| 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 | 29.7 | Very low | 35.2 | Very low | 232 Ų | 232 | 144.3 Ų | 144.3 | 100% | 1.143 | 79% | 0.786 | S | S | * | * | 0 | 136.8 | 0 | -70.5 | 164 | 67.4 | 0 | 0 | 107.7 | |||||
| 2 | S | 28.3 | Very low | 38.4 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -74.5 | 137.1 | 164.9 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | N | 31.7 | Very low | 42.1 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -147.3 | 130.7 | 156.1 | -108.2 | -17.4 | 0 | 0 | 0 | 108.9 | ||||
| 4 | N | 27.6 | Very low | 45.4 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | trans | -83.5 | 124.1 | -166.5 | -61.8 | -28.9 | 0 | 0 | 0 | 111.5 | ||||
| 5 | C | 27.5 | Very low | 48.5 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 81% | 0.811 | 67% | 0.669 | S | S | * | * | trans | -112.9 | 112.7 | 150 | -79 | 0 | 0 | 0 | 0 | 107.8 | L7 | C5-L7 PolarHBondContact O-N 3.41Š| ||
| 6 | H | 28.5 | Very low | 51.3 | Low | 185 Ų | 185 | 116.1 Ų | 116.1 | 86% | 0.856 | 63% | 0.63 | S | S | * | * | trans | -69.6 | 83.3 | 170.4 | -94.6 | -92.8 | 0 | 0 | 0 | 109.6 | S8 | H6-S8 PolarHBondContact O-N 3.12Š| ||
| 7 | L | 30.2 | Very low | 53.9 | Low | 156 Ų | 156 | 109.3 Ų | 109.3 | 82% | 0.817 | 59% | 0.593 | S | S | * | * | trans | -67.2 | 104.3 | 150.2 | -88.7 | 157.1 | 0 | 0 | 0 | 106.5 | C5 L9 | C5-L7 PolarHBondContact O-N 3.41Å; L7-L9 PolarHBondContact O-N 2.87Å | ||
| 8 | S | 36 | Very low | 56 | Low | 87 Ų | 87 | 103.2 Ų | 103.2 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | trans | -56.3 | 129 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | H6 T10 | H6-S8 PolarHBondContact O-N 3.12Å; S8-T10 VanDerWaalsContact C-N 3.29Å; S8-T10 PolarHBondContact O-N 3.35Å | ||
| 9 | L | 39.4 | Very low | 58 | Low | 166 Ų | 166 | 97.8 Ų | 97.8 | 87% | 0.869 | 53% | 0.531 | S | S | * | . | trans | -63.2 | 96.5 | 163.5 | -83.5 | 75.2 | 0 | 0 | 0 | 107.5 | L7 E11 | L7-L9 PolarHBondContact O-N 2.87Å; L9-E11 PolarHBondContact O-N 3.14Å; L9-E11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | T | 50.5 | Low | 59.6 | Low | 66 Ų | 66 | 92.9 Ų | 92.9 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | trans | -69.5 | 104 | 166.2 | 51.2 | 0 | 0 | 0 | 0 | 106.9 | S8 T12 | S8-T10 VanDerWaalsContact C-N 3.29Å; S8-T10 PolarHBondContact O-N 3.35Å; T10-T12 PolarHBondContact O-N 2.87Å | ||
| 11 | E | 57.2 | Low | 60.8 | Low | 170 Ų | 170 | 88.5 Ų | 88.5 | 79% | 0.794 | 48% | 0.481 | S | S | * | . | trans | -56.8 | 106.7 | -178.9 | -66.6 | -173.1 | 136.2 | 0 | 0 | 110.3 | L9 K13 | L9-E11 PolarHBondContact O-N 3.14Å; L9-E11 VanDerWaalsContact O-N 3.14Å; E11-K13 PolarHBondContact O-N 3.04Å | ||
| 12 | T | 73.5 | Confident | 63.2 | Low | 95 Ų | 95 | 78.1 Ų | 78.1 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | trans | -77.7 | 87.6 | -178 | 52.6 | 0 | 0 | 0 | 0 | 110 | T10 L14 I79 | T10-T12 PolarHBondContact O-N 2.87Å; T12-L14 PolarHBondContact O-N 3.01Å; T12-L14 VanDerWaalsContact O-N 3.17Å; T12-I79 WeakPolarHBondContact CA-O 3.41Å; T12-I79 HydrophobicContact CG2-CB 4.4Å; T12-I79 HydrophobicContact CG2-CG2 4.43Å | ||
| 13 | K | 86.5 | Confident | 65.6 | Low | 76 Ų | 76 | 75.1 Ų | 75.1 | 33% | 0.33 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 110 | -178.8 | -165.4 | -180 | -175.2 | -171.1 | 0 | 110.3 | E11 I15 I79 I80 K81 Y248 E252 | E11-K13 PolarHBondContact O-N 3.04Å; K13-I15 HydrophobicContact CD-CD1 4.34Å; K13-I15 HydrophobicContact CG-CD1 4.46Å; K13-I15 HydrophobicContact CG-CG1 4.47Å; K13-I79 PolarHBondContact N-O 3.42Å; K13-I80 HydrophobicContact CB-CD1 3.84Å; K13-I80 HydrophobicContact CD-CD1 4.18Å; K13-K81 PolarHBondContact O-N 2.81Å; K13-Y248 HydrophobicContact CD-CE2 4.41Å; K13-Y248 PolarHBondContact NZ-OH 2.94Å; K13-E252 IonicContact NZ-OE1 3.54Å; K13-E252 PolarHBondContact NZ-OE1 2.85Å |
| 14 | L | 89.5 | Confident | 67.8 | Low | 89 Ų | 89 | 70.8 Ų | 70.8 | 47% | 0.466 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 136.4 | 171.2 | -174 | 71.7 | 0 | 0 | 0 | 109.4 | T12 K81 Q83 | T12-L14 PolarHBondContact O-N 3.01Å; T12-L14 VanDerWaalsContact O-N 3.17Å; L14-K81 WeakPolarHBondContact CA-O 3.43Å; L14-K81 HydrophobicContact CD1-CB 4.2Å; L14-K81 HydrophobicContact CD1-CD 3.92Å; L14-K81 HydrophobicContact CD1-CG 3.86Å; L14-Q83 HydrophobicContact CD1-CB 4.24Å |
| 15 | I | 91.8 | Very high | 70.5 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 124.9 | 177.9 | -77.5 | 174.1 | 0 | 0 | 0 | 109.6 | K13 I17 I80 K81 F82 Q83 Y248 M251 | K13-I15 HydrophobicContact CD-CD1 4.34Å; K13-I15 HydrophobicContact CG-CD1 4.46Å; K13-I15 HydrophobicContact CG-CG1 4.47Å; I15-I17 HydrophobicContact CG2-CD1 4.21Å; I15-I17 HydrophobicContact CG2-CG1 3.99Å; I15-I80 HydrophobicContact CD1-CG2 4Å; I15-K81 PolarHBondContact N-O 2.94Å; I15-F82 HydrophobicContact CB-CD1 4.34Å; I15-F82 HydrophobicContact CG2-CD1 3.99Å; I15-F82 HydrophobicContact CG2-CE1 4.26Å; I15-F82 CarbonylContact O-C 3.57Å; I15-F82 WeakPolarHBondContact O-CA 3.43Å; I15-Q83 PolarHBondContact O-N 2.93Å; I15-Y248 HydrophobicContact CD1-CD2 3.41Å; I15-Y248 VanDerWaalsContact CD1-CD2 3.41Å; I15-Y248 HydrophobicContact CD1-CE2 3.38Å; I15-M251 HydrophobicContact CB-CE 4.18Å; I15-M251 HydrophobicContact CD1-CE 3.63Å; I15-M251 HydrophobicContact CD1-SD 4.37Å; I15-M251 HydrophobicContact CG1-CE 3.63Å; I15-M251 HydrophobicContact CG2-CE 3.57Å; I15-M251 HydrophobicContact CG2-SD 3.7Å |
| 16 | T | 93 | Very high | 73.5 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.4 | 178.5 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | L85 V152 E153 V154 D155 G156 | T16-L85 HydrophobicContact CG2-CD1 3.6Å; T16-L85 HydrophobicContact CG2-CG 4.37Å; T16-V152 HydrophobicContact CG2-CG1 3.83Å; T16-E153 WeakPolarHBondContact CB-O 3.49Å; T16-E153 PolarHBondContact OG1-O 2.81Å; T16-V154 HydrophobicContact CG2-CG2 4.23Å; T16-D155 PolarHBondContact N-OD2 3.11Å; T16-D155 WeakPolarHBondContact O-CB 3.26Å; T16-D155 PolarHBondContact O-N 3.22Å; T16-G156 PolarHBondContact O-N 3.13Å |
| 17 | I | 94.7 | Very high | 76.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125 | 179.7 | -66.2 | 171.5 | 0 | 0 | 0 | 110.9 | I15 V19 F82 Q83 I84 L85 G156 I158 F244 L247 | I15-I17 HydrophobicContact CG2-CD1 4.21Å; I15-I17 HydrophobicContact CG2-CG1 3.99Å; I17-V19 HydrophobicContact CG2-CG2 4.18Å; I17-F82 HydrophobicContact CD1-CD1 3.51Å; I17-F82 HydrophobicContact CD1-CE1 3.96Å; I17-F82 HydrophobicContact CD1-CG 4.49Å; I17-Q83 PolarHBondContact N-O 3.44Å; I17-I84 HydrophobicContact CB-CD1 4.29Å; I17-L85 PolarHBondContact O-N 3.32Å; I17-G156 WeakPolarHBondContact CA-O 3.34Å; I17-I158 HydrophobicContact CG2-CD1 3.99Å; I17-I158 HydrophobicContact CG2-CG1 3.94Å; I17-F244 HydrophobicContact CD1-CD1 3.65Å; I17-F244 HydrophobicContact CD1-CE1 4.16Å; I17-F244 HydrophobicContact CG2-CE1 4.14Å; I17-L247 HydrophobicContact CB-CD2 4.48Å; I17-L247 HydrophobicContact CD1-CD2 3.89Å; I17-L247 HydrophobicContact CG1-CD2 3.88Å; I17-L247 HydrophobicContact CG2-CD2 3.82Å |
| 18 | G | 92.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 109.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G156 F157 I158 | G18-G156 PolarHBondContact N-O 3.26Å; G18-F157 CarbonylContact O-C 3.48Å; G18-F157 VanDerWaalsContact O-CA 3.25Å; G18-F157 WeakPolarHBondContact O-CA 3.38Å; G18-I158 PolarHBondContact O-N 2.94Å |
| 19 | V | 93.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.6 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | I17 K27 F30 I84 L85 E86 H87 I158 I160 | I17-V19 HydrophobicContact CG2-CG2 4.18Å; V19-K27 HydrophobicContact CG1-CB 4.26Å; V19-F30 HydrophobicContact CG1-CD1 4.26Å; V19-I84 HydrophobicContact CG2-CG2 4.32Å; V19-L85 PolarHBondContact N-O 2.83Å; V19-E86 CarbonylContact O-C 3.5Å; V19-E86 WeakPolarHBondContact O-CA 3.25Å; V19-H87 PolarHBondContact O-N 3.06Å; V19-I158 WeakPolarHBondContact CA-O 3.34Å; V19-I158 HydrophobicContact CG2-CB 4.37Å; V19-I160 HydrophobicContact CG1-CD1 4Å; V19-I160 HydrophobicContact CG1-CG1 3.52Å |
| 20 | I | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 166.3 | -172.6 | 77.3 | 167.2 | 0 | 0 | 0 | 110.5 | H87 S118 I119 F157 I158 L159 I160 F191 | I20-H87 HydrophobicContact CG2-CB 4.2Å; I20-S118 VanDerWaalsContact CG2-O 3.25Å; I20-S118 WeakPolarHBondContact CG2-O 3.47Å; I20-I119 HydrophobicContact CD1-CD1 3.85Å; I20-I119 HydrophobicContact CD1-CG1 3.57Å; I20-F157 HydrophobicContact CG2-CD1 4Å; I20-F157 HydrophobicContact CG2-CE1 4.49Å; I20-I158 PolarHBondContact N-O 3.34Å; I20-L159 HydrophobicContact CD1-CD1 4.22Å; I20-L159 HydrophobicContact CG1-CB 4.17Å; I20-L159 HydrophobicContact CG1-CD1 3.85Å; I20-I160 PolarHBondContact O-N 3.07Å; I20-F191 HydrophobicContact CD1-CE1 3.79Å; I20-F191 HydrophobicContact CD1-CE2 4.3Å; I20-F191 HydrophobicContact CD1-CZ 3.39Å; I20-F191 HydrophobicContact CG1-CZ 4.13Å |
| 21 | G | 85.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.8 | -178 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y114 | G21-Y114 VanDerWaalsContact O-CE1 3.32Å; G21-Y114 WeakPolarHBondContact O-CE1 3.4Å; G21-Y114 PolarHBondContact O-OH 3.08Å |
| 22 | L | 79.7 | Confident | 88.5 | Confident | 13 Ų | 13 | 21 Ų | 21 | 7% | 0.068 | 13% | 0.134 | C | C | . | . | trans | -61.4 | 152 | 179 | -75.4 | 128.7 | 0 | 0 | 0 | 112.4 | S25 F111 N180 V183 | L22-S25 WeakPolarHBondContact O-CB 3.42Å; L22-S25 PolarHBondContact O-N 2.91Å; L22-S25 PolarHBondContact O-OG 2.85Å; L22-F111 HydrophobicContact CD2-CE1 4.29Å; L22-F111 HydrophobicContact CD2-CE2 3.74Å; L22-F111 HydrophobicContact CD2-CZ 3.41Å; L22-F111 VanDerWaalsContact CD2-CZ 3.41Å; L22-F111 HydrophobicContact CG-CZ 3.83Å; L22-N180 HydrophobicContact CD1-CB 4.31Å; L22-N180 WeakPolarHBondContact CD1-OD1 3.47Å; L22-N180 VanDerWaalsContact CD2-OD1 3.25Å; L22-N180 WeakPolarHBondContact CD2-OD1 3.4Å; L22-V183 HydrophobicContact CD1-CG1 4.19Å; L22-V183 HydrophobicContact CD2-CG1 4.45Å; L22-V183 HydrophobicContact CG-CG1 4.13Å | ||
| 23 | P | 77.3 | Confident | 89.4 | Confident | 44 Ų | 44 | 17.3 Ų | 17.3 | 29% | 0.286 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 148.1 | 158.4 | -23.2 | 35.2 | 0 | 0 | 0 | 110.6 | S25 F111 | P23-S25 PolarHBondContact O-N 3.18Å; P23-F111 HydrophobicContact CG-CE2 4.44Å |
| 24 | G | 79.6 | Confident | 89.8 | Confident | 64 Ų | 64 | 13.8 Ų | 13.8 | 66% | 0.66 | 9% | 0.094 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -14.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | G26 K204 | G24-G26 PolarHBondContact O-N 3.14Å; G24-K204 PolarHBondContact O-NZ 2.94Å |
| 25 | S | 84.4 | Confident | 89.9 | Confident | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -68.4 | 8.4 | -175 | 64.5 | 0 | 0 | 0 | 0 | 116.6 | L22 P23 K27 I160 S203 | L22-S25 WeakPolarHBondContact O-CB 3.42Å; L22-S25 PolarHBondContact O-N 2.91Å; L22-S25 PolarHBondContact O-OG 2.85Å; P23-S25 PolarHBondContact O-N 3.18Å; S25-K27 WeakPolarHBondContact OG-CG 3.46Å; S25-I160 WeakPolarHBondContact O-CG2 3.39Å; S25-S203 PolarHBondContact O-OG 3Å |
| 26 | G | 89.1 | Confident | 89.8 | Confident | 12 Ų | 12 | 13.7 Ų | 13.7 | 12% | 0.124 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 81.6 | 10.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G24 S28 C29 F30 | G24-G26 PolarHBondContact O-N 3.14Å; G26-S28 VanDerWaalsContact C-N 3.3Å; G26-S28 PolarHBondContact O-N 2.93Å; G26-C29 WeakPolarHBondContact O-CB 3.37Å; G26-C29 PolarHBondContact O-N 3.17Å; G26-C29 VanDerWaalsContact O-N 3.11Å; G26-F30 PolarHBondContact O-N 2.97Å |
| 27 | K | 90.9 | Very high | 89.6 | Confident | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -52.3 | -45.6 | 179.6 | -33.9 | -171.7 | -54.4 | -45 | 0 | 112.9 | V19 S25 F30 C31 E86 H87 T88 I160 | V19-K27 HydrophobicContact CG1-CB 4.26Å; S25-K27 WeakPolarHBondContact OG-CG 3.46Å; K27-F30 WeakPolarHBondContact O-CB 3.21Å; K27-F30 PolarHBondContact O-N 2.74Å; K27-C31 PolarHBondContact O-N 3.42Å; K27-C31 PolarHBondContact O-SG 2.81Å; K27-E86 HydrophobicContact CB-CG 3.96Å; K27-E86 WeakPolarHBondContact CB-OE1 3.31Å; K27-E86 WeakPolarHBondContact CE-OE1 3.17Å; K27-E86 IonicContact NZ-OE1 2.71Å; K27-E86 PolarHBondContact NZ-OE1 2.98Å; K27-H87 WeakPolarHBondContact CE-O 3.49Å; K27-H87 PolarHBondContact NZ-O 3.17Å; K27-T88 PolarHBondContact NZ-OG1 3.22Å; K27-I160 HydrophobicContact CB-CG1 4.12Å; K27-I160 HydrophobicContact CG-CB 3.99Å; K27-I160 HydrophobicContact CG-CG1 4.1Å; K27-I160 HydrophobicContact CG-CG2 4.17Å |
| 28 | S | 91.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 178.6 | 41.2 | 0 | 0 | 0 | 0 | 112 | G26 C31 N32 H47 W68 E86 | G26-S28 VanDerWaalsContact C-N 3.3Å; G26-S28 PolarHBondContact O-N 2.93Å; S28-C31 PolarHBondContact O-N 3.29Å; S28-N32 WeakPolarHBondContact O-CB 3.35Å; S28-N32 PolarHBondContact O-N 3.48Å; S28-H47 VanDerWaalsContact CB-NE2 3.32Å; S28-H47 WeakPolarHBondContact CB-NE2 3.41Å; S28-H47 PolarHBondContact OG-NE2 3.31Å; S28-W68 WeakPolarHBondContact O-CZ2 3.33Å; S28-E86 VanDerWaalsContact CA-OE2 3.26Å; S28-E86 WeakPolarHBondContact CA-OE2 3.36Å; S28-E86 VanDerWaalsContact CB-OE2 3.26Å; S28-E86 WeakPolarHBondContact CB-OE2 3.47Å |
| 29 | C | 93 | Very high | 89.4 | Confident | 13 Ų | 13 | 23.2 Ų | 23.2 | 9% | 0.088 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 172.7 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | G26 R33 Y42 K44 A234 | G26-C29 WeakPolarHBondContact O-CB 3.37Å; G26-C29 PolarHBondContact O-N 3.17Å; G26-C29 VanDerWaalsContact O-N 3.11Å; C29-R33 WeakPolarHBondContact O-CB 3.48Å; C29-R33 PolarHBondContact O-N 3.43Å; C29-Y42 WeakPolarHBondContact O-CE2 3.32Å; C29-K44 PolarHBondContact SG-O 3.44Å; C29-A234 HydrophobicContact CB-CB 4.02Å |
| 30 | F | 94.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 175.9 | 175.6 | -90.4 | 0 | 0 | 0 | 112.3 | V19 G26 K27 R33 F34 I158 I160 V201 T232 I240 A243 F244 | V19-F30 HydrophobicContact CG1-CD1 4.26Å; G26-F30 PolarHBondContact O-N 2.97Å; K27-F30 WeakPolarHBondContact O-CB 3.21Å; K27-F30 PolarHBondContact O-N 2.74Å; F30-R33 PolarHBondContact O-N 3.24Å; F30-F34 PolarHBondContact O-N 2.75Å; F30-I158 HydrophobicContact CE1-CD1 3.96Å; F30-I158 HydrophobicContact CE1-CG2 3.99Å; F30-I158 HydrophobicContact CZ-CD1 4.14Å; F30-I158 HydrophobicContact CZ-CG2 4.14Å; F30-I160 HydrophobicContact CB-CD1 4.04Å; F30-I160 HydrophobicContact CD1-CD1 3.53Å; F30-I160 HydrophobicContact CD2-CD1 3.95Å; F30-I160 HydrophobicContact CE1-CD1 3.86Å; F30-I160 HydrophobicContact CE2-CD1 4.29Å; F30-I160 HydrophobicContact CG-CD1 3.57Å; F30-I160 HydrophobicContact CZ-CD1 4.25Å; F30-V201 HydrophobicContact CD2-CG1 4.05Å; F30-V201 HydrophobicContact CE2-CG1 3.69Å; F30-V201 HydrophobicContact CE2-CG2 4.22Å; F30-V201 HydrophobicContact CZ-CG1 4.26Å; F30-V201 HydrophobicContact CZ-CG2 4.09Å; F30-T232 HydrophobicContact CE2-CG2 4.41Å; F30-I240 HydrophobicContact CD2-CD1 3.39Å; F30-I240 HydrophobicContact CD2-CG2 4.49Å; F30-I240 HydrophobicContact CE2-CD1 3.75Å; F30-I240 HydrophobicContact CE2-CG2 4.34Å; F30-I240 HydrophobicContact CG-CD1 4.39Å; F30-A243 HydrophobicContact CE2-CB 4.18Å; F30-A243 HydrophobicContact CZ-CB 3.87Å; F30-F244 HydrophobicContact CD1-CE2 4.06Å; F30-F244 HydrophobicContact CD1-CZ 4.11Å; F30-F244 HydrophobicContact CE1-CD2 4.25Å; F30-F244 HydrophobicContact CE1-CE1 4.44Å; F30-F244 AromaticContact CE1-CE2 3.23Å; F30-F244 HydrophobicContact CE1-CE2 3.23Å; F30-F244 AromaticContact CE1-CZ 3.36Å; F30-F244 HydrophobicContact CE1-CZ 3.36Å; F30-F244 HydrophobicContact CE2-CE2 4.38Å; F30-F244 HydrophobicContact CZ-CD2 4.04Å; F30-F244 AromaticContact CZ-CE2 3.41Å; F30-F244 HydrophobicContact CZ-CE2 3.41Å; F30-F244 VanDerWaalsContact CZ-CE2 3.41Å; F30-F244 HydrophobicContact CZ-CZ 4Å |
| 31 | C | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | K27 S28 R33 F34 V35 W68 I84 | K27-C31 PolarHBondContact O-N 3.42Å; K27-C31 PolarHBondContact O-SG 2.81Å; S28-C31 PolarHBondContact O-N 3.29Å; C31-R33 PolarHBondContact O-N 3.24Å; C31-F34 PolarHBondContact O-N 2.89Å; C31-V35 PolarHBondContact O-N 3.43Å; C31-V35 VanDerWaalsContact O-N 3.08Å; C31-W68 HydrophobicContact CB-CB 4.35Å; C31-W68 HydrophobicContact CB-CD2 3.75Å; C31-W68 HydrophobicContact CB-CG 3.62Å; C31-I84 HydrophobicContact CB-CG2 4.07Å |
| 32 | N | 92.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.3 | -52.9 | 175.5 | -172.5 | -12.6 | 0 | 0 | 0 | 110.4 | S28 F34 V35 F36 Y42 V43 W68 | S28-N32 WeakPolarHBondContact O-CB 3.35Å; S28-N32 PolarHBondContact O-N 3.48Å; N32-F34 VanDerWaalsContact C-N 3.3Å; N32-F34 PolarHBondContact O-N 2.85Å; N32-V35 PolarHBondContact O-N 3.14Å; N32-F36 WeakPolarHBondContact O-CA 3.47Å; N32-F36 WeakPolarHBondContact O-CB 3.45Å; N32-F36 PolarHBondContact O-N 2.95Å; N32-F36 WeakPolarHBondContact OD1-CD2 3.13Å; N32-Y42 HydrophobicContact CB-CD2 4.3Å; N32-Y42 HydrophobicContact CB-CE2 4.32Å; N32-V43 PolarHBondContact ND2-N 3.07Å; N32-V43 PolarHBondContact ND2-O 2.91Å; N32-W68 HydrophobicContact CB-CE3 4.42Å; N32-W68 HydrophobicContact CB-CH2 3.85Å; N32-W68 HydrophobicContact CB-CZ3 3.69Å |
| 33 | R | 93.8 | Very high | 89.9 | Confident | 19 Ų | 19 | 32.3 Ų | 32.3 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -30.7 | -177.8 | -177.5 | 58.2 | 83.7 | -174.8 | 11.6 | 114.2 | C29 F30 C31 Y42 A234 H235 N237 I240 | C29-R33 WeakPolarHBondContact O-CB 3.48Å; C29-R33 PolarHBondContact O-N 3.43Å; F30-R33 PolarHBondContact O-N 3.24Å; C31-R33 PolarHBondContact O-N 3.24Å; R33-Y42 HydrophobicContact CB-CD2 3.91Å; R33-Y42 HydrophobicContact CB-CE2 3.76Å; R33-Y42 VanDerWaalsContact NH2-CD1 3.31Å; R33-A234 HydrophobicContact CB-CB 4.38Å; R33-A234 PolarHBondContact NE-O 2.84Å; R33-A234 PolarHBondContact NH2-O 2.82Å; R33-H235 PolarHBondContact NH2-O 2.77Å; R33-N237 HydrophobicContact CG-CB 4.15Å; R33-I240 HydrophobicContact CB-CG2 4.39Å; R33-I240 HydrophobicContact CG-CB 4.42Å; R33-I240 HydrophobicContact CG-CG1 3.99Å; R33-I240 HydrophobicContact CG-CG2 4.18Å |
| 34 | F | 94.7 | Very high | 90 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.5 | -41.3 | 178.7 | -177.8 | -111 | 0 | 0 | 0 | 113.1 | F30 C31 N32 A71 R73 F82 I84 I240 E241 F244 | F30-F34 PolarHBondContact O-N 2.75Å; C31-F34 PolarHBondContact O-N 2.89Å; N32-F34 VanDerWaalsContact C-N 3.3Å; N32-F34 PolarHBondContact O-N 2.85Å; F34-A71 HydrophobicContact CD1-CB 3.99Å; F34-A71 HydrophobicContact CE1-CB 3.65Å; F34-A71 HydrophobicContact CZ-CB 4.31Å; F34-R73 HydrophobicContact CZ-CG 4.36Å; F34-R73 PolarHBondContact O-NH2 2.7Å; F34-F82 HydrophobicContact CE1-CB 3.99Å; F34-F82 HydrophobicContact CE1-CD2 4.1Å; F34-F82 HydrophobicContact CE1-CG 4.14Å; F34-F82 AromaticContact CZ-CD2 3.79Å; F34-F82 HydrophobicContact CZ-CD2 3.79Å; F34-F82 HydrophobicContact CZ-CE2 4.22Å; F34-F82 HydrophobicContact CZ-CG 4.23Å; F34-I84 HydrophobicContact CD1-CD1 4.12Å; F34-I84 HydrophobicContact CD1-CG1 4.21Å; F34-I84 HydrophobicContact CE1-CD1 4.09Å; F34-I84 HydrophobicContact CE1-CG1 4.5Å; F34-I240 HydrophobicContact CB-CG2 3.95Å; F34-I240 HydrophobicContact CD2-CG2 4.48Å; F34-E241 HydrophobicContact CD2-CG 4.24Å; F34-E241 HydrophobicContact CE2-CG 4.33Å; F34-F244 HydrophobicContact CB-CD2 3.95Å; F34-F244 HydrophobicContact CB-CE2 3.42Å; F34-F244 VanDerWaalsContact CB-CE2 3.42Å; F34-F244 HydrophobicContact CB-CZ 3.98Å; F34-F244 AromaticContact CD1-CD1 3.9Å; F34-F244 HydrophobicContact CD1-CD1 3.9Å; F34-F244 AromaticContact CD1-CD2 3.73Å; F34-F244 HydrophobicContact CD1-CD2 3.73Å; F34-F244 AromaticContact CD1-CE1 3.83Å; F34-F244 HydrophobicContact CD1-CE1 3.83Å; F34-F244 AromaticContact CD1-CE2 3.64Å; F34-F244 HydrophobicContact CD1-CE2 3.64Å; F34-F244 AromaticContact CD1-CG 3.86Å; F34-F244 HydrophobicContact CD1-CG 3.86Å; F34-F244 AromaticContact CD1-CZ 3.69Å; F34-F244 HydrophobicContact CD1-CZ 3.69Å; F34-F244 HydrophobicContact CD2-CB 4.25Å; F34-F244 AromaticContact CD2-CD2 3.31Å; F34-F244 HydrophobicContact CD2-CD2 3.31Å; F34-F244 AromaticContact CD2-CE2 3.76Å; F34-F244 HydrophobicContact CD2-CE2 3.76Å; F34-F244 AromaticContact CD2-CG 3.84Å; F34-F244 HydrophobicContact CD2-CG 3.84Å; F34-F244 HydrophobicContact CE1-CB 4.18Å; F34-F244 AromaticContact CE1-CD1 3.69Å; F34-F244 HydrophobicContact CE1-CD1 3.69Å; F34-F244 HydrophobicContact CE1-CD2 4.01Å; F34-F244 HydrophobicContact CE1-CE1 4.04Å; F34-F244 HydrophobicContact CE1-CE2 4.33Å; F34-F244 AromaticContact CE1-CG 3.68Å; F34-F244 HydrophobicContact CE1-CG 3.68Å; F34-F244 HydrophobicContact CE1-CZ 4.33Å; F34-F244 HydrophobicContact CE2-CB 3.64Å; F34-F244 AromaticContact CE2-CD2 3.63Å; F34-F244 HydrophobicContact CE2-CD2 3.63Å; F34-F244 HydrophobicContact CE2-CE2 4.43Å; F34-F244 AromaticContact CE2-CG 3.67Å; F34-F244 HydrophobicContact CE2-CG 3.67Å; F34-F244 HydrophobicContact CG-CD1 4.39Å; F34-F244 AromaticContact CG-CD2 3.36Å; F34-F244 HydrophobicContact CG-CD2 3.36Å; F34-F244 HydrophobicContact CG-CE1 4.36Å; F34-F244 AromaticContact CG-CE2 3.3Å; F34-F244 HydrophobicContact CG-CE2 3.3Å; F34-F244 AromaticContact CG-CG 3.94Å; F34-F244 HydrophobicContact CG-CG 3.94Å; F34-F244 AromaticContact CG-CZ 3.84Å; F34-F244 HydrophobicContact CG-CZ 3.84Å; F34-F244 HydrophobicContact CZ-CB 3.6Å; F34-F244 HydrophobicContact CZ-CD1 4.02Å; F34-F244 AromaticContact CZ-CD2 3.97Å; F34-F244 HydrophobicContact CZ-CD2 3.97Å; F34-F244 AromaticContact CZ-CG 3.59Å; F34-F244 HydrophobicContact CZ-CG 3.59Å |
| 35 | V | 92.3 | Very high | 89.7 | Confident | 27 Ų | 27 | 33 Ų | 33 | 16% | 0.164 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.5 | -53.4 | 176.1 | 178 | 0 | 0 | 0 | 0 | 110 | C31 N32 R37 W68 I84 | C31-V35 PolarHBondContact O-N 3.43Å; C31-V35 VanDerWaalsContact O-N 3.08Å; N32-V35 PolarHBondContact O-N 3.14Å; V35-R37 PolarHBondContact O-N 3.14Å; V35-W68 HydrophobicContact CG2-CB 4.34Å; V35-I84 HydrophobicContact CG2-CB 4.34Å; V35-I84 HydrophobicContact CG2-CG1 3.99Å |
| 36 | F | 89.5 | Confident | 88.5 | Confident | 62 Ų | 62 | 33 Ų | 33 | 27% | 0.272 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -95.1 | 75.2 | 179.3 | -56.5 | -74.4 | 0 | 0 | 0 | 110.3 | N32 H38 W68 | N32-F36 WeakPolarHBondContact O-CA 3.47Å; N32-F36 WeakPolarHBondContact O-CB 3.45Å; N32-F36 PolarHBondContact O-N 2.95Å; N32-F36 WeakPolarHBondContact OD1-CD2 3.13Å; F36-H38 VanDerWaalsContact C-N 3.31Å; F36-H38 PolarHBondContact O-N 2.83Å; F36-W68 HydrophobicContact CE2-CE3 4.41Å; F36-W68 HydrophobicContact CE2-CZ3 4.45Å |
| 37 | R | 87.3 | Confident | 87.1 | Confident | 138 Ų | 138 | 35.9 Ų | 35.9 | 52% | 0.521 | 18% | 0.177 | S | C | . | . | trans | -58.2 | -38.7 | -177.8 | 179.3 | 179.9 | 171.9 | 123.9 | -0.8 | 113.3 | V35 E241 | V35-R37 PolarHBondContact O-N 3.14Å; R37-E241 IonicContact CZ-OE1 3.42Å; R37-E241 IonicContact CZ-OE2 2.97Å; R37-E241 IonicContact NH1-OE1 2.61Å; R37-E241 PolarHBondContact NH1-OE1 2.61Å; R37-E241 IonicContact NH1-OE2 2.74Å; R37-E241 PolarHBondContact NH1-OE2 3.49Å | ||
| 38 | H | 92.3 | Very high | 84.7 | Confident | 46 Ų | 46 | 39 Ų | 39 | 21% | 0.213 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -69.7 | 136.8 | -175.5 | -167.8 | -100 | 0 | 0 | 0 | 111.5 | F36 D40 S41 I315 D316 | F36-H38 VanDerWaalsContact C-N 3.31Å; F36-H38 PolarHBondContact O-N 2.83Å; H38-D40 IonicContact CE1-OD2 3.56Å; H38-D40 PolarHBondContact CE1-OD2 2.86Å; H38-D40 VanDerWaalsContact CE1-OD2 3.24Å; H38-D40 PolarHBondContact ND1-N 2.96Å; H38-D40 IonicContact ND1-OD2 3.5Å; H38-D40 PolarHBondContact O-N 2.9Å; H38-S41 PolarHBondContact O-N 2.76Å; H38-S41 VanDerWaalsContact O-N 3.12Å; H38-I315 PolarHBondContact NE2-O 2.9Å; H38-D316 IonicContact CD2-OD1 2.93Å; H38-D316 PolarHBondContact CD2-OD1 2.79Å; H38-D316 IonicContact NE2-OD1 2.66Å |
| 39 | P | 92.5 | Very high | 82.2 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 16% | 0.156 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -57.6 | -41.4 | -175.4 | -27.5 | 36.7 | 0 | 0 | 0 | 114.5 | S41 Y42 D316 | P39-S41 PolarHBondContact O-N 2.86Å; P39-Y42 WeakPolarHBondContact O-CB 3.4Å; P39-Y42 PolarHBondContact O-N 2.92Å; P39-D316 WeakPolarHBondContact CD-O 3.38Å |
| 40 | D | 92.7 | Very high | 79.6 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -70.5 | -16.3 | -178.8 | -57.9 | -26.8 | 0 | 0 | 0 | 113.7 | H38 G319 S320 | H38-D40 IonicContact CE1-OD2 3.56Å; H38-D40 PolarHBondContact CE1-OD2 2.86Å; H38-D40 VanDerWaalsContact CE1-OD2 3.24Å; H38-D40 PolarHBondContact ND1-N 2.96Å; H38-D40 IonicContact ND1-OD2 3.5Å; H38-D40 PolarHBondContact O-N 2.9Å; D40-G319 WeakPolarHBondContact OD1-CA 3.13Å; D40-S320 VanDerWaalsContact CG-N 3.3Å; D40-S320 PolarHBondContact OD1-N 2.82Å; D40-S320 WeakPolarHBondContact OD2-CB 3.28Å; D40-S320 PolarHBondContact OD2-N 2.78Å; D40-S320 PolarHBondContact OD2-OG 3.06Å |
| 41 | S | 89.7 | Confident | 76.8 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 42% | 0.42 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -91.4 | -8.9 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 113 | H38 P39 | H38-S41 PolarHBondContact O-N 2.76Å; H38-S41 VanDerWaalsContact O-N 3.12Å; P39-S41 PolarHBondContact O-N 2.86Å |
| 42 | Y | 90.6 | Very high | 74 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | trans | -86 | 139.7 | -179.2 | 174.9 | -104.5 | 0 | 0 | 0 | 111.6 | C29 N32 R33 P39 H235 | C29-Y42 WeakPolarHBondContact O-CE2 3.32Å; N32-Y42 HydrophobicContact CB-CD2 4.3Å; N32-Y42 HydrophobicContact CB-CE2 4.32Å; R33-Y42 HydrophobicContact CB-CD2 3.91Å; R33-Y42 HydrophobicContact CB-CE2 3.76Å; R33-Y42 VanDerWaalsContact NH2-CD1 3.31Å; P39-Y42 WeakPolarHBondContact O-CB 3.4Å; P39-Y42 PolarHBondContact O-N 2.92Å; Y42-H235 PolarHBondContact OH-CE1 2.89Å; Y42-H235 PolarHBondContact OH-ND1 2.94Å; Y42-H235 VanDerWaalsContact OH-ND1 3.17Å | ||
| 43 | V | 85.1 | Confident | 71.1 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 22% | 0.218 | 31% | 0.307 | C | S | . | . | trans | -120.6 | 123.4 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | N32 D45 I49 | N32-V43 PolarHBondContact ND2-N 3.07Å; N32-V43 PolarHBondContact ND2-O 2.91Å; V43-D45 PolarHBondContact O-N 2.87Å; V43-I49 HydrophobicContact CG1-CD1 4.17Å | ||
| 44 | K | 79.7 | Confident | 68.1 | Low | 70 Ų | 70 | 64.6 Ų | 64.6 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -57.9 | -49 | -175.9 | -157.8 | 176.3 | -176.5 | 174.1 | 0 | 111 | C29 P46 H235 D1638 | C29-K44 PolarHBondContact SG-O 3.44Å; K44-P46 WeakPolarHBondContact O-CD 3.41Å; K44-H235 WeakPolarHBondContact CG-CE1 3.32Å; K44-D1638 IonicContact NZ-OD2 3.85Å; K44-D1638 PolarHBondContact NZ-OD2 2.95Å |
| 45 | D | 73.4 | Confident | 64.8 | Low | 53 Ų | 53 | 69 Ų | 69 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | trans | -120.7 | 88.9 | -179.3 | -60.9 | -75.7 | 0 | 0 | 0 | 109.9 | V43 H47 S48 | V43-D45 PolarHBondContact O-N 2.87Å; D45-H47 PolarHBondContact O-N 2.75Å; D45-S48 PolarHBondContact O-OG 3.49Å; D45-S48 VanDerWaalsContact O-OG 3.1Å | ||
| 46 | P | 60.2 | Low | 62.1 | Low | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.013 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21.1 | -177.3 | 24.9 | -33 | 0 | 0 | 0 | 113.3 | K44 W68 Y131 | K44-P46 WeakPolarHBondContact O-CD 3.41Å; P46-W68 HydrophobicContact CB-CH2 3.77Å; P46-W68 HydrophobicContact CB-CZ2 4.44Å; P46-W68 HydrophobicContact CG-CH2 4.05Å; P46-W68 HydrophobicContact CG-CZ2 4.38Å; P46-Y131 HydrophobicContact CB-CE1 4.37Å; P46-Y131 PolarHBondContact O-OH 3.42Å; P46-Y131 VanDerWaalsContact O-OH 3.06Å |
| 47 | H | 58.3 | Low | 59.1 | Low | 72 Ų | 72 | 75.7 Ų | 75.7 | 33% | 0.333 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -18.1 | -175.1 | -60.4 | -50.4 | 0 | 0 | 0 | 115 | S28 D45 I49 S50 | S28-H47 VanDerWaalsContact CB-NE2 3.32Å; S28-H47 WeakPolarHBondContact CB-NE2 3.41Å; S28-H47 PolarHBondContact OG-NE2 3.31Å; D45-H47 PolarHBondContact O-N 2.75Å; H47-I49 PolarHBondContact O-N 2.88Å; H47-S50 PolarHBondContact O-OG 3.39Å |
| 48 | S | 41.1 | Very low | 56.3 | Low | 72 Ų | 72 | 75.2 Ų | 75.2 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -68.1 | -16.4 | -178.5 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | D45 S50 | D45-S48 PolarHBondContact O-OG 3.49Å; D45-S48 VanDerWaalsContact O-OG 3.1Å; S48-S50 PolarHBondContact O-N 2.74Å |
| 49 | I | 39 | Very low | 53.5 | Low | 53 Ų | 53 | 79 Ų | 79 | 27% | 0.272 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -76.9 | -18.6 | -173.6 | -67.2 | 167.8 | 0 | 0 | 0 | 112.7 | V43 H47 N51 T52 C133 | V43-I49 HydrophobicContact CG1-CD1 4.17Å; H47-I49 PolarHBondContact O-N 2.88Å; I49-N51 VanDerWaalsContact C-N 3.28Å; I49-N51 PolarHBondContact O-N 2.9Å; I49-T52 PolarHBondContact O-OG1 2.76Å; I49-C133 WeakPolarHBondContact CD1-SG 3.25Å |
| 50 | S | 38.8 | Very low | 51.1 | Low | 66 Ų | 66 | 83.1 Ų | 83.1 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -68.6 | -22.4 | 177.1 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | H47 S48 T52 S53 | H47-S50 PolarHBondContact O-OG 3.39Å; S48-S50 PolarHBondContact O-N 2.74Å; S50-T52 PolarHBondContact O-N 2.99Å; S50-S53 PolarHBondContact O-N 3.41Å; S50-S53 PolarHBondContact O-OG 3.24Å |
| 51 | N | 34.3 | Very low | 48.6 | Very low | 101 Ų | 101 | 81.6 Ų | 81.6 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -75.1 | 2.4 | -171.8 | -65.8 | 18.1 | 0 | 0 | 0 | 113.9 | I49 | I49-N51 VanDerWaalsContact C-N 3.28Å; I49-N51 PolarHBondContact O-N 2.9Å |
| 52 | T | 36 | Very low | 46.6 | Very low | 132 Ų | 132 | 85.9 Ų | 85.9 | 81% | 0.81 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -106.3 | 6.5 | 176.1 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | I49 S50 | I49-T52 PolarHBondContact O-OG1 2.76Å; S50-T52 PolarHBondContact O-N 2.99Å |
| 53 | S | 32.6 | Very low | 44.8 | Very low | 50 Ų | 50 | 85.4 Ų | 85.4 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | trans | -131.7 | 85.1 | 174.6 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | S50 S55 | S50-S53 PolarHBondContact O-N 3.41Å; S50-S53 PolarHBondContact O-OG 3.24Å; S53-S55 PolarHBondContact O-N 2.78Å; S53-S55 VanDerWaalsContact O-N 3.14Å | ||
| 54 | H | 29.5 | Very low | 44.2 | Very low | 181 Ų | 181 | 87 Ų | 87 | 84% | 0.838 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -69.5 | 5 | 168.8 | -84.5 | -77 | 0 | 0 | 0 | 114 | ||
| 55 | S | 26.9 | Very low | 44.1 | Very low | 94 Ų | 94 | 84.3 Ų | 84.3 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | trans | -132.2 | 79 | 176.6 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | S53 | S53-S55 PolarHBondContact O-N 2.78Å; S53-S55 VanDerWaalsContact O-N 3.14Å | ||
| 56 | C | 33.8 | Very low | 44.5 | Very low | 92 Ų | 92 | 82.3 Ų | 82.3 | 62% | 0.622 | 47% | 0.472 | S | S | * | . | trans | -134.8 | 75.4 | 161.9 | -85.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 57 | D | 27.7 | Very low | 45.7 | Very low | 138 Ų | 138 | 82.7 Ų | 82.7 | 74% | 0.738 | 47% | 0.473 | S | S | * | . | trans | -55.2 | 141.2 | -175.3 | -80.1 | -69.8 | 0 | 0 | 0 | 114.5 | N59 | D57-N59 PolarHBondContact O-N 2.99Å; D57-N59 VanDerWaalsContact O-N 3.08Å | ||
| 58 | V | 28.6 | Very low | 47.1 | Very low | 128 Ų | 128 | 79.4 Ų | 79.4 | 78% | 0.776 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 38.3 | 61.9 | 142.1 | -163.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 59 | N | 33 | Very low | 49.3 | Very low | 125 Ų | 125 | 76.5 Ų | 76.5 | 67% | 0.668 | 44% | 0.439 | S | S | * | . | trans | -164.7 | 24 | 152.2 | -101.7 | -42.2 | 0 | 0 | 0 | 116.9 | D57 S61 | D57-N59 PolarHBondContact O-N 2.99Å; D57-N59 VanDerWaalsContact O-N 3.08Å; N59-S61 PolarHBondContact O-N 3.23Å | ||
| 60 | V | 42.6 | Very low | 51.6 | Low | 110 Ų | 110 | 76 Ų | 76 | 67% | 0.667 | 44% | 0.439 | S | S | * | . | trans | -78.4 | 62.9 | 162 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | D62 F90 | V60-D62 PolarHBondContact O-N 2.63Å; V60-D62 VanDerWaalsContact O-N 3.14Å; V60-F90 HydrophobicContact CG1-CE2 4.44Å | ||
| 61 | S | 38.8 | Very low | 54.1 | Low | 47 Ų | 47 | 73 Ų | 73 | 33% | 0.329 | 42% | 0.419 | S | S | . | . | trans | -74 | 104.7 | -167.4 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | N59 S63 | N59-S61 PolarHBondContact O-N 3.23Å; S61-S63 WeakPolarHBondContact O-CB 3.47Å; S61-S63 PolarHBondContact O-N 3.46Å; S61-S63 PolarHBondContact O-OG 3.06Å | ||
| 62 | D | 48 | Very low | 56.8 | Low | 149 Ų | 149 | 71.6 Ų | 71.6 | 80% | 0.797 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 57.6 | -6 | 157.3 | -136.6 | -17.3 | 0 | 0 | 0 | 118.2 | V60 R64 | V60-D62 PolarHBondContact O-N 2.63Å; V60-D62 VanDerWaalsContact O-N 3.14Å; D62-R64 PolarHBondContact O-N 3.36Å |
| 63 | S | 53.2 | Low | 59.4 | Low | 23 Ų | 23 | 67.3 Ų | 67.3 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | trans | -98.6 | 98.9 | -166.4 | 41.2 | 0 | 0 | 0 | 0 | 109.9 | S61 W65 K128 | S61-S63 WeakPolarHBondContact O-CB 3.47Å; S61-S63 PolarHBondContact O-N 3.46Å; S61-S63 PolarHBondContact O-OG 3.06Å; S63-W65 PolarHBondContact O-N 3.27Å; S63-K128 PolarHBondContact O-NZ 3.47Å; S63-K128 PolarHBondContact OG-NZ 3.18Å | ||
| 64 | R | 72 | Confident | 62.1 | Low | 68 Ų | 68 | 72 Ų | 72 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | trans | -77.8 | 49.2 | -175.6 | -65.3 | 155.8 | -66.8 | 95.9 | 11.2 | 112.5 | D62 T88 | D62-R64 PolarHBondContact O-N 3.36Å; R64-T88 CarbonylContact C-O 3.55Å; R64-T88 WeakPolarHBondContact CA-O 3.28Å; R64-T88 WeakPolarHBondContact CB-O 3.25Å; R64-T88 PolarHBondContact O-N 2.73Å; R64-T88 VanDerWaalsContact O-O 3.09Å | ||
| 65 | W | 77.9 | Confident | 64.7 | Low | 14 Ų | 14 | 64 Ų | 64 | 5% | 0.053 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 154.6 | 174.4 | 52.4 | -102 | 0 | 0 | 0 | 111.6 | S63 L85 E86 H87 F125 K128 | S63-W65 PolarHBondContact O-N 3.27Å; W65-L85 HydrophobicContact CE3-CD2 4.12Å; W65-L85 HydrophobicContact CZ3-CD2 4.36Å; W65-E86 CarbonylContact C-O 2.99Å; W65-E86 WeakPolarHBondContact CA-O 3.32Å; W65-E86 WeakPolarHBondContact CB-O 3.16Å; W65-H87 AromaticContact CD1-CE1 3.84Å; W65-F125 HydrophobicContact CE3-CZ 4.35Å; W65-F125 AromaticContact CH2-CD1 3.57Å; W65-F125 HydrophobicContact CH2-CD1 3.57Å; W65-F125 AromaticContact CH2-CD2 3.79Å; W65-F125 HydrophobicContact CH2-CD2 3.79Å; W65-F125 AromaticContact CH2-CE1 3.29Å; W65-F125 HydrophobicContact CH2-CE1 3.29Å; W65-F125 AromaticContact CH2-CE2 3.51Å; W65-F125 HydrophobicContact CH2-CE2 3.51Å; W65-F125 AromaticContact CH2-CG 3.8Å; W65-F125 HydrophobicContact CH2-CG 3.8Å; W65-F125 AromaticContact CH2-CZ 3.26Å; W65-F125 HydrophobicContact CH2-CZ 3.26Å; W65-F125 HydrophobicContact CZ2-CD1 4.49Å; W65-F125 AromaticContact CZ2-CD2 3.97Å; W65-F125 HydrophobicContact CZ2-CD2 3.97Å; W65-F125 HydrophobicContact CZ2-CE1 4.34Å; W65-F125 AromaticContact CZ2-CE2 3.79Å; W65-F125 HydrophobicContact CZ2-CE2 3.79Å; W65-F125 HydrophobicContact CZ2-CG 4.3Å; W65-F125 AromaticContact CZ2-CZ 4Å; W65-F125 HydrophobicContact CZ2-CZ 4Å; W65-F125 HydrophobicContact CZ3-CD1 4.22Å; W65-F125 AromaticContact CZ3-CE1 3.52Å; W65-F125 HydrophobicContact CZ3-CE1 3.52Å; W65-F125 HydrophobicContact CZ3-CE2 4.11Å; W65-F125 AromaticContact CZ3-CZ 3.45Å; W65-F125 HydrophobicContact CZ3-CZ 3.45Å; W65-F125 VanDerWaalsContact CZ3-CZ 3.45Å; W65-K128 HydrophobicContact CE3-CD 4.4Å; W65-K128 HydrophobicContact CH2-CD 3.84Å; W65-K128 HydrophobicContact CZ3-CD 3.74Å; W65-K128 PolarHBondContact O-NZ 2.96Å |
| 66 | L | 82.6 | Confident | 67.4 | Low | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.7 | 177 | -77.3 | 170.2 | 0 | 0 | 0 | 110.2 | L85 E86 T88 F90 Y131 | L66-L85 CarbonylContact O-C 3.22Å; L66-L85 WeakPolarHBondContact O-CA 3.33Å; L66-E86 HydrophobicContact CB-CB 4.41Å; L66-E86 PolarHBondContact N-O 2.77Å; L66-E86 PolarHBondContact O-N 3.02Å; L66-T88 HydrophobicContact CD1-CG2 4.08Å; L66-T88 HydrophobicContact CG-CG2 4.2Å; L66-F90 HydrophobicContact CD1-CE1 4.45Å; L66-F90 HydrophobicContact CD1-CZ 4.22Å; L66-F90 HydrophobicContact CD2-CE1 4.47Å; L66-F90 HydrophobicContact CD2-CZ 3.78Å; L66-F90 HydrophobicContact CG-CZ 3.85Å; L66-Y131 HydrophobicContact CD2-CD2 3.78Å; L66-Y131 HydrophobicContact CD2-CE2 4.41Å; L66-Y131 HydrophobicContact CD2-CG 4.08Å |
| 67 | Y | 84.9 | Confident | 69.6 | Low | 10 Ų | 10 | 64.6 Ų | 64.6 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115.8 | 168.8 | 177.9 | -128.9 | 0 | 0 | 0 | 110.5 | G69 C70 Q83 I84 L85 T130 Y131 C146 F147 | Y67-G69 WeakPolarHBondContact CE2-O 3.32Å; Y67-G69 VanDerWaalsContact OH-C 3.24Å; Y67-G69 WeakPolarHBondContact OH-CA 3.25Å; Y67-G69 PolarHBondContact OH-O 2.87Å; Y67-C70 PolarHBondContact OH-SG 2.93Å; Y67-Q83 HydrophobicContact CD2-CG 4.44Å; Y67-Q83 HydrophobicContact CE2-CG 3.49Å; Y67-Q83 VanDerWaalsContact CE2-CG 3.49Å; Y67-Q83 PolarHBondContact OH-NE2 3.06Å; Y67-I84 WeakPolarHBondContact CD2-O 3.45Å; Y67-L85 HydrophobicContact CD2-CD2 3.73Å; Y67-L85 HydrophobicContact CG-CD2 4.28Å; Y67-T130 HydrophobicContact CD1-CG2 3.82Å; Y67-T130 WeakPolarHBondContact CD1-OG1 3.44Å; Y67-T130 HydrophobicContact CE1-CG2 3.94Å; Y67-Y131 PolarHBondContact O-N 3.23Å; Y67-C146 HydrophobicContact CE1-CB 3.81Å; Y67-F147 AromaticContact CD1-CE2 3.69Å; Y67-F147 HydrophobicContact CD1-CE2 3.69Å; Y67-F147 HydrophobicContact CD1-CZ 4.09Å; Y67-F147 HydrophobicContact CD2-CE2 4.41Å; Y67-F147 AromaticContact CD2-CZ 3.98Å; Y67-F147 HydrophobicContact CD2-CZ 3.98Å; Y67-F147 AromaticContact CE1-CE2 3.73Å; Y67-F147 HydrophobicContact CE1-CE2 3.73Å; Y67-F147 HydrophobicContact CE1-CZ 4.04Å; Y67-F147 HydrophobicContact CE2-CE2 4.47Å; Y67-F147 AromaticContact CE2-CZ 3.97Å; Y67-F147 HydrophobicContact CE2-CZ 3.97Å; Y67-F147 HydrophobicContact CG-CE2 4.04Å; Y67-F147 HydrophobicContact CG-CZ 4.05Å; Y67-F147 AromaticContact CZ-CZ 3.98Å |
| 68 | W | 88.4 | Confident | 72.3 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.011 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -6.4 | -175.9 | -86.8 | 99.2 | 0 | 0 | 0 | 114.1 | S28 C31 N32 V35 F36 P46 I84 E86 Y131 | S28-W68 WeakPolarHBondContact O-CZ2 3.33Å; C31-W68 HydrophobicContact CB-CB 4.35Å; C31-W68 HydrophobicContact CB-CD2 3.75Å; C31-W68 HydrophobicContact CB-CG 3.62Å; N32-W68 HydrophobicContact CB-CE3 4.42Å; N32-W68 HydrophobicContact CB-CH2 3.85Å; N32-W68 HydrophobicContact CB-CZ3 3.69Å; V35-W68 HydrophobicContact CG2-CB 4.34Å; F36-W68 HydrophobicContact CE2-CE3 4.41Å; F36-W68 HydrophobicContact CE2-CZ3 4.45Å; P46-W68 HydrophobicContact CB-CH2 3.77Å; P46-W68 HydrophobicContact CB-CZ2 4.44Å; P46-W68 HydrophobicContact CG-CH2 4.05Å; P46-W68 HydrophobicContact CG-CZ2 4.38Å; W68-I84 HydrophobicContact CB-CB 4.02Å; W68-I84 HydrophobicContact CB-CG2 3.94Å; W68-I84 HydrophobicContact CG-CG2 4.49Å; W68-I84 PolarHBondContact N-O 3.3Å; W68-E86 PolarHBondContact NE1-OE2 3.01Å; W68-Y131 AromaticContact CH2-CD1 4Å; W68-Y131 HydrophobicContact CH2-CD1 4Å; W68-Y131 HydrophobicContact CH2-CE1 4.29Å; W68-Y131 HydrophobicContact CZ2-CD1 4.16Å; W68-Y131 HydrophobicContact CZ3-CD1 4.34Å |
| 69 | G | 86.6 | Confident | 75.2 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.1 | -161 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y67 I84 | Y67-G69 WeakPolarHBondContact CE2-O 3.32Å; Y67-G69 VanDerWaalsContact OH-C 3.24Å; Y67-G69 WeakPolarHBondContact OH-CA 3.25Å; Y67-G69 PolarHBondContact OH-O 2.87Å; G69-I84 PolarHBondContact O-N 3.18Å; G69-I84 VanDerWaalsContact O-N 3.07Å |
| 70 | C | 86.9 | Confident | 77.9 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 28% | 0.284 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140 | 177.8 | -81.3 | 0 | 0 | 0 | 0 | 112.1 | Y67 K81 F82 | Y67-C70 PolarHBondContact OH-SG 2.93Å; C70-K81 HydrophobicContact CB-CG 4.11Å; C70-K81 WeakPolarHBondContact SG-CE 3.39Å; C70-F82 CarbonylContact C-O 3.56Å; C70-F82 WeakPolarHBondContact CA-O 3.34Å |
| 71 | A | 91.1 | Very high | 80.3 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F34 F82 | F34-A71 HydrophobicContact CD1-CB 3.99Å; F34-A71 HydrophobicContact CE1-CB 3.65Å; F34-A71 HydrophobicContact CZ-CB 4.31Å; A71-F82 PolarHBondContact N-O 2.96Å; A71-F82 PolarHBondContact O-N 2.64Å |
| 72 | C | 91.4 | Very high | 82.9 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 142.1 | 170.5 | -70.5 | 0 | 0 | 0 | 0 | 110.7 | I79 I80 | C72-I79 HydrophobicContact CB-CG2 4.44Å; C72-I80 CarbonylContact C-O 3.54Å; C72-I80 VanDerWaalsContact CA-O 3.32Å; C72-I80 WeakPolarHBondContact CA-O 3.39Å |
| 73 | R | 90.5 | Very high | 85 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 145.8 | 170.3 | -66.4 | -61.7 | -175.2 | -75.5 | -5.2 | 109.7 | F34 I75 I80 F82 E241 | F34-R73 HydrophobicContact CZ-CG 4.36Å; F34-R73 PolarHBondContact O-NH2 2.7Å; R73-I75 HydrophobicContact CB-CG1 4.41Å; R73-I80 PolarHBondContact N-O 3.02Å; R73-I80 PolarHBondContact O-N 3.06Å; R73-F82 HydrophobicContact CB-CE2 4.15Å; R73-F82 HydrophobicContact CG-CD2 4.41Å; R73-F82 HydrophobicContact CG-CE2 4.25Å; R73-E241 IonicContact CZ-OE1 3.68Å; R73-E241 IonicContact NE-OE1 3.73Å; R73-E241 PolarHBondContact NE-OE1 3.42Å; R73-E241 IonicContact NH2-OE1 3.69Å; R73-E241 PolarHBondContact NH2-OE1 2.99Å |
| 74 | Q | 89.2 | Confident | 86.9 | Confident | 148 Ų | 148 | 40.7 Ų | 40.7 | 69% | 0.692 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.9 | 170.6 | -163.2 | 173.2 | 17.8 | 0 | 0 | 109.3 | G77 S78 | Q74-G77 PolarHBondContact NE2-O 3.03Å; Q74-S78 CarbonylContact C-O 3.53Å; Q74-S78 VanDerWaalsContact CA-O 3.31Å; Q74-S78 WeakPolarHBondContact CA-O 3.08Å |
| 75 | I | 85.6 | Confident | 87.9 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.6 | -178.9 | -51.7 | -179.4 | 0 | 0 | 0 | 107.5 | R73 G77 S78 I80 F82 L245 Y248 | R73-I75 HydrophobicContact CB-CG1 4.41Å; I75-G77 PolarHBondContact O-N 3.29Å; I75-S78 PolarHBondContact N-O 3.01Å; I75-S78 PolarHBondContact O-N 3.33Å; I75-I80 HydrophobicContact CB-CG1 4.01Å; I75-I80 HydrophobicContact CD1-CB 4.19Å; I75-I80 HydrophobicContact CD1-CG1 3.89Å; I75-I80 HydrophobicContact CG1-CG1 4.01Å; I75-F82 HydrophobicContact CD1-CE2 3.99Å; I75-F82 HydrophobicContact CD1-CZ 3.78Å; I75-L245 HydrophobicContact CD1-CD2 3.36Å; I75-L245 HydrophobicContact CG1-CD2 3.77Å; I75-Y248 HydrophobicContact CB-CE1 4.48Å; I75-Y248 HydrophobicContact CD1-CD1 3.9Å; I75-Y248 HydrophobicContact CD1-CD2 4.17Å; I75-Y248 HydrophobicContact CD1-CE1 4.33Å; I75-Y248 HydrophobicContact CD1-CG 3.84Å; I75-Y248 HydrophobicContact CG2-CD1 4.03Å; I75-Y248 HydrophobicContact CG2-CE1 3.94Å |
| 76 | D | 82.4 | Confident | 88.5 | Confident | 153 Ų | 153 | 36.8 Ų | 36.8 | 82% | 0.818 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 29.5 | 178.4 | -57.7 | -26.9 | 0 | 0 | 0 | 114.8 | ||
| 77 | G | 80.5 | Confident | 88.6 | Confident | 46 Ų | 46 | 36.2 Ų | 36.2 | 47% | 0.474 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | -33 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q74 I75 | Q74-G77 PolarHBondContact NE2-O 3.03Å; I75-G77 PolarHBondContact O-N 3.29Å |
| 78 | S | 84.4 | Confident | 88.4 | Confident | 56 Ų | 56 | 36.3 Ų | 36.3 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 149 | -177.8 | -65 | 0 | 0 | 0 | 0 | 112.9 | Q74 I75 | Q74-S78 CarbonylContact C-O 3.53Å; Q74-S78 VanDerWaalsContact CA-O 3.31Å; Q74-S78 WeakPolarHBondContact CA-O 3.08Å; I75-S78 PolarHBondContact N-O 3.01Å; I75-S78 PolarHBondContact O-N 3.33Å |
| 79 | I | 88.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 39.6 Ų | 39.6 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.2 | 174.1 | -59.8 | 176.2 | 0 | 0 | 0 | 108.7 | T12 K13 C72 | T12-I79 WeakPolarHBondContact CA-O 3.41Å; T12-I79 HydrophobicContact CG2-CB 4.4Å; T12-I79 HydrophobicContact CG2-CG2 4.43Å; K13-I79 PolarHBondContact N-O 3.42Å; C72-I79 HydrophobicContact CB-CG2 4.44Å |
| 80 | I | 91.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.9 | 179.7 | -49.7 | -53.2 | 0 | 0 | 0 | 108.8 | K13 I15 C72 R73 I75 F82 Y248 | K13-I80 HydrophobicContact CB-CD1 3.84Å; K13-I80 HydrophobicContact CD-CD1 4.18Å; I15-I80 HydrophobicContact CD1-CG2 4Å; C72-I80 CarbonylContact C-O 3.54Å; C72-I80 VanDerWaalsContact CA-O 3.32Å; C72-I80 WeakPolarHBondContact CA-O 3.39Å; R73-I80 PolarHBondContact N-O 3.02Å; R73-I80 PolarHBondContact O-N 3.06Å; I75-I80 HydrophobicContact CB-CG1 4.01Å; I75-I80 HydrophobicContact CD1-CB 4.19Å; I75-I80 HydrophobicContact CD1-CG1 3.89Å; I75-I80 HydrophobicContact CG1-CG1 4.01Å; I80-F82 HydrophobicContact CB-CE2 4.23Å; I80-F82 HydrophobicContact CB-CZ 4.44Å; I80-F82 HydrophobicContact CG2-CD1 4.45Å; I80-F82 HydrophobicContact CG2-CD2 4.3Å; I80-F82 HydrophobicContact CG2-CE1 4.06Å; I80-F82 HydrophobicContact CG2-CE2 3.88Å; I80-F82 HydrophobicContact CG2-CZ 3.76Å; I80-Y248 HydrophobicContact CB-CE2 4.21Å; I80-Y248 HydrophobicContact CD1-CE2 3.68Å; I80-Y248 WeakPolarHBondContact CD1-OH 3.42Å; I80-Y248 HydrophobicContact CG1-CD2 4.32Å; I80-Y248 HydrophobicContact CG1-CE2 3.62Å; I80-Y248 HydrophobicContact CG2-CD2 3.76Å; I80-Y248 HydrophobicContact CG2-CE2 3.57Å |
| 81 | K | 92.7 | Very high | 84.5 | Confident | 89 Ų | 89 | 45.7 Ų | 45.7 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 100.7 | 177.5 | -176 | 175.4 | 174.5 | -176.3 | 0 | 108.9 | K13 L14 I15 C70 | K13-K81 PolarHBondContact O-N 2.81Å; L14-K81 WeakPolarHBondContact CA-O 3.43Å; L14-K81 HydrophobicContact CD1-CB 4.2Å; L14-K81 HydrophobicContact CD1-CD 3.92Å; L14-K81 HydrophobicContact CD1-CG 3.86Å; I15-K81 PolarHBondContact N-O 2.94Å; C70-K81 HydrophobicContact CB-CG 4.11Å; C70-K81 WeakPolarHBondContact SG-CE 3.39Å |
| 82 | F | 93.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 131.1 | 174.2 | -63.2 | -78 | 0 | 0 | 0 | 110.1 | I15 I17 F34 C70 A71 R73 I75 I80 I84 Y248 | I15-F82 HydrophobicContact CB-CD1 4.34Å; I15-F82 HydrophobicContact CG2-CD1 3.99Å; I15-F82 HydrophobicContact CG2-CE1 4.26Å; I15-F82 CarbonylContact O-C 3.57Å; I15-F82 WeakPolarHBondContact O-CA 3.43Å; I17-F82 HydrophobicContact CD1-CD1 3.51Å; I17-F82 HydrophobicContact CD1-CE1 3.96Å; I17-F82 HydrophobicContact CD1-CG 4.49Å; F34-F82 HydrophobicContact CE1-CB 3.99Å; F34-F82 HydrophobicContact CE1-CD2 4.1Å; F34-F82 HydrophobicContact CE1-CG 4.14Å; F34-F82 AromaticContact CZ-CD2 3.79Å; F34-F82 HydrophobicContact CZ-CD2 3.79Å; F34-F82 HydrophobicContact CZ-CE2 4.22Å; F34-F82 HydrophobicContact CZ-CG 4.23Å; C70-F82 CarbonylContact C-O 3.56Å; C70-F82 WeakPolarHBondContact CA-O 3.34Å; A71-F82 PolarHBondContact N-O 2.96Å; A71-F82 PolarHBondContact O-N 2.64Å; R73-F82 HydrophobicContact CB-CE2 4.15Å; R73-F82 HydrophobicContact CG-CD2 4.41Å; R73-F82 HydrophobicContact CG-CE2 4.25Å; I75-F82 HydrophobicContact CD1-CE2 3.99Å; I75-F82 HydrophobicContact CD1-CZ 3.78Å; I80-F82 HydrophobicContact CB-CE2 4.23Å; I80-F82 HydrophobicContact CB-CZ 4.44Å; I80-F82 HydrophobicContact CG2-CD1 4.45Å; I80-F82 HydrophobicContact CG2-CD2 4.3Å; I80-F82 HydrophobicContact CG2-CE1 4.06Å; I80-F82 HydrophobicContact CG2-CE2 3.88Å; I80-F82 HydrophobicContact CG2-CZ 3.76Å; F82-I84 HydrophobicContact CB-CD1 3.87Å; F82-Y248 HydrophobicContact CE1-CD2 4.05Å; F82-Y248 AromaticContact CZ-CD2 3.95Å; F82-Y248 HydrophobicContact CZ-CD2 3.95Å; F82-Y248 HydrophobicContact CZ-CG 4.23Å |
| 83 | Q | 91.9 | Very high | 79.4 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116.7 | 174 | -166.4 | 164.3 | 36.7 | 0 | 0 | 108.4 | L14 I15 I17 Y67 F147 | L14-Q83 HydrophobicContact CD1-CB 4.24Å; I15-Q83 PolarHBondContact O-N 2.93Å; I17-Q83 PolarHBondContact N-O 3.44Å; Y67-Q83 HydrophobicContact CD2-CG 4.44Å; Y67-Q83 HydrophobicContact CE2-CG 3.49Å; Y67-Q83 VanDerWaalsContact CE2-CG 3.49Å; Y67-Q83 PolarHBondContact OH-NE2 3.06Å; Q83-F147 VanDerWaalsContact NE2-CZ 3.3Å |
| 84 | I | 93.4 | Very high | 76.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.4 | -164.9 | -53.1 | -50.8 | 0 | 0 | 0 | 111.1 | I17 V19 C31 F34 V35 Y67 W68 G69 F82 F244 | I17-I84 HydrophobicContact CB-CD1 4.29Å; V19-I84 HydrophobicContact CG2-CG2 4.32Å; C31-I84 HydrophobicContact CB-CG2 4.07Å; F34-I84 HydrophobicContact CD1-CD1 4.12Å; F34-I84 HydrophobicContact CD1-CG1 4.21Å; F34-I84 HydrophobicContact CE1-CD1 4.09Å; F34-I84 HydrophobicContact CE1-CG1 4.5Å; V35-I84 HydrophobicContact CG2-CB 4.34Å; V35-I84 HydrophobicContact CG2-CG1 3.99Å; Y67-I84 WeakPolarHBondContact CD2-O 3.45Å; W68-I84 HydrophobicContact CB-CB 4.02Å; W68-I84 HydrophobicContact CB-CG2 3.94Å; W68-I84 HydrophobicContact CG-CG2 4.49Å; W68-I84 PolarHBondContact N-O 3.3Å; G69-I84 PolarHBondContact O-N 3.18Å; G69-I84 VanDerWaalsContact O-N 3.07Å; F82-I84 HydrophobicContact CB-CD1 3.87Å; I84-F244 HydrophobicContact CD1-CD1 4.18Å; I84-F244 HydrophobicContact CD1-CE1 3.58Å; I84-F244 HydrophobicContact CD1-CZ 4.34Å |
| 85 | L | 91.4 | Very high | 73.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.4 | 174.6 | -61.6 | 169.8 | 0 | 0 | 0 | 109 | T16 I17 V19 W65 L66 Y67 L123 F125 V152 V154 | T16-L85 HydrophobicContact CG2-CD1 3.6Å; T16-L85 HydrophobicContact CG2-CG 4.37Å; I17-L85 PolarHBondContact O-N 3.32Å; V19-L85 PolarHBondContact N-O 2.83Å; W65-L85 HydrophobicContact CE3-CD2 4.12Å; W65-L85 HydrophobicContact CZ3-CD2 4.36Å; L66-L85 CarbonylContact O-C 3.22Å; L66-L85 WeakPolarHBondContact O-CA 3.33Å; Y67-L85 HydrophobicContact CD2-CD2 3.73Å; Y67-L85 HydrophobicContact CG-CD2 4.28Å; L85-L123 HydrophobicContact CD1-CD1 3.83Å; L85-F125 HydrophobicContact CD2-CZ 4.06Å; L85-V152 HydrophobicContact CD1-CG1 4.34Å; L85-V154 HydrophobicContact CD1-CG2 4.36Å |
| 86 | E | 90.7 | Very high | 71.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.8 | 171.7 | 178.7 | -164.6 | 167.3 | 0 | 0 | 109.1 | V19 K27 S28 W65 L66 W68 | V19-E86 CarbonylContact O-C 3.5Å; V19-E86 WeakPolarHBondContact O-CA 3.25Å; K27-E86 HydrophobicContact CB-CG 3.96Å; K27-E86 WeakPolarHBondContact CB-OE1 3.31Å; K27-E86 WeakPolarHBondContact CE-OE1 3.17Å; K27-E86 IonicContact NZ-OE1 2.71Å; K27-E86 PolarHBondContact NZ-OE1 2.98Å; S28-E86 VanDerWaalsContact CA-OE2 3.26Å; S28-E86 WeakPolarHBondContact CA-OE2 3.36Å; S28-E86 VanDerWaalsContact CB-OE2 3.26Å; S28-E86 WeakPolarHBondContact CB-OE2 3.47Å; W65-E86 CarbonylContact C-O 2.99Å; W65-E86 WeakPolarHBondContact CA-O 3.32Å; W65-E86 WeakPolarHBondContact CB-O 3.16Å; L66-E86 HydrophobicContact CB-CB 4.41Å; L66-E86 PolarHBondContact N-O 2.77Å; L66-E86 PolarHBondContact O-N 3.02Å; W68-E86 PolarHBondContact NE1-OE2 3.01Å |
| 87 | H | 85.6 | Confident | 68.8 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.8 | 167.2 | -76.7 | -90.8 | 0 | 0 | 0 | 110.3 | V19 I20 K27 W65 Y114 S118 | V19-H87 PolarHBondContact O-N 3.06Å; I20-H87 HydrophobicContact CG2-CB 4.2Å; K27-H87 WeakPolarHBondContact CE-O 3.49Å; K27-H87 PolarHBondContact NZ-O 3.17Å; W65-H87 AromaticContact CD1-CE1 3.84Å; H87-Y114 PolarHBondContact O-OH 3.2Å; H87-S118 PolarHBondContact CD2-O 3.27Å |
| 88 | T | 79.2 | Confident | 66.7 | Low | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | trans | -155.5 | 144.9 | -177.9 | -156.9 | 0 | 0 | 0 | 0 | 111.2 | K27 R64 L66 F90 | K27-T88 PolarHBondContact NZ-OG1 3.22Å; R64-T88 CarbonylContact C-O 3.55Å; R64-T88 WeakPolarHBondContact CA-O 3.28Å; R64-T88 WeakPolarHBondContact CB-O 3.25Å; R64-T88 PolarHBondContact O-N 2.73Å; R64-T88 VanDerWaalsContact O-O 3.09Å; L66-T88 HydrophobicContact CD1-CG2 4.08Å; L66-T88 HydrophobicContact CG-CG2 4.2Å; T88-F90 HydrophobicContact CG2-CE1 4.16Å; T88-F90 HydrophobicContact CG2-CE2 4.07Å; T88-F90 HydrophobicContact CG2-CZ 3.83Å | ||
| 89 | K | 71.2 | Confident | 64.2 | Low | 72 Ų | 72 | 66.3 Ų | 66.3 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | trans | -96.5 | 113.2 | 171.5 | -174.1 | -170.3 | 179.1 | -164.5 | 0 | 107.5 | Y114 | K89-Y114 HydrophobicContact CB-CD2 3.91Å; K89-Y114 HydrophobicContact CB-CE2 4.07Å | ||
| 90 | F | 58.4 | Low | 61.7 | Low | 75 Ų | 75 | 70.3 Ų | 70.3 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 140.9 | 164.9 | -57.3 | -78.8 | 0 | 0 | 0 | 108.4 | V60 L66 T88 D92 | V60-F90 HydrophobicContact CG1-CE2 4.44Å; L66-F90 HydrophobicContact CD1-CE1 4.45Å; L66-F90 HydrophobicContact CD1-CZ 4.22Å; L66-F90 HydrophobicContact CD2-CE1 4.47Å; L66-F90 HydrophobicContact CD2-CZ 3.78Å; L66-F90 HydrophobicContact CG-CZ 3.85Å; T88-F90 HydrophobicContact CG2-CE1 4.16Å; T88-F90 HydrophobicContact CG2-CE2 4.07Å; T88-F90 HydrophobicContact CG2-CZ 3.83Å; F90-D92 PolarHBondContact O-N 3.18Å |
| 91 | P | 51.9 | Low | 59.6 | Low | 106 Ų | 106 | 73.6 Ų | 73.6 | 69% | 0.688 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 128.7 | 164.7 | 29.2 | -31.7 | 0 | 0 | 0 | 108.3 | ||
| 92 | D | 41.2 | Very low | 56.9 | Low | 133 Ų | 133 | 72.2 Ų | 72.2 | 71% | 0.711 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 137.5 | 170.3 | -58.8 | -64.3 | 0 | 0 | 0 | 108.8 | F90 V94 | F90-D92 PolarHBondContact O-N 3.18Å; D92-V94 PolarHBondContact O-N 2.88Å |
| 93 | G | 34.1 | Very low | 53.9 | Low | 84 Ų | 84 | 77.2 Ų | 77.2 | 87% | 0.866 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 37.2 | -156.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 94 | V | 31.9 | Very low | 51.2 | Low | 113 Ų | 113 | 81.3 Ų | 81.3 | 69% | 0.685 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -17.5 | -174.3 | -175 | 0 | 0 | 0 | 0 | 112.8 | D92 | D92-V94 PolarHBondContact O-N 2.88Š|
| 95 | F | 29.5 | Very low | 48.6 | Very low | 156 Ų | 156 | 87.9 Ų | 87.9 | 68% | 0.684 | 49% | 0.491 | S | S | * | . | trans | -131.7 | 111.8 | -178.4 | -68.1 | -76.2 | 0 | 0 | 0 | 113.8 | S97 | F95-S97 PolarHBondContact O-N 3.49Å; F95-S97 VanDerWaalsContact O-N 3.08Å | ||
| 96 | Y | 32.4 | Very low | 46.1 | Very low | 212 Ų | 212 | 98 Ų | 98 | 83% | 0.831 | 53% | 0.531 | S | S | * | . | trans | -79.9 | 38.9 | 169.6 | -80 | -79.9 | 0 | 0 | 0 | 112.9 | ||||
| 97 | S | 30.1 | Very low | 44.6 | Very low | 78 Ų | 78 | 100.5 Ų | 100.5 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | trans | -119.9 | 119.6 | 170.6 | 45.4 | 0 | 0 | 0 | 0 | 109.5 | F95 P99 | F95-S97 PolarHBondContact O-N 3.49Å; F95-S97 VanDerWaalsContact O-N 3.08Å; S97-P99 WeakPolarHBondContact O-CD 3.48Å | ||
| 98 | V | 36.5 | Very low | 43.2 | Very low | 128 Ų | 128 | 104.4 Ų | 104.4 | 78% | 0.776 | 56% | 0.564 | S | S | * | * | trans | -59.2 | 125.2 | 159.7 | 178.8 | 0 | 0 | 0 | 0 | 106.2 | Q100 | V98-Q100 PolarHBondContact O-N 3.08Š| ||
| 99 | P | 33.3 | Very low | 42.6 | Very low | 61 Ų | 61 | 109.4 Ų | 109.4 | 40% | 0.396 | 59% | 0.59 | S | S | . | * | trans | -57.5 | 115.7 | 179.3 | -26 | 35.2 | 0 | 0 | 0 | 110 | S97 Y101 | S97-P99 WeakPolarHBondContact O-CD 3.48Å; P99-Y101 HydrophobicContact CB-CE1 4.45Å; P99-Y101 WeakPolarHBondContact O-CD2 3.37Å; P99-Y101 PolarHBondContact O-N 2.79Å | ||
| 100 | Q | 35.9 | Very low | 42.4 | Very low | 144 Ų | 144 | 110.7 Ų | 110.7 | 67% | 0.673 | 60% | 0.597 | S | S | * | * | trans | -70 | 101.6 | 166.7 | -72.6 | -172.4 | -32.6 | 0 | 0 | 106.8 | V98 S102 | V98-Q100 PolarHBondContact O-N 3.08Å; Q100-S102 PolarHBondContact O-N 3.37Å | ||
| 101 | Y | 47.1 | Very low | 42.8 | Very low | 71 Ų | 71 | 108 Ų | 108 | 28% | 0.278 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.8 | 25.1 | 178.8 | -59.8 | -76 | 0 | 0 | 0 | 113.9 | P99 F111 | P99-Y101 HydrophobicContact CB-CE1 4.45Å; P99-Y101 WeakPolarHBondContact O-CD2 3.37Å; P99-Y101 PolarHBondContact O-N 2.79Å; Y101-F111 HydrophobicContact CE1-CD2 4.44Å |
| 102 | S | 35.5 | Very low | 43.8 | Very low | 60 Ų | 60 | 105.3 Ų | 105.3 | 42% | 0.42 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -10.7 | -178.6 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | Q100 | Q100-S102 PolarHBondContact O-N 3.37Š|
| 103 | T | 31.1 | Very low | 45.5 | Very low | 105 Ų | 105 | 103.2 Ų | 103.2 | 64% | 0.644 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -142.1 | 146.9 | -178.9 | 50 | 0 | 0 | 0 | 0 | 114 | ||
| 104 | C | 35.6 | Very low | 47.7 | Very low | 98 Ų | 98 | 99.6 Ų | 99.6 | 66% | 0.662 | 51% | 0.512 | S | S | * | . | trans | 78.1 | 122.5 | 166 | -57.8 | 0 | 0 | 0 | 0 | 118.8 | Y106 | C104-Y106 PolarHBondContact O-N 3.22Š| ||
| 105 | D | 38.8 | Very low | 49.9 | Very low | 137 Ų | 137 | 94.3 Ų | 94.3 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -8 | 172.5 | -55.7 | -87.5 | 0 | 0 | 0 | 115 | ||
| 106 | Y | 38.7 | Very low | 52.3 | Low | 213 Ų | 213 | 91.1 Ų | 91.1 | 84% | 0.835 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.7 | -32.3 | -175.5 | -147.4 | -100.2 | 0 | 0 | 0 | 112.7 | C104 | C104-Y106 PolarHBondContact O-N 3.22Å |
| 107 | D | 58 | Low | 54.6 | Low | 53 Ų | 53 | 84.5 Ų | 84.5 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -76.1 | -28.5 | -175.5 | -128.4 | -24.9 | 0 | 0 | 0 | 112.7 | N109 Q110 F111 | D107-N109 VanDerWaalsContact C-N 3.3Å; D107-N109 PolarHBondContact O-N 3.42Å; D107-Q110 PolarHBondContact O-N 2.77Å; D107-F111 WeakPolarHBondContact O-CB 3.3Å; D107-F111 PolarHBondContact O-N 2.86Å |
| 108 | I | 57.2 | Low | 57 | Low | 82 Ų | 82 | 80.8 Ų | 80.8 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | -174.2 | -63.1 | 176.1 | 0 | 0 | 0 | 111.3 | F111 L112 | I108-F111 PolarHBondContact O-N 3.36Å; I108-L112 HydrophobicContact CG2-CD1 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.18Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 WeakPolarHBondContact O-CG 3.39Å; I108-L112 PolarHBondContact O-N 3.26Å |
| 109 | N | 65.4 | Low | 59.2 | Low | 117 Ų | 117 | 75.2 Ų | 75.2 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67.5 | -44.3 | -179.2 | -72.3 | -49.8 | 0 | 0 | 0 | 112.5 | D107 F111 L112 E113 | D107-N109 VanDerWaalsContact C-N 3.3Å; D107-N109 PolarHBondContact O-N 3.42Å; N109-F111 VanDerWaalsContact C-N 3.25Å; N109-F111 PolarHBondContact O-N 3.15Å; N109-L112 PolarHBondContact O-N 3.38Å; N109-E113 WeakPolarHBondContact O-CB 3.25Å; N109-E113 PolarHBondContact O-N 3.17Å |
| 110 | Q | 68.2 | Low | 61.5 | Low | 98 Ų | 98 | 77 Ų | 77 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70 | -27.3 | 177.8 | -160 | 179.6 | 81.7 | 0 | 0 | 111.4 | D107 Y114 | D107-Q110 PolarHBondContact O-N 2.77Å; Q110-Y114 PolarHBondContact O-N 2.84Å |
