316 HydrophobicContact CG1-CE1 4.32Å; I1309-Y1316 HydrophobicContact CG1-CE2 3.97Å; I1309-Y1316 HydrophobicContact CG1-CG 4.13Å; I1309-Y1316 HydrophobicContact CG2-CD1 3.57Å; I1309-Y1316 HydrophobicContact CG2-CD2 4.44Å; I1309-Y1316 HydrophobicContact CG2-CE1 4.12Å; I1309-Y1316 HydrophobicContact CG2-CG 3.75Å |
| 1310 | S | 81 | Confident | 71.5 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -62.3 | -17.6 | 177 | 51.8 | 0 | 0 | 0 | 0 | 115.4 | P1308 | P1308-S1310 PolarHBondContact O-N 3.5Š|
| 1311 | L | 80.7 | Confident | 74.4 | Confident | 93 Ų | 93 | 76.4 Ų | 76.4 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -85.8 | -11.5 | 173.6 | -70.8 | 178.3 | 0 | 0 | 0 | 113.8 | Y1307 P1308 I1309 | Y1307-L1311 HydrophobicContact CD1-CB 4.48Å; Y1307-L1311 HydrophobicContact CE1-CB 3.65Å; Y1307-L1311 HydrophobicContact CE1-CD1 4.3Å; Y1307-L1311 HydrophobicContact CE2-CD1 3.96Å; P1308-L1311 HydrophobicContact CG-CD1 3.65Å; P1308-L1311 HydrophobicContact CG-CG 3.92Å; P1308-L1311 PolarHBondContact O-N 3.24Å; I1309-L1311 PolarHBondContact O-N 3.42Å |
| 1312 | S | 87.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -157.1 | 55.5 | -175.1 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | E841 Y1241 Y1307 I1309 H1314 Y1316 | E841-S1312 WeakPolarHBondContact OE2-CA 3.33Å; Y1241-S1312 VanDerWaalsContact CE1-OG 3.25Å; Y1241-S1312 WeakPolarHBondContact CE1-OG 3.48Å; Y1241-S1312 VanDerWaalsContact OH-CB 3.31Å; Y1241-S1312 WeakPolarHBondContact OH-CB 3.35Å; Y1241-S1312 PolarHBondContact OH-O 3.42Å; Y1241-S1312 PolarHBondContact OH-OG 2.98Å; Y1307-S1312 VanDerWaalsContact CE1-OG 3.31Å; Y1307-S1312 WeakPolarHBondContact CE1-OG 3.45Å; I1309-S1312 CarbonylContact O-C 3.37Å; I1309-S1312 PolarHBondContact O-N 3.41Å; S1312-H1314 PolarHBondContact O-N 3.28Å; S1312-Y1316 WeakPolarHBondContact O-CB 3.48Å; S1312-Y1316 PolarHBondContact O-N 3.05Å | ||
| 1313 | P | 85.3 | Confident | 80.1 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.5 | -32.6 | -171.3 | 27.8 | -36.1 | 0 | 0 | 0 | 113.5 | A1317 | P1313-A1317 WeakPolarHBondContact O-CB 3.38Å; P1313-A1317 PolarHBondContact O-N 3.29Å |
| 1314 | H | 90.1 | Very high | 82.7 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.4 | -41.8 | -177.9 | -59.7 | 96.4 | 0 | 0 | 0 | 111 | T833 E841 S1312 V1318 | T833-H1314 HydrophobicContact CG2-CB 4.37Å; E841-H1314 IonicContact OE1-CE1 3.44Å; E841-H1314 IonicContact OE1-CG 3.93Å; E841-H1314 IonicContact OE1-ND1 2.83Å; E841-H1314 PolarHBondContact OE1-ND1 3.21Å; E841-H1314 PolarHBondContact OE2-N 2.95Å; E841-H1314 VanDerWaalsContact OE2-N 3.14Å; E841-H1314 IonicContact OE2-ND1 2.6Å; S1312-H1314 PolarHBondContact O-N 3.28Å; H1314-V1318 PolarHBondContact O-N 3.32Å |