| 111 | F | 67 | Low | 63.9 | Low | 19 Ų | 19 | 72.6 Ų | 72.6 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72 | -45 | 171.4 | -161.7 | -76.5 | 0 | 0 | 0 | 112.9 | L22 P23 Y101 D107 I108 N109 E113 Y114 I115 V183 | L22-F111 HydrophobicContact CD2-CE1 4.29Å; L22-F111 HydrophobicContact CD2-CE2 3.74Å; L22-F111 HydrophobicContact CD2-CZ 3.41Å; L22-F111 VanDerWaalsContact CD2-CZ 3.41Å; L22-F111 HydrophobicContact CG-CZ 3.83Å; P23-F111 HydrophobicContact CG-CE2 4.44Å; Y101-F111 HydrophobicContact CE1-CD2 4.44Å; D107-F111 WeakPolarHBondContact O-CB 3.3Å; D107-F111 PolarHBondContact O-N 2.86Å; I108-F111 PolarHBondContact O-N 3.36Å; N109-F111 VanDerWaalsContact C-N 3.25Å; N109-F111 PolarHBondContact O-N 3.15Å; F111-E113 VanDerWaalsContact C-N 3.28Å; F111-E113 PolarHBondContact O-N 3.43Å; F111-Y114 HydrophobicContact CE1-CD1 4.24Å; F111-Y114 HydrophobicContact CE2-CD1 4.25Å; F111-Y114 AromaticContact CZ-CD1 3.98Å; F111-Y114 HydrophobicContact CZ-CD1 3.98Å; F111-Y114 HydrophobicContact CZ-CE1 4.17Å; F111-Y114 WeakPolarHBondContact O-CB 3.36Å; F111-Y114 PolarHBondContact O-N 2.74Å; F111-Y114 VanDerWaalsContact O-N 3.14Å; F111-I115 HydrophobicContact CD1-CG1 3.91Å; F111-I115 HydrophobicContact CE1-CD1 3.8Å; F111-I115 HydrophobicContact CE1-CG1 3.49Å; F111-I115 VanDerWaalsContact CE1-CG1 3.49Å; F111-I115 HydrophobicContact CZ-CD1 4.46Å; F111-I115 HydrophobicContact CZ-CG1 4.5Å; F111-I115 PolarHBondContact O-N 3.27Å; F111-V183 HydrophobicContact CD1-CG2 3.48Å; F111-V183 VanDerWaalsContact CD1-CG2 3.48Å; F111-V183 HydrophobicContact CE1-CB 4.04Å; F111-V183 HydrophobicContact CE1-CG1 3.55Å; F111-V183 HydrophobicContact CE1-CG2 3.24Å; F111-V183 HydrophobicContact CG-CG2 4.49Å; F111-V183 HydrophobicContact CZ-CG1 4.13Å; F111-V183 HydrophobicContact CZ-CG2 4.09Å |
| 112 | L | 72.9 | Confident | 65.7 | Low | 50 Ų | 50 | 75.8 Ų | 75.8 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.7 | -73.2 | 168.9 | 0 | 0 | 0 | 111.2 | I108 N109 I115 H116 E186 | I108-L112 HydrophobicContact CG2-CD1 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.18Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 WeakPolarHBondContact O-CG 3.39Å; I108-L112 PolarHBondContact O-N 3.26Å; N109-L112 PolarHBondContact O-N 3.38Å; L112-I115 PolarHBondContact O-N 3.45Å; L112-H116 PolarHBondContact O-N 2.64Å; L112-E186 HydrophobicContact CD2-CB 4.01Å; L112-E186 HydrophobicContact CD2-CG 3.82Å |
| 113 | E | 76.3 | Confident | 67.9 | Low | 88 Ų | 88 | 73.1 Ų | 73.1 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 172.7 | -174.5 | -176 | -175.6 | 0 | 0 | 112 | N109 F111 H116 K117 | N109-E113 WeakPolarHBondContact O-CB 3.25Å; N109-E113 PolarHBondContact O-N 3.17Å; F111-E113 VanDerWaalsContact C-N 3.28Å; F111-E113 PolarHBondContact O-N 3.43Å; E113-H116 PolarHBondContact O-N 3.11Å; E113-K117 HydrophobicContact CG-CD 3.49Å; E113-K117 VanDerWaalsContact CG-CD 3.49Å; E113-K117 WeakPolarHBondContact O-CB 3.3Å; E113-K117 WeakPolarHBondContact O-CG 3.44Å; E113-K117 PolarHBondContact O-N 3.46Å; E113-K117 IonicContact OE1-NZ 2.85Å; E113-K117 PolarHBondContact OE1-NZ 3.06Å |
| 114 | Y | 80 | Confident | 70 | Confident | 9 Ų | 9 | 73 Ų | 73 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 172.1 | 163.7 | -105 | 0 | 0 | 0 | 111.9 | G21 H87 K89 Q110 F111 K117 S118 | G21-Y114 VanDerWaalsContact O-CE1 3.32Å; G21-Y114 WeakPolarHBondContact O-CE1 3.4Å; G21-Y114 PolarHBondContact O-OH 3.08Å; H87-Y114 PolarHBondContact O-OH 3.2Å; K89-Y114 HydrophobicContact CB-CD2 3.91Å; K89-Y114 HydrophobicContact CB-CE2 4.07Å; Q110-Y114 PolarHBondContact O-N 2.84Å; F111-Y114 HydrophobicContact CE1-CD1 4.24Å; F111-Y114 HydrophobicContact CE2-CD1 4.25Å; F111-Y114 AromaticContact CZ-CD1 3.98Å; F111-Y114 HydrophobicContact CZ-CD1 3.98Å; F111-Y114 HydrophobicContact CZ-CE1 4.17Å; F111-Y114 WeakPolarHBondContact O-CB 3.36Å; F111-Y114 PolarHBondContact O-N 2.74Å; F111-Y114 VanDerWaalsContact O-N 3.14Å; Y114-K117 CarbonylContact O-C 2.87Å; Y114-S118 WeakPolarHBondContact CE2-OG 3.37Å; Y114-S118 VanDerWaalsContact O-CB 3.26Å; Y114-S118 WeakPolarHBondContact O-CB 3.36Å; Y114-S118 PolarHBondContact O-N 3.24Å; Y114-S118 PolarHBondContact O-OG 2.93Å |
| 115 | I | 78.1 | Confident | 71.3 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -49.7 | 176.8 | -69.6 | -67.2 | 0 | 0 | 0 | 111.5 | F111 L112 K117 S118 I119 V183 | F111-I115 HydrophobicContact CD1-CG1 3.91Å; F111-I115 HydrophobicContact CE1-CD1 3.8Å; F111-I115 HydrophobicContact CE1-CG1 3.49Å; F111-I115 VanDerWaalsContact CE1-CG1 3.49Å; F111-I115 HydrophobicContact CZ-CD1 4.46Å; F111-I115 HydrophobicContact CZ-CG1 4.5Å; F111-I115 PolarHBondContact O-N 3.27Å; L112-I115 PolarHBondContact O-N 3.45Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 2.88Å; I115-S118 PolarHBondContact O-N 2.9Å; I115-S118 VanDerWaalsContact O-N 3.11Å; I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 3.23Å; I115-V183 HydrophobicContact CD1-CG1 3.89Å; I115-V183 HydrophobicContact CG1-CG1 4.3Å |
| 116 | H | 80.9 | Confident | 71.9 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.6 | -47.5 | 178.5 | -71 | 176.2 | 0 | 0 | 0 | 111.8 | L112 E113 S118 I119 C190 | L112-H116 PolarHBondContact O-N 2.64Å; E113-H116 PolarHBondContact O-N 3.11Å; H116-S118 VanDerWaalsContact C-N 3.28Å; H116-S118 PolarHBondContact O-N 2.9Å; H116-I119 PolarHBondContact O-N 3.14Å; H116-C190 PolarHBondContact CD2-SG 2.99Å |
| 117 | K | 79.8 | Confident | 72.3 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.4 | -179.5 | -62 | 158.2 | 101.5 | 179.9 | 0 | 113.5 | E113 Y114 I115 | E113-K117 HydrophobicContact CG-CD 3.49Å; E113-K117 VanDerWaalsContact CG-CD 3.49Å; E113-K117 WeakPolarHBondContact O-CB 3.3Å; E113-K117 WeakPolarHBondContact O-CG 3.44Å; E113-K117 PolarHBondContact O-N 3.46Å; E113-K117 IonicContact OE1-NZ 2.85Å; E113-K117 PolarHBondContact OE1-NZ 3.06Å; Y114-K117 CarbonylContact O-C 2.87Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 2.88Å |
| 118 | S | 80.9 | Confident | 72.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -13.1 | 167.1 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | I20 H87 Y114 I115 H116 | I20-S118 VanDerWaalsContact CG2-O 3.25Å; I20-S118 WeakPolarHBondContact CG2-O 3.47Å; H87-S118 PolarHBondContact CD2-O 3.27Å; Y114-S118 WeakPolarHBondContact CE2-OG 3.37Å; Y114-S118 VanDerWaalsContact O-CB 3.26Å; Y114-S118 WeakPolarHBondContact O-CB 3.36Å; Y114-S118 PolarHBondContact O-N 3.24Å; Y114-S118 PolarHBondContact O-OG 2.93Å; I115-S118 PolarHBondContact O-N 2.9Å; I115-S118 VanDerWaalsContact O-N 3.11Å; H116-S118 VanDerWaalsContact C-N 3.28Å; H116-S118 PolarHBondContact O-N 2.9Å |
| 119 | I | 82.4 | Confident | 71.6 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -108.5 | 8.5 | -174.2 | -65.7 | 172.3 | 0 | 0 | 0 | 110.4 | I20 I115 H116 I121 C190 F191 V194 | I20-I119 HydrophobicContact CD1-CD1 3.85Å; I20-I119 HydrophobicContact CD1-CG1 3.57Å; I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 3.23Å; H116-I119 PolarHBondContact O-N 3.14Å; I119-I121 PolarHBondContact O-N 3.06Å; I119-C190 HydrophobicContact CD1-CB 3.51Å; I119-C190 HydrophobicContact CG2-CB 4.03Å; I119-F191 HydrophobicContact CD1-CE1 4.4Å; I119-F191 HydrophobicContact CG1-CE1 4.28Å; I119-F191 HydrophobicContact CG2-CD1 4.25Å; I119-V194 HydrophobicContact CG2-CG2 3.26Å |
| 120 | E | 82.8 | Confident | 71 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 46% | 0.458 | 32% | 0.319 | S | S | . | . | trans | -68 | 124.1 | 175 | -174.5 | 162 | -144.1 | 0 | 0 | 110.9 | L123 | E120-L123 HydrophobicContact CB-CD2 4.33Å; E120-L123 HydrophobicContact CG-CD2 4.32Å | ||
| 121 | I | 84.6 | Confident | 70.2 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -76 | -33.6 | -172.7 | -36.5 | -179 | 0 | 0 | 0 | 111.8 | I119 E153 V154 V194 K196 | I119-I121 PolarHBondContact O-N 3.06Å; I121-E153 HydrophobicContact CB-CG 4.48Å; I121-E153 HydrophobicContact CG2-CG 3.55Å; I121-E153 CarbonylContact O-C 3.53Å; I121-E153 WeakPolarHBondContact O-CA 3.34Å; I121-V154 HydrophobicContact CG2-CB 4.44Å; I121-V154 VanDerWaalsContact CG2-O 3.25Å; I121-V154 WeakPolarHBondContact CG2-O 2.8Å; I121-V154 PolarHBondContact O-N 2.92Å; I121-V194 HydrophobicContact CD1-CG1 3.48Å; I121-V194 VanDerWaalsContact CD1-CG1 3.48Å; I121-V194 HydrophobicContact CG1-CG1 3.56Å; I121-K196 HydrophobicContact CD1-CG 4.47Å; I121-K196 HydrophobicContact CG2-CD 4.3Å; I121-K196 HydrophobicContact CG2-CG 4.33Å |
| 122 | R | 86.1 | Confident | 69.3 | Low | 137 Ų | 137 | 65.5 Ų | 65.5 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.6 | -169.8 | -77.2 | 170.2 | 167 | -124.5 | 1.6 | 110 | E151 V152 E153 | R122-E151 VanDerWaalsContact CD-OE1 3.25Å; R122-E151 WeakPolarHBondContact CD-OE1 3.26Å; R122-E151 WeakPolarHBondContact CG-OE1 3.26Å; R122-E151 IonicContact CZ-OE1 3.78Å; R122-E151 IonicContact NE-OE1 2.85Å; R122-E151 IonicContact NH1-OE1 3.87Å; R122-E151 PolarHBondContact NH1-OE1 2.67Å; R122-V152 WeakPolarHBondContact CA-O 3.46Å; R122-E153 HydrophobicContact CG-CB 4.48Å; R122-E153 HydrophobicContact CG-CG 4.06Å; R122-E153 IonicContact CZ-OE2 2.71Å; R122-E153 IonicContact NE-OE2 3.27Å; R122-E153 PolarHBondContact NE-OE2 2.85Å; R122-E153 IonicContact NH2-OE2 3.04Å; R122-E153 PolarHBondContact NH2-OE2 3.43Å |
| 123 | L | 81 | Confident | 67.9 | Low | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118.9 | -172.3 | -57.6 | 174.7 | 0 | 0 | 0 | 108.4 | L85 E120 F125 E151 V152 V154 | L85-L123 HydrophobicContact CD1-CD1 3.83Å; E120-L123 HydrophobicContact CB-CD2 4.33Å; E120-L123 HydrophobicContact CG-CD2 4.32Å; L123-F125 HydrophobicContact CB-CE2 4.2Å; L123-F125 WeakPolarHBondContact O-CD2 3.41Å; L123-E151 WeakPolarHBondContact O-CA 3.42Å; L123-V152 PolarHBondContact N-O 2.75Å; L123-V152 PolarHBondContact O-N 2.75Å; L123-V154 HydrophobicContact CD1-CG2 3.86Å; L123-V154 HydrophobicContact CG-CG2 4.48Å |
| 124 | V | 74.6 | Confident | 66.1 | Low | 102 Ų | 102 | 69 Ų | 69 | 62% | 0.618 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.9 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | N150 | V124-N150 CarbonylContact C-O 3.59Å; V124-N150 WeakPolarHBondContact CA-O 3.37Å |
| 125 | F | 62.8 | Low | 64.1 | Low | 16 Ų | 16 | 76.2 Ų | 76.2 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | trans | -101.8 | 130 | -176.9 | -79.1 | -120.3 | 0 | 0 | 0 | 110 | W65 L85 L123 F147 N150 V152 | W65-F125 HydrophobicContact CE3-CZ 4.35Å; W65-F125 AromaticContact CH2-CD1 3.57Å; W65-F125 HydrophobicContact CH2-CD1 3.57Å; W65-F125 AromaticContact CH2-CD2 3.79Å; W65-F125 HydrophobicContact CH2-CD2 3.79Å; W65-F125 AromaticContact CH2-CE1 3.29Å; W65-F125 HydrophobicContact CH2-CE1 3.29Å; W65-F125 AromaticContact CH2-CE2 3.51Å; W65-F125 HydrophobicContact CH2-CE2 3.51Å; W65-F125 AromaticContact CH2-CG 3.8Å; W65-F125 HydrophobicContact CH2-CG 3.8Å; W65-F125 AromaticContact CH2-CZ 3.26Å; W65-F125 HydrophobicContact CH2-CZ 3.26Å; W65-F125 HydrophobicContact CZ2-CD1 4.49Å; W65-F125 AromaticContact CZ2-CD2 3.97Å; W65-F125 HydrophobicContact CZ2-CD2 3.97Å; W65-F125 HydrophobicContact CZ2-CE1 4.34Å; W65-F125 AromaticContact CZ2-CE2 3.79Å; W65-F125 HydrophobicContact CZ2-CE2 3.79Å; W65-F125 HydrophobicContact CZ2-CG 4.3Å; W65-F125 AromaticContact CZ2-CZ 4Å; W65-F125 HydrophobicContact CZ2-CZ 4Å; W65-F125 HydrophobicContact CZ3-CD1 4.22Å; W65-F125 AromaticContact CZ3-CE1 3.52Å; W65-F125 HydrophobicContact CZ3-CE1 3.52Å; W65-F125 HydrophobicContact CZ3-CE2 4.11Å; W65-F125 AromaticContact CZ3-CZ 3.45Å; W65-F125 HydrophobicContact CZ3-CZ 3.45Å; W65-F125 VanDerWaalsContact CZ3-CZ 3.45Å; L85-F125 HydrophobicContact CD2-CZ 4.06Å; L123-F125 HydrophobicContact CB-CE2 4.2Å; L123-F125 WeakPolarHBondContact O-CD2 3.41Å; F125-F147 AromaticContact CD1-CD2 3.88Å; F125-F147 HydrophobicContact CD1-CD2 3.88Å; F125-F147 AromaticContact CD1-CE2 3.9Å; F125-F147 HydrophobicContact CD1-CE2 3.9Å; F125-F147 HydrophobicContact CD1-CG 4.31Å; F125-F147 HydrophobicContact CD1-CZ 4.31Å; F125-F147 HydrophobicContact CE1-CD1 4.39Å; F125-F147 AromaticContact CE1-CD2 3.74Å; F125-F147 HydrophobicContact CE1-CD2 3.74Å; F125-F147 AromaticContact CE1-CE1 3.98Å; F125-F147 HydrophobicContact CE1-CE1 3.98Å; F125-F147 AromaticContact CE1-CE2 3.26Å; F125-F147 HydrophobicContact CE1-CE2 3.26Å; F125-F147 HydrophobicContact CE1-CG 4.29Å; F125-F147 AromaticContact CE1-CZ 3.4Å; F125-F147 HydrophobicContact CE1-CZ 3.4Å; F125-F147 AromaticContact CZ-CE1 3.91Å; F125-F147 HydrophobicContact CZ-CE1 3.91Å; F125-F147 AromaticContact CZ-CE2 3.98Å; F125-F147 HydrophobicContact CZ-CE2 3.98Å; F125-F147 AromaticContact CZ-CZ 3.59Å; F125-F147 HydrophobicContact CZ-CZ 3.59Å; F125-N150 PolarHBondContact N-O 3.15Å; F125-V152 HydrophobicContact CD2-CB 4.33Å; F125-V152 HydrophobicContact CD2-CG2 3.7Å; F125-V152 HydrophobicContact CE2-CB 3.74Å; F125-V152 HydrophobicContact CE2-CG2 3.33Å; F125-V152 HydrophobicContact CZ-CB 4.45Å; F125-V152 HydrophobicContact CZ-CG2 3.87Å | ||
| 126 | K | 52.3 | Low | 62 | Low | 161 Ų | 161 | 79.8 Ų | 79.8 | 70% | 0.7 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -122.1 | 114.1 | 158.6 | -76.2 | -173.8 | 175.9 | -178.7 | 0 | 107.9 | K128 | K126-K128 PolarHBondContact O-N 3.02Š|
| 127 | N | 47.5 | Very low | 59.7 | Low | 162 Ų | 162 | 82.1 Ų | 82.1 | 87% | 0.866 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 37.8 | 50.5 | 166.9 | -60.4 | 10.8 | 0 | 0 | 0 | 116.4 | ||
| 128 | K | 53.8 | Low | 57.5 | Low | 44 Ų | 44 | 82.1 Ų | 82.1 | 19% | 0.191 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 119.4 | -175.3 | -151.2 | 170.1 | -166.1 | 173.9 | 0 | 112.8 | S63 W65 K126 | S63-K128 PolarHBondContact O-NZ 3.47Å; S63-K128 PolarHBondContact OG-NZ 3.18Å; W65-K128 HydrophobicContact CE3-CD 4.4Å; W65-K128 HydrophobicContact CH2-CD 3.84Å; W65-K128 HydrophobicContact CZ3-CD 3.74Å; W65-K128 PolarHBondContact O-NZ 2.96Å; K126-K128 PolarHBondContact O-N 3.02Å |
| 129 | L | 47 | Very low | 55.1 | Low | 140 Ų | 140 | 92.2 Ų | 92.2 | 73% | 0.733 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 148.6 | 174.4 | -73.6 | 164.8 | 0 | 0 | 0 | 111.7 | ||
| 130 | T | 52.6 | Low | 52.5 | Low | 34 Ų | 34 | 95.6 Ų | 95.6 | 21% | 0.209 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 137.1 | 172 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | Y67 A132 C146 | Y67-T130 HydrophobicContact CD1-CG2 3.82Å; Y67-T130 WeakPolarHBondContact CD1-OG1 3.44Å; Y67-T130 HydrophobicContact CE1-CG2 3.94Å; T130-A132 PolarHBondContact O-N 3.44Å; T130-C146 PolarHBondContact OG1-SG 3.49Å |
| 131 | Y | 51.7 | Low | 50 | Low | 62 Ų | 62 | 94.4 Ų | 94.4 | 24% | 0.243 | 52% | 0.517 | C | S | . | . | trans | -78.1 | 55.8 | 176.6 | -158.6 | -97.7 | 0 | 0 | 0 | 111.7 | P46 L66 Y67 W68 C133 | P46-Y131 HydrophobicContact CB-CE1 4.37Å; P46-Y131 PolarHBondContact O-OH 3.42Å; P46-Y131 VanDerWaalsContact O-OH 3.06Å; L66-Y131 HydrophobicContact CD2-CD2 3.78Å; L66-Y131 HydrophobicContact CD2-CE2 4.41Å; L66-Y131 HydrophobicContact CD2-CG 4.08Å; Y67-Y131 PolarHBondContact O-N 3.23Å; W68-Y131 AromaticContact CH2-CD1 4Å; W68-Y131 HydrophobicContact CH2-CD1 4Å; W68-Y131 HydrophobicContact CH2-CE1 4.29Å; W68-Y131 HydrophobicContact CZ2-CD1 4.16Å; W68-Y131 HydrophobicContact CZ3-CD1 4.34Å; Y131-C133 PolarHBondContact O-N 3.08Å | ||
| 132 | A | 47.7 | Very low | 47.4 | Very low | 42 Ų | 42 | 96.8 Ų | 96.8 | 35% | 0.347 | 54% | 0.539 | S | S | . | . | trans | -71.7 | 113.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108 | T130 K134 | T130-A132 PolarHBondContact O-N 3.44Å; A132-K134 PolarHBondContact O-N 2.71Å | ||
| 133 | C | 43.2 | Very low | 44.9 | Very low | 33 Ų | 33 | 93.7 Ų | 93.7 | 22% | 0.223 | 54% | 0.535 | C | S | . | . | trans | -52 | 125.9 | -179.3 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | I49 Y131 K135 | I49-C133 WeakPolarHBondContact CD1-SG 3.25Å; Y131-C133 PolarHBondContact O-N 3.08Å; C133-K135 PolarHBondContact O-N 2.69Å | ||
| 134 | K | 39 | Very low | 42.7 | Very low | 179 Ų | 179 | 96.4 Ų | 96.4 | 78% | 0.778 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -78 | 44.7 | -160.6 | -155 | 177.6 | -178.8 | -177.6 | 0 | 114.3 | A132 | A132-K134 PolarHBondContact O-N 2.71Š|
| 135 | K | 37.4 | Very low | 41.1 | Very low | 160 Ų | 160 | 98.5 Ų | 98.5 | 70% | 0.696 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -106.5 | 95.9 | 172.3 | -88.9 | -170.7 | 170.9 | -176.2 | 0 | 111.3 | C133 V137 | C133-K135 PolarHBondContact O-N 2.69Å; K135-V137 VanDerWaalsContact C-N 3.28Å; K135-V137 PolarHBondContact O-N 2.82Å |
| 136 | G | 34.5 | Very low | 40.4 | Very low | 75 Ų | 75 | 100 Ų | 100 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 66.7 | -43.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | C138 | G136-C138 VanDerWaalsContact C-N 3.33Å; G136-C138 PolarHBondContact O-N 3.27Å |
| 137 | V | 32.8 | Very low | 40.3 | Very low | 139 Ų | 139 | 94.9 Ų | 94.9 | 84% | 0.842 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -10.8 | -156.9 | -179.4 | 0 | 0 | 0 | 0 | 114.5 | K135 | K135-V137 VanDerWaalsContact C-N 3.28Å; K135-V137 PolarHBondContact O-N 2.82Å |
| 138 | C | 33.4 | Very low | 40.5 | Very low | 73 Ų | 73 | 91.7 Ų | 91.7 | 49% | 0.493 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.5 | 32.2 | -176.7 | -63.8 | 0 | 0 | 0 | 0 | 115 | G136 G140 | G136-C138 VanDerWaalsContact C-N 3.33Å; G136-C138 PolarHBondContact O-N 3.27Å; C138-G140 PolarHBondContact O-N 3.2Å |
| 139 | K | 29.5 | Very low | 40.6 | Very low | 213 Ų | 213 | 92.7 Ų | 92.7 | 93% | 0.926 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -84.8 | 78.9 | 159.5 | -85 | -169.2 | 172.7 | -175.1 | 0 | 109.7 | ||
| 140 | G | 28.1 | Very low | 41.5 | Very low | 81 Ų | 81 | 92.3 Ų | 92.3 | 84% | 0.835 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 168.3 | -32.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | C138 | C138-G140 PolarHBondContact O-N 3.2Š|
| 141 | S | 30.3 | Very low | 42.6 | Very low | 73 Ų | 73 | 94.6 Ų | 94.6 | 51% | 0.51 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -91.1 | 130.4 | 175.7 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | T143 | S141-T143 PolarHBondContact O-N 3.48Š|
| 142 | S | 29.7 | Very low | 44 | Very low | 103 Ų | 103 | 92.1 Ų | 92.1 | 72% | 0.72 | 58% | 0.578 | S | S | * | * | trans | -71.6 | 92.1 | 175.7 | 48.8 | 0 | 0 | 0 | 0 | 111 | G144 | S142-G144 PolarHBondContact O-N 2.98Š| ||
| 143 | T | 33.3 | Very low | 45.9 | Very low | 72 Ų | 72 | 93.7 Ų | 93.7 | 44% | 0.442 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | 27.8 | -174.7 | 41 | 0 | 0 | 0 | 0 | 115.3 | S141 | S141-T143 PolarHBondContact O-N 3.48Š|
| 144 | G | 36.5 | Very low | 48.2 | Very low | 61 Ų | 61 | 92.1 Ų | 92.1 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S142 C146 | S142-G144 PolarHBondContact O-N 2.98Å; G144-C146 VanDerWaalsContact C-N 3.35Å; G144-C146 PolarHBondContact O-N 3.02Å; G144-C146 VanDerWaalsContact O-N 3.11Å |
| 145 | D | 40.5 | Very low | 50.8 | Low | 146 Ų | 146 | 86 Ų | 86 | 78% | 0.781 | 54% | 0.543 | S | S | * | . | trans | -94.3 | 38.9 | -156.9 | -53.4 | -39.2 | 0 | 0 | 0 | 114.5 | F147 | D145-F147 VanDerWaalsContact C-N 3.33Å; D145-F147 PolarHBondContact O-N 3.4Å | ||
| 146 | C | 48.1 | Very low | 53.4 | Low | 48 Ų | 48 | 78.4 Ų | 78.4 | 32% | 0.324 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -75 | -15.7 | -175.9 | -73.4 | 0 | 0 | 0 | 0 | 114.9 | Y67 T130 G144 | Y67-C146 HydrophobicContact CE1-CB 3.81Å; T130-C146 PolarHBondContact OG1-SG 3.49Å; G144-C146 VanDerWaalsContact C-N 3.35Å; G144-C146 PolarHBondContact O-N 3.02Å; G144-C146 VanDerWaalsContact O-N 3.11Å |
| 147 | F | 51.1 | Low | 56.2 | Low | 53 Ų | 53 | 74.8 Ų | 74.8 | 23% | 0.232 | 47% | 0.473 | C | S | . | . | trans | -142.2 | 123.6 | -178 | -67 | -82 | 0 | 0 | 0 | 111.8 | Y67 Q83 F125 D145 S149 V152 | Y67-F147 AromaticContact CD1-CE2 3.69Å; Y67-F147 HydrophobicContact CD1-CE2 3.69Å; Y67-F147 HydrophobicContact CD1-CZ 4.09Å; Y67-F147 HydrophobicContact CD2-CE2 4.41Å; Y67-F147 AromaticContact CD2-CZ 3.98Å; Y67-F147 HydrophobicContact CD2-CZ 3.98Å; Y67-F147 AromaticContact CE1-CE2 3.73Å; Y67-F147 HydrophobicContact CE1-CE2 3.73Å; Y67-F147 HydrophobicContact CE1-CZ 4.04Å; Y67-F147 HydrophobicContact CE2-CE2 4.47Å; Y67-F147 AromaticContact CE2-CZ 3.97Å; Y67-F147 HydrophobicContact CE2-CZ 3.97Å; Y67-F147 HydrophobicContact CG-CE2 4.04Å; Y67-F147 HydrophobicContact CG-CZ 4.05Å; Y67-F147 AromaticContact CZ-CZ 3.98Å; Q83-F147 VanDerWaalsContact NE2-CZ 3.3Å; F125-F147 AromaticContact CD1-CD2 3.88Å; F125-F147 HydrophobicContact CD1-CD2 3.88Å; F125-F147 AromaticContact CD1-CE2 3.9Å; F125-F147 HydrophobicContact CD1-CE2 3.9Å; F125-F147 HydrophobicContact CD1-CG 4.31Å; F125-F147 HydrophobicContact CD1-CZ 4.31Å; F125-F147 HydrophobicContact CE1-CD1 4.39Å; F125-F147 AromaticContact CE1-CD2 3.74Å; F125-F147 HydrophobicContact CE1-CD2 3.74Å; F125-F147 AromaticContact CE1-CE1 3.98Å; F125-F147 HydrophobicContact CE1-CE1 3.98Å; F125-F147 AromaticContact CE1-CE2 3.26Å; F125-F147 HydrophobicContact CE1-CE2 3.26Å; F125-F147 HydrophobicContact CE1-CG 4.29Å; F125-F147 AromaticContact CE1-CZ 3.4Å; F125-F147 HydrophobicContact CE1-CZ 3.4Å; F125-F147 AromaticContact CZ-CE1 3.91Å; F125-F147 HydrophobicContact CZ-CE1 3.91Å; F125-F147 AromaticContact CZ-CE2 3.98Å; F125-F147 HydrophobicContact CZ-CE2 3.98Å; F125-F147 AromaticContact CZ-CZ 3.59Å; F125-F147 HydrophobicContact CZ-CZ 3.59Å; D145-F147 VanDerWaalsContact C-N 3.33Å; D145-F147 PolarHBondContact O-N 3.4Å; F147-S149 VanDerWaalsContact C-N 3.29Å; F147-V152 HydrophobicContact CD1-CG2 3.42Å; F147-V152 VanDerWaalsContact CD1-CG2 3.42Å; F147-V152 HydrophobicContact CE1-CG1 4.37Å; F147-V152 HydrophobicContact CE1-CG2 3.42Å; F147-V152 VanDerWaalsContact CE1-CG2 3.42Å; F147-V152 HydrophobicContact CG-CG2 4.45Å; F147-V152 HydrophobicContact CZ-CG2 4.46Å | ||
| 148 | G | 50.7 | Low | 59.2 | Low | 95 Ų | 95 | 68.2 Ų | 68.2 | 98% | 0.979 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -84.5 | 1.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 149 | S | 55.1 | Low | 61.9 | Low | 65 Ų | 65 | 64.9 Ų | 64.9 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -144.6 | 143.8 | -179.3 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | F147 E151 | F147-S149 VanDerWaalsContact C-N 3.29Å; S149-E151 PolarHBondContact O-N 3.24Å; S149-E151 PolarHBondContact OG-O 2.88Å |
| 150 | N | 66 | Low | 64.9 | Low | 132 Ų | 132 | 54.8 Ų | 54.8 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -76.1 | 2.2 | 177.3 | -62.7 | -8.7 | 0 | 0 | 0 | 113.3 | V124 F125 | V124-N150 CarbonylContact C-O 3.59Å; V124-N150 WeakPolarHBondContact CA-O 3.37Å; F125-N150 PolarHBondContact N-O 3.15Å |
| 151 | E | 76 | Confident | 67.6 | Low | 82 Ų | 82 | 51.4 Ų | 51.4 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.9 | 177.8 | -172.2 | -177.5 | 166.6 | 0 | 0 | 108.1 | R122 L123 S149 | R122-E151 VanDerWaalsContact CD-OE1 3.25Å; R122-E151 WeakPolarHBondContact CD-OE1 3.26Å; R122-E151 WeakPolarHBondContact CG-OE1 3.26Å; R122-E151 IonicContact CZ-OE1 3.78Å; R122-E151 IonicContact NE-OE1 2.85Å; R122-E151 IonicContact NH1-OE1 3.87Å; R122-E151 PolarHBondContact NH1-OE1 2.67Å; L123-E151 WeakPolarHBondContact O-CA 3.42Å; S149-E151 PolarHBondContact O-N 3.24Å; S149-E151 PolarHBondContact OG-O 2.88Å |
| 152 | V | 80.6 | Confident | 70.2 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131 | 180 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | T16 L85 R122 L123 F125 F147 | T16-V152 HydrophobicContact CG2-CG1 3.83Å; L85-V152 HydrophobicContact CD1-CG1 4.34Å; R122-V152 WeakPolarHBondContact CA-O 3.46Å; L123-V152 PolarHBondContact N-O 2.75Å; L123-V152 PolarHBondContact O-N 2.75Å; F125-V152 HydrophobicContact CD2-CB 4.33Å; F125-V152 HydrophobicContact CD2-CG2 3.7Å; F125-V152 HydrophobicContact CE2-CB 3.74Å; F125-V152 HydrophobicContact CE2-CG2 3.33Å; F125-V152 HydrophobicContact CZ-CB 4.45Å; F125-V152 HydrophobicContact CZ-CG2 3.87Å; F147-V152 HydrophobicContact CD1-CG2 3.42Å; F147-V152 VanDerWaalsContact CD1-CG2 3.42Å; F147-V152 HydrophobicContact CE1-CG1 4.37Å; F147-V152 HydrophobicContact CE1-CG2 3.42Å; F147-V152 VanDerWaalsContact CE1-CG2 3.42Å; F147-V152 HydrophobicContact CG-CG2 4.45Å; F147-V152 HydrophobicContact CZ-CG2 4.46Å |
| 153 | E | 88.6 | Confident | 72.6 | Confident | 75 Ų | 75 | 43.7 Ų | 43.7 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.5 | 172.7 | -159.8 | 174.3 | 120.8 | 0 | 0 | 110.5 | T16 I121 R122 K196 | T16-E153 WeakPolarHBondContact CB-O 3.49Å; T16-E153 PolarHBondContact OG1-O 2.81Å; I121-E153 HydrophobicContact CB-CG 4.48Å; I121-E153 HydrophobicContact CG2-CG 3.55Å; I121-E153 CarbonylContact O-C 3.53Å; I121-E153 WeakPolarHBondContact O-CA 3.34Å; R122-E153 HydrophobicContact CG-CB 4.48Å; R122-E153 HydrophobicContact CG-CG 4.06Å; R122-E153 IonicContact CZ-OE2 2.71Å; R122-E153 IonicContact NE-OE2 3.27Å; R122-E153 PolarHBondContact NE-OE2 2.85Å; R122-E153 IonicContact NH2-OE2 3.04Å; R122-E153 PolarHBondContact NH2-OE2 3.43Å; E153-K196 IonicContact OE1-NZ 2.98Å; E153-K196 PolarHBondContact OE1-NZ 2.79Å |
| 154 | V | 91.6 | Very high | 74.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -81.3 | 128.8 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | T16 L85 I121 L123 G156 F157 K196 | T16-V154 HydrophobicContact CG2-CG2 4.23Å; L85-V154 HydrophobicContact CD1-CG2 4.36Å; I121-V154 HydrophobicContact CG2-CB 4.44Å; I121-V154 VanDerWaalsContact CG2-O 3.25Å; I121-V154 WeakPolarHBondContact CG2-O 2.8Å; I121-V154 PolarHBondContact O-N 2.92Å; L123-V154 HydrophobicContact CD1-CG2 3.86Å; L123-V154 HydrophobicContact CG-CG2 4.48Å; V154-G156 VanDerWaalsContact CG1-O 3.32Å; V154-G156 WeakPolarHBondContact CG1-O 3.36Å; V154-F157 HydrophobicContact CB-CZ 4.15Å; V154-F157 HydrophobicContact CG1-CD1 4.28Å; V154-F157 HydrophobicContact CG1-CD2 4.36Å; V154-F157 HydrophobicContact CG1-CE1 3.9Å; V154-F157 HydrophobicContact CG1-CE2 3.97Å; V154-F157 HydrophobicContact CG1-CZ 3.73Å; V154-K196 VanDerWaalsContact O-CD 3.32Å; V154-K196 WeakPolarHBondContact O-CD 3.48Å; V154-K196 VanDerWaalsContact O-CE 3.28Å; V154-K196 WeakPolarHBondContact O-CE 3.32Å; V154-K196 PolarHBondContact O-NZ 2.66Å | ||
| 155 | D | 92.8 | Very high | 75.6 | Confident | 50 Ų | 50 | 40.3 Ų | 40.3 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | trans | -91.6 | -28.7 | -177.8 | -63.4 | -55.9 | 0 | 0 | 0 | 113.9 | T16 K196 P197 M251 | T16-D155 PolarHBondContact N-OD2 3.11Å; T16-D155 WeakPolarHBondContact O-CB 3.26Å; T16-D155 PolarHBondContact O-N 3.22Å; D155-K196 VanDerWaalsContact O-CD 3.25Å; D155-K196 WeakPolarHBondContact O-CD 3.14Å; D155-K196 IonicContact OD1-NZ 3.21Å; D155-P197 WeakPolarHBondContact O-CD 3.37Å; D155-M251 HydrophobicContact CB-CE 3.39Å; D155-M251 HydrophobicContact CB-SD 4.14Å | ||
| 156 | G | 93.2 | Very high | 76.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 163.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T16 I17 G18 V154 P197 | T16-G156 PolarHBondContact O-N 3.13Å; I17-G156 WeakPolarHBondContact CA-O 3.34Å; G18-G156 PolarHBondContact N-O 3.26Å; V154-G156 VanDerWaalsContact CG1-O 3.32Å; V154-G156 WeakPolarHBondContact CG1-O 3.36Å; G156-P197 VanDerWaalsContact CA-O 3.3Å; G156-P197 WeakPolarHBondContact CA-O 3.41Å |
| 157 | F | 93.1 | Very high | 76.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.3 | -173 | -67.4 | -90.9 | 0 | 0 | 0 | 113.4 | G18 I20 V154 F191 V194 K196 P197 A198 V199 | G18-F157 CarbonylContact O-C 3.48Å; G18-F157 VanDerWaalsContact O-CA 3.25Å; G18-F157 WeakPolarHBondContact O-CA 3.38Å; I20-F157 HydrophobicContact CG2-CD1 4Å; I20-F157 HydrophobicContact CG2-CE1 4.49Å; V154-F157 HydrophobicContact CB-CZ 4.15Å; V154-F157 HydrophobicContact CG1-CD1 4.28Å; V154-F157 HydrophobicContact CG1-CD2 4.36Å; V154-F157 HydrophobicContact CG1-CE1 3.9Å; V154-F157 HydrophobicContact CG1-CE2 3.97Å; V154-F157 HydrophobicContact CG1-CZ 3.73Å; F157-F191 HydrophobicContact CB-CD1 4.42Å; F157-F191 HydrophobicContact CB-CE1 3.45Å; F157-F191 VanDerWaalsContact CB-CE1 3.45Å; F157-F191 HydrophobicContact CB-CZ 3.78Å; F157-F191 HydrophobicContact CD1-CE1 4.14Å; F157-F191 HydrophobicContact CD2-CD1 4.46Å; F157-F191 HydrophobicContact CD2-CE1 4.07Å; F157-F191 HydrophobicContact CG-CD1 4.45Å; F157-F191 AromaticContact CG-CE1 3.64Å; F157-F191 HydrophobicContact CG-CE1 3.64Å; F157-F191 HydrophobicContact CG-CZ 4.41Å; F157-V194 HydrophobicContact CE2-CG1 4.15Å; F157-K196 HydrophobicContact CD2-CB 4.09Å; F157-K196 HydrophobicContact CE2-CB 3.99Å; F157-K196 HydrophobicContact CE2-CG 4.38Å; F157-P197 PolarHBondContact N-O 3.1Å; F157-A198 HydrophobicContact CB-CB 4.39Å; F157-A198 CarbonylContact O-C 3.15Å; F157-A198 VanDerWaalsContact O-CA 3.25Å; F157-A198 WeakPolarHBondContact O-CA 3.19Å; F157-V199 PolarHBondContact O-N 3.22Å |
| 158 | I | 94.9 | Very high | 75.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 115.7 | 167.8 | -61.7 | -178.9 | 0 | 0 | 0 | 108 | I17 G18 V19 I20 F30 I160 V199 V201 F244 L247 | I17-I158 HydrophobicContact CG2-CD1 3.99Å; I17-I158 HydrophobicContact CG2-CG1 3.94Å; G18-I158 PolarHBondContact O-N 2.94Å; V19-I158 WeakPolarHBondContact CA-O 3.34Å; V19-I158 HydrophobicContact CG2-CB 4.37Å; I20-I158 PolarHBondContact N-O 3.34Å; F30-I158 HydrophobicContact CE1-CD1 3.96Å; F30-I158 HydrophobicContact CE1-CG2 3.99Å; F30-I158 HydrophobicContact CZ-CD1 4.14Å; F30-I158 HydrophobicContact CZ-CG2 4.14Å; I158-I160 HydrophobicContact CG2-CD1 3.93Å; I158-I160 HydrophobicContact CG2-CG1 4.46Å; I158-V199 WeakPolarHBondContact CA-O 3.38Å; I158-V201 HydrophobicContact CG2-CB 3.92Å; I158-V201 HydrophobicContact CG2-CG2 3.52Å; I158-F244 HydrophobicContact CD1-CD1 3.69Å; I158-F244 HydrophobicContact CD1-CD2 4.35Å; I158-F244 HydrophobicContact CD1-CE1 3.52Å; I158-F244 HydrophobicContact CD1-CE2 4.22Å; I158-F244 HydrophobicContact CD1-CG 4.11Å; I158-F244 HydrophobicContact CD1-CZ 3.83Å; I158-L247 HydrophobicContact CD1-CD2 4.28Å; I158-L247 HydrophobicContact CG1-CD2 3.7Å |
| 159 | L | 91.2 | Very high | 75.3 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 105.7 | 173.9 | 173.6 | 57.3 | 0 | 0 | 0 | 109.4 | I20 L184 S187 F191 V199 V200 V201 | I20-L159 HydrophobicContact CD1-CD1 4.22Å; I20-L159 HydrophobicContact CG1-CB 4.17Å; I20-L159 HydrophobicContact CG1-CD1 3.85Å; L159-L184 HydrophobicContact CD2-CD2 3.95Å; L159-S187 WeakPolarHBondContact CD2-OG 3.45Å; L159-F191 HydrophobicContact CB-CE2 3.89Å; L159-F191 HydrophobicContact CB-CZ 4.08Å; L159-F191 HydrophobicContact CD2-CE2 3.96Å; L159-V199 PolarHBondContact N-O 3.38Å; L159-V200 HydrophobicContact CD2-CG2 4.46Å; L159-V201 PolarHBondContact O-N 3.35Å |
| 160 | I | 90.9 | Very high | 74.5 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.8 | 174.9 | -55 | -71.5 | 0 | 0 | 0 | 109.4 | V19 I20 S25 K27 F30 I158 V201 | V19-I160 HydrophobicContact CG1-CD1 4Å; V19-I160 HydrophobicContact CG1-CG1 3.52Å; I20-I160 PolarHBondContact O-N 3.07Å; S25-I160 WeakPolarHBondContact O-CG2 3.39Å; K27-I160 HydrophobicContact CB-CG1 4.12Å; K27-I160 HydrophobicContact CG-CB 3.99Å; K27-I160 HydrophobicContact CG-CG1 4.1Å; K27-I160 HydrophobicContact CG-CG2 4.17Å; F30-I160 HydrophobicContact CB-CD1 4.04Å; F30-I160 HydrophobicContact CD1-CD1 3.53Å; F30-I160 HydrophobicContact CD2-CD1 3.95Å; F30-I160 HydrophobicContact CE1-CD1 3.86Å; F30-I160 HydrophobicContact CE2-CD1 4.29Å; F30-I160 HydrophobicContact CG-CD1 3.57Å; F30-I160 HydrophobicContact CZ-CD1 4.25Å; I158-I160 HydrophobicContact CG2-CD1 3.93Å; I158-I160 HydrophobicContact CG2-CG1 4.46Å; I160-V201 CarbonylContact C-O 3.6Å; I160-V201 WeakPolarHBondContact CA-O 3.48Å; I160-V201 HydrophobicContact CD1-CB 3.97Å; I160-V201 HydrophobicContact CD1-CG1 3.76Å |
| 161 | F | 85.6 | Confident | 73.1 | Confident | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.3 | 175 | -171.6 | -108 | 0 | 0 | 0 | 111.1 | C166 N180 L184 V201 L202 S203 L215 | F161-C166 VanDerWaalsContact CE1-SG 3.57Å; F161-C166 VanDerWaalsContact CZ-SG 3.57Å; F161-N180 HydrophobicContact CE2-CB 4.04Å; F161-N180 HydrophobicContact CZ-CB 4.39Å; F161-L184 HydrophobicContact CD1-CD1 4.35Å; F161-L184 HydrophobicContact CD2-CD1 3.45Å; F161-L184 VanDerWaalsContact CD2-CD1 3.45Å; F161-L184 HydrophobicContact CD2-CD2 4.16Å; F161-L184 HydrophobicContact CD2-CG 3.86Å; F161-L184 HydrophobicContact CE1-CD1 4.14Å; F161-L184 HydrophobicContact CE2-CD1 3.2Å; F161-L184 HydrophobicContact CE2-CG 3.97Å; F161-L184 HydrophobicContact CG-CD1 4.03Å; F161-L184 HydrophobicContact CG-CD2 4.47Å; F161-L184 HydrophobicContact CZ-CD1 3.57Å; F161-V201 PolarHBondContact N-O 3.35Å; F161-L202 HydrophobicContact CB-CD2 4.37Å; F161-L202 HydrophobicContact CD1-CD2 3.9Å; F161-S203 WeakPolarHBondContact O-CB 3.21Å; F161-S203 PolarHBondContact O-N 2.92Å; F161-S203 PolarHBondContact O-OG 2.96Å; F161-L215 HydrophobicContact CD1-CD1 4.23Å; F161-L215 HydrophobicContact CE1-CD1 3.89Å |
| 162 | D | 85.2 | Confident | 71.3 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 108.7 | -172.6 | -173.2 | -18.6 | 0 | 0 | 0 | 111.2 | T164 T165 K204 | D162-T164 VanDerWaalsContact C-N 3.27Å; D162-T164 PolarHBondContact O-N 3.42Å; D162-T164 WeakPolarHBondContact OD1-CB 3.15Å; D162-T164 PolarHBondContact OD1-N 2.77Å; D162-T164 PolarHBondContact OD1-OG1 3.46Å; D162-T164 PolarHBondContact OD2-OG1 2.82Å; D162-T165 HydrophobicContact CB-CG2 4.16Å; D162-T165 PolarHBondContact O-N 3.35Å; D162-T165 PolarHBondContact O-OG1 2.88Å; D162-K204 WeakPolarHBondContact OD2-CD 3.4Å; D162-K204 WeakPolarHBondContact OD2-CE 3.41Å; D162-K204 IonicContact OD2-NZ 2.75Å; D162-K204 PolarHBondContact OD2-NZ 3.35Å |
| 163 | I | 79.7 | Confident | 69.3 | Low | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -68.6 | -24.6 | -178.3 | -76.4 | 176.1 | 0 | 0 | 0 | 112.4 | T165 C166 T167 L202 S203 L205 C208 L215 | I163-T165 PolarHBondContact O-N 3.21Å; I163-C166 WeakPolarHBondContact O-CA 3.48Å; I163-C166 VanDerWaalsContact O-CB 3.31Å; I163-C166 WeakPolarHBondContact O-CB 3.2Å; I163-C166 PolarHBondContact O-N 3.1Å; I163-T167 PolarHBondContact O-OG1 3.22Å; I163-L202 HydrophobicContact CD1-CB 3.73Å; I163-L202 HydrophobicContact CD1-CD1 4.19Å; I163-L202 HydrophobicContact CD1-CD2 4.14Å; I163-L202 HydrophobicContact CD1-CG 4.23Å; I163-L202 HydrophobicContact CG1-CB 4.35Å; I163-L202 HydrophobicContact CG1-CD2 4.22Å; I163-S203 PolarHBondContact N-O 3.24Å; I163-L205 HydrophobicContact CD1-CD1 3.89Å; I163-L205 HydrophobicContact CD1-CD2 3.98Å; I163-L205 HydrophobicContact CD1-CG 3.78Å; I163-C208 HydrophobicContact CG2-CB 4Å; I163-C208 WeakPolarHBondContact CG2-SG 3.44Å; I163-L215 HydrophobicContact CD1-CD2 3.55Å; I163-L215 HydrophobicContact CG1-CD1 4.3Å; I163-L215 HydrophobicContact CG1-CD2 3.97Å |
| 164 | T | 72.8 | Confident | 67.2 | Low | 27 Ų | 27 | 42.7 Ų | 42.7 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -63.5 | -28.6 | -178 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | D162 C166 K204 N207 | D162-T164 VanDerWaalsContact C-N 3.27Å; D162-T164 PolarHBondContact O-N 3.42Å; D162-T164 WeakPolarHBondContact OD1-CB 3.15Å; D162-T164 PolarHBondContact OD1-N 2.77Å; D162-T164 PolarHBondContact OD1-OG1 3.46Å; D162-T164 PolarHBondContact OD2-OG1 2.82Å; T164-C166 PolarHBondContact O-N 2.93Å; T164-K204 HydrophobicContact CG2-CB 3.86Å; T164-K204 HydrophobicContact CG2-CD 4.32Å; T164-N207 HydrophobicContact CG2-CB 3.94Å |
| 165 | T | 60.5 | Low | 64.9 | Low | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -68.8 | -7.8 | 172.9 | 71.4 | 0 | 0 | 0 | 0 | 114.3 | D162 I163 N180 | D162-T165 HydrophobicContact CB-CG2 4.16Å; D162-T165 PolarHBondContact O-N 3.35Å; D162-T165 PolarHBondContact O-OG1 2.88Å; I163-T165 PolarHBondContact O-N 3.21Å; T165-N180 VanDerWaalsContact CB-ND2 3.34Å; T165-N180 WeakPolarHBondContact CB-ND2 3.26Å; T165-N180 PolarHBondContact OG1-ND2 2.83Å |
| 166 | C | 52.1 | Low | 62.8 | Low | 17 Ų | 17 | 44.2 Ų | 44.2 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -112.6 | 1.2 | -174.9 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | F161 I163 T164 Y177 | F161-C166 VanDerWaalsContact CE1-SG 3.57Å; F161-C166 VanDerWaalsContact CZ-SG 3.57Å; I163-C166 WeakPolarHBondContact O-CA 3.48Å; I163-C166 VanDerWaalsContact O-CB 3.31Å; I163-C166 WeakPolarHBondContact O-CB 3.2Å; I163-C166 PolarHBondContact O-N 3.1Å; T164-C166 PolarHBondContact O-N 2.93Å; C166-Y177 HydrophobicContact CB-CD2 4.08Å; C166-Y177 HydrophobicContact CB-CE2 3.86Å |
| 167 | T | 48.4 | Very low | 60.7 | Low | 26 Ų | 26 | 47.2 Ų | 47.2 | 16% | 0.16 | 27% | 0.267 | C | S | . | . | trans | -132.8 | 11.4 | -172 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | I163 N169 | I163-T167 PolarHBondContact O-OG1 3.22Å; T167-N169 PolarHBondContact O-N 3.38Å; T167-N169 PolarHBondContact O-ND2 3.43Å | ||
| 168 | S | 44.9 | Very low | 58.8 | Low | 44 Ų | 44 | 50.1 Ų | 50.1 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | trans | -62.1 | 118.5 | 169 | 44.4 | 0 | 0 | 0 | 0 | 110.3 | T170 | S168-T170 PolarHBondContact O-N 3.36Å; S168-T170 VanDerWaalsContact O-N 3.1Å | ||
| 169 | N | 37.9 | Very low | 56.9 | Low | 106 Ų | 106 | 51.7 Ų | 51.7 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | trans | -81.2 | 16.2 | -166.1 | -93.4 | -98.7 | 0 | 0 | 0 | 115.4 | T167 K212 | T167-N169 PolarHBondContact O-N 3.38Å; T167-N169 PolarHBondContact O-ND2 3.43Å; N169-K212 WeakPolarHBondContact OD1-CD 3.44Å; N169-K212 WeakPolarHBondContact OD1-CE 3.48Å; N169-K212 PolarHBondContact OD1-NZ 2.91Å | ||
| 170 | T | 38.9 | Very low | 55.4 | Low | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | trans | -74.2 | 136 | 175.9 | 29.3 | 0 | 0 | 0 | 0 | 111 | S168 C172 | S168-T170 PolarHBondContact O-N 3.36Å; S168-T170 VanDerWaalsContact O-N 3.1Å; T170-C172 PolarHBondContact O-N 3.01Å | ||
| 171 | H | 37.3 | Very low | 54.1 | Low | 203 Ų | 203 | 54.4 Ų | 54.4 | 94% | 0.94 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.9 | 23.9 | -171.9 | -140.5 | -65.9 | 0 | 0 | 0 | 114.4 | ||
| 172 | C | 36.3 | Very low | 53.2 | Low | 92 Ų | 92 | 56.7 Ų | 56.7 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -119.5 | 131.7 | 178 | -55.5 | 0 | 0 | 0 | 0 | 107.1 | T170 D174 | T170-C172 PolarHBondContact O-N 3.01Å; C172-D174 PolarHBondContact O-N 2.94Å |
| 173 | V | 39.2 | Very low | 52.3 | Low | 124 Ų | 124 | 56.7 Ų | 56.7 | 75% | 0.752 | 33% | 0.333 | S | S | * | . | trans | -69.3 | 103.7 | 171 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 174 | D | 43.9 | Very low | 51.9 | Low | 69 Ų | 69 | 56.8 Ų | 56.8 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | trans | -68.5 | 131.2 | -174.2 | -156.4 | 16.3 | 0 | 0 | 0 | 109.4 | C172 S176 Y177 | C172-D174 PolarHBondContact O-N 2.94Å; D174-S176 VanDerWaalsContact CG-OG 3.31Å; D174-S176 PolarHBondContact O-N 3.32Å; D174-S176 PolarHBondContact OD2-OG 2.92Å; D174-S176 VanDerWaalsContact OD2-OG 3.09Å; D174-Y177 WeakPolarHBondContact O-CB 3.19Å; D174-Y177 PolarHBondContact O-N 3.36Å | ||
| 175 | P | 43.6 | Very low | 51.9 | Low | 57 Ų | 57 | 59.4 Ų | 59.4 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.3 | -30.7 | -172.3 | -28.8 | 36.7 | 0 | 0 | 0 | 113.8 | Y177 S178 C179 | P175-Y177 VanDerWaalsContact C-N 3.32Å; P175-Y177 PolarHBondContact O-N 2.65Å; P175-S178 WeakPolarHBondContact CA-OG 3.46Å; P175-S178 PolarHBondContact O-N 2.68Å; P175-S178 PolarHBondContact O-OG 3.04Å; P175-C179 PolarHBondContact O-N 3.17Å |
| 176 | S | 48.3 | Very low | 52.6 | Low | 26 Ų | 26 | 59.4 Ų | 59.4 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -49.8 | -43.6 | 171.1 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | D174 C179 N180 | D174-S176 VanDerWaalsContact CG-OG 3.31Å; D174-S176 PolarHBondContact O-N 3.32Å; D174-S176 PolarHBondContact OD2-OG 2.92Å; D174-S176 VanDerWaalsContact OD2-OG 3.09Å; S176-C179 PolarHBondContact O-N 3.28Å; S176-N180 VanDerWaalsContact O-CB 3.29Å; S176-N180 WeakPolarHBondContact O-CB 3.16Å; S176-N180 PolarHBondContact O-N 3.36Å; S176-N180 PolarHBondContact O-OD1 2.85Å |
| 177 | Y | 50.5 | Low | 53.7 | Low | 62 Ų | 62 | 58.6 Ų | 58.6 | 24% | 0.243 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 179.4 | 179.4 | -100.9 | 0 | 0 | 0 | 111.7 | C166 D174 P175 N180 L181 | C166-Y177 HydrophobicContact CB-CD2 4.08Å; C166-Y177 HydrophobicContact CB-CE2 3.86Å; D174-Y177 WeakPolarHBondContact O-CB 3.19Å; D174-Y177 PolarHBondContact O-N 3.36Å; P175-Y177 VanDerWaalsContact C-N 3.32Å; P175-Y177 PolarHBondContact O-N 2.65Å; Y177-N180 PolarHBondContact O-N 3.41Å; Y177-L181 WeakPolarHBondContact O-CB 3.01Å; Y177-L181 PolarHBondContact O-N 3.49Å |
| 178 | S | 52.9 | Low | 54.9 | Low | 61 Ų | 61 | 58 Ų | 58 | 43% | 0.427 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 174.4 | 28.7 | 0 | 0 | 0 | 0 | 113 | P175 L181 A182 | P175-S178 WeakPolarHBondContact CA-OG 3.46Å; P175-S178 PolarHBondContact O-N 2.68Å; P175-S178 PolarHBondContact O-OG 3.04Å; S178-L181 WeakPolarHBondContact O-CB 3.46Å; S178-L181 PolarHBondContact O-N 2.87Å; S178-A182 PolarHBondContact O-N 2.84Å; S178-A182 VanDerWaalsContact O-N 3.09Å |
| 179 | C | 54.4 | Low | 56.5 | Low | 33 Ų | 33 | 60.1 Ų | 60.1 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -50.8 | 174.7 | -164.3 | 0 | 0 | 0 | 0 | 110.5 | P175 S176 L181 A182 V183 | P175-C179 PolarHBondContact O-N 3.17Å; S176-C179 PolarHBondContact O-N 3.28Å; C179-L181 PolarHBondContact O-N 2.61Å; C179-A182 PolarHBondContact O-N 3.24Å; C179-A182 VanDerWaalsContact O-N 3.13Å; C179-V183 WeakPolarHBondContact O-CB 3.37Å; C179-V183 VanDerWaalsContact O-CG2 3.26Å; C179-V183 WeakPolarHBondContact O-CG2 3.25Å; C179-V183 PolarHBondContact O-N 3.27Å |
| 180 | N | 60.5 | Low | 58.5 | Low | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.064 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -35.7 | 176.6 | -74.6 | -1 | 0 | 0 | 0 | 112.7 | L22 F161 T165 S176 Y177 L184 | L22-N180 HydrophobicContact CD1-CB 4.31Å; L22-N180 WeakPolarHBondContact CD1-OD1 3.47Å; L22-N180 VanDerWaalsContact CD2-OD1 3.25Å; L22-N180 WeakPolarHBondContact CD2-OD1 3.4Å; F161-N180 HydrophobicContact CE2-CB 4.04Å; F161-N180 HydrophobicContact CZ-CB 4.39Å; T165-N180 VanDerWaalsContact CB-ND2 3.34Å; T165-N180 WeakPolarHBondContact CB-ND2 3.26Å; T165-N180 PolarHBondContact OG1-ND2 2.83Å; S176-N180 VanDerWaalsContact O-CB 3.29Å; S176-N180 WeakPolarHBondContact O-CB 3.16Å; S176-N180 PolarHBondContact O-N 3.36Å; S176-N180 PolarHBondContact O-OD1 2.85Å; Y177-N180 PolarHBondContact O-N 3.41Å; N180-L184 PolarHBondContact O-N 3.12Å |
| 181 | L | 64.2 | Low | 60.3 | Low | 51 Ų | 51 | 52.4 Ų | 52.4 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 175.9 | -148.4 | 77.7 | 0 | 0 | 0 | 112.8 | Y177 S178 C179 V183 L184 Q185 F218 | Y177-L181 WeakPolarHBondContact O-CB 3.01Å; Y177-L181 PolarHBondContact O-N 3.49Å; S178-L181 WeakPolarHBondContact O-CB 3.46Å; S178-L181 PolarHBondContact O-N 2.87Å; C179-L181 PolarHBondContact O-N 2.61Å; L181-V183 VanDerWaalsContact C-N 3.33Å; L181-L184 WeakPolarHBondContact O-CB 3.46Å; L181-L184 PolarHBondContact O-N 3.4Å; L181-Q185 PolarHBondContact O-N 3.3Å; L181-F218 HydrophobicContact CD1-CD1 4.49Å; L181-F218 HydrophobicContact CD1-CD2 3.42Å; L181-F218 VanDerWaalsContact CD1-CD2 3.42Å; L181-F218 HydrophobicContact CD1-CE2 3.47Å; L181-F218 VanDerWaalsContact CD1-CE2 3.47Å; L181-F218 HydrophobicContact CD1-CG 3.95Å; L181-F218 HydrophobicContact CD1-CZ 4.06Å; L181-F218 HydrophobicContact CG-CD2 4.09Å; L181-F218 HydrophobicContact CG-CE2 3.76Å; L181-F218 HydrophobicContact CG-CZ 4.44Å |
| 182 | A | 66.8 | Low | 62.2 | Low | 56 Ų | 56 | 47 Ų | 47 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S178 C179 Q185 E186 | S178-A182 PolarHBondContact O-N 2.84Å; S178-A182 VanDerWaalsContact O-N 3.09Å; C179-A182 PolarHBondContact O-N 3.24Å; C179-A182 VanDerWaalsContact O-N 3.13Å; A182-Q185 PolarHBondContact O-N 3.26Å; A182-E186 PolarHBondContact O-N 3.23Å |
| 183 | V | 66.3 | Low | 64.2 | Low | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.6 | 164.6 | 0 | 0 | 0 | 0 | 112.1 | L22 F111 I115 C179 L181 S187 | L22-V183 HydrophobicContact CD1-CG1 4.19Å; L22-V183 HydrophobicContact CD2-CG1 4.45Å; L22-V183 HydrophobicContact CG-CG1 4.13Å; F111-V183 HydrophobicContact CD1-CG2 3.48Å; F111-V183 VanDerWaalsContact CD1-CG2 3.48Å; F111-V183 HydrophobicContact CE1-CB 4.04Å; F111-V183 HydrophobicContact CE1-CG1 3.55Å; F111-V183 HydrophobicContact CE1-CG2 3.24Å; F111-V183 HydrophobicContact CG-CG2 4.49Å; F111-V183 HydrophobicContact CZ-CG1 4.13Å; F111-V183 HydrophobicContact CZ-CG2 4.09Å; I115-V183 HydrophobicContact CD1-CG1 3.89Å; I115-V183 HydrophobicContact CG1-CG1 4.3Å; C179-V183 WeakPolarHBondContact O-CB 3.37Å; C179-V183 VanDerWaalsContact O-CG2 3.26Å; C179-V183 WeakPolarHBondContact O-CG2 3.25Å; C179-V183 PolarHBondContact O-N 3.27Å; L181-V183 VanDerWaalsContact C-N 3.33Å; V183-S187 WeakPolarHBondContact O-CB 3.39Å; V183-S187 PolarHBondContact O-N 3.46Å; V183-S187 PolarHBondContact O-OG 2.86Å |
| 184 | L | 70.3 | Confident | 66.1 | Low | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 172.1 | -90.4 | 158.9 | 0 | 0 | 0 | 111.8 | L159 F161 N180 L181 S187 L188 F218 F224 | L159-L184 HydrophobicContact CD2-CD2 3.95Å; F161-L184 HydrophobicContact CD1-CD1 4.35Å; F161-L184 HydrophobicContact CD2-CD1 3.45Å; F161-L184 VanDerWaalsContact CD2-CD1 3.45Å; F161-L184 HydrophobicContact CD2-CD2 4.16Å; F161-L184 HydrophobicContact CD2-CG 3.86Å; F161-L184 HydrophobicContact CE1-CD1 4.14Å; F161-L184 HydrophobicContact CE2-CD1 3.2Å; F161-L184 HydrophobicContact CE2-CG 3.97Å; F161-L184 HydrophobicContact CG-CD1 4.03Å; F161-L184 HydrophobicContact CG-CD2 4.47Å; F161-L184 HydrophobicContact CZ-CD1 3.57Å; N180-L184 PolarHBondContact O-N 3.12Å; L181-L184 WeakPolarHBondContact O-CB 3.46Å; L181-L184 PolarHBondContact O-N 3.4Å; L184-S187 WeakPolarHBondContact CA-OG 3.46Å; L184-S187 PolarHBondContact O-OG 3.45Å; L184-S187 VanDerWaalsContact O-OG 3.07Å; L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.26Å; L184-L188 PolarHBondContact O-N 2.89Å; L184-F218 HydrophobicContact CB-CE1 4.17Å; L184-F218 HydrophobicContact CB-CZ 3.84Å; L184-F218 HydrophobicContact CD1-CD1 4.43Å; L184-F218 HydrophobicContact CD1-CE1 3.61Å; L184-F218 HydrophobicContact CD1-CZ 3.99Å; L184-F218 HydrophobicContact CD2-CE1 4.39Å; L184-F218 HydrophobicContact CG-CE1 4.29Å; L184-F218 HydrophobicContact CG-CZ 4.45Å; L184-F224 HydrophobicContact CB-CZ 4.36Å; L184-F224 HydrophobicContact CD2-CE1 4.06Å; L184-F224 HydrophobicContact CD2-CZ 3.94Å |
| 185 | Q | 72.5 | Confident | 67.9 | Low | 83 Ų | 83 | 53.5 Ų | 53.5 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 179 | -74.4 | -174.2 | -18.5 | 0 | 0 | 112.8 | L181 A182 L188 K189 | L181-Q185 PolarHBondContact O-N 3.3Å; A182-Q185 PolarHBondContact O-N 3.26Å; Q185-L188 PolarHBondContact O-N 2.83Å; Q185-K189 WeakPolarHBondContact O-CG 3.3Å; Q185-K189 PolarHBondContact O-N 3.34Å |
| 186 | E | 76.1 | Confident | 70 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.8 | -35.2 | 179.9 | -157.6 | 64.2 | -141.1 | 0 | 0 | 112.5 | L112 A182 L188 K189 C190 | L112-E186 HydrophobicContact CD2-CB 4.01Å; L112-E186 HydrophobicContact CD2-CG 3.82Å; A182-E186 PolarHBondContact O-N 3.23Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-L188 PolarHBondContact O-N 3.07Å; E186-K189 PolarHBondContact O-N 2.85Å; E186-K189 WeakPolarHBondContact OE2-CD 3.37Å; E186-K189 WeakPolarHBondContact OE2-CE 3.15Å; E186-K189 IonicContact OE2-NZ 2.73Å; E186-K189 PolarHBondContact OE2-NZ 2.94Å; E186-C190 WeakPolarHBondContact O-CB 3.43Å; E186-C190 PolarHBondContact O-N 3.27Å; E186-C190 PolarHBondContact O-SG 2.66Å |
| 187 | S | 74.6 | Confident | 72 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 171.7 | 53 | 0 | 0 | 0 | 0 | 112.1 | L159 V183 L184 C190 F191 | L159-S187 WeakPolarHBondContact CD2-OG 3.45Å; V183-S187 WeakPolarHBondContact O-CB 3.39Å; V183-S187 PolarHBondContact O-N 3.46Å; V183-S187 PolarHBondContact O-OG 2.86Å; L184-S187 WeakPolarHBondContact CA-OG 3.46Å; L184-S187 PolarHBondContact O-OG 3.45Å; L184-S187 VanDerWaalsContact O-OG 3.07Å; S187-C190 PolarHBondContact O-N 2.94Å; S187-F191 WeakPolarHBondContact O-CD2 3.38Å; S187-F191 WeakPolarHBondContact O-CG 3.47Å; S187-F191 PolarHBondContact O-N 3.45Å |
| 188 | L | 74.4 | Confident | 73.8 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 169 | -76.7 | -150.6 | 0 | 0 | 0 | 113.1 | L184 Q185 E186 C190 F191 S192 E223 F224 I227 | L184-L188 WeakPolarHBondContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.26Å; L184-L188 PolarHBondContact O-N 2.89Å; Q185-L188 PolarHBondContact O-N 2.83Å; E186-L188 VanDerWaalsContact C-N 3.35Å; E186-L188 PolarHBondContact O-N 3.07Å; L188-C190 PolarHBondContact O-N 2.72Å; L188-F191 HydrophobicContact CD2-CD2 4.09Å; L188-F191 PolarHBondContact O-N 3.21Å; L188-S192 PolarHBondContact O-N 3.04Å; L188-E223 HydrophobicContact CD1-CB 3.9Å; L188-F224 HydrophobicContact CD1-CD1 4.16Å; L188-F224 HydrophobicContact CD1-CD2 3.75Å; L188-F224 HydrophobicContact CD1-CE1 3.83Å; L188-F224 HydrophobicContact CD1-CE2 3.37Å; L188-F224 HydrophobicContact CD1-CG 4.12Å; L188-F224 HydrophobicContact CD1-CZ 3.4Å; L188-F224 VanDerWaalsContact CD1-CZ 3.4Å; L188-F224 HydrophobicContact CD2-CE1 4.24Å; L188-F224 HydrophobicContact CD2-CZ 4.33Å; L188-F224 HydrophobicContact CG-CE1 4.19Å; L188-F224 HydrophobicContact CG-CE2 4.2Å; L188-F224 HydrophobicContact CG-CZ 3.78Å; L188-I227 HydrophobicContact CD1-CD1 4.48Å; L188-I227 HydrophobicContact CD2-CD1 3.57Å |
| 189 | K | 77.9 | Confident | 75.7 | Confident | 89 Ų | 89 | 47.9 Ų | 47.9 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.4 | -41.5 | 174.5 | -72.9 | 179.5 | -139.1 | 158.2 | 0 | 110.8 | Q185 E186 S192 R193 | Q185-K189 WeakPolarHBondContact O-CG 3.3Å; Q185-K189 PolarHBondContact O-N 3.34Å; E186-K189 PolarHBondContact O-N 2.85Å; E186-K189 WeakPolarHBondContact OE2-CD 3.37Å; E186-K189 WeakPolarHBondContact OE2-CE 3.15Å; E186-K189 IonicContact OE2-NZ 2.73Å; E186-K189 PolarHBondContact OE2-NZ 2.94Å; K189-S192 WeakPolarHBondContact O-CB 3.39Å; K189-S192 PolarHBondContact O-N 3.45Å; K189-S192 PolarHBondContact O-OG 3.29Å; K189-R193 PolarHBondContact O-N 2.9Å |
| 190 | C | 78.9 | Confident | 77.3 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -49.4 | 176.4 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | H116 I119 E186 S187 L188 S192 R193 V194 | H116-C190 PolarHBondContact CD2-SG 2.99Å; I119-C190 HydrophobicContact CD1-CB 3.51Å; I119-C190 HydrophobicContact CG2-CB 4.03Å; E186-C190 WeakPolarHBondContact O-CB 3.43Å; E186-C190 PolarHBondContact O-N 3.27Å; E186-C190 PolarHBondContact O-SG 2.66Å; S187-C190 PolarHBondContact O-N 2.94Å; L188-C190 PolarHBondContact O-N 2.72Å; C190-S192 PolarHBondContact O-N 3.5Å; C190-R193 WeakPolarHBondContact O-CA 3.47Å; C190-R193 VanDerWaalsContact O-CB 3.3Å; C190-R193 WeakPolarHBondContact O-CB 3.47Å; C190-R193 PolarHBondContact O-N 3.43Å; C190-V194 WeakPolarHBondContact O-CG2 3.48Å; C190-V194 PolarHBondContact O-N 3.11Å |
| 191 | F | 78.2 | Confident | 78.8 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.3 | -36.8 | 174.5 | -71 | -39.3 | 0 | 0 | 0 | 113.3 | I20 I119 F157 L159 S187 L188 R193 V194 R195 A198 | I20-F191 HydrophobicContact CD1-CE1 3.79Å; I20-F191 HydrophobicContact CD1-CE2 4.3Å; I20-F191 HydrophobicContact CD1-CZ 3.39Å; I20-F191 HydrophobicContact CG1-CZ 4.13Å; I119-F191 HydrophobicContact CD1-CE1 4.4Å; I119-F191 HydrophobicContact CG1-CE1 4.28Å; I119-F191 HydrophobicContact CG2-CD1 4.25Å; F157-F191 HydrophobicContact CB-CD1 4.42Å; F157-F191 HydrophobicContact CB-CE1 3.45Å; F157-F191 VanDerWaalsContact CB-CE1 3.45Å; F157-F191 HydrophobicContact CB-CZ 3.78Å; F157-F191 HydrophobicContact CD1-CE1 4.14Å; F157-F191 HydrophobicContact CD2-CD1 4.46Å; F157-F191 HydrophobicContact CD2-CE1 4.07Å; F157-F191 HydrophobicContact CG-CD1 4.45Å; F157-F191 AromaticContact CG-CE1 3.64Å; F157-F191 HydrophobicContact CG-CE1 3.64Å; F157-F191 HydrophobicContact CG-CZ 4.41Å; L159-F191 HydrophobicContact CB-CE2 3.89Å; L159-F191 HydrophobicContact CB-CZ 4.08Å; L159-F191 HydrophobicContact CD2-CE2 3.96Å; S187-F191 WeakPolarHBondContact O-CD2 3.38Å; S187-F191 WeakPolarHBondContact O-CG 3.47Å; S187-F191 PolarHBondContact O-N 3.45Å; L188-F191 HydrophobicContact CD2-CD2 4.09Å; L188-F191 PolarHBondContact O-N 3.21Å; F191-R193 PolarHBondContact O-N 3.21Å; F191-V194 PolarHBondContact O-N 3.3Å; F191-R195 PolarHBondContact O-N 2.66Å; F191-A198 HydrophobicContact CD1-CB 4.32Å; F191-A198 HydrophobicContact CD2-CB 4.03Å; F191-A198 HydrophobicContact CE1-CB 4.3Å; F191-A198 HydrophobicContact CE2-CB 3.98Å; F191-A198 HydrophobicContact CG-CB 4.19Å; F191-A198 HydrophobicContact CZ-CB 4.11Å |
| 192 | S | 76.2 | Confident | 80.1 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 63% | 0.629 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.5 | -25.8 | 175.7 | 85.4 | 0 | 0 | 0 | 0 | 113.7 | L188 K189 C190 | L188-S192 PolarHBondContact O-N 3.04Å; K189-S192 WeakPolarHBondContact O-CB 3.39Å; K189-S192 PolarHBondContact O-N 3.45Å; K189-S192 PolarHBondContact O-OG 3.29Å; C190-S192 PolarHBondContact O-N 3.5Å |
| 193 | R | 79 | Confident | 81.3 | Confident | 165 Ų | 165 | 41.2 Ų | 41.2 | 62% | 0.623 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -79.9 | -42.5 | 173.2 | -58.8 | 173.9 | 178.5 | 143.8 | 1.6 | 111.8 | K189 C190 F191 | K189-R193 PolarHBondContact O-N 2.9Å; C190-R193 WeakPolarHBondContact O-CA 3.47Å; C190-R193 VanDerWaalsContact O-CB 3.3Å; C190-R193 WeakPolarHBondContact O-CB 3.47Å; C190-R193 PolarHBondContact O-N 3.43Å; F191-R193 PolarHBondContact O-N 3.21Å |
| 194 | V | 78.6 | Confident | 82.4 | Confident | 29 Ų | 29 | 43 Ų | 43 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | -174.8 | -161 | 0 | 0 | 0 | 0 | 113.3 | I119 I121 F157 C190 F191 K196 | I119-V194 HydrophobicContact CG2-CG2 3.26Å; I121-V194 HydrophobicContact CD1-CG1 3.48Å; I121-V194 VanDerWaalsContact CD1-CG1 3.48Å; I121-V194 HydrophobicContact CG1-CG1 3.56Å; F157-V194 HydrophobicContact CE2-CG1 4.15Å; C190-V194 WeakPolarHBondContact O-CG2 3.48Å; C190-V194 PolarHBondContact O-N 3.11Å; F191-V194 PolarHBondContact O-N 3.3Å; V194-K196 HydrophobicContact CG1-CB 3.97Å; V194-K196 HydrophobicContact CG1-CG 3.7Å; V194-K196 PolarHBondContact O-N 2.99Å |
| 195 | R | 81.6 | Confident | 83.3 | Confident | 226 Ų | 226 | 43.3 Ų | 43.3 | 85% | 0.853 | 20% | 0.202 | S | C | * | . | trans | 62.2 | 0.8 | -174.3 | -52 | 176.8 | 177.4 | 178.2 | -0.8 | 116.2 | F191 | F191-R195 PolarHBondContact O-N 2.66Š| ||
| 196 | K | 88.6 | Confident | 84 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 18% | 0.183 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -68.2 | 144.2 | 165.7 | -66.1 | -90.4 | 177.6 | 152.4 | 0 | 109.2 | I121 E153 V154 D155 F157 V194 | I121-K196 HydrophobicContact CD1-CG 4.47Å; I121-K196 HydrophobicContact CG2-CD 4.3Å; I121-K196 HydrophobicContact CG2-CG 4.33Å; E153-K196 IonicContact OE1-NZ 2.98Å; E153-K196 PolarHBondContact OE1-NZ 2.79Å; V154-K196 VanDerWaalsContact O-CD 3.32Å; V154-K196 WeakPolarHBondContact O-CD 3.48Å; V154-K196 VanDerWaalsContact O-CE 3.28Å; V154-K196 WeakPolarHBondContact O-CE 3.32Å; V154-K196 PolarHBondContact O-NZ 2.66Å; D155-K196 VanDerWaalsContact O-CD 3.25Å; D155-K196 WeakPolarHBondContact O-CD 3.14Å; D155-K196 IonicContact OD1-NZ 3.21Å; F157-K196 HydrophobicContact CD2-CB 4.09Å; F157-K196 HydrophobicContact CE2-CB 3.99Å; F157-K196 HydrophobicContact CE2-CG 4.38Å; V194-K196 HydrophobicContact CG1-CB 3.97Å; V194-K196 HydrophobicContact CG1-CG 3.7Å; V194-K196 PolarHBondContact O-N 2.99Å |
| 197 | P | 89.4 | Confident | 84.2 | Confident | 37 Ų | 37 | 44.6 Ų | 44.6 | 24% | 0.24 | 21% | 0.212 | C | C | . | . | trans | -64.3 | 147.8 | 178.8 | 25.8 | -33.5 | 0 | 0 | 0 | 111.6 | D155 G156 F157 L247 L250 M251 | D155-P197 WeakPolarHBondContact O-CD 3.37Å; G156-P197 VanDerWaalsContact CA-O 3.3Å; G156-P197 WeakPolarHBondContact CA-O 3.41Å; F157-P197 PolarHBondContact N-O 3.1Å; P197-L247 HydrophobicContact CB-CD1 4Å; P197-L247 HydrophobicContact CG-CD1 4.16Å; P197-L250 HydrophobicContact CB-CB 3.96Å; P197-L250 HydrophobicContact CB-CD1 4.3Å; P197-M251 HydrophobicContact CG-CB 4.44Å; P197-M251 HydrophobicContact CG-CG 3.45Å; P197-M251 VanDerWaalsContact CG-CG 3.45Å | ||
| 198 | A | 89.4 | Confident | 84 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F157 F191 L250 | F157-A198 HydrophobicContact CB-CB 4.39Å; F157-A198 CarbonylContact O-C 3.15Å; F157-A198 VanDerWaalsContact O-CA 3.25Å; F157-A198 WeakPolarHBondContact O-CA 3.19Å; F191-A198 HydrophobicContact CD1-CB 4.32Å; F191-A198 HydrophobicContact CD2-CB 4.03Å; F191-A198 HydrophobicContact CE1-CB 4.3Å; F191-A198 HydrophobicContact CE2-CB 3.98Å; F191-A198 HydrophobicContact CG-CB 4.19Å; F191-A198 HydrophobicContact CZ-CB 4.11Å; A198-L250 WeakPolarHBondContact O-CD1 3.37Å |
| 199 | V | 91 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.8 | 169 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | F157 I158 L159 V201 P228 I230 T246 L247 L250 | F157-V199 PolarHBondContact O-N 3.22Å; I158-V199 WeakPolarHBondContact CA-O 3.38Å; L159-V199 PolarHBondContact N-O 3.38Å; V199-V201 HydrophobicContact CG1-CG2 4.18Å; V199-P228 HydrophobicContact CG1-CB 4.43Å; V199-P228 HydrophobicContact CG2-CB 4.47Å; V199-P228 HydrophobicContact CG2-CG 4.41Å; V199-I230 HydrophobicContact CG1-CD1 4.12Å; V199-I230 HydrophobicContact CG1-CG1 4.42Å; V199-T246 HydrophobicContact CG2-CG2 3.91Å; V199-L247 HydrophobicContact CG2-CB 3.86Å; V199-L247 HydrophobicContact CG2-CD1 4.28Å; V199-L250 HydrophobicContact CG2-CD1 3.92Å |
| 200 | V | 89.7 | Confident | 82.6 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.3 | 168.9 | 175.8 | 0 | 0 | 0 | 0 | 108 | L159 F224 I227 P228 V229 I230 | L159-V200 HydrophobicContact CD2-CG2 4.46Å; V200-F224 HydrophobicContact CG2-CD1 4.24Å; V200-F224 HydrophobicContact CG2-CE1 4.05Å; V200-I227 HydrophobicContact CG2-CG2 3.94Å; V200-P228 PolarHBondContact N-O 3.08Å; V200-V229 HydrophobicContact CB-CG2 4.28Å; V200-V229 HydrophobicContact CG1-CG1 4.46Å; V200-V229 CarbonylContact O-C 3.38Å; V200-V229 VanDerWaalsContact O-CA 3.32Å; V200-V229 WeakPolarHBondContact O-CA 3.32Å; V200-I230 PolarHBondContact O-N 2.83Å |
| 201 | V | 92.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117 | 176.2 | 164.2 | 0 | 0 | 0 | 0 | 108.7 | F30 I158 L159 I160 F161 V199 I230 T232 A243 | F30-V201 HydrophobicContact CD2-CG1 4.05Å; F30-V201 HydrophobicContact CE2-CG1 3.69Å; F30-V201 HydrophobicContact CE2-CG2 4.22Å; F30-V201 HydrophobicContact CZ-CG1 4.26Å; F30-V201 HydrophobicContact CZ-CG2 4.09Å; I158-V201 HydrophobicContact CG2-CB 3.92Å; I158-V201 HydrophobicContact CG2-CG2 3.52Å; L159-V201 PolarHBondContact O-N 3.35Å; I160-V201 CarbonylContact C-O 3.6Å; I160-V201 WeakPolarHBondContact CA-O 3.48Å; I160-V201 HydrophobicContact CD1-CB 3.97Å; I160-V201 HydrophobicContact CD1-CG1 3.76Å; F161-V201 PolarHBondContact N-O 3.35Å; V199-V201 HydrophobicContact CG1-CG2 4.18Å; V201-I230 WeakPolarHBondContact CA-O 3.49Å; V201-T232 HydrophobicContact CG1-CG2 3.85Å; V201-T232 VanDerWaalsContact CG1-OG1 3.3Å; V201-T232 WeakPolarHBondContact CG1-OG1 3.41Å; V201-A243 HydrophobicContact CG2-CB 3.59Å |
| 202 | L | 91 | Very high | 79.9 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 132.5 | 168.3 | -58.5 | 168.3 | 0 | 0 | 0 | 107.9 | F161 I163 L205 L215 L219 V229 I230 E231 T232 | F161-L202 HydrophobicContact CB-CD2 4.37Å; F161-L202 HydrophobicContact CD1-CD2 3.9Å; I163-L202 HydrophobicContact CD1-CB 3.73Å; I163-L202 HydrophobicContact CD1-CD1 4.19Å; I163-L202 HydrophobicContact CD1-CD2 4.14Å; I163-L202 HydrophobicContact CD1-CG 4.23Å; I163-L202 HydrophobicContact CG1-CB 4.35Å; I163-L202 HydrophobicContact CG1-CD2 4.22Å; L202-L205 HydrophobicContact CB-CD1 4.03Å; L202-L215 HydrophobicContact CD1-CD2 3.83Å; L202-L215 HydrophobicContact CD2-CD1 4.06Å; L202-L215 HydrophobicContact CD2-CD2 4.04Å; L202-L219 HydrophobicContact CD1-CD1 4.21Å; L202-V229 HydrophobicContact CD1-CG1 3.46Å; L202-V229 VanDerWaalsContact CD1-CG1 3.46Å; L202-V229 HydrophobicContact CD2-CG1 4.48Å; L202-V229 HydrophobicContact CG-CG1 3.79Å; L202-I230 PolarHBondContact N-O 3.21Å; L202-E231 HydrophobicContact CD1-CG 3.78Å; L202-T232 PolarHBondContact O-N 3.06Å; L202-T232 PolarHBondContact O-OG1 3.29Å |
| 203 | S | 91.3 | Very high | 78.8 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 164.7 | -170.3 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | S25 F161 I163 L205 | S25-S203 PolarHBondContact O-OG 3Å; F161-S203 WeakPolarHBondContact O-CB 3.21Å; F161-S203 PolarHBondContact O-N 2.92Å; F161-S203 PolarHBondContact O-OG 2.96Å; I163-S203 PolarHBondContact N-O 3.24Å; S203-L205 VanDerWaalsContact C-N 3.28Å; S203-L205 PolarHBondContact O-N 3.07Å |
| 204 | K | 90.2 | Very high | 77.5 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | trans | 58.9 | 28.8 | -178.8 | -53.2 | -172.7 | -168.7 | 166.2 | 0 | 114.8 | G24 D162 T164 D206 N207 | G24-K204 PolarHBondContact O-NZ 2.94Å; D162-K204 WeakPolarHBondContact OD2-CD 3.4Å; D162-K204 WeakPolarHBondContact OD2-CE 3.41Å; D162-K204 IonicContact OD2-NZ 2.75Å; D162-K204 PolarHBondContact OD2-NZ 3.35Å; T164-K204 HydrophobicContact CG2-CB 3.86Å; T164-K204 HydrophobicContact CG2-CD 4.32Å; K204-D206 WeakPolarHBondContact CA-OD1 3.41Å; K204-D206 PolarHBondContact O-N 2.9Å; K204-N207 PolarHBondContact O-N 3.15Å | ||
| 205 | L | 88.8 | Confident | 76.6 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63.3 | -20.2 | 177.4 | -76.3 | 100.3 | 0 | 0 | 0 | 113.5 | I163 L202 S203 N207 C208 F210 E231 T232 Y265 | I163-L205 HydrophobicContact CD1-CD1 3.89Å; I163-L205 HydrophobicContact CD1-CD2 3.98Å; I163-L205 HydrophobicContact CD1-CG 3.78Å; L202-L205 HydrophobicContact CB-CD1 4.03Å; S203-L205 VanDerWaalsContact C-N 3.28Å; S203-L205 PolarHBondContact O-N 3.07Å; L205-N207 PolarHBondContact O-N 2.7Å; L205-C208 PolarHBondContact O-N 3.5Å; L205-C208 VanDerWaalsContact O-N 3.13Å; L205-F210 HydrophobicContact CD2-CE1 4.09Å; L205-F210 HydrophobicContact CD2-CZ 4.16Å; L205-E231 HydrophobicContact CD1-CB 4.09Å; L205-E231 HydrophobicContact CD2-CB 4Å; L205-E231 HydrophobicContact CD2-CG 4.21Å; L205-T232 VanDerWaalsContact CD1-O 3.27Å; L205-T232 WeakPolarHBondContact CD1-O 3.15Å; L205-Y265 HydrophobicContact CB-CD1 4.42Å; L205-Y265 HydrophobicContact CB-CD2 3.57Å; L205-Y265 HydrophobicContact CB-CE1 4.42Å; L205-Y265 HydrophobicContact CB-CE2 3.55Å; L205-Y265 HydrophobicContact CB-CG 4.01Å; L205-Y265 HydrophobicContact CD1-CD2 4.2Å; L205-Y265 HydrophobicContact CD2-CD2 4.05Å; L205-Y265 HydrophobicContact CD2-CG 4.05Å; L205-Y265 HydrophobicContact CG-CD2 4.15Å |
| 206 | D | 87.8 | Confident | 75.6 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -57.5 | -23.2 | 169.7 | 48.9 | -71.3 | 0 | 0 | 0 | 113.8 | K204 S233 H235 E236 | K204-D206 WeakPolarHBondContact CA-OD1 3.41Å; K204-D206 PolarHBondContact O-N 2.9Å; D206-S233 WeakPolarHBondContact OD1-CB 3.47Å; D206-S233 PolarHBondContact OD1-OG 3.35Å; D206-H235 IonicContact OD2-CD2 2.75Å; D206-H235 PolarHBondContact OD2-CD2 2.83Å; D206-H235 VanDerWaalsContact OD2-CD2 3.29Å; D206-H235 IonicContact OD2-CG 2.79Å; D206-E236 HydrophobicContact CB-CG 4.03Å |
| 207 | N | 79.4 | Confident | 74 | Confident | 100 Ų | 100 | 49 Ų | 49 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -105.1 | 18.9 | 178 | -59 | -70.8 | 0 | 0 | 0 | 113.1 | T164 K204 L205 | T164-N207 HydrophobicContact CG2-CB 3.94Å; K204-N207 PolarHBondContact O-N 3.15Å; L205-N207 PolarHBondContact O-N 2.7Å |
| 208 | C | 71.4 | Confident | 72.5 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 10% | 0.101 | 26% | 0.264 | C | S | . | . | trans | -124.5 | 120.5 | -170.5 | -169.2 | 0 | 0 | 0 | 0 | 114.3 | I163 L205 F210 | I163-C208 HydrophobicContact CG2-CB 4Å; I163-C208 WeakPolarHBondContact CG2-SG 3.44Å; L205-C208 PolarHBondContact O-N 3.5Å; L205-C208 VanDerWaalsContact O-N 3.13Å; C208-F210 PolarHBondContact O-N 3.31Å; C208-F210 VanDerWaalsContact O-N 3.16Å | ||
| 209 | D | 64.9 | Low | 71.3 | Confident | 97 Ų | 97 | 49.9 Ų | 49.9 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | trans | -67 | 108.5 | 166.8 | -75.6 | -38.9 | 0 | 0 | 0 | 111.1 | S211 K212 | D209-S211 PolarHBondContact O-N 3.44Å; D209-K212 PolarHBondContact O-N 3.05Å | ||
| 210 | F | 58 | Low | 69.9 | Low | 120 Ų | 120 | 55.4 Ų | 55.4 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -11.1 | 178.2 | -75.4 | -85.8 | 0 | 0 | 0 | 115.8 | L205 C208 K212 Y265 | L205-F210 HydrophobicContact CD2-CE1 4.09Å; L205-F210 HydrophobicContact CD2-CZ 4.16Å; C208-F210 PolarHBondContact O-N 3.31Å; C208-F210 VanDerWaalsContact O-N 3.16Å; F210-K212 PolarHBondContact O-N 3.33Å; F210-Y265 HydrophobicContact CE2-CD1 4.25Å; F210-Y265 AromaticContact CZ-CD1 3.59Å; F210-Y265 HydrophobicContact CZ-CD1 3.59Å; F210-Y265 HydrophobicContact CZ-CE1 4.4Å; F210-Y265 HydrophobicContact CZ-CG 4.01Å |
| 211 | S | 52.6 | Low | 68.7 | Low | 101 Ų | 101 | 57.2 Ų | 57.2 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8 | -175.3 | 57.6 | 0 | 0 | 0 | 0 | 115.3 | D209 | D209-S211 PolarHBondContact O-N 3.44Š|
| 212 | K | 48 | Very low | 67.1 | Low | 114 Ų | 114 | 63 Ų | 63 | 50% | 0.496 | 34% | 0.339 | S | S | . | . | trans | -137.9 | 5.1 | -163.6 | -65.9 | -178.2 | -177.6 | 174.1 | 0 | 118.1 | N169 D209 F210 G214 | N169-K212 WeakPolarHBondContact OD1-CD 3.44Å; N169-K212 WeakPolarHBondContact OD1-CE 3.48Å; N169-K212 PolarHBondContact OD1-NZ 2.91Å; D209-K212 PolarHBondContact O-N 3.05Å; F210-K212 PolarHBondContact O-N 3.33Å; K212-G214 PolarHBondContact O-N 3.48Å | ||
| 213 | S | 53.1 | Low | 65.8 | Low | 42 Ų | 42 | 67.7 Ų | 67.7 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | trans | -75.6 | 106.8 | -171.7 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | L215 D216 | S213-L215 PolarHBondContact O-N 3.13Å; S213-D216 PolarHBondContact O-N 2.82Å | ||
| 214 | G | 51.6 | Low | 64.5 | Low | 31 Ų | 31 | 67.5 Ų | 67.5 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K212 D216 I217 | K212-G214 PolarHBondContact O-N 3.48Å; G214-D216 PolarHBondContact O-N 3.11Å; G214-D216 VanDerWaalsContact O-N 3.09Å; G214-I217 WeakPolarHBondContact O-CB 3.5Å; G214-I217 PolarHBondContact O-N 3.11Å |
| 215 | L | 59.4 | Low | 63.4 | Low | 14 Ų | 14 | 71.3 Ų | 71.3 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -41.7 | -38.6 | 169 | -162.8 | 80.3 | 0 | 0 | 0 | 113.8 | F161 I163 L202 S213 I217 F218 L219 | F161-L215 HydrophobicContact CD1-CD1 4.23Å; F161-L215 HydrophobicContact CE1-CD1 3.89Å; I163-L215 HydrophobicContact CD1-CD2 3.55Å; I163-L215 HydrophobicContact CG1-CD1 4.3Å; I163-L215 HydrophobicContact CG1-CD2 3.97Å; L202-L215 HydrophobicContact CD1-CD2 3.83Å; L202-L215 HydrophobicContact CD2-CD1 4.06Å; L202-L215 HydrophobicContact CD2-CD2 4.04Å; S213-L215 PolarHBondContact O-N 3.13Å; L215-I217 PolarHBondContact O-N 3.39Å; L215-F218 PolarHBondContact O-N 2.7Å; L215-L219 HydrophobicContact CD2-CD1 3.92Å; L215-L219 HydrophobicContact CG-CD1 3.91Å; L215-L219 HydrophobicContact CG-CG 4.11Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 3.15Å |
| 216 | D | 60.9 | Low | 62.7 | Low | 90 Ų | 90 | 78.9 Ų | 78.9 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.8 | -19.8 | -177.5 | -174.7 | 45.2 | 0 | 0 | 0 | 113.4 | S213 G214 K220 | S213-D216 PolarHBondContact O-N 2.82Å; G214-D216 PolarHBondContact O-N 3.11Å; G214-D216 VanDerWaalsContact O-N 3.09Å; D216-K220 WeakPolarHBondContact O-CD 3.44Å; D216-K220 WeakPolarHBondContact O-CE 3.49Å; D216-K220 VanDerWaalsContact O-CG 3.27Å; D216-K220 WeakPolarHBondContact O-CG 3.13Å; D216-K220 PolarHBondContact O-NZ 3.27Å; D216-K220 WeakPolarHBondContact OD1-CE 3.48Å; D216-K220 IonicContact OD1-NZ 2.74Å; D216-K220 PolarHBondContact OD1-NZ 3.48Å; D216-K220 IonicContact OD2-NZ 3.53Å; D216-K220 PolarHBondContact OD2-NZ 3.45Å |
| 217 | I | 55.1 | Low | 62.4 | Low | 141 Ų | 141 | 78.2 Ų | 78.2 | 72% | 0.723 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -79.6 | -41 | 169.3 | -60.3 | 175.3 | 0 | 0 | 0 | 110.2 | G214 L215 K220 | G214-I217 WeakPolarHBondContact O-CB 3.5Å; G214-I217 PolarHBondContact O-N 3.11Å; L215-I217 PolarHBondContact O-N 3.39Å; I217-K220 PolarHBondContact O-N 2.98Å |
| 218 | F | 57.7 | Low | 62.8 | Low | 22 Ų | 22 | 73.7 Ų | 73.7 | 10% | 0.096 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.1 | -44 | -174.7 | -175.3 | -107.8 | 0 | 0 | 0 | 112.7 | L181 L184 L215 K220 S221 F224 | L181-F218 HydrophobicContact CD1-CD1 4.49Å; L181-F218 HydrophobicContact CD1-CD2 3.42Å; L181-F218 VanDerWaalsContact CD1-CD2 3.42Å; L181-F218 HydrophobicContact CD1-CE2 3.47Å; L181-F218 VanDerWaalsContact CD1-CE2 3.47Å; L181-F218 HydrophobicContact CD1-CG 3.95Å; L181-F218 HydrophobicContact CD1-CZ 4.06Å; L181-F218 HydrophobicContact CG-CD2 4.09Å; L181-F218 HydrophobicContact CG-CE2 3.76Å; L181-F218 HydrophobicContact CG-CZ 4.44Å; L184-F218 HydrophobicContact CB-CE1 4.17Å; L184-F218 HydrophobicContact CB-CZ 3.84Å; L184-F218 HydrophobicContact CD1-CD1 4.43Å; L184-F218 HydrophobicContact CD1-CE1 3.61Å; L184-F218 HydrophobicContact CD1-CZ 3.99Å; L184-F218 HydrophobicContact CD2-CE1 4.39Å; L184-F218 HydrophobicContact CG-CE1 4.29Å; L184-F218 HydrophobicContact CG-CZ 4.45Å; L215-F218 PolarHBondContact O-N 2.7Å; F218-K220 PolarHBondContact O-N 3.08Å; F218-S221 VanDerWaalsContact O-CB 3.25Å; F218-S221 WeakPolarHBondContact O-CB 3.24Å; F218-S221 PolarHBondContact O-N 2.94Å; F218-S221 PolarHBondContact O-OG 3.19Å; F218-F224 HydrophobicContact CD1-CE2 4.22Å; F218-F224 HydrophobicContact CD1-CZ 4.3Å; F218-F224 HydrophobicContact CE1-CD2 4.14Å; F218-F224 AromaticContact CE1-CE1 3.96Å; F218-F224 HydrophobicContact CE1-CE1 3.96Å; F218-F224 AromaticContact CE1-CE2 3.32Å; F218-F224 HydrophobicContact CE1-CE2 3.32Å; F218-F224 AromaticContact CE1-CZ 3.23Å; F218-F224 HydrophobicContact CE1-CZ 3.23Å; F218-F224 HydrophobicContact CE2-CE2 4.15Å; F218-F224 HydrophobicContact CZ-CD2 4.32Å; F218-F224 AromaticContact CZ-CE2 3.3Å; F218-F224 HydrophobicContact CZ-CE2 3.3Å; F218-F224 AromaticContact CZ-CZ 3.48Å; F218-F224 HydrophobicContact CZ-CZ 3.48Å; F218-F224 VanDerWaalsContact CZ-CZ 3.48Å |
| 219 | L | 64.2 | Low | 63.6 | Low | 44 Ų | 44 | 74.9 Ų | 74.9 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.8 | 177 | -62.6 | 177.8 | 0 | 0 | 0 | 113.3 | L202 L215 S221 V229 | L202-L219 HydrophobicContact CD1-CD1 4.21Å; L215-L219 HydrophobicContact CD2-CD1 3.92Å; L215-L219 HydrophobicContact CG-CD1 3.91Å; L215-L219 HydrophobicContact CG-CG 4.11Å; L215-L219 WeakPolarHBondContact O-CG 3.49Å; L215-L219 PolarHBondContact O-N 3.15Å; L219-S221 VanDerWaalsContact C-N 3.31Å; L219-V229 HydrophobicContact CD1-CG1 4.33Å; L219-V229 HydrophobicContact CD2-CG1 3.95Å; L219-V229 HydrophobicContact CD2-CG2 4.12Å |
| 220 | K | 60.5 | Low | 64.8 | Low | 116 Ų | 116 | 70.4 Ų | 70.4 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.9 | 175.6 | -70.6 | 172.2 | -164.2 | 158.3 | 0 | 113.7 | D216 I217 F218 K225 | D216-K220 WeakPolarHBondContact O-CD 3.44Å; D216-K220 WeakPolarHBondContact O-CE 3.49Å; D216-K220 VanDerWaalsContact O-CG 3.27Å; D216-K220 WeakPolarHBondContact O-CG 3.13Å; D216-K220 PolarHBondContact O-NZ 3.27Å; D216-K220 WeakPolarHBondContact OD1-CE 3.48Å; D216-K220 IonicContact OD1-NZ 2.74Å; D216-K220 PolarHBondContact OD1-NZ 3.48Å; D216-K220 IonicContact OD2-NZ 3.53Å; D216-K220 PolarHBondContact OD2-NZ 3.45Å; I217-K220 PolarHBondContact O-N 2.98Å; F218-K220 PolarHBondContact O-N 3.08Å; K220-K225 WeakPolarHBondContact O-CE 3.3Å; K220-K225 PolarHBondContact O-NZ 3.39Å |
| 221 | S | 63.9 | Low | 66.4 | Low | 41 Ų | 41 | 67.6 Ų | 67.6 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -63 | 150.5 | 173 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | F218 L219 E223 F224 | F218-S221 VanDerWaalsContact O-CB 3.25Å; F218-S221 WeakPolarHBondContact O-CB 3.24Å; F218-S221 PolarHBondContact O-N 2.94Å; F218-S221 PolarHBondContact O-OG 3.19Å; L219-S221 VanDerWaalsContact C-N 3.31Å; S221-E223 PolarHBondContact O-N 3.48Å; S221-F224 WeakPolarHBondContact OG-CD2 3.2Å |
| 222 | N | 59.8 | Low | 68.4 | Low | 122 Ų | 122 | 62.8 Ų | 62.8 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -13.5 | -167.5 | -78.2 | -22 | 0 | 0 | 0 | 114.8 | K225 | N222-K225 PolarHBondContact OD1-NZ 3.07Š|
| 223 | E | 63.1 | Low | 70.6 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -45.5 | -179.6 | -58.7 | -174.5 | 143.9 | 0 | 0 | 111 | L188 S221 K225 K226 | L188-E223 HydrophobicContact CD1-CB 3.9Å; S221-E223 PolarHBondContact O-N 3.48Å; E223-K225 VanDerWaalsContact C-N 3.29Å; E223-K225 PolarHBondContact O-N 2.79Å; E223-K226 PolarHBondContact O-N 3.23Å |
| 224 | F | 64.8 | Low | 72.5 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -68.2 | -23.6 | 179.6 | -72 | -94.2 | 0 | 0 | 0 | 113.5 | L184 L188 V200 F218 S221 K226 I227 | L184-F224 HydrophobicContact CB-CZ 4.36Å; L184-F224 HydrophobicContact CD2-CE1 4.06Å; L184-F224 HydrophobicContact CD2-CZ 3.94Å; L188-F224 HydrophobicContact CD1-CD1 4.16Å; L188-F224 HydrophobicContact CD1-CD2 3.75Å; L188-F224 HydrophobicContact CD1-CE1 3.83Å; L188-F224 HydrophobicContact CD1-CE2 3.37Å; L188-F224 HydrophobicContact CD1-CG 4.12Å; L188-F224 HydrophobicContact CD1-CZ 3.4Å; L188-F224 VanDerWaalsContact CD1-CZ 3.4Å; L188-F224 HydrophobicContact CD2-CE1 4.24Å; L188-F224 HydrophobicContact CD2-CZ 4.33Å; L188-F224 HydrophobicContact CG-CE1 4.19Å; L188-F224 HydrophobicContact CG-CE2 4.2Å; L188-F224 HydrophobicContact CG-CZ 3.78Å; V200-F224 HydrophobicContact CG2-CD1 4.24Å; V200-F224 HydrophobicContact CG2-CE1 4.05Å; F218-F224 HydrophobicContact CD1-CE2 4.22Å; F218-F224 HydrophobicContact CD1-CZ 4.3Å; F218-F224 HydrophobicContact CE1-CD2 4.14Å; F218-F224 AromaticContact CE1-CE1 3.96Å; F218-F224 HydrophobicContact CE1-CE1 3.96Å; F218-F224 AromaticContact CE1-CE2 3.32Å; F218-F224 HydrophobicContact CE1-CE2 3.32Å; F218-F224 AromaticContact CE1-CZ 3.23Å; F218-F224 HydrophobicContact CE1-CZ 3.23Å; F218-F224 HydrophobicContact CE2-CE2 4.15Å; F218-F224 HydrophobicContact CZ-CD2 4.32Å; F218-F224 AromaticContact CZ-CE2 3.3Å; F218-F224 HydrophobicContact CZ-CE2 3.3Å; F218-F224 AromaticContact CZ-CZ 3.48Å; F218-F224 HydrophobicContact CZ-CZ 3.48Å; F218-F224 VanDerWaalsContact CZ-CZ 3.48Å; S221-F224 WeakPolarHBondContact OG-CD2 3.2Å; F224-K226 PolarHBondContact O-N 2.85Å; F224-I227 PolarHBondContact O-N 2.98Å |
| 225 | K | 67.2 | Low | 74.4 | Confident | 130 Ų | 130 | 56.8 Ų | 56.8 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.3 | -8.8 | 175.4 | -67.8 | 177.4 | -171.3 | 160.2 | 0 | 114.9 | K220 N222 E223 | K220-K225 WeakPolarHBondContact O-CE 3.3Å; K220-K225 PolarHBondContact O-NZ 3.39Å; N222-K225 PolarHBondContact OD1-NZ 3.07Å; E223-K225 VanDerWaalsContact C-N 3.29Å; E223-K225 PolarHBondContact O-N 2.79Å |
| 226 | K | 73.4 | Confident | 75.9 | Confident | 168 Ų | 168 | 60.4 Ų | 60.4 | 73% | 0.73 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -101.6 | -4.1 | 177.1 | -65.2 | 179.4 | -178.2 | 172.5 | 0 | 114.2 | E223 F224 V257 | E223-K226 PolarHBondContact O-N 3.23Å; F224-K226 PolarHBondContact O-N 2.85Å; K226-V257 WeakPolarHBondContact O-CG2 3.26Å |
| 227 | I | 82.1 | Confident | 77.5 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -131.1 | 132.8 | -171.9 | -61.4 | 172 | 0 | 0 | 0 | 108.2 | L188 V200 F224 | L188-I227 HydrophobicContact CD1-CD1 4.48Å; L188-I227 HydrophobicContact CD2-CD1 3.57Å; V200-I227 HydrophobicContact CG2-CG2 3.94Å; F224-I227 PolarHBondContact O-N 2.98Å |
| 228 | P | 87.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | trans | -63.3 | 141.1 | 176 | -20.3 | 33 | 0 | 0 | 0 | 111.5 | V199 V200 T246 L250 V257 L260 | V199-P228 HydrophobicContact CG1-CB 4.43Å; V199-P228 HydrophobicContact CG2-CB 4.47Å; V199-P228 HydrophobicContact CG2-CG 4.41Å; V200-P228 PolarHBondContact N-O 3.08Å; P228-T246 HydrophobicContact CB-CG2 3.79Å; P228-T246 HydrophobicContact CG-CG2 3.87Å; P228-L250 HydrophobicContact CG-CD1 3.85Å; P228-L250 HydrophobicContact CG-CD2 4.13Å; P228-L250 HydrophobicContact CG-CG 4.32Å; P228-V257 HydrophobicContact CG-CG1 3.95Å; P228-V257 HydrophobicContact CG-CG2 4.07Å; P228-L260 HydrophobicContact CG-CD1 4.47Å | ||
| 229 | V | 87.3 | Confident | 81.1 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.2 | 175 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | V200 L202 L219 | V200-V229 HydrophobicContact CB-CG2 4.28Å; V200-V229 HydrophobicContact CG1-CG1 4.46Å; V200-V229 CarbonylContact O-C 3.38Å; V200-V229 VanDerWaalsContact O-CA 3.32Å; V200-V229 WeakPolarHBondContact O-CA 3.32Å; L202-V229 HydrophobicContact CD1-CG1 3.46Å; L202-V229 VanDerWaalsContact CD1-CG1 3.46Å; L202-V229 HydrophobicContact CD2-CG1 4.48Å; L202-V229 HydrophobicContact CG-CG1 3.79Å; L219-V229 HydrophobicContact CD1-CG1 4.33Å; L219-V229 HydrophobicContact CD2-CG1 3.95Å; L219-V229 HydrophobicContact CD2-CG2 4.12Å |
| 230 | I | 91.4 | Very high | 82.6 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.3 | -176.3 | -65.7 | 176.2 | 0 | 0 | 0 | 110 | V199 V200 V201 L202 T232 N239 A243 T246 H262 | V199-I230 HydrophobicContact CG1-CD1 4.12Å; V199-I230 HydrophobicContact CG1-CG1 4.42Å; V200-I230 PolarHBondContact O-N 2.83Å; V201-I230 WeakPolarHBondContact CA-O 3.49Å; L202-I230 PolarHBondContact N-O 3.21Å; I230-T232 HydrophobicContact CG2-CG2 3.81Å; I230-N239 HydrophobicContact CG2-CB 4.01Å; I230-A243 HydrophobicContact CD1-CB 4.49Å; I230-A243 HydrophobicContact CG2-CB 4.37Å; I230-T246 HydrophobicContact CD1-CG2 3.81Å; I230-T246 VanDerWaalsContact CD1-OG1 3.3Å; I230-T246 WeakPolarHBondContact CD1-OG1 3.47Å; I230-H262 HydrophobicContact CG1-CB 4.46Å |
| 231 | E | 91.3 | Very high | 84.1 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.7 | -179.2 | -62.6 | 162.2 | -174.2 | 0 | 0 | 110.4 | L202 L205 N239 Y265 | L202-E231 HydrophobicContact CD1-CG 3.78Å; L205-E231 HydrophobicContact CD1-CB 4.09Å; L205-E231 HydrophobicContact CD2-CB 4Å; L205-E231 HydrophobicContact CD2-CG 4.21Å; E231-N239 WeakPolarHBondContact O-CB 3.5Å; E231-N239 PolarHBondContact O-ND2 3.36Å; E231-Y265 HydrophobicContact CB-CD2 4.41Å; E231-Y265 WeakPolarHBondContact OE2-CB 3.25Å; E231-Y265 PolarHBondContact OE2-N 2.95Å |
| 232 | T | 94.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -136.3 | 157.4 | -171.4 | 70.1 | 0 | 0 | 0 | 0 | 114.4 | F30 V201 L202 L205 I230 V238 N239 | F30-T232 HydrophobicContact CE2-CG2 4.41Å; V201-T232 HydrophobicContact CG1-CG2 3.85Å; V201-T232 VanDerWaalsContact CG1-OG1 3.3Å; V201-T232 WeakPolarHBondContact CG1-OG1 3.41Å; L202-T232 PolarHBondContact O-N 3.06Å; L202-T232 PolarHBondContact O-OG1 3.29Å; L205-T232 VanDerWaalsContact CD1-O 3.27Å; L205-T232 WeakPolarHBondContact CD1-O 3.15Å; I230-T232 HydrophobicContact CG2-CG2 3.81Å; T232-V238 WeakPolarHBondContact CA-O 3.39Å; T232-V238 WeakPolarHBondContact CB-O 3.38Å; T232-N239 HydrophobicContact CG2-CB 3.9Å | ||
| 233 | S | 93.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 128.8 | 161 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | D206 H235 E236 N237 V238 I240 Y265 | D206-S233 WeakPolarHBondContact OD1-CB 3.47Å; D206-S233 PolarHBondContact OD1-OG 3.35Å; S233-H235 PolarHBondContact OG-N 2.91Å; S233-E236 PolarHBondContact OG-N 3.36Å; S233-E236 VanDerWaalsContact OG-N 3.08Å; S233-N237 CarbonylContact O-C 3.41Å; S233-N237 VanDerWaalsContact O-CA 3.24Å; S233-N237 WeakPolarHBondContact O-CA 3.43Å; S233-N237 PolarHBondContact O-N 3.45Å; S233-V238 PolarHBondContact N-O 3.44Å; S233-V238 VanDerWaalsContact N-O 3.13Å; S233-V238 PolarHBondContact O-N 3.34Å; S233-I240 WeakPolarHBondContact O-CG1 3.18Å; S233-Y265 WeakPolarHBondContact CB-OH 3.39Å |
| 234 | A | 93.8 | Very high | 88.7 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -33.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C29 R33 I240 | C29-A234 HydrophobicContact CB-CB 4.02Å; R33-A234 HydrophobicContact CB-CB 4.38Å; R33-A234 PolarHBondContact NE-O 2.84Å; R33-A234 PolarHBondContact NH2-O 2.82Å; A234-I240 HydrophobicContact CB-CD1 4.22Å |
| 235 | H | 91.2 | Very high | 90 | Very high | 50 Ų | 50 | 37 Ų | 37 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -56.2 | 178.3 | -59.1 | -58.2 | 0 | 0 | 0 | 110.6 | R33 Y42 K44 D206 S233 N237 | R33-H235 PolarHBondContact NH2-O 2.77Å; Y42-H235 PolarHBondContact OH-CE1 2.89Å; Y42-H235 PolarHBondContact OH-ND1 2.94Å; Y42-H235 VanDerWaalsContact OH-ND1 3.17Å; K44-H235 WeakPolarHBondContact CG-CE1 3.32Å; D206-H235 IonicContact OD2-CD2 2.75Å; D206-H235 PolarHBondContact OD2-CD2 2.83Å; D206-H235 VanDerWaalsContact OD2-CD2 3.29Å; D206-H235 IonicContact OD2-CG 2.79Å; S233-H235 PolarHBondContact OG-N 2.91Å; H235-N237 PolarHBondContact O-N 2.89Å |
| 236 | E | 90.8 | Very high | 91.2 | Very high | 91 Ų | 91 | 30.8 Ų | 30.8 | 43% | 0.425 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.9 | 176.7 | -61.2 | -165.8 | 149.6 | 0 | 0 | 113.6 | D206 S233 V238 Y265 R272 | D206-E236 HydrophobicContact CB-CG 4.03Å; S233-E236 PolarHBondContact OG-N 3.36Å; S233-E236 VanDerWaalsContact OG-N 3.08Å; E236-V238 HydrophobicContact CB-CG2 3.79Å; E236-Y265 PolarHBondContact OE2-OH 3.49Å; E236-R272 WeakPolarHBondContact O-CD 3.48Å; E236-R272 PolarHBondContact O-NE 2.99Å |
| 237 | N | 94.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 13% | 0.128 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 54.6 | -175.4 | -172.5 | 14.2 | 0 | 0 | 0 | 112 | R33 S233 H235 R272 | R33-N237 HydrophobicContact CG-CB 4.15Å; S233-N237 CarbonylContact O-C 3.41Å; S233-N237 VanDerWaalsContact O-CA 3.24Å; S233-N237 WeakPolarHBondContact O-CA 3.43Å; S233-N237 PolarHBondContact O-N 3.45Å; H235-N237 PolarHBondContact O-N 2.89Å; N237-R272 PolarHBondContact ND2-NH1 3.12Å; N237-R272 PolarHBondContact O-NH1 3.37Å |
| 238 | V | 94.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -107.5 | 128.4 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 109 | T232 S233 E236 I240 Y265 A268 A269 | T232-V238 WeakPolarHBondContact CA-O 3.39Å; T232-V238 WeakPolarHBondContact CB-O 3.38Å; S233-V238 PolarHBondContact N-O 3.44Å; S233-V238 VanDerWaalsContact N-O 3.13Å; S233-V238 PolarHBondContact O-N 3.34Å; E236-V238 HydrophobicContact CB-CG2 3.79Å; V238-I240 PolarHBondContact O-N 2.89Å; V238-Y265 HydrophobicContact CB-CE2 3.96Å; V238-Y265 HydrophobicContact CG1-CD2 3.93Å; V238-Y265 HydrophobicContact CG1-CE2 3.81Å; V238-A268 HydrophobicContact CG1-CB 3.71Å; V238-A269 HydrophobicContact CG1-CB 4.44Å; V238-A269 HydrophobicContact CG2-CB 4.1Å |
| 239 | N | 94.7 | Very high | 92.6 | Very high | 26 Ų | 26 | 25 Ų | 25 | 14% | 0.139 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 56 | 3.2 | 177.9 | -75 | -18.5 | 0 | 0 | 0 | 117.7 | I230 E231 T232 E241 E242 A243 I263 A268 | I230-N239 HydrophobicContact CG2-CB 4.01Å; E231-N239 WeakPolarHBondContact O-CB 3.5Å; E231-N239 PolarHBondContact O-ND2 3.36Å; T232-N239 HydrophobicContact CG2-CB 3.9Å; N239-E241 PolarHBondContact O-N 2.84Å; N239-E242 PolarHBondContact O-N 2.99Å; N239-E242 VanDerWaalsContact O-N 3.11Å; N239-A243 PolarHBondContact O-N 2.99Å; N239-A243 VanDerWaalsContact O-N 3.11Å; N239-I263 PolarHBondContact ND2-O 2.67Å; N239-I263 VanDerWaalsContact ND2-O 3.1Å; N239-A268 VanDerWaalsContact OD1-CB 3.26Å; N239-A268 WeakPolarHBondContact OD1-CB 3.32Å |
| 240 | I | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -53.2 | -51.1 | 180 | -59.5 | -66.8 | 0 | 0 | 0 | 111.7 | F30 R33 F34 S233 A234 V238 E242 A243 F244 | F30-I240 HydrophobicContact CD2-CD1 3.39Å; F30-I240 HydrophobicContact CD2-CG2 4.49Å; F30-I240 HydrophobicContact CE2-CD1 3.75Å; F30-I240 HydrophobicContact CE2-CG2 4.34Å; F30-I240 HydrophobicContact CG-CD1 4.39Å; R33-I240 HydrophobicContact CB-CG2 4.39Å; R33-I240 HydrophobicContact CG-CB 4.42Å; R33-I240 HydrophobicContact CG-CG1 3.99Å; R33-I240 HydrophobicContact CG-CG2 4.18Å; F34-I240 HydrophobicContact CB-CG2 3.95Å; F34-I240 HydrophobicContact CD2-CG2 4.48Å; S233-I240 WeakPolarHBondContact O-CG1 3.18Å; A234-I240 HydrophobicContact CB-CD1 4.22Å; V238-I240 PolarHBondContact O-N 2.89Å; I240-E242 PolarHBondContact O-N 3.25Å; I240-A243 WeakPolarHBondContact O-CB 3.35Å; I240-A243 PolarHBondContact O-N 3.4Å; I240-F244 WeakPolarHBondContact O-CD2 3.25Å |
| 241 | E | 92.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 23% | 0.234 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | 178.9 | -58.4 | -159.1 | 134 | 0 | 0 | 112.6 | F34 R37 R73 N239 A243 F244 L245 | F34-E241 HydrophobicContact CD2-CG 4.24Å; F34-E241 HydrophobicContact CE2-CG 4.33Å; R37-E241 IonicContact CZ-OE1 3.42Å; R37-E241 IonicContact CZ-OE2 2.97Å; R37-E241 IonicContact NH1-OE1 2.61Å; R37-E241 PolarHBondContact NH1-OE1 2.61Å; R37-E241 IonicContact NH1-OE2 2.74Å; R37-E241 PolarHBondContact NH1-OE2 3.49Å; R73-E241 IonicContact CZ-OE1 3.68Å; R73-E241 IonicContact NE-OE1 3.73Å; R73-E241 PolarHBondContact NE-OE1 3.42Å; R73-E241 IonicContact NH2-OE1 3.69Å; R73-E241 PolarHBondContact NH2-OE1 2.99Å; N239-E241 PolarHBondContact O-N 2.84Å; E241-A243 PolarHBondContact O-N 3.39Å; E241-F244 PolarHBondContact O-N 2.83Å; E241-F244 VanDerWaalsContact O-N 3.13Å; E241-L245 WeakPolarHBondContact O-CB 3.33Å; E241-L245 VanDerWaalsContact O-CG 3.26Å; E241-L245 WeakPolarHBondContact O-CG 3.11Å; E241-L245 PolarHBondContact O-N 2.79Å |
| 242 | E | 93.7 | Very high | 92 | Very high | 43 Ų | 43 | 29 Ų | 29 | 20% | 0.201 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.5 | -25.5 | -179.4 | -178.2 | 59.2 | -169.8 | 0 | 0 | 112.3 | N239 I240 T246 R249 H262 | N239-E242 PolarHBondContact O-N 2.99Å; N239-E242 VanDerWaalsContact O-N 3.11Å; I240-E242 PolarHBondContact O-N 3.25Å; E242-T246 WeakPolarHBondContact O-CB 3.44Å; E242-T246 PolarHBondContact O-N 2.82Å; E242-T246 PolarHBondContact O-OG1 3.46Å; E242-R249 VanDerWaalsContact CD-NH1 3.27Å; E242-R249 IonicContact OE1-CZ 2.63Å; E242-R249 IonicContact OE1-NH1 3.23Å; E242-R249 PolarHBondContact OE1-NH1 3.31Å; E242-R249 IonicContact OE1-NH2 2.74Å; E242-R249 IonicContact OE2-CZ 3.97Å; E242-R249 IonicContact OE2-NH1 3.76Å; E242-R249 PolarHBondContact OE2-NH1 2.82Å; E242-R249 VanDerWaalsContact OE2-NH1 3.15Å; E242-R249 IonicContact OE2-NH2 3.2Å; E242-R249 PolarHBondContact OE2-NH2 2.81Å; E242-H262 IonicContact OE1-ND1 3.6Å |
| 243 | A | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -49.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F30 V201 I230 N239 I240 E241 T246 L247 | F30-A243 HydrophobicContact CE2-CB 4.18Å; F30-A243 HydrophobicContact CZ-CB 3.87Å; V201-A243 HydrophobicContact CG2-CB 3.59Å; I230-A243 HydrophobicContact CD1-CB 4.49Å; I230-A243 HydrophobicContact CG2-CB 4.37Å; N239-A243 PolarHBondContact O-N 2.99Å; N239-A243 VanDerWaalsContact O-N 3.11Å; I240-A243 WeakPolarHBondContact O-CB 3.35Å; I240-A243 PolarHBondContact O-N 3.4Å; E241-A243 PolarHBondContact O-N 3.39Å; A243-T246 PolarHBondContact O-N 2.75Å; A243-L247 PolarHBondContact O-N 3.15Å; A243-L247 VanDerWaalsContact O-N 3.07Å |
| 244 | F | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.9 | -72.8 | -84.9 | 0 | 0 | 0 | 112.2 | I17 F30 F34 I84 I158 I240 E241 T246 L247 Y248 | I17-F244 HydrophobicContact CD1-CD1 3.65Å; I17-F244 HydrophobicContact CD1-CE1 4.16Å; I17-F244 HydrophobicContact CG2-CE1 4.14Å; F30-F244 HydrophobicContact CD1-CE2 4.06Å; F30-F244 HydrophobicContact CD1-CZ 4.11Å; F30-F244 HydrophobicContact CE1-CD2 4.25Å; F30-F244 HydrophobicContact CE1-CE1 4.44Å; F30-F244 AromaticContact CE1-CE2 3.23Å; F30-F244 HydrophobicContact CE1-CE2 3.23Å; F30-F244 AromaticContact CE1-CZ 3.36Å; F30-F244 HydrophobicContact CE1-CZ 3.36Å; F30-F244 HydrophobicContact CE2-CE2 4.38Å; F30-F244 HydrophobicContact CZ-CD2 4.04Å; F30-F244 AromaticContact CZ-CE2 3.41Å; F30-F244 HydrophobicContact CZ-CE2 3.41Å; F30-F244 VanDerWaalsContact CZ-CE2 3.41Å; F30-F244 HydrophobicContact CZ-CZ 4Å; F34-F244 HydrophobicContact CB-CD2 3.95Å; F34-F244 HydrophobicContact CB-CE2 3.42Å; F34-F244 VanDerWaalsContact CB-CE2 3.42Å; F34-F244 HydrophobicContact CB-CZ 3.98Å; F34-F244 AromaticContact CD1-CD1 3.9Å; F34-F244 HydrophobicContact CD1-CD1 3.9Å; F34-F244 AromaticContact CD1-CD2 3.73Å; F34-F244 HydrophobicContact CD1-CD2 3.73Å; F34-F244 AromaticContact CD1-CE1 3.83Å; F34-F244 HydrophobicContact CD1-CE1 3.83Å; F34-F244 AromaticContact CD1-CE2 3.64Å; F34-F244 HydrophobicContact CD1-CE2 3.64Å; F34-F244 AromaticContact CD1-CG 3.86Å; F34-F244 HydrophobicContact CD1-CG 3.86Å; F34-F244 AromaticContact CD1-CZ 3.69Å; F34-F244 HydrophobicContact CD1-CZ 3.69Å; F34-F244 HydrophobicContact CD2-CB 4.25Å; F34-F244 AromaticContact CD2-CD2 3.31Å; F34-F244 HydrophobicContact CD2-CD2 3.31Å; F34-F244 AromaticContact CD2-CE2 3.76Å; F34-F244 HydrophobicContact CD2-CE2 3.76Å; F34-F244 AromaticContact CD2-CG 3.84Å; F34-F244 HydrophobicContact CD2-CG 3.84Å; F34-F244 HydrophobicContact CE1-CB 4.18Å; F34-F244 AromaticContact CE1-CD1 3.69Å; F34-F244 HydrophobicContact CE1-CD1 3.69Å; F34-F244 HydrophobicContact CE1-CD2 4.01Å; F34-F244 HydrophobicContact CE1-CE1 4.04Å; F34-F244 HydrophobicContact CE1-CE2 4.33Å; F34-F244 AromaticContact CE1-CG 3.68Å; F34-F244 HydrophobicContact CE1-CG 3.68Å; F34-F244 HydrophobicContact CE1-CZ 4.33Å; F34-F244 HydrophobicContact CE2-CB 3.64Å; F34-F244 AromaticContact CE2-CD2 3.63Å; F34-F244 HydrophobicContact CE2-CD2 3.63Å; F34-F244 HydrophobicContact CE2-CE2 4.43Å; F34-F244 AromaticContact CE2-CG 3.67Å; F34-F244 HydrophobicContact CE2-CG 3.67Å; F34-F244 HydrophobicContact CG-CD1 4.39Å; F34-F244 AromaticContact CG-CD2 3.36Å; F34-F244 HydrophobicContact CG-CD2 3.36Å; F34-F244 HydrophobicContact CG-CE1 4.36Å; F34-F244 AromaticContact CG-CE2 3.3Å; F34-F244 HydrophobicContact CG-CE2 3.3Å; F34-F244 AromaticContact CG-CG 3.94Å; F34-F244 HydrophobicContact CG-CG 3.94Å; F34-F244 AromaticContact CG-CZ 3.84Å; F34-F244 HydrophobicContact CG-CZ 3.84Å; F34-F244 HydrophobicContact CZ-CB 3.6Å; F34-F244 HydrophobicContact CZ-CD1 4.02Å; F34-F244 AromaticContact CZ-CD2 3.97Å; F34-F244 HydrophobicContact CZ-CD2 3.97Å; F34-F244 AromaticContact CZ-CG 3.59Å; F34-F244 HydrophobicContact CZ-CG 3.59Å; I84-F244 HydrophobicContact CD1-CD1 4.18Å; I84-F244 HydrophobicContact CD1-CE1 3.58Å; I84-F244 HydrophobicContact CD1-CZ 4.34Å; I158-F244 HydrophobicContact CD1-CD1 3.69Å; I158-F244 HydrophobicContact CD1-CD2 4.35Å; I158-F244 HydrophobicContact CD1-CE1 3.52Å; I158-F244 HydrophobicContact CD1-CE2 4.22Å; I158-F244 HydrophobicContact CD1-CG 4.11Å; I158-F244 HydrophobicContact CD1-CZ 3.83Å; I240-F244 WeakPolarHBondContact O-CD2 3.25Å; E241-F244 PolarHBondContact O-N 2.83Å; E241-F244 VanDerWaalsContact O-N 3.13Å; F244-T246 VanDerWaalsContact C-N 3.28Å; F244-T246 PolarHBondContact O-N 3.23Å; F244-L247 PolarHBondContact O-N 2.71Å; F244-Y248 WeakPolarHBondContact O-CB 3.4Å; F244-Y248 PolarHBondContact O-N 2.62Å |
| 245 | L | 92 | Very high | 87.4 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -35 | 174.2 | -65.1 | 175.8 | 0 | 0 | 0 | 111.7 | I75 E241 Y248 R249 | I75-L245 HydrophobicContact CD1-CD2 3.36Å; I75-L245 HydrophobicContact CG1-CD2 3.77Å; E241-L245 WeakPolarHBondContact O-CB 3.33Å; E241-L245 VanDerWaalsContact O-CG 3.26Å; E241-L245 WeakPolarHBondContact O-CG 3.11Å; E241-L245 PolarHBondContact O-N 2.79Å; L245-Y248 WeakPolarHBondContact O-CB 3.47Å; L245-Y248 PolarHBondContact O-N 2.81Å; L245-R249 WeakPolarHBondContact O-CG 3.42Å; L245-R249 PolarHBondContact O-N 3.24Å |
| 246 | T | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -46.5 | 175.3 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | V199 P228 I230 E242 A243 F244 Y248 R249 L250 L260 H262 | V199-T246 HydrophobicContact CG2-CG2 3.91Å; P228-T246 HydrophobicContact CB-CG2 3.79Å; P228-T246 HydrophobicContact CG-CG2 3.87Å; I230-T246 HydrophobicContact CD1-CG2 3.81Å; I230-T246 VanDerWaalsContact CD1-OG1 3.3Å; I230-T246 WeakPolarHBondContact CD1-OG1 3.47Å; E242-T246 WeakPolarHBondContact O-CB 3.44Å; E242-T246 PolarHBondContact O-N 2.82Å; E242-T246 PolarHBondContact O-OG1 3.46Å; A243-T246 PolarHBondContact O-N 2.75Å; F244-T246 VanDerWaalsContact C-N 3.28Å; F244-T246 PolarHBondContact O-N 3.23Å; T246-Y248 VanDerWaalsContact C-N 3.29Å; T246-Y248 PolarHBondContact O-N 2.74Å; T246-R249 PolarHBondContact O-N 3.06Å; T246-L250 WeakPolarHBondContact O-CG 3.24Å; T246-L250 PolarHBondContact O-N 3.03Å; T246-L260 HydrophobicContact CG2-CD1 4.25Å; T246-H262 VanDerWaalsContact CG2-CE1 3.49Å; T246-H262 WeakPolarHBondContact CG2-CE1 3.3Å; T246-H262 PolarHBondContact OG1-CE1 3.17Å |
| 247 | L | 92.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.4 | -178.2 | 55.8 | 0 | 0 | 0 | 111.3 | I17 I158 P197 V199 A243 F244 R249 L250 M251 | I17-L247 HydrophobicContact CB-CD2 4.48Å; I17-L247 HydrophobicContact CD1-CD2 3.89Å; I17-L247 HydrophobicContact CG1-CD2 3.88Å; I17-L247 HydrophobicContact CG2-CD2 3.82Å; I158-L247 HydrophobicContact CD1-CD2 4.28Å; I158-L247 HydrophobicContact CG1-CD2 3.7Å; P197-L247 HydrophobicContact CB-CD1 4Å; P197-L247 HydrophobicContact CG-CD1 4.16Å; V199-L247 HydrophobicContact CG2-CB 3.86Å; V199-L247 HydrophobicContact CG2-CD1 4.28Å; A243-L247 PolarHBondContact O-N 3.15Å; A243-L247 VanDerWaalsContact O-N 3.07Å; F244-L247 PolarHBondContact O-N 2.71Å; L247-R249 PolarHBondContact O-N 2.92Å; L247-L250 WeakPolarHBondContact O-CB 3.27Å; L247-L250 PolarHBondContact O-N 2.67Å; L247-M251 HydrophobicContact CG-SD 4.44Å; L247-M251 WeakPolarHBondContact O-CG 3.48Å; L247-M251 PolarHBondContact O-N 2.91Å |
| 248 | Y | 91.3 | Very high | 83.1 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.4 | -49.8 | 172.8 | -178.7 | -90 | 0 | 0 | 0 | 112.7 | K13 I15 I75 I80 F82 F244 L245 T246 L250 M251 E252 | K13-Y248 HydrophobicContact CD-CE2 4.41Å; K13-Y248 PolarHBondContact NZ-OH 2.94Å; I15-Y248 HydrophobicContact CD1-CD2 3.41Å; I15-Y248 VanDerWaalsContact CD1-CD2 3.41Å; I15-Y248 HydrophobicContact CD1-CE2 3.38Å; I75-Y248 HydrophobicContact CB-CE1 4.48Å; I75-Y248 HydrophobicContact CD1-CD1 3.9Å; I75-Y248 HydrophobicContact CD1-CD2 4.17Å; I75-Y248 HydrophobicContact CD1-CE1 4.33Å; I75-Y248 HydrophobicContact CD1-CG 3.84Å; I75-Y248 HydrophobicContact CG2-CD1 4.03Å; I75-Y248 HydrophobicContact CG2-CE1 3.94Å; I80-Y248 HydrophobicContact CB-CE2 4.21Å; I80-Y248 HydrophobicContact CD1-CE2 3.68Å; I80-Y248 WeakPolarHBondContact CD1-OH 3.42Å; I80-Y248 HydrophobicContact CG1-CD2 4.32Å; I80-Y248 HydrophobicContact CG1-CE2 3.62Å; I80-Y248 HydrophobicContact CG2-CD2 3.76Å; I80-Y248 HydrophobicContact CG2-CE2 3.57Å; F82-Y248 HydrophobicContact CE1-CD2 4.05Å; F82-Y248 AromaticContact CZ-CD2 3.95Å; F82-Y248 HydrophobicContact CZ-CD2 3.95Å; F82-Y248 HydrophobicContact CZ-CG 4.23Å; F244-Y248 WeakPolarHBondContact O-CB 3.4Å; F244-Y248 PolarHBondContact O-N 2.62Å; L245-Y248 WeakPolarHBondContact O-CB 3.47Å; L245-Y248 PolarHBondContact O-N 2.81Å; T246-Y248 VanDerWaalsContact C-N 3.29Å; T246-Y248 PolarHBondContact O-N 2.74Å; Y248-L250 VanDerWaalsContact C-N 3.28Å; Y248-L250 PolarHBondContact O-N 3.03Å; Y248-M251 WeakPolarHBondContact O-CB 3.39Å; Y248-M251 PolarHBondContact O-N 3.38Å; Y248-E252 HydrophobicContact CE1-CB 4.23Å; Y248-E252 WeakPolarHBondContact CE1-OE2 3.19Å; Y248-E252 VanDerWaalsContact CZ-OE2 3.24Å; Y248-E252 PolarHBondContact O-N 2.91Å; Y248-E252 PolarHBondContact OH-OE1 3Å; Y248-E252 PolarHBondContact OH-OE2 3.42Å |
| 249 | R | 88.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 60 Ų | 60 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 179 | -68.8 | 166.3 | -161 | 146.8 | 4 | 112.1 | E242 L245 T246 L247 S253 L260 | E242-R249 VanDerWaalsContact CD-NH1 3.27Å; E242-R249 IonicContact OE1-CZ 2.63Å; E242-R249 IonicContact OE1-NH1 3.23Å; E242-R249 PolarHBondContact OE1-NH1 3.31Å; E242-R249 IonicContact OE1-NH2 2.74Å; E242-R249 IonicContact OE2-CZ 3.97Å; E242-R249 IonicContact OE2-NH1 3.76Å; E242-R249 PolarHBondContact OE2-NH1 2.82Å; E242-R249 VanDerWaalsContact OE2-NH1 3.15Å; E242-R249 IonicContact OE2-NH2 3.2Å; E242-R249 PolarHBondContact OE2-NH2 2.81Å; L245-R249 WeakPolarHBondContact O-CG 3.42Å; L245-R249 PolarHBondContact O-N 3.24Å; T246-R249 PolarHBondContact O-N 3.06Å; L247-R249 PolarHBondContact O-N 2.92Å; R249-S253 PolarHBondContact O-N 3.01Å; R249-S253 PolarHBondContact O-OG 2.77Å; R249-L260 HydrophobicContact CB-CD2 4.46Å |
| 250 | L | 88.3 | Confident | 80.6 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 172.6 | -66.4 | -179.1 | 0 | 0 | 0 | 113.2 | P197 A198 V199 P228 T246 L247 Y248 V257 L260 | P197-L250 HydrophobicContact CB-CB 3.96Å; P197-L250 HydrophobicContact CB-CD1 4.3Å; A198-L250 WeakPolarHBondContact O-CD1 3.37Å; V199-L250 HydrophobicContact CG2-CD1 3.92Å; P228-L250 HydrophobicContact CG-CD1 3.85Å; P228-L250 HydrophobicContact CG-CD2 4.13Å; P228-L250 HydrophobicContact CG-CG 4.32Å; T246-L250 WeakPolarHBondContact O-CG 3.24Å; T246-L250 PolarHBondContact O-N 3.03Å; L247-L250 WeakPolarHBondContact O-CB 3.27Å; L247-L250 PolarHBondContact O-N 2.67Å; Y248-L250 VanDerWaalsContact C-N 3.28Å; Y248-L250 PolarHBondContact O-N 3.03Å; L250-V257 HydrophobicContact CD2-CG2 3.85Å; L250-L260 HydrophobicContact CD2-CD1 3.84Å |
| 251 | M | 87.4 | Confident | 79.6 | Confident | 54 Ų | 54 | 68.8 Ų | 68.8 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73 | -47.7 | 179.6 | -73.3 | 174.1 | 55.1 | 0 | 0 | 112.2 | I15 D155 P197 L247 Y248 | I15-M251 HydrophobicContact CB-CE 4.18Å; I15-M251 HydrophobicContact CD1-CE 3.63Å; I15-M251 HydrophobicContact CD1-SD 4.37Å; I15-M251 HydrophobicContact CG1-CE 3.63Å; I15-M251 HydrophobicContact CG2-CE 3.57Å; I15-M251 HydrophobicContact CG2-SD 3.7Å; D155-M251 HydrophobicContact CB-CE 3.39Å; D155-M251 HydrophobicContact CB-SD 4.14Å; P197-M251 HydrophobicContact CG-CB 4.44Å; P197-M251 HydrophobicContact CG-CG 3.45Å; P197-M251 VanDerWaalsContact CG-CG 3.45Å; L247-M251 HydrophobicContact CG-SD 4.44Å; L247-M251 WeakPolarHBondContact O-CG 3.48Å; L247-M251 PolarHBondContact O-N 2.91Å; Y248-M251 WeakPolarHBondContact O-CB 3.39Å; Y248-M251 PolarHBondContact O-N 3.38Å |
| 252 | E | 81.4 | Confident | 79 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -76 | -29.7 | -174.3 | 179.4 | 147.8 | -99.7 | 0 | 0 | 113.2 | K13 Y248 | K13-E252 IonicContact NZ-OE1 3.54Å; K13-E252 PolarHBondContact NZ-OE1 2.85Å; Y248-E252 HydrophobicContact CE1-CB 4.23Å; Y248-E252 WeakPolarHBondContact CE1-OE2 3.19Å; Y248-E252 VanDerWaalsContact CZ-OE2 3.24Å; Y248-E252 PolarHBondContact O-N 2.91Å; Y248-E252 PolarHBondContact OH-OE1 3Å; Y248-E252 PolarHBondContact OH-OE2 3.42Å |
| 253 | S | 66 | Low | 78.6 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | trans | -124.2 | 140.8 | -170.9 | 77.6 | 0 | 0 | 0 | 0 | 112.8 | R249 T255 | R249-S253 PolarHBondContact O-N 3.01Å; R249-S253 PolarHBondContact O-OG 2.77Å; S253-T255 WeakPolarHBondContact CB-OG1 3.5Å; S253-T255 PolarHBondContact O-N 3.03Å; S253-T255 WeakPolarHBondContact OG-CB 3.39Å; S253-T255 PolarHBondContact OG-OG1 3.38Å | ||
| 254 | K | 59.5 | Low | 78.3 | Confident | 218 Ų | 218 | 72.5 Ų | 72.5 | 95% | 0.948 | 34% | 0.335 | S | S | * | . | trans | -70.2 | 29.4 | 166.6 | -64.8 | 179.5 | 178.7 | 173.7 | 0 | 112.3 | R256 | K254-R256 PolarHBondContact O-N 3.47Š| ||
| 255 | T | 60.5 | Low | 78.1 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | trans | -71.5 | 114.6 | -179.9 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | S253 V257 K259 | S253-T255 WeakPolarHBondContact CB-OG1 3.5Å; S253-T255 PolarHBondContact O-N 3.03Å; S253-T255 WeakPolarHBondContact OG-CB 3.39Å; S253-T255 PolarHBondContact OG-OG1 3.38Å; T255-V257 PolarHBondContact O-N 2.64Å; T255-K259 HydrophobicContact CG2-CB 3.89Å; T255-K259 HydrophobicContact CG2-CD 4.37Å | ||
| 256 | R | 59.4 | Low | 77.9 | Confident | 184 Ų | 184 | 74 Ų | 74 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | trans | -61.2 | 129.6 | 176.4 | -58.3 | 178.4 | -176.4 | 173.1 | -2.1 | 109.3 | K254 H258 K259 | K254-R256 PolarHBondContact O-N 3.47Å; R256-H258 VanDerWaalsContact CB-CE1 3.44Å; R256-H258 WeakPolarHBondContact CB-CE1 3.2Å; R256-H258 VanDerWaalsContact CD-CE1 3.48Å; R256-H258 WeakPolarHBondContact CD-CE1 3.36Å; R256-H258 PolarHBondContact O-N 2.94Å; R256-K259 PolarHBondContact O-N 3.49Å | ||
| 257 | V | 63.3 | Low | 77.9 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -42.1 | -40.6 | -174.5 | 166.6 | 0 | 0 | 0 | 0 | 114 | K226 P228 L250 T255 K259 L260 | K226-V257 WeakPolarHBondContact O-CG2 3.26Å; P228-V257 HydrophobicContact CG-CG1 3.95Å; P228-V257 HydrophobicContact CG-CG2 4.07Å; L250-V257 HydrophobicContact CD2-CG2 3.85Å; T255-V257 PolarHBondContact O-N 2.64Å; V257-K259 PolarHBondContact O-N 2.97Å; V257-L260 WeakPolarHBondContact O-CB 3.44Å; V257-L260 PolarHBondContact O-N 3.2Å |
| 258 | H | 63.3 | Low | 78 | Confident | 139 Ų | 139 | 78.9 Ų | 78.9 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -60.1 | -7.4 | 178.9 | 60.3 | -122.7 | 0 | 0 | 0 | 116.5 | R256 | R256-H258 VanDerWaalsContact CB-CE1 3.44Å; R256-H258 WeakPolarHBondContact CB-CE1 3.2Å; R256-H258 VanDerWaalsContact CD-CE1 3.48Å; R256-H258 WeakPolarHBondContact CD-CE1 3.36Å; R256-H258 PolarHBondContact O-N 2.94Å |
| 259 | K | 63.9 | Low | 78.1 | Confident | 157 Ų | 157 | 79.6 Ų | 79.6 | 68% | 0.683 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -88.3 | -16 | 172.3 | -71.2 | -164.4 | 173.1 | -172 | 0 | 113.7 | T255 R256 V257 R261 | T255-K259 HydrophobicContact CG2-CB 3.89Å; T255-K259 HydrophobicContact CG2-CD 4.37Å; R256-K259 PolarHBondContact O-N 3.49Å; V257-K259 PolarHBondContact O-N 2.97Å; K259-R261 PolarHBondContact O-N 2.88Å |
| 260 | L | 72.9 | Confident | 78.4 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 18% | 0.183 | 39% | 0.394 | C | S | . | . | trans | -85 | 104.8 | 179.6 | -62.3 | 165 | 0 | 0 | 0 | 108.6 | P228 T246 R249 L250 V257 | P228-L260 HydrophobicContact CG-CD1 4.47Å; T246-L260 HydrophobicContact CG2-CD1 4.25Å; R249-L260 HydrophobicContact CB-CD2 4.46Å; L250-L260 HydrophobicContact CD2-CD1 3.84Å; V257-L260 WeakPolarHBondContact O-CB 3.44Å; V257-L260 PolarHBondContact O-N 3.2Å | ||
| 261 | R | 74.2 | Confident | 78.7 | Confident | 176 Ų | 176 | 85.2 Ų | 85.2 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | trans | -86.4 | 107.2 | 170 | -71.5 | -173.7 | -179.1 | 174.1 | 1.4 | 108.3 | K259 N1882 T1883 | K259-R261 PolarHBondContact O-N 2.88Å; R261-N1882 PolarHBondContact NH2-OD1 2.85Å; R261-T1883 PolarHBondContact NH1-OG1 3.24Å | ||
| 262 | H | 81.2 | Confident | 79 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 153.8 | 173 | -56.6 | -61.4 | 0 | 0 | 0 | 111.1 | I230 E242 T246 | I230-H262 HydrophobicContact CG1-CB 4.46Å; E242-H262 IonicContact OE1-ND1 3.6Å; T246-H262 VanDerWaalsContact CG2-CE1 3.49Å; T246-H262 WeakPolarHBondContact CG2-CE1 3.3Å; T246-H262 PolarHBondContact OG1-CE1 3.17Å |
| 263 | I | 84.8 | Confident | 79.6 | Confident | 63 Ų | 63 | 83.5 Ų | 83.5 | 32% | 0.323 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 129.3 | 177 | -56.4 | 173.1 | 0 | 0 | 0 | 107.6 | N239 E267 A268 K271 | N239-I263 PolarHBondContact ND2-O 2.67Å; N239-I263 VanDerWaalsContact ND2-O 3.1Å; I263-E267 HydrophobicContact CG2-CB 3.67Å; I263-E267 HydrophobicContact CG2-CG 3.81Å; I263-A268 HydrophobicContact CB-CB 4.45Å; I263-A268 HydrophobicContact CG2-CB 3.86Å; I263-K271 HydrophobicContact CD1-CD 4.44Å |
| 264 | S | 87.2 | Confident | 81.1 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 158.8 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | A266 E267 A268 | S264-A266 VanDerWaalsContact C-N 3.33Å; S264-A266 PolarHBondContact O-N 3.4Å; S264-E267 PolarHBondContact O-N 3.07Å; S264-A268 WeakPolarHBondContact O-CB 3.41Å; S264-A268 PolarHBondContact O-N 2.87Å |
| 265 | Y | 90.7 | Very high | 82.8 | Confident | 8 Ų | 8 | 79.3 Ų | 79.3 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.2 | -50 | -179.2 | -169.6 | -85.7 | 0 | 0 | 0 | 112.1 | L205 F210 E231 S233 E236 V238 E267 A268 A269 | L205-Y265 HydrophobicContact CB-CD1 4.42Å; L205-Y265 HydrophobicContact CB-CD2 3.57Å; L205-Y265 HydrophobicContact CB-CE1 4.42Å; L205-Y265 HydrophobicContact CB-CE2 3.55Å; L205-Y265 HydrophobicContact CB-CG 4.01Å; L205-Y265 HydrophobicContact CD1-CD2 4.2Å; L205-Y265 HydrophobicContact CD2-CD2 4.05Å; L205-Y265 HydrophobicContact CD2-CG 4.05Å; L205-Y265 HydrophobicContact CG-CD2 4.15Å; F210-Y265 HydrophobicContact CE2-CD1 4.25Å; F210-Y265 AromaticContact CZ-CD1 3.59Å; F210-Y265 HydrophobicContact CZ-CD1 3.59Å; F210-Y265 HydrophobicContact CZ-CE1 4.4Å; F210-Y265 HydrophobicContact CZ-CG 4.01Å; E231-Y265 HydrophobicContact CB-CD2 4.41Å; E231-Y265 WeakPolarHBondContact OE2-CB 3.25Å; E231-Y265 PolarHBondContact OE2-N 2.95Å; S233-Y265 WeakPolarHBondContact CB-OH 3.39Å; E236-Y265 PolarHBondContact OE2-OH 3.49Å; V238-Y265 HydrophobicContact CB-CE2 3.96Å; V238-Y265 HydrophobicContact CG1-CD2 3.93Å; V238-Y265 HydrophobicContact CG1-CE2 3.81Å; Y265-E267 VanDerWaalsContact C-N 3.32Å; Y265-E267 PolarHBondContact O-N 3.38Å; Y265-A268 PolarHBondContact O-N 3.3Å; Y265-A269 HydrophobicContact CD1-CB 4.14Å; Y265-A269 HydrophobicContact CE1-CB 3.88Å; Y265-A269 VanDerWaalsContact O-CB 3.25Å; Y265-A269 WeakPolarHBondContact O-CB 3.47Å; Y265-A269 PolarHBondContact O-N 3.38Å |
| 266 | A | 89.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 51% | 0.512 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S264 Y270 | S264-A266 VanDerWaalsContact C-N 3.33Å; S264-A266 PolarHBondContact O-N 3.4Å; A266-Y270 WeakPolarHBondContact O-CB 3.45Å; A266-Y270 PolarHBondContact O-N 3.06Å |
| 267 | E | 91.7 | Very high | 86.4 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.8 | -36.8 | 177.2 | -169 | -167.2 | 150.7 | 0 | 0 | 111.8 | I263 S264 Y265 K271 | I263-E267 HydrophobicContact CG2-CB 3.67Å; I263-E267 HydrophobicContact CG2-CG 3.81Å; S264-E267 PolarHBondContact O-N 3.07Å; Y265-E267 VanDerWaalsContact C-N 3.32Å; Y265-E267 PolarHBondContact O-N 3.38Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 WeakPolarHBondContact O-CB 3.46Å; E267-K271 VanDerWaalsContact O-CG 3.26Å; E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 2.89Å; E267-K271 VanDerWaalsContact OE1-CE 3.31Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 3.38Å; E267-K271 PolarHBondContact OE1-NZ 3.16Å |
| 268 | A | 92.8 | Very high | 88 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.1 | -44 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V238 N239 I263 S264 Y265 K271 R272 | V238-A268 HydrophobicContact CG1-CB 3.71Å; N239-A268 VanDerWaalsContact OD1-CB 3.26Å; N239-A268 WeakPolarHBondContact OD1-CB 3.32Å; I263-A268 HydrophobicContact CB-CB 4.45Å; I263-A268 HydrophobicContact CG2-CB 3.86Å; S264-A268 WeakPolarHBondContact O-CB 3.41Å; S264-A268 PolarHBondContact O-N 2.87Å; Y265-A268 PolarHBondContact O-N 3.3Å; A268-K271 PolarHBondContact O-N 3.38Å; A268-R272 PolarHBondContact O-N 3.28Å |
| 269 | A | 93.2 | Very high | 89.7 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V238 Y265 K271 R272 S273 | V238-A269 HydrophobicContact CG1-CB 4.44Å; V238-A269 HydrophobicContact CG2-CB 4.1Å; Y265-A269 HydrophobicContact CD1-CB 4.14Å; Y265-A269 HydrophobicContact CE1-CB 3.88Å; Y265-A269 VanDerWaalsContact O-CB 3.25Å; Y265-A269 WeakPolarHBondContact O-CB 3.47Å; Y265-A269 PolarHBondContact O-N 3.38Å; A269-K271 PolarHBondContact O-N 3.32Å; A269-R272 PolarHBondContact O-N 2.8Å; A269-S273 WeakPolarHBondContact O-CB 3.45Å; A269-S273 PolarHBondContact O-N 2.86Å |
| 270 | Y | 94.8 | Very high | 91.3 | Very high | 134 Ų | 134 | 61.9 Ų | 61.9 | 53% | 0.525 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 174.6 | 179 | -121.2 | 0 | 0 | 0 | 112.9 | A266 S273 Q274 | A266-Y270 WeakPolarHBondContact O-CB 3.45Å; A266-Y270 PolarHBondContact O-N 3.06Å; Y270-S273 PolarHBondContact O-N 3Å; Y270-Q274 HydrophobicContact CE2-CG 4.21Å; Y270-Q274 PolarHBondContact O-N 2.87Å; Y270-Q274 VanDerWaalsContact O-N 3.08Å; Y270-Q274 PolarHBondContact O-NE2 3.27Å |
| 271 | K | 94.4 | Very high | 92.5 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 39% | 0.391 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 172.5 | -80 | 168.1 | 170.4 | 172.3 | 0 | 112.2 | I263 E267 A268 A269 V275 | I263-K271 HydrophobicContact CD1-CD 4.44Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 WeakPolarHBondContact O-CB 3.46Å; E267-K271 VanDerWaalsContact O-CG 3.26Å; E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 2.89Å; E267-K271 VanDerWaalsContact OE1-CE 3.31Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 3.38Å; E267-K271 PolarHBondContact OE1-NZ 3.16Å; A268-K271 PolarHBondContact O-N 3.38Å; A269-K271 PolarHBondContact O-N 3.32Å; K271-V275 WeakPolarHBondContact O-CG2 3.44Å; K271-V275 PolarHBondContact O-N 2.85Å |
| 272 | R | 93.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 174.9 | -175.4 | -177.6 | 177 | 87.7 | 14.2 | 111 | E236 N237 A268 A269 Q274 V275 V276 L317 | E236-R272 WeakPolarHBondContact O-CD 3.48Å; E236-R272 PolarHBondContact O-NE 2.99Å; N237-R272 PolarHBondContact ND2-NH1 3.12Å; N237-R272 PolarHBondContact O-NH1 3.37Å; A268-R272 PolarHBondContact O-N 3.28Å; A269-R272 PolarHBondContact O-N 2.8Å; R272-Q274 PolarHBondContact O-N 2.96Å; R272-V275 PolarHBondContact O-N 3.13Å; R272-V275 VanDerWaalsContact O-N 3.15Å; R272-V276 HydrophobicContact CG-CG2 4.45Å; R272-V276 WeakPolarHBondContact O-CG2 3.26Å; R272-V276 PolarHBondContact O-N 3.4Å; R272-L317 PolarHBondContact NH2-O 3.06Å |
| 273 | S | 95.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 58.1 Ų | 58.1 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 179.6 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | A269 Y270 V275 V276 D277 | A269-S273 WeakPolarHBondContact O-CB 3.45Å; A269-S273 PolarHBondContact O-N 2.86Å; Y270-S273 PolarHBondContact O-N 3Å; S273-V275 VanDerWaalsContact C-N 3.28Å; S273-V275 PolarHBondContact O-N 2.84Å; S273-V276 PolarHBondContact O-N 3.44Å; S273-V276 VanDerWaalsContact O-N 3.13Å; S273-D277 PolarHBondContact O-N 2.86Å |
| 274 | Q | 96.2 | Very high | 95 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.8 | -37.5 | 175.4 | -77.5 | 175.8 | 82.4 | 0 | 0 | 114 | Y270 R272 S278 | Y270-Q274 HydrophobicContact CE2-CG 4.21Å; Y270-Q274 PolarHBondContact O-N 2.87Å; Y270-Q274 VanDerWaalsContact O-N 3.08Å; Y270-Q274 PolarHBondContact O-NE2 3.27Å; R272-Q274 PolarHBondContact O-N 2.96Å; Q274-S278 WeakPolarHBondContact O-CB 3.46Å; Q274-S278 PolarHBondContact O-N 3.36Å |
| 275 | V | 96.3 | Very high | 95.4 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69 | -44.7 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | K271 R272 S273 S278 A279 L317 | K271-V275 WeakPolarHBondContact O-CG2 3.44Å; K271-V275 PolarHBondContact O-N 2.85Å; R272-V275 PolarHBondContact O-N 3.13Å; R272-V275 VanDerWaalsContact O-N 3.15Å; S273-V275 VanDerWaalsContact C-N 3.28Å; S273-V275 PolarHBondContact O-N 2.84Å; V275-S278 PolarHBondContact O-N 3.22Å; V275-A279 PolarHBondContact O-N 2.7Å; V275-L317 HydrophobicContact CG1-CD1 3.79Å; V275-L317 HydrophobicContact CG1-CD2 4.16Å |
| 276 | V | 97 | Very high | 95.7 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | R272 S273 S278 A279 M280 L317 V318 | R272-V276 HydrophobicContact CG-CG2 4.45Å; R272-V276 WeakPolarHBondContact O-CG2 3.26Å; R272-V276 PolarHBondContact O-N 3.4Å; S273-V276 PolarHBondContact O-N 3.44Å; S273-V276 VanDerWaalsContact O-N 3.13Å; V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 2.86Å; V276-A279 PolarHBondContact O-N 3.34Å; V276-M280 VanDerWaalsContact O-CB 3.31Å; V276-M280 WeakPolarHBondContact O-CB 3.45Å; V276-M280 PolarHBondContact O-N 3.03Å; V276-L317 HydrophobicContact CG2-CB 4.37Å; V276-V318 HydrophobicContact CG1-CG1 3.58Å; V276-V318 HydrophobicContact CG2-CG1 4.46Å |
| 277 | D | 97.4 | Very high | 96 | Very high | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.353 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -35.1 | 177 | -85.2 | -23.9 | 0 | 0 | 0 | 112.7 | S273 M280 R281 | S273-D277 PolarHBondContact O-N 2.86Å; D277-M280 WeakPolarHBondContact OD1-CE 3.13Å; D277-R281 WeakPolarHBondContact O-CB 3.17Å; D277-R281 WeakPolarHBondContact O-CG 3.49Å; D277-R281 PolarHBondContact O-N 3.08Å; D277-R281 PolarHBondContact O-NE 3.03Å |
| 278 | S | 97.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75.4 | -37 | 179.2 | -152.7 | 0 | 0 | 0 | 0 | 112.2 | Q274 V275 V276 R281 S282 | Q274-S278 WeakPolarHBondContact O-CB 3.46Å; Q274-S278 PolarHBondContact O-N 3.36Å; V275-S278 PolarHBondContact O-N 3.22Å; V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 2.86Å; S278-R281 PolarHBondContact OG-NH1 3.03Å; S278-S282 PolarHBondContact O-N 3.27Å; S278-S282 PolarHBondContact O-OG 2.85Å |
| 279 | A | 98.1 | Very high | 95.8 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V275 V276 R281 S282 F283 Y314 L317 | V275-A279 PolarHBondContact O-N 2.7Å; V276-A279 PolarHBondContact O-N 3.34Å; A279-R281 PolarHBondContact O-N 3.01Å; A279-S282 PolarHBondContact O-N 3.32Å; A279-F283 WeakPolarHBondContact O-CB 3.47Å; A279-F283 PolarHBondContact O-N 2.87Å; A279-Y314 HydrophobicContact CB-CD2 3.96Å; A279-L317 HydrophobicContact CB-CD1 3.64Å |
| 280 | M | 98.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 22% | 0.217 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.6 | -47.9 | 176.7 | -178.3 | 179.2 | 56 | 0 | 0 | 111.6 | V276 D277 S282 F283 V284 Y314 K326 | V276-M280 VanDerWaalsContact O-CB 3.31Å; V276-M280 WeakPolarHBondContact O-CB 3.45Å; V276-M280 PolarHBondContact O-N 3.03Å; D277-M280 WeakPolarHBondContact OD1-CE 3.13Å; M280-S282 PolarHBondContact O-N 2.57Å; M280-F283 PolarHBondContact O-N 3.22Å; M280-V284 HydrophobicContact CG-CG2 3.93Å; M280-V284 VanDerWaalsContact O-CB 3.28Å; M280-V284 WeakPolarHBondContact O-CB 3.46Å; M280-V284 WeakPolarHBondContact O-CG2 3.39Å; M280-V284 PolarHBondContact O-N 3.29Å; M280-Y314 HydrophobicContact CB-CD2 4.28Å; M280-Y314 HydrophobicContact CB-CE2 3.62Å; M280-Y314 HydrophobicContact CG-CE2 4.22Å; M280-K326 HydrophobicContact SD-CD 4.19Å; M280-K326 VanDerWaalsContact SD-CE 3.51Å |
| 281 | R | 98 | Very high | 95.4 | Very high | 146 Ų | 146 | 61.7 Ų | 61.7 | 55% | 0.551 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.4 | -34.1 | 178 | -81.3 | 179 | -82.7 | 104.5 | -3.2 | 112.9 | D277 S278 A279 R285 | D277-R281 WeakPolarHBondContact O-CB 3.17Å; D277-R281 WeakPolarHBondContact O-CG 3.49Å; D277-R281 PolarHBondContact O-N 3.08Å; D277-R281 PolarHBondContact O-NE 3.03Å; S278-R281 PolarHBondContact OG-NH1 3.03Å; A279-R281 PolarHBondContact O-N 3.01Å; R281-R285 VanDerWaalsContact O-CB 3.3Å; R281-R285 WeakPolarHBondContact O-CB 3.42Å; R281-R285 PolarHBondContact O-N 3.35Å; R281-R285 VanDerWaalsContact O-N 3.15Å |
| 282 | S | 97.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75.6 | -46.2 | 179 | -49.8 | 0 | 0 | 0 | 0 | 111 | S278 A279 M280 R285 L286 | S278-S282 PolarHBondContact O-N 3.27Å; S278-S282 PolarHBondContact O-OG 2.85Å; A279-S282 PolarHBondContact O-N 3.32Å; M280-S282 PolarHBondContact O-N 2.57Å; S282-R285 WeakPolarHBondContact O-CB 3.42Å; S282-R285 PolarHBondContact O-N 2.85Å; S282-L286 PolarHBondContact O-N 2.73Å |