| 1315 | I | 90.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 174.1 | -62.8 | 176.4 | 0 | 0 | 0 | 110.2 | T833 E841 F842 L845 L1237 A1317 V1318 L1319 | T833-I1315 HydrophobicContact CG2-CG1 3.94Å; E841-I1315 HydrophobicContact CB-CD1 3.51Å; E841-I1315 HydrophobicContact CB-CG1 4.12Å; E841-I1315 PolarHBondContact OE2-N 3.28Å; F842-I1315 VanDerWaalsContact CA-CD1 3.46Å; F842-I1315 HydrophobicContact CB-CD1 3.76Å; F842-I1315 HydrophobicContact CD2-CD1 4.17Å; F842-I1315 HydrophobicContact CG-CD1 4.49Å; L845-I1315 HydrophobicContact CD2-CD1 4.3Å; L845-I1315 HydrophobicContact CD2-CG2 3.75Å; L1237-I1315 HydrophobicContact CD1-CG2 4.44Å; I1315-A1317 PolarHBondContact O-N 3.37Å; I1315-V1318 PolarHBondContact O-N 2.72Å; I1315-L1319 HydrophobicContact CG2-CD1 3.69Å; I1315-L1319 HydrophobicContact CG2-CG 4.18Å; I1315-L1319 WeakPolarHBondContact O-CG 3.29Å; I1315-L1319 PolarHBondContact O-N 3.13Å |
| 1316 | Y | 91 | Very high | 86.4 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | -179.7 | -178.5 | -100.4 | 0 | 0 | 0 | 112.7 | Y1241 H1242 I1309 S1312 V1318 L1319 I1320 | Y1241-Y1316 AromaticContact CD1-CD2 3.67Å; Y1241-Y1316 HydrophobicContact CD1-CD2 3.67Å; Y1241-Y1316 HydrophobicContact CD1-CE2 4.3Å; Y1241-Y1316 HydrophobicContact CD1-CG 4.46Å; Y1241-Y1316 AromaticContact CD2-CD2 3.8Å; Y1241-Y1316 HydrophobicContact CD2-CD2 3.8Å; Y1241-Y1316 HydrophobicContact CD2-CE2 4.4Å; Y1241-Y1316 AromaticContact CE1-CD2 3.94Å; Y1241-Y1316 HydrophobicContact CE1-CD2 3.94Å; Y1241-Y1316 HydrophobicContact CE1-CG 4.37Å; Y1241-Y1316 HydrophobicContact CE2-CD2 4.07Å; Y1241-Y1316 AromaticContact CG-CD2 3.57Å; Y1241-Y1316 HydrophobicContact CG-CD2 3.57Å; Y1241-Y1316 AromaticContact CG-CE2 3.97Å; Y1241-Y1316 HydrophobicContact CG-CE2 3.97Å; H1242-Y1316 AromaticContact NE2-CE2 3.5Å; H1242-Y1316 AromaticContact NE2-CZ 3.65Å; H1242-Y1316 PolarHBondContact NE2-OH 3.38Å; I1309-Y1316 HydrophobicContact CD1-CD1 4.31Å; I1309-Y1316 HydrophobicContact CD1-CD2 4.34Å; I1309-Y1316 HydrophobicContact CD1-CE1 3.85Å; I1309-Y1316 HydrophobicContact CD1-CE2 3.87Å; I1309-Y1316 HydrophobicContact CG1-CD1 4.3Å; I1309-Y1316 HydrophobicContact CG1-CD2 3.96Å; I1309-Y1316 HydrophobicContact CG1-CE1 4.32Å; I1309-Y1316 HydrophobicContact CG1-CE2 3.97Å; I1309-Y1316 HydrophobicContact CG1-CG 4.13Å; I1309-Y1316 HydrophobicContact CG2-CD1 3.57Å; I1309-Y1316 HydrophobicContact CG2-CD2 4.44Å; I1309-Y1316 HydrophobicContact CG2-CE1 4.12Å; I1309-Y1316 HydrophobicContact CG2-CG 3.75Å; S1312-Y1316 WeakPolarHBondContact O-CB 3.48Å; S1312-Y1316 PolarHBondContact O-N 3.05Å; Y1316-V1318 VanDerWaalsContact C-N 3.33Å; Y1316-V1318 PolarHBondContact O-N 3.26Å; Y1316-L1319 PolarHBondContact O-N 3.09Å; Y1316-I1320 HydrophobicContact CD1-CG1 4.27Å; Y1316-I1320 HydrophobicContact CD2-CG1 4.49Å; Y1316-I1320 HydrophobicContact CE1-CD1 4.44Å; Y1316-I1320 HydrophobicContact CE1-CG1 3.77Å; Y1316-I1320 HydrophobicContact CE2-CD1 4.08Å; Y1316-I1320 HydrophobicContact CE2-CG1 4.02Å; Y1316-I1320 WeakPolarHBondContact O-CG1 3.39Å; Y1316-I1320 PolarHBondContact O-N 3.1Å; Y1316-I1320 VanDerWaalsContact O-N 3.08Å |