| 283 | F | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -51.2 | 172.6 | 175.3 | -98.8 | 0 | 0 | 0 | 112.7 | A279 M280 R285 L286 V287 W298 F301 V311 Y314 A323 K326 F327 | A279-F283 WeakPolarHBondContact O-CB 3.47Å; A279-F283 PolarHBondContact O-N 2.87Å; M280-F283 PolarHBondContact O-N 3.22Å; F283-R285 VanDerWaalsContact C-N 3.29Å; F283-R285 PolarHBondContact O-N 3.42Å; F283-L286 WeakPolarHBondContact O-CB 3.5Å; F283-L286 PolarHBondContact O-N 3.37Å; F283-L286 VanDerWaalsContact O-N 3.07Å; F283-V287 HydrophobicContact CE1-CG2 4.23Å; F283-V287 HydrophobicContact CZ-CG2 4.27Å; F283-V287 WeakPolarHBondContact O-CG2 3.48Å; F283-V287 PolarHBondContact O-N 3.09Å; F283-W298 HydrophobicContact CE2-CZ3 4.42Å; F283-W298 HydrophobicContact CZ-CH2 4.46Å; F283-W298 HydrophobicContact CZ-CZ3 4.05Å; F283-F301 AromaticContact CE2-CE1 3.98Å; F283-F301 HydrophobicContact CE2-CE1 3.98Å; F283-F301 HydrophobicContact CE2-CZ 4.35Å; F283-F301 HydrophobicContact CZ-CE1 4.48Å; F283-V311 HydrophobicContact CD2-CG2 4.13Å; F283-V311 HydrophobicContact CE2-CG1 4.43Å; F283-V311 HydrophobicContact CE2-CG2 4.29Å; F283-Y314 HydrophobicContact CB-CD1 3.78Å; F283-Y314 HydrophobicContact CB-CE1 4.44Å; F283-Y314 HydrophobicContact CB-CG 3.99Å; F283-Y314 AromaticContact CD1-CD1 3.46Å; F283-Y314 HydrophobicContact CD1-CD1 3.46Å; F283-Y314 VanDerWaalsContact CD1-CD1 3.46Å; F283-Y314 AromaticContact CD1-CE1 3.5Å; F283-Y314 HydrophobicContact CD1-CE1 3.5Å; F283-Y314 VanDerWaalsContact CD1-CE1 3.5Å; F283-Y314 HydrophobicContact CD1-CG 4.46Å; F283-Y314 AromaticContact CD2-CD1 3.71Å; F283-Y314 HydrophobicContact CD2-CD1 3.71Å; F283-Y314 HydrophobicContact CD2-CG 4.42Å; F283-Y314 AromaticContact CE1-CD1 3.85Å; F283-Y314 HydrophobicContact CE1-CD1 3.85Å; F283-Y314 AromaticContact CE1-CE1 3.74Å; F283-Y314 HydrophobicContact CE1-CE1 3.74Å; F283-Y314 HydrophobicContact CE2-CD1 4.07Å; F283-Y314 AromaticContact CG-CD1 3.37Å; F283-Y314 HydrophobicContact CG-CD1 3.37Å; F283-Y314 AromaticContact CG-CE1 3.93Å; F283-Y314 HydrophobicContact CG-CE1 3.93Å; F283-Y314 HydrophobicContact CG-CG 4.07Å; F283-Y314 HydrophobicContact CZ-CD1 4.12Å; F283-Y314 HydrophobicContact CZ-CE1 4.34Å; F283-A323 HydrophobicContact CZ-CB 4.3Å; F283-A323 WeakPolarHBondContact CZ-O 3.32Å; F283-K326 HydrophobicContact CD1-CG 4.4Å; F283-K326 HydrophobicContact CE1-CB 4.23Å; F283-K326 HydrophobicContact CE1-CG 4.21Å; F283-F327 HydrophobicContact CE1-CB 4.31Å; F283-F327 HydrophobicContact CZ-CB 4.01Å |
| 284 | V | 97.2 | Very high | 94.2 | Very high | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | M280 V287 F288 K326 V330 | M280-V284 HydrophobicContact CG-CG2 3.93Å; M280-V284 VanDerWaalsContact O-CB 3.28Å; M280-V284 WeakPolarHBondContact O-CB 3.46Å; M280-V284 WeakPolarHBondContact O-CG2 3.39Å; M280-V284 PolarHBondContact O-N 3.29Å; V284-V287 PolarHBondContact O-N 3.13Å; V284-F288 HydrophobicContact CG1-CD2 3.79Å; V284-F288 HydrophobicContact CG1-CE2 3.89Å; V284-F288 WeakPolarHBondContact O-CD2 3.31Å; V284-F288 PolarHBondContact O-N 2.76Å; V284-K326 HydrophobicContact CG2-CG 4.26Å; V284-V330 HydrophobicContact CG1-CG1 4.27Å; V284-V330 HydrophobicContact CG1-CG2 4.05Å; V284-V330 HydrophobicContact CG2-CG2 4.04Å |
| 285 | R | 96 | Very high | 94 | Very high | 185 Ų | 185 | 53.8 Ų | 53.8 | 70% | 0.698 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 174.3 | -178.1 | -178.4 | 179.8 | -172.1 | -0 | 111.8 | R281 S282 F283 F288 I289 | R281-R285 VanDerWaalsContact O-CB 3.3Å; R281-R285 WeakPolarHBondContact O-CB 3.42Å; R281-R285 PolarHBondContact O-N 3.35Å; R281-R285 VanDerWaalsContact O-N 3.15Å; S282-R285 WeakPolarHBondContact O-CB 3.42Å; S282-R285 PolarHBondContact O-N 2.85Å; F283-R285 VanDerWaalsContact C-N 3.29Å; F283-R285 PolarHBondContact O-N 3.42Å; R285-F288 PolarHBondContact O-N 3.47Å; R285-I289 WeakPolarHBondContact O-CG1 3.47Å; R285-I289 PolarHBondContact O-N 3.17Å |
| 286 | L | 96.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.3 | -178.3 | 68.3 | 0 | 0 | 0 | 111.5 | S282 F283 F288 I289 S290 F301 Y305 H308 V311 | S282-L286 PolarHBondContact O-N 2.73Å; F283-L286 WeakPolarHBondContact O-CB 3.5Å; F283-L286 PolarHBondContact O-N 3.37Å; F283-L286 VanDerWaalsContact O-N 3.07Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.98Å; L286-I289 WeakPolarHBondContact O-CG1 3.46Å; L286-I289 PolarHBondContact O-N 3.37Å; L286-S290 WeakPolarHBondContact O-CB 3.2Å; L286-S290 PolarHBondContact O-N 3.49Å; L286-S290 PolarHBondContact O-OG 3.22Å; L286-F301 HydrophobicContact CD2-CZ 4.25Å; L286-Y305 HydrophobicContact CD1-CD1 4.19Å; L286-Y305 HydrophobicContact CD1-CE1 4.11Å; L286-Y305 HydrophobicContact CD2-CD1 4.14Å; L286-Y305 HydrophobicContact CD2-CG 4.48Å; L286-Y305 HydrophobicContact CG-CD1 4.4Å; L286-H308 HydrophobicContact CD2-CB 4.22Å; L286-H308 WeakPolarHBondContact CD2-ND1 3.29Å; L286-V311 HydrophobicContact CD2-CG2 3.49Å; L286-V311 VanDerWaalsContact CD2-CG2 3.49Å |
| 287 | V | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | F283 V284 I289 L295 F301 F327 V330 V331 R334 | F283-V287 HydrophobicContact CE1-CG2 4.23Å; F283-V287 HydrophobicContact CZ-CG2 4.27Å; F283-V287 WeakPolarHBondContact O-CG2 3.48Å; F283-V287 PolarHBondContact O-N 3.09Å; V284-V287 PolarHBondContact O-N 3.13Å; V287-I289 PolarHBondContact O-N 2.61Å; V287-L295 HydrophobicContact CG1-CD2 3.97Å; V287-L295 WeakPolarHBondContact O-CD1 3.47Å; V287-F301 HydrophobicContact CG2-CE2 4Å; V287-F301 HydrophobicContact CG2-CZ 3.83Å; V287-F327 HydrophobicContact CG1-CD2 3.96Å; V287-F327 HydrophobicContact CG1-CE2 4.32Å; V287-F327 HydrophobicContact CG2-CD2 3.91Å; V287-V330 HydrophobicContact CB-CG1 3.98Å; V287-V330 HydrophobicContact CG1-CB 4.26Å; V287-V330 HydrophobicContact CG1-CG1 3.64Å; V287-V331 HydrophobicContact CG1-CG2 3.77Å; V287-R334 PolarHBondContact O-NH1 2.91Å |
| 288 | F | 90.1 | Very high | 93.4 | Very high | 83 Ų | 83 | 52 Ų | 52 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.7 | -30.5 | 175.7 | -92.6 | -67.7 | 0 | 0 | 0 | 114.8 | V284 R285 L286 V330 E333 R334 | V284-F288 HydrophobicContact CG1-CD2 3.79Å; V284-F288 HydrophobicContact CG1-CE2 3.89Å; V284-F288 WeakPolarHBondContact O-CD2 3.31Å; V284-F288 PolarHBondContact O-N 2.76Å; R285-F288 PolarHBondContact O-N 3.47Å; L286-F288 VanDerWaalsContact C-N 3.31Å; L286-F288 PolarHBondContact O-N 2.98Å; F288-V330 HydrophobicContact CD2-CG1 3.81Å; F288-V330 HydrophobicContact CE2-CG1 3.65Å; F288-V330 HydrophobicContact CG-CG1 4.47Å; F288-V330 HydrophobicContact CZ-CG1 4.18Å; F288-E333 HydrophobicContact CZ-CG 4.43Å; F288-R334 HydrophobicContact CD1-CB 4.23Å; F288-R334 HydrophobicContact CD1-CG 4.14Å; F288-R334 HydrophobicContact CE1-CB 3.84Å; F288-R334 HydrophobicContact CE1-CG 4.14Å; F288-R334 PolarHBondContact O-NH1 3.47Å |
| 289 | I | 89.6 | Confident | 93.3 | Very high | 117 Ų | 117 | 54.2 Ų | 54.2 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -96.7 | -7.1 | 177.9 | 70.4 | -179.6 | 0 | 0 | 0 | 114 | R285 L286 V287 | R285-I289 WeakPolarHBondContact O-CG1 3.47Å; R285-I289 PolarHBondContact O-N 3.17Å; L286-I289 WeakPolarHBondContact O-CG1 3.46Å; L286-I289 PolarHBondContact O-N 3.37Å; V287-I289 PolarHBondContact O-N 2.61Å |
| 290 | S | 91.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -62.2 | 146.1 | 178.9 | -67.4 | 0 | 0 | 0 | 0 | 111.2 | L286 Y305 R334 | L286-S290 WeakPolarHBondContact O-CB 3.2Å; L286-S290 PolarHBondContact O-N 3.49Å; L286-S290 PolarHBondContact O-OG 3.22Å; S290-Y305 PolarHBondContact OG-OH 3.38Å; S290-R334 PolarHBondContact O-NH1 2.61Å; S290-R334 PolarHBondContact O-NH2 2.98Å |
| 291 | L | 88.3 | Confident | 93.2 | Very high | 92 Ų | 92 | 54 Ų | 54 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | trans | -63.6 | 133.6 | 169.5 | -64.7 | 178.8 | 0 | 0 | 0 | 108.4 | E293 F294 | L291-E293 PolarHBondContact O-N 3.41Å; L291-E293 VanDerWaalsContact O-N 3.16Å; L291-F294 HydrophobicContact CB-CD2 3.96Å; L291-F294 HydrophobicContact CB-CE2 4.11Å; L291-F294 HydrophobicContact CD1-CE2 4.28Å; L291-F294 PolarHBondContact O-N 2.9Å; L291-F294 VanDerWaalsContact O-N 3.08Å | ||
| 292 | P | 83.9 | Confident | 93.1 | Very high | 15 Ų | 15 | 49 Ų | 49 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -74.6 | -10 | -166.6 | -11.6 | 28.2 | 0 | 0 | 0 | 113.8 | F294 L295 L398 | P292-F294 PolarHBondContact O-N 2.93Å; P292-L295 HydrophobicContact CB-CD1 4.45Å; P292-L295 WeakPolarHBondContact O-CA 3.36Å; P292-L295 WeakPolarHBondContact O-CB 3.36Å; P292-L295 PolarHBondContact O-N 3.37Å; P292-L398 HydrophobicContact CB-CD1 3.87Å; P292-L398 HydrophobicContact CB-CD2 3.6Å; P292-L398 HydrophobicContact CB-CG 4.25Å; P292-L398 HydrophobicContact CG-CB 4.45Å; P292-L398 HydrophobicContact CG-CD1 4.47Å; P292-L398 HydrophobicContact CG-CD2 3.92Å; P292-L398 HydrophobicContact CG-CG 4.5Å |
| 293 | E | 85.2 | Confident | 93 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -55.1 | -35.1 | 168.4 | -62 | 145.7 | -119.4 | 0 | 0 | 110.5 | L291 L295 T296 L398 | L291-E293 PolarHBondContact O-N 3.41Å; L291-E293 VanDerWaalsContact O-N 3.16Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-T296 PolarHBondContact O-OG1 3.37Å; E293-L398 HydrophobicContact CB-CD1 4.35Å; E293-L398 HydrophobicContact CG-CD1 3.73Å; E293-L398 VanDerWaalsContact N-CD1 3.31Å |
| 294 | F | 90.7 | Very high | 92.8 | Very high | 48 Ų | 48 | 57 Ų | 57 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -90.8 | 10.3 | 176.3 | -50.3 | -61.5 | 0 | 0 | 0 | 113.4 | L291 P292 T300 F301 R304 Y305 | L291-F294 HydrophobicContact CB-CD2 3.96Å; L291-F294 HydrophobicContact CB-CE2 4.11Å; L291-F294 HydrophobicContact CD1-CE2 4.28Å; L291-F294 PolarHBondContact O-N 2.9Å; L291-F294 VanDerWaalsContact O-N 3.08Å; P292-F294 PolarHBondContact O-N 2.93Å; F294-T300 HydrophobicContact CD1-CG2 4.3Å; F294-F301 WeakPolarHBondContact O-CA 3.16Å; F294-F301 VanDerWaalsContact O-CB 3.25Å; F294-F301 WeakPolarHBondContact O-CB 3.41Å; F294-F301 PolarHBondContact O-N 3.49Å; F294-R304 HydrophobicContact CB-CB 4.24Å; F294-R304 HydrophobicContact CD1-CB 3.56Å; F294-R304 HydrophobicContact CD1-CG 3.81Å; F294-R304 HydrophobicContact CD2-CB 4.34Å; F294-R304 HydrophobicContact CD2-CG 3.81Å; F294-R304 HydrophobicContact CE1-CB 3.98Å; F294-R304 HydrophobicContact CE1-CG 3.9Å; F294-R304 HydrophobicContact CE2-CG 3.9Å; F294-R304 HydrophobicContact CG-CB 3.78Å; F294-R304 HydrophobicContact CG-CG 3.78Å; F294-R304 HydrophobicContact CZ-CG 3.95Å; F294-Y305 HydrophobicContact CB-CD2 4.43Å; F294-Y305 HydrophobicContact CB-CE2 3.77Å; F294-Y305 HydrophobicContact CD2-CE2 4.07Å; F294-Y305 HydrophobicContact CG-CE2 4.12Å |
| 295 | L | 92 | Very high | 92.8 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -114.5 | 13.4 | 178.1 | -58.5 | -176.2 | 0 | 0 | 0 | 113 | V287 P292 E293 F301 F327 V331 | V287-L295 HydrophobicContact CG1-CD2 3.97Å; V287-L295 WeakPolarHBondContact O-CD1 3.47Å; P292-L295 HydrophobicContact CB-CD1 4.45Å; P292-L295 WeakPolarHBondContact O-CA 3.36Å; P292-L295 WeakPolarHBondContact O-CB 3.36Å; P292-L295 PolarHBondContact O-N 3.37Å; E293-L295 VanDerWaalsContact C-N 3.33Å; L295-F301 HydrophobicContact CD2-CD2 3.91Å; L295-F301 HydrophobicContact CD2-CE2 4.44Å; L295-F327 HydrophobicContact CD2-CD2 4.46Å; L295-F327 HydrophobicContact CD2-CE2 3.51Å; L295-F327 HydrophobicContact CD2-CZ 4.13Å; L295-V331 HydrophobicContact CB-CG1 4.41Å; L295-V331 HydrophobicContact CB-CG2 4.21Å; L295-V331 HydrophobicContact CD1-CG2 4.45Å; L295-V331 HydrophobicContact CD2-CG2 4.08Å; L295-V331 HydrophobicContact CG-CG2 4.49Å |
| 296 | T | 89.1 | Confident | 92.8 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 31% | 0.307 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -59.8 | -46.6 | 173 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | E293 T300 L394 | E293-T296 PolarHBondContact O-OG1 3.37Å; T296-T300 VanDerWaalsContact OG1-CB 3.26Å; T296-T300 WeakPolarHBondContact OG1-CB 3.36Å; T296-T300 PolarHBondContact OG1-OG1 3.42Å; T296-L394 HydrophobicContact CG2-CB 4.02Å; T296-L394 HydrophobicContact CG2-CD2 3.96Å |
| 297 | N | 92.5 | Very high | 92.7 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | trans | -158.5 | 171.5 | 176.8 | 54.3 | 37.9 | 0 | 0 | 0 | 110.4 | E299 T300 F301 | N297-E299 VanDerWaalsContact C-N 3.25Å; N297-E299 PolarHBondContact O-N 2.92Å; N297-E299 PolarHBondContact OD1-N 3.25Å; N297-T300 PolarHBondContact O-N 2.73Å; N297-T300 VanDerWaalsContact OD1-CB 3.29Å; N297-T300 WeakPolarHBondContact OD1-CB 3.14Å; N297-T300 PolarHBondContact OD1-N 2.73Å; N297-T300 PolarHBondContact OD1-OG1 2.59Å; N297-F301 PolarHBondContact O-N 3.05Å; N297-F301 VanDerWaalsContact O-N 3.12Å | ||
| 298 | W | 95.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -37.3 | 179.9 | 175.1 | -111.9 | 0 | 0 | 0 | 112.3 | F283 F301 M302 I315 A323 R324 F327 | F283-W298 HydrophobicContact CE2-CZ3 4.42Å; F283-W298 HydrophobicContact CZ-CH2 4.46Å; F283-W298 HydrophobicContact CZ-CZ3 4.05Å; W298-F301 HydrophobicContact CE3-CD1 4.1Å; W298-F301 AromaticContact CZ3-CD1 3.9Å; W298-F301 HydrophobicContact CZ3-CD1 3.9Å; W298-F301 HydrophobicContact CZ3-CE1 4.18Å; W298-F301 PolarHBondContact O-N 3.29Å; W298-M302 HydrophobicContact CD2-CG 3.86Å; W298-M302 HydrophobicContact CE3-CG 4.21Å; W298-M302 HydrophobicContact CG-CG 4.43Å; W298-M302 HydrophobicContact CH2-CG 4.03Å; W298-M302 HydrophobicContact CH2-SD 3.65Å; W298-M302 HydrophobicContact CZ2-CE 4.25Å; W298-M302 HydrophobicContact CZ2-CG 3.64Å; W298-M302 HydrophobicContact CZ2-SD 3.66Å; W298-M302 HydrophobicContact CZ3-CG 4.28Å; W298-M302 HydrophobicContact CZ3-SD 4.18Å; W298-M302 WeakPolarHBondContact O-CB 3.27Å; W298-M302 VanDerWaalsContact O-CG 3.3Å; W298-M302 WeakPolarHBondContact O-CG 3.43Å; W298-M302 PolarHBondContact O-N 3.15Å; W298-I315 HydrophobicContact CH2-CD1 4.13Å; W298-I315 HydrophobicContact CZ2-CD1 4.17Å; W298-A323 HydrophobicContact CH2-CB 3.76Å; W298-A323 HydrophobicContact CZ2-CB 4.39Å; W298-R324 HydrophobicContact CB-CG 4.03Å; W298-R324 HydrophobicContact CD2-CB 3.8Å; W298-R324 HydrophobicContact CD2-CG 3.97Å; W298-R324 HydrophobicContact CE3-CB 4.18Å; W298-R324 HydrophobicContact CE3-CG 4.47Å; W298-R324 HydrophobicContact CG-CB 4.1Å; W298-R324 HydrophobicContact CG-CG 3.77Å; W298-R324 HydrophobicContact CZ2-CB 4.3Å; W298-F327 HydrophobicContact CB-CD1 4.39Å; W298-F327 HydrophobicContact CB-CE1 4.33Å; W298-F327 HydrophobicContact CE3-CB 3.78Å; W298-F327 AromaticContact CE3-CD1 3.86Å; W298-F327 HydrophobicContact CE3-CD1 3.86Å; W298-F327 HydrophobicContact CE3-CD2 4.3Å; W298-F327 AromaticContact CE3-CG 3.74Å; W298-F327 HydrophobicContact CE3-CG 3.74Å; W298-F327 HydrophobicContact CZ3-CB 3.78Å; W298-F327 HydrophobicContact CZ3-CG 4.11Å |
| 299 | E | 95.8 | Very high | 93.1 | Very high | 100 Ų | 100 | 61.8 Ų | 61.8 | 47% | 0.467 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | -178.2 | -67 | 64.6 | -148.2 | 0 | 0 | 111.4 | N297 M302 G303 R324 | N297-E299 VanDerWaalsContact C-N 3.25Å; N297-E299 PolarHBondContact O-N 2.92Å; N297-E299 PolarHBondContact OD1-N 3.25Å; E299-M302 PolarHBondContact O-N 2.94Å; E299-G303 PolarHBondContact O-N 3.09Å; E299-R324 IonicContact OE1-CZ 2.91Å; E299-R324 IonicContact OE1-NH1 3.78Å; E299-R324 PolarHBondContact OE1-NH1 3.05Å; E299-R324 IonicContact OE1-NH2 2.74Å; E299-R324 IonicContact OE2-NH1 3.99Å; E299-R324 IonicContact OE2-NH2 2.83Å |
| 300 | T | 95.5 | Very high | 93.5 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.3 | -38.8 | 178.2 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | F294 T296 N297 G303 R304 | F294-T300 HydrophobicContact CD1-CG2 4.3Å; T296-T300 VanDerWaalsContact OG1-CB 3.26Å; T296-T300 WeakPolarHBondContact OG1-CB 3.36Å; T296-T300 PolarHBondContact OG1-OG1 3.42Å; N297-T300 PolarHBondContact O-N 2.73Å; N297-T300 VanDerWaalsContact OD1-CB 3.29Å; N297-T300 WeakPolarHBondContact OD1-CB 3.14Å; N297-T300 PolarHBondContact OD1-N 2.73Å; N297-T300 PolarHBondContact OD1-OG1 2.59Å; T300-G303 PolarHBondContact O-N 3.22Å; T300-R304 PolarHBondContact O-N 2.77Å |
| 301 | F | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 172.1 | 178.2 | -103.8 | 0 | 0 | 0 | 111.4 | F283 L286 V287 F294 L295 N297 W298 G303 R304 Y305 V311 F327 | F283-F301 AromaticContact CE2-CE1 3.98Å; F283-F301 HydrophobicContact CE2-CE1 3.98Å; F283-F301 HydrophobicContact CE2-CZ 4.35Å; F283-F301 HydrophobicContact CZ-CE1 4.48Å; L286-F301 HydrophobicContact CD2-CZ 4.25Å; V287-F301 HydrophobicContact CG2-CE2 4Å; V287-F301 HydrophobicContact CG2-CZ 3.83Å; F294-F301 WeakPolarHBondContact O-CA 3.16Å; F294-F301 VanDerWaalsContact O-CB 3.25Å; F294-F301 WeakPolarHBondContact O-CB 3.41Å; F294-F301 PolarHBondContact O-N 3.49Å; L295-F301 HydrophobicContact CD2-CD2 3.91Å; L295-F301 HydrophobicContact CD2-CE2 4.44Å; N297-F301 PolarHBondContact O-N 3.05Å; N297-F301 VanDerWaalsContact O-N 3.12Å; W298-F301 HydrophobicContact CE3-CD1 4.1Å; W298-F301 AromaticContact CZ3-CD1 3.9Å; W298-F301 HydrophobicContact CZ3-CD1 3.9Å; W298-F301 HydrophobicContact CZ3-CE1 4.18Å; W298-F301 PolarHBondContact O-N 3.29Å; F301-G303 VanDerWaalsContact C-N 3.33Å; F301-G303 PolarHBondContact O-N 3.35Å; F301-R304 PolarHBondContact O-N 3.3Å; F301-R304 VanDerWaalsContact O-N 3.1Å; F301-Y305 AromaticContact CD2-CD2 3.44Å; F301-Y305 HydrophobicContact CD2-CD2 3.44Å; F301-Y305 VanDerWaalsContact CD2-CD2 3.44Å; F301-Y305 HydrophobicContact CD2-CE2 4.02Å; F301-Y305 HydrophobicContact CD2-CG 4.27Å; F301-Y305 AromaticContact CE2-CD2 3.42Å; F301-Y305 HydrophobicContact CE2-CD2 3.42Å; F301-Y305 VanDerWaalsContact CE2-CD2 3.42Å; F301-Y305 HydrophobicContact CE2-CE2 4.02Å; F301-Y305 AromaticContact CE2-CG 3.87Å; F301-Y305 HydrophobicContact CE2-CG 3.87Å; F301-Y305 HydrophobicContact CG-CD2 4.25Å; F301-Y305 HydrophobicContact CZ-CD2 4.21Å; F301-Y305 HydrophobicContact CZ-CG 4.24Å; F301-Y305 WeakPolarHBondContact O-CB 3.38Å; F301-Y305 WeakPolarHBondContact O-CD2 3.47Å; F301-Y305 PolarHBondContact O-N 2.9Å; F301-V311 HydrophobicContact CE1-CG1 4.44Å; F301-V311 HydrophobicContact CE1-CG2 3.98Å; F301-V311 HydrophobicContact CZ-CG2 3.91Å; F301-F327 HydrophobicContact CB-CD2 4.19Å; F301-F327 HydrophobicContact CB-CE2 3.39Å; F301-F327 HydrophobicContact CB-CZ 3.63Å; F301-F327 AromaticContact CD1-CD2 3.85Å; F301-F327 HydrophobicContact CD1-CD2 3.85Å; F301-F327 AromaticContact CD1-CE2 3.9Å; F301-F327 HydrophobicContact CD1-CE2 3.9Å; F301-F327 HydrophobicContact CD2-CD2 4.07Å; F301-F327 AromaticContact CD2-CE2 3.56Å; F301-F327 HydrophobicContact CD2-CE2 3.56Å; F301-F327 HydrophobicContact CE1-CD2 4.26Å; F301-F327 HydrophobicContact CE2-CD2 4.45Å; F301-F327 HydrophobicContact CE2-CE2 4.31Å; F301-F327 AromaticContact CG-CD2 3.76Å; F301-F327 HydrophobicContact CG-CD2 3.76Å; F301-F327 AromaticContact CG-CE2 3.31Å; F301-F327 HydrophobicContact CG-CE2 3.31Å; F301-F327 HydrophobicContact CG-CZ 4.09Å |
| 302 | M | 96.6 | Very high | 94.2 | Very high | 40 Ų | 40 | 56.8 Ų | 56.8 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 178.7 | -71.2 | -60.7 | -73.1 | 0 | 0 | 112.1 | W298 E299 R304 Y305 S306 V311 I315 | W298-M302 HydrophobicContact CD2-CG 3.86Å; W298-M302 HydrophobicContact CE3-CG 4.21Å; W298-M302 HydrophobicContact CG-CG 4.43Å; W298-M302 HydrophobicContact CH2-CG 4.03Å; W298-M302 HydrophobicContact CH2-SD 3.65Å; W298-M302 HydrophobicContact CZ2-CE 4.25Å; W298-M302 HydrophobicContact CZ2-CG 3.64Å; W298-M302 HydrophobicContact CZ2-SD 3.66Å; W298-M302 HydrophobicContact CZ3-CG 4.28Å; W298-M302 HydrophobicContact CZ3-SD 4.18Å; W298-M302 WeakPolarHBondContact O-CB 3.27Å; W298-M302 VanDerWaalsContact O-CG 3.3Å; W298-M302 WeakPolarHBondContact O-CG 3.43Å; W298-M302 PolarHBondContact O-N 3.15Å; E299-M302 PolarHBondContact O-N 2.94Å; M302-R304 PolarHBondContact O-N 3.26Å; M302-Y305 PolarHBondContact O-N 3.35Å; M302-S306 WeakPolarHBondContact O-CB 3.44Å; M302-S306 PolarHBondContact O-N 3.02Å; M302-S306 PolarHBondContact O-OG 3.21Å; M302-V311 HydrophobicContact CE-CG1 4.13Å; M302-V311 HydrophobicContact SD-CG1 3.66Å; M302-I315 HydrophobicContact CE-CD1 3.5Å; M302-I315 HydrophobicContact SD-CD1 4.04Å |
| 303 | G | 95.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 60 Ų | 60 | 69% | 0.691 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.1 | -32.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E299 T300 F301 | E299-G303 PolarHBondContact O-N 3.09Å; T300-G303 PolarHBondContact O-N 3.22Å; F301-G303 VanDerWaalsContact C-N 3.33Å; F301-G303 PolarHBondContact O-N 3.35Å |
| 304 | R | 95.4 | Very high | 95.4 | Very high | 139 Ų | 139 | 57.3 Ų | 57.3 | 53% | 0.525 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -95.1 | -34.9 | 177.5 | -175 | 64.3 | -168 | 90.8 | -10.3 | 114.9 | F294 T300 F301 M302 | F294-R304 HydrophobicContact CB-CB 4.24Å; F294-R304 HydrophobicContact CD1-CB 3.56Å; F294-R304 HydrophobicContact CD1-CG 3.81Å; F294-R304 HydrophobicContact CD2-CB 4.34Å; F294-R304 HydrophobicContact CD2-CG 3.81Å; F294-R304 HydrophobicContact CE1-CB 3.98Å; F294-R304 HydrophobicContact CE1-CG 3.9Å; F294-R304 HydrophobicContact CE2-CG 3.9Å; F294-R304 HydrophobicContact CG-CB 3.78Å; F294-R304 HydrophobicContact CG-CG 3.78Å; F294-R304 HydrophobicContact CZ-CG 3.95Å; T300-R304 PolarHBondContact O-N 2.77Å; F301-R304 PolarHBondContact O-N 3.3Å; F301-R304 VanDerWaalsContact O-N 3.1Å; M302-R304 PolarHBondContact O-N 3.26Å |
| 305 | Y | 96.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 13% | 0.125 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -121.3 | 2.1 | -165.4 | -62.5 | -79.2 | 0 | 0 | 0 | 115.2 | L286 S290 F294 F301 M302 H307 H308 | L286-Y305 HydrophobicContact CD1-CD1 4.19Å; L286-Y305 HydrophobicContact CD1-CE1 4.11Å; L286-Y305 HydrophobicContact CD2-CD1 4.14Å; L286-Y305 HydrophobicContact CD2-CG 4.48Å; L286-Y305 HydrophobicContact CG-CD1 4.4Å; S290-Y305 PolarHBondContact OG-OH 3.38Å; F294-Y305 HydrophobicContact CB-CD2 4.43Å; F294-Y305 HydrophobicContact CB-CE2 3.77Å; F294-Y305 HydrophobicContact CD2-CE2 4.07Å; F294-Y305 HydrophobicContact CG-CE2 4.12Å; F301-Y305 AromaticContact CD2-CD2 3.44Å; F301-Y305 HydrophobicContact CD2-CD2 3.44Å; F301-Y305 VanDerWaalsContact CD2-CD2 3.44Å; F301-Y305 HydrophobicContact CD2-CE2 4.02Å; F301-Y305 HydrophobicContact CD2-CG 4.27Å; F301-Y305 AromaticContact CE2-CD2 3.42Å; F301-Y305 HydrophobicContact CE2-CD2 3.42Å; F301-Y305 VanDerWaalsContact CE2-CD2 3.42Å; F301-Y305 HydrophobicContact CE2-CE2 4.02Å; F301-Y305 AromaticContact CE2-CG 3.87Å; F301-Y305 HydrophobicContact CE2-CG 3.87Å; F301-Y305 HydrophobicContact CG-CD2 4.25Å; F301-Y305 HydrophobicContact CZ-CD2 4.21Å; F301-Y305 HydrophobicContact CZ-CG 4.24Å; F301-Y305 WeakPolarHBondContact O-CB 3.38Å; F301-Y305 WeakPolarHBondContact O-CD2 3.47Å; F301-Y305 PolarHBondContact O-N 2.9Å; M302-Y305 PolarHBondContact O-N 3.35Å; Y305-H307 PolarHBondContact O-N 3.13Å; Y305-H307 VanDerWaalsContact O-N 3.15Å; Y305-H308 WeakPolarHBondContact O-CB 3.49Å; Y305-H308 PolarHBondContact O-N 3.01Å |
| 306 | S | 95.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -34.5 | 177.5 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | M302 V312 | M302-S306 WeakPolarHBondContact O-CB 3.44Å; M302-S306 PolarHBondContact O-N 3.02Å; M302-S306 PolarHBondContact O-OG 3.21Å; S306-V312 WeakPolarHBondContact O-CG2 3.4Å |
| 307 | H | 95.4 | Very high | 96.2 | Very high | 182 Ų | 182 | 59.3 Ų | 59.3 | 84% | 0.843 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -2 | 176.5 | -54.8 | -51.2 | 0 | 0 | 0 | 114.4 | Y305 | Y305-H307 PolarHBondContact O-N 3.13Å; Y305-H307 VanDerWaalsContact O-N 3.15Å |
| 308 | H | 97.1 | Very high | 96.3 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | trans | -75.6 | 129.5 | -179.1 | -168.3 | -84.6 | 0 | 0 | 0 | 110.2 | L286 Y305 D310 V311 V312 | L286-H308 HydrophobicContact CD2-CB 4.22Å; L286-H308 WeakPolarHBondContact CD2-ND1 3.29Å; Y305-H308 WeakPolarHBondContact O-CB 3.49Å; Y305-H308 PolarHBondContact O-N 3.01Å; H308-D310 VanDerWaalsContact C-N 3.25Å; H308-D310 IonicContact CE1-OD2 2.68Å; H308-D310 PolarHBondContact CE1-OD2 3.47Å; H308-D310 PolarHBondContact ND1-N 3.24Å; H308-D310 PolarHBondContact O-N 3.27Å; H308-D310 VanDerWaalsContact O-N 3.13Å; H308-V311 HydrophobicContact CB-CB 4.5Å; H308-V311 HydrophobicContact CB-CG2 4.17Å; H308-V311 WeakPolarHBondContact O-CA 3.39Å; H308-V311 WeakPolarHBondContact O-CB 3.34Å; H308-V311 PolarHBondContact O-N 3.24Å; H308-V312 PolarHBondContact O-N 3.36Å | ||
| 309 | T | 96.8 | Very high | 96.3 | Very high | 88 Ų | 88 | 56 Ų | 56 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.6 | -39.4 | -173.7 | 43.5 | 0 | 0 | 0 | 0 | 113.1 | V311 V312 N313 | T309-V311 VanDerWaalsContact C-N 3.26Å; T309-V311 PolarHBondContact O-N 2.88Å; T309-V312 PolarHBondContact O-N 2.94Å; T309-N313 WeakPolarHBondContact O-CB 3.46Å; T309-N313 PolarHBondContact O-N 3.15Å; T309-N313 PolarHBondContact O-ND2 3.18Å |
| 310 | D | 97.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.6 | -22.5 | -179.9 | -58.9 | -11.7 | 0 | 0 | 0 | 113.4 | H308 Y314 | H308-D310 VanDerWaalsContact C-N 3.25Å; H308-D310 IonicContact CE1-OD2 2.68Å; H308-D310 PolarHBondContact CE1-OD2 3.47Å; H308-D310 PolarHBondContact ND1-N 3.24Å; H308-D310 PolarHBondContact O-N 3.27Å; H308-D310 VanDerWaalsContact O-N 3.13Å; D310-Y314 WeakPolarHBondContact O-CB 3.31Å; D310-Y314 PolarHBondContact O-N 3.08Å |
| 311 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -80.7 | -51.8 | 173.6 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | F283 L286 F301 M302 H308 T309 N313 Y314 I315 | F283-V311 HydrophobicContact CD2-CG2 4.13Å; F283-V311 HydrophobicContact CE2-CG1 4.43Å; F283-V311 HydrophobicContact CE2-CG2 4.29Å; L286-V311 HydrophobicContact CD2-CG2 3.49Å; L286-V311 VanDerWaalsContact CD2-CG2 3.49Å; F301-V311 HydrophobicContact CE1-CG1 4.44Å; F301-V311 HydrophobicContact CE1-CG2 3.98Å; F301-V311 HydrophobicContact CZ-CG2 3.91Å; M302-V311 HydrophobicContact CE-CG1 4.13Å; M302-V311 HydrophobicContact SD-CG1 3.66Å; H308-V311 HydrophobicContact CB-CB 4.5Å; H308-V311 HydrophobicContact CB-CG2 4.17Å; H308-V311 WeakPolarHBondContact O-CA 3.39Å; H308-V311 WeakPolarHBondContact O-CB 3.34Å; H308-V311 PolarHBondContact O-N 3.24Å; T309-V311 VanDerWaalsContact C-N 3.26Å; T309-V311 PolarHBondContact O-N 2.88Å; V311-N313 PolarHBondContact O-N 3.46Å; V311-Y314 PolarHBondContact O-N 3.4Å; V311-I315 HydrophobicContact CG1-CD1 3.7Å; V311-I315 HydrophobicContact CG1-CG1 4.45Å; V311-I315 WeakPolarHBondContact O-CG1 3.3Å; V311-I315 PolarHBondContact O-N 3.46Å |
| 312 | V | 97 | Very high | 96.1 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.8 | -53.2 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | S306 H308 T309 Y314 I315 D316 | S306-V312 WeakPolarHBondContact O-CG2 3.4Å; H308-V312 PolarHBondContact O-N 3.36Å; T309-V312 PolarHBondContact O-N 2.94Å; V312-Y314 PolarHBondContact O-N 2.88Å; V312-I315 PolarHBondContact O-N 3.1Å; V312-D316 WeakPolarHBondContact O-CB 3.37Å; V312-D316 PolarHBondContact O-N 2.87Å |
| 313 | N | 96.6 | Very high | 96.2 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.9 | -33.4 | -179.9 | -70.6 | -26.7 | 0 | 0 | 0 | 112.8 | T309 V311 L317 | T309-N313 WeakPolarHBondContact O-CB 3.46Å; T309-N313 PolarHBondContact O-N 3.15Å; T309-N313 PolarHBondContact O-ND2 3.18Å; V311-N313 PolarHBondContact O-N 3.46Å; N313-L317 VanDerWaalsContact O-CD1 3.24Å; N313-L317 WeakPolarHBondContact O-CD1 3.26Å; N313-L317 WeakPolarHBondContact O-CG 3.34Å |
| 314 | Y | 98.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -77.7 | -44.8 | 178.4 | -173 | -130.9 | 0 | 0 | 0 | 111.4 | A279 M280 F283 D310 V311 V312 D316 L317 V318 A323 K326 | A279-Y314 HydrophobicContact CB-CD2 3.96Å; M280-Y314 HydrophobicContact CB-CD2 4.28Å; M280-Y314 HydrophobicContact CB-CE2 3.62Å; M280-Y314 HydrophobicContact CG-CE2 4.22Å; F283-Y314 HydrophobicContact CB-CD1 3.78Å; F283-Y314 HydrophobicContact CB-CE1 4.44Å; F283-Y314 HydrophobicContact CB-CG 3.99Å; F283-Y314 AromaticContact CD1-CD1 3.46Å; F283-Y314 HydrophobicContact CD1-CD1 3.46Å; F283-Y314 VanDerWaalsContact CD1-CD1 3.46Å; F283-Y314 AromaticContact CD1-CE1 3.5Å; F283-Y314 HydrophobicContact CD1-CE1 3.5Å; F283-Y314 VanDerWaalsContact CD1-CE1 3.5Å; F283-Y314 HydrophobicContact CD1-CG 4.46Å; F283-Y314 AromaticContact CD2-CD1 3.71Å; F283-Y314 HydrophobicContact CD2-CD1 3.71Å; F283-Y314 HydrophobicContact CD2-CG 4.42Å; F283-Y314 AromaticContact CE1-CD1 3.85Å; F283-Y314 HydrophobicContact CE1-CD1 3.85Å; F283-Y314 AromaticContact CE1-CE1 3.74Å; F283-Y314 HydrophobicContact CE1-CE1 3.74Å; F283-Y314 HydrophobicContact CE2-CD1 4.07Å; F283-Y314 AromaticContact CG-CD1 3.37Å; F283-Y314 HydrophobicContact CG-CD1 3.37Å; F283-Y314 AromaticContact CG-CE1 3.93Å; F283-Y314 HydrophobicContact CG-CE1 3.93Å; F283-Y314 HydrophobicContact CG-CG 4.07Å; F283-Y314 HydrophobicContact CZ-CD1 4.12Å; F283-Y314 HydrophobicContact CZ-CE1 4.34Å; D310-Y314 WeakPolarHBondContact O-CB 3.31Å; D310-Y314 PolarHBondContact O-N 3.08Å; V311-Y314 PolarHBondContact O-N 3.4Å; V312-Y314 PolarHBondContact O-N 2.88Å; Y314-D316 PolarHBondContact O-N 2.94Å; Y314-L317 PolarHBondContact O-N 3.21Å; Y314-L317 VanDerWaalsContact O-N 3.08Å; Y314-V318 HydrophobicContact CD1-CG2 4.29Å; Y314-V318 HydrophobicContact CD2-CG1 4.24Å; Y314-V318 HydrophobicContact CD2-CG2 4.02Å; Y314-V318 HydrophobicContact CE1-CG2 4.01Å; Y314-V318 HydrophobicContact CE2-CB 4.4Å; Y314-V318 HydrophobicContact CE2-CG1 3.75Å; Y314-V318 HydrophobicContact CE2-CG2 3.68Å; Y314-V318 HydrophobicContact CG-CG2 4.3Å; Y314-V318 WeakPolarHBondContact O-CG2 3.35Å; Y314-V318 PolarHBondContact O-N 3.32Å; Y314-A323 HydrophobicContact CD1-CB 3.96Å; Y314-A323 HydrophobicContact CE1-CB 4.11Å; Y314-K326 HydrophobicContact CE1-CB 4.16Å; Y314-K326 HydrophobicContact CE1-CG 4.2Å |
| 315 | I | 97.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 176 | -69.3 | 174.5 | 0 | 0 | 0 | 110.8 | H38 W298 M302 V311 V312 L317 V318 G319 S320 A323 | H38-I315 PolarHBondContact NE2-O 2.9Å; W298-I315 HydrophobicContact CH2-CD1 4.13Å; W298-I315 HydrophobicContact CZ2-CD1 4.17Å; M302-I315 HydrophobicContact CE-CD1 3.5Å; M302-I315 HydrophobicContact SD-CD1 4.04Å; V311-I315 HydrophobicContact CG1-CD1 3.7Å; V311-I315 HydrophobicContact CG1-CG1 4.45Å; V311-I315 WeakPolarHBondContact O-CG1 3.3Å; V311-I315 PolarHBondContact O-N 3.46Å; V312-I315 PolarHBondContact O-N 3.1Å; I315-L317 PolarHBondContact O-N 2.98Å; I315-L317 VanDerWaalsContact O-N 3.07Å; I315-V318 PolarHBondContact O-N 2.78Å; I315-G319 VanDerWaalsContact O-CA 3.32Å; I315-G319 WeakPolarHBondContact O-CA 3.34Å; I315-G319 PolarHBondContact O-N 2.67Å; I315-S320 WeakPolarHBondContact CG2-OG 3.05Å; I315-A323 HydrophobicContact CD1-CB 4.49Å; I315-A323 HydrophobicContact CG1-CB 3.67Å |
| 316 | D | 95.3 | Very high | 96.4 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.7 | -25.3 | 174.9 | -86.4 | -31.2 | 0 | 0 | 0 | 113.8 | H38 P39 V312 Y314 | H38-D316 IonicContact CD2-OD1 2.93Å; H38-D316 PolarHBondContact CD2-OD1 2.79Å; H38-D316 IonicContact NE2-OD1 2.66Å; P39-D316 WeakPolarHBondContact CD-O 3.38Å; V312-D316 WeakPolarHBondContact O-CB 3.37Å; V312-D316 PolarHBondContact O-N 2.87Å; Y314-D316 PolarHBondContact O-N 2.94Å |
| 317 | L | 95.5 | Very high | 96.5 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -96.4 | -36 | -176.9 | -73.5 | 172.4 | 0 | 0 | 0 | 114.1 | R272 V275 V276 A279 N313 Y314 I315 | R272-L317 PolarHBondContact NH2-O 3.06Å; V275-L317 HydrophobicContact CG1-CD1 3.79Å; V275-L317 HydrophobicContact CG1-CD2 4.16Å; V276-L317 HydrophobicContact CG2-CB 4.37Å; A279-L317 HydrophobicContact CB-CD1 3.64Å; N313-L317 VanDerWaalsContact O-CD1 3.24Å; N313-L317 WeakPolarHBondContact O-CD1 3.26Å; N313-L317 WeakPolarHBondContact O-CG 3.34Å; Y314-L317 PolarHBondContact O-N 3.21Å; Y314-L317 VanDerWaalsContact O-N 3.08Å; I315-L317 PolarHBondContact O-N 2.98Å; I315-L317 VanDerWaalsContact O-N 3.07Å |
| 318 | V | 95.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -121.4 | -15.2 | -174.5 | -52.8 | 0 | 0 | 0 | 0 | 115.7 | V276 Y314 I315 N322 | V276-V318 HydrophobicContact CG1-CG1 3.58Å; V276-V318 HydrophobicContact CG2-CG1 4.46Å; Y314-V318 HydrophobicContact CD1-CG2 4.29Å; Y314-V318 HydrophobicContact CD2-CG1 4.24Å; Y314-V318 HydrophobicContact CD2-CG2 4.02Å; Y314-V318 HydrophobicContact CE1-CG2 4.01Å; Y314-V318 HydrophobicContact CE2-CB 4.4Å; Y314-V318 HydrophobicContact CE2-CG1 3.75Å; Y314-V318 HydrophobicContact CE2-CG2 3.68Å; Y314-V318 HydrophobicContact CG-CG2 4.3Å; Y314-V318 WeakPolarHBondContact O-CG2 3.35Å; Y314-V318 PolarHBondContact O-N 3.32Å; I315-V318 PolarHBondContact O-N 2.78Å; V318-N322 HydrophobicContact CB-CB 4.07Å; V318-N322 HydrophobicContact CG2-CB 3.84Å; V318-N322 PolarHBondContact O-ND2 3.02Å |
| 319 | G | 95.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | 91.2 | 152.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D40 I315 L321 N322 A323 | D40-G319 WeakPolarHBondContact OD1-CA 3.13Å; I315-G319 VanDerWaalsContact O-CA 3.32Å; I315-G319 WeakPolarHBondContact O-CA 3.34Å; I315-G319 PolarHBondContact O-N 2.67Å; G319-L321 VanDerWaalsContact C-N 3.28Å; G319-L321 PolarHBondContact O-N 3Å; G319-N322 PolarHBondContact O-N 2.82Å; G319-A323 PolarHBondContact O-N 2.8Å | ||
| 320 | S | 95.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | -174.2 | -51.1 | 0 | 0 | 0 | 0 | 112.2 | D40 I315 A323 R324 | D40-S320 VanDerWaalsContact CG-N 3.3Å; D40-S320 PolarHBondContact OD1-N 2.82Å; D40-S320 WeakPolarHBondContact OD2-CB 3.28Å; D40-S320 PolarHBondContact OD2-N 2.78Å; D40-S320 PolarHBondContact OD2-OG 3.06Å; I315-S320 WeakPolarHBondContact CG2-OG 3.05Å; S320-A323 PolarHBondContact O-N 2.85Å; S320-R324 WeakPolarHBondContact O-CB 3.34Å; S320-R324 PolarHBondContact O-N 3.42Å |
| 321 | L | 94.9 | Very high | 96.3 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 179.1 | -176 | 64.1 | 0 | 0 | 0 | 112 | G319 R324 Y325 | G319-L321 VanDerWaalsContact C-N 3.28Å; G319-L321 PolarHBondContact O-N 3Å; L321-R324 PolarHBondContact O-N 3.04Å; L321-Y325 HydrophobicContact CD1-CD2 4.41Å; L321-Y325 HydrophobicContact CD1-CE2 3.76Å; L321-Y325 HydrophobicContact CD2-CE2 4.14Å; L321-Y325 HydrophobicContact CG-CD2 4.15Å; L321-Y325 HydrophobicContact CG-CE2 3.62Å; L321-Y325 VanDerWaalsContact O-CD2 3.27Å; L321-Y325 WeakPolarHBondContact O-CD2 3.31Å; L321-Y325 PolarHBondContact O-N 2.78Å |
| 322 | N | 95.3 | Very high | 96 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 176.2 | -72.2 | -46.2 | 0 | 0 | 0 | 111.6 | V318 G319 K326 | V318-N322 HydrophobicContact CB-CB 4.07Å; V318-N322 HydrophobicContact CG2-CB 3.84Å; V318-N322 PolarHBondContact O-ND2 3.02Å; G319-N322 PolarHBondContact O-N 2.82Å; N322-K326 WeakPolarHBondContact O-CB 3.25Å; N322-K326 PolarHBondContact O-N 2.75Å |
| 323 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | F283 W298 Y314 I315 G319 S320 K326 F327 | F283-A323 HydrophobicContact CZ-CB 4.3Å; F283-A323 WeakPolarHBondContact CZ-O 3.32Å; W298-A323 HydrophobicContact CH2-CB 3.76Å; W298-A323 HydrophobicContact CZ2-CB 4.39Å; Y314-A323 HydrophobicContact CD1-CB 3.96Å; Y314-A323 HydrophobicContact CE1-CB 4.11Å; I315-A323 HydrophobicContact CD1-CB 4.49Å; I315-A323 HydrophobicContact CG1-CB 3.67Å; G319-A323 PolarHBondContact O-N 2.8Å; S320-A323 PolarHBondContact O-N 2.85Å; A323-K326 PolarHBondContact O-N 3.19Å; A323-F327 WeakPolarHBondContact O-CB 3.42Å; A323-F327 PolarHBondContact O-N 2.96Å |
| 324 | R | 97.8 | Very high | 95.1 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -55.2 | 173.3 | 177.8 | 178.1 | -173.8 | 123.1 | 23.2 | 112 | W298 E299 S320 L321 K326 F327 E328 | W298-R324 HydrophobicContact CB-CG 4.03Å; W298-R324 HydrophobicContact CD2-CB 3.8Å; W298-R324 HydrophobicContact CD2-CG 3.97Å; W298-R324 HydrophobicContact CE3-CB 4.18Å; W298-R324 HydrophobicContact CE3-CG 4.47Å; W298-R324 HydrophobicContact CG-CB 4.1Å; W298-R324 HydrophobicContact CG-CG 3.77Å; W298-R324 HydrophobicContact CZ2-CB 4.3Å; E299-R324 IonicContact OE1-CZ 2.91Å; E299-R324 IonicContact OE1-NH1 3.78Å; E299-R324 PolarHBondContact OE1-NH1 3.05Å; E299-R324 IonicContact OE1-NH2 2.74Å; E299-R324 IonicContact OE2-NH1 3.99Å; E299-R324 IonicContact OE2-NH2 2.83Å; S320-R324 WeakPolarHBondContact O-CB 3.34Å; S320-R324 PolarHBondContact O-N 3.42Å; L321-R324 PolarHBondContact O-N 3.04Å; R324-K326 PolarHBondContact O-N 2.79Å; R324-F327 WeakPolarHBondContact O-CA 3.49Å; R324-F327 WeakPolarHBondContact O-CB 3.25Å; R324-F327 PolarHBondContact O-N 3.23Å; R324-E328 HydrophobicContact CG-CG 4.34Å; R324-E328 WeakPolarHBondContact CG-OE1 3.42Å; R324-E328 IonicContact CZ-OE1 3.65Å; R324-E328 IonicContact NE-OE1 2.67Å; R324-E328 PolarHBondContact NE-OE1 3.04Å; R324-E328 IonicContact NH2-OE1 3.75Å; R324-E328 PolarHBondContact NH2-OE1 2.83Å; R324-E328 WeakPolarHBondContact O-CG 3.39Å; R324-E328 PolarHBondContact O-N 3.36Å |
| 325 | Y | 97.7 | Very high | 94.5 | Very high | 136 Ų | 136 | 56.4 Ų | 56.4 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.9 | -34.5 | 177.7 | -68.6 | -45.3 | 0 | 0 | 0 | 112.3 | L321 A329 | L321-Y325 HydrophobicContact CD1-CD2 4.41Å; L321-Y325 HydrophobicContact CD1-CE2 3.76Å; L321-Y325 HydrophobicContact CD2-CE2 4.14Å; L321-Y325 HydrophobicContact CG-CD2 4.15Å; L321-Y325 HydrophobicContact CG-CE2 3.62Å; L321-Y325 VanDerWaalsContact O-CD2 3.27Å; L321-Y325 WeakPolarHBondContact O-CD2 3.31Å; L321-Y325 PolarHBondContact O-N 2.78Å; Y325-A329 WeakPolarHBondContact O-CB 3.34Å; Y325-A329 PolarHBondContact O-N 3.22Å; Y325-A329 VanDerWaalsContact O-N 3.16Å |
| 326 | K | 97 | Very high | 93.9 | Very high | 72 Ų | 72 | 61.4 Ų | 61.4 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.8 | -36.7 | 175.4 | -170.5 | 65 | -177 | -174.6 | 0 | 112.6 | M280 F283 V284 Y314 N322 A323 R324 V330 | M280-K326 HydrophobicContact SD-CD 4.19Å; M280-K326 VanDerWaalsContact SD-CE 3.51Å; F283-K326 HydrophobicContact CD1-CG 4.4Å; F283-K326 HydrophobicContact CE1-CB 4.23Å; F283-K326 HydrophobicContact CE1-CG 4.21Å; V284-K326 HydrophobicContact CG2-CG 4.26Å; Y314-K326 HydrophobicContact CE1-CB 4.16Å; Y314-K326 HydrophobicContact CE1-CG 4.2Å; N322-K326 WeakPolarHBondContact O-CB 3.25Å; N322-K326 PolarHBondContact O-N 2.75Å; A323-K326 PolarHBondContact O-N 3.19Å; R324-K326 PolarHBondContact O-N 2.79Å; K326-V330 WeakPolarHBondContact O-CB 3.35Å; K326-V330 WeakPolarHBondContact O-CG2 3.21Å; K326-V330 PolarHBondContact O-N 2.95Å |
| 327 | F | 97.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -53.1 | 172.3 | 163.3 | -90 | 0 | 0 | 0 | 110.9 | F283 V287 L295 W298 F301 A323 R324 A329 V330 V331 | F283-F327 HydrophobicContact CE1-CB 4.31Å; F283-F327 HydrophobicContact CZ-CB 4.01Å; V287-F327 HydrophobicContact CG1-CD2 3.96Å; V287-F327 HydrophobicContact CG1-CE2 4.32Å; V287-F327 HydrophobicContact CG2-CD2 3.91Å; L295-F327 HydrophobicContact CD2-CD2 4.46Å; L295-F327 HydrophobicContact CD2-CE2 3.51Å; L295-F327 HydrophobicContact CD2-CZ 4.13Å; W298-F327 HydrophobicContact CB-CD1 4.39Å; W298-F327 HydrophobicContact CB-CE1 4.33Å; W298-F327 HydrophobicContact CE3-CB 3.78Å; W298-F327 AromaticContact CE3-CD1 3.86Å; W298-F327 HydrophobicContact CE3-CD1 3.86Å; W298-F327 HydrophobicContact CE3-CD2 4.3Å; W298-F327 AromaticContact CE3-CG 3.74Å; W298-F327 HydrophobicContact CE3-CG 3.74Å; W298-F327 HydrophobicContact CZ3-CB 3.78Å; W298-F327 HydrophobicContact CZ3-CG 4.11Å; F301-F327 HydrophobicContact CB-CD2 4.19Å; F301-F327 HydrophobicContact CB-CE2 3.39Å; F301-F327 HydrophobicContact CB-CZ 3.63Å; F301-F327 AromaticContact CD1-CD2 3.85Å; F301-F327 HydrophobicContact CD1-CD2 3.85Å; F301-F327 AromaticContact CD1-CE2 3.9Å; F301-F327 HydrophobicContact CD1-CE2 3.9Å; F301-F327 HydrophobicContact CD2-CD2 4.07Å; F301-F327 AromaticContact CD2-CE2 3.56Å; F301-F327 HydrophobicContact CD2-CE2 3.56Å; F301-F327 HydrophobicContact CE1-CD2 4.26Å; F301-F327 HydrophobicContact CE2-CD2 4.45Å; F301-F327 HydrophobicContact CE2-CE2 4.31Å; F301-F327 AromaticContact CG-CD2 3.76Å; F301-F327 HydrophobicContact CG-CD2 3.76Å; F301-F327 AromaticContact CG-CE2 3.31Å; F301-F327 HydrophobicContact CG-CE2 3.31Å; F301-F327 HydrophobicContact CG-CZ 4.09Å; A323-F327 WeakPolarHBondContact O-CB 3.42Å; A323-F327 PolarHBondContact O-N 2.96Å; R324-F327 WeakPolarHBondContact O-CA 3.49Å; R324-F327 WeakPolarHBondContact O-CB 3.25Å; R324-F327 PolarHBondContact O-N 3.23Å; F327-A329 PolarHBondContact O-N 3.47Å; F327-V330 PolarHBondContact O-N 3.29Å; F327-V331 HydrophobicContact CD1-CG2 4.36Å; F327-V331 HydrophobicContact CD2-CG2 4.04Å; F327-V331 HydrophobicContact CE1-CG2 4.09Å; F327-V331 HydrophobicContact CE2-CG2 3.77Å; F327-V331 HydrophobicContact CG-CG2 4.32Å; F327-V331 HydrophobicContact CZ-CG2 3.8Å; F327-V331 WeakPolarHBondContact O-CG2 3.39Å; F327-V331 PolarHBondContact O-N 2.92Å |
| 328 | E | 96.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.4 | -48.4 | -177.4 | -70.1 | 167.8 | 163.9 | 0 | 0 | 111.1 | R324 V330 V331 E332 | R324-E328 HydrophobicContact CG-CG 4.34Å; R324-E328 WeakPolarHBondContact CG-OE1 3.42Å; R324-E328 IonicContact CZ-OE1 3.65Å; R324-E328 IonicContact NE-OE1 2.67Å; R324-E328 PolarHBondContact NE-OE1 3.04Å; R324-E328 IonicContact NH2-OE1 3.75Å; R324-E328 PolarHBondContact NH2-OE1 2.83Å; R324-E328 WeakPolarHBondContact O-CG 3.39Å; R324-E328 PolarHBondContact O-N 3.36Å; E328-V330 VanDerWaalsContact C-N 3.33Å; E328-V330 PolarHBondContact O-N 2.98Å; E328-V331 PolarHBondContact O-N 3.41Å; E328-E332 PolarHBondContact O-N 3.16Å |
| 329 | A | 95.8 | Very high | 92.3 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -29.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y325 F327 E333 | Y325-A329 WeakPolarHBondContact O-CB 3.34Å; Y325-A329 PolarHBondContact O-N 3.22Å; Y325-A329 VanDerWaalsContact O-N 3.16Å; F327-A329 PolarHBondContact O-N 3.47Å; A329-E333 VanDerWaalsContact O-CB 3.31Å; A329-E333 WeakPolarHBondContact O-CB 3.34Å; A329-E333 PolarHBondContact O-N 2.57Å; A329-E333 VanDerWaalsContact O-N 3.17Å |
| 330 | V | 94.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 68.3 Ų | 68.3 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.4 | -34.8 | 176.6 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | V284 V287 F288 K326 F327 E328 R334 | V284-V330 HydrophobicContact CG1-CG1 4.27Å; V284-V330 HydrophobicContact CG1-CG2 4.05Å; V284-V330 HydrophobicContact CG2-CG2 4.04Å; V287-V330 HydrophobicContact CB-CG1 3.98Å; V287-V330 HydrophobicContact CG1-CB 4.26Å; V287-V330 HydrophobicContact CG1-CG1 3.64Å; F288-V330 HydrophobicContact CD2-CG1 3.81Å; F288-V330 HydrophobicContact CE2-CG1 3.65Å; F288-V330 HydrophobicContact CG-CG1 4.47Å; F288-V330 HydrophobicContact CZ-CG1 4.18Å; K326-V330 WeakPolarHBondContact O-CB 3.35Å; K326-V330 WeakPolarHBondContact O-CG2 3.21Å; K326-V330 PolarHBondContact O-N 2.95Å; F327-V330 PolarHBondContact O-N 3.29Å; E328-V330 VanDerWaalsContact C-N 3.33Å; E328-V330 PolarHBondContact O-N 2.98Å; V330-R334 WeakPolarHBondContact O-CB 3.42Å; V330-R334 PolarHBondContact O-N 3.22Å |
| 331 | V | 94.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 70.8 Ų | 70.8 | 9% | 0.085 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.3 | V287 L295 F327 E328 E333 R334 F335 | V287-V331 HydrophobicContact CG1-CG2 3.77Å; L295-V331 HydrophobicContact CB-CG1 4.41Å; L295-V331 HydrophobicContact CB-CG2 4.21Å; L295-V331 HydrophobicContact CD1-CG2 4.45Å; L295-V331 HydrophobicContact CD2-CG2 4.08Å; L295-V331 HydrophobicContact CG-CG2 4.49Å; F327-V331 HydrophobicContact CD1-CG2 4.36Å; F327-V331 HydrophobicContact CD2-CG2 4.04Å; F327-V331 HydrophobicContact CE1-CG2 4.09Å; F327-V331 HydrophobicContact CE2-CG2 3.77Å; F327-V331 HydrophobicContact CG-CG2 4.32Å; F327-V331 HydrophobicContact CZ-CG2 3.8Å; F327-V331 WeakPolarHBondContact O-CG2 3.39Å; F327-V331 PolarHBondContact O-N 2.92Å; E328-V331 PolarHBondContact O-N 3.41Å; V331-E333 PolarHBondContact O-N 2.98Å; V331-R334 PolarHBondContact O-N 2.92Å; V331-F335 HydrophobicContact CG1-CD2 3.71Å; V331-F335 HydrophobicContact CG1-CE2 3.43Å; V331-F335 VanDerWaalsContact CG1-CE2 3.43Å; V331-F335 WeakPolarHBondContact O-CD2 3.11Å; V331-F335 PolarHBondContact O-N 3.17Å |
| 332 | E | 90.1 | Very high | 90.9 | Very high | 144 Ų | 144 | 66.5 Ų | 66.5 | 67% | 0.673 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.5 | -49.1 | 172.2 | -172.7 | -174.3 | -175.1 | 0 | 0 | 111.3 | E328 R334 F335 R336 | E328-E332 PolarHBondContact O-N 3.16Å; E332-R334 VanDerWaalsContact C-N 3.32Å; E332-R334 PolarHBondContact O-N 3.03Å; E332-F335 PolarHBondContact O-N 2.88Å; E332-R336 WeakPolarHBondContact O-CB 3.36Å; E332-R336 PolarHBondContact O-N 3.19Å |
| 333 | E | 89.1 | Confident | 90.5 | Very high | 74 Ų | 74 | 64.4 Ų | 64.4 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 178.1 | 177.2 | 61.5 | -176.4 | 0 | 0 | 112.7 | F288 A329 V331 R336 T337 | F288-E333 HydrophobicContact CZ-CG 4.43Å; A329-E333 VanDerWaalsContact O-CB 3.31Å; A329-E333 WeakPolarHBondContact O-CB 3.34Å; A329-E333 PolarHBondContact O-N 2.57Å; A329-E333 VanDerWaalsContact O-N 3.17Å; V331-E333 PolarHBondContact O-N 2.98Å; E333-R336 IonicContact OE1-CZ 3.69Å; E333-R336 IonicContact OE1-NH2 3.72Å; E333-R336 PolarHBondContact OE1-NH2 3.2Å; E333-R336 IonicContact OE2-CZ 3.91Å; E333-R336 IonicContact OE2-NE 3.77Å; E333-R336 PolarHBondContact OE2-NE 3.2Å; E333-R336 IonicContact OE2-NH2 3.48Å; E333-R336 PolarHBondContact OE2-NH2 3.21Å; E333-T337 VanDerWaalsContact O-CB 3.27Å; E333-T337 WeakPolarHBondContact O-CB 3.47Å; E333-T337 PolarHBondContact O-N 2.98Å; E333-T337 PolarHBondContact O-OG1 3.13Å |
| 334 | R | 86.3 | Confident | 90.1 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 24% | 0.242 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 174.2 | -174.6 | 177.1 | 178.9 | -178.6 | -4.8 | 111.4 | V287 F288 S290 V330 V331 E332 T337 K338 | V287-R334 PolarHBondContact O-NH1 2.91Å; F288-R334 HydrophobicContact CD1-CB 4.23Å; F288-R334 HydrophobicContact CD1-CG 4.14Å; F288-R334 HydrophobicContact CE1-CB 3.84Å; F288-R334 HydrophobicContact CE1-CG 4.14Å; F288-R334 PolarHBondContact O-NH1 3.47Å; S290-R334 PolarHBondContact O-NH1 2.61Å; S290-R334 PolarHBondContact O-NH2 2.98Å; V330-R334 WeakPolarHBondContact O-CB 3.42Å; V330-R334 PolarHBondContact O-N 3.22Å; V331-R334 PolarHBondContact O-N 2.92Å; E332-R334 VanDerWaalsContact C-N 3.32Å; E332-R334 PolarHBondContact O-N 3.03Å; R334-T337 PolarHBondContact O-N 3.2Å; R334-K338 PolarHBondContact O-N 3.39Å |
| 335 | F | 84.6 | Confident | 89.7 | Confident | 76 Ų | 76 | 71.2 Ų | 71.2 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 176.3 | -77 | -59.4 | 0 | 0 | 0 | 112.3 | V331 E332 T337 K338 K339 L394 | V331-F335 HydrophobicContact CG1-CD2 3.71Å; V331-F335 HydrophobicContact CG1-CE2 3.43Å; V331-F335 VanDerWaalsContact CG1-CE2 3.43Å; V331-F335 WeakPolarHBondContact O-CD2 3.11Å; V331-F335 PolarHBondContact O-N 3.17Å; E332-F335 PolarHBondContact O-N 2.88Å; F335-T337 VanDerWaalsContact C-N 3.28Å; F335-T337 PolarHBondContact O-N 2.68Å; F335-K338 PolarHBondContact O-N 3.38Å; F335-K339 PolarHBondContact O-N 3.23Å; F335-L394 HydrophobicContact CE1-CD1 4.34Å; F335-L394 HydrophobicContact CE2-CD1 4.49Å; F335-L394 HydrophobicContact CE2-CD2 4.07Å; F335-L394 HydrophobicContact CZ-CD1 3.96Å; F335-L394 HydrophobicContact CZ-CD2 3.69Å; F335-L394 HydrophobicContact CZ-CG 3.95Å |
| 336 | R | 85 | Confident | 89.4 | Confident | 121 Ų | 121 | 64.7 Ų | 64.7 | 46% | 0.457 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.8 | -44.1 | 174.1 | -167.8 | -170 | 69.5 | 73 | 6.1 | 111.4 | E332 E333 K339 L340 | E332-R336 WeakPolarHBondContact O-CB 3.36Å; E332-R336 PolarHBondContact O-N 3.19Å; E333-R336 IonicContact OE1-CZ 3.69Å; E333-R336 IonicContact OE1-NH2 3.72Å; E333-R336 PolarHBondContact OE1-NH2 3.2Å; E333-R336 IonicContact OE2-CZ 3.91Å; E333-R336 IonicContact OE2-NE 3.77Å; E333-R336 PolarHBondContact OE2-NE 3.2Å; E333-R336 IonicContact OE2-NH2 3.48Å; E333-R336 PolarHBondContact OE2-NH2 3.21Å; R336-K339 PolarHBondContact O-N 2.94Å; R336-L340 WeakPolarHBondContact O-CG 3.31Å; R336-L340 PolarHBondContact O-N 3.35Å |
| 337 | T | 85.6 | Confident | 89 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | E333 R334 F335 K339 L340 N341 | E333-T337 VanDerWaalsContact O-CB 3.27Å; E333-T337 WeakPolarHBondContact O-CB 3.47Å; E333-T337 PolarHBondContact O-N 2.98Å; E333-T337 PolarHBondContact O-OG1 3.13Å; R334-T337 PolarHBondContact O-N 3.2Å; F335-T337 VanDerWaalsContact C-N 3.28Å; F335-T337 PolarHBondContact O-N 2.68Å; T337-K339 PolarHBondContact O-N 2.94Å; T337-L340 PolarHBondContact O-N 2.6Å; T337-N341 WeakPolarHBondContact O-CB 3.49Å; T337-N341 PolarHBondContact O-N 2.6Å; T337-N341 PolarHBondContact O-OD1 3.36Å |
| 338 | K | 82.6 | Confident | 88.7 | Confident | 84 Ų | 84 | 66.3 Ų | 66.3 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.5 | -170.3 | 173.7 | 178.7 | 175.9 | 0 | 111.7 | R334 F335 S342 V397 | R334-K338 PolarHBondContact O-N 3.39Å; F335-K338 PolarHBondContact O-N 3.38Å; K338-S342 WeakPolarHBondContact O-CB 3.46Å; K338-S342 PolarHBondContact O-N 3.36Å; K338-S342 VanDerWaalsContact O-N 3.14Å; K338-S342 PolarHBondContact O-OG 2.95Å; K338-V397 PolarHBondContact NZ-O 3.49Å |
| 339 | K | 84 | Confident | 88.5 | Confident | 87 Ų | 87 | 64.2 Ų | 64.2 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 175.3 | -175.3 | 153.7 | 177.1 | 145.5 | 0 | 111.5 | F335 R336 T337 S342 L343 L408 E411 | F335-K339 PolarHBondContact O-N 3.23Å; R336-K339 PolarHBondContact O-N 2.94Å; T337-K339 PolarHBondContact O-N 2.94Å; K339-S342 WeakPolarHBondContact O-CB 3.41Å; K339-S342 PolarHBondContact O-N 2.81Å; K339-L343 HydrophobicContact CG-CD1 4.01Å; K339-L343 WeakPolarHBondContact O-CG 3.04Å; K339-L343 PolarHBondContact O-N 3.14Å; K339-L408 HydrophobicContact CD-CD2 3.79Å; K339-L408 HydrophobicContact CG-CD1 4.36Å; K339-L408 HydrophobicContact CG-CD2 3.86Å; K339-E411 IonicContact NZ-OE2 2.69Å; K339-E411 PolarHBondContact NZ-OE2 3.12Å |
| 340 | L | 85.9 | Confident | 88.4 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 175.8 | -73.2 | 174.5 | 0 | 0 | 0 | 112.9 | R336 T337 S342 L343 D344 | R336-L340 WeakPolarHBondContact O-CG 3.31Å; R336-L340 PolarHBondContact O-N 3.35Å; T337-L340 PolarHBondContact O-N 2.6Å; L340-S342 PolarHBondContact O-N 2.85Å; L340-L343 HydrophobicContact CD2-CD1 4.49Å; L340-L343 PolarHBondContact O-N 3.48Å; L340-D344 PolarHBondContact O-N 2.88Å |
| 341 | N | 85.6 | Confident | 88.2 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -15.6 | 177.3 | -67.4 | -3.8 | 0 | 0 | 0 | 113.5 | T337 | T337-N341 WeakPolarHBondContact O-CB 3.49Å; T337-N341 PolarHBondContact O-N 2.6Å; T337-N341 PolarHBondContact O-OD1 3.36Å |
| 342 | S | 86.4 | Confident | 88.1 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -90.5 | -41.8 | 173.7 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | K338 K339 L340 D344 K345 V346 V404 | K338-S342 WeakPolarHBondContact O-CB 3.46Å; K338-S342 PolarHBondContact O-N 3.36Å; K338-S342 VanDerWaalsContact O-N 3.14Å; K338-S342 PolarHBondContact O-OG 2.95Å; K339-S342 WeakPolarHBondContact O-CB 3.41Å; K339-S342 PolarHBondContact O-N 2.81Å; L340-S342 PolarHBondContact O-N 2.85Å; S342-D344 VanDerWaalsContact C-N 3.35Å; S342-D344 PolarHBondContact O-N 3.19Å; S342-K345 WeakPolarHBondContact O-CB 3.17Å; S342-K345 PolarHBondContact O-N 2.97Å; S342-V346 PolarHBondContact O-N 2.68Å; S342-V404 WeakPolarHBondContact O-CG2 3.34Å |
| 343 | L | 86.9 | Confident | 88.1 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 174 | -71.4 | 164.3 | 0 | 0 | 0 | 111.9 | K339 L340 K345 V346 P347 L408 L420 | K339-L343 HydrophobicContact CG-CD1 4.01Å; K339-L343 WeakPolarHBondContact O-CG 3.04Å; K339-L343 PolarHBondContact O-N 3.14Å; L340-L343 HydrophobicContact CD2-CD1 4.49Å; L340-L343 PolarHBondContact O-N 3.48Å; L343-K345 PolarHBondContact O-N 3.45Å; L343-K345 VanDerWaalsContact O-N 3.15Å; L343-V346 WeakPolarHBondContact O-CB 3.37Å; L343-V346 PolarHBondContact O-N 2.92Å; L343-P347 VanDerWaalsContact O-CD 3.25Å; L343-P347 WeakPolarHBondContact O-CD 3.4Å; L343-L408 HydrophobicContact CD2-CB 4.01Å; L343-L408 HydrophobicContact CD2-CD2 4.44Å; L343-L408 WeakPolarHBondContact CD2-O 3.32Å; L343-L420 HydrophobicContact CD2-CD1 3.76Å |
| 344 | D | 87.5 | Confident | 88.2 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 68% | 0.684 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.5 | 177.2 | -74.9 | -15.4 | 0 | 0 | 0 | 113.3 | L340 S342 | L340-D344 PolarHBondContact O-N 2.88Å; S342-D344 VanDerWaalsContact C-N 3.35Å; S342-D344 PolarHBondContact O-N 3.19Å |
| 345 | K | 89.6 | Confident | 88.4 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -28.7 | 175.1 | -63 | 170.4 | -179 | 174.5 | 0 | 112.9 | S342 L343 G348 I349 S402 V404 | S342-K345 WeakPolarHBondContact O-CB 3.17Å; S342-K345 PolarHBondContact O-N 2.97Å; L343-K345 PolarHBondContact O-N 3.45Å; L343-K345 VanDerWaalsContact O-N 3.15Å; K345-G348 PolarHBondContact O-N 2.88Å; K345-G348 VanDerWaalsContact O-N 3.12Å; K345-I349 HydrophobicContact CB-CD1 3.95Å; K345-I349 WeakPolarHBondContact O-CG1 3.03Å; K345-I349 PolarHBondContact O-N 3.46Å; K345-S402 PolarHBondContact NZ-O 2.73Å; K345-V404 HydrophobicContact CB-CG2 3.83Å; K345-V404 HydrophobicContact CD-CG2 3.75Å; K345-V404 HydrophobicContact CG-CG2 4.45Å |
| 346 | V | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.2 | -48 | -171.4 | 172.4 | 0 | 0 | 0 | 0 | 112.4 | S342 L343 G348 I349 L350 V404 A409 L420 | S342-V346 PolarHBondContact O-N 2.68Å; L343-V346 WeakPolarHBondContact O-CB 3.37Å; L343-V346 PolarHBondContact O-N 2.92Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 3.18Å; V346-I349 PolarHBondContact O-N 2.94Å; V346-L350 HydrophobicContact CG1-CD1 3.62Å; V346-L350 HydrophobicContact CG1-CG 3.91Å; V346-L350 WeakPolarHBondContact O-CB 3.13Å; V346-L350 WeakPolarHBondContact O-CG 3.15Å; V346-L350 PolarHBondContact O-N 3.37Å; V346-V404 HydrophobicContact CG2-CG1 3.77Å; V346-A409 HydrophobicContact CG1-CB 3.85Å; V346-L420 HydrophobicContact CB-CD1 3.86Å; V346-L420 HydrophobicContact CG1-CB 3.94Å; V346-L420 HydrophobicContact CG1-CD1 3.81Å; V346-L420 HydrophobicContact CG2-CD1 4.34Å |
| 347 | P | 90 | Very high | 88.7 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -32.7 | -180 | -24.8 | 35.3 | 0 | 0 | 0 | 114 | L343 M351 | L343-P347 VanDerWaalsContact O-CD 3.25Å; L343-P347 WeakPolarHBondContact O-CD 3.4Å; P347-M351 WeakPolarHBondContact O-CB 3.08Å; P347-M351 PolarHBondContact O-N 3.39Å; P347-M351 VanDerWaalsContact O-N 3.12Å |
| 348 | G | 90.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.3 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K345 V346 M351 H352 | K345-G348 PolarHBondContact O-N 2.88Å; K345-G348 VanDerWaalsContact O-N 3.12Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 3.18Å; G348-M351 PolarHBondContact O-N 3.05Å; G348-H352 PolarHBondContact O-N 3Å; G348-H352 VanDerWaalsContact O-N 3.14Å |
| 349 | I | 93.2 | Very high | 88.7 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.6 | -70 | 167.6 | 0 | 0 | 0 | 111 | K345 V346 M351 H352 L353 C381 F382 V404 | K345-I349 HydrophobicContact CB-CD1 3.95Å; K345-I349 WeakPolarHBondContact O-CG1 3.03Å; K345-I349 PolarHBondContact O-N 3.46Å; V346-I349 PolarHBondContact O-N 2.94Å; I349-M351 PolarHBondContact O-N 3.36Å; I349-H352 PolarHBondContact O-N 3.19Å; I349-L353 HydrophobicContact CG2-CD1 3.48Å; I349-L353 VanDerWaalsContact CG2-CD1 3.48Å; I349-L353 HydrophobicContact CG2-CG 4.16Å; I349-L353 VanDerWaalsContact O-CG 3.32Å; I349-L353 WeakPolarHBondContact O-CG 3.5Å; I349-L353 PolarHBondContact O-N 2.85Å; I349-C381 HydrophobicContact CD1-CB 4.35Å; I349-C381 HydrophobicContact CG1-CB 4.31Å; I349-C381 HydrophobicContact CG2-CB 3.64Å; I349-F382 HydrophobicContact CB-CZ 4.43Å; I349-F382 HydrophobicContact CG2-CD2 4.13Å; I349-F382 HydrophobicContact CG2-CE1 4.1Å; I349-F382 HydrophobicContact CG2-CE2 3.48Å; I349-F382 VanDerWaalsContact CG2-CE2 3.48Å; I349-F382 HydrophobicContact CG2-CZ 3.46Å; I349-F382 VanDerWaalsContact CG2-CZ 3.46Å; I349-V404 HydrophobicContact CD1-CB 4.29Å; I349-V404 HydrophobicContact CD1-CG2 3.69Å |
| 350 | L | 92.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 179 | -68.9 | -178.9 | 0 | 0 | 0 | 112.6 | V346 H352 L354 I372 F382 L421 H424 | V346-L350 HydrophobicContact CG1-CD1 3.62Å; V346-L350 HydrophobicContact CG1-CG 3.91Å; V346-L350 WeakPolarHBondContact O-CB 3.13Å; V346-L350 WeakPolarHBondContact O-CG 3.15Å; V346-L350 PolarHBondContact O-N 3.37Å; L350-H352 VanDerWaalsContact C-N 3.28Å; L350-H352 PolarHBondContact O-N 3.09Å; L350-L354 CarbonylContact O-C 3.57Å; L350-L354 WeakPolarHBondContact O-CA 3.09Å; L350-L354 PolarHBondContact O-N 2.83Å; L350-L354 VanDerWaalsContact O-O 3.12Å; L350-I372 HydrophobicContact CD2-CD1 4.22Å; L350-F382 HydrophobicContact CD2-CZ 4.21Å; L350-L421 HydrophobicContact CD1-CB 4.42Å; L350-L421 HydrophobicContact CD1-CD1 4.11Å; L350-L421 HydrophobicContact CD2-CD1 3.66Å; L350-H424 HydrophobicContact CD1-CB 4.08Å; L350-H424 PolarHBondContact O-NE2 2.74Å; L350-H424 VanDerWaalsContact O-NE2 3.15Å |
| 351 | M | 91 | Very high | 88.5 | Confident | 64 Ų | 64 | 54.3 Ų | 54.3 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -32.4 | 173.3 | -167.3 | 66.6 | 64.4 | 0 | 0 | 112.5 | P347 G348 I349 P355 | P347-M351 WeakPolarHBondContact O-CB 3.08Å; P347-M351 PolarHBondContact O-N 3.39Å; P347-M351 VanDerWaalsContact O-N 3.12Å; G348-M351 PolarHBondContact O-N 3.05Å; I349-M351 PolarHBondContact O-N 3.36Å; M351-P355 VanDerWaalsContact O-CA 3.32Å; M351-P355 WeakPolarHBondContact O-CA 3.27Å; M351-P355 WeakPolarHBondContact O-CB 3.42Å |
| 352 | H | 91.1 | Very high | 88.4 | Confident | 111 Ų | 111 | 53.4 Ų | 53.4 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -78.8 | -45.2 | 178.3 | -178.7 | 74.6 | 0 | 0 | 0 | 112.7 | G348 I349 L350 E377 | G348-H352 PolarHBondContact O-N 3Å; G348-H352 VanDerWaalsContact O-N 3.14Å; I349-H352 PolarHBondContact O-N 3.19Å; L350-H352 VanDerWaalsContact C-N 3.28Å; L350-H352 PolarHBondContact O-N 3.09Å; H352-E377 IonicContact CD2-OE2 3.67Å; H352-E377 IonicContact CE1-OE2 3.74Å; H352-E377 IonicContact NE2-OE2 2.9Å; H352-E377 PolarHBondContact NE2-OE2 3.49Å |
| 353 | L | 91.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -77.3 | -25 | -179.5 | -61 | 173.4 | 0 | 0 | 0 | 113.2 | I349 I372 H375 E377 C381 F382 | I349-L353 HydrophobicContact CG2-CD1 3.48Å; I349-L353 VanDerWaalsContact CG2-CD1 3.48Å; I349-L353 HydrophobicContact CG2-CG 4.16Å; I349-L353 VanDerWaalsContact O-CG 3.32Å; I349-L353 WeakPolarHBondContact O-CG 3.5Å; I349-L353 PolarHBondContact O-N 2.85Å; L353-I372 HydrophobicContact CD1-CG2 4.28Å; L353-H375 HydrophobicContact CD2-CB 4.47Å; L353-H375 WeakPolarHBondContact CD2-ND1 3.48Å; L353-E377 HydrophobicContact CD2-CB 4.19Å; L353-C381 HydrophobicContact CD1-CB 4.28Å; L353-F382 HydrophobicContact CD1-CD2 3.86Å; L353-F382 HydrophobicContact CD1-CE2 3.46Å; L353-F382 VanDerWaalsContact CD1-CE2 3.46Å |