| 1317 | A | 90 | Very high | 87.3 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1313 I1315 I1320 D1321 | P1313-A1317 WeakPolarHBondContact O-CB 3.38Å; P1313-A1317 PolarHBondContact O-N 3.29Å; I1315-A1317 PolarHBondContact O-N 3.37Å; A1317-I1320 PolarHBondContact O-N 2.76Å; A1317-D1321 PolarHBondContact O-N 3.39Å; A1317-D1321 VanDerWaalsContact O-N 3.17Å |
| 1318 | V | 92.2 | Very high | 87.6 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.9 | -33.2 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | F830 H1314 I1315 Y1316 I1320 L1322 | F830-V1318 HydrophobicContact CB-CG1 3.89Å; H1314-V1318 PolarHBondContact O-N 3.32Å; I1315-V1318 PolarHBondContact O-N 2.72Å; Y1316-V1318 VanDerWaalsContact C-N 3.33Å; Y1316-V1318 PolarHBondContact O-N 3.26Å; V1318-I1320 VanDerWaalsContact C-N 3.33Å; V1318-I1320 PolarHBondContact O-N 2.93Å; V1318-L1322 VanDerWaalsContact O-CB 3.27Å; V1318-L1322 WeakPolarHBondContact O-CB 3.46Å; V1318-L1322 PolarHBondContact O-N 2.96Å |
| 1319 | L | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 173.8 | -71 | 172.9 | 0 | 0 | 0 | 112.5 | F830 A1234 L1237 L1238 Y1241 I1315 Y1316 A1323 | F830-L1319 HydrophobicContact CD2-CD2 4.12Å; F830-L1319 HydrophobicContact CE2-CD2 3.64Å; F830-L1319 HydrophobicContact CE2-CG 4.38Å; F830-L1319 HydrophobicContact CZ-CD2 4.05Å; A1234-L1319 HydrophobicContact CB-CD2 3.63Å; L1237-L1319 HydrophobicContact CB-CD1 3.63Å; L1237-L1319 HydrophobicContact CB-CD2 4.37Å; L1238-L1319 HydrophobicContact CD1-CB 4.28Å; Y1241-L1319 HydrophobicContact CE2-CD1 3.84Å; I1315-L1319 HydrophobicContact CG2-CD1 3.69Å; I1315-L1319 HydrophobicContact CG2-CG 4.18Å; I1315-L1319 WeakPolarHBondContact O-CG 3.29Å; I1315-L1319 PolarHBondContact O-N 3.13Å; Y1316-L1319 PolarHBondContact O-N 3.09Å; L1319-A1323 WeakPolarHBondContact O-CB 3.32Å; L1319-A1323 PolarHBondContact O-N 2.87Å |
| 1320 | I | 90.9 | Very high | 87.8 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.8 | -46.1 | 175.8 | -66.4 | -64.7 | 0 | 0 | 0 | 111.4 | L1238 Y1316 A1317 V1318 L1322 A1323 E1324 | L1238-I1320 HydrophobicContact CD1-CD1 3.91Å; Y1316-I1320 HydrophobicContact CD1-CG1 4.27Å; Y1316-I1320 HydrophobicContact CD2-CG1 4.49Å; Y1316-I1320 HydrophobicContact CE1-CD1 4.44Å; Y1316-I1320 HydrophobicContact CE1-CG1 3.77Å; Y1316-I1320 HydrophobicContact CE2-CD1 4.08Å; Y1316-I1320 HydrophobicContact CE2-CG1 