| 354 | L | 91.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | trans | -144.5 | 84.2 | 176.2 | -168.1 | 75.8 | 0 | 0 | 0 | 110.9 | L350 N356 V360 Y371 H424 M425 L428 | L350-L354 CarbonylContact O-C 3.57Å; L350-L354 WeakPolarHBondContact O-CA 3.09Å; L350-L354 PolarHBondContact O-N 2.83Å; L350-L354 VanDerWaalsContact O-O 3.12Å; L354-N356 VanDerWaalsContact CD1-O 3.32Å; L354-N356 WeakPolarHBondContact CD1-O 3.36Å; L354-N356 WeakPolarHBondContact CG-O 3.36Å; L354-V360 HydrophobicContact CD1-CG1 3.85Å; L354-V360 HydrophobicContact CD1-CG2 3.88Å; L354-V360 HydrophobicContact CD2-CG2 4.07Å; L354-Y371 HydrophobicContact CD1-CE1 4.02Å; L354-H424 PolarHBondContact O-NE2 2.71Å; L354-M425 HydrophobicContact CD2-CE 3.49Å; L354-M425 VanDerWaalsContact CD2-CE 3.49Å; L354-M425 HydrophobicContact CD2-SD 3.54Å; L354-M425 VanDerWaalsContact CD2-SD 3.54Å; L354-L428 HydrophobicContact CD2-CD1 3.97Å; L354-L428 HydrophobicContact CG-CD1 4.13Å | ||
| 355 | P | 89.9 | Confident | 88.4 | Confident | 82 Ų | 82 | 53.4 Ų | 53.4 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -78.4 | -19.3 | -179.9 | 29.9 | -35.4 | 0 | 0 | 0 | 114.1 | M351 L428 | M351-P355 VanDerWaalsContact O-CA 3.32Å; M351-P355 WeakPolarHBondContact O-CA 3.27Å; M351-P355 WeakPolarHBondContact O-CB 3.42Å; P355-L428 WeakPolarHBondContact O-CD2 3.15Å |
| 356 | N | 88 | Confident | 88.3 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -149.4 | 178.9 | 178.6 | 69.8 | 32.8 | 0 | 0 | 0 | 111 | L354 D358 | L354-N356 VanDerWaalsContact CD1-O 3.32Å; L354-N356 WeakPolarHBondContact CD1-O 3.36Å; L354-N356 WeakPolarHBondContact CG-O 3.36Å; N356-D358 VanDerWaalsContact CG-OD2 3.23Å; N356-D358 PolarHBondContact ND2-OD2 2.98Å; N356-D358 PolarHBondContact OD1-N 3.12Å; N356-D358 PolarHBondContact OD1-OD2 2.71Å |
| 357 | L | 87.5 | Confident | 88.1 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -95.9 | 1.1 | -179.7 | -65.1 | 175.4 | 0 | 0 | 0 | 114.1 | T359 V360 H361 M425 L428 T429 | L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.16Å; L357-V360 HydrophobicContact CD2-CG2 4.06Å; L357-V360 CarbonylContact O-C 3.53Å; L357-V360 PolarHBondContact O-N 3.45Å; L357-H361 WeakPolarHBondContact O-CA 3.5Å; L357-H361 WeakPolarHBondContact O-CB 3.38Å; L357-H361 PolarHBondContact O-N 2.66Å; L357-M425 HydrophobicContact CD2-SD 4.22Å; L357-L428 HydrophobicContact CD1-CB 4.18Å; L357-L428 HydrophobicContact CD2-CB 3.93Å; L357-L428 HydrophobicContact CD2-CD1 4.02Å; L357-L428 HydrophobicContact CG-CB 3.79Å; L357-L428 HydrophobicContact CG-CD1 4.42Å; L357-T429 WeakPolarHBondContact CD1-OG1 3.27Å |
| 358 | D | 85.7 | Confident | 88.1 | Confident | 96 Ų | 96 | 59 Ų | 59 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -27.6 | -166.6 | -63.6 | -60.2 | 0 | 0 | 0 | 113.1 | N356 R432 | N356-D358 VanDerWaalsContact CG-OD2 3.23Å; N356-D358 PolarHBondContact ND2-OD2 2.98Å; N356-D358 PolarHBondContact OD1-N 3.12Å; N356-D358 PolarHBondContact OD1-OD2 2.71Å; D358-R432 IonicContact OD1-CZ 3Å; D358-R432 IonicContact OD1-NH1 3.48Å; D358-R432 PolarHBondContact OD1-NH1 2.92Å; D358-R432 IonicContact OD1-NH2 2.68Å; D358-R432 PolarHBondContact OD1-NH2 2.83Å; D358-R432 IonicContact OD2-NH1 3.72Å |
| 359 | T | 82.5 | Confident | 88.1 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -11.1 | 175.2 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | L357 F363 Y371 | L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.16Å; T359-F363 WeakPolarHBondContact O-CZ 3.41Å; T359-Y371 WeakPolarHBondContact CB-OH 3.42Å; T359-Y371 PolarHBondContact OG1-OH 3.19Å; T359-Y371 VanDerWaalsContact OG1-OH 3.05Å |
| 360 | V | 85.2 | Confident | 87.9 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -128.4 | 17.3 | -174.8 | -59.2 | 0 | 0 | 0 | 0 | 113 | L354 L357 G362 F363 I368 Y371 | L354-V360 HydrophobicContact CD1-CG1 3.85Å; L354-V360 HydrophobicContact CD1-CG2 3.88Å; L354-V360 HydrophobicContact CD2-CG2 4.07Å; L357-V360 HydrophobicContact CD2-CG2 4.06Å; L357-V360 CarbonylContact O-C 3.53Å; L357-V360 PolarHBondContact O-N 3.45Å; V360-G362 PolarHBondContact O-N 2.84Å; V360-F363 HydrophobicContact CB-CB 4.38Å; V360-F363 HydrophobicContact CB-CD2 3.72Å; V360-F363 HydrophobicContact CB-CE2 4.17Å; V360-F363 HydrophobicContact CB-CG 4.12Å; V360-F363 HydrophobicContact CG1-CD2 3.86Å; V360-F363 HydrophobicContact CG1-CE2 4Å; V360-F363 VanDerWaalsContact O-CB 3.31Å; V360-F363 WeakPolarHBondContact O-CB 3.31Å; V360-F363 WeakPolarHBondContact O-CG 3.29Å; V360-F363 PolarHBondContact O-N 3.18Å; V360-I368 HydrophobicContact CB-CG1 4.21Å; V360-Y371 HydrophobicContact CG1-CD1 3.7Å; V360-Y371 HydrophobicContact CG1-CD2 4.04Å; V360-Y371 HydrophobicContact CG1-CE1 3.96Å; V360-Y371 HydrophobicContact CG1-CE2 4.25Å; V360-Y371 HydrophobicContact CG1-CG 3.76Å |
| 361 | H | 81.8 | Confident | 87.8 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 56% | 0.56 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 119.2 | -172.8 | -170.7 | -78.9 | 0 | 0 | 0 | 111.7 | L357 F363 R432 | L357-H361 WeakPolarHBondContact O-CA 3.5Å; L357-H361 WeakPolarHBondContact O-CB 3.38Å; L357-H361 PolarHBondContact O-N 2.66Å; H361-F363 VanDerWaalsContact C-N 3.33Å; H361-R432 PolarHBondContact CD2-NH2 2.96Å |
| 362 | G | 82.4 | Confident | 87.9 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 76% | 0.763 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 8.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V360 | V360-G362 PolarHBondContact O-N 2.84Š|
| 363 | F | 87.8 | Confident | 87.8 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | trans | -73.3 | 145 | 172.9 | -72.9 | 12.1 | 0 | 0 | 0 | 111.2 | T359 V360 H361 Q367 I368 Y371 | T359-F363 WeakPolarHBondContact O-CZ 3.41Å; V360-F363 HydrophobicContact CB-CB 4.38Å; V360-F363 HydrophobicContact CB-CD2 3.72Å; V360-F363 HydrophobicContact CB-CE2 4.17Å; V360-F363 HydrophobicContact CB-CG 4.12Å; V360-F363 HydrophobicContact CG1-CD2 3.86Å; V360-F363 HydrophobicContact CG1-CE2 4Å; V360-F363 VanDerWaalsContact O-CB 3.31Å; V360-F363 WeakPolarHBondContact O-CB 3.31Å; V360-F363 WeakPolarHBondContact O-CG 3.29Å; V360-F363 PolarHBondContact O-N 3.18Å; H361-F363 VanDerWaalsContact C-N 3.33Å; F363-Q367 VanDerWaalsContact CA-OE1 3.29Å; F363-Q367 HydrophobicContact CB-CB 3.82Å; F363-Q367 HydrophobicContact CD2-CB 4.17Å; F363-Q367 HydrophobicContact CG-CB 4.12Å; F363-I368 HydrophobicContact CB-CD1 4.44Å; F363-I368 HydrophobicContact CB-CG1 3.79Å; F363-Y371 HydrophobicContact CE2-CD2 4.21Å | ||
| 364 | S | 87.2 | Confident | 87.8 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | trans | -66.6 | 161.5 | 166.4 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | E366 Q367 I368 | S364-E366 PolarHBondContact O-N 3.26Å; S364-Q367 WeakPolarHBondContact O-CB 3.47Å; S364-Q367 PolarHBondContact O-N 3.1Å; S364-Q367 WeakPolarHBondContact OG-CG 3.37Å; S364-Q367 PolarHBondContact OG-N 2.85Å; S364-I368 WeakPolarHBondContact O-CG1 3.48Å; S364-I368 PolarHBondContact O-N 2.93Å | ||
| 365 | F | 86 | Confident | 87.8 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.8 | -39.9 | 175.7 | -177.4 | -100.5 | 0 | 0 | 0 | 112.2 | I368 V369 I410 A414 L421 K422 | F365-I368 PolarHBondContact O-N 3.5Å; F365-V369 HydrophobicContact CD1-CG2 4.27Å; F365-V369 HydrophobicContact CE1-CG2 3.97Å; F365-V369 HydrophobicContact CZ-CG2 4.26Å; F365-V369 WeakPolarHBondContact O-CG2 3.48Å; F365-V369 PolarHBondContact O-N 2.83Å; F365-I410 HydrophobicContact CE1-CG2 4.18Å; F365-I410 HydrophobicContact CZ-CG2 4.3Å; F365-A414 HydrophobicContact CD1-CB 4.33Å; F365-A414 HydrophobicContact CE1-CB 4.21Å; F365-L421 HydrophobicContact CE2-CB 4.21Å; F365-L421 HydrophobicContact CE2-CD2 3.8Å; F365-L421 HydrophobicContact CE2-CG 3.98Å; F365-L421 HydrophobicContact CZ-CB 4.42Å; F365-L421 HydrophobicContact CZ-CD2 3.9Å; F365-L421 HydrophobicContact CZ-CG 4.42Å; F365-K422 HydrophobicContact CE2-CB 4.25Å |
| 366 | E | 86.6 | Confident | 87.8 | Confident | 150 Ų | 150 | 71.8 Ų | 71.8 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.1 | -39 | 176 | -55.7 | 170.3 | 147.6 | 0 | 0 | 112.4 | S364 V369 S370 | S364-E366 PolarHBondContact O-N 3.26Å; E366-V369 PolarHBondContact O-N 3.32Å; E366-S370 VanDerWaalsContact O-CB 3.24Å; E366-S370 WeakPolarHBondContact O-CB 3.34Å; E366-S370 PolarHBondContact O-N 2.98Å; E366-S370 PolarHBondContact O-OG 3.24Å |
| 367 | Q | 88.8 | Confident | 88 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.7 | -33.6 | 174.9 | -72.6 | 170.7 | -12 | 0 | 0 | 111.7 | F363 S364 S370 Y371 | F363-Q367 VanDerWaalsContact CA-OE1 3.29Å; F363-Q367 HydrophobicContact CB-CB 3.82Å; F363-Q367 HydrophobicContact CD2-CB 4.17Å; F363-Q367 HydrophobicContact CG-CB 4.12Å; S364-Q367 WeakPolarHBondContact O-CB 3.47Å; S364-Q367 PolarHBondContact O-N 3.1Å; S364-Q367 WeakPolarHBondContact OG-CG 3.37Å; S364-Q367 PolarHBondContact OG-N 2.85Å; Q367-S370 CarbonylContact O-C 2.84Å; Q367-S370 PolarHBondContact O-N 3.32Å; Q367-Y371 VanDerWaalsContact O-CB 3.32Å; Q367-Y371 WeakPolarHBondContact O-CB 3.35Å; Q367-Y371 PolarHBondContact O-N 2.77Å |
| 368 | I | 89.7 | Confident | 88.2 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.6 | -46.6 | 173 | -65.2 | 166.2 | 0 | 0 | 0 | 110.8 | V360 F363 S364 F365 S370 Y371 I372 M425 | V360-I368 HydrophobicContact CB-CG1 4.21Å; F363-I368 HydrophobicContact CB-CD1 4.44Å; F363-I368 HydrophobicContact CB-CG1 3.79Å; S364-I368 WeakPolarHBondContact O-CG1 3.48Å; S364-I368 PolarHBondContact O-N 2.93Å; F365-I368 PolarHBondContact O-N 3.5Å; I368-S370 VanDerWaalsContact C-N 3.27Å; I368-S370 PolarHBondContact O-N 3.16Å; I368-Y371 WeakPolarHBondContact O-CB 3.24Å; I368-Y371 PolarHBondContact O-N 2.93Å; I368-Y371 VanDerWaalsContact O-N 3.13Å; I368-I372 HydrophobicContact CG2-CD1 4.15Å; I368-I372 WeakPolarHBondContact O-CG1 3.11Å; I368-I372 PolarHBondContact O-N 3.48Å; I368-M425 HydrophobicContact CD1-CG 4.27Å; I368-M425 HydrophobicContact CD1-SD 4.09Å; I368-M425 HydrophobicContact CG2-CE 3.67Å; I368-M425 HydrophobicContact CG2-SD 4.04Å |
| 369 | V | 90 | Very high | 88.3 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.6 | -43.9 | 172 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | F365 E366 Y371 I372 R373 F406 I410 L421 | F365-V369 HydrophobicContact CD1-CG2 4.27Å; F365-V369 HydrophobicContact CE1-CG2 3.97Å; F365-V369 HydrophobicContact CZ-CG2 4.26Å; F365-V369 WeakPolarHBondContact O-CG2 3.48Å; F365-V369 PolarHBondContact O-N 2.83Å; E366-V369 PolarHBondContact O-N 3.32Å; V369-Y371 VanDerWaalsContact C-N 3.35Å; V369-Y371 PolarHBondContact O-N 2.93Å; V369-I372 PolarHBondContact O-N 3.47Å; V369-R373 PolarHBondContact O-N 3.19Å; V369-F406 HydrophobicContact CG1-CE1 3.93Å; V369-F406 HydrophobicContact CG1-CZ 4.17Å; V369-I410 HydrophobicContact CG1-CD1 3.82Å; V369-I410 HydrophobicContact CG2-CD1 4.02Å; V369-I410 HydrophobicContact CG2-CG1 4.35Å; V369-L421 HydrophobicContact CG2-CD2 3.51Å |
| 370 | S | 89.4 | Confident | 88.6 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.2 | -25.5 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | E366 Q367 I368 R374 | E366-S370 VanDerWaalsContact O-CB 3.24Å; E366-S370 WeakPolarHBondContact O-CB 3.34Å; E366-S370 PolarHBondContact O-N 2.98Å; E366-S370 PolarHBondContact O-OG 3.24Å; Q367-S370 CarbonylContact O-C 2.84Å; Q367-S370 PolarHBondContact O-N 3.32Å; I368-S370 VanDerWaalsContact C-N 3.27Å; I368-S370 PolarHBondContact O-N 3.16Å; S370-R374 WeakPolarHBondContact O-CG 3.42Å; S370-R374 PolarHBondContact O-N 3.02Å; S370-R374 PolarHBondContact O-NE 2.96Å |
| 371 | Y | 91.1 | Very high | 88.8 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.7 | -46.4 | 170.5 | 171.8 | -87.6 | 0 | 0 | 0 | 110.2 | L354 T359 V360 F363 Q367 I368 V369 R373 R374 H375 | L354-Y371 HydrophobicContact CD1-CE1 4.02Å; T359-Y371 WeakPolarHBondContact CB-OH 3.42Å; T359-Y371 PolarHBondContact OG1-OH 3.19Å; T359-Y371 VanDerWaalsContact OG1-OH 3.05Å; V360-Y371 HydrophobicContact CG1-CD1 3.7Å; V360-Y371 HydrophobicContact CG1-CD2 4.04Å; V360-Y371 HydrophobicContact CG1-CE1 3.96Å; V360-Y371 HydrophobicContact CG1-CE2 4.25Å; V360-Y371 HydrophobicContact CG1-CG 3.76Å; F363-Y371 HydrophobicContact CE2-CD2 4.21Å; Q367-Y371 VanDerWaalsContact O-CB 3.32Å; Q367-Y371 WeakPolarHBondContact O-CB 3.35Å; Q367-Y371 PolarHBondContact O-N 2.77Å; I368-Y371 WeakPolarHBondContact O-CB 3.24Å; I368-Y371 PolarHBondContact O-N 2.93Å; I368-Y371 VanDerWaalsContact O-N 3.13Å; V369-Y371 VanDerWaalsContact C-N 3.35Å; V369-Y371 PolarHBondContact O-N 2.93Å; Y371-R373 PolarHBondContact O-N 3.06Å; Y371-R374 CarbonylContact O-C 3.57Å; Y371-R374 PolarHBondContact O-N 3.48Å; Y371-H375 PolarHBondContact O-N 3.42Å |
| 372 | I | 91.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 178.9 | -68.7 | 170 | 0 | 0 | 0 | 111.1 | L350 L353 I368 V369 R374 H375 F378 F382 F406 L421 | L350-I372 HydrophobicContact CD2-CD1 4.22Å; L353-I372 HydrophobicContact CD1-CG2 4.28Å; I368-I372 HydrophobicContact CG2-CD1 4.15Å; I368-I372 WeakPolarHBondContact O-CG1 3.11Å; I368-I372 PolarHBondContact O-N 3.48Å; V369-I372 PolarHBondContact O-N 3.47Å; I372-R374 PolarHBondContact O-N 2.95Å; I372-H375 WeakPolarHBondContact O-CB 3.45Å; I372-H375 PolarHBondContact O-N 2.91Å; I372-F378 HydrophobicContact CG2-CD2 3.94Å; I372-F378 HydrophobicContact CG2-CE2 4.14Å; I372-F378 WeakPolarHBondContact O-CB 3.38Å; I372-F378 VanDerWaalsContact O-CD2 3.25Å; I372-F378 WeakPolarHBondContact O-CD2 3.35Å; I372-F378 WeakPolarHBondContact O-CG 3.42Å; I372-F382 HydrophobicContact CG2-CD2 4.48Å; I372-F382 HydrophobicContact CG2-CE2 4.1Å; I372-F406 HydrophobicContact CB-CZ 4.21Å; I372-F406 HydrophobicContact CG2-CE2 3.68Å; I372-F406 HydrophobicContact CG2-CZ 3.78Å; I372-L421 HydrophobicContact CD1-CD1 3.41Å; I372-L421 VanDerWaalsContact CD1-CD1 3.41Å; I372-L421 HydrophobicContact CD1-CD2 4.34Å |
| 373 | R | 90.7 | Very high | 89.3 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.9 | -31.4 | 172.6 | -83.4 | -176 | 160 | 134.1 | 3.4 | 114.4 | V369 Y371 F378 D384 F406 | V369-R373 PolarHBondContact O-N 3.19Å; Y371-R373 PolarHBondContact O-N 3.06Å; R373-F378 HydrophobicContact CB-CE1 4.24Å; R373-F378 HydrophobicContact CB-CZ 4.31Å; R373-F378 HydrophobicContact CG-CE1 3.9Å; R373-F378 HydrophobicContact CG-CE2 4.15Å; R373-F378 HydrophobicContact CG-CZ 3.62Å; R373-F378 VanDerWaalsContact O-CD1 3.29Å; R373-F378 WeakPolarHBondContact O-CD1 3.32Å; R373-D384 WeakPolarHBondContact CD-OD2 3.39Å; R373-D384 IonicContact CZ-OD1 2.74Å; R373-D384 VanDerWaalsContact CZ-OD1 3.27Å; R373-D384 IonicContact CZ-OD2 3.7Å; R373-D384 VanDerWaalsContact NE-CG 3.33Å; R373-D384 IonicContact NE-OD1 3.79Å; R373-D384 PolarHBondContact NE-OD1 3.04Å; R373-D384 IonicContact NE-OD2 3.5Å; R373-D384 PolarHBondContact NE-OD2 3.34Å; R373-D384 IonicContact NH2-OD1 3.6Å; R373-D384 PolarHBondContact NH2-OD1 2.99Å; R373-D384 IonicContact NH2-OD2 3.38Å; R373-F406 HydrophobicContact CG-CD1 4.17Å; R373-F406 HydrophobicContact CG-CE1 3.61Å; R373-F406 HydrophobicContact CG-CZ 4.39Å |
| 374 | R | 89.5 | Confident | 88.6 | Confident | 187 Ų | 187 | 63.1 Ų | 63.1 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.1 | 179.5 | -71 | 179.1 | -66.3 | 164 | 2.4 | 113.3 | S370 Y371 I372 | S370-R374 WeakPolarHBondContact O-CG 3.42Å; S370-R374 PolarHBondContact O-N 3.02Å; S370-R374 PolarHBondContact O-NE 2.96Å; Y371-R374 CarbonylContact O-C 3.57Å; Y371-R374 PolarHBondContact O-N 3.48Å; I372-R374 PolarHBondContact O-N 2.95Å |
| 375 | H | 92.6 | Very high | 87.3 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -70.1 | 137.9 | 178 | -169.4 | -101.8 | 0 | 0 | 0 | 111 | L353 Y371 I372 E377 F378 | L353-H375 HydrophobicContact CD2-CB 4.47Å; L353-H375 WeakPolarHBondContact CD2-ND1 3.48Å; Y371-H375 PolarHBondContact O-N 3.42Å; I372-H375 WeakPolarHBondContact O-CB 3.45Å; I372-H375 PolarHBondContact O-N 2.91Å; H375-E377 PolarHBondContact ND1-N 3.18Å; H375-E377 PolarHBondContact O-N 3.44Å; H375-F378 HydrophobicContact CB-CB 4.38Å; H375-F378 WeakPolarHBondContact O-CB 3.44Å; H375-F378 PolarHBondContact O-N 2.74Å |
| 376 | K | 90.5 | Very high | 85.3 | Confident | 160 Ų | 160 | 66 Ų | 66 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23 | -176.1 | 72.8 | -163.6 | 167.6 | 84.7 | 0 | 114.9 | ||
| 377 | E | 90.6 | Very high | 83.1 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 4.3 | -178.5 | -48 | -174.3 | -172.1 | 0 | 0 | 112.6 | H352 L353 H375 S379 L380 C381 | H352-E377 IonicContact CD2-OE2 3.67Å; H352-E377 IonicContact CE1-OE2 3.74Å; H352-E377 IonicContact NE2-OE2 2.9Å; H352-E377 PolarHBondContact NE2-OE2 3.49Å; L353-E377 HydrophobicContact CD2-CB 4.19Å; H375-E377 PolarHBondContact ND1-N 3.18Å; H375-E377 PolarHBondContact O-N 3.44Å; E377-S379 VanDerWaalsContact C-N 3.29Å; E377-S379 PolarHBondContact O-N 3.03Å; E377-L380 HydrophobicContact CB-CD1 4.23Å; E377-L380 HydrophobicContact CG-CD1 4.45Å; E377-L380 WeakPolarHBondContact O-CB 3.42Å; E377-L380 PolarHBondContact O-N 2.92Å; E377-C381 PolarHBondContact O-N 3.06Å; E377-C381 VanDerWaalsContact O-N 3.16Å |
| 378 | F | 92 | Very high | 80.9 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.6 | -45.7 | 179.8 | 177.8 | -112.5 | 0 | 0 | 0 | 111.7 | I372 R373 H375 L380 C381 F382 D384 F406 | I372-F378 HydrophobicContact CG2-CD2 3.94Å; I372-F378 HydrophobicContact CG2-CE2 4.14Å; I372-F378 WeakPolarHBondContact O-CB 3.38Å; I372-F378 VanDerWaalsContact O-CD2 3.25Å; I372-F378 WeakPolarHBondContact O-CD2 3.35Å; I372-F378 WeakPolarHBondContact O-CG 3.42Å; R373-F378 HydrophobicContact CB-CE1 4.24Å; R373-F378 HydrophobicContact CB-CZ 4.31Å; R373-F378 HydrophobicContact CG-CE1 3.9Å; R373-F378 HydrophobicContact CG-CE2 4.15Å; R373-F378 HydrophobicContact CG-CZ 3.62Å; R373-F378 VanDerWaalsContact O-CD1 3.29Å; R373-F378 WeakPolarHBondContact O-CD1 3.32Å; H375-F378 HydrophobicContact CB-CB 4.38Å; H375-F378 WeakPolarHBondContact O-CB 3.44Å; H375-F378 PolarHBondContact O-N 2.74Å; F378-L380 PolarHBondContact O-N 3.35Å; F378-C381 PolarHBondContact O-N 3.47Å; F378-F382 HydrophobicContact CD2-CB 4.07Å; F378-F382 AromaticContact CD2-CD2 3.65Å; F378-F382 HydrophobicContact CD2-CD2 3.65Å; F378-F382 HydrophobicContact CD2-CG 4.32Å; F378-F382 HydrophobicContact CE2-CB 3.75Å; F378-F382 AromaticContact CE2-CD2 3.64Å; F378-F382 HydrophobicContact CE2-CD2 3.64Å; F378-F382 HydrophobicContact CE2-CG 4.03Å; F378-F382 HydrophobicContact CZ-CB 4.22Å; F378-F382 WeakPolarHBondContact O-CA 3.25Å; F378-F382 PolarHBondContact O-N 3.21Å; F378-D384 HydrophobicContact CE1-CB 3.55Å; F378-D384 WeakPolarHBondContact CE1-OD2 3.1Å; F378-D384 HydrophobicContact CZ-CB 3.74Å; F378-F406 HydrophobicContact CE2-CB 4.35Å; F378-F406 AromaticContact CE2-CD1 3.79Å; F378-F406 HydrophobicContact CE2-CD1 3.79Å; F378-F406 AromaticContact CE2-CD2 3.73Å; F378-F406 HydrophobicContact CE2-CD2 3.73Å; F378-F406 AromaticContact CE2-CE1 3.93Å; F378-F406 HydrophobicContact CE2-CE1 3.93Å; F378-F406 AromaticContact CE2-CE2 3.88Å; F378-F406 HydrophobicContact CE2-CE2 3.88Å; F378-F406 AromaticContact CE2-CG 3.69Å; F378-F406 HydrophobicContact CE2-CG 3.69Å; F378-F406 AromaticContact CE2-CZ 3.97Å; F378-F406 HydrophobicContact CE2-CZ 3.97Å; F378-F406 HydrophobicContact CZ-CB 4.19Å; F378-F406 AromaticContact CZ-CD1 3.63Å; F378-F406 HydrophobicContact CZ-CD1 3.63Å; F378-F406 HydrophobicContact CZ-CD2 4.32Å; F378-F406 HydrophobicContact CZ-CE1 4.01Å; F378-F406 AromaticContact CZ-CG 3.8Å; F378-F406 HydrophobicContact CZ-CG 3.8Å |
| 379 | S | 88.6 | Confident | 78.2 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 49% | 0.49 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.7 | -9.1 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | E377 R403 | E377-S379 VanDerWaalsContact C-N 3.29Å; E377-S379 PolarHBondContact O-N 3.03Å; S379-R403 WeakPolarHBondContact O-CD 3.49Å; S379-R403 PolarHBondContact O-NH1 3.28Å |
| 380 | L | 88.5 | Confident | 75.6 | Confident | 121 Ų | 121 | 77.6 Ų | 77.6 | 63% | 0.634 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -96.2 | -24.2 | 174 | -58.5 | 173.6 | 0 | 0 | 0 | 112.6 | E377 F378 R403 | E377-L380 HydrophobicContact CB-CD1 4.23Å; E377-L380 HydrophobicContact CG-CD1 4.45Å; E377-L380 WeakPolarHBondContact O-CB 3.42Å; E377-L380 PolarHBondContact O-N 2.92Å; F378-L380 PolarHBondContact O-N 3.35Å; L380-R403 WeakPolarHBondContact O-CG 3.32Å |
| 381 | C | 88.9 | Confident | 73.2 | Confident | 22 Ų | 22 | 79.4 Ų | 79.4 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -103 | -36 | -178.6 | -63.9 | 0 | 0 | 0 | 0 | 113 | I349 L353 E377 F378 R403 V404 | I349-C381 HydrophobicContact CD1-CB 4.35Å; I349-C381 HydrophobicContact CG1-CB 4.31Å; I349-C381 HydrophobicContact CG2-CB 3.64Å; L353-C381 HydrophobicContact CD1-CB 4.28Å; E377-C381 PolarHBondContact O-N 3.06Å; E377-C381 VanDerWaalsContact O-N 3.16Å; F378-C381 PolarHBondContact O-N 3.47Å; C381-R403 WeakPolarHBondContact O-CA 3.44Å; C381-V404 PolarHBondContact O-N 2.9Å |
| 382 | F | 90.7 | Very high | 70.5 | Confident | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.009 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.7 | -171.8 | -68.9 | -65.3 | 0 | 0 | 0 | 113 | I349 L350 L353 I372 F378 V404 F406 A409 | I349-F382 HydrophobicContact CB-CZ 4.43Å; I349-F382 HydrophobicContact CG2-CD2 4.13Å; I349-F382 HydrophobicContact CG2-CE1 4.1Å; I349-F382 HydrophobicContact CG2-CE2 3.48Å; I349-F382 VanDerWaalsContact CG2-CE2 3.48Å; I349-F382 HydrophobicContact CG2-CZ 3.46Å; I349-F382 VanDerWaalsContact CG2-CZ 3.46Å; L350-F382 HydrophobicContact CD2-CZ 4.21Å; L353-F382 HydrophobicContact CD1-CD2 3.86Å; L353-F382 HydrophobicContact CD1-CE2 3.46Å; L353-F382 VanDerWaalsContact CD1-CE2 3.46Å; I372-F382 HydrophobicContact CG2-CD2 4.48Å; I372-F382 HydrophobicContact CG2-CE2 4.1Å; F378-F382 HydrophobicContact CD2-CB 4.07Å; F378-F382 AromaticContact CD2-CD2 3.65Å; F378-F382 HydrophobicContact CD2-CD2 3.65Å; F378-F382 HydrophobicContact CD2-CG 4.32Å; F378-F382 HydrophobicContact CE2-CB 3.75Å; F378-F382 AromaticContact CE2-CD2 3.64Å; F378-F382 HydrophobicContact CE2-CD2 3.64Å; F378-F382 HydrophobicContact CE2-CG 4.03Å; F378-F382 HydrophobicContact CZ-CB 4.22Å; F378-F382 WeakPolarHBondContact O-CA 3.25Å; F378-F382 PolarHBondContact O-N 3.21Å; F382-V404 CarbonylContact C-O 3.54Å; F382-V404 WeakPolarHBondContact CA-O 2.83Å; F382-V404 HydrophobicContact CD1-CB 3.91Å; F382-V404 HydrophobicContact CD1-CG1 4.21Å; F382-V404 WeakPolarHBondContact CD1-O 3.25Å; F382-V404 HydrophobicContact CE1-CB 4.17Å; F382-V404 HydrophobicContact CE1-CG1 4.19Å; F382-F406 HydrophobicContact CB-CB 4.11Å; F382-F406 HydrophobicContact CB-CD2 4.39Å; F382-F406 HydrophobicContact CD1-CB 4.26Å; F382-F406 AromaticContact CD1-CD2 3.84Å; F382-F406 HydrophobicContact CD1-CD2 3.84Å; F382-F406 AromaticContact CD2-CD2 3.78Å; F382-F406 HydrophobicContact CD2-CD2 3.78Å; F382-F406 HydrophobicContact CD2-CE2 4.17Å; F382-F406 AromaticContact CE1-CD2 3.93Å; F382-F406 HydrophobicContact CE1-CD2 3.93Å; F382-F406 AromaticContact CE2-CD2 3.82Å; F382-F406 HydrophobicContact CE2-CD2 3.82Å; F382-F406 AromaticContact CE2-CE2 3.92Å; F382-F406 HydrophobicContact CE2-CE2 3.92Å; F382-F406 HydrophobicContact CG-CB 4.27Å; F382-F406 AromaticContact CG-CD2 3.78Å; F382-F406 HydrophobicContact CG-CD2 3.78Å; F382-F406 HydrophobicContact CG-CG 4.37Å; F382-F406 AromaticContact CZ-CD2 3.91Å; F382-F406 HydrophobicContact CZ-CD2 3.91Å; F382-F406 HydrophobicContact CZ-CE2 4.18Å; F382-A409 HydrophobicContact CE1-CB 4.05Å; F382-A409 HydrophobicContact CZ-CB 4.04Å |
| 383 | Q | 84.4 | Confident | 67.8 | Low | 22 Ų | 22 | 86.4 Ų | 86.4 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.2 | 166.2 | -178.7 | 177.9 | -10.8 | 0 | 0 | 108.2 | D385 V404 F406 | Q383-D385 WeakPolarHBondContact CG-OD1 3.38Å; Q383-D385 WeakPolarHBondContact CG-OD2 3.24Å; Q383-D385 VanDerWaalsContact NE2-CG 3.31Å; Q383-D385 PolarHBondContact NE2-OD1 3.02Å; Q383-D385 PolarHBondContact NE2-OD2 3.18Å; Q383-D385 PolarHBondContact O-N 2.8Å; Q383-V404 PolarHBondContact N-O 2.99Å; Q383-F406 PolarHBondContact O-N 2.91Å |
| 384 | D | 72.4 | Confident | 65.5 | Low | 55 Ų | 55 | 84.8 Ų | 84.8 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | trans | -101.8 | 59.8 | -171.9 | -159.7 | 18.6 | 0 | 0 | 0 | 112.4 | R373 F378 T386 | R373-D384 WeakPolarHBondContact CD-OD2 3.39Å; R373-D384 IonicContact CZ-OD1 2.74Å; R373-D384 VanDerWaalsContact CZ-OD1 3.27Å; R373-D384 IonicContact CZ-OD2 3.7Å; R373-D384 VanDerWaalsContact NE-CG 3.33Å; R373-D384 IonicContact NE-OD1 3.79Å; R373-D384 PolarHBondContact NE-OD1 3.04Å; R373-D384 IonicContact NE-OD2 3.5Å; R373-D384 PolarHBondContact NE-OD2 3.34Å; R373-D384 IonicContact NH2-OD1 3.6Å; R373-D384 PolarHBondContact NH2-OD1 2.99Å; R373-D384 IonicContact NH2-OD2 3.38Å; F378-D384 HydrophobicContact CE1-CB 3.55Å; F378-D384 WeakPolarHBondContact CE1-OD2 3.1Å; F378-D384 HydrophobicContact CZ-CB 3.74Å; D384-T386 PolarHBondContact O-N 3.13Å | ||
| 385 | D | 60.2 | Low | 63 | Low | 55 Ų | 55 | 79.7 Ų | 79.7 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | trans | -69.3 | 97.5 | 175.2 | -52.3 | -47.9 | 0 | 0 | 0 | 109.1 | Q383 Y387 Y388 | Q383-D385 WeakPolarHBondContact CG-OD1 3.38Å; Q383-D385 WeakPolarHBondContact CG-OD2 3.24Å; Q383-D385 VanDerWaalsContact NE2-CG 3.31Å; Q383-D385 PolarHBondContact NE2-OD1 3.02Å; Q383-D385 PolarHBondContact NE2-OD2 3.18Å; Q383-D385 PolarHBondContact O-N 2.8Å; D385-Y387 PolarHBondContact O-N 2.79Å; D385-Y388 HydrophobicContact CB-CD2 4.06Å; D385-Y388 HydrophobicContact CB-CE2 4.1Å | ||
| 386 | T | 45 | Very low | 60.5 | Low | 108 Ų | 108 | 83.2 Ų | 83.2 | 66% | 0.663 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -78.9 | 8.8 | -175.3 | 35.1 | 0 | 0 | 0 | 0 | 114 | D384 | D384-T386 PolarHBondContact O-N 3.13Š|
| 387 | Y | 40.5 | Very low | 58.2 | Low | 201 Ų | 201 | 76.7 Ų | 76.7 | 79% | 0.788 | 42% | 0.416 | S | S | * | . | trans | -144.8 | 92.4 | 176.7 | -134.2 | -91 | 0 | 0 | 0 | 111.1 | D385 D389 | D385-Y387 PolarHBondContact O-N 2.79Å; Y387-D389 HydrophobicContact CD1-CB 4.27Å; Y387-D389 HydrophobicContact CE1-CB 4.38Å | ||
| 388 | Y | 43 | Very low | 56 | Low | 105 Ų | 105 | 75.4 Ų | 75.4 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | trans | -100.7 | 66.7 | 175.1 | -120.2 | -83.8 | 0 | 0 | 0 | 110.9 | D385 C390 H407 | D385-Y388 HydrophobicContact CB-CD2 4.06Å; D385-Y388 HydrophobicContact CB-CE2 4.1Å; Y388-C390 PolarHBondContact O-N 3.13Å; Y388-C390 VanDerWaalsContact O-N 3.17Å; Y388-H407 AromaticContact CD2-CE1 3.72Å; Y388-H407 AromaticContact CD2-ND1 3.48Å; Y388-H407 WeakPolarHBondContact CD2-ND1 3.44Å; Y388-H407 AromaticContact CE2-CE1 3.34Å; Y388-H407 WeakPolarHBondContact CE2-CE1 3.15Å; Y388-H407 AromaticContact CE2-ND1 3.47Å; Y388-H407 WeakPolarHBondContact CE2-ND1 3.39Å; Y388-H407 AromaticContact CZ-CE1 3.51Å | ||
| 389 | D | 32.9 | Very low | 53.8 | Low | 95 Ų | 95 | 82.2 Ų | 82.2 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | trans | -76.3 | 97.1 | 163.6 | -153.5 | -39.8 | 0 | 0 | 0 | 107.2 | Y387 S391 | Y387-D389 HydrophobicContact CD1-CB 4.27Å; Y387-D389 HydrophobicContact CE1-CB 4.38Å; D389-S391 PolarHBondContact O-N 3.49Å; D389-S391 PolarHBondContact OD1-OG 2.72Å | ||
| 390 | C | 35.2 | Very low | 52.2 | Low | 118 Ų | 118 | 87.3 Ų | 87.3 | 80% | 0.797 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 46.6 | -164.6 | -159.4 | 0 | 0 | 0 | 0 | 113 | Y388 | Y388-C390 PolarHBondContact O-N 3.13Å; Y388-C390 VanDerWaalsContact O-N 3.17Å |
| 391 | S | 37.5 | Very low | 51.1 | Low | 90 Ų | 90 | 84 Ų | 84 | 63% | 0.629 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.2 | -24.9 | -170.2 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | D389 | D389-S391 PolarHBondContact O-N 3.49Å; D389-S391 PolarHBondContact OD1-OG 2.72Å |
| 392 | T | 35.9 | Very low | 50.4 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 66% | 0.663 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | -21 | -161.2 | 23.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 393 | D | 34.8 | Very low | 50.1 | Low | 96 Ų | 96 | 91 Ų | 91 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | trans | -130.5 | 76.8 | -176.3 | -145.7 | -8 | 0 | 0 | 0 | 114.2 | N395 N396 | D393-N395 PolarHBondContact O-N 2.86Å; D393-N395 WeakPolarHBondContact OD1-CB 3.46Å; D393-N395 PolarHBondContact OD1-N 3.38Å; D393-N395 PolarHBondContact OD1-ND2 3.45Å; D393-N396 PolarHBondContact OD2-ND2 2.9Å | ||
| 394 | L | 42 | Very low | 50.3 | Low | 63 Ų | 63 | 90 Ų | 90 | 33% | 0.33 | 48% | 0.479 | S | S | . | . | trans | -75 | -7.9 | 170.8 | -143.9 | 68.9 | 0 | 0 | 0 | 112.4 | T296 F335 L398 | T296-L394 HydrophobicContact CG2-CB 4.02Å; T296-L394 HydrophobicContact CG2-CD2 3.96Å; F335-L394 HydrophobicContact CE1-CD1 4.34Å; F335-L394 HydrophobicContact CE2-CD1 4.49Å; F335-L394 HydrophobicContact CE2-CD2 4.07Å; F335-L394 HydrophobicContact CZ-CD1 3.96Å; F335-L394 HydrophobicContact CZ-CD2 3.69Å; F335-L394 HydrophobicContact CZ-CG 3.95Å; L394-L398 WeakPolarHBondContact O-CD1 3.35Å; L394-L398 WeakPolarHBondContact O-CD2 3.49Å; L394-L398 VanDerWaalsContact O-CG 3.31Å; L394-L398 WeakPolarHBondContact O-CG 3.33Å | ||
| 395 | N | 38.1 | Very low | 50.9 | Low | 79 Ų | 79 | 87.9 Ų | 87.9 | 42% | 0.422 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -21.9 | -157.5 | -52.5 | -66.8 | 0 | 0 | 0 | 114.6 | D393 L398 | D393-N395 PolarHBondContact O-N 2.86Å; D393-N395 WeakPolarHBondContact OD1-CB 3.46Å; D393-N395 PolarHBondContact OD1-N 3.38Å; D393-N395 PolarHBondContact OD1-ND2 3.45Å; N395-L398 WeakPolarHBondContact O-CD1 3.18Å; N395-L398 WeakPolarHBondContact O-CG 3.49Å |
| 396 | N | 39.1 | Very low | 52.3 | Low | 116 Ų | 116 | 85.3 Ų | 85.3 | 62% | 0.62 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -2 | -165.8 | -74.4 | -42.9 | 0 | 0 | 0 | 116.3 | D393 | D393-N396 PolarHBondContact OD2-ND2 2.9Š|
| 397 | V | 42.7 | Very low | 54.1 | Low | 24 Ų | 24 | 81.9 Ų | 81.9 | 15% | 0.145 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -100.5 | 26.4 | -176.2 | -157.9 | 0 | 0 | 0 | 0 | 112.3 | K338 P405 | K338-V397 PolarHBondContact NZ-O 3.49Å; V397-P405 HydrophobicContact CG1-CG 4.49Å |
| 398 | L | 43.3 | Very low | 56.2 | Low | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | trans | -122.2 | -2 | -144.5 | -59.5 | -161.5 | 0 | 0 | 0 | 118.1 | P292 E293 L394 N395 | P292-L398 HydrophobicContact CB-CD1 3.87Å; P292-L398 HydrophobicContact CB-CD2 3.6Å; P292-L398 HydrophobicContact CB-CG 4.25Å; P292-L398 HydrophobicContact CG-CB 4.45Å; P292-L398 HydrophobicContact CG-CD1 4.47Å; P292-L398 HydrophobicContact CG-CD2 3.92Å; P292-L398 HydrophobicContact CG-CG 4.5Å; E293-L398 HydrophobicContact CB-CD1 4.35Å; E293-L398 HydrophobicContact CG-CD1 3.73Å; E293-L398 VanDerWaalsContact N-CD1 3.31Å; L394-L398 WeakPolarHBondContact O-CD1 3.35Å; L394-L398 WeakPolarHBondContact O-CD2 3.49Å; L394-L398 VanDerWaalsContact O-CG 3.31Å; L394-L398 WeakPolarHBondContact O-CG 3.33Å; N395-L398 WeakPolarHBondContact O-CD1 3.18Å; N395-L398 WeakPolarHBondContact O-CG 3.49Å | ||
| 399 | H | 47.3 | Very low | 58.2 | Low | 159 Ų | 159 | 67.7 Ų | 67.7 | 74% | 0.736 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -83.4 | 178.2 | 159.7 | -71.4 | -27.9 | 0 | 0 | 0 | 111.1 | D401 | H399-D401 PolarHBondContact O-N 2.94Š|
| 400 | D | 54.3 | Low | 60.5 | Low | 177 Ų | 177 | 65 Ų | 65 | 95% | 0.947 | 36% | 0.361 | S | S | * | . | trans | -77.2 | 48.8 | -174.4 | -147.1 | 12.1 | 0 | 0 | 0 | 111.7 | S402 | D400-S402 PolarHBondContact O-N 2.76Š| ||
| 401 | D | 64.3 | Low | 62.1 | Low | 51 Ų | 51 | 63.2 Ų | 63.2 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | trans | -75.3 | 116.8 | -173.4 | -163.1 | -23.9 | 0 | 0 | 0 | 110.3 | H399 R403 | H399-D401 PolarHBondContact O-N 2.94Å; D401-R403 VanDerWaalsContact CG-NE 3.34Å; D401-R403 PolarHBondContact O-N 3.19Å; D401-R403 WeakPolarHBondContact OD1-CB 3.13Å; D401-R403 WeakPolarHBondContact OD1-CG 3.49Å; D401-R403 IonicContact OD1-CZ 3.24Å; D401-R403 PolarHBondContact OD1-N 3.03Å; D401-R403 IonicContact OD1-NE 3.5Å; D401-R403 PolarHBondContact OD1-NE 2.77Å; D401-R403 IonicContact OD2-CZ 3.81Å; D401-R403 IonicContact OD2-NE 3.86Å; D401-R403 PolarHBondContact OD2-NE 2.96Å; D401-R403 IonicContact OD2-NH2 3.53Å; D401-R403 PolarHBondContact OD2-NH2 3.19Å | ||
| 402 | S | 75.5 | Confident | 62.9 | Low | 89 Ų | 89 | 62.6 Ų | 62.6 | 62% | 0.622 | 34% | 0.335 | S | S | * | . | trans | -71.6 | -14.6 | 178.9 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | K345 D400 | K345-S402 PolarHBondContact NZ-O 2.73Å; D400-S402 PolarHBondContact O-N 2.76Å | ||
| 403 | R | 84.8 | Confident | 63.5 | Low | 82 Ų | 82 | 63.4 Ų | 63.4 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 159.6 | -175.7 | -62.6 | 177.7 | -61.9 | 171.8 | 7.2 | 112.2 | S379 L380 C381 D401 | S379-R403 WeakPolarHBondContact O-CD 3.49Å; S379-R403 PolarHBondContact O-NH1 3.28Å; L380-R403 WeakPolarHBondContact O-CG 3.32Å; C381-R403 WeakPolarHBondContact O-CA 3.44Å; D401-R403 VanDerWaalsContact CG-NE 3.34Å; D401-R403 PolarHBondContact O-N 3.19Å; D401-R403 WeakPolarHBondContact OD1-CB 3.13Å; D401-R403 WeakPolarHBondContact OD1-CG 3.49Å; D401-R403 IonicContact OD1-CZ 3.24Å; D401-R403 PolarHBondContact OD1-N 3.03Å; D401-R403 IonicContact OD1-NE 3.5Å; D401-R403 PolarHBondContact OD1-NE 2.77Å; D401-R403 IonicContact OD2-CZ 3.81Å; D401-R403 IonicContact OD2-NE 3.86Å; D401-R403 PolarHBondContact OD2-NE 2.96Å; D401-R403 IonicContact OD2-NH2 3.53Å; D401-R403 PolarHBondContact OD2-NH2 3.19Å |
| 404 | V | 87 | Confident | 64.1 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.4 | 177.2 | 175 | 0 | 0 | 0 | 0 | 109.3 | S342 K345 V346 I349 C381 F382 Q383 F406 L408 | S342-V404 WeakPolarHBondContact O-CG2 3.34Å; K345-V404 HydrophobicContact CB-CG2 3.83Å; K345-V404 HydrophobicContact CD-CG2 3.75Å; K345-V404 HydrophobicContact CG-CG2 4.45Å; V346-V404 HydrophobicContact CG2-CG1 3.77Å; I349-V404 HydrophobicContact CD1-CB 4.29Å; I349-V404 HydrophobicContact CD1-CG2 3.69Å; C381-V404 PolarHBondContact O-N 2.9Å; F382-V404 CarbonylContact C-O 3.54Å; F382-V404 WeakPolarHBondContact CA-O 2.83Å; F382-V404 HydrophobicContact CD1-CB 3.91Å; F382-V404 HydrophobicContact CD1-CG1 4.21Å; F382-V404 WeakPolarHBondContact CD1-O 3.25Å; F382-V404 HydrophobicContact CE1-CB 4.17Å; F382-V404 HydrophobicContact CE1-CG1 4.19Å; Q383-V404 PolarHBondContact N-O 2.99Å; V404-F406 PolarHBondContact O-N 2.67Å; V404-L408 HydrophobicContact CG1-CB 4.11Å; V404-L408 HydrophobicContact CG1-CD1 4.21Å |
| 405 | P | 85.3 | Confident | 64.5 | Low | 11 Ų | 11 | 66.6 Ų | 66.6 | 7% | 0.071 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 121.9 | 168.4 | -26.8 | 35.5 | 0 | 0 | 0 | 110.7 | V397 H407 L408 | V397-P405 HydrophobicContact CG1-CG 4.49Å; P405-H407 WeakPolarHBondContact CB-CE1 3.35Å; P405-H407 WeakPolarHBondContact CB-ND1 3.35Å; P405-H407 PolarHBondContact O-N 3.49Å; P405-H407 VanDerWaalsContact O-N 3.12Å; P405-L408 HydrophobicContact CB-CD1 4.44Å; P405-L408 HydrophobicContact CB-CG 4.37Å; P405-L408 HydrophobicContact CG-CD1 4.39Å; P405-L408 WeakPolarHBondContact O-CB 3.46Å; P405-L408 PolarHBondContact O-N 2.73Å |
| 406 | F | 89.4 | Confident | 65.2 | Low | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -26.9 | -169.1 | -174.1 | -137.3 | 0 | 0 | 0 | 113 | V369 I372 R373 F378 F382 Q383 V404 L408 A409 I410 | V369-F406 HydrophobicContact CG1-CE1 3.93Å; V369-F406 HydrophobicContact CG1-CZ 4.17Å; I372-F406 HydrophobicContact CB-CZ 4.21Å; I372-F406 HydrophobicContact CG2-CE2 3.68Å; I372-F406 HydrophobicContact CG2-CZ 3.78Å; R373-F406 HydrophobicContact CG-CD1 4.17Å; R373-F406 HydrophobicContact CG-CE1 3.61Å; R373-F406 HydrophobicContact CG-CZ 4.39Å; F378-F406 HydrophobicContact CE2-CB 4.35Å; F378-F406 AromaticContact CE2-CD1 3.79Å; F378-F406 HydrophobicContact CE2-CD1 3.79Å; F378-F406 AromaticContact CE2-CD2 3.73Å; F378-F406 HydrophobicContact CE2-CD2 3.73Å; F378-F406 AromaticContact CE2-CE1 3.93Å; F378-F406 HydrophobicContact CE2-CE1 3.93Å; F378-F406 AromaticContact CE2-CE2 3.88Å; F378-F406 HydrophobicContact CE2-CE2 3.88Å; F378-F406 AromaticContact CE2-CG 3.69Å; F378-F406 HydrophobicContact CE2-CG 3.69Å; F378-F406 AromaticContact CE2-CZ 3.97Å; F378-F406 HydrophobicContact CE2-CZ 3.97Å; F378-F406 HydrophobicContact CZ-CB 4.19Å; F378-F406 AromaticContact CZ-CD1 3.63Å; F378-F406 HydrophobicContact CZ-CD1 3.63Å; F378-F406 HydrophobicContact CZ-CD2 4.32Å; F378-F406 HydrophobicContact CZ-CE1 4.01Å; F378-F406 AromaticContact CZ-CG 3.8Å; F378-F406 HydrophobicContact CZ-CG 3.8Å; F382-F406 HydrophobicContact CB-CB 4.11Å; F382-F406 HydrophobicContact CB-CD2 4.39Å; F382-F406 HydrophobicContact CD1-CB 4.26Å; F382-F406 AromaticContact CD1-CD2 3.84Å; F382-F406 HydrophobicContact CD1-CD2 3.84Å; F382-F406 AromaticContact CD2-CD2 3.78Å; F382-F406 HydrophobicContact CD2-CD2 3.78Å; F382-F406 HydrophobicContact CD2-CE2 4.17Å; F382-F406 AromaticContact CE1-CD2 3.93Å; F382-F406 HydrophobicContact CE1-CD2 3.93Å; F382-F406 AromaticContact CE2-CD2 3.82Å; F382-F406 HydrophobicContact CE2-CD2 3.82Å; F382-F406 AromaticContact CE2-CE2 3.92Å; F382-F406 HydrophobicContact CE2-CE2 3.92Å; F382-F406 HydrophobicContact CG-CB 4.27Å; F382-F406 AromaticContact CG-CD2 3.78Å; F382-F406 HydrophobicContact CG-CD2 3.78Å; F382-F406 HydrophobicContact CG-CG 4.37Å; F382-F406 AromaticContact CZ-CD2 3.91Å; F382-F406 HydrophobicContact CZ-CD2 3.91Å; F382-F406 HydrophobicContact CZ-CE2 4.18Å; Q383-F406 PolarHBondContact O-N 2.91Å; V404-F406 PolarHBondContact O-N 2.67Å; F406-L408 PolarHBondContact O-N 2.84Å; F406-A409 HydrophobicContact CD2-CB 4.23Å; F406-A409 HydrophobicContact CE2-CB 4.34Å; F406-A409 PolarHBondContact O-N 3.19Å; F406-I410 HydrophobicContact CD1-CD1 3.97Å; F406-I410 HydrophobicContact CE1-CD1 3.61Å; F406-I410 HydrophobicContact CE2-CD1 4.28Å; F406-I410 HydrophobicContact CG-CD1 4.45Å; F406-I410 HydrophobicContact CZ-CD1 3.8Å; F406-I410 HydrophobicContact CZ-CG1 4.47Å |
| 407 | H | 84.1 | Confident | 66 | Low | 37 Ų | 37 | 67.6 Ų | 67.6 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.6 | -35.2 | 172.1 | 73.3 | -103.6 | 0 | 0 | 0 | 111.8 | Y388 P405 A409 I410 E411 | Y388-H407 AromaticContact CD2-CE1 3.72Å; Y388-H407 AromaticContact CD2-ND1 3.48Å; Y388-H407 WeakPolarHBondContact CD2-ND1 3.44Å; Y388-H407 AromaticContact CE2-CE1 3.34Å; Y388-H407 WeakPolarHBondContact CE2-CE1 3.15Å; Y388-H407 AromaticContact CE2-ND1 3.47Å; Y388-H407 WeakPolarHBondContact CE2-ND1 3.39Å; Y388-H407 AromaticContact CZ-CE1 3.51Å; P405-H407 WeakPolarHBondContact CB-CE1 3.35Å; P405-H407 WeakPolarHBondContact CB-ND1 3.35Å; P405-H407 PolarHBondContact O-N 3.49Å; P405-H407 VanDerWaalsContact O-N 3.12Å; H407-A409 PolarHBondContact O-N 3.2Å; H407-A409 VanDerWaalsContact O-N 3.13Å; H407-I410 PolarHBondContact O-N 3.02Å; H407-E411 IonicContact CD2-OE1 2.66Å; H407-E411 IonicContact CD2-OE2 2.66Å; H407-E411 WeakPolarHBondContact O-CB 3.32Å; H407-E411 PolarHBondContact O-N 3Å |
| 408 | L | 84.5 | Confident | 67.1 | Low | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.1 | -14.3 | 179.2 | -62.9 | -178.5 | 0 | 0 | 0 | 114.6 | K339 L343 V404 P405 F406 | K339-L408 HydrophobicContact CD-CD2 3.79Å; K339-L408 HydrophobicContact CG-CD1 4.36Å; K339-L408 HydrophobicContact CG-CD2 3.86Å; L343-L408 HydrophobicContact CD2-CB 4.01Å; L343-L408 HydrophobicContact CD2-CD2 4.44Å; L343-L408 WeakPolarHBondContact CD2-O 3.32Å; V404-L408 HydrophobicContact CG1-CB 4.11Å; V404-L408 HydrophobicContact CG1-CD1 4.21Å; P405-L408 HydrophobicContact CB-CD1 4.44Å; P405-L408 HydrophobicContact CB-CG 4.37Å; P405-L408 HydrophobicContact CG-CD1 4.39Å; P405-L408 WeakPolarHBondContact O-CB 3.46Å; P405-L408 PolarHBondContact O-N 2.73Å; F406-L408 PolarHBondContact O-N 2.84Å |
| 409 | A | 84.2 | Confident | 68.9 | Low | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -86.5 | -18.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | V346 F382 F406 H407 L421 | V346-A409 HydrophobicContact CG1-CB 3.85Å; F382-A409 HydrophobicContact CE1-CB 4.05Å; F382-A409 HydrophobicContact CZ-CB 4.04Å; F406-A409 HydrophobicContact CD2-CB 4.23Å; F406-A409 HydrophobicContact CE2-CB 4.34Å; F406-A409 PolarHBondContact O-N 3.19Å; H407-A409 PolarHBondContact O-N 3.2Å; H407-A409 VanDerWaalsContact O-N 3.13Å; A409-L421 WeakPolarHBondContact O-CB 3.42Å; A409-L421 PolarHBondContact O-N 3.03Å |
| 410 | I | 81.7 | Confident | 70.8 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.195 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -114.5 | -33.8 | -169.8 | -55.2 | 172.1 | 0 | 0 | 0 | 111.7 | F365 V369 F406 H407 C419 L421 | F365-I410 HydrophobicContact CE1-CG2 4.18Å; F365-I410 HydrophobicContact CZ-CG2 4.3Å; V369-I410 HydrophobicContact CG1-CD1 3.82Å; V369-I410 HydrophobicContact CG2-CD1 4.02Å; V369-I410 HydrophobicContact CG2-CG1 4.35Å; F406-I410 HydrophobicContact CD1-CD1 3.97Å; F406-I410 HydrophobicContact CE1-CD1 3.61Å; F406-I410 HydrophobicContact CE2-CD1 4.28Å; F406-I410 HydrophobicContact CG-CD1 4.45Å; F406-I410 HydrophobicContact CZ-CD1 3.8Å; F406-I410 HydrophobicContact CZ-CG1 4.47Å; H407-I410 PolarHBondContact O-N 3.02Å; I410-C419 PolarHBondContact O-SG 3.26Å; I410-L421 HydrophobicContact CG1-CD2 4.44Å |
| 411 | E | 68.6 | Low | 72.5 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 31% | 0.308 | S | S | . | . | trans | -78.8 | 145.9 | -172.2 | -175.8 | -171.6 | -100.2 | 0 | 0 | 112.7 | K339 H407 | K339-E411 IonicContact NZ-OE2 2.69Å; K339-E411 PolarHBondContact NZ-OE2 3.12Å; H407-E411 IonicContact CD2-OE1 2.66Å; H407-E411 IonicContact CD2-OE2 2.66Å; H407-E411 WeakPolarHBondContact O-CB 3.32Å; H407-E411 PolarHBondContact O-N 3Å | ||
| 412 | P | 53.4 | Low | 73.5 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | S | Bend | cis | -98.6 | 119.7 | -0.7 | 2.5 | 19.2 | 0 | 0 | 0 | 112.7 | S416 | P412-S416 WeakPolarHBondContact O-CB 3.47Å; P412-S416 PolarHBondContact O-OG 3.15Å |
| 413 | I | 48.7 | Very low | 74.1 | Confident | 126 Ų | 126 | 60.1 Ų | 60.1 | 65% | 0.646 | 31% | 0.307 | S | S | * | . | trans | 64.6 | 137.5 | 166.1 | -48.6 | 175.8 | 0 | 0 | 0 | 114.2 | E415 S416 | I413-E415 PolarHBondContact O-N 3.05Å; I413-S416 PolarHBondContact O-N 2.91Å | ||
| 414 | A | 48.9 | Very low | 74.4 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F365 | F365-A414 HydrophobicContact CD1-CB 4.33Å; F365-A414 HydrophobicContact CE1-CB 4.21Å |
| 415 | E | 48.5 | Very low | 74.5 | Confident | 169 Ų | 169 | 57.4 Ų | 57.4 | 79% | 0.79 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -20.6 | -175.6 | -62.1 | 176.8 | 165.8 | 0 | 0 | 112.9 | I413 | I413-E415 PolarHBondContact O-N 3.05Š|
| 416 | S | 53.5 | Low | 74.6 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -78.3 | 143.6 | -177.3 | 80.3 | 0 | 0 | 0 | 0 | 113 | P412 I413 N418 | P412-S416 WeakPolarHBondContact O-CB 3.47Å; P412-S416 PolarHBondContact O-OG 3.15Å; I413-S416 PolarHBondContact O-N 2.91Å; S416-N418 PolarHBondContact O-N 3.26Å; S416-N418 VanDerWaalsContact O-N 3.16Å |
| 417 | E | 55.8 | Low | 74.6 | Confident | 178 Ų | 178 | 67.5 Ų | 67.5 | 83% | 0.832 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.6 | 179.4 | -61.9 | -174.2 | 132 | 0 | 0 | 113.7 | ||
| 418 | N | 65.4 | Low | 74.9 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 70% | 0.695 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.6 | -172.6 | -62.9 | -59.9 | 0 | 0 | 0 | 114.1 | S416 L420 | S416-N418 PolarHBondContact O-N 3.26Å; S416-N418 VanDerWaalsContact O-N 3.16Å; N418-L420 PolarHBondContact O-N 3.26Å; N418-L420 VanDerWaalsContact O-N 3.15Å |
| 419 | C | 82.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -62.5 | 114.2 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | I410 L421 K422 Q423 | I410-C419 PolarHBondContact O-SG 3.26Å; C419-L421 VanDerWaalsContact C-N 3.27Å; C419-L421 PolarHBondContact O-N 3.15Å; C419-K422 HydrophobicContact CB-CB 3.85Å; C419-K422 WeakPolarHBondContact O-CB 3.43Å; C419-K422 PolarHBondContact O-N 2.94Å; C419-Q423 PolarHBondContact O-N 3.04Å | ||
| 420 | L | 86.3 | Confident | 75.3 | Confident | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -35.6 | -175.7 | -65.8 | -179.6 | 0 | 0 | 0 | 112.8 | L343 V346 N418 H424 | L343-L420 HydrophobicContact CD2-CD1 3.76Å; V346-L420 HydrophobicContact CB-CD1 3.86Å; V346-L420 HydrophobicContact CG1-CB 3.94Å; V346-L420 HydrophobicContact CG1-CD1 3.81Å; V346-L420 HydrophobicContact CG2-CD1 4.34Å; N418-L420 PolarHBondContact O-N 3.26Å; N418-L420 VanDerWaalsContact O-N 3.15Å; L420-H424 WeakPolarHBondContact O-CB 3.48Å; L420-H424 PolarHBondContact O-N 3.16Å |
| 421 | L | 89.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 174.2 | -176.1 | 64.6 | 0 | 0 | 0 | 112.2 | L350 F365 V369 I372 A409 I410 C419 H424 M425 | L350-L421 HydrophobicContact CD1-CB 4.42Å; L350-L421 HydrophobicContact CD1-CD1 4.11Å; L350-L421 HydrophobicContact CD2-CD1 3.66Å; F365-L421 HydrophobicContact CE2-CB 4.21Å; F365-L421 HydrophobicContact CE2-CD2 3.8Å; F365-L421 HydrophobicContact CE2-CG 3.98Å; F365-L421 HydrophobicContact CZ-CB 4.42Å; F365-L421 HydrophobicContact CZ-CD2 3.9Å; F365-L421 HydrophobicContact CZ-CG 4.42Å; V369-L421 HydrophobicContact CG2-CD2 3.51Å; I372-L421 HydrophobicContact CD1-CD1 3.41Å; I372-L421 VanDerWaalsContact CD1-CD1 3.41Å; I372-L421 HydrophobicContact CD1-CD2 4.34Å; A409-L421 WeakPolarHBondContact O-CB 3.42Å; A409-L421 PolarHBondContact O-N 3.03Å; I410-L421 HydrophobicContact CG1-CD2 4.44Å; C419-L421 VanDerWaalsContact C-N 3.27Å; C419-L421 PolarHBondContact O-N 3.15Å; L421-H424 PolarHBondContact O-N 2.79Å; L421-M425 HydrophobicContact CD1-CE 3.27Å; L421-M425 HydrophobicContact CG-CE 3.85Å; L421-M425 WeakPolarHBondContact O-CE 3.2Å; L421-M425 WeakPolarHBondContact O-CG 3.4Å; L421-M425 PolarHBondContact O-N 2.84Å |
| 422 | K | 86.3 | Confident | 76.5 | Confident | 68 Ų | 68 | 73 Ų | 73 | 30% | 0.296 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 177.9 | -172.4 | 176.8 | 178.5 | 177.4 | 0 | 111 | F365 C419 H424 M425 D426 | F365-K422 HydrophobicContact CE2-CB 4.25Å; C419-K422 HydrophobicContact CB-CB 3.85Å; C419-K422 WeakPolarHBondContact O-CB 3.43Å; C419-K422 PolarHBondContact O-N 2.94Å; K422-H424 PolarHBondContact O-N 3.49Å; K422-M425 WeakPolarHBondContact O-CA 3.32Å; K422-M425 WeakPolarHBondContact O-CB 3.44Å; K422-M425 PolarHBondContact O-N 2.77Å; K422-D426 PolarHBondContact O-N 3.24Å |
| 423 | Q | 87.5 | Confident | 78.1 | Confident | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.7 | -35.7 | 175.2 | -167.7 | -173.3 | 37.2 | 0 | 0 | 112.5 | C419 R427 | C419-Q423 PolarHBondContact O-N 3.04Å; Q423-R427 WeakPolarHBondContact O-CB 3.4Å; Q423-R427 PolarHBondContact O-N 2.84Å |
| 424 | H | 90.8 | Very high | 80 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.046 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 173.1 | -171.8 | 66.1 | 0 | 0 | 0 | 112.2 | L350 L354 L420 L421 K422 D426 R427 L428 | L350-H424 HydrophobicContact CD1-CB 4.08Å; L350-H424 PolarHBondContact O-NE2 2.74Å; L350-H424 VanDerWaalsContact O-NE2 3.15Å; L354-H424 PolarHBondContact O-NE2 2.71Å; L420-H424 WeakPolarHBondContact O-CB 3.48Å; L420-H424 PolarHBondContact O-N 3.16Å; L421-H424 PolarHBondContact O-N 2.79Å; K422-H424 PolarHBondContact O-N 3.49Å; H424-D426 PolarHBondContact O-N 2.72Å; H424-R427 WeakPolarHBondContact O-CB 3.45Å; H424-R427 PolarHBondContact O-N 3.27Å; H424-L428 WeakPolarHBondContact O-CG 3.19Å; H424-L428 PolarHBondContact O-N 3.43Å |
| 425 | M | 89.4 | Confident | 81.9 | Confident | 15 Ų | 15 | 75.8 Ų | 75.8 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 172.6 | -58.7 | -47 | 132.1 | 0 | 0 | 112.1 | L354 L357 I368 L421 K422 R427 L428 T429 | L354-M425 HydrophobicContact CD2-CE 3.49Å; L354-M425 VanDerWaalsContact CD2-CE 3.49Å; L354-M425 HydrophobicContact CD2-SD 3.54Å; L354-M425 VanDerWaalsContact CD2-SD 3.54Å; L357-M425 HydrophobicContact CD2-SD 4.22Å; I368-M425 HydrophobicContact CD1-CG 4.27Å; I368-M425 HydrophobicContact CD1-SD 4.09Å; I368-M425 HydrophobicContact CG2-CE 3.67Å; I368-M425 HydrophobicContact CG2-SD 4.04Å; L421-M425 HydrophobicContact CD1-CE 3.27Å; L421-M425 HydrophobicContact CG-CE 3.85Å; L421-M425 WeakPolarHBondContact O-CE 3.2Å; L421-M425 WeakPolarHBondContact O-CG 3.4Å; L421-M425 PolarHBondContact O-N 2.84Å; K422-M425 WeakPolarHBondContact O-CA 3.32Å; K422-M425 WeakPolarHBondContact O-CB 3.44Å; K422-M425 PolarHBondContact O-N 2.77Å; M425-R427 VanDerWaalsContact C-N 3.31Å; M425-R427 PolarHBondContact O-N 2.88Å; M425-L428 PolarHBondContact O-N 3.14Å; M425-T429 VanDerWaalsContact O-CB 3.32Å; M425-T429 WeakPolarHBondContact O-CB 3.48Å; M425-T429 PolarHBondContact O-N 3.12Å; M425-T429 PolarHBondContact O-OG1 3.35Å |
| 426 | D | 88.4 | Confident | 83.8 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 179.8 | -63.9 | -34.2 | 0 | 0 | 0 | 111 | K422 H424 T429 N430 | K422-D426 PolarHBondContact O-N 3.24Å; H424-D426 PolarHBondContact O-N 2.72Å; D426-T429 PolarHBondContact O-N 3.15Å; D426-N430 WeakPolarHBondContact O-CB 3.44Å; D426-N430 PolarHBondContact O-N 2.98Å; D426-N430 PolarHBondContact O-ND2 3.16Å |
| 427 | R | 89.4 | Confident | 85.7 | Confident | 143 Ų | 143 | 71.2 Ų | 71.2 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62 | -49.6 | 172.2 | 178.6 | -179.5 | 176.5 | 175.9 | -1.1 | 111.7 | Q423 H424 M425 T429 N430 I431 | Q423-R427 WeakPolarHBondContact O-CB 3.4Å; Q423-R427 PolarHBondContact O-N 2.84Å; H424-R427 WeakPolarHBondContact O-CB 3.45Å; H424-R427 PolarHBondContact O-N 3.27Å; M425-R427 VanDerWaalsContact C-N 3.31Å; M425-R427 PolarHBondContact O-N 2.88Å; R427-T429 VanDerWaalsContact C-N 3.32Å; R427-T429 PolarHBondContact O-N 3.33Å; R427-N430 PolarHBondContact O-N 2.99Å; R427-I431 HydrophobicContact CG-CD1 4Å; R427-I431 VanDerWaalsContact O-CG1 3.28Å; R427-I431 WeakPolarHBondContact O-CG1 3.25Å; R427-I431 PolarHBondContact O-N 3.19Å |
| 428 | L | 90.2 | Very high | 87.4 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 178.8 | -66.9 | 179.7 | 0 | 0 | 0 | 112 | L354 P355 L357 H424 M425 I431 R432 | L354-L428 HydrophobicContact CD2-CD1 3.97Å; L354-L428 HydrophobicContact CG-CD1 4.13Å; P355-L428 WeakPolarHBondContact O-CD2 3.15Å; L357-L428 HydrophobicContact CD1-CB 4.18Å; L357-L428 HydrophobicContact CD2-CB 3.93Å; L357-L428 HydrophobicContact CD2-CD1 4.02Å; L357-L428 HydrophobicContact CG-CB 3.79Å; L357-L428 HydrophobicContact CG-CD1 4.42Å; H424-L428 WeakPolarHBondContact O-CG 3.19Å; H424-L428 PolarHBondContact O-N 3.43Å; M425-L428 PolarHBondContact O-N 3.14Å; L428-I431 PolarHBondContact O-N 3.37Å; L428-R432 PolarHBondContact O-N 2.97Å |
| 429 | T | 89.1 | Confident | 88.5 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | L357 M425 D426 R427 I431 R432 R433 | L357-T429 WeakPolarHBondContact CD1-OG1 3.27Å; M425-T429 VanDerWaalsContact O-CB 3.32Å; M425-T429 WeakPolarHBondContact O-CB 3.48Å; M425-T429 PolarHBondContact O-N 3.12Å; M425-T429 PolarHBondContact O-OG1 3.35Å; D426-T429 PolarHBondContact O-N 3.15Å; R427-T429 VanDerWaalsContact C-N 3.32Å; R427-T429 PolarHBondContact O-N 3.33Å; T429-I431 VanDerWaalsContact C-N 3.33Å; T429-I431 PolarHBondContact O-N 2.87Å; T429-R432 PolarHBondContact O-N 3.05Å; T429-R433 WeakPolarHBondContact O-CB 3.44Å; T429-R433 PolarHBondContact O-N 3.21Å |
| 430 | N | 88.3 | Confident | 88.8 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.4 | -25.8 | 175.1 | -77.3 | -68.4 | 0 | 0 | 0 | 113.5 | D426 R427 R433 R434 | D426-N430 WeakPolarHBondContact O-CB 3.44Å; D426-N430 PolarHBondContact O-N 2.98Å; D426-N430 PolarHBondContact O-ND2 3.16Å; R427-N430 PolarHBondContact O-N 2.99Å; N430-R433 PolarHBondContact OD1-NH2 3.19Å; N430-R434 PolarHBondContact O-N 3.04Å |
| 431 | I | 87.9 | Confident | 89 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 29% | 0.292 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.8 | -51.2 | 168.5 | -71.4 | 165.3 | 0 | 0 | 0 | 109.8 | R427 L428 T429 R433 R434 H435 | R427-I431 HydrophobicContact CG-CD1 4Å; R427-I431 VanDerWaalsContact O-CG1 3.28Å; R427-I431 WeakPolarHBondContact O-CG1 3.25Å; R427-I431 PolarHBondContact O-N 3.19Å; L428-I431 PolarHBondContact O-N 3.37Å; T429-I431 VanDerWaalsContact C-N 3.33Å; T429-I431 PolarHBondContact O-N 2.87Å; I431-R433 VanDerWaalsContact C-N 3.34Å; I431-R433 PolarHBondContact O-N 3.31Å; I431-R434 PolarHBondContact O-N 2.88Å; I431-H435 PolarHBondContact O-CD2 3.39Å; I431-H435 VanDerWaalsContact O-CD2 3.3Å; I431-H435 PolarHBondContact O-N 3.43Å |
| 432 | R | 87.3 | Confident | 89 | Confident | 83 Ų | 83 | 69 Ų | 69 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.4 | -49.1 | 176.8 | -169.9 | -175 | -168.4 | 82.4 | -3.2 | 111.2 | D358 H361 L428 T429 H435 T436 | D358-R432 IonicContact OD1-CZ 3Å; D358-R432 IonicContact OD1-NH1 3.48Å; D358-R432 PolarHBondContact OD1-NH1 2.92Å; D358-R432 IonicContact OD1-NH2 2.68Å; D358-R432 PolarHBondContact OD1-NH2 2.83Å; D358-R432 IonicContact OD2-NH1 3.72Å; H361-R432 PolarHBondContact CD2-NH2 2.96Å; L428-R432 PolarHBondContact O-N 2.97Å; T429-R432 PolarHBondContact O-N 3.05Å; R432-H435 PolarHBondContact O-N 3.25Å; R432-T436 PolarHBondContact O-N 3.3Å; R432-T436 PolarHBondContact O-OG1 3.44Å |
| 433 | R | 86.9 | Confident | 89 | Confident | 97 Ų | 97 | 69 Ų | 69 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 179.7 | -174.6 | 169.3 | 61.3 | 114.5 | -6.7 | 112.7 | T429 N430 I431 H435 T436 E437 A489 | T429-R433 WeakPolarHBondContact O-CB 3.44Å; T429-R433 PolarHBondContact O-N 3.21Å; N430-R433 PolarHBondContact OD1-NH2 3.19Å; I431-R433 VanDerWaalsContact C-N 3.34Å; I431-R433 PolarHBondContact O-N 3.31Å; R433-H435 PolarHBondContact O-N 2.59Å; R433-T436 WeakPolarHBondContact CA-OG1 3.32Å; R433-T436 PolarHBondContact O-N 3.23Å; R433-T436 PolarHBondContact O-OG1 3.01Å; R433-E437 VanDerWaalsContact CG-OE1 3.31Å; R433-E437 WeakPolarHBondContact CG-OE1 3.4Å; R433-E437 IonicContact NH1-OE1 3.38Å; R433-E437 WeakPolarHBondContact O-CB 2.99Å; R433-E437 WeakPolarHBondContact O-CG 3.37Å; R433-E437 PolarHBondContact O-N 3.05Å; R433-A489 HydrophobicContact CG-CB 3.86Å; R433-A489 VanDerWaalsContact CZ-CB 3.47Å |
| 434 | R | 89.1 | Confident | 88.8 | Confident | 91 Ų | 91 | 64 Ų | 64 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 174.5 | -78.8 | -169.5 | -66 | 150.8 | -3.7 | 112.9 | N430 I431 K438 A489 L490 E494 | N430-R434 PolarHBondContact O-N 3.04Å; I431-R434 PolarHBondContact O-N 2.88Å; R434-K438 WeakPolarHBondContact O-CB 3.25Å; R434-K438 PolarHBondContact O-N 2.75Å; R434-A489 VanDerWaalsContact CD-O 3.25Å; R434-A489 WeakPolarHBondContact CD-O 3.4Å; R434-A489 HydrophobicContact CG-CB 3.49Å; R434-A489 VanDerWaalsContact CG-CB 3.49Å; R434-A489 WeakPolarHBondContact CG-O 3.16Å; R434-L490 HydrophobicContact CB-CD2 4.16Å; R434-L490 HydrophobicContact CG-CD2 4.21Å; R434-E494 IonicContact CZ-OE1 2.9Å; R434-E494 IonicContact NH1-OE1 3.81Å; R434-E494 PolarHBondContact NH1-OE1 2.83Å |
| 435 | H | 88.3 | Confident | 88.6 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 60% | 0.597 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 174.4 | -86.8 | -81.5 | 0 | 0 | 0 | 112.4 | I431 R432 R433 A439 | I431-H435 PolarHBondContact O-CD2 3.39Å; I431-H435 VanDerWaalsContact O-CD2 3.3Å; I431-H435 PolarHBondContact O-N 3.43Å; R432-H435 PolarHBondContact O-N 3.25Å; R433-H435 PolarHBondContact O-N 2.59Å; H435-A439 WeakPolarHBondContact O-CB 3.32Å; H435-A439 PolarHBondContact O-N 3.37Å |
| 436 | T | 88.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 175.7 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | R432 R433 K438 A439 F440 | R432-T436 PolarHBondContact O-N 3.3Å; R432-T436 PolarHBondContact O-OG1 3.44Å; R433-T436 WeakPolarHBondContact CA-OG1 3.32Å; R433-T436 PolarHBondContact O-N 3.23Å; R433-T436 PolarHBondContact O-OG1 3.01Å; T436-K438 VanDerWaalsContact C-N 3.33Å; T436-K438 PolarHBondContact O-N 2.68Å; T436-A439 PolarHBondContact O-N 3.32Å; T436-F440 WeakPolarHBondContact O-CB 3.44Å; T436-F440 PolarHBondContact O-N 2.83Å |
| 437 | E | 91.8 | Very high | 87.5 | Confident | 27 Ų | 27 | 68 Ų | 68 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 175.7 | -76.2 | 178.2 | -145.7 | 0 | 0 | 111.7 | R433 F440 L441 L487 L488 A489 L490 | R433-E437 VanDerWaalsContact CG-OE1 3.31Å; R433-E437 WeakPolarHBondContact CG-OE1 3.4Å; R433-E437 IonicContact NH1-OE1 3.38Å; R433-E437 WeakPolarHBondContact O-CB 2.99Å; R433-E437 WeakPolarHBondContact O-CG 3.37Å; R433-E437 PolarHBondContact O-N 3.05Å; E437-F440 PolarHBondContact O-N 3.48Å; E437-L441 WeakPolarHBondContact O-CB 3.22Å; E437-L441 PolarHBondContact O-N 3.42Å; E437-L487 HydrophobicContact CB-CD2 4.1Å; E437-L487 HydrophobicContact CG-CD2 4.32Å; E437-L487 WeakPolarHBondContact OE2-CA 3.34Å; E437-L488 PolarHBondContact OE2-N 3.49Å; E437-A489 VanDerWaalsContact CD-CB 3.43Å; E437-A489 WeakPolarHBondContact OE1-CB 3.33Å; E437-A489 PolarHBondContact OE1-N 3.48Å; E437-A489 WeakPolarHBondContact OE2-CA 3.44Å; E437-A489 VanDerWaalsContact OE2-CB 3.3Å; E437-A489 WeakPolarHBondContact OE2-CB 3.34Å; E437-A489 PolarHBondContact OE2-N 2.8Å; E437-L490 HydrophobicContact CB-CD1 4.01Å; E437-L490 HydrophobicContact CB-CD2 4.48Å; E437-L490 HydrophobicContact CB-CG 3.89Å; E437-L490 PolarHBondContact OE2-N 2.89Å |
| 438 | K | 91.5 | Very high | 86.2 | Confident | 84 Ų | 84 | 62 Ų | 62 | 37% | 0.365 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -51.7 | 173.1 | 169 | 167.8 | 179.5 | 178.6 | 0 | 111.4 | R434 T436 F440 L441 E442 L490 I498 | R434-K438 WeakPolarHBondContact O-CB 3.25Å; R434-K438 PolarHBondContact O-N 2.75Å; T436-K438 VanDerWaalsContact C-N 3.33Å; T436-K438 PolarHBondContact O-N 2.68Å; K438-F440 VanDerWaalsContact C-N 3.27Å; K438-F440 PolarHBondContact O-N 2.74Å; K438-L441 PolarHBondContact O-N 3.25Å; K438-E442 WeakPolarHBondContact CE-OE1 3.43Å; K438-E442 WeakPolarHBondContact CE-OE2 3.43Å; K438-E442 HydrophobicContact CG-CG 4.46Å; K438-E442 IonicContact NZ-OE1 3.15Å; K438-E442 PolarHBondContact NZ-OE1 3.43Å; K438-E442 WeakPolarHBondContact O-CB 3.47Å; K438-E442 WeakPolarHBondContact O-CG 3.42Å; K438-E442 PolarHBondContact O-N 2.91Å; K438-L490 HydrophobicContact CB-CD2 4.19Å; K438-I498 HydrophobicContact CB-CD1 4.02Å; K438-I498 HydrophobicContact CD-CD1 4.06Å; K438-I498 HydrophobicContact CD-CG1 4.27Å; K438-I498 HydrophobicContact CG-CD1 3.67Å; K438-I498 HydrophobicContact CG-CG1 4.18Å |