4.02Å; Y1316-I1320 WeakPolarHBondContact O-CG1 3.39Å; Y1316-I1320 PolarHBondContact O-N 3.1Å; Y1316-I1320 VanDerWaalsContact O-N 3.08Å; A1317-I1320 PolarHBondContact O-N 2.76Å; V1318-I1320 VanDerWaalsContact C-N 3.33Å; V1318-I1320 PolarHBondContact O-N 2.93Å; I1320-L1322 VanDerWaalsContact C-N 3.28Å; I1320-L1322 PolarHBondContact O-N 3.2Å; I1320-A1323 PolarHBondContact O-N 3.45Å; I1320-A1323 VanDerWaalsContact O-N 3.16Å; I1320-E1324 PolarHBondContact O-N 3.13Å |
| 1321 | D | 90.6 | Very high | 87.7 | Confident | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.6 | -43.3 | 173.2 | 167.2 | 77.5 | 0 | 0 | 0 | 112 | A1317 E1324 K1325 | A1317-D1321 PolarHBondContact O-N 3.39Å; A1317-D1321 VanDerWaalsContact O-N 3.17Å; D1321-E1324 PolarHBondContact O-N 2.83Å; D1321-K1325 WeakPolarHBondContact O-CB 3.3Å; D1321-K1325 WeakPolarHBondContact O-CG 3.5Å; D1321-K1325 PolarHBondContact O-N 3.07Å; D1321-K1325 WeakPolarHBondContact OD1-CE 3.35Å; D1321-K1325 IonicContact OD1-NZ 3.18Å; D1321-K1325 PolarHBondContact OD1-NZ 3.29Å; D1321-K1325 IonicContact OD2-NZ 3.73Å; D1321-K1325 PolarHBondContact OD2-NZ 2.92Å |
| 1322 | L | 91.7 | Very high | 87.3 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 176.8 | -170.6 | 70.4 | 0 | 0 | 0 | 112.5 | I801 I822 Y827 F830 A1234 V1318 I1320 T1326 | I801-L1322 HydrophobicContact CD1-CD2 4.14Å; I801-L1322 HydrophobicContact CD1-CG 4.35Å; I822-L1322 HydrophobicContact CD1-CD1 3.87Å; Y827-L1322 HydrophobicContact CD1-CD1 3.7Å; Y827-L1322 HydrophobicContact CD1-CD2 3.83Å; Y827-L1322 HydrophobicContact CD1-CG 4.36Å; Y827-L1322 HydrophobicContact CE1-CD1 3.83Å; Y827-L1322 HydrophobicContact CE1-CD2 3.86Å; Y827-L1322 HydrophobicContact CE1-CG 4.26Å; Y827-L1322 HydrophobicContact CG-CD1 4.3Å; F830-L1322 HydrophobicContact CD1-CD2 4.41Å; A1234-L1322 HydrophobicContact CB-CD2 3.57Å; V1318-L1322 VanDerWaalsContact O-CB 3.27Å; V1318-L1322 WeakPolarHBondContact O-CB 3.46Å; V1318-L1322 PolarHBondContact O-N 2.96Å; I1320-L1322 VanDerWaalsContact C-N 3.28Å; I1320-L1322 PolarHBondContact O-N 3.2Å; L1322-T1326 WeakPolarHBondContact O-CB 3.17Å; L1322-T1326 PolarHBondContact O-N 2.79Å; L1322-T1326 PolarHBondContact O-OG1 3.05Å |
| 1323 | A | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I801 L1238 L1319 I1320 T1326 H1327 | I801-A1323 HydrophobicContact CD1-CB 4.33Å; I801-A1323 HydrophobicContact CG1-CB 3.92Å; L1238-A1323 HydrophobicContact CD2-CB 3.87Å; L1319-A1323 WeakPolarHBondContact O-CB 3.32Å; L1319-A1323 PolarHBondContact O-N 2.87Å; I1320-A1323 PolarHBondContact O-N 3.45Å; I1320-A1323 VanDerWaalsContact O-N 3.16Å; A1323-T1326 PolarHBondContact O-N 2.78Å; A1323-H1327 PolarHBondContact O-N 3.01Å |
| 1324 | E | 89 | Confident | 85.3 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 175.8 | -171.8 | 177.6 | 150.1 | 0 | 0 | 111.1 | Y799 I1320 D1321 T1326 H1327 Q1328 | Y799-E1324 HydrophobicContact CD2-CB 3.89Å; Y799-E1324 HydrophobicContact CD2-CG 4.23Å; Y799-E1324 HydrophobicContact CE1-CG 4.33Å; Y799-E1324 HydrophobicContact CE2-CB 3.87Å; Y799-E1324 HydrophobicContact CE2-CG 3.74Å; Y799-E1324 HydrophobicContact CG-CB 4.38Å; I1320-E1324 PolarHBondContact O-N 3.13Å; D1321-E1324 PolarHBondContact O-N 2.83Å; E1324-T1326 VanDerWaalsContact C-N 3.27Å; E1324-T1326 PolarHBondContact O-N 3.35Å; E1324-H1327 CarbonylContact O-C 3.57Å; E1324-H1327 WeakPolarHBondContact O-CA 3.23Å; E1324-H1327 WeakPolarHBondContact O-CB 3.47Å; E1324-H1327 PolarHBondContact O-N 3.29Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.36Å; E1324-Q1328 PolarHBondContact O-N 3.22Å; E1324-Q1328 PolarHBondContact OE1-NE2 3.04Å |
| 1325 | K | 89.2 | Confident | 83 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 173.4 | -74.3 | 166.1 | -179.4 | 163.4 | 0 | 112.1 | I822 Y826 D1321 H1327 Q1328 F1329 | I822-K1325 HydrophobicContact CD1-CB 4.18Å; Y826-K1325 HydrophobicContact CD1-CD 4.11Å; D1321-K1325 WeakPolarHBondContact O-CB 3.3Å; D1321-K1325 WeakPolarHBondContact O-CG 3.5Å; D1321-K1325 PolarHBondContact O-N 3.07Å; D1321-K1325 WeakPolarHBondContact OD1-CE 3.35Å; D1321-K1325 IonicContact OD1-NZ 3.18Å; D1321-K1325 PolarHBondContact OD1-NZ 3.29Å; D1321-K1325 IonicContact OD2-NZ 3.73Å; D1321-K1325 PolarHBondContact OD2-NZ 2.92Å; K1325-H1327 VanDerWaalsContact C-N 3.33Å; K1325-H1327 PolarHBondContact O-N 3.22Å; K1325-Q1328 PolarHBondContact O-N 3.45Å; K1325-F1329 WeakPolarHBondContact O-CD2 3.31Å; K1325-F1329 PolarHBondContact O-N 2.93Å |
| 1326 | T | 88.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | H820 I822 L1322 A1323 E1324 V1330 | H820-T1326 HydrophobicContact CB-CG2 3.49Å; H820-T1326 VanDerWaalsContact CB-CG2 3.49Å; I822-T1326 HydrophobicContact CG2-CG2 4.32Å; L1322-T1326 WeakPolarHBondContact O-CB 3.17Å; L1322-T1326 PolarHBondContact O-N 2.79Å; L1322-T1326 PolarHBondContact O-OG1 3.05Å; A1323-T1326 PolarHBondContact O-N 2.78Å; E1324-T1326 VanDerWaalsContact C-N 3.27Å; E1324-T1326 PolarHBondContact O-N 3.35Å; T1326-V1330 WeakPolarHBondContact O-CA 3.26Å; T1326-V1330 PolarHBondContact O-N 2.78Å |
| 1327 | H | 86 | Confident | 79.8 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.7 | -32.1 | 175.5 | -172.8 | 68.8 | 0 | 0 | 0 | 113.4 | Y799 A1323 E1324 K1325 V1330 L1331 | Y799-H1327 HydrophobicContact CD1-CB 3.93Å; Y799-H1327 AromaticContact CD1-CD2 3.78Å; Y799-H1327 AromaticContact CD1-CG 3.87Å; Y799-H1327 AromaticContact CE1-CD2 3.77Å; A1323-H1327 PolarHBondContact O-N 3.01Å; E1324-H1327 CarbonylContact O-C 3.57Å; E1324-H1327 WeakPolarHBondContact O-CA 3.23Å; E1324-H1327 WeakPolarHBondContact O-CB 3.47Å; E1324-H1327 PolarHBondContact O-N 3.29Å; K1325-H1327 VanDerWaalsContact C-N 3.33Å; K1325-H1327 PolarHBondContact O-N 3.22Å; H1327-V1330 WeakPolarHBondContact O-CA 3.44Å; H1327-V1330 PolarHBondContact O-N 2.86Å; H1327-L1331 WeakPolarHBondContact O-CG 3.48Å; H1327-L1331 PolarHBondContact O-N 2.79Å |