| 439 | A | 89.9 | Confident | 84.5 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H435 T436 T443 | H435-A439 WeakPolarHBondContact O-CB 3.32Å; H435-A439 PolarHBondContact O-N 3.37Å; T436-A439 PolarHBondContact O-N 3.32Å; A439-T443 WeakPolarHBondContact O-CB 3.38Å; A439-T443 PolarHBondContact O-N 3.01Å; A439-T443 PolarHBondContact O-OG1 2.99Å |
| 440 | F | 89 | Confident | 82.3 | Confident | 106 Ų | 106 | 66.8 Ų | 66.8 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 173.2 | 178.2 | -119.8 | 0 | 0 | 0 | 111.9 | T436 E437 K438 E442 T443 S444 L485 L487 | T436-F440 WeakPolarHBondContact O-CB 3.44Å; T436-F440 PolarHBondContact O-N 2.83Å; E437-F440 PolarHBondContact O-N 3.48Å; K438-F440 VanDerWaalsContact C-N 3.27Å; K438-F440 PolarHBondContact O-N 2.74Å; F440-E442 PolarHBondContact O-N 3.32Å; F440-T443 PolarHBondContact O-N 3.4Å; F440-S444 WeakPolarHBondContact O-CB 3.32Å; F440-S444 PolarHBondContact O-N 3.04Å; F440-S444 PolarHBondContact O-OG 3.14Å; F440-S444 VanDerWaalsContact O-OG 3.14Å; F440-L485 HydrophobicContact CE1-CB 4.23Å; F440-L485 HydrophobicContact CE1-CD2 3.86Å; F440-L485 HydrophobicContact CZ-CD2 3.99Å; F440-L487 HydrophobicContact CD1-CD2 4.01Å |
| 441 | L | 90.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 174.8 | 175.1 | 60.7 | 0 | 0 | 0 | 111.8 | E437 K438 T443 S444 L445 I482 L485 L487 L490 I495 I498 | E437-L441 WeakPolarHBondContact O-CB 3.22Å; E437-L441 PolarHBondContact O-N 3.42Å; K438-L441 PolarHBondContact O-N 3.25Å; L441-T443 VanDerWaalsContact C-N 3.31Å; L441-T443 PolarHBondContact O-N 3.46Å; L441-S444 PolarHBondContact O-N 2.65Å; L441-L445 HydrophobicContact CD1-CD1 3.95Å; L441-L445 HydrophobicContact CD1-CD2 4.42Å; L441-L445 HydrophobicContact CD1-CG 3.93Å; L441-L445 HydrophobicContact CG-CD1 4Å; L441-L445 HydrophobicContact CG-CG 4.41Å; L441-L445 WeakPolarHBondContact O-CB 3.33Å; L441-L445 VanDerWaalsContact O-CG 3.23Å; L441-L445 WeakPolarHBondContact O-CG 3.49Å; L441-L445 PolarHBondContact O-N 3.49Å; L441-I482 HydrophobicContact CD1-CG1 4.4Å; L441-I482 HydrophobicContact CD1-CG2 4.19Å; L441-L485 HydrophobicContact CD1-CD1 3.75Å; L441-L487 HydrophobicContact CB-CD1 3.99Å; L441-L487 HydrophobicContact CD1-CD1 3.99Å; L441-L487 HydrophobicContact CD2-CD1 3.95Å; L441-L487 HydrophobicContact CG-CD1 4.18Å; L441-L490 HydrophobicContact CD2-CD1 4.29Å; L441-I495 HydrophobicContact CD2-CB 4.32Å; L441-I495 HydrophobicContact CD2-CG1 4.17Å; L441-I495 HydrophobicContact CD2-CG2 4.05Å; L441-I498 HydrophobicContact CD2-CB 4.03Å; L441-I498 HydrophobicContact CD2-CD1 3.95Å; L441-I498 HydrophobicContact CD2-CG2 3.73Å; L441-I498 HydrophobicContact CG-CG2 3.84Å |
| 442 | E | 88.9 | Confident | 77.8 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 174.9 | -74.8 | 175.6 | 158.6 | 0 | 0 | 110.8 | K438 F440 H446 I498 | K438-E442 WeakPolarHBondContact CE-OE1 3.43Å; K438-E442 WeakPolarHBondContact CE-OE2 3.43Å; K438-E442 HydrophobicContact CG-CG 4.46Å; K438-E442 IonicContact NZ-OE1 3.15Å; K438-E442 PolarHBondContact NZ-OE1 3.43Å; K438-E442 WeakPolarHBondContact O-CB 3.47Å; K438-E442 WeakPolarHBondContact O-CG 3.42Å; K438-E442 PolarHBondContact O-N 2.91Å; F440-E442 PolarHBondContact O-N 3.32Å; E442-H446 WeakPolarHBondContact O-CB 3.31Å; E442-H446 PolarHBondContact O-CD2 3.49Å; E442-H446 VanDerWaalsContact O-CD2 3.23Å; E442-H446 PolarHBondContact O-N 3.25Å; E442-I498 HydrophobicContact CG-CG2 3.57Å |
| 443 | T | 85.8 | Confident | 75.3 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 41% | 0.405 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | A439 F440 L441 L445 H446 H447 | A439-T443 WeakPolarHBondContact O-CB 3.38Å; A439-T443 PolarHBondContact O-N 3.01Å; A439-T443 PolarHBondContact O-OG1 2.99Å; F440-T443 PolarHBondContact O-N 3.4Å; L441-T443 VanDerWaalsContact C-N 3.31Å; L441-T443 PolarHBondContact O-N 3.46Å; T443-L445 PolarHBondContact O-N 2.81Å; T443-H446 CarbonylContact O-C 3.58Å; T443-H446 PolarHBondContact O-N 2.88Å; T443-H447 WeakPolarHBondContact O-CB 3.42Å; T443-H447 PolarHBondContact O-N 3.38Å |
| 444 | S | 84.2 | Confident | 72.8 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.2 | -34.5 | -179.3 | -65.3 | 0 | 0 | 0 | 0 | 113 | F440 L441 H447 G448 F449 | F440-S444 WeakPolarHBondContact O-CB 3.32Å; F440-S444 PolarHBondContact O-N 3.04Å; F440-S444 PolarHBondContact O-OG 3.14Å; F440-S444 VanDerWaalsContact O-OG 3.14Å; L441-S444 PolarHBondContact O-N 2.65Å; S444-H447 PolarHBondContact O-N 3.32Å; S444-G448 PolarHBondContact O-N 2.94Å; S444-F449 PolarHBondContact O-N 3.14Å |
| 445 | L | 86.1 | Confident | 69.9 | Low | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 169.4 | -68.6 | 170.8 | 0 | 0 | 0 | 110.9 | L441 T443 H447 G448 F449 I469 I482 I498 Y499 F502 | L441-L445 HydrophobicContact CD1-CD1 3.95Å; L441-L445 HydrophobicContact CD1-CD2 4.42Å; L441-L445 HydrophobicContact CD1-CG 3.93Å; L441-L445 HydrophobicContact CG-CD1 4Å; L441-L445 HydrophobicContact CG-CG 4.41Å; L441-L445 WeakPolarHBondContact O-CB 3.33Å; L441-L445 VanDerWaalsContact O-CG 3.23Å; L441-L445 WeakPolarHBondContact O-CG 3.49Å; L441-L445 PolarHBondContact O-N 3.49Å; T443-L445 PolarHBondContact O-N 2.81Å; L445-H447 VanDerWaalsContact C-N 3.29Å; L445-H447 PolarHBondContact O-N 2.85Å; L445-G448 PolarHBondContact O-N 3.34Å; L445-F449 HydrophobicContact CD2-CE2 3.81Å; L445-F449 HydrophobicContact CD2-CZ 4.31Å; L445-I469 HydrophobicContact CD2-CD1 3.49Å; L445-I469 VanDerWaalsContact CD2-CD1 3.49Å; L445-I482 HydrophobicContact CD2-CD1 4.38Å; L445-I482 HydrophobicContact CD2-CG1 4.49Å; L445-I498 HydrophobicContact CD1-CG2 3.95Å; L445-Y499 HydrophobicContact CD1-CD2 4.41Å; L445-Y499 HydrophobicContact CD2-CD2 3.82Å; L445-Y499 HydrophobicContact CD2-CE2 4.21Å; L445-F502 HydrophobicContact CB-CD1 4.03Å; L445-F502 HydrophobicContact CB-CD2 3.81Å; L445-F502 HydrophobicContact CB-CE1 4.21Å; L445-F502 HydrophobicContact CB-CE2 4Å; L445-F502 HydrophobicContact CB-CG 3.83Å; L445-F502 HydrophobicContact CB-CZ 4.19Å; L445-F502 HydrophobicContact CD1-CB 4.01Å; L445-F502 HydrophobicContact CD1-CD1 4.42Å; L445-F502 HydrophobicContact CD1-CG 4.16Å; L445-F502 HydrophobicContact CD2-CD1 4.4Å; L445-F502 HydrophobicContact CG-CG 4.5Å; L445-F502 WeakPolarHBondContact O-CE2 3.49Å; L445-F502 WeakPolarHBondContact O-CZ 3.25Å |
| 446 | H | 81.5 | Confident | 67.1 | Low | 74 Ų | 74 | 70.7 Ų | 70.7 | 34% | 0.343 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.5 | -27.3 | 176.4 | -88.7 | -85.7 | 0 | 0 | 0 | 114.1 | E442 T443 G448 F502 L1112 | E442-H446 WeakPolarHBondContact O-CB 3.31Å; E442-H446 PolarHBondContact O-CD2 3.49Å; E442-H446 VanDerWaalsContact O-CD2 3.23Å; E442-H446 PolarHBondContact O-N 3.25Å; T443-H446 CarbonylContact O-C 3.58Å; T443-H446 PolarHBondContact O-N 2.88Å; H446-G448 VanDerWaalsContact C-N 3.27Å; H446-F502 AromaticContact CD2-CD2 3.76Å; H446-F502 AromaticContact CG-CE2 4Å; H446-F502 AromaticContact NE2-CD2 3.81Å; H446-L1112 HydrophobicContact CB-CD2 4.32Å |
| 447 | H | 74.2 | Confident | 64.2 | Low | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.537 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 3.5 | 172.8 | -157.4 | -112.4 | 0 | 0 | 0 | 113.4 | T443 S444 L445 F449 R450 | T443-H447 WeakPolarHBondContact O-CB 3.42Å; T443-H447 PolarHBondContact O-N 3.38Å; S444-H447 PolarHBondContact O-N 3.32Å; L445-H447 VanDerWaalsContact C-N 3.29Å; L445-H447 PolarHBondContact O-N 2.85Å; H447-F449 VanDerWaalsContact C-N 3.31Å; H447-F449 PolarHBondContact O-N 3.47Å; H447-R450 PolarHBondContact ND1-O 2.97Å; H447-R450 VanDerWaalsContact ND1-O 3.15Å; H447-R450 PolarHBondContact O-N 3.27Å |
| 448 | G | 61.5 | Low | 61.3 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 17% | 0.165 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 32.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S444 L445 H446 R450 | S444-G448 PolarHBondContact O-N 2.94Å; L445-G448 PolarHBondContact O-N 3.34Å; H446-G448 VanDerWaalsContact C-N 3.27Å; G448-R450 PolarHBondContact O-N 3.4Å; G448-R450 VanDerWaalsContact O-N 3.12Å |
| 449 | F | 54.3 | Low | 58.4 | Low | 22 Ų | 22 | 84.1 Ų | 84.1 | 10% | 0.096 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 22.4 | -178.2 | -79 | -68.4 | 0 | 0 | 0 | 116.7 | S444 L445 H447 N451 I469 V478 N481 I482 L485 | S444-F449 PolarHBondContact O-N 3.14Å; L445-F449 HydrophobicContact CD2-CE2 3.81Å; L445-F449 HydrophobicContact CD2-CZ 4.31Å; H447-F449 VanDerWaalsContact C-N 3.31Å; H447-F449 PolarHBondContact O-N 3.47Å; F449-N451 PolarHBondContact O-N 3.2Å; F449-I469 HydrophobicContact CD2-CD1 3.84Å; F449-I469 HydrophobicContact CD2-CG1 4.21Å; F449-I469 HydrophobicContact CE2-CD1 3.92Å; F449-V478 HydrophobicContact CD2-CG1 3.94Å; F449-V478 HydrophobicContact CE2-CG1 3.58Å; F449-N481 HydrophobicContact CD1-CB 4.04Å; F449-N481 HydrophobicContact CD2-CB 4.07Å; F449-N481 HydrophobicContact CE1-CB 4.04Å; F449-N481 HydrophobicContact CE2-CB 4.08Å; F449-N481 HydrophobicContact CG-CB 4.07Å; F449-N481 HydrophobicContact CZ-CB 4.08Å; F449-I482 HydrophobicContact CE2-CG1 3.94Å; F449-I482 HydrophobicContact CZ-CB 4.44Å; F449-I482 HydrophobicContact CZ-CG1 3.6Å; F449-L485 HydrophobicContact CE1-CD1 3.8Å; F449-L485 HydrophobicContact CE1-CD2 4.16Å; F449-L485 HydrophobicContact CE1-CG 4.04Å; F449-L485 HydrophobicContact CZ-CD1 4Å |
| 450 | R | 42.9 | Very low | 55.6 | Low | 152 Ų | 152 | 88.9 Ų | 88.9 | 57% | 0.574 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 120 | 158.6 | -90.2 | -175.3 | 164.2 | -177.5 | -4.3 | 109.7 | H447 G448 I466 | H447-R450 PolarHBondContact ND1-O 2.97Å; H447-R450 VanDerWaalsContact ND1-O 3.15Å; H447-R450 PolarHBondContact O-N 3.27Å; G448-R450 PolarHBondContact O-N 3.4Å; G448-R450 VanDerWaalsContact O-N 3.12Å; R450-I466 HydrophobicContact CG-CG2 4.11Å |
| 451 | N | 41.6 | Very low | 53 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 60 | 168.1 | -50.2 | 5.4 | 0 | 0 | 0 | 117.3 | F449 T454 | F449-N451 PolarHBondContact O-N 3.2Å; N451-T454 HydrophobicContact CB-CG2 4.11Å |
| 452 | C | 40.5 | Very low | 50.2 | Low | 58 Ų | 58 | 98 Ų | 98 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -102.7 | 4.2 | 157.8 | -69.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 453 | L | 34.6 | Very low | 47.5 | Very low | 135 Ų | 135 | 101.7 Ų | 101.7 | 71% | 0.707 | 55% | 0.554 | S | S | * | * | trans | -134.2 | 29.5 | -178.4 | -122 | 99 | 0 | 0 | 0 | 114.6 | G455 | L453-G455 PolarHBondContact O-N 2.85Š| ||
| 454 | T | 33.2 | Very low | 45.3 | Very low | 120 Ų | 120 | 107 Ų | 107 | 74% | 0.736 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 67.4 | 167.3 | 53.5 | 0 | 0 | 0 | 0 | 110 | N451 | N451-T454 HydrophobicContact CB-CG2 4.11Š|
| 455 | G | 29.7 | Very low | 43.5 | Very low | 63 Ų | 63 | 114 Ų | 114 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147 | -14.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | L453 | L453-G455 PolarHBondContact O-N 2.85Š|
| 456 | T | 27.9 | Very low | 41.7 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 70% | 0.699 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -157.8 | 127.9 | 167.6 | 37.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 457 | L | 28.6 | Very low | 40.5 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | trans | 57.5 | 108.9 | 140.8 | -58 | 171.9 | 0 | 0 | 0 | 121.1 | ||||
| 458 | N | 31 | Very low | 40.4 | Very low | 152 Ų | 152 | 116.9 Ų | 116.9 | 81% | 0.813 | 63% | 0.632 | S | S | * | * | 70 | 168.2 | 123.7 | -58.7 | 6.1 | 0 | 0 | 0 | 120.9 | |||||
| 459 | E | 31.7 | Very low | 41.5 | Very low | 183 Ų | 183 | 116.5 Ų | 116.5 | 86% | 0.855 | 63% | 0.626 | S | S | * | * | trans | -75.8 | 164.1 | -162.6 | -61.9 | 168.1 | 129 | 0 | 0 | 114.7 | ||||
| 460 | D | 31.1 | Very low | 43 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 78% | 0.781 | 63% | 0.632 | S | S | * | * | trans | 56.7 | 87.8 | 166.5 | -66.2 | -13.4 | 0 | 0 | 0 | 118.5 | ||||
| 461 | H | 33.7 | Very low | 45.2 | Very low | 195 Ų | 195 | 110.4 Ų | 110.4 | 90% | 0.903 | 61% | 0.605 | S | S | * | * | -165.2 | 166.6 | 111.9 | -88.9 | -40.8 | 0 | 0 | 0 | 111.9 | |||||
| 462 | S | 32.3 | Very low | 47.3 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | trans | -84.7 | 163.2 | -173.4 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 463 | D | 31.6 | Very low | 49.6 | Very low | 145 Ų | 145 | 105.3 Ų | 105.3 | 78% | 0.775 | 58% | 0.583 | S | S | * | * | trans | 79.4 | 41.9 | 168 | -56.5 | -22.5 | 0 | 0 | 0 | 119.1 | H465 | D463-H465 PolarHBondContact O-N 2.77Š| ||
| 464 | E | 39 | Very low | 52.2 | Low | 177 Ų | 177 | 101.5 Ų | 101.5 | 83% | 0.827 | 57% | 0.566 | S | S | * | * | trans | -70.4 | 95.3 | 151 | -88 | -144 | 129.4 | 0 | 0 | 110.8 | I466 | E464-I466 PolarHBondContact O-N 3.49Å; E464-I466 VanDerWaalsContact O-N 3.11Å | ||
| 465 | H | 45.9 | Very low | 54.9 | Low | 165 Ų | 165 | 98.1 Ų | 98.1 | 76% | 0.764 | 54% | 0.543 | S | S | * | . | trans | -68.7 | 104.9 | 175.8 | -127.4 | -74.3 | 0 | 0 | 0 | 110.6 | D463 T467 | D463-H465 PolarHBondContact O-N 2.77Å; H465-T467 PolarHBondContact O-N 3.1Å | ||
| 466 | I | 49 | Very low | 57.6 | Low | 83 Ų | 83 | 98.9 Ų | 98.9 | 43% | 0.426 | 54% | 0.539 | S | S | . | . | trans | -56.8 | 110.8 | 170.3 | -59.1 | 163.6 | 0 | 0 | 0 | 107.8 | R450 E464 V468 | R450-I466 HydrophobicContact CG-CG2 4.11Å; E464-I466 PolarHBondContact O-N 3.49Å; E464-I466 VanDerWaalsContact O-N 3.11Å; I466-V468 HydrophobicContact CG2-CG2 3.86Å; I466-V468 PolarHBondContact O-N 2.98Å | ||
| 467 | T | 56.7 | Low | 60.3 | Low | 80 Ų | 80 | 97.1 Ų | 97.1 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | trans | -82 | 66.2 | -176.7 | 32.9 | 0 | 0 | 0 | 0 | 110.9 | H465 I469 N481 | H465-T467 PolarHBondContact O-N 3.1Å; T467-I469 PolarHBondContact O-N 3.38Å; T467-I469 VanDerWaalsContact O-N 3.16Å; T467-N481 PolarHBondContact OG1-ND2 3.18Å; T467-N481 VanDerWaalsContact OG1-ND2 3.15Å | ||
| 468 | V | 71.9 | Confident | 62.9 | Low | 90 Ų | 90 | 90.5 Ų | 90.5 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 118.2 | 171.7 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | I466 L470 | I466-V468 HydrophobicContact CG2-CG2 3.86Å; I466-V468 PolarHBondContact O-N 2.98Å; V468-L470 PolarHBondContact O-N 3.23Å |
| 469 | I | 85.2 | Confident | 65.4 | Low | 7 Ų | 7 | 89.7 Ų | 89.7 | 4% | 0.036 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 127.6 | 177.2 | -51.5 | 170.8 | 0 | 0 | 0 | 108.4 | L445 F449 T467 V478 Y499 F502 Q503 L506 | L445-I469 HydrophobicContact CD2-CD1 3.49Å; L445-I469 VanDerWaalsContact CD2-CD1 3.49Å; F449-I469 HydrophobicContact CD2-CD1 3.84Å; F449-I469 HydrophobicContact CD2-CG1 4.21Å; F449-I469 HydrophobicContact CE2-CD1 3.92Å; T467-I469 PolarHBondContact O-N 3.38Å; T467-I469 VanDerWaalsContact O-N 3.16Å; I469-V478 HydrophobicContact CD1-CG1 4.16Å; I469-V478 HydrophobicContact CG1-CG1 4.14Å; I469-V478 HydrophobicContact CG1-CG2 4.49Å; I469-V478 HydrophobicContact CG2-CG2 4.33Å; I469-Y499 HydrophobicContact CD1-CE2 4.49Å; I469-Y499 HydrophobicContact CG2-CE2 4.25Å; I469-F502 HydrophobicContact CB-CE1 4.11Å; I469-F502 HydrophobicContact CD1-CE1 3.78Å; I469-F502 HydrophobicContact CD1-CZ 4.34Å; I469-F502 HydrophobicContact CG2-CE1 3.97Å; I469-Q503 VanDerWaalsContact CG2-NE2 3.29Å; I469-L506 HydrophobicContact CG2-CD2 4.37Å; I469-L506 WeakPolarHBondContact O-CD2 3.11Å |
| 470 | L | 85.7 | Confident | 67.6 | Low | 45 Ų | 45 | 84.8 Ų | 84.8 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 150.3 | -179.9 | -66.6 | -174.3 | 0 | 0 | 0 | 112.3 | V468 G472 Q473 Q503 A625 Y626 | V468-L470 PolarHBondContact O-N 3.23Å; L470-G472 PolarHBondContact O-N 3.46Å; L470-Q473 WeakPolarHBondContact O-CB 3.46Å; L470-Q473 PolarHBondContact O-N 3.49Å; L470-Q473 VanDerWaalsContact O-N 3.09Å; L470-Q503 PolarHBondContact O-NE2 3.01Å; L470-Q503 PolarHBondContact O-OE1 3.23Å; L470-A625 HydrophobicContact CD1-CB 4.31Å; L470-Y626 HydrophobicContact CB-CD2 3.77Å; L470-Y626 HydrophobicContact CB-CE2 4.17Å; L470-Y626 HydrophobicContact CD1-CD2 4.01Å; L470-Y626 HydrophobicContact CD1-CE2 4.14Å |
| 471 | P | 87.7 | Confident | 69.9 | Low | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.006 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 127.4 | 178.6 | 28.3 | -38.1 | 0 | 0 | 0 | 111.4 | Q473 L506 H507 V510 A623 Y626 L627 | P471-Q473 VanDerWaalsContact C-N 3.34Å; P471-L506 HydrophobicContact CB-CD2 4.42Å; P471-L506 HydrophobicContact CB-CG 4.14Å; P471-H507 HydrophobicContact CB-CB 4.28Å; P471-V510 HydrophobicContact CB-CB 4.43Å; P471-V510 HydrophobicContact CG-CB 3.86Å; P471-V510 HydrophobicContact CG-CG1 3.89Å; P471-V510 HydrophobicContact CG-CG2 3.91Å; P471-A623 VanDerWaalsContact CD-O 3.26Å; P471-A623 WeakPolarHBondContact CD-O 3.37Å; P471-A623 WeakPolarHBondContact CG-O 2.94Å; P471-Y626 WeakPolarHBondContact O-CB 3.17Å; P471-L627 HydrophobicContact CB-CD1 3.93Å; P471-L627 HydrophobicContact CG-CD1 4.2Å |
| 472 | G | 85.9 | Confident | 72.2 | Confident | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -1.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L470 | L470-G472 PolarHBondContact O-N 3.46Š|
| 473 | Q | 89.7 | Confident | 74.5 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | trans | -66.7 | 126.2 | 173.6 | -175.3 | 174 | 10.2 | 0 | 0 | 110.7 | L470 P471 D477 V478 Y499 Q503 Y626 | L470-Q473 WeakPolarHBondContact O-CB 3.46Å; L470-Q473 PolarHBondContact O-N 3.49Å; L470-Q473 VanDerWaalsContact O-N 3.09Å; P471-Q473 VanDerWaalsContact C-N 3.34Å; Q473-D477 HydrophobicContact CG-CB 4.03Å; Q473-V478 HydrophobicContact CG-CG2 4.17Å; Q473-Y499 WeakPolarHBondContact O-CE1 3.21Å; Q473-Y499 PolarHBondContact O-OH 3.34Å; Q473-Q503 PolarHBondContact O-NE2 3.4Å; Q473-Y626 HydrophobicContact CB-CD1 4.31Å; Q473-Y626 HydrophobicContact CB-CD2 4.2Å; Q473-Y626 HydrophobicContact CB-CE1 4.17Å; Q473-Y626 HydrophobicContact CB-CE2 4.07Å; Q473-Y626 HydrophobicContact CB-CG 4.31Å; Q473-Y626 HydrophobicContact CG-CE1 4.04Å; Q473-Y626 HydrophobicContact CG-CE2 4.05Å | ||
| 474 | P | 89.5 | Confident | 76.7 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | trans | -74.8 | 152.2 | -177 | 30.5 | -34.6 | 0 | 0 | 0 | 112.3 | S476 D477 | P474-S476 WeakPolarHBondContact CG-OG 3.4Å; P474-S476 PolarHBondContact O-N 3.3Å; P474-D477 WeakPolarHBondContact CD-OD2 3.48Å; P474-D477 WeakPolarHBondContact CG-OD1 3.35Å; P474-D477 PolarHBondContact O-N 2.74Å | ||
| 475 | L | 88.6 | Confident | 78.7 | Confident | 48 Ų | 48 | 59 Ų | 59 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.7 | -179.9 | 178.1 | 59.5 | 0 | 0 | 0 | 113.6 | D477 K479 I482 Y499 | L475-D477 PolarHBondContact O-N 2.87Å; L475-K479 WeakPolarHBondContact O-CB 3.44Å; L475-K479 PolarHBondContact O-N 3.1Å; L475-K479 VanDerWaalsContact O-N 3.14Å; L475-I482 HydrophobicContact CD1-CD1 3.4Å; L475-I482 VanDerWaalsContact CD1-CD1 3.4Å; L475-Y499 HydrophobicContact CB-CD1 3.76Å; L475-Y499 HydrophobicContact CB-CE1 3.9Å; L475-Y499 HydrophobicContact CB-CG 4.4Å; L475-Y499 HydrophobicContact CD1-CD1 3.97Å; L475-Y499 HydrophobicContact CD1-CD2 3.99Å; L475-Y499 HydrophobicContact CD1-CE1 4.46Å; L475-Y499 HydrophobicContact CD1-CE2 4.49Å; L475-Y499 HydrophobicContact CD1-CG 3.71Å; L475-Y499 HydrophobicContact CG-CD1 4.35Å |
| 476 | S | 87.2 | Confident | 80.4 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 56% | 0.559 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -41.6 | 173 | 42.4 | 0 | 0 | 0 | 0 | 112.7 | P474 K479 | P474-S476 WeakPolarHBondContact CG-OG 3.4Å; P474-S476 PolarHBondContact O-N 3.3Å; S476-K479 WeakPolarHBondContact O-CB 3.45Å; S476-K479 PolarHBondContact O-N 3.29Å |
| 477 | D | 84.5 | Confident | 82.1 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -20.7 | -166.1 | -56.2 | 10.1 | 0 | 0 | 0 | 111.3 | Q473 P474 L475 Y626 | Q473-D477 HydrophobicContact CG-CB 4.03Å; P474-D477 WeakPolarHBondContact CD-OD2 3.48Å; P474-D477 WeakPolarHBondContact CG-OD1 3.35Å; P474-D477 PolarHBondContact O-N 2.74Å; L475-D477 PolarHBondContact O-N 2.87Å; D477-Y626 PolarHBondContact OD2-OH 2.95Å |
| 478 | V | 83.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 1.7 | 178.5 | -160.8 | 0 | 0 | 0 | 0 | 111.1 | F449 I469 Q473 S480 N481 I482 Y499 | F449-V478 HydrophobicContact CD2-CG1 3.94Å; F449-V478 HydrophobicContact CE2-CG1 3.58Å; I469-V478 HydrophobicContact CD1-CG1 4.16Å; I469-V478 HydrophobicContact CG1-CG1 4.14Å; I469-V478 HydrophobicContact CG1-CG2 4.49Å; I469-V478 HydrophobicContact CG2-CG2 4.33Å; Q473-V478 HydrophobicContact CG-CG2 4.17Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.85Å; V478-N481 HydrophobicContact CG1-CB 4.25Å; V478-N481 PolarHBondContact O-N 3.19Å; V478-I482 HydrophobicContact CB-CD1 4.19Å; V478-I482 HydrophobicContact CG1-CD1 4.1Å; V478-I482 HydrophobicContact CG1-CG1 4.26Å; V478-I482 PolarHBondContact O-N 2.97Å; V478-Y499 HydrophobicContact CB-CE2 4.16Å; V478-Y499 HydrophobicContact CG1-CE2 4.46Å; V478-Y499 HydrophobicContact CG2-CE2 4.07Å; V478-Y499 WeakPolarHBondContact CG2-OH 3.19Å |
| 479 | K | 82.1 | Confident | 84 | Confident | 134 Ų | 134 | 52.1 Ų | 52.1 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.5 | -37.4 | -172.2 | -168.4 | -175.5 | 171.7 | -162.6 | 0 | 112.9 | L475 S476 S483 | L475-K479 WeakPolarHBondContact O-CB 3.44Å; L475-K479 PolarHBondContact O-N 3.1Å; L475-K479 VanDerWaalsContact O-N 3.14Å; S476-K479 WeakPolarHBondContact O-CB 3.45Å; S476-K479 PolarHBondContact O-N 3.29Å; K479-S483 VanDerWaalsContact O-CB 3.3Å; K479-S483 WeakPolarHBondContact O-CB 3.49Å; K479-S483 PolarHBondContact O-N 3.22Å; K479-S483 PolarHBondContact O-OG 2.93Å |
| 480 | S | 78.7 | Confident | 84.2 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 57% | 0.566 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56 | -52.5 | 173.8 | 42.8 | 0 | 0 | 0 | 0 | 111 | V478 I482 S483 S484 | V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.85Å; S480-I482 PolarHBondContact O-N 2.89Å; S480-S483 PolarHBondContact O-N 2.95Å; S480-S483 VanDerWaalsContact O-N 3.1Å; S480-S484 PolarHBondContact O-N 2.77Å; S480-S484 VanDerWaalsContact O-N 3.11Å |
| 481 | N | 78.6 | Confident | 84.3 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | -174.7 | -56.1 | 19.7 | 0 | 0 | 0 | 110.3 | F449 T467 V478 S483 S484 | F449-N481 HydrophobicContact CD1-CB 4.04Å; F449-N481 HydrophobicContact CD2-CB 4.07Å; F449-N481 HydrophobicContact CE1-CB 4.04Å; F449-N481 HydrophobicContact CE2-CB 4.08Å; F449-N481 HydrophobicContact CG-CB 4.07Å; F449-N481 HydrophobicContact CZ-CB 4.08Å; T467-N481 PolarHBondContact OG1-ND2 3.18Å; T467-N481 VanDerWaalsContact OG1-ND2 3.15Å; V478-N481 HydrophobicContact CG1-CB 4.25Å; V478-N481 PolarHBondContact O-N 3.19Å; N481-S483 VanDerWaalsContact C-N 3.33Å; N481-S483 PolarHBondContact O-N 3.21Å; N481-S484 PolarHBondContact O-N 3.02Å; N481-S484 PolarHBondContact O-OG 3.47Å |
| 482 | I | 82.9 | Confident | 84.2 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.046 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 174.4 | -65.8 | 161.8 | 0 | 0 | 0 | 111.7 | L441 L445 F449 L475 V478 S480 S484 L485 L487 I495 Y499 | L441-I482 HydrophobicContact CD1-CG1 4.4Å; L441-I482 HydrophobicContact CD1-CG2 4.19Å; L445-I482 HydrophobicContact CD2-CD1 4.38Å; L445-I482 HydrophobicContact CD2-CG1 4.49Å; F449-I482 HydrophobicContact CE2-CG1 3.94Å; F449-I482 HydrophobicContact CZ-CB 4.44Å; F449-I482 HydrophobicContact CZ-CG1 3.6Å; L475-I482 HydrophobicContact CD1-CD1 3.4Å; L475-I482 VanDerWaalsContact CD1-CD1 3.4Å; V478-I482 HydrophobicContact CB-CD1 4.19Å; V478-I482 HydrophobicContact CG1-CD1 4.1Å; V478-I482 HydrophobicContact CG1-CG1 4.26Å; V478-I482 PolarHBondContact O-N 2.97Å; S480-I482 PolarHBondContact O-N 2.89Å; I482-S484 PolarHBondContact O-N 3.31Å; I482-L485 WeakPolarHBondContact O-CB 3.33Å; I482-L485 PolarHBondContact O-N 2.89Å; I482-L487 HydrophobicContact CG2-CD1 4.44Å; I482-I495 HydrophobicContact CG2-CG2 3.74Å; I482-Y499 HydrophobicContact CD1-CD2 3.82Å; I482-Y499 HydrophobicContact CD1-CE2 4.25Å |
| 483 | S | 80 | Confident | 84.4 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 58% | 0.58 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.4 | -20.1 | 177.5 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | K479 S480 N481 L485 | K479-S483 VanDerWaalsContact O-CB 3.3Å; K479-S483 WeakPolarHBondContact O-CB 3.49Å; K479-S483 PolarHBondContact O-N 3.22Å; K479-S483 PolarHBondContact O-OG 2.93Å; S480-S483 PolarHBondContact O-N 2.95Å; S480-S483 VanDerWaalsContact O-N 3.1Å; N481-S483 VanDerWaalsContact C-N 3.33Å; N481-S483 PolarHBondContact O-N 3.21Å; S483-L485 VanDerWaalsContact C-N 3.26Å; S483-L485 PolarHBondContact O-N 3.43Å |
| 484 | S | 79.2 | Confident | 84.4 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.1 | 174.5 | 75.2 | 0 | 0 | 0 | 0 | 114.5 | S480 N481 I482 D486 | S480-S484 PolarHBondContact O-N 2.77Å; S480-S484 VanDerWaalsContact O-N 3.11Å; N481-S484 PolarHBondContact O-N 3.02Å; N481-S484 PolarHBondContact O-OG 3.47Å; I482-S484 PolarHBondContact O-N 3.31Å; S484-D486 VanDerWaalsContact C-N 3.35Å |
| 485 | L | 80 | Confident | 84.5 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.5 | -177.6 | -64.3 | 176.9 | 0 | 0 | 0 | 114.7 | F440 L441 F449 I482 S483 L487 | F440-L485 HydrophobicContact CE1-CB 4.23Å; F440-L485 HydrophobicContact CE1-CD2 3.86Å; F440-L485 HydrophobicContact CZ-CD2 3.99Å; L441-L485 HydrophobicContact CD1-CD1 3.75Å; F449-L485 HydrophobicContact CE1-CD1 3.8Å; F449-L485 HydrophobicContact CE1-CD2 4.16Å; F449-L485 HydrophobicContact CE1-CG 4.04Å; F449-L485 HydrophobicContact CZ-CD1 4Å; I482-L485 WeakPolarHBondContact O-CB 3.33Å; I482-L485 PolarHBondContact O-N 2.89Å; S483-L485 VanDerWaalsContact C-N 3.26Å; S483-L485 PolarHBondContact O-N 3.43Å; L485-L487 VanDerWaalsContact C-N 3.35Å; L485-L487 HydrophobicContact CB-CD1 4Å; L485-L487 HydrophobicContact CB-CD2 4.11Å; L485-L487 HydrophobicContact CB-CG 3.77Å; L485-L487 HydrophobicContact CD1-CD1 4.17Å; L485-L487 PolarHBondContact O-N 3.37Å |
| 486 | D | 80.7 | Confident | 84.6 | Confident | 113 Ų | 113 | 65.7 Ų | 65.7 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | trans | 44.6 | 49.1 | -179.8 | -157.9 | 31.1 | 0 | 0 | 0 | 115.4 | S484 L488 | S484-D486 VanDerWaalsContact C-N 3.35Å; D486-L488 VanDerWaalsContact C-N 3.28Å; D486-L488 PolarHBondContact O-N 3.38Å; D486-L488 WeakPolarHBondContact OD1-CD2 3.32Å; D486-L488 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 487 | L | 85.4 | Confident | 84.8 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | trans | -79.9 | 69.4 | -174.9 | -58.3 | 171.1 | 0 | 0 | 0 | 111.8 | E437 F440 L441 I482 L485 A489 L490 I495 | E437-L487 HydrophobicContact CB-CD2 4.1Å; E437-L487 HydrophobicContact CG-CD2 4.32Å; E437-L487 WeakPolarHBondContact OE2-CA 3.34Å; F440-L487 HydrophobicContact CD1-CD2 4.01Å; L441-L487 HydrophobicContact CB-CD1 3.99Å; L441-L487 HydrophobicContact CD1-CD1 3.99Å; L441-L487 HydrophobicContact CD2-CD1 3.95Å; L441-L487 HydrophobicContact CG-CD1 4.18Å; I482-L487 HydrophobicContact CG2-CD1 4.44Å; L485-L487 VanDerWaalsContact C-N 3.35Å; L485-L487 HydrophobicContact CB-CD1 4Å; L485-L487 HydrophobicContact CB-CD2 4.11Å; L485-L487 HydrophobicContact CB-CG 3.77Å; L485-L487 HydrophobicContact CD1-CD1 4.17Å; L485-L487 PolarHBondContact O-N 3.37Å; L487-A489 PolarHBondContact O-N 3.39Å; L487-L490 HydrophobicContact CB-CD1 4.4Å; L487-L490 HydrophobicContact CD1-CD1 4.34Å; L487-I495 HydrophobicContact CB-CD1 4.34Å; L487-I495 HydrophobicContact CD1-CD1 4.38Å | ||
| 488 | L | 83.9 | Confident | 85.1 | Confident | 126 Ų | 126 | 60.4 Ų | 60.4 | 66% | 0.66 | 34% | 0.335 | S | S | * | . | trans | -73.7 | -12.1 | -170.6 | -65.4 | 177.1 | 0 | 0 | 0 | 115.9 | E437 D486 | E437-L488 PolarHBondContact OE2-N 3.49Å; D486-L488 VanDerWaalsContact C-N 3.28Å; D486-L488 PolarHBondContact O-N 3.38Å; D486-L488 WeakPolarHBondContact OD1-CD2 3.32Å; D486-L488 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 489 | A | 84 | Confident | 85.5 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -98.4 | -27.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R433 R434 E437 L487 | R433-A489 HydrophobicContact CG-CB 3.86Å; R433-A489 VanDerWaalsContact CZ-CB 3.47Å; R434-A489 VanDerWaalsContact CD-O 3.25Å; R434-A489 WeakPolarHBondContact CD-O 3.4Å; R434-A489 HydrophobicContact CG-CB 3.49Å; R434-A489 VanDerWaalsContact CG-CB 3.49Å; R434-A489 WeakPolarHBondContact CG-O 3.16Å; E437-A489 VanDerWaalsContact CD-CB 3.43Å; E437-A489 WeakPolarHBondContact OE1-CB 3.33Å; E437-A489 PolarHBondContact OE1-N 3.48Å; E437-A489 WeakPolarHBondContact OE2-CA 3.44Å; E437-A489 VanDerWaalsContact OE2-CB 3.3Å; E437-A489 WeakPolarHBondContact OE2-CB 3.34Å; E437-A489 PolarHBondContact OE2-N 2.8Å; L487-A489 PolarHBondContact O-N 3.39Å |
| 490 | L | 89.2 | Confident | 86 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -77.9 | 138 | -177.5 | -64.6 | 178.6 | 0 | 0 | 0 | 112.4 | R434 E437 K438 L441 L487 E494 I495 I498 | R434-L490 HydrophobicContact CB-CD2 4.16Å; R434-L490 HydrophobicContact CG-CD2 4.21Å; E437-L490 HydrophobicContact CB-CD1 4.01Å; E437-L490 HydrophobicContact CB-CD2 4.48Å; E437-L490 HydrophobicContact CB-CG 3.89Å; E437-L490 PolarHBondContact OE2-N 2.89Å; K438-L490 HydrophobicContact CB-CD2 4.19Å; L441-L490 HydrophobicContact CD2-CD1 4.29Å; L487-L490 HydrophobicContact CB-CD1 4.4Å; L487-L490 HydrophobicContact CD1-CD1 4.34Å; L490-E494 WeakPolarHBondContact CA-OE2 3.23Å; L490-E494 HydrophobicContact CB-CB 4.48Å; L490-E494 HydrophobicContact CD2-CB 4.35Å; L490-I495 HydrophobicContact CB-CD1 4.14Å; L490-I495 HydrophobicContact CB-CG1 3.79Å; L490-I495 HydrophobicContact CD1-CG1 4.11Å; L490-I498 HydrophobicContact CD1-CD1 4.09Å |
| 491 | T | 88.3 | Confident | 86.6 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | trans | -76.2 | 161.8 | 171.3 | 92.9 | 0 | 0 | 0 | 0 | 111.9 | E493 E494 I495 | T491-E493 WeakPolarHBondContact CB-OE2 3.28Å; T491-E493 PolarHBondContact O-N 3.44Å; T491-E493 PolarHBondContact OG1-N 2.93Å; T491-E493 PolarHBondContact OG1-OE2 2.7Å; T491-E494 HydrophobicContact CG2-CG 4.39Å; T491-E494 PolarHBondContact N-OE2 3.27Å; T491-E494 PolarHBondContact O-N 3.34Å; T491-E494 VanDerWaalsContact O-N 3.12Å; T491-E494 PolarHBondContact OG1-N 2.88Å; T491-I495 WeakPolarHBondContact O-CG1 3.38Å; T491-I495 PolarHBondContact O-N 3.47Å | ||
| 492 | K | 86.9 | Confident | 87.1 | Confident | 178 Ų | 178 | 60.8 Ų | 60.8 | 77% | 0.774 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.8 | -29.3 | 176.7 | -68.7 | 169.1 | -177.1 | 166.1 | 0 | 111.8 | S496 | K492-S496 VanDerWaalsContact O-CB 3.24Å; K492-S496 WeakPolarHBondContact O-CB 3.44Å; K492-S496 PolarHBondContact O-N 2.88Å |
| 493 | E | 88.5 | Confident | 87.5 | Confident | 134 Ų | 134 | 61.2 Ų | 61.2 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.8 | -42.3 | 174.4 | -56.4 | 68.7 | -149.7 | 0 | 0 | 111.4 | T491 S496 G497 | T491-E493 WeakPolarHBondContact CB-OE2 3.28Å; T491-E493 PolarHBondContact O-N 3.44Å; T491-E493 PolarHBondContact OG1-N 2.93Å; T491-E493 PolarHBondContact OG1-OE2 2.7Å; E493-S496 PolarHBondContact O-N 2.89Å; E493-G497 PolarHBondContact O-N 2.63Å |
| 494 | E | 90.4 | Very high | 88 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 174.4 | -69.8 | 176.6 | 145.4 | 0 | 0 | 110.9 | R434 L490 T491 S496 G497 I498 | R434-E494 IonicContact CZ-OE1 2.9Å; R434-E494 IonicContact NH1-OE1 3.81Å; R434-E494 PolarHBondContact NH1-OE1 2.83Å; L490-E494 WeakPolarHBondContact CA-OE2 3.23Å; L490-E494 HydrophobicContact CB-CB 4.48Å; L490-E494 HydrophobicContact CD2-CB 4.35Å; T491-E494 HydrophobicContact CG2-CG 4.39Å; T491-E494 PolarHBondContact N-OE2 3.27Å; T491-E494 PolarHBondContact O-N 3.34Å; T491-E494 VanDerWaalsContact O-N 3.12Å; T491-E494 PolarHBondContact OG1-N 2.88Å; E494-S496 VanDerWaalsContact C-N 3.33Å; E494-S496 PolarHBondContact O-N 3.26Å; E494-G497 PolarHBondContact O-N 3.24Å; E494-I498 WeakPolarHBondContact O-CD1 3.33Å; E494-I498 VanDerWaalsContact O-CG1 3.28Å; E494-I498 WeakPolarHBondContact O-CG1 3.12Å; E494-I498 PolarHBondContact O-N 2.77Å |
| 495 | I | 91.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 59 Ų | 59 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 174.8 | -66.5 | 170 | 0 | 0 | 0 | 111 | L441 I482 L487 L490 T491 I498 Y499 | L441-I495 HydrophobicContact CD2-CB 4.32Å; L441-I495 HydrophobicContact CD2-CG1 4.17Å; L441-I495 HydrophobicContact CD2-CG2 4.05Å; I482-I495 HydrophobicContact CG2-CG2 3.74Å; L487-I495 HydrophobicContact CB-CD1 4.34Å; L487-I495 HydrophobicContact CD1-CD1 4.38Å; L490-I495 HydrophobicContact CB-CD1 4.14Å; L490-I495 HydrophobicContact CB-CG1 3.79Å; L490-I495 HydrophobicContact CD1-CG1 4.11Å; T491-I495 WeakPolarHBondContact O-CG1 3.38Å; T491-I495 PolarHBondContact O-N 3.47Å; I495-I498 PolarHBondContact O-N 3.32Å; I495-Y499 PolarHBondContact O-N 3.4Å |
| 496 | S | 90.8 | Very high | 88.7 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | K492 E493 E494 Y499 Q500 | K492-S496 VanDerWaalsContact O-CB 3.24Å; K492-S496 WeakPolarHBondContact O-CB 3.44Å; K492-S496 PolarHBondContact O-N 2.88Å; E493-S496 PolarHBondContact O-N 2.89Å; E494-S496 VanDerWaalsContact C-N 3.33Å; E494-S496 PolarHBondContact O-N 3.26Å; S496-Y499 PolarHBondContact O-N 2.91Å; S496-Q500 WeakPolarHBondContact O-CB 3.46Å; S496-Q500 WeakPolarHBondContact O-CG 3.4Å; S496-Q500 PolarHBondContact O-N 3.01Å; S496-Q500 PolarHBondContact O-NE2 3.34Å; S496-Q500 PolarHBondContact OG-NE2 3.14Å |
| 497 | G | 91.5 | Very high | 89.1 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E493 E494 Q500 Q501 | E493-G497 PolarHBondContact O-N 2.63Å; E494-G497 PolarHBondContact O-N 3.24Å; G497-Q500 PolarHBondContact O-N 3.25Å; G497-Q501 WeakPolarHBondContact O-CB 3.48Å; G497-Q501 PolarHBondContact O-N 2.9Å |
| 498 | I | 91 | Very high | 89.1 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 175.1 | -68.3 | 159.9 | 0 | 0 | 0 | 110.5 | K438 L441 E442 L445 L490 E494 I495 Q500 Q501 F502 | K438-I498 HydrophobicContact CB-CD1 4.02Å; K438-I498 HydrophobicContact CD-CD1 4.06Å; K438-I498 HydrophobicContact CD-CG1 4.27Å; K438-I498 HydrophobicContact CG-CD1 3.67Å; K438-I498 HydrophobicContact CG-CG1 4.18Å; L441-I498 HydrophobicContact CD2-CB 4.03Å; L441-I498 HydrophobicContact CD2-CD1 3.95Å; L441-I498 HydrophobicContact CD2-CG2 3.73Å; L441-I498 HydrophobicContact CG-CG2 3.84Å; E442-I498 HydrophobicContact CG-CG2 3.57Å; L445-I498 HydrophobicContact CD1-CG2 3.95Å; L490-I498 HydrophobicContact CD1-CD1 4.09Å; E494-I498 WeakPolarHBondContact O-CD1 3.33Å; E494-I498 VanDerWaalsContact O-CG1 3.28Å; E494-I498 WeakPolarHBondContact O-CG1 3.12Å; E494-I498 PolarHBondContact O-N 2.77Å; I495-I498 PolarHBondContact O-N 3.32Å; I498-Q500 PolarHBondContact O-N 2.95Å; I498-Q501 PolarHBondContact O-N 3.12Å; I498-F502 PolarHBondContact O-N 3.44Å |
| 499 | Y | 92.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 178.3 | -175.5 | -93.4 | 0 | 0 | 0 | 112.8 | L445 I469 Q473 L475 V478 I482 I495 S496 F502 Q503 | L445-Y499 HydrophobicContact CD1-CD2 4.41Å; L445-Y499 HydrophobicContact CD2-CD2 3.82Å; L445-Y499 HydrophobicContact CD2-CE2 4.21Å; I469-Y499 HydrophobicContact CD1-CE2 4.49Å; I469-Y499 HydrophobicContact CG2-CE2 4.25Å; Q473-Y499 WeakPolarHBondContact O-CE1 3.21Å; Q473-Y499 PolarHBondContact O-OH 3.34Å; L475-Y499 HydrophobicContact CB-CD1 3.76Å; L475-Y499 HydrophobicContact CB-CE1 3.9Å; L475-Y499 HydrophobicContact CB-CG 4.4Å; L475-Y499 HydrophobicContact CD1-CD1 3.97Å; L475-Y499 HydrophobicContact CD1-CD2 3.99Å; L475-Y499 HydrophobicContact CD1-CE1 4.46Å; L475-Y499 HydrophobicContact CD1-CE2 4.49Å; L475-Y499 HydrophobicContact CD1-CG 3.71Å; L475-Y499 HydrophobicContact CG-CD1 4.35Å; V478-Y499 HydrophobicContact CB-CE2 4.16Å; V478-Y499 HydrophobicContact CG1-CE2 4.46Å; V478-Y499 HydrophobicContact CG2-CE2 4.07Å; V478-Y499 WeakPolarHBondContact CG2-OH 3.19Å; I482-Y499 HydrophobicContact CD1-CD2 3.82Å; I482-Y499 HydrophobicContact CD1-CE2 4.25Å; I495-Y499 PolarHBondContact O-N 3.4Å; S496-Y499 PolarHBondContact O-N 2.91Å; Y499-F502 PolarHBondContact O-N 3.37Å; Y499-Q503 HydrophobicContact CD1-CG 3.96Å; Y499-Q503 HydrophobicContact CE1-CG 3.46Å; Y499-Q503 VanDerWaalsContact CE1-CG 3.46Å; Y499-Q503 HydrophobicContact CE2-CG 4.46Å; Y499-Q503 WeakPolarHBondContact O-CB 3.25Å; Y499-Q503 WeakPolarHBondContact O-CG 3.28Å; Y499-Q503 PolarHBondContact O-N 2.87Å; Y499-Q503 PolarHBondContact OH-NE2 2.95Å |
| 500 | Q | 92.6 | Very high | 89.3 | Confident | 114 Ų | 114 | 54.8 Ų | 54.8 | 53% | 0.533 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.2 | -75.2 | 171.7 | 53.3 | 0 | 0 | 111.9 | S496 G497 I498 Q503 L504 | S496-Q500 WeakPolarHBondContact O-CB 3.46Å; S496-Q500 WeakPolarHBondContact O-CG 3.4Å; S496-Q500 PolarHBondContact O-N 3.01Å; S496-Q500 PolarHBondContact O-NE2 3.34Å; S496-Q500 PolarHBondContact OG-NE2 3.14Å; G497-Q500 PolarHBondContact O-N 3.25Å; I498-Q500 PolarHBondContact O-N 2.95Å; Q500-Q503 PolarHBondContact O-N 2.82Å; Q500-L504 WeakPolarHBondContact O-CG 3.29Å; Q500-L504 PolarHBondContact O-N 3.07Å |
| 501 | Q | 90.1 | Very high | 89.3 | Confident | 129 Ų | 129 | 56.5 Ų | 56.5 | 60% | 0.603 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 177.2 | -172.9 | 62.6 | 23.1 | 0 | 0 | 111.9 | G497 I498 L504 G505 | G497-Q501 WeakPolarHBondContact O-CB 3.48Å; G497-Q501 PolarHBondContact O-N 2.9Å; I498-Q501 PolarHBondContact O-N 3.12Å; Q501-L504 PolarHBondContact O-N 3.06Å; Q501-G505 PolarHBondContact O-N 3.45Å; Q501-G505 VanDerWaalsContact O-N 3.12Å |
| 502 | F | 90.5 | Very high | 89.1 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 172.4 | 172 | -101.1 | 0 | 0 | 0 | 111.9 | L445 H446 I469 I498 Y499 L504 G505 L506 | L445-F502 HydrophobicContact CB-CD1 4.03Å; L445-F502 HydrophobicContact CB-CD2 3.81Å; L445-F502 HydrophobicContact CB-CE1 4.21Å; L445-F502 HydrophobicContact CB-CE2 4Å; L445-F502 HydrophobicContact CB-CG 3.83Å; L445-F502 HydrophobicContact CB-CZ 4.19Å; L445-F502 HydrophobicContact CD1-CB 4.01Å; L445-F502 HydrophobicContact CD1-CD1 4.42Å; L445-F502 HydrophobicContact CD1-CG 4.16Å; L445-F502 HydrophobicContact CD2-CD1 4.4Å; L445-F502 HydrophobicContact CG-CG 4.5Å; L445-F502 WeakPolarHBondContact O-CE2 3.49Å; L445-F502 WeakPolarHBondContact O-CZ 3.25Å; H446-F502 AromaticContact CD2-CD2 3.76Å; H446-F502 AromaticContact CG-CE2 4Å; H446-F502 AromaticContact NE2-CD2 3.81Å; I469-F502 HydrophobicContact CB-CE1 4.11Å; I469-F502 HydrophobicContact CD1-CE1 3.78Å; I469-F502 HydrophobicContact CD1-CZ 4.34Å; I469-F502 HydrophobicContact CG2-CE1 3.97Å; I498-F502 PolarHBondContact O-N 3.44Å; Y499-F502 PolarHBondContact O-N 3.37Å; F502-L504 VanDerWaalsContact C-N 3.34Å; F502-L504 PolarHBondContact O-N 3.23Å; F502-G505 PolarHBondContact O-N 3.36Å; F502-G505 VanDerWaalsContact O-N 3.16Å; F502-L506 HydrophobicContact CE1-CD2 4.01Å; F502-L506 HydrophobicContact CZ-CD2 4.25Å; F502-L506 WeakPolarHBondContact O-CB 3.31Å; F502-L506 PolarHBondContact O-N 3.03Å |
| 503 | Q | 91 | Very high | 89 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 177.8 | -86.8 | -68.6 | -14 | 0 | 0 | 112.8 | I469 L470 Q473 Y499 Q500 L506 H507 | I469-Q503 VanDerWaalsContact CG2-NE2 3.29Å; L470-Q503 PolarHBondContact O-NE2 3.01Å; L470-Q503 PolarHBondContact O-OE1 3.23Å; Q473-Q503 PolarHBondContact O-NE2 3.4Å; Y499-Q503 HydrophobicContact CD1-CG 3.96Å; Y499-Q503 HydrophobicContact CE1-CG 3.46Å; Y499-Q503 VanDerWaalsContact CE1-CG 3.46Å; Y499-Q503 HydrophobicContact CE2-CG 4.46Å; Y499-Q503 WeakPolarHBondContact O-CB 3.25Å; Y499-Q503 WeakPolarHBondContact O-CG 3.28Å; Y499-Q503 PolarHBondContact O-N 2.87Å; Y499-Q503 PolarHBondContact OH-NE2 2.95Å; Q500-Q503 PolarHBondContact O-N 2.82Å; Q503-L506 PolarHBondContact O-N 3.12Å; Q503-H507 VanDerWaalsContact O-CB 3.23Å; Q503-H507 WeakPolarHBondContact O-CB 3.32Å; Q503-H507 PolarHBondContact O-N 3.19Å |
| 504 | L | 90.3 | Very high | 89.2 | Confident | 90 Ų | 90 | 41.5 Ų | 41.5 | 47% | 0.471 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 173.4 | -73 | 168.5 | 0 | 0 | 0 | 111.8 | Q500 Q501 F502 L506 H507 I508 | Q500-L504 WeakPolarHBondContact O-CG 3.29Å; Q500-L504 PolarHBondContact O-N 3.07Å; Q501-L504 PolarHBondContact O-N 3.06Å; F502-L504 VanDerWaalsContact C-N 3.34Å; F502-L504 PolarHBondContact O-N 3.23Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 2.88Å; L504-H507 PolarHBondContact O-N 3.41Å; L504-I508 WeakPolarHBondContact O-CG1 2.88Å; L504-I508 PolarHBondContact O-N 3.42Å; L504-I508 VanDerWaalsContact O-N 3.14Å |
| 505 | G | 86.1 | Confident | 89.1 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q501 F502 R509 | Q501-G505 PolarHBondContact O-N 3.45Å; Q501-G505 VanDerWaalsContact O-N 3.12Å; F502-G505 PolarHBondContact O-N 3.36Å; F502-G505 VanDerWaalsContact O-N 3.16Å; G505-R509 WeakPolarHBondContact O-CG 3.45Å; G505-R509 PolarHBondContact O-N 3.21Å; G505-R509 PolarHBondContact O-NE 2.95Å; G505-R509 PolarHBondContact O-NH1 3.14Å |
| 506 | L | 87.3 | Confident | 88.9 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.8 | -42.6 | 175.2 | -176.3 | 65.6 | 0 | 0 | 0 | 111.9 | I469 P471 F502 Q503 L504 R509 V510 | I469-L506 HydrophobicContact CG2-CD2 4.37Å; I469-L506 WeakPolarHBondContact O-CD2 3.11Å; P471-L506 HydrophobicContact CB-CD2 4.42Å; P471-L506 HydrophobicContact CB-CG 4.14Å; F502-L506 HydrophobicContact CE1-CD2 4.01Å; F502-L506 HydrophobicContact CZ-CD2 4.25Å; F502-L506 WeakPolarHBondContact O-CB 3.31Å; F502-L506 PolarHBondContact O-N 3.03Å; Q503-L506 PolarHBondContact O-N 3.12Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 2.88Å; L506-R509 PolarHBondContact O-N 3.48Å; L506-V510 HydrophobicContact CD1-CG2 4.36Å; L506-V510 PolarHBondContact O-N 2.93Å |
| 507 | H | 89.2 | Confident | 88.9 | Confident | 51 Ų | 51 | 38 Ų | 38 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | 177.4 | 175.1 | -151.8 | 0 | 0 | 0 | 112.2 | P471 Q503 L504 R511 L627 E630 | P471-H507 HydrophobicContact CB-CB 4.28Å; Q503-H507 VanDerWaalsContact O-CB 3.23Å; Q503-H507 WeakPolarHBondContact O-CB 3.32Å; Q503-H507 PolarHBondContact O-N 3.19Å; L504-H507 PolarHBondContact O-N 3.41Å; H507-R511 VanDerWaalsContact O-CB 3.24Å; H507-R511 WeakPolarHBondContact O-CB 3.35Å; H507-R511 PolarHBondContact O-N 3.24Å; H507-L627 WeakPolarHBondContact CD2-CD1 3.3Å; H507-E630 IonicContact CD2-OE2 2.67Å; H507-E630 IonicContact CE1-OE1 3.92Å; H507-E630 IonicContact CE1-OE2 3.29Å; H507-E630 VanDerWaalsContact NE2-CD 3.32Å; H507-E630 IonicContact NE2-OE1 3.49Å; H507-E630 PolarHBondContact NE2-OE1 3.34Å; H507-E630 VanDerWaalsContact NE2-OE1 3.09Å; H507-E630 IonicContact NE2-OE2 2.64Å; H507-E630 PolarHBondContact NE2-OE2 2.83Å |
| 508 | I | 86 | Confident | 88.9 | Confident | 47 Ų | 47 | 36.2 Ų | 36.2 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 178.9 | -62.4 | 164.1 | 0 | 0 | 0 | 110.6 | L504 R511 E512 P1115 | L504-I508 WeakPolarHBondContact O-CG1 2.88Å; L504-I508 PolarHBondContact O-N 3.42Å; L504-I508 VanDerWaalsContact O-N 3.14Å; I508-R511 WeakPolarHBondContact O-CB 3.38Å; I508-R511 PolarHBondContact O-N 3.43Å; I508-E512 WeakPolarHBondContact O-CG 3.42Å; I508-E512 PolarHBondContact O-N 3.34Å; I508-P1115 WeakPolarHBondContact CG2-O 3.34Å |
| 509 | R | 84.3 | Confident | 88.6 | Confident | 66 Ų | 66 | 36.8 Ų | 36.8 | 25% | 0.249 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -50.9 | 179.4 | -73 | -174 | -65 | -96.2 | -0.7 | 112.6 | G505 L506 R511 E512 D513 | G505-R509 WeakPolarHBondContact O-CG 3.45Å; G505-R509 PolarHBondContact O-N 3.21Å; G505-R509 PolarHBondContact O-NE 2.95Å; G505-R509 PolarHBondContact O-NH1 3.14Å; L506-R509 PolarHBondContact O-N 3.48Å; R509-R511 VanDerWaalsContact C-N 3.3Å; R509-R511 PolarHBondContact O-N 3.15Å; R509-E512 WeakPolarHBondContact O-CB 3.46Å; R509-E512 PolarHBondContact O-N 2.81Å; R509-E512 VanDerWaalsContact O-N 3.07Å; R509-D513 PolarHBondContact O-N 2.85Å |
| 510 | V | 86.9 | Confident | 88.3 | Confident | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -31.8 | -179.5 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | P471 L506 E512 F514 A623 M624 | P471-V510 HydrophobicContact CB-CB 4.43Å; P471-V510 HydrophobicContact CG-CB 3.86Å; P471-V510 HydrophobicContact CG-CG1 3.89Å; P471-V510 HydrophobicContact CG-CG2 3.91Å; L506-V510 HydrophobicContact CD1-CG2 4.36Å; L506-V510 PolarHBondContact O-N 2.93Å; V510-E512 VanDerWaalsContact C-N 3.35Å; V510-F514 WeakPolarHBondContact O-CB 3.15Å; V510-F514 PolarHBondContact O-N 2.77Å; V510-A623 HydrophobicContact CG1-CB 3.57Å; V510-A623 HydrophobicContact CG2-CB 4.35Å; V510-M624 HydrophobicContact CG1-CG 3.8Å |
| 511 | R | 89.4 | Confident | 88 | Confident | 52 Ų | 52 | 36.7 Ų | 36.7 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 171.3 | 179.5 | -172.5 | 169.6 | 86.2 | 1.4 | 111.7 | H507 I508 R509 L515 E630 L634 T876 | H507-R511 VanDerWaalsContact O-CB 3.24Å; H507-R511 WeakPolarHBondContact O-CB 3.35Å; H507-R511 PolarHBondContact O-N 3.24Å; I508-R511 WeakPolarHBondContact O-CB 3.38Å; I508-R511 PolarHBondContact O-N 3.43Å; R509-R511 VanDerWaalsContact C-N 3.3Å; R509-R511 PolarHBondContact O-N 3.15Å; R511-L515 HydrophobicContact CG-CD1 4.42Å; R511-L515 WeakPolarHBondContact O-CB 3.34Å; R511-L515 VanDerWaalsContact O-CG 3.27Å; R511-L515 WeakPolarHBondContact O-CG 3.21Å; R511-L515 PolarHBondContact O-N 3.48Å; R511-E630 WeakPolarHBondContact CD-OE1 3.27Å; R511-E630 IonicContact CZ-OE1 3.21Å; R511-E630 IonicContact NE-OE1 3.42Å; R511-E630 IonicContact NH1-OE1 2.67Å; R511-E630 PolarHBondContact NH1-OE1 3.42Å; R511-L634 HydrophobicContact CG-CD1 4.24Å; R511-T876 PolarHBondContact NH2-OG1 3.46Å |
| 512 | E | 84 | Confident | 87.8 | Confident | 22 Ų | 22 | 30.7 Ų | 30.7 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.4 | -48.5 | 175.7 | -72.5 | 174.5 | 166.8 | 0 | 0 | 111.6 | I508 R509 V510 F514 L515 D516 H1116 R1117 | I508-E512 WeakPolarHBondContact O-CG 3.42Å; I508-E512 PolarHBondContact O-N 3.34Å; R509-E512 WeakPolarHBondContact O-CB 3.46Å; R509-E512 PolarHBondContact O-N 2.81Å; R509-E512 VanDerWaalsContact O-N 3.07Å; V510-E512 VanDerWaalsContact C-N 3.35Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 3.3Å; E512-L515 WeakPolarHBondContact O-CB 3.46Å; E512-L515 PolarHBondContact O-N 3.48Å; E512-L515 VanDerWaalsContact O-N 3.08Å; E512-D516 PolarHBondContact O-N 2.8Å; E512-H1116 IonicContact OE1-CE1 2.72Å; E512-H1116 IonicContact OE1-CG 2.7Å; E512-H1116 IonicContact OE1-ND1 3.67Å; E512-H1116 PolarHBondContact OE1-ND1 2.72Å; E512-H1116 WeakPolarHBondContact OE2-CA 3.16Å; E512-R1117 PolarHBondContact OE2-N 2.81Å |
| 513 | D | 85.3 | Confident | 87.3 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.193 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 176.5 | -65.9 | -42.5 | 0 | 0 | 0 | 111.7 | R509 D516 L517 R620 R1117 | R509-D513 PolarHBondContact O-N 2.85Å; D513-D516 PolarHBondContact O-N 2.85Å; D513-L517 PolarHBondContact O-N 2.91Å; D513-R620 HydrophobicContact CB-CG 4.18Å; D513-R620 WeakPolarHBondContact O-CD 2.78Å; D513-R1117 IonicContact OD1-CZ 3.23Å; D513-R1117 IonicContact OD1-NH1 2.74Å; D513-R1117 PolarHBondContact OD1-NH1 3.14Å |
| 514 | F | 92.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -36.2 | 173.7 | -174.4 | -98.3 | 0 | 0 | 0 | 112.8 | V510 E512 D516 L517 L518 Y621 M624 R631 L634 I635 | V510-F514 WeakPolarHBondContact O-CB 3.15Å; V510-F514 PolarHBondContact O-N 2.77Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 3.3Å; F514-D516 VanDerWaalsContact C-N 3.25Å; F514-D516 PolarHBondContact O-N 3.3Å; F514-L517 HydrophobicContact CD2-CD2 3.96Å; F514-L517 HydrophobicContact CE2-CD2 3.89Å; F514-L517 WeakPolarHBondContact O-CB 3.48Å; F514-L517 PolarHBondContact O-N 2.81Å; F514-L518 HydrophobicContact CD1-CD1 4.48Å; F514-L518 HydrophobicContact CD1-CG 4.32Å; F514-L518 HydrophobicContact CE1-CD1 3.94Å; F514-L518 HydrophobicContact CE1-CD2 3.77Å; F514-L518 HydrophobicContact CE1-CG 3.91Å; F514-L518 HydrophobicContact CE2-CD2 4.43Å; F514-L518 HydrophobicContact CZ-CD2 3.68Å; F514-L518 HydrophobicContact CZ-CG 4.32Å; F514-L518 WeakPolarHBondContact O-CG 3.19Å; F514-L518 PolarHBondContact O-N 3.44Å; F514-L518 VanDerWaalsContact O-N 3.14Å; F514-Y621 AromaticContact CE2-CD2 3.83Å; F514-Y621 HydrophobicContact CE2-CD2 3.83Å; F514-Y621 HydrophobicContact CE2-CG 4.32Å; F514-Y621 HydrophobicContact CZ-CD2 4.34Å; F514-M624 HydrophobicContact CB-CG 4.25Å; F514-M624 HydrophobicContact CB-SD 3.65Å; F514-M624 HydrophobicContact CD1-SD 3.55Å; F514-M624 VanDerWaalsContact CD1-SD 3.55Å; F514-M624 HydrophobicContact CD2-CG 4.32Å; F514-M624 HydrophobicContact CD2-SD 3.87Å; F514-M624 HydrophobicContact CE1-SD 4.21Å; F514-M624 HydrophobicContact CE2-SD 4.49Å; F514-M624 HydrophobicContact CG-CG 4.24Å; F514-M624 HydrophobicContact CG-SD 3.37Å; F514-M624 WeakPolarHBondContact CG-SD 3.32Å; F514-R631 HydrophobicContact CE1-CG 4.04Å; F514-R631 HydrophobicContact CE2-CG 3.84Å; F514-R631 HydrophobicContact CZ-CG 3.52Å; F514-L634 HydrophobicContact CD1-CB 4.32Å; F514-L634 HydrophobicContact CD1-CD1 3.93Å; F514-L634 HydrophobicContact CE1-CB 4Å; F514-L634 HydrophobicContact CE1-CD1 4.4Å; F514-I635 HydrophobicContact CE1-CG1 4.17Å; F514-I635 HydrophobicContact CZ-CD1 4.02Å; F514-I635 HydrophobicContact CZ-CG1 3.79Å |
| 515 | L | 89.2 | Confident | 87 | Confident | 39 Ų | 39 | 30.8 Ų | 30.8 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -26.5 | 174.1 | -81.4 | 171 | 0 | 0 | 0 | 112.7 | R511 E512 V519 L634 R1119 | R511-L515 HydrophobicContact CG-CD1 4.42Å; R511-L515 WeakPolarHBondContact O-CB 3.34Å; R511-L515 VanDerWaalsContact O-CG 3.27Å; R511-L515 WeakPolarHBondContact O-CG 3.21Å; R511-L515 PolarHBondContact O-N 3.48Å; E512-L515 WeakPolarHBondContact O-CB 3.46Å; E512-L515 PolarHBondContact O-N 3.48Å; E512-L515 VanDerWaalsContact O-N 3.08Å; L515-V519 WeakPolarHBondContact O-CG2 3.37Å; L515-L634 HydrophobicContact CD2-CD1 4.34Å; L515-L634 HydrophobicContact CD2-CD2 4.17Å; L515-L634 HydrophobicContact CG-CD1 4.35Å; L515-R1119 VanDerWaalsContact C-NH1 3.31Å; L515-R1119 PolarHBondContact O-NH1 2.98Å |
| 516 | D | 86.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76 | -39.2 | 170.8 | -77.9 | -7.6 | 0 | 0 | 0 | 112.1 | E512 D513 F514 L518 V519 E520 R1119 S1120 A1123 | E512-D516 PolarHBondContact O-N 2.8Å; D513-D516 PolarHBondContact O-N 2.85Å; F514-D516 VanDerWaalsContact C-N 3.25Å; F514-D516 PolarHBondContact O-N 3.3Å; D516-L518 VanDerWaalsContact C-N 3.27Å; D516-L518 PolarHBondContact O-N 3.25Å; D516-V519 PolarHBondContact O-N 3.2Å; D516-E520 WeakPolarHBondContact O-CG 3.4Å; D516-E520 PolarHBondContact O-N 3.21Å; D516-R1119 WeakPolarHBondContact OD1-CB 3.35Å; D516-R1119 VanDerWaalsContact OD1-CD 3.23Å; D516-R1119 WeakPolarHBondContact OD1-CD 3.39Å; D516-R1119 WeakPolarHBondContact OD1-CG 3.16Å; D516-R1119 IonicContact OD1-CZ 2.61Å; D516-R1119 IonicContact OD1-NE 3.94Å; D516-R1119 IonicContact OD1-NH1 2.59Å; D516-R1119 PolarHBondContact OD1-NH1 3.33Å; D516-R1119 WeakPolarHBondContact OD2-CA 3.48Å; D516-S1120 PolarHBondContact OD2-N 3.45Å; D516-A1123 HydrophobicContact CB-CB 4.3Å |
| 517 | L | 90.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.7 | -44.2 | 169.5 | 169.5 | 61.4 | 0 | 0 | 0 | 112 | D513 F514 V519 E520 Q521 L615 D618 R620 | D513-L517 PolarHBondContact O-N 2.91Å; F514-L517 HydrophobicContact CD2-CD2 3.96Å; F514-L517 HydrophobicContact CE2-CD2 3.89Å; F514-L517 WeakPolarHBondContact O-CB 3.48Å; F514-L517 PolarHBondContact O-N 2.81Å; L517-V519 VanDerWaalsContact C-N 3.28Å; L517-V519 PolarHBondContact O-N 3.01Å; L517-E520 PolarHBondContact O-N 3.05Å; L517-Q521 HydrophobicContact CD1-CG 3.69Å; L517-Q521 WeakPolarHBondContact O-CB 3.39Å; L517-Q521 WeakPolarHBondContact O-CG 3.37Å; L517-Q521 PolarHBondContact O-N 3.25Å; L517-L615 HydrophobicContact CD1-CD2 4.07Å; L517-L615 HydrophobicContact CD2-CD2 4.45Å; L517-L615 HydrophobicContact CG-CD2 4.15Å; L517-D618 HydrophobicContact CD1-CB 3.86Å; L517-D618 WeakPolarHBondContact CD1-OD2 3.16Å; L517-D618 HydrophobicContact CD2-CB 3.85Å; L517-R620 HydrophobicContact CB-CB 4.49Å; L517-R620 HydrophobicContact CD2-CB 4.25Å |
| 518 | L | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -35 | 178.5 | -60.1 | -165.3 | 0 | 0 | 0 | 112.7 | F514 D516 T522 F525 L615 L634 I635 Y638 | F514-L518 HydrophobicContact CD1-CD1 4.48Å; F514-L518 HydrophobicContact CD1-CG 4.32Å; F514-L518 HydrophobicContact CE1-CD1 3.94Å; F514-L518 HydrophobicContact CE1-CD2 3.77Å; F514-L518 HydrophobicContact CE1-CG 3.91Å; F514-L518 HydrophobicContact CE2-CD2 4.43Å; F514-L518 HydrophobicContact CZ-CD2 3.68Å; F514-L518 HydrophobicContact CZ-CG 4.32Å; F514-L518 WeakPolarHBondContact O-CG 3.19Å; F514-L518 PolarHBondContact O-N 3.44Å; F514-L518 VanDerWaalsContact O-N 3.14Å; D516-L518 VanDerWaalsContact C-N 3.27Å; D516-L518 PolarHBondContact O-N 3.25Å; L518-T522 PolarHBondContact O-N 3.02Å; L518-F525 HydrophobicContact CB-CE2 4.48Å; L518-F525 HydrophobicContact CD2-CE2 3.98Å; L518-F525 HydrophobicContact CD2-CZ 3.86Å; L518-L615 HydrophobicContact CD2-CD1 3.88Å; L518-L634 HydrophobicContact CD1-CB 4.17Å; L518-I635 HydrophobicContact CD2-CG1 4.12Å; L518-Y638 HydrophobicContact CB-CD1 4.03Å; L518-Y638 HydrophobicContact CB-CD2 4.39Å; L518-Y638 HydrophobicContact CB-CE1 4.36Å; L518-Y638 HydrophobicContact CB-CG 4.06Å; L518-Y638 HydrophobicContact CD1-CG 4.14Å; L518-Y638 WeakPolarHBondContact O-CE1 3.49Å |
| 519 | V | 85 | Confident | 86.3 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 13% | 0.127 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.7 | -39.6 | -179.9 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | L515 D516 L517 Q521 T522 Y638 A1123 A1127 | L515-V519 WeakPolarHBondContact O-CG2 3.37Å; D516-V519 PolarHBondContact O-N 3.2Å; L517-V519 VanDerWaalsContact C-N 3.28Å; L517-V519 PolarHBondContact O-N 3.01Å; V519-Q521 PolarHBondContact O-N 3.18Å; V519-T522 WeakPolarHBondContact O-CB 3.31Å; V519-T522 PolarHBondContact O-N 2.73Å; V519-T522 PolarHBondContact O-OG1 2.81Å; V519-Y638 HydrophobicContact CG2-CE2 3.97Å; V519-A1123 HydrophobicContact CG1-CB 4.19Å; V519-A1127 HydrophobicContact CG1-CB 3.58Å |
| 520 | E | 85.7 | Confident | 86.2 | Confident | 54 Ų | 54 | 32.6 Ų | 32.6 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.7 | -36.5 | 172.5 | -71.9 | 164.9 | -155.8 | 0 | 0 | 111.6 | D516 L517 T522 R620 S1120 A1123 | D516-E520 WeakPolarHBondContact O-CG 3.4Å; D516-E520 PolarHBondContact O-N 3.21Å; L517-E520 PolarHBondContact O-N 3.05Å; E520-T522 PolarHBondContact O-N 3.04Å; E520-R620 IonicContact OE1-NH1 3.22Å; E520-R620 PolarHBondContact OE1-NH1 2.87Å; E520-R620 IonicContact OE2-CZ 2.76Å; E520-R620 IonicContact OE2-NH1 3.75Å; E520-R620 PolarHBondContact OE2-NH1 2.74Å; E520-R620 IonicContact OE2-NH2 2.81Å; E520-R620 PolarHBondContact OE2-NH2 3.17Å; E520-S1120 PolarHBondContact OE1-OG 3.01Å; E520-A1123 HydrophobicContact CG-CB 3.6Å |
| 521 | Q | 86.8 | Confident | 85.9 | Confident | 65 Ų | 65 | 33 Ų | 33 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 19.2 | -179.5 | -58.2 | -64.3 | -18.6 | 0 | 0 | 113.8 | L517 V519 E523 I524 F525 L615 | L517-Q521 HydrophobicContact CD1-CG 3.69Å; L517-Q521 WeakPolarHBondContact O-CB 3.39Å; L517-Q521 WeakPolarHBondContact O-CG 3.37Å; L517-Q521 PolarHBondContact O-N 3.25Å; V519-Q521 PolarHBondContact O-N 3.18Å; Q521-E523 PolarHBondContact O-N 3.38Å; Q521-E523 VanDerWaalsContact O-N 3.13Å; Q521-I524 HydrophobicContact CB-CD1 4.43Å; Q521-I524 WeakPolarHBondContact O-CB 3.5Å; Q521-I524 PolarHBondContact O-N 2.9Å; Q521-F525 PolarHBondContact O-N 2.97Å; Q521-L615 HydrophobicContact CB-CD2 3.89Å; Q521-L615 HydrophobicContact CG-CD2 3.77Å |
| 522 | T | 85.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.2 | -36.7 | -180 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | L518 V519 E520 I524 F525 V526 Y638 | L518-T522 PolarHBondContact O-N 3.02Å; V519-T522 WeakPolarHBondContact O-CB 3.31Å; V519-T522 PolarHBondContact O-N 2.73Å; V519-T522 PolarHBondContact O-OG1 2.81Å; E520-T522 PolarHBondContact O-N 3.04Å; T522-I524 VanDerWaalsContact C-N 3.27Å; T522-I524 PolarHBondContact O-N 3.2Å; T522-F525 PolarHBondContact O-N 3.31Å; T522-F525 VanDerWaalsContact O-N 3.13Å; T522-V526 HydrophobicContact CG2-CG2 4.03Å; T522-V526 WeakPolarHBondContact O-CG2 3.48Å; T522-V526 PolarHBondContact O-N 2.74Å; T522-Y638 PolarHBondContact OG1-OH 3.29Å |
| 523 | E | 80.6 | Confident | 85.4 | Confident | 92 Ų | 92 | 33 Ų | 33 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.8 | -39.8 | 177.4 | -157.5 | -161 | 154.7 | 0 | 0 | 112.4 | Q521 K527 S1130 | Q521-E523 PolarHBondContact O-N 3.38Å; Q521-E523 VanDerWaalsContact O-N 3.13Å; E523-K527 VanDerWaalsContact O-CG 3.3Å; E523-K527 WeakPolarHBondContact O-CG 3.42Å; E523-K527 PolarHBondContact O-N 2.87Å; E523-K527 VanDerWaalsContact O-N 3.13Å; E523-K527 VanDerWaalsContact OE1-CE 3.22Å; E523-K527 WeakPolarHBondContact OE1-CE 3.43Å; E523-K527 IonicContact OE1-NZ 2.58Å; E523-K527 PolarHBondContact OE1-NZ 3.42Å; E523-S1130 VanDerWaalsContact CB-OG 3.32Å; E523-S1130 WeakPolarHBondContact CB-OG 3.45Å |
| 524 | I | 86.6 | Confident | 84.9 | Confident | 37 Ų | 37 | 34.9 Ų | 34.9 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.7 | -45.8 | 177.5 | -51.3 | -173.8 | 0 | 0 | 0 | 109.4 | Q521 T522 V526 K527 T528 W610 L611 Q614 | Q521-I524 HydrophobicContact CB-CD1 4.43Å; Q521-I524 WeakPolarHBondContact O-CB 3.5Å; Q521-I524 PolarHBondContact O-N 2.9Å; T522-I524 VanDerWaalsContact C-N 3.27Å; T522-I524 PolarHBondContact O-N 3.2Å; I524-V526 PolarHBondContact O-N 3.27Å; I524-K527 PolarHBondContact O-N 3.35Å; I524-T528 PolarHBondContact O-N 3.43Å; I524-T528 PolarHBondContact O-OG1 2.94Å; I524-W610 HydrophobicContact CG2-CH2 4Å; I524-W610 HydrophobicContact CG2-CZ3 3.64Å; I524-L611 HydrophobicContact CB-CD2 4.4Å; I524-L611 HydrophobicContact CG2-CD2 3.71Å; I524-Q614 HydrophobicContact CD1-CB 4.49Å; I524-Q614 HydrophobicContact CG2-CG 4.45Å |
| 525 | F | 87.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 176.7 | -82.7 | -90.8 | 0 | 0 | 0 | 112.5 | L518 Q521 T522 T528 V529 L611 L615 I635 Y638 F639 L642 | L518-F525 HydrophobicContact CB-CE2 4.48Å; L518-F525 HydrophobicContact CD2-CE2 3.98Å; L518-F525 HydrophobicContact CD2-CZ 3.86Å; Q521-F525 PolarHBondContact O-N 2.97Å; T522-F525 PolarHBondContact O-N 3.31Å; T522-F525 VanDerWaalsContact O-N 3.13Å; F525-T528 PolarHBondContact O-N 3.46Å; F525-V529 WeakPolarHBondContact O-CG2 3.23Å; F525-V529 PolarHBondContact O-N 3.12Å; F525-L611 HydrophobicContact CD1-CD1 3.76Å; F525-L611 HydrophobicContact CD1-CD2 4.15Å; F525-L611 HydrophobicContact CD2-CD2 4.16Å; F525-L611 HydrophobicContact CE1-CD1 3.78Å; F525-L611 HydrophobicContact CE1-CD2 4.28Å; F525-L611 HydrophobicContact CE2-CD2 4.28Å; F525-L611 HydrophobicContact CG-CD1 4.46Å; F525-L611 HydrophobicContact CG-CD2 4.08Å; F525-L611 HydrophobicContact CZ-CD1 4.49Å; F525-L611 HydrophobicContact CZ-CD2 4.33Å; F525-L615 HydrophobicContact CE2-CD1 4.02Å; F525-L615 HydrophobicContact CZ-CD1 3.99Å; F525-I635 HydrophobicContact CE1-CG2 4.12Å; F525-I635 HydrophobicContact CZ-CG2 4.13Å; F525-Y638 HydrophobicContact CB-CD1 4.47Å; F525-Y638 HydrophobicContact CB-CE1 4.45Å; F525-Y638 AromaticContact CD1-CD1 3.84Å; F525-Y638 HydrophobicContact CD1-CD1 3.84Å; F525-Y638 AromaticContact CD2-CD1 3.92Å; F525-Y638 HydrophobicContact CD2-CD1 3.92Å; F525-Y638 HydrophobicContact CD2-CE1 4.14Å; F525-Y638 AromaticContact CE1-CD1 3.98Å; F525-Y638 HydrophobicContact CE1-CD1 3.98Å; F525-Y638 HydrophobicContact CE2-CD1 4.06Å; F525-Y638 AromaticContact CG-CD1 3.82Å; F525-Y638 HydrophobicContact CG-CD1 3.82Å; F525-Y638 HydrophobicContact CG-CE1 4.16Å; F525-Y638 HydrophobicContact CZ-CD1 4.1Å; F525-F639 HydrophobicContact CD1-CB 4.15Å; F525-F639 HydrophobicContact CD1-CD2 4.24Å; F525-F639 HydrophobicContact CE1-CB 4.17Å; F525-L642 HydrophobicContact CB-CD1 3.65Å; F525-L642 HydrophobicContact CG-CD1 4.42Å |
| 526 | V | 81.9 | Confident | 83.3 | Confident | 31 Ų | 31 | 39.5 Ų | 39.5 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | T522 I524 T528 V529 L530 | T522-V526 HydrophobicContact CG2-CG2 4.03Å; T522-V526 WeakPolarHBondContact O-CG2 3.48Å; T522-V526 PolarHBondContact O-N 2.74Å; I524-V526 PolarHBondContact O-N 3.27Å; V526-T528 VanDerWaalsContact C-N 3.31Å; V526-T528 PolarHBondContact O-N 2.98Å; V526-V529 PolarHBondContact O-N 2.96Å; V526-L530 HydrophobicContact CG1-CD1 4.05Å; V526-L530 HydrophobicContact CG1-CG 4.44Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å; V526-L530 PolarHBondContact O-N 2.84Å |
| 527 | K | 83.4 | Confident | 82.3 | Confident | 113 Ų | 113 | 47.9 Ų | 47.9 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 174.7 | -72.5 | 170 | -174.2 | 173.1 | 0 | 112.4 | E523 I524 G531 | E523-K527 VanDerWaalsContact O-CG 3.3Å; E523-K527 WeakPolarHBondContact O-CG 3.42Å; E523-K527 PolarHBondContact O-N 2.87Å; E523-K527 VanDerWaalsContact O-N 3.13Å; E523-K527 VanDerWaalsContact OE1-CE 3.22Å; E523-K527 WeakPolarHBondContact OE1-CE 3.43Å; E523-K527 IonicContact OE1-NZ 2.58Å; E523-K527 PolarHBondContact OE1-NZ 3.42Å; I524-K527 PolarHBondContact O-N 3.35Å; K527-G531 PolarHBondContact O-N 2.88Å |
| 528 | T | 85.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69 | -38.4 | 176.8 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | I524 F525 V526 G531 Y532 Q607 W610 L611 F639 | I524-T528 PolarHBondContact O-N 3.43Å; I524-T528 PolarHBondContact O-OG1 2.94Å; F525-T528 PolarHBondContact O-N 3.46Å; V526-T528 VanDerWaalsContact C-N 3.31Å; V526-T528 PolarHBondContact O-N 2.98Å; T528-G531 PolarHBondContact O-N 3.48Å; T528-Y532 VanDerWaalsContact O-CB 3.32Å; T528-Y532 WeakPolarHBondContact O-CB 3.45Å; T528-Y532 PolarHBondContact O-N 2.97Å; T528-Q607 HydrophobicContact CG2-CB 3.67Å; T528-Q607 HydrophobicContact CG2-CG 4.36Å; T528-W610 VanDerWaalsContact OG1-CZ3 3.27Å; T528-W610 WeakPolarHBondContact OG1-CZ3 3.43Å; T528-L611 HydrophobicContact CG2-CD1 3.67Å; T528-L611 HydrophobicContact CG2-CG 3.85Å; T528-L611 WeakPolarHBondContact OG1-CD2 3.28Å; T528-F639 HydrophobicContact CG2-CE2 3.69Å; T528-F639 HydrophobicContact CG2-CZ 4.44Å |
| 529 | V | 84.8 | Confident | 79.2 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 175 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | F525 V526 Y532 L533 F639 L642 I643 | F525-V529 WeakPolarHBondContact O-CG2 3.23Å; F525-V529 PolarHBondContact O-N 3.12Å; V526-V529 PolarHBondContact O-N 2.96Å; V529-Y532 WeakPolarHBondContact O-CB 3.4Å; V529-Y532 PolarHBondContact O-N 3.4Å; V529-L533 HydrophobicContact CG1-CD1 3.92Å; V529-L533 HydrophobicContact CG1-CG 4.32Å; V529-L533 WeakPolarHBondContact O-CB 3Å; V529-L533 VanDerWaalsContact O-CG 3.27Å; V529-L533 WeakPolarHBondContact O-CG 3.22Å; V529-L533 PolarHBondContact O-N 3.04Å; V529-F639 HydrophobicContact CB-CE2 4.35Å; V529-F639 HydrophobicContact CG2-CD2 3.65Å; V529-F639 HydrophobicContact CG2-CE2 3.43Å; V529-F639 VanDerWaalsContact CG2-CE2 3.43Å; V529-F639 HydrophobicContact CG2-CG 4.34Å; V529-F639 HydrophobicContact CG2-CZ 3.97Å; V529-L642 HydrophobicContact CG2-CB 3.99Å; V529-I643 HydrophobicContact CG1-CG1 4.33Å; V529-I643 HydrophobicContact CG2-CG1 4.39Å |
| 530 | L | 81.1 | Confident | 77.5 | Confident | 87 Ų | 87 | 61.5 Ų | 61.5 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 173.5 | -70.4 | 171 | 0 | 0 | 0 | 111.2 | V526 Y532 L533 D534 | V526-L530 HydrophobicContact CG1-CD1 4.05Å; V526-L530 HydrophobicContact CG1-CG 4.44Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å; V526-L530 PolarHBondContact O-N 2.84Å; L530-Y532 VanDerWaalsContact C-N 3.29Å; L530-Y532 PolarHBondContact O-N 3.44Å; L530-L533 PolarHBondContact O-N 3.37Å; L530-L533 VanDerWaalsContact O-N 3.14Å; L530-D534 PolarHBondContact O-N 2.95Å |
| 531 | G | 81.5 | Confident | 75.4 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K527 T528 H535 | K527-G531 PolarHBondContact O-N 2.88Å; T528-G531 PolarHBondContact O-N 3.48Å; G531-H535 WeakPolarHBondContact O-CB 3.16Å; G531-H535 PolarHBondContact O-CD2 3.18Å; G531-H535 PolarHBondContact O-N 3.39Å |
| 532 | Y | 83.3 | Confident | 73.2 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 172.4 | 175.8 | -107.3 | 0 | 0 | 0 | 111.9 | T528 V529 L530 H535 L536 V603 K604 Q607 F639 I643 | T528-Y532 VanDerWaalsContact O-CB 3.32Å; T528-Y532 WeakPolarHBondContact O-CB 3.45Å; T528-Y532 PolarHBondContact O-N 2.97Å; V529-Y532 WeakPolarHBondContact O-CB 3.4Å; V529-Y532 PolarHBondContact O-N 3.4Å; L530-Y532 VanDerWaalsContact C-N 3.29Å; L530-Y532 PolarHBondContact O-N 3.44Å; Y532-H535 PolarHBondContact O-N 3.49Å; Y532-L536 HydrophobicContact CD1-CD1 4.31Å; Y532-L536 HydrophobicContact CE1-CD1 3.72Å; Y532-L536 HydrophobicContact CE1-CG 4.32Å; Y532-L536 HydrophobicContact CE2-CD2 4.42Å; Y532-L536 WeakPolarHBondContact O-CG 3.47Å; Y532-L536 PolarHBondContact O-N 3.48Å; Y532-V603 HydrophobicContact CD2-CG1 4Å; Y532-V603 HydrophobicContact CE2-CG1 4.12Å; Y532-K604 HydrophobicContact CD2-CB 4.4Å; Y532-K604 HydrophobicContact CE2-CB 3.69Å; Y532-Q607 HydrophobicContact CD2-CG 4.5Å; Y532-F639 HydrophobicContact CD1-CE1 4.41Å; Y532-F639 HydrophobicContact CD1-CZ 4.29Å; Y532-F639 HydrophobicContact CG-CE1 4.45Å; Y532-F639 HydrophobicContact CG-CZ 4.05Å; Y532-I643 HydrophobicContact CD1-CD1 4.36Å; Y532-I643 HydrophobicContact CE1-CD1 4.07Å |
| 533 | L | 79.6 | Confident | 71.1 | Confident | 55 Ų | 55 | 75.8 Ų | 75.8 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 177.4 | -70.3 | 169.6 | 0 | 0 | 0 | 112.2 | V529 L530 L536 R537 P644 | V529-L533 HydrophobicContact CG1-CD1 3.92Å; V529-L533 HydrophobicContact CG1-CG 4.32Å; V529-L533 WeakPolarHBondContact O-CB 3Å; V529-L533 VanDerWaalsContact O-CG 3.27Å; V529-L533 WeakPolarHBondContact O-CG 3.22Å; V529-L533 PolarHBondContact O-N 3.04Å; L530-L533 PolarHBondContact O-N 3.37Å; L530-L533 VanDerWaalsContact O-N 3.14Å; L533-L536 WeakPolarHBondContact O-CB 3.48Å; L533-L536 PolarHBondContact O-N 3.06Å; L533-R537 WeakPolarHBondContact O-CB 3.05Å; L533-R537 PolarHBondContact O-N 2.82Å; L533-P644 HydrophobicContact CD1-CG 4.18Å |
| 534 | D | 75 | Confident | 68.9 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 173.6 | -80 | -30.9 | 0 | 0 | 0 | 111.5 | L530 L536 R537 Y538 | L530-D534 PolarHBondContact O-N 2.95Å; D534-L536 VanDerWaalsContact C-N 3.28Å; D534-L536 PolarHBondContact O-N 3.34Å; D534-R537 WeakPolarHBondContact O-CB 3.33Å; D534-R537 PolarHBondContact O-N 3.46Å; D534-Y538 HydrophobicContact CB-CD2 4.46Å; D534-Y538 HydrophobicContact CB-CE2 4.47Å; D534-Y538 WeakPolarHBondContact O-CD2 3.27Å; D534-Y538 PolarHBondContact O-N 3.38Å |
| 535 | H | 74.9 | Confident | 66.4 | Low | 100 Ų | 100 | 82.6 Ų | 82.6 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 171.6 | -85.8 | -63.6 | 0 | 0 | 0 | 113 | G531 Y532 S539 V603 | G531-H535 WeakPolarHBondContact O-CB 3.16Å; G531-H535 PolarHBondContact O-CD2 3.18Å; G531-H535 PolarHBondContact O-N 3.39Å; Y532-H535 PolarHBondContact O-N 3.49Å; H535-S539 WeakPolarHBondContact O-CB 3.33Å; H535-S539 PolarHBondContact O-N 3.29Å; H535-S539 PolarHBondContact O-OG 3.03Å; H535-V603 HydrophobicContact CB-CG1 4.01Å |
| 536 | L | 72.8 | Confident | 63.9 | Low | 36 Ų | 36 | 86.9 Ų | 86.9 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 169.3 | -63 | -176.6 | 0 | 0 | 0 | 111 | Y532 L533 D534 Y538 S539 Y540 P599 | Y532-L536 HydrophobicContact CD1-CD1 4.31Å; Y532-L536 HydrophobicContact CE1-CD1 3.72Å; Y532-L536 HydrophobicContact CE1-CG 4.32Å; Y532-L536 HydrophobicContact CE2-CD2 4.42Å; Y532-L536 WeakPolarHBondContact O-CG 3.47Å; Y532-L536 PolarHBondContact O-N 3.48Å; L533-L536 WeakPolarHBondContact O-CB 3.48Å; L533-L536 PolarHBondContact O-N 3.06Å; D534-L536 VanDerWaalsContact C-N 3.28Å; D534-L536 PolarHBondContact O-N 3.34Å; L536-Y538 PolarHBondContact O-N 3.29Å; L536-S539 WeakPolarHBondContact O-CA 3.17Å; L536-S539 WeakPolarHBondContact O-CB 3.47Å; L536-S539 PolarHBondContact O-N 3.15Å; L536-Y540 WeakPolarHBondContact O-CD2 3.48Å; L536-Y540 PolarHBondContact O-N 3.46Å; L536-P599 HydrophobicContact CD2-CB 3.71Å; L536-P599 HydrophobicContact CD2-CG 4.01Å |
| 537 | R | 65.3 | Low | 61.7 | Low | 180 Ų | 180 | 93.4 Ų | 93.4 | 68% | 0.679 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.6 | -46.2 | -178.9 | -165.6 | 177.5 | -172.6 | 173.6 | 3.1 | 112.5 | L533 D534 S539 Y540 | L533-R537 WeakPolarHBondContact O-CB 3.05Å; L533-R537 PolarHBondContact O-N 2.82Å; D534-R537 WeakPolarHBondContact O-CB 3.33Å; D534-R537 PolarHBondContact O-N 3.46Å; R537-S539 PolarHBondContact O-N 3.1Å; R537-Y540 PolarHBondContact O-N 2.91Å |
| 538 | Y | 58.3 | Low | 59.2 | Low | 197 Ų | 197 | 93.6 Ų | 93.6 | 77% | 0.773 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.8 | -19.3 | 174.7 | -76.3 | -67 | 0 | 0 | 0 | 113.7 | D534 L536 | D534-Y538 HydrophobicContact CB-CD2 4.46Å; D534-Y538 HydrophobicContact CB-CE2 4.47Å; D534-Y538 WeakPolarHBondContact O-CD2 3.27Å; D534-Y538 PolarHBondContact O-N 3.38Å; L536-Y538 PolarHBondContact O-N 3.29Å |
| 539 | S | 58.9 | Low | 56.6 | Low | 55 Ų | 55 | 98.8 Ų | 98.8 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.7 | -11.9 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | H535 L536 R537 | H535-S539 WeakPolarHBondContact O-CB 3.33Å; H535-S539 PolarHBondContact O-N 3.29Å; H535-S539 PolarHBondContact O-OG 3.03Å; L536-S539 WeakPolarHBondContact O-CA 3.17Å; L536-S539 WeakPolarHBondContact O-CB 3.47Å; L536-S539 PolarHBondContact O-N 3.15Å; R537-S539 PolarHBondContact O-N 3.1Å |
| 540 | Y | 49.7 | Very low | 54.2 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 22% | 0.216 | 54% | 0.544 | C | S | . | . | trans | -134.4 | 71.5 | -171.6 | -72.8 | -91.2 | 0 | 0 | 0 | 113.4 | L536 R537 Y542 S597 A598 | L536-Y540 WeakPolarHBondContact O-CD2 3.48Å; L536-Y540 PolarHBondContact O-N 3.46Å; R537-Y540 PolarHBondContact O-N 2.91Å; Y540-Y542 PolarHBondContact O-N 3.24Å; Y540-S597 WeakPolarHBondContact CE1-OG 3.29Å; Y540-S597 VanDerWaalsContact OH-C 3.24Å; Y540-S597 WeakPolarHBondContact OH-CB 3.48Å; Y540-S597 PolarHBondContact OH-O 2.78Å; Y540-S597 PolarHBondContact OH-OG 2.87Å; Y540-A598 PolarHBondContact OH-O 2.64Å | ||
| 541 | P | 40 | Very low | 51.9 | Low | 95 Ų | 95 | 107.8 Ų | 107.8 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 8.9 | -171.3 | 30.6 | -37.5 | 0 | 0 | 0 | 116.4 | ||
| 542 | Y | 40.7 | Very low | 49.4 | Very low | 213 Ų | 213 | 110.1 Ų | 110.1 | 84% | 0.835 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -0.6 | -173.5 | -83.3 | -81.1 | 0 | 0 | 0 | 115.6 | Y540 | Y540-Y542 PolarHBondContact O-N 3.24Š|
| 543 | I | 43 | Very low | 46.8 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 59% | 0.59 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -86.8 | -15.5 | -175.1 | -65.6 | 175.8 | 0 | 0 | 0 | 112.8 | H545 L596 | I543-H545 PolarHBondContact O-N 2.64Å; I543-L596 HydrophobicContact CD1-CD2 4.44Å |
| 544 | T | 33.8 | Very low | 44.6 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 58% | 0.583 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 9.5 | -170.9 | 38.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 545 | H | 34 | Very low | 42.4 | Very low | 178 Ų | 178 | 124.8 Ų | 124.8 | 82% | 0.824 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 12.6 | -178.6 | -85.5 | -66.9 | 0 | 0 | 0 | 115.3 | I543 | I543-H545 PolarHBondContact O-N 2.64Š|
| 546 | A | 35.7 | Very low | 40.4 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -112.9 | 5.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 547 | L | 35 | Very low | 38.6 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 89% | 0.885 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -126.9 | -26.5 | -177.3 | -75.3 | 169.1 | 0 | 0 | 0 | 114.7 | ||
| 548 | D | 31 | Very low | 36.9 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103.8 | 79.3 | -180 | -72.1 | -54.4 | 0 | 0 | 0 | 111.9 | N736 | D548-N736 VanDerWaalsContact CG-ND2 3.3Å; D548-N736 PolarHBondContact OD1-ND2 2.78Å; D548-N736 PolarHBondContact OD2-ND2 2.87Å |
| 549 | S | 29.9 | Very low | 35.6 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | trans | 166.5 | 110.8 | 143.8 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 550 | V | 34.3 | Very low | 34.3 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | trans | -142.1 | 109 | 151.7 | 175.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 551 | N | 32.5 | Very low | 33.5 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | 70.7 | 130.2 | 163.7 | -54.6 | -13.7 | 0 | 0 | 0 | 119.8 | ||||
| 552 | G | 30.4 | Very low | 33 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 160.2 | 34 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 553 | D | 28 | Very low | 32.6 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -50.2 | 145.8 | -173.9 | -53.6 | -69 | 0 | 0 | 0 | 116.8 | ||||
| 554 | Y | 32.5 | Very low | 32 | Very low | 215 Ų | 215 | 131.1 Ų | 131.1 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | 172.1 | 115.4 | 104.5 | -89.2 | -62.2 | 0 | 0 | 0 | 116 | |||||
| 555 | S | 29.4 | Very low | 31.8 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 47.4 | 110.2 | 138.2 | -58.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 556 | E | 33 | Very low | 31.5 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | -7.9 | 157.9 | 127.8 | -121.9 | -169.2 | -171.7 | 0 | 0 | 120.1 | |||||
| 557 | P | 34.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | -156.1 | 137.1 | 80.7 | 38.7 | -18.1 | 0 | 0 | 0 | 119.8 | |||||
| 558 | S | 30.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | 48.5 | 159.5 | 130.6 | 88.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 559 | S | 31.2 | Very low | 30.6 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | -169.9 | 173.3 | 29.1 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 560 | K | 32.3 | Very low | 30.6 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 88 | 136.1 | 164 | -58.2 | 176.4 | -175.8 | 175.6 | 0 | 116.9 | ||||
| 561 | I | 31.8 | Very low | 30.2 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | cis | -149 | 156.5 | -2.5 | -116.1 | 161.2 | 0 | 0 | 0 | 110.7 | ||||
| 562 | N | 28.7 | Very low | 29.9 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | -88.8 | -179.6 | -177.9 | -130.5 | 7.5 | 0 | 0 | 0 | 111.5 | ||||
| 563 | P | 33.9 | Very low | 30 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | cis | -156.4 | 170.1 | 48.9 | 44.8 | -22.8 | 0 | 0 | 0 | 120.5 | ||||
| 564 | D | 30 | Very low | 30.1 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 59.3 | 154.4 | 138.7 | -63.9 | 1.3 | 0 | 0 | 0 | 123.5 | ||||
| 565 | L | 30.3 | Very low | 30 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | cis | -162.9 | 157.5 | -18.5 | -106 | 170.7 | 0 | 0 | 0 | 112.1 | ||||
| 566 | L | 27.1 | Very low | 30.3 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | trans | 10.2 | 138.6 | 154.4 | -69 | 171.7 | 0 | 0 | 0 | 124.3 | ||||
| 567 | T | 26.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | 37 | 147.7 | 135.7 | 70.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 568 | S | 27.4 | Very low | 30 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | cis | -175.4 | 135.7 | 43.1 | -152.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 569 | R | 27.4 | Very low | 29.9 | Very low | 222 Ų | 222 | 135.1 Ų | 135.1 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | 27 | 129.2 | 132.1 | -173.1 | -164.7 | -64 | -172.5 | -1.2 | 121.6 | ||||
| 570 | K | 30.6 | Very low | 29.6 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 169.9 | 153.4 | 135.3 | -97.9 | 172.6 | -179 | -179.9 | 0 | 111.3 | ||||
| 571 | L | 25.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | cis | -164.9 | 151.8 | -12.8 | -169.4 | 67.2 | 0 | 0 | 0 | 111.5 | ||||
| 572 | S | 26.4 | Very low | 29.5 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 68.9 | 157.1 | 157.4 | 72 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 573 | T | 32.1 | Very low | 29.5 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | cis | -140.7 | 139.9 | 11.9 | 39.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 574 | F | 29.9 | Very low | 29.2 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | trans | 58.7 | 148.4 | 146.7 | -77.6 | -109.1 | 0 | 0 | 0 | 118.7 | ||||
| 575 | D | 31.1 | Very low | 29.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 58% | 0.583 | 74% | 0.741 | S | S | * | * | cis | -172.6 | 168.1 | -15.5 | -139.5 | 8.7 | 0 | 0 | 0 | 105.4 | ||||
| 576 | Q | 35.1 | Very low | 29.5 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | cis | -148.5 | 151.9 | 10.9 | -92.5 | -153.4 | 11.8 | 0 | 0 | 113.4 | ||||
| 577 | N | 31.2 | Very low | 29.8 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | 26.3 | 148 | 118.2 | -46.3 | -37.9 | 0 | 0 | 0 | 120.7 | |||||
| 578 | L | 30.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | cis | -159.9 | 163.4 | -4.5 | -137.5 | 66.6 | 0 | 0 | 0 | 107.1 | ||||
| 579 | G | 28.6 | Very low | 29.9 | Very low | 63 Ų | 63 | 136.4 Ų | 136.4 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | -170.4 | 172.7 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 580 | V | 25.4 | Very low | 29.9 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -137.1 | 135.4 | -173 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 581 | Q | 30 | Very low | 29.8 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -156.3 | 143.1 | 160.5 | -73.6 | -155.6 | 5.4 | 0 | 0 | 109.2 | ||||
| 582 | T | 31.7 | Very low | 30 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | -155.2 | 166.7 | -6.4 | 6.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 583 | A | 29.2 | Very low | 30.3 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -70.3 | 171.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 584 | S | 26.1 | Very low | 30.2 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | cis | 179.2 | 158.1 | -19.7 | 55 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 585 | S | 28.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 67.9 | 166.3 | 152 | -85.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 586 | P | 40.1 | Very low | 30.7 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | cis | -139.2 | 146.4 | -32.2 | 34.7 | -17.9 | 0 | 0 | 0 | 115.1 | ||||
| 587 | Y | 31.8 | Very low | 31.1 | Very low | 229 Ų | 229 | 137 Ų | 137 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | -170.5 | 173.8 | 124.6 | -126 | -102 | 0 | 0 | 0 | 112.3 | |||||
| 588 | V | 27.8 | Very low | 32 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -92.3 | 142.9 | -160.6 | -178.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 589 | S | 28.8 | Very low | 33.3 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -153.1 | 143.5 | 149.8 | -85.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 590 | I | 28.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | trans | -88.2 | 112.6 | -173.2 | -62.1 | 166.7 | 0 | 0 | 0 | 109.4 | ||||
| 591 | N | 28.2 | Very low | 36.6 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -167.5 | 89 | 167.4 | -106.4 | -42.3 | 0 | 0 | 0 | 112.2 | ||||
| 592 | Q | 30 | Very low | 38.6 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | -138.7 | 35.3 | 172.2 | -77.9 | -158.5 | -8.4 | 0 | 0 | 115 | K594 | Q592-K594 VanDerWaalsContact C-N 3.28Å; Q592-K594 PolarHBondContact O-N 3.11Å | ||
| 593 | T | 31.4 | Very low | 40.9 | Very low | 135 Ų | 135 | 124 Ų | 124 | 83% | 0.828 | 68% | 0.682 | S | S | * | * | trans | -88.3 | 61.6 | 164.1 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 594 | K | 30.5 | Very low | 43.4 | Very low | 189 Ų | 189 | 122.2 Ų | 122.2 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | trans | -151.1 | 27.9 | -179.1 | -137.1 | 170.2 | -171.9 | 173.3 | 0 | 116.9 | Q592 | Q592-K594 VanDerWaalsContact C-N 3.28Å; Q592-K594 PolarHBondContact O-N 3.11Å | ||
| 595 | Y | 33.2 | Very low | 46.1 | Very low | 208 Ų | 208 | 122.7 Ų | 122.7 | 82% | 0.816 | 65% | 0.648 | S | S | * | * | trans | -131.7 | 72.4 | 171 | -80.3 | -75.5 | 0 | 0 | 0 | 112.6 | ||||
| 596 | L | 39.4 | Very low | 48.8 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 67% | 0.665 | 64% | 0.638 | S | S | * | * | trans | -92.5 | 106 | 144.2 | -72 | 172.4 | 0 | 0 | 0 | 106.3 | I543 | I543-L596 HydrophobicContact CD1-CD2 4.44Š| ||
| 597 | S | 42.8 | Very low | 50.8 | Low | 75 Ų | 75 | 118.5 Ų | 118.5 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 159.2 | 164.7 | 33 | 0 | 0 | 0 | 0 | 109.7 | Y540 | Y540-S597 WeakPolarHBondContact CE1-OG 3.29Å; Y540-S597 VanDerWaalsContact OH-C 3.24Å; Y540-S597 WeakPolarHBondContact OH-CB 3.48Å; Y540-S597 PolarHBondContact OH-O 2.78Å; Y540-S597 PolarHBondContact OH-OG 2.87Å |
| 598 | A | 50.9 | Low | 53.4 | Low | 84 Ų | 84 | 108 Ų | 108 | 69% | 0.694 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 146.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y540 | Y540-A598 PolarHBondContact OH-O 2.64Š|
| 599 | P | 56.8 | Low | 56.2 | Low | 63 Ų | 63 | 106.2 Ų | 106.2 | 41% | 0.409 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -47.1 | 146.2 | 168.9 | -32.1 | 37.8 | 0 | 0 | 0 | 112.9 | L536 R601 | L536-P599 HydrophobicContact CD2-CB 3.71Å; L536-P599 HydrophobicContact CD2-CG 4.01Å; P599-R601 PolarHBondContact O-N 3.1Å |
| 600 | P | 62.1 | Low | 59 | Low | 57 Ų | 57 | 105.8 Ų | 105.8 | 37% | 0.37 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 123.5 | 178.6 | -19.1 | 30.3 | 0 | 0 | 0 | 110.7 | G602 V603 | P600-G602 PolarHBondContact O-N 3.21Å; P600-V603 HydrophobicContact CB-CG2 3.83Å; P600-V603 HydrophobicContact CG-CG2 4.33Å; P600-V603 WeakPolarHBondContact O-CG2 3.31Å; P600-V603 PolarHBondContact O-N 2.85Å |
| 601 | R | 60.4 | Low | 61.8 | Low | 251 Ų | 251 | 98.2 Ų | 98.2 | 95% | 0.947 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 133.8 | 179 | -72.9 | -175 | 174.4 | -170.1 | -0.2 | 110 | P599 | P599-R601 PolarHBondContact O-N 3.1Š|
| 602 | G | 73.4 | Confident | 64.7 | Low | 26 Ų | 26 | 91.8 Ų | 91.8 | 27% | 0.268 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | -24.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P600 K604 E605 T606 | P600-G602 PolarHBondContact O-N 3.21Å; G602-K604 PolarHBondContact O-N 3.16Å; G602-E605 WeakPolarHBondContact CA-OE2 3.32Å; G602-E605 PolarHBondContact N-OE2 3.01Å; G602-E605 PolarHBondContact O-N 3.25Å; G602-E605 VanDerWaalsContact O-N 3.16Å; G602-T606 PolarHBondContact O-N 3.25Å; G602-T606 PolarHBondContact O-OG1 3.45Å; G602-T606 VanDerWaalsContact O-OG1 3.08Å |
| 603 | V | 78.7 | Confident | 67.4 | Low | 35 Ų | 35 | 88.7 Ų | 88.7 | 21% | 0.212 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | -174.9 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | Y532 H535 P600 Q607 | Y532-V603 HydrophobicContact CD2-CG1 4Å; Y532-V603 HydrophobicContact CE2-CG1 4.12Å; H535-V603 HydrophobicContact CB-CG1 4.01Å; P600-V603 HydrophobicContact CB-CG2 3.83Å; P600-V603 HydrophobicContact CG-CG2 4.33Å; P600-V603 WeakPolarHBondContact O-CG2 3.31Å; P600-V603 PolarHBondContact O-N 2.85Å; V603-Q607 VanDerWaalsContact O-CG 3.25Å; V603-Q607 WeakPolarHBondContact O-CG 3.47Å; V603-Q607 PolarHBondContact O-N 3.38Å |
| 604 | K | 81.9 | Confident | 70 | Confident | 53 Ų | 53 | 85.4 Ų | 85.4 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 174.9 | 175.6 | 171.7 | 167 | 174.9 | 0 | 111 | Y532 G602 Q607 I608 F639 D640 | Y532-K604 HydrophobicContact CD2-CB 4.4Å; Y532-K604 HydrophobicContact CE2-CB 3.69Å; G602-K604 PolarHBondContact O-N 3.16Å; K604-Q607 PolarHBondContact O-N 2.89Å; K604-I608 HydrophobicContact CD-CD1 4.43Å; K604-I608 HydrophobicContact CG-CD1 3.74Å; K604-I608 HydrophobicContact CG-CG1 4.5Å; K604-I608 WeakPolarHBondContact O-CB 3.37Å; K604-I608 WeakPolarHBondContact O-CG1 3.22Å; K604-I608 PolarHBondContact O-N 3.35Å; K604-F639 HydrophobicContact CG-CE1 4.16Å; K604-D640 WeakPolarHBondContact CE-OD1 3.15Å; K604-D640 IonicContact NZ-OD1 2.59Å; K604-D640 PolarHBondContact NZ-OD1 3.15Å; K604-D640 IonicContact NZ-OD2 2.7Å; K604-D640 PolarHBondContact NZ-OD2 3.17Å |
| 605 | E | 83.7 | Confident | 72.8 | Confident | 111 Ų | 111 | 76.6 Ų | 76.6 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | -179.6 | -63.9 | 83 | 170.4 | 0 | 0 | 112.2 | G602 I608 T609 | G602-E605 WeakPolarHBondContact CA-OE2 3.32Å; G602-E605 PolarHBondContact N-OE2 3.01Å; G602-E605 PolarHBondContact O-N 3.25Å; G602-E605 VanDerWaalsContact O-N 3.16Å; E605-I608 PolarHBondContact O-N 2.75Å; E605-T609 WeakPolarHBondContact O-CB 3.49Å; E605-T609 PolarHBondContact O-N 2.95Å; E605-T609 PolarHBondContact O-OG1 3.48Å |
| 606 | T | 84.3 | Confident | 75.5 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 58% | 0.577 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.4 | -46.1 | 173.5 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | G602 I608 T609 W610 | G602-T606 PolarHBondContact O-N 3.25Å; G602-T606 PolarHBondContact O-OG1 3.45Å; G602-T606 VanDerWaalsContact O-OG1 3.08Å; T606-I608 PolarHBondContact O-N 3.04Å; T606-T609 WeakPolarHBondContact O-CB 3.49Å; T606-T609 PolarHBondContact O-N 2.92Å; T606-W610 PolarHBondContact O-N 3.31Å |
| 607 | Q | 83.1 | Confident | 77.6 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 16% | 0.159 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 179 | -69 | -64.5 | -8.3 | 0 | 0 | 112.1 | T528 Y532 V603 K604 W610 L611 | T528-Q607 HydrophobicContact CG2-CB 3.67Å; T528-Q607 HydrophobicContact CG2-CG 4.36Å; Y532-Q607 HydrophobicContact CD2-CG 4.5Å; V603-Q607 VanDerWaalsContact O-CG 3.25Å; V603-Q607 WeakPolarHBondContact O-CG 3.47Å; V603-Q607 PolarHBondContact O-N 3.38Å; K604-Q607 PolarHBondContact O-N 2.89Å; Q607-W610 PolarHBondContact O-N 2.86Å; Q607-L611 PolarHBondContact O-N 2.95Å |
| 608 | I | 86.1 | Confident | 79.9 | Confident | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.2 | -31.8 | 173.5 | -70.8 | 172.6 | 0 | 0 | 0 | 112.2 | K604 E605 T606 S612 Q632 I635 T636 F639 | K604-I608 HydrophobicContact CD-CD1 4.43Å; K604-I608 HydrophobicContact CG-CD1 3.74Å; K604-I608 HydrophobicContact CG-CG1 4.5Å; K604-I608 WeakPolarHBondContact O-CB 3.37Å; K604-I608 WeakPolarHBondContact O-CG1 3.22Å; K604-I608 PolarHBondContact O-N 3.35Å; E605-I608 PolarHBondContact O-N 2.75Å; T606-I608 PolarHBondContact O-N 3.04Å; I608-S612 WeakPolarHBondContact O-CB 3.35Å; I608-S612 PolarHBondContact O-N 2.91Å; I608-S612 PolarHBondContact O-OG 3.21Å; I608-Q632 VanDerWaalsContact CG2-NE2 3.27Å; I608-I635 HydrophobicContact CG2-CG2 4.15Å; I608-T636 HydrophobicContact CD1-CG2 3.98Å; I608-F639 HydrophobicContact CD1-CD1 3.99Å; I608-F639 HydrophobicContact CD1-CE1 4.48Å; I608-F639 HydrophobicContact CD1-CG 4.41Å; I608-F639 HydrophobicContact CG1-CD1 4.09Å; I608-F639 HydrophobicContact CG1-CE1 4.43Å; I608-F639 HydrophobicContact CG1-CG 4.17Å |
| 609 | T | 86.6 | Confident | 81.5 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 173.6 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | E605 T606 L611 S612 E613 | E605-T609 WeakPolarHBondContact O-CB 3.49Å; E605-T609 PolarHBondContact O-N 2.95Å; E605-T609 PolarHBondContact O-OG1 3.48Å; T606-T609 WeakPolarHBondContact O-CB 3.49Å; T606-T609 PolarHBondContact O-N 2.92Å; T609-L611 PolarHBondContact O-N 3.22Å; T609-S612 CarbonylContact O-C 3.6Å; T609-S612 WeakPolarHBondContact O-CA 3.41Å; T609-S612 WeakPolarHBondContact O-CB 3.43Å; T609-S612 PolarHBondContact O-N 2.97Å; T609-E613 PolarHBondContact O-N 2.81Å |
| 610 | W | 87.6 | Confident | 83 | Confident | 108 Ų | 108 | 73 Ų | 73 | 41% | 0.409 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.9 | -177.5 | 83.3 | 0 | 0 | 0 | 112.7 | I524 T528 T606 Q607 S612 E613 Q614 | I524-W610 HydrophobicContact CG2-CH2 4Å; I524-W610 HydrophobicContact CG2-CZ3 3.64Å; T528-W610 VanDerWaalsContact OG1-CZ3 3.27Å; T528-W610 WeakPolarHBondContact OG1-CZ3 3.43Å; T606-W610 PolarHBondContact O-N 3.31Å; Q607-W610 PolarHBondContact O-N 2.86Å; W610-S612 VanDerWaalsContact C-N 3.3Å; W610-S612 PolarHBondContact O-N 3.45Å; W610-E613 WeakPolarHBondContact O-CB 3.35Å; W610-E613 PolarHBondContact O-N 3.37Å; W610-Q614 HydrophobicContact CD2-CG 4.13Å; W610-Q614 HydrophobicContact CE3-CG 4.13Å; W610-Q614 HydrophobicContact CH2-CG 3.8Å; W610-Q614 HydrophobicContact CZ2-CG 3.78Å; W610-Q614 HydrophobicContact CZ3-CG 3.96Å; W610-Q614 WeakPolarHBondContact O-CG 3.24Å; W610-Q614 PolarHBondContact O-N 3.19Å |
| 611 | L | 86.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 170.6 | -85.2 | 165.6 | 0 | 0 | 0 | 111.9 | I524 F525 T528 Q607 T609 E613 Q614 L615 F639 | I524-L611 HydrophobicContact CB-CD2 4.4Å; I524-L611 HydrophobicContact CG2-CD2 3.71Å; F525-L611 HydrophobicContact CD1-CD1 3.76Å; F525-L611 HydrophobicContact CD1-CD2 4.15Å; F525-L611 HydrophobicContact CD2-CD2 4.16Å; F525-L611 HydrophobicContact CE1-CD1 3.78Å; F525-L611 HydrophobicContact CE1-CD2 4.28Å; F525-L611 HydrophobicContact CE2-CD2 4.28Å; F525-L611 HydrophobicContact CG-CD1 4.46Å; F525-L611 HydrophobicContact CG-CD2 4.08Å; F525-L611 HydrophobicContact CZ-CD1 4.49Å; F525-L611 HydrophobicContact CZ-CD2 4.33Å; T528-L611 HydrophobicContact CG2-CD1 3.67Å; T528-L611 HydrophobicContact CG2-CG 3.85Å; T528-L611 WeakPolarHBondContact OG1-CD2 3.28Å; Q607-L611 PolarHBondContact O-N 2.95Å; T609-L611 PolarHBondContact O-N 3.22Å; L611-E613 VanDerWaalsContact C-N 3.29Å; L611-E613 PolarHBondContact O-N 3.27Å; L611-Q614 PolarHBondContact O-N 3.47Å; L611-L615 WeakPolarHBondContact O-CB 3.46Å; L611-L615 VanDerWaalsContact O-CG 3.3Å; L611-L615 WeakPolarHBondContact O-CG 3.3Å; L611-L615 PolarHBondContact O-N 3.03Å; L611-F639 HydrophobicContact CD1-CD2 3.58Å; L611-F639 HydrophobicContact CD1-CE2 4.04Å; L611-F639 HydrophobicContact CD1-CG 4.47Å |
| 612 | S | 88.2 | Confident | 85.8 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -33 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | I608 T609 W610 S616 | I608-S612 WeakPolarHBondContact O-CB 3.35Å; I608-S612 PolarHBondContact O-N 2.91Å; I608-S612 PolarHBondContact O-OG 3.21Å; T609-S612 CarbonylContact O-C 3.6Å; T609-S612 WeakPolarHBondContact O-CA 3.41Å; T609-S612 WeakPolarHBondContact O-CB 3.43Å; T609-S612 PolarHBondContact O-N 2.97Å; W610-S612 VanDerWaalsContact C-N 3.3Å; W610-S612 PolarHBondContact O-N 3.45Å; S612-S616 WeakPolarHBondContact O-CB 3.47Å; S612-S616 PolarHBondContact O-N 3.38Å |
| 613 | E | 87.4 | Confident | 86.4 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 171.1 | -70.5 | 177.1 | 179.3 | 0 | 0 | 112.4 | T609 W610 L611 S616 | T609-E613 PolarHBondContact O-N 2.81Å; W610-E613 WeakPolarHBondContact O-CB 3.35Å; W610-E613 PolarHBondContact O-N 3.37Å; L611-E613 VanDerWaalsContact C-N 3.29Å; L611-E613 PolarHBondContact O-N 3.27Å; E613-S616 WeakPolarHBondContact O-CB 3.28Å; E613-S616 PolarHBondContact O-N 2.8Å; E613-S616 PolarHBondContact O-OG 3.43Å |
| 614 | Q | 86.7 | Confident | 86.8 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 176.8 | -59.7 | -38.4 | -62.4 | 0 | 0 | 111.7 | I524 W610 L611 S616 | I524-Q614 HydrophobicContact CD1-CB 4.49Å; I524-Q614 HydrophobicContact CG2-CG 4.45Å; W610-Q614 HydrophobicContact CD2-CG 4.13Å; W610-Q614 HydrophobicContact CE3-CG 4.13Å; W610-Q614 HydrophobicContact CH2-CG 3.8Å; W610-Q614 HydrophobicContact CZ2-CG 3.78Å; W610-Q614 HydrophobicContact CZ3-CG 3.96Å; W610-Q614 WeakPolarHBondContact O-CG 3.24Å; W610-Q614 PolarHBondContact O-N 3.19Å; L611-Q614 PolarHBondContact O-N 3.47Å; Q614-S616 VanDerWaalsContact C-N 3.26Å; Q614-S616 PolarHBondContact O-N 3.12Å |
| 615 | L | 89.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.5 | -19 | 178.6 | -63.6 | 173.4 | 0 | 0 | 0 | 113.3 | L517 L518 Q521 F525 L611 R617 D618 Y621 I635 | L517-L615 HydrophobicContact CD1-CD2 4.07Å; L517-L615 HydrophobicContact CD2-CD2 4.45Å; L517-L615 HydrophobicContact CG-CD2 4.15Å; L518-L615 HydrophobicContact CD2-CD1 3.88Å; Q521-L615 HydrophobicContact CB-CD2 3.89Å; Q521-L615 HydrophobicContact CG-CD2 3.77Å; F525-L615 HydrophobicContact CE2-CD1 4.02Å; F525-L615 HydrophobicContact CZ-CD1 3.99Å; L611-L615 WeakPolarHBondContact O-CB 3.46Å; L611-L615 VanDerWaalsContact O-CG 3.3Å; L611-L615 WeakPolarHBondContact O-CG 3.3Å; L611-L615 PolarHBondContact O-N 3.03Å; L615-R617 PolarHBondContact O-N 3.44Å; L615-D618 PolarHBondContact O-N 3.43Å; L615-D618 VanDerWaalsContact O-N 3.12Å; L615-Y621 HydrophobicContact CB-CD2 3.59Å; L615-Y621 HydrophobicContact CB-CE2 4.05Å; L615-Y621 HydrophobicContact CB-CG 4.39Å; L615-Y621 WeakPolarHBondContact O-CB 3.23Å; L615-I635 HydrophobicContact CD1-CD1 4.31Å; L615-I635 HydrophobicContact CD1-CG1 4.27Å |
| 616 | S | 89.2 | Confident | 87.4 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.8 | -175.6 | 72.7 | 0 | 0 | 0 | 0 | 115.5 | S612 E613 Q614 Q622 | S612-S616 WeakPolarHBondContact O-CB 3.47Å; S612-S616 PolarHBondContact O-N 3.38Å; E613-S616 WeakPolarHBondContact O-CB 3.28Å; E613-S616 PolarHBondContact O-N 2.8Å; E613-S616 PolarHBondContact O-OG 3.43Å; Q614-S616 VanDerWaalsContact C-N 3.26Å; Q614-S616 PolarHBondContact O-N 3.12Å; S616-Q622 PolarHBondContact O-NE2 3.41Å |
| 617 | R | 84.3 | Confident | 87.8 | Confident | 211 Ų | 211 | 58.6 Ų | 58.6 | 80% | 0.796 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -9 | 179.3 | -64.8 | -178 | 179.9 | 151.2 | 3.5 | 114.4 | L615 | L615-R617 PolarHBondContact O-N 3.44Š|
| 618 | D | 90.6 | Very high | 88.1 | Confident | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -90.5 | 133.5 | 178.6 | -170.5 | -72.8 | 0 | 0 | 0 | 110.8 | L517 L615 R620 Y621 Q622 | L517-D618 HydrophobicContact CD1-CB 3.86Å; L517-D618 WeakPolarHBondContact CD1-OD2 3.16Å; L517-D618 HydrophobicContact CD2-CB 3.85Å; L615-D618 PolarHBondContact O-N 3.43Å; L615-D618 VanDerWaalsContact O-N 3.12Å; D618-R620 PolarHBondContact O-N 3.44Å; D618-R620 VanDerWaalsContact O-N 3.12Å; D618-R620 WeakPolarHBondContact OD1-CB 3.5Å; D618-R620 WeakPolarHBondContact OD1-CG 3.38Å; D618-R620 IonicContact OD1-CZ 2.68Å; D618-R620 PolarHBondContact OD1-N 3.23Å; D618-R620 IonicContact OD1-NE 2.94Å; D618-R620 PolarHBondContact OD1-NE 3.36Å; D618-R620 IonicContact OD1-NH2 2.6Å; D618-R620 IonicContact OD2-CZ 2.94Å; D618-R620 IonicContact OD2-NE 2.6Å; D618-R620 PolarHBondContact OD2-NE 3.14Å; D618-R620 IonicContact OD2-NH2 2.88Å; D618-R620 PolarHBondContact OD2-NH2 3.47Å; D618-Y621 WeakPolarHBondContact O-CB 3.41Å; D618-Y621 PolarHBondContact O-N 3.34Å; D618-Q622 PolarHBondContact O-N 3.33Å |
| 619 | D | 84.1 | Confident | 88.3 | Confident | 135 Ų | 135 | 62.5 Ų | 62.5 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.6 | -27.2 | -178.3 | -66 | -41.9 | 0 | 0 | 0 | 112.7 | Q622 A623 | D619-Q622 PolarHBondContact O-N 3.4Å; D619-A623 WeakPolarHBondContact O-CB 3.36Å; D619-A623 PolarHBondContact O-N 3.29Å |
| 620 | R | 88.2 | Confident | 88.6 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 21% | 0.211 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.4 | -31.1 | 176.7 | -57.5 | 166.8 | -73.8 | -178.1 | -6.7 | 111.8 | D513 L517 E520 D618 | D513-R620 HydrophobicContact CB-CG 4.18Å; D513-R620 WeakPolarHBondContact O-CD 2.78Å; L517-R620 HydrophobicContact CB-CB 4.49Å; L517-R620 HydrophobicContact CD2-CB 4.25Å; E520-R620 IonicContact OE1-NH1 3.22Å; E520-R620 PolarHBondContact OE1-NH1 2.87Å; E520-R620 IonicContact OE2-CZ 2.76Å; E520-R620 IonicContact OE2-NH1 3.75Å; E520-R620 PolarHBondContact OE2-NH1 2.74Å; E520-R620 IonicContact OE2-NH2 2.81Å; E520-R620 PolarHBondContact OE2-NH2 3.17Å; D618-R620 PolarHBondContact O-N 3.44Å; D618-R620 VanDerWaalsContact O-N 3.12Å; D618-R620 WeakPolarHBondContact OD1-CB 3.5Å; D618-R620 WeakPolarHBondContact OD1-CG 3.38Å; D618-R620 IonicContact OD1-CZ 2.68Å; D618-R620 PolarHBondContact OD1-N 3.23Å; D618-R620 IonicContact OD1-NE 2.94Å; D618-R620 PolarHBondContact OD1-NE 3.36Å; D618-R620 IonicContact OD1-NH2 2.6Å; D618-R620 IonicContact OD2-CZ 2.94Å; D618-R620 IonicContact OD2-NE 2.6Å; D618-R620 PolarHBondContact OD2-NE 3.14Å; D618-R620 IonicContact OD2-NH2 2.88Å; D618-R620 PolarHBondContact OD2-NH2 3.47Å |
| 621 | Y | 91.7 | Very high | 88.8 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 170.3 | -176.8 | -77.7 | 0 | 0 | 0 | 110.9 | F514 L615 D618 M624 R631 I635 | F514-Y621 AromaticContact CE2-CD2 3.83Å; F514-Y621 HydrophobicContact CE2-CD2 3.83Å; F514-Y621 HydrophobicContact CE2-CG 4.32Å; F514-Y621 HydrophobicContact CZ-CD2 4.34Å; L615-Y621 HydrophobicContact CB-CD2 3.59Å; L615-Y621 HydrophobicContact CB-CE2 4.05Å; L615-Y621 HydrophobicContact CB-CG 4.39Å; L615-Y621 WeakPolarHBondContact O-CB 3.23Å; D618-Y621 WeakPolarHBondContact O-CB 3.41Å; D618-Y621 PolarHBondContact O-N 3.34Å; Y621-M624 PolarHBondContact O-N 3.36Å; Y621-R631 HydrophobicContact CD2-CG 4.42Å; Y621-R631 HydrophobicContact CE2-CG 4.24Å; Y621-R631 PolarHBondContact O-NH1 2.99Å; Y621-I635 HydrophobicContact CE2-CD1 3.85Å |
| 622 | Q | 88.9 | Confident | 89 | Confident | 98 Ų | 98 | 61 Ų | 61 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.2 | -36.2 | 178.2 | -64.7 | -63.3 | -9.2 | 0 | 0 | 112.6 | S616 D618 D619 M624 A625 | S616-Q622 PolarHBondContact O-NE2 3.41Å; D618-Q622 PolarHBondContact O-N 3.33Å; D619-Q622 PolarHBondContact O-N 3.4Å; Q622-M624 PolarHBondContact O-N 3.18Å; Q622-M624 VanDerWaalsContact O-N 3.15Å; Q622-A625 WeakPolarHBondContact O-CB 3.46Å; Q622-A625 PolarHBondContact O-N 3.14Å |
| 623 | A | 86 | Confident | 89.2 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -29.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P471 V510 D619 A625 | P471-A623 VanDerWaalsContact CD-O 3.26Å; P471-A623 WeakPolarHBondContact CD-O 3.37Å; P471-A623 WeakPolarHBondContact CG-O 2.94Å; V510-A623 HydrophobicContact CG1-CB 3.57Å; V510-A623 HydrophobicContact CG2-CB 4.35Å; D619-A623 WeakPolarHBondContact O-CB 3.36Å; D619-A623 PolarHBondContact O-N 3.29Å; A623-A625 PolarHBondContact O-N 2.97Å |
| 624 | M | 88.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 16.7 | 171.8 | -70.2 | -158 | 81.7 | 0 | 0 | 114.8 | V510 F514 Y621 Q622 Y626 L627 E630 R631 | V510-M624 HydrophobicContact CG1-CG 3.8Å; F514-M624 HydrophobicContact CB-CG 4.25Å; F514-M624 HydrophobicContact CB-SD 3.65Å; F514-M624 HydrophobicContact CD1-SD 3.55Å; F514-M624 VanDerWaalsContact CD1-SD 3.55Å; F514-M624 HydrophobicContact CD2-CG 4.32Å; F514-M624 HydrophobicContact CD2-SD 3.87Å; F514-M624 HydrophobicContact CE1-SD 4.21Å; F514-M624 HydrophobicContact CE2-SD 4.49Å; F514-M624 HydrophobicContact CG-CG 4.24Å; F514-M624 HydrophobicContact CG-SD 3.37Å; F514-M624 WeakPolarHBondContact CG-SD 3.32Å; Y621-M624 PolarHBondContact O-N 3.36Å; Q622-M624 PolarHBondContact O-N 3.18Å; Q622-M624 VanDerWaalsContact O-N 3.15Å; M624-Y626 VanDerWaalsContact C-N 3.33Å; M624-Y626 PolarHBondContact O-N 2.95Å; M624-L627 HydrophobicContact CE-CB 3.84Å; M624-L627 HydrophobicContact CE-CD1 4.17Å; M624-L627 CarbonylContact O-C 3.48Å; M624-L627 WeakPolarHBondContact O-CA 3.44Å; M624-L627 PolarHBondContact O-N 2.78Å; M624-E630 HydrophobicContact CE-CB 4.01Å; M624-E630 HydrophobicContact CE-CG 3.97Å; M624-R631 HydrophobicContact CB-CB 4.17Å; M624-R631 HydrophobicContact CB-CG 4.33Å; M624-R631 HydrophobicContact CE-CB 4.16Å; M624-R631 PolarHBondContact O-NH1 3.16Å; M624-R631 HydrophobicContact SD-CB 3.97Å; M624-R631 HydrophobicContact SD-CG 4.25Å |
| 625 | A | 87.6 | Confident | 89.6 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -42.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L470 Q622 A623 L627 | L470-A625 HydrophobicContact CD1-CB 4.31Å; Q622-A625 WeakPolarHBondContact O-CB 3.46Å; Q622-A625 PolarHBondContact O-N 3.14Å; A623-A625 PolarHBondContact O-N 2.97Å; A625-L627 VanDerWaalsContact C-N 3.27Å; A625-L627 PolarHBondContact O-N 2.81Å |
| 626 | Y | 90.1 | Very high | 89.6 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.2 | 177.4 | -80.6 | -94 | 0 | 0 | 0 | 113.7 | L470 P471 Q473 D477 M624 P628 | L470-Y626 HydrophobicContact CB-CD2 3.77Å; L470-Y626 HydrophobicContact CB-CE2 4.17Å; L470-Y626 HydrophobicContact CD1-CD2 4.01Å; L470-Y626 HydrophobicContact CD1-CE2 4.14Å; P471-Y626 WeakPolarHBondContact O-CB 3.17Å; Q473-Y626 HydrophobicContact CB-CD1 4.31Å; Q473-Y626 HydrophobicContact CB-CD2 4.2Å; Q473-Y626 HydrophobicContact CB-CE1 4.17Å; Q473-Y626 HydrophobicContact CB-CE2 4.07Å; Q473-Y626 HydrophobicContact CB-CG 4.31Å; Q473-Y626 HydrophobicContact CG-CE1 4.04Å; Q473-Y626 HydrophobicContact CG-CE2 4.05Å; D477-Y626 PolarHBondContact OD2-OH 2.95Å; M624-Y626 VanDerWaalsContact C-N 3.33Å; M624-Y626 PolarHBondContact O-N 2.95Å; Y626-P628 WeakPolarHBondContact O-CD 3.41Å |
| 627 | L | 91.8 | Very high | 89.5 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | trans | -120.2 | 44.8 | -178 | -62.7 | 173.1 | 0 | 0 | 0 | 113.5 | P471 H507 M624 A625 S629 E630 R631 | P471-L627 HydrophobicContact CB-CD1 3.93Å; P471-L627 HydrophobicContact CG-CD1 4.2Å; H507-L627 WeakPolarHBondContact CD2-CD1 3.3Å; M624-L627 HydrophobicContact CE-CB 3.84Å; M624-L627 HydrophobicContact CE-CD1 4.17Å; M624-L627 CarbonylContact O-C 3.48Å; M624-L627 WeakPolarHBondContact O-CA 3.44Å; M624-L627 PolarHBondContact O-N 2.78Å; A625-L627 VanDerWaalsContact C-N 3.27Å; A625-L627 PolarHBondContact O-N 2.81Å; L627-S629 VanDerWaalsContact C-N 3.32Å; L627-S629 PolarHBondContact O-N 2.89Å; L627-E630 HydrophobicContact CB-CB 4.33Å; L627-E630 PolarHBondContact O-N 3.08Å; L627-E630 VanDerWaalsContact O-N 3.08Å; L627-R631 PolarHBondContact O-N 3.31Å | ||
| 628 | P | 90.4 | Very high | 89.6 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -34.3 | -168 | 27.8 | -36 | 0 | 0 | 0 | 113.2 | Y626 E630 Q632 | Y626-P628 WeakPolarHBondContact O-CD 3.41Å; P628-E630 VanDerWaalsContact C-N 3.33Å; P628-Q632 VanDerWaalsContact O-CB 3.3Å; P628-Q632 WeakPolarHBondContact O-CB 3.28Å; P628-Q632 PolarHBondContact O-N 2.78Å |
| 629 | S | 90 | Very high | 89.4 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.3 | -31.5 | 178.1 | -50.6 | 0 | 0 | 0 | 0 | 112.7 | L627 T633 S1292 | L627-S629 VanDerWaalsContact C-N 3.32Å; L627-S629 PolarHBondContact O-N 2.89Å; S629-T633 WeakPolarHBondContact O-CB 3.43Å; S629-T633 PolarHBondContact O-N 3.42Å; S629-T633 VanDerWaalsContact O-N 3.16Å; S629-T633 PolarHBondContact O-OG1 3.47Å; S629-S1292 PolarHBondContact OG-OG 3.18Å; S629-S1292 VanDerWaalsContact OG-OG 3.11Å |
| 630 | E | 92.3 | Very high | 89.3 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.5 | -47.8 | 177.2 | -171.7 | 177.1 | 164.8 | 0 | 0 | 110.5 | H507 R511 M624 L627 P628 Q632 T633 L634 | H507-E630 IonicContact CD2-OE2 2.67Å; H507-E630 IonicContact CE1-OE1 3.92Å; H507-E630 IonicContact CE1-OE2 3.29Å; H507-E630 VanDerWaalsContact NE2-CD 3.32Å; H507-E630 IonicContact NE2-OE1 3.49Å; H507-E630 PolarHBondContact NE2-OE1 3.34Å; H507-E630 VanDerWaalsContact NE2-OE1 3.09Å; H507-E630 IonicContact NE2-OE2 2.64Å; H507-E630 PolarHBondContact NE2-OE2 2.83Å; R511-E630 WeakPolarHBondContact CD-OE1 3.27Å; R511-E630 IonicContact CZ-OE1 3.21Å; R511-E630 IonicContact NE-OE1 3.42Å; R511-E630 IonicContact NH1-OE1 2.67Å; R511-E630 PolarHBondContact NH1-OE1 3.42Å; M624-E630 HydrophobicContact CE-CB 4.01Å; M624-E630 HydrophobicContact CE-CG 3.97Å; L627-E630 HydrophobicContact CB-CB 4.33Å; L627-E630 PolarHBondContact O-N 3.08Å; L627-E630 VanDerWaalsContact O-N 3.08Å; P628-E630 VanDerWaalsContact C-N 3.33Å; E630-Q632 VanDerWaalsContact C-N 3.3Å; E630-Q632 PolarHBondContact O-N 3.42Å; E630-T633 WeakPolarHBondContact O-CA 3.38Å; E630-T633 WeakPolarHBondContact O-CB 3.44Å; E630-T633 PolarHBondContact O-N 3.14Å; E630-L634 HydrophobicContact CG-CD1 4.47Å; E630-L634 WeakPolarHBondContact O-CG 3.48Å; E630-L634 PolarHBondContact O-N 3.46Å |
| 631 | R | 92.7 | Very high | 89 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.2 | -49.8 | 172 | -173.7 | 174 | 62.4 | -147.7 | -7.3 | 111.6 | F514 Y621 M624 L627 T633 L634 I635 | F514-R631 HydrophobicContact CE1-CG 4.04Å; F514-R631 HydrophobicContact CE2-CG 3.84Å; F514-R631 HydrophobicContact CZ-CG 3.52Å; Y621-R631 HydrophobicContact CD2-CG 4.42Å; Y621-R631 HydrophobicContact CE2-CG 4.24Å; Y621-R631 PolarHBondContact O-NH1 2.99Å; M624-R631 HydrophobicContact CB-CB 4.17Å; M624-R631 HydrophobicContact CB-CG 4.33Å; M624-R631 HydrophobicContact CE-CB 4.16Å; M624-R631 PolarHBondContact O-NH1 3.16Å; M624-R631 HydrophobicContact SD-CB 3.97Å; M624-R631 HydrophobicContact SD-CG 4.25Å; L627-R631 PolarHBondContact O-N 3.31Å; R631-T633 PolarHBondContact O-N 2.74Å; R631-L634 PolarHBondContact O-N 2.85Å; R631-I635 HydrophobicContact CG-CD1 4.07Å; R631-I635 WeakPolarHBondContact O-CG1 3.46Å; R631-I635 PolarHBondContact O-N 3.4Å |
| 632 | Q | 90.8 | Very high | 88.4 | Confident | 83 Ų | 83 | 48 Ų | 48 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.4 | -176.6 | 60.6 | 77.2 | 0 | 0 | 112.5 | I608 P628 E630 L634 I635 T636 | I608-Q632 VanDerWaalsContact CG2-NE2 3.27Å; P628-Q632 VanDerWaalsContact O-CB 3.3Å; P628-Q632 WeakPolarHBondContact O-CB 3.28Å; P628-Q632 PolarHBondContact O-N 2.78Å; E630-Q632 VanDerWaalsContact C-N 3.3Å; E630-Q632 PolarHBondContact O-N 3.42Å; Q632-L634 VanDerWaalsContact C-N 3.33Å; Q632-L634 PolarHBondContact O-N 2.87Å; Q632-I635 PolarHBondContact O-N 3.35Å; Q632-T636 PolarHBondContact NE2-OG1 2.87Å; Q632-T636 WeakPolarHBondContact O-CB 3.48Å; Q632-T636 PolarHBondContact O-N 3.22Å; Q632-T636 PolarHBondContact O-OG1 3Å; Q632-T636 VanDerWaalsContact O-OG1 3.05Å |
| 633 | T | 92.2 | Very high | 87.9 | Confident | 93 Ų | 93 | 45 Ų | 45 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | S629 E630 R631 A637 | S629-T633 WeakPolarHBondContact O-CB 3.43Å; S629-T633 PolarHBondContact O-N 3.42Å; S629-T633 VanDerWaalsContact O-N 3.16Å; S629-T633 PolarHBondContact O-OG1 3.47Å; E630-T633 WeakPolarHBondContact O-CA 3.38Å; E630-T633 WeakPolarHBondContact O-CB 3.44Å; E630-T633 PolarHBondContact O-N 3.14Å; R631-T633 PolarHBondContact O-N 2.74Å; T633-A637 WeakPolarHBondContact O-CB 3.44Å; T633-A637 PolarHBondContact O-N 3.41Å |
| 634 | L | 91.3 | Very high | 86.5 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.1 | -44.5 | 178.2 | -65.5 | 179.9 | 0 | 0 | 0 | 112.1 | R511 F514 L515 L518 E630 R631 Q632 A637 Y638 | R511-L634 HydrophobicContact CG-CD1 4.24Å; F514-L634 HydrophobicContact CD1-CB 4.32Å; F514-L634 HydrophobicContact CD1-CD1 3.93Å; F514-L634 HydrophobicContact CE1-CB 4Å; F514-L634 HydrophobicContact CE1-CD1 4.4Å; L515-L634 HydrophobicContact CD2-CD1 4.34Å; L515-L634 HydrophobicContact CD2-CD2 4.17Å; L515-L634 HydrophobicContact CG-CD1 4.35Å; L518-L634 HydrophobicContact CD1-CB 4.17Å; E630-L634 HydrophobicContact CG-CD1 4.47Å; E630-L634 WeakPolarHBondContact O-CG 3.48Å; E630-L634 PolarHBondContact O-N 3.46Å; R631-L634 PolarHBondContact O-N 2.85Å; Q632-L634 VanDerWaalsContact C-N 3.33Å; Q632-L634 PolarHBondContact O-N 2.87Å; L634-A637 PolarHBondContact O-N 3.39Å; L634-Y638 WeakPolarHBondContact O-CB 3.5Å; L634-Y638 PolarHBondContact O-N 3.16Å |
| 635 | I | 92.2 | Very high | 84.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 174.4 | -66.4 | 165.9 | 0 | 0 | 0 | 110.6 | F514 L518 F525 I608 L615 Y621 R631 Q632 Y638 F639 | F514-I635 HydrophobicContact CE1-CG1 4.17Å; F514-I635 HydrophobicContact CZ-CD1 4.02Å; F514-I635 HydrophobicContact CZ-CG1 3.79Å; L518-I635 HydrophobicContact CD2-CG1 4.12Å; F525-I635 HydrophobicContact CE1-CG2 4.12Å; F525-I635 HydrophobicContact CZ-CG2 4.13Å; I608-I635 HydrophobicContact CG2-CG2 4.15Å; L615-I635 HydrophobicContact CD1-CD1 4.31Å; L615-I635 HydrophobicContact CD1-CG1 4.27Å; Y621-I635 HydrophobicContact CE2-CD1 3.85Å; R631-I635 HydrophobicContact CG-CD1 4.07Å; R631-I635 WeakPolarHBondContact O-CG1 3.46Å; R631-I635 PolarHBondContact O-N 3.4Å; Q632-I635 PolarHBondContact O-N 3.35Å; I635-Y638 PolarHBondContact O-N 3.39Å; I635-F639 WeakPolarHBondContact O-CB 3.4Å; I635-F639 PolarHBondContact O-N 3.05Å |
| 636 | T | 88.8 | Confident | 82.5 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | -179 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | I608 Q632 D640 | I608-T636 HydrophobicContact CD1-CG2 3.98Å; Q632-T636 PolarHBondContact NE2-OG1 2.87Å; Q632-T636 WeakPolarHBondContact O-CB 3.48Å; Q632-T636 PolarHBondContact O-N 3.22Å; Q632-T636 PolarHBondContact O-OG1 3Å; Q632-T636 VanDerWaalsContact O-OG1 3.05Å; T636-D640 VanDerWaalsContact O-CB 3.31Å; T636-D640 WeakPolarHBondContact O-CB 3.48Å; T636-D640 PolarHBondContact O-N 3.37Å |
| 637 | A | 86.7 | Confident | 79.9 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T633 L634 D640 M641 | T633-A637 WeakPolarHBondContact O-CB 3.44Å; T633-A637 PolarHBondContact O-N 3.41Å; L634-A637 PolarHBondContact O-N 3.39Å; A637-D640 PolarHBondContact O-N 3.14Å; A637-M641 VanDerWaalsContact O-CB 3.31Å; A637-M641 WeakPolarHBondContact O-CB 3.46Å; A637-M641 PolarHBondContact O-N 3.33Å |
| 638 | Y | 86.8 | Confident | 76.8 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69 | -41 | 176.9 | -161.1 | -104.3 | 0 | 0 | 0 | 112 | L518 V519 T522 F525 L634 I635 M641 L642 | L518-Y638 HydrophobicContact CB-CD1 4.03Å; L518-Y638 HydrophobicContact CB-CD2 4.39Å; L518-Y638 HydrophobicContact CB-CE1 4.36Å; L518-Y638 HydrophobicContact CB-CG 4.06Å; L518-Y638 HydrophobicContact CD1-CG 4.14Å; L518-Y638 WeakPolarHBondContact O-CE1 3.49Å; V519-Y638 HydrophobicContact CG2-CE2 3.97Å; T522-Y638 PolarHBondContact OG1-OH 3.29Å; F525-Y638 HydrophobicContact CB-CD1 4.47Å; F525-Y638 HydrophobicContact CB-CE1 4.45Å; F525-Y638 AromaticContact CD1-CD1 3.84Å; F525-Y638 HydrophobicContact CD1-CD1 3.84Å; F525-Y638 AromaticContact CD2-CD1 3.92Å; F525-Y638 HydrophobicContact CD2-CD1 3.92Å; F525-Y638 HydrophobicContact CD2-CE1 4.14Å; F525-Y638 AromaticContact CE1-CD1 3.98Å; F525-Y638 HydrophobicContact CE1-CD1 3.98Å; F525-Y638 HydrophobicContact CE2-CD1 4.06Å; F525-Y638 AromaticContact CG-CD1 3.82Å; F525-Y638 HydrophobicContact CG-CD1 3.82Å; F525-Y638 HydrophobicContact CG-CE1 4.16Å; F525-Y638 HydrophobicContact CZ-CD1 4.1Å; L634-Y638 WeakPolarHBondContact O-CB 3.5Å; L634-Y638 PolarHBondContact O-N 3.16Å; I635-Y638 PolarHBondContact O-N 3.39Å; Y638-M641 HydrophobicContact CD2-CE 3.33Å; Y638-M641 HydrophobicContact CE2-CE 3.54Å; Y638-M641 HydrophobicContact CG-CE 4.29Å; Y638-L642 HydrophobicContact CD1-CD1 4.2Å; Y638-L642 HydrophobicContact CE1-CD1 3.96Å |
| 639 | F | 87 | Confident | 73.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 171.4 | -174.7 | -99.6 | 0 | 0 | 0 | 111.9 | F525 T528 V529 Y532 K604 I608 L611 I635 M641 L642 I643 | F525-F639 HydrophobicContact CD1-CB 4.15Å; F525-F639 HydrophobicContact CD1-CD2 4.24Å; F525-F639 HydrophobicContact CE1-CB 4.17Å; T528-F639 HydrophobicContact CG2-CE2 3.69Å; T528-F639 HydrophobicContact CG2-CZ 4.44Å; V529-F639 HydrophobicContact CB-CE2 4.35Å; V529-F639 HydrophobicContact CG2-CD2 3.65Å; V529-F639 HydrophobicContact CG2-CE2 3.43Å; V529-F639 VanDerWaalsContact CG2-CE2 3.43Å; V529-F639 HydrophobicContact CG2-CG 4.34Å; V529-F639 HydrophobicContact CG2-CZ 3.97Å; Y532-F639 HydrophobicContact CD1-CE1 4.41Å; Y532-F639 HydrophobicContact CD1-CZ 4.29Å; Y532-F639 HydrophobicContact CG-CE1 4.45Å; Y532-F639 HydrophobicContact CG-CZ 4.05Å; K604-F639 HydrophobicContact CG-CE1 4.16Å; I608-F639 HydrophobicContact CD1-CD1 3.99Å; I608-F639 HydrophobicContact CD1-CE1 4.48Å; I608-F639 HydrophobicContact CD1-CG 4.41Å; I608-F639 HydrophobicContact CG1-CD1 4.09Å; I608-F639 HydrophobicContact CG1-CE1 4.43Å; I608-F639 HydrophobicContact CG1-CG 4.17Å; L611-F639 HydrophobicContact CD1-CD2 3.58Å; L611-F639 HydrophobicContact CD1-CE2 4.04Å; L611-F639 HydrophobicContact CD1-CG 4.47Å; I635-F639 WeakPolarHBondContact O-CB 3.4Å; I635-F639 PolarHBondContact O-N 3.05Å; F639-M641 VanDerWaalsContact C-N 3.34Å; F639-M641 PolarHBondContact O-N 3.46Å; F639-L642 PolarHBondContact O-N 3.33Å; F639-L642 VanDerWaalsContact O-N 3.12Å; F639-I643 HydrophobicContact CD1-CD1 3.94Å; F639-I643 HydrophobicContact CD1-CG1 4.49Å; F639-I643 HydrophobicContact CE1-CD1 3.75Å; F639-I643 HydrophobicContact CE1-CG1 4.35Å |
| 640 | D | 82.4 | Confident | 70.8 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68 | -31.1 | -176.8 | -74.4 | -12.9 | 0 | 0 | 0 | 113.6 | K604 T636 A637 L642 I643 | K604-D640 WeakPolarHBondContact CE-OD1 3.15Å; K604-D640 IonicContact NZ-OD1 2.59Å; K604-D640 PolarHBondContact NZ-OD1 3.15Å; K604-D640 IonicContact NZ-OD2 2.7Å; K604-D640 PolarHBondContact NZ-OD2 3.17Å; T636-D640 VanDerWaalsContact O-CB 3.31Å; T636-D640 WeakPolarHBondContact O-CB 3.48Å; T636-D640 PolarHBondContact O-N 3.37Å; A637-D640 PolarHBondContact O-N 3.14Å; D640-L642 PolarHBondContact O-N 3.12Å; D640-I643 PolarHBondContact O-N 3.24Å; D640-I643 WeakPolarHBondContact OD1-CD1 3.44Å |
| 641 | M | 81.7 | Confident | 67.6 | Low | 97 Ų | 97 | 79.4 Ų | 79.4 | 48% | 0.478 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.5 | -23 | 173.5 | -180 | 168.5 | 53.3 | 0 | 0 | 112.9 | A637 Y638 F639 | A637-M641 VanDerWaalsContact O-CB 3.31Å; A637-M641 WeakPolarHBondContact O-CB 3.46Å; A637-M641 PolarHBondContact O-N 3.33Å; Y638-M641 HydrophobicContact CD2-CE 3.33Å; Y638-M641 HydrophobicContact CE2-CE 3.54Å; Y638-M641 HydrophobicContact CG-CE 4.29Å; F639-M641 VanDerWaalsContact C-N 3.34Å; F639-M641 PolarHBondContact O-N 3.46Å |
| 642 | L | 79.1 | Confident | 64.6 | Low | 44 Ų | 44 | 85.7 Ų | 85.7 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -5.9 | 178.8 | -67 | 168.2 | 0 | 0 | 0 | 113.4 | F525 V529 Y638 F639 D640 | F525-L642 HydrophobicContact CB-CD1 3.65Å; F525-L642 HydrophobicContact CG-CD1 4.42Å; V529-L642 HydrophobicContact CG2-CB 3.99Å; Y638-L642 HydrophobicContact CD1-CD1 4.2Å; Y638-L642 HydrophobicContact CE1-CD1 3.96Å; F639-L642 PolarHBondContact O-N 3.33Å; F639-L642 VanDerWaalsContact O-N 3.12Å; D640-L642 PolarHBondContact O-N 3.12Å |
| 643 | I | 77.2 | Confident | 61.6 | Low | 35 Ų | 35 | 87.6 Ų | 87.6 | 18% | 0.179 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -83.2 | 125.1 | 179.2 | -56.3 | 174.4 | 0 | 0 | 0 | 110.5 | V529 Y532 F639 D640 S645 | V529-I643 HydrophobicContact CG1-CG1 4.33Å; V529-I643 HydrophobicContact CG2-CG1 4.39Å; Y532-I643 HydrophobicContact CD1-CD1 4.36Å; Y532-I643 HydrophobicContact CE1-CD1 4.07Å; F639-I643 HydrophobicContact CD1-CD1 3.94Å; F639-I643 HydrophobicContact CD1-CG1 4.49Å; F639-I643 HydrophobicContact CE1-CD1 3.75Å; F639-I643 HydrophobicContact CE1-CG1 4.35Å; D640-I643 PolarHBondContact O-N 3.24Å; D640-I643 WeakPolarHBondContact OD1-CD1 3.44Å; I643-S645 PolarHBondContact O-N 3.46Å |
| 644 | P | 57.9 | Low | 58.3 | Low | 51 Ų | 51 | 94.9 Ų | 94.9 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 132.9 | 171.2 | -20.9 | 32.9 | 0 | 0 | 0 | 111.9 | L533 | L533-P644 HydrophobicContact CD1-CG 4.18Š|
| 645 | S | 49.4 | Very low | 55.2 | Low | 41 Ų | 41 | 99.8 Ų | 99.8 | 29% | 0.287 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 121 | 172.7 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | I643 D647 K726 | I643-S645 PolarHBondContact O-N 3.46Å; S645-D647 VanDerWaalsContact C-N 3.32Å; S645-D647 PolarHBondContact O-N 2.94Å; S645-K726 VanDerWaalsContact CB-NZ 3.33Å; S645-K726 WeakPolarHBondContact OG-CD 3.48Å; S645-K726 VanDerWaalsContact OG-CE 3.27Å; S645-K726 WeakPolarHBondContact OG-CE 3.23Å; S645-K726 PolarHBondContact OG-NZ 3.4Å |
| 646 | T | 42.3 | Very low | 52.4 | Low | 126 Ų | 126 | 105.5 Ų | 105.5 | 77% | 0.773 | 56% | 0.555 | S | S | * | * | trans | -73.7 | 77 | 176.4 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | S648 | T646-S648 PolarHBondContact O-N 3.42Š| ||
| 647 | D | 34.2 | Very low | 49.2 | Very low | 147 Ų | 147 | 108.9 Ų | 108.9 | 79% | 0.786 | 58% | 0.579 | S | S | * | * | trans | -75.7 | 71.2 | 171.8 | -86.2 | -39 | 0 | 0 | 0 | 111.2 | S645 H649 | S645-D647 VanDerWaalsContact C-N 3.32Å; S645-D647 PolarHBondContact O-N 2.94Å; D647-H649 VanDerWaalsContact C-N 3.27Å; D647-H649 PolarHBondContact O-N 2.96Å | ||
| 648 | S | 27.1 | Very low | 46.4 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | trans | -76.1 | 62.8 | -176.9 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | T646 | T646-S648 PolarHBondContact O-N 3.42Š| ||