| 1328 | Q | 85.1 | Confident | 79.3 | Confident | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -46.6 | 173.8 | -68.1 | 175.5 | 13.5 | 0 | 0 | 111.5 | E1324 K1325 V1330 L1331 A1332 | E1324-Q1328 WeakPolarHBondContact O-CG 3.36Å; E1324-Q1328 PolarHBondContact O-N 3.22Å; E1324-Q1328 PolarHBondContact OE1-NE2 3.04Å; K1325-Q1328 PolarHBondContact O-N 3.45Å; Q1328-V1330 VanDerWaalsContact C-N 3.3Å; Q1328-V1330 PolarHBondContact O-N 3.03Å; Q1328-L1331 PolarHBondContact O-N 2.82Å; Q1328-A1332 WeakPolarHBondContact O-CB 3.43Å; Q1328-A1332 PolarHBondContact O-N 3.19Å |
| 1329 | F | 82.3 | Confident | 78.6 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 170.3 | -89.8 | -91.9 | 0 | 0 | 0 | 111.7 | L677 I822 P823 Y826 K1325 A1332 N1333 | L677-F1329 HydrophobicContact CB-CD1 4.12Å; L677-F1329 HydrophobicContact CD1-CB 4.24Å; L677-F1329 HydrophobicContact CD2-CB 4.44Å; I822-F1329 HydrophobicContact CG2-CB 3.9Å; I822-F1329 HydrophobicContact CG2-CD2 4.06Å; I822-F1329 HydrophobicContact CG2-CG 4Å; P823-F1329 HydrophobicContact CG-CE1 3.98Å; P823-F1329 HydrophobicContact CG-CZ 4.01Å; Y826-F1329 HydrophobicContact CD2-CE2 4.18Å; Y826-F1329 AromaticContact CE2-CE2 3.46Å; Y826-F1329 HydrophobicContact CE2-CE2 3.46Å; Y826-F1329 VanDerWaalsContact CE2-CE2 3.46Å; Y826-F1329 AromaticContact CE2-CZ 3.57Å; Y826-F1329 HydrophobicContact CE2-CZ 3.57Å; Y826-F1329 AromaticContact CZ-CE2 3.72Å; Y826-F1329 AromaticContact CZ-CZ 3.98Å; K1325-F1329 WeakPolarHBondContact O-CD2 3.31Å; K1325-F1329 PolarHBondContact O-N 2.93Å; F1329-A1332 PolarHBondContact O-N 2.93Å; F1329-N1333 PolarHBondContact O-N 2.89Å; F1329-N1333 VanDerWaalsContact O-N 3.08Å; F1329-N1333 PolarHBondContact O-ND2 3.16Å |
| 1330 | V | 79.5 | Confident | 77.8 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -21.4 | -79.8 | 155.3 | -163 | 0 | 0 | 0 | 0 | 114 | L677 H820 T1326 H1327 Q1328 R1334 | L677-V1330 HydrophobicContact CD1-CG2 4.13Å; L677-V1330 HydrophobicContact CD2-CG2 3.48Å; L677-V1330 VanDerWaalsContact CD2-CG2 3.48Å; L677-V1330 HydrophobicContact CG-CG2 4.43Å; H820-V1330 HydrophobicContact CB-CG2 4.29Å; T1326-V1330 WeakPolarHBondContact O-CA 3.26Å; T1326-V1330 PolarHBondContact O-N 2.78Å; H1327-V1330 WeakPolarHBondContact O-CA 3.44Å; H1327-V1330 PolarHBondContact O-N 2.86Å; Q1328-V1330 VanDerWaalsContact C-N 3.3Å; Q1328-V1330 PolarHBondContact O-N 3.03Å; V1330-R1334 HydrophobicContact CG1-CG 4.33Å; V1330-R1334 WeakPolarHBondContact O-CG 3.31Å; V1330-R1334 PolarHBondContact O-N 3.01Å |
| 1331 | L | 78.6 | Confident | 77 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 45% | 0.45 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | -174.4 | -63.5 | 172 | 0 | 0 | 0 | 112.2 | H1327 Q1328 N1333 R1334 L1335 | H1327-L1331 WeakPolarHBondContact O-CG 3.48Å; H1327-L1331 PolarHBondContact O-N 2.79Å; Q1328-L1331 PolarHBondContact O-N 2.82Å; L1331-N1333 VanDerWaalsContact C-N 3.32Å; L1331-N1333 PolarHBondContact O-N 3.04Å; L1331-R1334 PolarHBondContact O-N 3.05Å; L1331-L1335 WeakPolarHBondContact O-CG 3.43Å; L1331-L1335 PolarHBondContact O-N 3.16Å |
| 1332 | A | 72.4 | Confident | 76.1 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1328 F1329 R1334 L1335 | Q1328-A1332 WeakPolarHBondContact O-CB 3.43Å; Q1328-A1332 PolarHBondContact O-N 3.19Å; F1329-A1332 PolarHBondContact O-N 2.93Å; A1332-R1334 VanDerWaalsContact C-N 3.31Å; A1332-R1334 PolarHBondContact O-N 2.83Å; A1332-L1335 PolarHBondContact O-N 3.43Å |
| 1333 | N | 66 | Low | 74.9 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.3 | 179.4 | -65.8 | -98.6 | 0 | 0 | 0 | 113.5 | L677 F1329 L1331 | L677-N1333 HydrophobicContact CD2-CB 3.81Å; F1329-N1333 PolarHBondContact O-N 2.89Å; F1329-N1333 VanDerWaalsContact O-N 3.08Å; F1329-N1333 PolarHBondContact O-ND2 3.16Å; L1331-N1333 VanDerWaalsContact C-N 3.32Å; L1331-N1333 PolarHBondContact O-N 3.04Å |
| 1334 | R | 63.9 | Low | 73.7 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 44% | 0.438 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -8.3 | 168.7 | -75.1 | -175.9 | -178.1 | -173.8 | 4.3 | 112.9 | N763 V1330 L1331 A1332 | N763-R1334 PolarHBondContact OD1-NH1 3.22Å; N763-R1334 PolarHBondContact OD1-NH2 3Å; N763-R1334 VanDerWaalsContact OD1-NH2 3.11Å; V1330-R1334 HydrophobicContact CG1-CG 4.33Å; V1330-R1334 WeakPolarHBondContact O-CG 3.31Å; V1330-R1334 PolarHBondContact O-N 3.01Å; L1331-R1334 PolarHBondContact O-N 3.05Å; A1332-R1334 VanDerWaalsContact C-N 3.31Å; A1332-R1334 PolarHBondContact O-N 2.83Å |
| 1335 | L | 42.2 | Very low | 72.4 | Confident | 156 Ų | 156 | 76.7 Ų | 76.7 | 82% | 0.817 | 40% | 0.395 | S | S | * | . | trans | -97.2 | -1.5 | 175.7 | -68.9 | 167.6 | 0 | 0 | 0 | 112.7 | L1331 A1332 | L1331-L1335 WeakPolarHBondContact O-CG 3.43Å; L1331-L1335 PolarHBondContact O-N 3.16Å; A1332-L1335 PolarHBondContact O-N 3.43Å | ||
| 1336 | T | 35.7 | Very low | 70.9 | Confident | 130 Ų | 130 | 78 Ų | 78 | 80% | 0.798 | 41% | 0.407 | S | S | * | . | trans | -116.8 | 0 | 180 | 56.3 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 1,336 of 1,336 residues in 1774.7 ms
(Link to these results)