| 649 | H | 27.6 | Very low | 43.5 | Very low | 179 Ų | 179 | 117.7 Ų | 117.7 | 83% | 0.829 | 62% | 0.621 | S | S | * | * | trans | -166 | 78.8 | 165.3 | -87.5 | -53.9 | 0 | 0 | 0 | 113.2 | D647 | D647-H649 VanDerWaalsContact C-N 3.27Å; D647-H649 PolarHBondContact O-N 2.96Å | ||
| 650 | R | 27.1 | Very low | 40.6 | Very low | 243 Ų | 243 | 124.2 Ų | 124.2 | 92% | 0.917 | 66% | 0.655 | S | S | * | * | trans | -157.8 | 33.1 | 166.1 | -122.3 | 166.1 | -157.5 | -165.7 | 5.2 | 120.3 | ||||
| 651 | F | 24.7 | Very low | 37.9 | Very low | 209 Ų | 209 | 128.3 Ų | 128.3 | 92% | 0.917 | 68% | 0.676 | S | S | * | * | trans | -131.1 | 107.2 | 164.8 | -82.9 | -79.4 | 0 | 0 | 0 | 112.3 | ||||
| 652 | I | 30.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 129 Ų | 129 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -175.6 | 147 | 150.4 | -98.9 | 155.1 | 0 | 0 | 0 | 107.6 | ||
| 653 | P | 27.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | -80.2 | 168.2 | -165.8 | -15.6 | 32.9 | 0 | 0 | 0 | 115.9 | ||||
| 654 | R | 23.6 | Very low | 30 | Very low | 246 Ų | 246 | 136.6 Ų | 136.6 | 93% | 0.928 | 73% | 0.731 | S | S | * | * | trans | -67 | 141.8 | 179.7 | -71.9 | 175.8 | 169 | 158.2 | -4.8 | 113.6 | ||||
| 655 | S | 25 | Very low | 28.4 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -154.9 | 138.8 | 152.4 | -75.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 656 | P | 33.4 | Very low | 27.2 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -108.3 | 173 | -168.4 | 40.1 | -35.7 | 0 | 0 | 0 | 115.9 | ||||
| 657 | S | 23.1 | Very low | 26.4 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 107.7 | 134.3 | 153.6 | 76.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 658 | N | 27 | Very low | 26.3 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 73 | 100.4 | 149.6 | -61 | 14 | 0 | 0 | 0 | 123.3 | ||||
| 659 | D | 25.9 | Very low | 26.8 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | 75.2 | 128.8 | 109.3 | -65.8 | 1.9 | 0 | 0 | 0 | 126.1 | |||||
| 660 | I | 27.3 | Very low | 27 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | 83.2 | 112.9 | 136.7 | -70.2 | 168.5 | 0 | 0 | 0 | 121.1 | ||||
| 661 | L | 24.2 | Very low | 27 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 40.5 | 147.6 | 132.2 | -48.2 | -179.8 | 0 | 0 | 0 | 120.9 | ||||
| 662 | T | 24.5 | Very low | 27.2 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | cis | -175.7 | 162.8 | 0.3 | 20.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 663 | V | 24.4 | Very low | 27.4 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 68.5 | 135.4 | 145.3 | 156.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 664 | D | 24.4 | Very low | 27.4 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 57% | 0.572 | 77% | 0.769 | S | S | * | * | cis | -169 | 174 | -3 | -153.2 | -18.6 | 0 | 0 | 0 | 112 | ||||
| 665 | F | 23 | Very low | 27.6 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | 64 | 158.1 | 159.1 | -64.9 | -50.4 | 0 | 0 | 0 | 119.5 | ||||
| 666 | R | 25.1 | Very low | 27.7 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | cis | -148.7 | 159.4 | -0.5 | -135.4 | 170.7 | -162.7 | -173.1 | 4.2 | 113.7 | ||||
| 667 | V | 25.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -62.2 | 149.4 | 174.3 | 174.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 668 | Q | 32 | Very low | 27.7 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -151.5 | 137.3 | 142.4 | -130.8 | 172.7 | 95 | 0 | 0 | 113.6 | ||||
| 669 | N | 37.8 | Very low | 27.5 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -158.1 | 117.4 | 173.7 | -178.1 | 22.2 | 0 | 0 | 0 | 110.5 | ||||
| 670 | P | 31.6 | Very low | 27.6 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | -124.2 | 155.8 | 165.6 | 36.9 | -23.9 | 0 | 0 | 0 | 112.1 | ||||
| 671 | R | 27.5 | Very low | 28.2 | Very low | 244 Ų | 244 | 140.9 Ų | 140.9 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | cis | -155.3 | 145.7 | 20.4 | -146.1 | 173 | -168.7 | 159.5 | 2.1 | 111.5 | ||||
| 672 | S | 28.7 | Very low | 28.5 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -110.2 | 157.7 | 162.1 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 673 | P | 33.4 | Very low | 28.5 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | -135.3 | 164.9 | 120.3 | 25 | -7.4 | 0 | 0 | 0 | 110.9 | |||||
| 674 | M | 27.9 | Very low | 28.5 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | cis | -166.7 | 158.9 | -12.3 | -102.5 | -132.8 | 158.1 | 0 | 0 | 104.2 | ||||
| 675 | A | 28.5 | Very low | 28.5 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | cis | -162.3 | 162.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 676 | S | 26.5 | Very low | 28.8 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -171.7 | -175.3 | -16.7 | 54.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 677 | N | 28.8 | Very low | 28.8 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | trans | 72.7 | 73.7 | 168.7 | -54.9 | 37.8 | 0 | 0 | 0 | 115.7 | ||||
| 678 | E | 26.5 | Very low | 28.6 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | 53.7 | 130.3 | 101.1 | -63.3 | 156 | 150.2 | 0 | 0 | 117.5 | |||||
| 679 | M | 24.3 | Very low | 28.2 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | 58.9 | 135.6 | 64.1 | -56.9 | -70 | -158.6 | 0 | 0 | 111.2 | |||||
| 680 | D | 26.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | cis | -134.8 | 162.6 | 33.1 | -82.9 | -54.9 | 0 | 0 | 0 | 115.5 | ||||
| 681 | S | 40.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -112.3 | 128.7 | 146.3 | -65.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 682 | P | 29.5 | Very low | 27 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | trans | -115 | 144.7 | 138.7 | -10.5 | 31.7 | 0 | 0 | 0 | 110.2 | ||||
| 683 | V | 25.2 | Very low | 26.7 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | cis | 63.8 | 121.7 | 41.4 | -169.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 684 | I | 24.8 | Very low | 26.3 | Very low | 138 Ų | 138 | 123.5 Ų | 123.5 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | cis | -135.7 | 178.8 | 20.7 | 2.7 | -173.7 | 0 | 0 | 0 | 108 | ||||
| 685 | D | 24.9 | Very low | 26.1 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | S | Bend | cis | -142.6 | 131.4 | 23.5 | -88.6 | -59.1 | 0 | 0 | 0 | 111.4 | ||
| 686 | N | 28.1 | Very low | 25.9 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | -162.8 | 123 | 95 | -116.1 | -27.6 | 0 | 0 | 0 | 112.3 | |||||
| 687 | A | 24.5 | Very low | 25.7 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | trans | -63.3 | 151.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 688 | L | 22.5 | Very low | 25.7 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | 14.1 | 126.1 | 115.8 | -52.8 | 150.1 | 0 | 0 | 0 | 116.5 | I690 | L688-I690 HydrophobicContact CD2-CD1 3.83Š| |||
| 689 | C | 24.3 | Very low | 25.6 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 87% | 0.865 | 71% | 0.71 | S | S | * | * | trans | -148.4 | 129.1 | 130.1 | -83.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 690 | I | 23.2 | Very low | 25.8 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 58% | 0.579 | 72% | 0.715 | S | S | * | * | cis | 62.6 | 102.5 | -5.4 | -70.9 | -179.4 | 0 | 0 | 0 | 113.1 | L688 | L688-I690 HydrophobicContact CD2-CD1 3.83Š| ||
| 691 | D | 23.3 | Very low | 25.7 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | cis | -147.4 | 164.5 | 14.6 | -85.4 | -39.5 | 0 | 0 | 0 | 113.4 | T693 | D691-T693 PolarHBondContact O-N 3.41Š| ||
| 692 | P | 23.8 | Very low | 24.9 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -84.9 | 46.5 | 165.1 | 37.7 | -35.2 | 0 | 0 | 0 | 112.8 | ||
| 693 | T | 24 | Very low | 24.6 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | -158.6 | 144.8 | 163.4 | 21.9 | 0 | 0 | 0 | 0 | 108.7 | D691 | D691-T693 PolarHBondContact O-N 3.41Š| ||
| 694 | A | 23.1 | Very low | 24.5 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 63% | 0.628 | 71% | 0.706 | S | S | * | * | cis | -142 | 166.9 | 12.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 695 | D | 24.6 | Very low | 24.6 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | 83.3 | 109.2 | 147.3 | -58.4 | -24.6 | 0 | 0 | 0 | 123.7 | ||||
| 696 | Y | 24.2 | Very low | 24.7 | Very low | 203 Ų | 203 | 127.7 Ų | 127.7 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | trans | 51.4 | 150.5 | 130.8 | -71 | -98.2 | 0 | 0 | 0 | 122.3 | ||||
| 697 | C | 23.4 | Very low | 24.6 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 53% | 0.527 | 70% | 0.7 | S | S | . | * | cis | -172.5 | 149 | -37.2 | -141.3 | 0 | 0 | 0 | 0 | 108.7 | E699 | C697-E699 HydrophobicContact CB-CG 3.62Å; C697-E699 VanDerWaalsContact SG-CG 3.53Å; C697-E699 PolarHBondContact SG-OE1 2.96Å | ||
| 698 | S | 28.1 | Very low | 24.7 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 88% | 0.881 | 71% | 0.708 | S | S | * | * | trans | -169.9 | 84.2 | 169.8 | -77.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 699 | E | 24.9 | Very low | 24.8 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 45% | 0.453 | 71% | 0.71 | S | S | . | * | cis | 83.8 | 99.2 | 42.7 | -49.6 | -126.3 | 135.7 | 0 | 0 | 114.7 | C697 Y701 | C697-E699 HydrophobicContact CB-CG 3.62Å; C697-E699 VanDerWaalsContact SG-CG 3.53Å; C697-E699 PolarHBondContact SG-OE1 2.96Å; E699-Y701 HydrophobicContact CB-CD2 3.86Å; E699-Y701 HydrophobicContact CB-CE2 3.77Å; E699-Y701 HydrophobicContact CG-CD2 4.32Å; E699-Y701 HydrophobicContact CG-CE2 3.7Å; E699-Y701 WeakPolarHBondContact OE1-CE2 3.23Å; E699-Y701 PolarHBondContact OE1-OH 3.21Å | ||
| 700 | S | 27.3 | Very low | 24.8 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 90% | 0.902 | 71% | 0.706 | S | S | * | * | trans | -160.3 | 131 | 147.5 | -81.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 701 | Y | 26.1 | Very low | 25.4 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 56% | 0.557 | 71% | 0.713 | S | S | * | * | -145.8 | 147.8 | -119.1 | -123.1 | -105.2 | 0 | 0 | 0 | 115.2 | E699 F703 | E699-Y701 HydrophobicContact CB-CD2 3.86Å; E699-Y701 HydrophobicContact CB-CE2 3.77Å; E699-Y701 HydrophobicContact CG-CD2 4.32Å; E699-Y701 HydrophobicContact CG-CE2 3.7Å; E699-Y701 WeakPolarHBondContact OE1-CE2 3.23Å; E699-Y701 PolarHBondContact OE1-OH 3.21Å; Y701-F703 AromaticContact CD1-CD2 3.88Å; Y701-F703 HydrophobicContact CD1-CD2 3.88Å; Y701-F703 AromaticContact CD1-CE2 3.71Å; Y701-F703 HydrophobicContact CD1-CE2 3.71Å; Y701-F703 HydrophobicContact CE1-CD2 4.17Å; Y701-F703 AromaticContact CE1-CE2 3.65Å; Y701-F703 HydrophobicContact CE1-CE2 3.65Å; Y701-F703 HydrophobicContact CE1-CZ 4.44Å | |||
| 702 | R | 23.6 | Very low | 25.3 | Very low | 231 Ų | 231 | 131.7 Ų | 131.7 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | 176.5 | 120.8 | 121.2 | -97.7 | 172.5 | -179.7 | -157.1 | -1.9 | 114.7 | |||||
| 703 | F | 23.7 | Very low | 25.3 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | 38.2 | 134.8 | 125.2 | -73.5 | -95.1 | 0 | 0 | 0 | 120.5 | Y701 | Y701-F703 AromaticContact CD1-CD2 3.88Å; Y701-F703 HydrophobicContact CD1-CD2 3.88Å; Y701-F703 AromaticContact CD1-CE2 3.71Å; Y701-F703 HydrophobicContact CD1-CE2 3.71Å; Y701-F703 HydrophobicContact CE1-CD2 4.17Å; Y701-F703 AromaticContact CE1-CE2 3.65Å; Y701-F703 HydrophobicContact CE1-CE2 3.65Å; Y701-F703 HydrophobicContact CE1-CZ 4.44Å | |||
| 704 | E | 22.1 | Very low | 25.4 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | cis | -168.5 | 167 | -7.2 | -149.9 | 174.5 | -160.7 | 0 | 0 | 111.9 | ||||
| 705 | S | 26.7 | Very low | 25.5 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | 69.4 | 137.5 | 164.3 | -167.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 706 | S | 27.8 | Very low | 25.6 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | -165.8 | 157.7 | -19.6 | -83.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 707 | Y | 24.9 | Very low | 25.8 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 73% | 0.725 | 71% | 0.714 | S | S | * | * | cis | -165.3 | 146 | -44.8 | -108 | -57.3 | 0 | 0 | 0 | 108.2 | ||||
| 708 | L | 26.7 | Very low | 26 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 29.2 | 124.8 | 156.2 | -64.2 | 161.4 | 0 | 0 | 0 | 119.5 | L710 | L708-L710 HydrophobicContact CD2-CD1 4.45Š| ||
| 709 | C | 25 | Very low | 25.9 | Very low | 107 Ų | 107 | 123 Ų | 123 | 72% | 0.723 | 69% | 0.694 | S | S | * | * | cis | 62 | 107.2 | 24.6 | -163.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 710 | L | 23.7 | Very low | 26.3 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | -172.3 | 157.8 | 120.5 | -117.7 | 83 | 0 | 0 | 0 | 110.9 | L708 | L708-L710 HydrophobicContact CD2-CD1 4.45Š| |||
| 711 | P | 35.6 | Very low | 26.7 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | trans | -93.3 | 157.3 | -178.7 | 37 | -33.1 | 0 | 0 | 0 | 113.1 | ||||
| 712 | C | 22.2 | Very low | 27.1 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | trans | -107 | 116.9 | 176.4 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 713 | L | 24.5 | Very low | 27.8 | Very low | 168 Ų | 168 | 109.4 Ų | 109.4 | 88% | 0.88 | 65% | 0.652 | S | S | * | * | trans | -82.1 | 108.1 | 163.5 | -82.3 | 71.1 | 0 | 0 | 0 | 109 | ||||
| 714 | S | 24.6 | Very low | 28.5 | Very low | 63 Ų | 63 | 106.5 Ų | 106.5 | 44% | 0.441 | 64% | 0.642 | S | S | . | * | trans | -153.9 | 127.9 | 168.1 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | S716 | S714-S716 PolarHBondContact O-N 2.97Š| ||
| 715 | V | 26.7 | Very low | 29.2 | Very low | 159 Ų | 159 | 104.1 Ų | 104.1 | 96% | 0.964 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -81.9 | 62 | 178.7 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 716 | S | 25 | Very low | 29.8 | Very low | 94 Ų | 94 | 103.2 Ų | 103.2 | 66% | 0.657 | 61% | 0.614 | S | S | * | * | trans | -172.3 | 95.2 | 174.5 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | S714 | S714-S716 PolarHBondContact O-N 2.97Š| ||
| 717 | C | 30.1 | Very low | 30.2 | Very low | 102 Ų | 102 | 104.2 Ų | 104.2 | 69% | 0.689 | 61% | 0.607 | S | S | * | * | trans | -142.2 | 86.4 | 175.6 | -84.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 718 | G | 25.9 | Very low | 30.7 | Very low | 49 Ų | 49 | 99.7 Ų | 99.7 | 51% | 0.505 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -111.3 | -38.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C720 V721 | G718-C720 PolarHBondContact O-N 3.43Å; G718-V721 PolarHBondContact O-N 2.98Å; G718-V721 VanDerWaalsContact O-N 3.11Å |
| 719 | G | 27.1 | Very low | 31.1 | Very low | 45 Ų | 45 | 95.7 Ų | 95.7 | 46% | 0.464 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.3 | 2.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 118 | D722 V723 | G719-D722 WeakPolarHBondContact CA-OD2 3.49Å; G719-V723 WeakPolarHBondContact O-CG2 3.48Å |
| 720 | C | 32.4 | Very low | 31.6 | Very low | 82 Ų | 82 | 97.1 Ų | 97.1 | 55% | 0.554 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82.5 | -26.6 | 169.8 | 39.3 | 0 | 0 | 0 | 0 | 112.5 | G718 | G718-C720 PolarHBondContact O-N 3.43Å |
| 721 | V | 37 | Very low | 32 | Very low | 76 Ų | 76 | 97.2 Ų | 97.2 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75.9 | -40.8 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | G718 V723 L724 F725 | G718-V721 PolarHBondContact O-N 2.98Å; G718-V721 VanDerWaalsContact O-N 3.11Å; V721-V723 VanDerWaalsContact C-N 3.26Å; V721-V723 PolarHBondContact O-N 3.18Å; V721-L724 PolarHBondContact O-N 3.32Å; V721-F725 HydrophobicContact CG1-CD2 4.37Å; V721-F725 PolarHBondContact O-N 3.3Å |
| 722 | D | 33.6 | Very low | 32.1 | Very low | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.6 | -36.9 | 178.6 | -55.5 | -22.4 | 0 | 0 | 0 | 112.6 | G719 K726 | G719-D722 WeakPolarHBondContact CA-OD2 3.49Å; D722-K726 WeakPolarHBondContact O-CB 3.15Å; D722-K726 WeakPolarHBondContact O-CD 3.42Å; D722-K726 WeakPolarHBondContact O-CG 3.36Å; D722-K726 PolarHBondContact O-N 2.93Å; D722-K726 VanDerWaalsContact O-N 3.12Å |
| 723 | V | 38.6 | Very low | 32.3 | Very low | 78 Ų | 78 | 98.7 Ų | 98.7 | 47% | 0.473 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69 | -38.6 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | G719 V721 K726 Q727 | G719-V723 WeakPolarHBondContact O-CG2 3.48Å; V721-V723 VanDerWaalsContact C-N 3.26Å; V721-V723 PolarHBondContact O-N 3.18Å; V723-K726 PolarHBondContact O-N 3.24Å; V723-Q727 WeakPolarHBondContact O-CG 3.21Å; V723-Q727 PolarHBondContact O-N 3.1Å |
| 724 | L | 37.7 | Very low | 32.6 | Very low | 86 Ų | 86 | 96.4 Ų | 96.4 | 45% | 0.45 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.7 | -39.4 | -178.7 | -128.4 | 165.6 | 0 | 0 | 0 | 111.8 | V721 K726 Q727 L728 | V721-L724 PolarHBondContact O-N 3.32Å; L724-K726 VanDerWaalsContact C-N 3.35Å; L724-Q727 PolarHBondContact O-N 3.29Å; L724-L728 HydrophobicContact CD2-CD1 4.3Å; L724-L728 PolarHBondContact O-N 2.94Å |
| 725 | F | 37.4 | Very low | 32.7 | Very low | 103 Ų | 103 | 96.6 Ų | 96.6 | 45% | 0.452 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -41.2 | 171.1 | -115.7 | -82.4 | 0 | 0 | 0 | 111.8 | V721 Q727 L728 A729 | V721-F725 HydrophobicContact CG1-CD2 4.37Å; V721-F725 PolarHBondContact O-N 3.3Å; F725-Q727 PolarHBondContact O-N 2.94Å; F725-L728 PolarHBondContact O-N 3.4Å; F725-A729 WeakPolarHBondContact O-CB 3.41Å; F725-A729 PolarHBondContact O-N 2.73Å |
| 726 | K | 38.7 | Very low | 32.7 | Very low | 77 Ų | 77 | 94 Ų | 94 | 34% | 0.335 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.6 | -37.9 | 173.5 | -77.4 | 168.7 | 176.1 | -171.9 | 0 | 113.3 | S645 D722 V723 L724 H730 | S645-K726 VanDerWaalsContact CB-NZ 3.33Å; S645-K726 WeakPolarHBondContact OG-CD 3.48Å; S645-K726 VanDerWaalsContact OG-CE 3.27Å; S645-K726 WeakPolarHBondContact OG-CE 3.23Å; S645-K726 PolarHBondContact OG-NZ 3.4Å; D722-K726 WeakPolarHBondContact O-CB 3.15Å; D722-K726 WeakPolarHBondContact O-CD 3.42Å; D722-K726 WeakPolarHBondContact O-CG 3.36Å; D722-K726 PolarHBondContact O-N 2.93Å; D722-K726 VanDerWaalsContact O-N 3.12Å; V723-K726 PolarHBondContact O-N 3.24Å; L724-K726 VanDerWaalsContact C-N 3.35Å; K726-H730 WeakPolarHBondContact O-CB 3.43Å; K726-H730 PolarHBondContact O-N 3.46Å |
| 727 | Q | 36.1 | Very low | 32.8 | Very low | 122 Ų | 122 | 99.8 Ų | 99.8 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.5 | -44.6 | 176.3 | -75.2 | -176.4 | -97.8 | 0 | 0 | 111.8 | V723 L724 F725 A729 H730 E731 | V723-Q727 WeakPolarHBondContact O-CG 3.21Å; V723-Q727 PolarHBondContact O-N 3.1Å; L724-Q727 PolarHBondContact O-N 3.29Å; F725-Q727 PolarHBondContact O-N 2.94Å; Q727-A729 VanDerWaalsContact C-N 3.35Å; Q727-A729 PolarHBondContact O-N 2.93Å; Q727-H730 WeakPolarHBondContact O-CA 3.34Å; Q727-H730 VanDerWaalsContact O-CB 3.31Å; Q727-H730 WeakPolarHBondContact O-CB 3.41Å; Q727-H730 PolarHBondContact O-N 2.94Å; Q727-E731 PolarHBondContact O-N 2.97Å |
| 728 | L | 36.3 | Very low | 32.6 | Very low | 90 Ų | 90 | 100.6 Ų | 100.6 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.6 | -38.2 | 176.3 | -76.2 | 167.5 | 0 | 0 | 0 | 112.4 | L724 F725 H730 Y732 | L724-L728 HydrophobicContact CD2-CD1 4.3Å; L724-L728 PolarHBondContact O-N 2.94Å; F725-L728 PolarHBondContact O-N 3.4Å; L728-H730 PolarHBondContact O-N 2.86Å; L728-Y732 WeakPolarHBondContact O-CD2 3.38Å |
| 729 | A | 34.4 | Very low | 32.7 | Very low | 59 Ų | 59 | 108.9 Ų | 108.9 | 49% | 0.488 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -16.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F725 Q727 | F725-A729 WeakPolarHBondContact O-CB 3.41Å; F725-A729 PolarHBondContact O-N 2.73Å; Q727-A729 VanDerWaalsContact C-N 3.35Å; Q727-A729 PolarHBondContact O-N 2.93Å |
| 730 | H | 34.9 | Very low | 32.6 | Very low | 136 Ų | 136 | 111.7 Ų | 111.7 | 63% | 0.63 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -18.6 | -176.8 | -125.4 | -70.7 | 0 | 0 | 0 | 114.6 | K726 Q727 L728 | K726-H730 WeakPolarHBondContact O-CB 3.43Å; K726-H730 PolarHBondContact O-N 3.46Å; Q727-H730 WeakPolarHBondContact O-CA 3.34Å; Q727-H730 VanDerWaalsContact O-CB 3.31Å; Q727-H730 WeakPolarHBondContact O-CB 3.41Å; Q727-H730 PolarHBondContact O-N 2.94Å; L728-H730 PolarHBondContact O-N 2.86Å |
| 731 | E | 34 | Very low | 32.4 | Very low | 155 Ų | 155 | 118.6 Ų | 118.6 | 72% | 0.724 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -11.7 | -178.3 | -72.9 | -172.1 | 131 | 0 | 0 | 114.1 | Q727 | Q727-E731 PolarHBondContact O-N 2.97Š|
| 732 | Y | 36.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 124 Ų | 124 | 41% | 0.412 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.5 | 15.6 | -172.8 | -69.3 | -89.8 | 0 | 0 | 0 | 115.3 | L728 P734 V1135 I1139 | L728-Y732 WeakPolarHBondContact O-CD2 3.38Å; Y732-P734 VanDerWaalsContact C-CD 3.49Å; Y732-P734 VanDerWaalsContact O-CD 3.25Å; Y732-P734 WeakPolarHBondContact O-CD 3.39Å; Y732-V1135 HydrophobicContact CD1-CG1 3.93Å; Y732-V1135 HydrophobicContact CD1-CG2 4.34Å; Y732-V1135 HydrophobicContact CE1-CG1 3.67Å; Y732-V1135 HydrophobicContact CE1-CG2 4.2Å; Y732-I1139 HydrophobicContact CD1-CD1 3.7Å; Y732-I1139 HydrophobicContact CE1-CD1 3.49Å; Y732-I1139 VanDerWaalsContact CE1-CD1 3.49Å |
| 733 | L | 25.8 | Very low | 31.5 | Very low | 145 Ų | 145 | 127 Ų | 127 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | trans | -115.4 | 79.5 | 178.1 | -76.7 | 171.8 | 0 | 0 | 0 | 112.9 | ||||
| 734 | P | 32.2 | Very low | 31 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | -73.3 | 124.8 | 170 | 30.4 | -33.1 | 0 | 0 | 0 | 111.1 | Y732 | Y732-P734 VanDerWaalsContact C-CD 3.49Å; Y732-P734 VanDerWaalsContact O-CD 3.25Å; Y732-P734 WeakPolarHBondContact O-CD 3.39Å | ||
| 735 | G | 26.5 | Very low | 30.4 | Very low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | -86.1 | 155.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 736 | N | 26.1 | Very low | 30 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | trans | 58.3 | 101.1 | 168.1 | -67.9 | -0.2 | 0 | 0 | 0 | 118.3 | D548 | D548-N736 VanDerWaalsContact CG-ND2 3.3Å; D548-N736 PolarHBondContact OD1-ND2 2.78Å; D548-N736 PolarHBondContact OD2-ND2 2.87Å | ||
| 737 | F | 28.1 | Very low | 29.3 | Very low | 215 Ų | 215 | 140 Ų | 140 | 94% | 0.943 | 70% | 0.699 | S | S | * | * | -145.4 | 150.8 | 128 | -113.4 | -76.8 | 0 | 0 | 0 | 110.4 | |||||
| 738 | V | 25.1 | Very low | 28.9 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | trans | -135.5 | 135 | -169.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 739 | Y | 27.6 | Very low | 28.4 | Very low | 223 Ų | 223 | 143.5 Ų | 143.5 | 88% | 0.875 | 73% | 0.726 | S | S | * | * | trans | 159 | 144.9 | 155.8 | -95.5 | -61.1 | 0 | 0 | 0 | 107.9 | ||||
| 740 | S | 25.4 | Very low | 28 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | cis | -144.4 | 164.3 | -1.9 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 741 | R | 28.3 | Very low | 27.5 | Very low | 226 Ų | 226 | 146.8 Ų | 146.8 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -145.2 | 111.2 | 170.3 | -174 | -174.2 | -176.6 | -168 | 2.4 | 113.5 | ||||
| 742 | E | 26.3 | Very low | 27.2 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -123.4 | 125.7 | 161.8 | -63.9 | -177.9 | 147.6 | 0 | 0 | 106.6 | ||||
| 743 | Q | 25.6 | Very low | 26.6 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | cis | 86.6 | 104.6 | 43.9 | -71.1 | -167.7 | 42.5 | 0 | 0 | 113.8 | ||||
| 744 | F | 27.2 | Very low | 26.4 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | -164.8 | 116.9 | 119.8 | -90.6 | -79.4 | 0 | 0 | 0 | 105.3 | |||||
| 745 | I | 26.5 | Very low | 26 | Very low | 112 Ų | 112 | 152.9 Ų | 152.9 | 57% | 0.574 | 77% | 0.774 | S | S | * | * | 74.5 | 115.6 | 68 | -67.3 | 167.5 | 0 | 0 | 0 | 109.3 | |||||
| 746 | N | 28.3 | Very low | 25.8 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | -160.2 | 179.9 | 47.6 | -123.8 | -15.1 | 0 | 0 | 0 | 115.9 | ||||
| 747 | F | 24.3 | Very low | 25.8 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -44.6 | 167.5 | 175.8 | -69.1 | -89.8 | 0 | 0 | 0 | 117.9 | ||||
| 748 | S | 27.5 | Very low | 25.5 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -146.7 | -166.6 | 30.2 | 65.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 749 | E | 26.1 | Very low | 25.6 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -95.1 | 151.1 | -151.7 | -61 | 169 | 110.7 | 0 | 0 | 118.1 | ||||
| 750 | S | 25.5 | Very low | 25.5 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | 39.6 | 103.9 | 147.4 | 64.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 751 | N | 23.8 | Very low | 25.5 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | 179.3 | 81 | 123.4 | -93.7 | -32 | 0 | 0 | 0 | 110.8 | N753 | N751-N753 PolarHBondContact O-N 2.69Š| |||
| 752 | S | 28.4 | Very low | 25.2 | Very low | 125 Ų | 125 | 151 Ų | 151 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -95.8 | 82.5 | -170.5 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 753 | N | 23.2 | Very low | 25.2 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -90.1 | 129 | 155.8 | -98.1 | -26.1 | 0 | 0 | 0 | 109.7 | N751 | N751-N753 PolarHBondContact O-N 2.69Š| ||
| 754 | Y | 22.8 | Very low | 25.1 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 37.4 | 127.5 | 141.9 | -73.5 | -79 | 0 | 0 | 0 | 123.1 | ||||
| 755 | F | 23.2 | Very low | 25 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 155.5 | 143.8 | -86.5 | -66.6 | 0 | 0 | 0 | 122.5 | ||||
| 756 | C | 23.5 | Very low | 24.9 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 75.3 | 90.5 | 166.9 | -66.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 757 | L | 25.9 | Very low | 24.6 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | -154.6 | 130.1 | 129.7 | -116.5 | 162.5 | 0 | 0 | 0 | 111.3 | |||||
| 758 | D | 21.9 | Very low | 24.7 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 60% | 0.604 | 79% | 0.793 | S | S | * | * | trans | -99.4 | 156.6 | 177.1 | 177 | 30.3 | 0 | 0 | 0 | 110.3 | ||||
| 759 | K | 26.6 | Very low | 25 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | 75.5 | 129.9 | 172.8 | -48.6 | 175.2 | -167.9 | 175.4 | 0 | 115.5 | ||||
| 760 | S | 25.8 | Very low | 25 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -169.8 | 151 | -5.6 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 761 | M | 24 | Very low | 24.9 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | cis | -167.9 | 123.8 | -3.7 | -117.2 | -85.7 | 148.5 | 0 | 0 | 106.8 | ||||
| 762 | L | 23.9 | Very low | 25 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 174.7 | 145.2 | 151.1 | -101.2 | 161 | 0 | 0 | 0 | 114.4 | ||||
| 763 | S | 24.4 | Very low | 24.8 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 49.8 | 73.9 | 154.2 | 58.7 | 0 | 0 | 0 | 0 | 120 | ||
| 764 | I | 24.5 | Very low | 24.7 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | 170.4 | 122.6 | 121.4 | -86.7 | 156.6 | 0 | 0 | 0 | 107.5 | |||||
| 765 | P | 24.2 | Very low | 24.7 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -134.2 | 156.8 | 117.6 | 37.4 | -29.5 | 0 | 0 | 0 | 113.5 | |||||
| 766 | R | 25.4 | Very low | 24.6 | Very low | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -89.8 | 118.5 | 172.9 | -67 | 171.6 | 167.6 | 121.8 | -6.2 | 109.9 | ||||
| 767 | S | 22.5 | Very low | 24.6 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -165.9 | 111.6 | 161.1 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 768 | S | 25.9 | Very low | 24.5 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -174.1 | 93.2 | 154.4 | 10.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 769 | T | 33 | Very low | 24.7 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | -73.5 | 156 | 122.2 | 39.7 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 770 | P | 26.7 | Very low | 24.5 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -142 | -160.5 | 29.7 | 44.1 | -24.7 | 0 | 0 | 0 | 115 | ||||
| 771 | Q | 22.6 | Very low | 24.4 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | 68.5 | 99.8 | 152.9 | -76.1 | 170.6 | -6.2 | 0 | 0 | 119.8 | ||||
| 772 | I | 26.4 | Very low | 24.4 | Very low | 165 Ų | 165 | 136 Ų | 136 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -52 | 129.8 | 134.7 | -65.9 | 156.6 | 0 | 0 | 0 | 108.4 | ||||
| 773 | P | 24.4 | Very low | 24.6 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | -132.5 | -174 | 102.6 | 38.5 | -28.5 | 0 | 0 | 0 | 113.2 | |||||
| 774 | S | 22 | Very low | 24.6 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -125.4 | 169.2 | -157.8 | 58.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 775 | L | 22 | Very low | 24.7 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 80.6 | 130.8 | 159.3 | -69.8 | 163.3 | 0 | 0 | 0 | 121.3 | ||||
| 776 | S | 20.7 | Very low | 24.8 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 70.4 | 150.8 | 163.2 | 75.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 777 | C | 24.9 | Very low | 25 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 86% | 0.858 | 77% | 0.774 | S | S | * | * | cis | -138.7 | 173.4 | 7.2 | -151.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 778 | L | 22.6 | Very low | 25.5 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 164.9 | 175.1 | -76.3 | 161.4 | 0 | 0 | 0 | 111.7 | ||||
| 779 | P | 26 | Very low | 25.9 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | -144.6 | 136.6 | 91.6 | 32.8 | -14.9 | 0 | 0 | 0 | 116.2 | |||||
| 780 | L | 22.5 | Very low | 25.9 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | trans | 59.9 | 152.4 | 149.3 | -81.5 | 70 | 0 | 0 | 0 | 119 | ||||
| 781 | S | 24.8 | Very low | 26.2 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | cis | -143.1 | 172.5 | 6.6 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 782 | V | 23.2 | Very low | 27 | Very low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | trans | -63.2 | 141.8 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 783 | Y | 27.6 | Very low | 27.3 | Very low | 214 Ų | 214 | 113.5 Ų | 113.5 | 84% | 0.839 | 66% | 0.655 | S | S | * | * | trans | -167.9 | 147.1 | 135.3 | -99.1 | -62 | 0 | 0 | 0 | 111.3 | ||||
| 784 | D | 24 | Very low | 28 | Very low | 139 Ų | 139 | 109.2 Ų | 109.2 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | trans | -71.3 | 149.9 | 179 | -69.4 | -72.5 | 0 | 0 | 0 | 113.1 | ||||
| 785 | H | 27.9 | Very low | 28.6 | Very low | 187 Ų | 187 | 106.5 Ų | 106.5 | 87% | 0.866 | 61% | 0.609 | S | S | * | * | trans | -101.1 | 92.9 | 173.8 | -67.8 | -14.2 | 0 | 0 | 0 | 110.6 | ||||
| 786 | S | 24.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 103.1 Ų | 103.1 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | trans | -57.6 | 149.8 | 159.9 | 53 | 0 | 0 | 0 | 0 | 110.9 | L788 | S786-L788 PolarHBondContact O-N 2.87Š| ||
| 787 | P | 30.9 | Very low | 29.9 | Very low | 91 Ų | 91 | 102.4 Ų | 102.4 | 59% | 0.591 | 58% | 0.583 | S | S | * | * | trans | -59 | 133.2 | 175.6 | 25.6 | -34.4 | 0 | 0 | 0 | 111.3 | V789 | P787-V789 PolarHBondContact O-N 3.07Š| ||
| 788 | L | 33 | Very low | 30.2 | Very low | 175 Ų | 175 | 101.4 Ų | 101.4 | 92% | 0.916 | 58% | 0.576 | S | S | * | * | trans | -73.8 | 94.8 | 179.6 | -77.5 | 165.4 | 0 | 0 | 0 | 110.7 | S786 L790 | S786-L788 PolarHBondContact O-N 2.87Å; L788-L790 PolarHBondContact O-N 2.96Å; L788-L790 VanDerWaalsContact O-N 3.08Å | ||
| 789 | V | 33.1 | Very low | 30.8 | Very low | 41 Ų | 41 | 101.1 Ų | 101.1 | 25% | 0.248 | 58% | 0.581 | C | S | . | * | trans | -76.5 | 93.5 | 178.6 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | P787 S791 I906 H912 | P787-V789 PolarHBondContact O-N 3.07Å; V789-S791 PolarHBondContact O-N 3.36Å; V789-S791 VanDerWaalsContact O-N 3.14Å; V789-S791 PolarHBondContact O-OG 3.28Å; V789-I906 HydrophobicContact CG1-CD1 4.05Å; V789-I906 HydrophobicContact CG2-CD1 3.74Å; V789-H912 HydrophobicContact CG1-CB 4.26Å | ||
| 790 | L | 34.2 | Very low | 31.5 | Very low | 44 Ų | 44 | 99.9 Ų | 99.9 | 23% | 0.23 | 57% | 0.568 | C | S | . | * | trans | -60.6 | 116.6 | 169.2 | -178 | 64.7 | 0 | 0 | 0 | 109.5 | L788 I792 V911 H912 I964 | L788-L790 PolarHBondContact O-N 2.96Å; L788-L790 VanDerWaalsContact O-N 3.08Å; L790-I792 HydrophobicContact CD2-CD1 4.17Å; L790-I792 HydrophobicContact CD2-CG1 4.26Å; L790-I792 HydrophobicContact CG-CD1 4.48Å; L790-I792 HydrophobicContact CG-CG1 4.03Å; L790-V911 HydrophobicContact CD2-CG1 4.36Å; L790-V911 HydrophobicContact CD2-CG2 4.33Å; L790-V911 HydrophobicContact CG-CG1 4.45Å; L790-H912 PolarHBondContact O-N 2.82Å; L790-I964 HydrophobicContact CD1-CD1 3.68Å; L790-I964 HydrophobicContact CD1-CG1 3.92Å | ||
| 791 | S | 33.2 | Very low | 32.6 | Very low | 20 Ų | 20 | 97.6 Ų | 97.6 | 14% | 0.14 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 91.6 | -174.2 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | V789 A793 H912 | V789-S791 PolarHBondContact O-N 3.36Å; V789-S791 VanDerWaalsContact O-N 3.14Å; V789-S791 PolarHBondContact O-OG 3.28Å; S791-A793 PolarHBondContact O-N 2.8Å; S791-H912 WeakPolarHBondContact CA-O 3.39Å |
| 792 | I | 37.9 | Very low | 33.5 | Very low | 52 Ų | 52 | 98.8 Ų | 98.8 | 27% | 0.267 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.8 | -176.1 | -49.1 | -178.9 | 0 | 0 | 0 | 109.7 | L790 I794 V911 H912 I913 H914 | L790-I792 HydrophobicContact CD2-CD1 4.17Å; L790-I792 HydrophobicContact CD2-CG1 4.26Å; L790-I792 HydrophobicContact CG-CD1 4.48Å; L790-I792 HydrophobicContact CG-CG1 4.03Å; I792-I794 HydrophobicContact CG2-CD1 4.39Å; I792-I794 HydrophobicContact CG2-CG1 3.77Å; I792-V911 HydrophobicContact CD1-CG1 4.07Å; I792-V911 HydrophobicContact CG1-CG1 4.2Å; I792-H912 PolarHBondContact N-O 2.68Å; I792-I913 HydrophobicContact CB-CG1 4.41Å; I792-I913 WeakPolarHBondContact O-CA 3.44Å; I792-H914 PolarHBondContact O-N 2.97Å |
| 793 | A | 33.1 | Very low | 34.5 | Very low | 50 Ų | 50 | 95.8 Ų | 95.8 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 109.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S791 | S791-A793 PolarHBondContact O-N 2.8Å |
| 794 | I | 40.4 | Very low | 35.2 | Very low | 33 Ų | 33 | 87.4 Ų | 87.4 | 17% | 0.169 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 99.4 | 178.9 | -55.4 | 179.6 | 0 | 0 | 0 | 108.8 | I792 C796 V807 I913 H914 | I792-I794 HydrophobicContact CG2-CD1 4.39Å; I792-I794 HydrophobicContact CG2-CG1 3.77Å; I794-C796 PolarHBondContact O-N 3.09Å; I794-V807 HydrophobicContact CD1-CG1 4.27Å; I794-I913 HydrophobicContact CD1-CD1 4.48Å; I794-I913 HydrophobicContact CD1-CG2 3.97Å; I794-I913 HydrophobicContact CG1-CG2 4.23Å; I794-H914 PolarHBondContact N-O 3Å |
| 795 | A | 34.5 | Very low | 36.2 | Very low | 42 Ų | 42 | 86.4 Ų | 86.4 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | trans | -91.2 | 86.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | I797 L921 | A795-I797 PolarHBondContact O-N 3.04Å; A795-I797 VanDerWaalsContact O-N 3.13Å; A795-L921 HydrophobicContact CB-CD2 3.87Å | ||
| 796 | C | 36.9 | Very low | 37.2 | Very low | 79 Ų | 79 | 80.2 Ų | 80.2 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | trans | -69.8 | 107.2 | 170.1 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | I794 | I794-C796 PolarHBondContact O-N 3.09Š| ||
| 797 | I | 31.6 | Very low | 38.3 | Very low | 102 Ų | 102 | 79 Ų | 79 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | trans | -81.9 | 154.4 | 151.2 | -52.8 | 177.5 | 0 | 0 | 0 | 107 | A795 H918 | A795-I797 PolarHBondContact O-N 3.04Å; A795-I797 VanDerWaalsContact O-N 3.13Å; I797-H918 HydrophobicContact CG1-CB 4.32Å | ||
| 798 | C | 32.4 | Very low | 39.3 | Very low | 105 Ų | 105 | 77.4 Ų | 77.4 | 71% | 0.709 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 76.2 | 143 | -178.5 | -57 | 0 | 0 | 0 | 0 | 116.2 | D800 | C798-D800 HydrophobicContact CB-CB 4.38Å; C798-D800 PolarHBondContact O-N 3.09Å; C798-D800 VanDerWaalsContact O-N 3.11Å |
| 799 | T | 35.5 | Very low | 40.2 | Very low | 152 Ų | 152 | 72.3 Ų | 72.3 | 93% | 0.933 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -78.4 | 24.5 | 175.4 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 800 | D | 39.8 | Very low | 41.1 | Very low | 84 Ų | 84 | 76 Ų | 76 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | trans | -96.3 | 106.7 | -167.5 | -161.1 | -28.3 | 0 | 0 | 0 | 111.9 | C798 L802 A803 A804 | C798-D800 HydrophobicContact CB-CB 4.38Å; C798-D800 PolarHBondContact O-N 3.09Å; C798-D800 VanDerWaalsContact O-N 3.11Å; D800-L802 PolarHBondContact O-N 3.37Å; D800-L802 WeakPolarHBondContact OD1-CB 3.41Å; D800-L802 PolarHBondContact OD1-N 3.16Å; D800-A803 PolarHBondContact O-N 2.75Å; D800-A804 PolarHBondContact O-N 3.36Å | ||
| 801 | T | 45.2 | Very low | 41.8 | Very low | 116 Ų | 116 | 75.1 Ų | 75.1 | 71% | 0.712 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.9 | -27.1 | 177.6 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | H805 | T801-H805 WeakPolarHBondContact O-CB 3.49Å; T801-H805 PolarHBondContact O-N 3.04Å |
| 802 | L | 43.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 77.1 Ų | 77.1 | 70% | 0.696 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68 | -41.5 | 178.5 | -92 | 133.5 | 0 | 0 | 0 | 112 | D800 H805 A806 | D800-L802 PolarHBondContact O-N 3.37Å; D800-L802 WeakPolarHBondContact OD1-CB 3.41Å; D800-L802 PolarHBondContact OD1-N 3.16Å; L802-H805 PolarHBondContact O-N 2.88Å; L802-A806 WeakPolarHBondContact O-CB 3.26Å; L802-A806 PolarHBondContact O-N 3.16Å |
| 803 | A | 44.1 | Very low | 43.3 | Very low | 57 Ų | 57 | 78.2 Ų | 78.2 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D800 A806 V807 | D800-A803 PolarHBondContact O-N 2.75Å; A803-A806 PolarHBondContact O-N 2.96Å; A803-V807 PolarHBondContact O-N 3.18Å; A803-V807 VanDerWaalsContact O-N 3.13Å |
| 804 | A | 43.9 | Very low | 44 | Very low | 38 Ų | 38 | 77.4 Ų | 77.4 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D800 A806 V807 I808 | D800-A804 PolarHBondContact O-N 3.36Å; A804-A806 PolarHBondContact O-N 3.11Å; A804-V807 PolarHBondContact O-N 3.26Å; A804-I808 WeakPolarHBondContact O-CB 3.38Å; A804-I808 WeakPolarHBondContact O-CD1 3.47Å; A804-I808 VanDerWaalsContact O-CG1 3.26Å; A804-I808 WeakPolarHBondContact O-CG1 3.5Å; A804-I808 PolarHBondContact O-N 3.46Å |
| 805 | H | 44.9 | Very low | 44.1 | Very low | 118 Ų | 118 | 76 Ų | 76 | 55% | 0.546 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 175.6 | -120.4 | -158.8 | 0 | 0 | 0 | 112.3 | T801 L802 I808 N809 | T801-H805 WeakPolarHBondContact O-CB 3.49Å; T801-H805 PolarHBondContact O-N 3.04Å; L802-H805 PolarHBondContact O-N 2.88Å; H805-I808 PolarHBondContact O-N 3.31Å; H805-N809 VanDerWaalsContact O-CB 3.25Å; H805-N809 WeakPolarHBondContact O-CB 3.45Å; H805-N809 PolarHBondContact O-N 3.26Å; H805-N809 PolarHBondContact O-ND2 2.82Å; H805-N809 VanDerWaalsContact O-ND2 3.13Å |
| 806 | A | 48.3 | Very low | 44.8 | Very low | 57 Ų | 57 | 75.6 Ų | 75.6 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L802 A803 A804 N809 L810 | L802-A806 WeakPolarHBondContact O-CB 3.26Å; L802-A806 PolarHBondContact O-N 3.16Å; A803-A806 PolarHBondContact O-N 2.96Å; A804-A806 PolarHBondContact O-N 3.11Å; A806-N809 PolarHBondContact O-N 3.07Å; A806-L810 VanDerWaalsContact O-CB 3.29Å; A806-L810 WeakPolarHBondContact O-CB 3.38Å; A806-L810 PolarHBondContact O-N 2.66Å |
| 807 | V | 48.6 | Very low | 45.5 | Very low | 69 Ų | 69 | 73.5 Ų | 73.5 | 42% | 0.418 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 177.1 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | I794 A803 A804 N809 L810 L811 | I794-V807 HydrophobicContact CD1-CG1 4.27Å; A803-V807 PolarHBondContact O-N 3.18Å; A803-V807 VanDerWaalsContact O-N 3.13Å; A804-V807 PolarHBondContact O-N 3.26Å; V807-N809 VanDerWaalsContact C-N 3.35Å; V807-N809 PolarHBondContact O-N 3.32Å; V807-L810 PolarHBondContact O-N 3.11Å; V807-L811 HydrophobicContact CG1-CD1 4.18Å; V807-L811 WeakPolarHBondContact O-CB 3.43Å; V807-L811 WeakPolarHBondContact O-CG 3.19Å; V807-L811 PolarHBondContact O-N 3.13Å |
| 808 | I | 51.2 | Low | 46.5 | Very low | 58 Ų | 58 | 70.1 Ų | 70.1 | 30% | 0.297 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 175.3 | -75.8 | 167.4 | 0 | 0 | 0 | 111.2 | A804 H805 S812 M818 | A804-I808 WeakPolarHBondContact O-CB 3.38Å; A804-I808 WeakPolarHBondContact O-CD1 3.47Å; A804-I808 VanDerWaalsContact O-CG1 3.26Å; A804-I808 WeakPolarHBondContact O-CG1 3.5Å; A804-I808 PolarHBondContact O-N 3.46Å; H805-I808 PolarHBondContact O-N 3.31Å; I808-S812 WeakPolarHBondContact O-CB 3.22Å; I808-S812 PolarHBondContact O-N 3.39Å; I808-M818 HydrophobicContact CB-CE 4.13Å; I808-M818 HydrophobicContact CG1-CE 3.91Å; I808-M818 HydrophobicContact CG2-CE 3.93Å |
| 809 | N | 50.9 | Low | 47.2 | Very low | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 179 | -69.8 | -25.7 | 0 | 0 | 0 | 112 | H805 A806 V807 S812 C813 | H805-N809 VanDerWaalsContact O-CB 3.25Å; H805-N809 WeakPolarHBondContact O-CB 3.45Å; H805-N809 PolarHBondContact O-N 3.26Å; H805-N809 PolarHBondContact O-ND2 2.82Å; H805-N809 VanDerWaalsContact O-ND2 3.13Å; A806-N809 PolarHBondContact O-N 3.07Å; V807-N809 VanDerWaalsContact C-N 3.35Å; V807-N809 PolarHBondContact O-N 3.32Å; N809-S812 CarbonylContact O-C 3.43Å; N809-S812 WeakPolarHBondContact O-CB 3.44Å; N809-S812 PolarHBondContact O-N 3.42Å; N809-C813 WeakPolarHBondContact O-CB 3.37Å; N809-C813 PolarHBondContact O-N 3.13Å; N809-C813 PolarHBondContact O-SG 2.93Å |
| 810 | L | 52.6 | Low | 47.6 | Very low | 120 Ų | 120 | 61.8 Ų | 61.8 | 63% | 0.628 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68 | -39.2 | 178.3 | -154.1 | 157.5 | 0 | 0 | 0 | 111.1 | A806 V807 C813 A814 | A806-L810 VanDerWaalsContact O-CB 3.29Å; A806-L810 WeakPolarHBondContact O-CB 3.38Å; A806-L810 PolarHBondContact O-N 2.66Å; V807-L810 PolarHBondContact O-N 3.11Å; L810-C813 PolarHBondContact O-N 2.87Å; L810-A814 PolarHBondContact O-N 3.48Å |
| 811 | L | 49.7 | Very low | 47.7 | Very low | 25 Ų | 25 | 60.9 Ų | 60.9 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 168.7 | -71.3 | 171.1 | 0 | 0 | 0 | 112.1 | V807 C813 A814 G815 F816 M818 I913 | V807-L811 HydrophobicContact CG1-CD1 4.18Å; V807-L811 WeakPolarHBondContact O-CB 3.43Å; V807-L811 WeakPolarHBondContact O-CG 3.19Å; V807-L811 PolarHBondContact O-N 3.13Å; L811-C813 PolarHBondContact O-N 3.37Å; L811-A814 PolarHBondContact O-N 2.97Å; L811-G815 PolarHBondContact O-N 3.36Å; L811-F816 HydrophobicContact CB-CB 4.46Å; L811-F816 HydrophobicContact CB-CD2 4.38Å; L811-F816 HydrophobicContact CD2-CD2 3.92Å; L811-F816 HydrophobicContact CD2-CE2 4.33Å; L811-F816 WeakPolarHBondContact O-CD2 3.3Å; L811-F816 PolarHBondContact O-N 2.98Å; L811-M818 HydrophobicContact CB-CE 4.49Å; L811-M818 HydrophobicContact CB-SD 4.32Å; L811-M818 HydrophobicContact CD1-CE 4.38Å; L811-I913 HydrophobicContact CD1-CD1 4.25Å |
| 812 | S | 53.4 | Low | 47.4 | Very low | 62 Ų | 62 | 61.7 Ų | 61.7 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 174.9 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | I808 N809 G815 | I808-S812 WeakPolarHBondContact O-CB 3.22Å; I808-S812 PolarHBondContact O-N 3.39Å; N809-S812 CarbonylContact O-C 3.43Å; N809-S812 WeakPolarHBondContact O-CB 3.44Å; N809-S812 PolarHBondContact O-N 3.42Å; S812-G815 WeakPolarHBondContact O-CA 3.48Å; S812-G815 PolarHBondContact O-N 3.13Å; S812-G815 VanDerWaalsContact O-N 3.1Å |
| 813 | C | 49.3 | Very low | 46.9 | Very low | 75 Ų | 75 | 59.3 Ų | 59.3 | 51% | 0.507 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 175.3 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | N809 L810 L811 G815 | N809-C813 WeakPolarHBondContact O-CB 3.37Å; N809-C813 PolarHBondContact O-N 3.13Å; N809-C813 PolarHBondContact O-SG 2.93Å; L810-C813 PolarHBondContact O-N 2.87Å; L811-C813 PolarHBondContact O-N 3.37Å; C813-G815 PolarHBondContact O-N 2.83Å |
| 814 | A | 46.9 | Very low | 46.2 | Very low | 33 Ų | 33 | 63.1 Ų | 63.1 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.1 | -14.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L810 L811 F816 | L810-A814 PolarHBondContact O-N 3.48Å; L811-A814 PolarHBondContact O-N 2.97Å; A814-F816 HydrophobicContact CB-CD2 4.02Å; A814-F816 HydrophobicContact CB-CE2 4Å |
| 815 | G | 43 | Very low | 45.5 | Very low | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.1 | 13.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L811 S812 C813 A870 T871 | L811-G815 PolarHBondContact O-N 3.36Å; S812-G815 WeakPolarHBondContact O-CA 3.48Å; S812-G815 PolarHBondContact O-N 3.13Å; S812-G815 VanDerWaalsContact O-N 3.1Å; C813-G815 PolarHBondContact O-N 2.83Å; G815-A870 CarbonylContact O-C 3.59Å; G815-A870 VanDerWaalsContact O-CA 3.23Å; G815-A870 WeakPolarHBondContact O-CA 3.5Å; G815-A870 WeakPolarHBondContact O-CB 3.33Å; G815-T871 PolarHBondContact O-N 3.47Å |
| 816 | F | 49.2 | Very low | 44.6 | Very low | 34 Ų | 34 | 65.9 Ų | 65.9 | 15% | 0.149 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.2 | 177.9 | -64.5 | -74.1 | 0 | 0 | 0 | 111.4 | L811 A814 M818 L868 A870 V911 | L811-F816 HydrophobicContact CB-CB 4.46Å; L811-F816 HydrophobicContact CB-CD2 4.38Å; L811-F816 HydrophobicContact CD2-CD2 3.92Å; L811-F816 HydrophobicContact CD2-CE2 4.33Å; L811-F816 WeakPolarHBondContact O-CD2 3.3Å; L811-F816 PolarHBondContact O-N 2.98Å; A814-F816 HydrophobicContact CB-CD2 4.02Å; A814-F816 HydrophobicContact CB-CE2 4Å; F816-M818 PolarHBondContact O-N 3.34Å; F816-L868 HydrophobicContact CB-CD1 4.06Å; F816-L868 HydrophobicContact CD1-CB 4.47Å; F816-A870 HydrophobicContact CD1-CB 4.09Å; F816-A870 HydrophobicContact CE1-CB 4.23Å; F816-V911 HydrophobicContact CD1-CG2 4.45Å; F816-V911 HydrophobicContact CE1-CB 4.22Å; F816-V911 HydrophobicContact CE1-CG2 3.54Å; F816-V911 HydrophobicContact CZ-CG2 3.98Å |
| 817 | C | 51.6 | Low | 43.5 | Very low | 35 Ų | 35 | 72 Ų | 72 | 24% | 0.236 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 111.5 | 178.6 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | A819 T869 T871 | C817-A819 PolarHBondContact O-N 2.81Å; C817-T869 WeakPolarHBondContact CA-O 3.03Å; C817-T869 WeakPolarHBondContact CB-O 3.17Å; C817-T869 PolarHBondContact N-O 3.2Å; C817-T871 HydrophobicContact CB-CG2 3.78Å |
| 818 | M | 53.5 | Low | 42.4 | Very low | 31 Ų | 31 | 77.7 Ų | 77.7 | 15% | 0.153 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 10.8 | -177 | -54.5 | -56.8 | -85.8 | 0 | 0 | 113.6 | I808 L811 F816 S820 F821 L868 | I808-M818 HydrophobicContact CB-CE 4.13Å; I808-M818 HydrophobicContact CG1-CE 3.91Å; I808-M818 HydrophobicContact CG2-CE 3.93Å; L811-M818 HydrophobicContact CB-CE 4.49Å; L811-M818 HydrophobicContact CB-SD 4.32Å; L811-M818 HydrophobicContact CD1-CE 4.38Å; F816-M818 PolarHBondContact O-N 3.34Å; M818-S820 PolarHBondContact O-N 3.37Å; M818-F821 HydrophobicContact CB-CD2 4.46Å; M818-F821 HydrophobicContact CE-CD2 3.64Å; M818-F821 HydrophobicContact CE-CE2 3.41Å; M818-F821 VanDerWaalsContact CE-CE2 3.41Å; M818-F821 HydrophobicContact CE-CZ 4.25Å; M818-F821 WeakPolarHBondContact O-CB 3.14Å; M818-F821 PolarHBondContact O-N 3.49Å; M818-F821 HydrophobicContact SD-CD2 4.28Å; M818-F821 HydrophobicContact SD-CE2 4.25Å; M818-L868 HydrophobicContact CE-CD1 4.46Å; M818-L868 HydrophobicContact SD-CD1 3.72Å |
| 819 | A | 45.7 | Very low | 41.2 | Very low | 54 Ų | 54 | 80.4 Ų | 80.4 | 45% | 0.446 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.1 | -34.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | C817 F821 I822 S823 | C817-A819 PolarHBondContact O-N 2.81Å; A819-F821 PolarHBondContact O-N 3.3Å; A819-I822 PolarHBondContact O-N 2.91Å; A819-S823 PolarHBondContact O-N 3.11Å; A819-S823 PolarHBondContact O-OG 2.97Å |
| 820 | S | 44.5 | Very low | 40 | Very low | 28 Ų | 28 | 83 Ų | 83 | 20% | 0.196 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.6 | -19.7 | 176.7 | -48.3 | 0 | 0 | 0 | 0 | 114.5 | M818 L866 V867 | M818-S820 PolarHBondContact O-N 3.37Å; S820-L866 VanDerWaalsContact CB-CD2 3.47Å; S820-V867 WeakPolarHBondContact CB-O 3.48Å; S820-V867 PolarHBondContact OG-O 3.38Å |
| 821 | F | 42.3 | Very low | 38.7 | Very low | 64 Ų | 64 | 85.3 Ų | 85.3 | 28% | 0.281 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -80.6 | -24.4 | 173.5 | -81.1 | -88.6 | 0 | 0 | 0 | 112.9 | M818 A819 L866 L868 L915 | M818-F821 HydrophobicContact CB-CD2 4.46Å; M818-F821 HydrophobicContact CE-CD2 3.64Å; M818-F821 HydrophobicContact CE-CE2 3.41Å; M818-F821 VanDerWaalsContact CE-CE2 3.41Å; M818-F821 HydrophobicContact CE-CZ 4.25Å; M818-F821 WeakPolarHBondContact O-CB 3.14Å; M818-F821 PolarHBondContact O-N 3.49Å; M818-F821 HydrophobicContact SD-CD2 4.28Å; M818-F821 HydrophobicContact SD-CE2 4.25Å; A819-F821 PolarHBondContact O-N 3.3Å; F821-L866 HydrophobicContact CD2-CD2 4.49Å; F821-L866 HydrophobicContact CE2-CD2 4.46Å; F821-L868 HydrophobicContact CD2-CD2 4.04Å; F821-L868 HydrophobicContact CE2-CD1 4.25Å; F821-L868 HydrophobicContact CE2-CD2 3.91Å; F821-L915 HydrophobicContact CE1-CD1 3.61Å; F821-L915 HydrophobicContact CZ-CD1 3.96Å |
| 822 | I | 37.8 | Very low | 37.7 | Very low | 134 Ų | 134 | 92.1 Ų | 92.1 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -89.6 | -25.2 | -177 | -57.3 | 175.4 | 0 | 0 | 0 | 110.7 | A819 T825 | A819-I822 PolarHBondContact O-N 2.91Å; I822-T825 PolarHBondContact O-OG1 3.35Å |
| 823 | S | 32.9 | Very low | 36.4 | Very low | 82 Ų | 82 | 99.4 Ų | 99.4 | 57% | 0.573 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 3.8 | -172.6 | 53.7 | 0 | 0 | 0 | 0 | 116.3 | A819 | A819-S823 PolarHBondContact O-N 3.11Å; A819-S823 PolarHBondContact O-OG 2.97Å |
| 824 | K | 30 | Very low | 35.3 | Very low | 137 Ų | 137 | 100.2 Ų | 100.2 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 18.7 | 174 | -83.5 | -167.1 | 172.1 | -172 | 0 | 114.4 | ||
| 825 | T | 28.5 | Very low | 34.3 | Very low | 125 Ų | 125 | 104.7 Ų | 104.7 | 77% | 0.767 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -114.8 | 18.9 | 177.3 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | I822 | I822-T825 PolarHBondContact O-OG1 3.35Š|
| 826 | S | 27.2 | Very low | 33.5 | Very low | 90 Ų | 90 | 113.1 Ų | 113.1 | 63% | 0.629 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -147.3 | 153.4 | 162.4 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 827 | E | 24.7 | Very low | 32.4 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 86% | 0.86 | 64% | 0.638 | S | S | * | * | trans | 88.1 | 55.7 | -176.7 | -56.6 | -179 | -168.7 | 0 | 0 | 117.2 | ||||
| 828 | H | 25.5 | Very low | 31.3 | Very low | 189 Ų | 189 | 129 Ų | 129 | 88% | 0.875 | 67% | 0.665 | S | S | * | * | trans | -136.2 | 143.6 | 138.3 | -94.2 | -62 | 0 | 0 | 0 | 109.1 | ||||
| 829 | S | 25.7 | Very low | 30.1 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 67.5 | 132.2 | -168.1 | 87.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 830 | V | 26.9 | Very low | 29.3 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | cis | -135.7 | 129.4 | -10.5 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | H832 | V830-H832 HydrophobicContact CG1-CB 4.04Š| ||
| 831 | D | 24.6 | Very low | 28.5 | Very low | 168 Ų | 168 | 146 Ų | 146 | 90% | 0.898 | 73% | 0.727 | S | S | * | * | trans | -129.8 | 102 | 158.7 | -146.2 | -14.9 | 0 | 0 | 0 | 108.7 | ||||
| 832 | H | 28.4 | Very low | 27.8 | Very low | 168 Ų | 168 | 151 Ų | 151 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | -146.6 | 122.3 | -175.6 | -136.8 | 16.2 | 0 | 0 | 0 | 109.1 | V830 | V830-H832 HydrophobicContact CG1-CB 4.04Š| ||
| 833 | R | 26.7 | Very low | 27.1 | Very low | 216 Ų | 216 | 154.7 Ų | 154.7 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | 70.5 | 96.2 | 174.8 | -90.7 | -172.4 | 167 | 124 | 2.4 | 117.9 | ||||
| 834 | S | 25.2 | Very low | 26.9 | Very low | 91 Ų | 91 | 156.2 Ų | 156.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | -11.2 | 134.8 | 105.4 | 176.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 835 | D | 26.5 | Very low | 26.6 | Very low | 127 Ų | 127 | 156 Ų | 156 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | -164.7 | 130.2 | 106.8 | -82.7 | -23.4 | 0 | 0 | 0 | 111.5 | |||||
| 836 | H | 26.7 | Very low | 26.3 | Very low | 181 Ų | 181 | 157.2 Ų | 157.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -63.4 | 134 | 154.1 | -87.2 | -85.7 | 0 | 0 | 0 | 108.1 | ||||
| 837 | Y | 25.2 | Very low | 26.3 | Very low | 232 Ų | 232 | 158.5 Ų | 158.5 | 91% | 0.91 | 76% | 0.76 | S | S | * | * | trans | -165.9 | 153.2 | 134.3 | -103.5 | -65.7 | 0 | 0 | 0 | 110.4 | ||||
| 838 | H | 28.1 | Very low | 26.2 | Very low | 171 Ų | 171 | 154.3 Ų | 154.3 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -80.7 | 134.1 | 174.7 | -110 | -80.9 | 0 | 0 | 0 | 111.4 | ||||
| 839 | D | 29.3 | Very low | 26.2 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 49.9 | 106.7 | 156.9 | -66.1 | -67.3 | 0 | 0 | 0 | 121.5 | ||
| 840 | Y | 29.2 | Very low | 26.1 | Very low | 205 Ų | 205 | 156.1 Ų | 156.1 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 55.9 | 79 | 136.7 | -74.8 | -81.3 | 0 | 0 | 0 | 121.2 | ||||
| 841 | H | 26.8 | Very low | 26.2 | Very low | 146 Ų | 146 | 155.2 Ų | 155.2 | 68% | 0.676 | 75% | 0.745 | S | S | * | * | 63.4 | 122.4 | 119.6 | -91.9 | -93.9 | 0 | 0 | 0 | 122.4 | |||||
| 842 | H | 27 | Very low | 26.2 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | trans | 72.9 | 147.7 | 155.2 | -60.2 | -49.3 | 0 | 0 | 0 | 117.1 | ||||
| 843 | R | 24.8 | Very low | 25.9 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | cis | -152.5 | 172.1 | 11.9 | -145.2 | -174.4 | -176.8 | -175.5 | 0.8 | 110.9 | ||||
| 844 | N | 27.4 | Very low | 25.9 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 61% | 0.61 | 74% | 0.738 | S | S | * | * | trans | 72.3 | 149.6 | 158.5 | -72.8 | 10.1 | 0 | 0 | 0 | 118 | ||||
| 845 | Q | 23.8 | Very low | 25.7 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | cis | -169.4 | 154.5 | -30 | -126.9 | 173.3 | -24.7 | 0 | 0 | 111.3 | ||||
| 846 | H | 23.5 | Very low | 26.1 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | 67.9 | 151.6 | 151.8 | -75 | -60.4 | 0 | 0 | 0 | 123.3 | ||||
| 847 | T | 26.4 | Very low | 26 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | 57.7 | 112.5 | 158 | 45.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 848 | S | 23.2 | Very low | 26.1 | Very low | 96 Ų | 96 | 146 Ų | 146 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | cis | 71.8 | 125.8 | 30.8 | 96.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 849 | L | 24.5 | Very low | 26 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | 164.6 | 156.5 | 126 | -84.1 | 169.3 | 0 | 0 | 0 | 108.3 | |||||
| 850 | K | 23.8 | Very low | 26 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | cis | -169.7 | -177.9 | -43.7 | -116.1 | -152.3 | 173.3 | -178 | 0 | 107.7 | ||||
| 851 | P | 30.1 | Very low | 25.8 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -119.4 | -167.4 | -151.6 | 46.7 | -38.8 | 0 | 0 | 0 | 115.6 | ||||
| 852 | S | 23.1 | Very low | 26.1 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -147.8 | 105.9 | 154.7 | -64.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 853 | T | 23.8 | Very low | 26.4 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | 67.4 | 131.8 | 97.6 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 854 | L | 24.8 | Very low | 27.1 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | cis | -134.4 | 177.5 | 21.6 | -84.6 | 98.1 | 0 | 0 | 0 | 115.6 | ||||
| 855 | Y | 22.9 | Very low | 27.8 | Very low | 223 Ų | 223 | 132.2 Ų | 132.2 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | trans | -107.1 | -167.8 | 176.3 | -87 | -107 | 0 | 0 | 0 | 110.4 | ||||
| 856 | P | 33.8 | Very low | 28.9 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | -140.8 | -179.1 | -66.1 | 44.2 | -26.7 | 0 | 0 | 0 | 115.4 | |||||
| 857 | S | 25.1 | Very low | 30.1 | Very low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | trans | -175.7 | 127.2 | 135.2 | -103.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 858 | E | 26.8 | Very low | 30.9 | Very low | 176 Ų | 176 | 116.3 Ų | 116.3 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | 63.9 | 137.6 | 84.6 | -66.7 | 174 | 164.8 | 0 | 0 | 114.8 | |||||
| 859 | E | 26.2 | Very low | 31.9 | Very low | 176 Ų | 176 | 114.5 Ų | 114.5 | 82% | 0.822 | 63% | 0.633 | S | S | * | * | cis | -162.9 | 137.3 | -27.9 | -161.1 | 178.5 | -123.1 | 0 | 0 | 107.5 | ||||
| 860 | N | 28.8 | Very low | 32.7 | Very low | 163 Ų | 163 | 108.3 Ų | 108.3 | 87% | 0.872 | 61% | 0.605 | S | S | * | * | trans | -176.3 | 127.6 | 163 | -110.5 | -67.5 | 0 | 0 | 0 | 112.2 | ||||
| 861 | S | 26.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 103.4 Ų | 103.4 | 81% | 0.811 | 59% | 0.59 | S | S | * | * | trans | -130.9 | 117.9 | 172.5 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 862 | T | 32.8 | Very low | 33.6 | Very low | 122 Ų | 122 | 104.3 Ų | 104.3 | 75% | 0.748 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 134.2 | 178.4 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 863 | S | 33.6 | Very low | 34 | Very low | 93 Ų | 93 | 102.9 Ų | 102.9 | 65% | 0.65 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 136.8 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 864 | D | 39.4 | Very low | 34.2 | Very low | 135 Ų | 135 | 102.1 Ų | 102.1 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 144.5 | 180 | -64.9 | -43.6 | 0 | 0 | 0 | 114.2 | ||
| 865 | P | 41.7 | Very low | 34.3 | Very low | 39 Ų | 39 | 99.7 Ų | 99.7 | 25% | 0.253 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 166.4 | 173.7 | 26.2 | -33.2 | 0 | 0 | 0 | 113.7 | H912 | P865-H912 WeakPolarHBondContact CG-ND1 3.34Š|
| 866 | L | 46.4 | Very low | 34.5 | Very low | 28 Ų | 28 | 93.3 Ų | 93.3 | 15% | 0.147 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117 | 178 | -153 | 159.3 | 0 | 0 | 0 | 109 | S820 F821 L868 I913 L915 | S820-L866 VanDerWaalsContact CB-CD2 3.47Å; F821-L866 HydrophobicContact CD2-CD2 4.49Å; F821-L866 HydrophobicContact CE2-CD2 4.46Å; L866-L868 HydrophobicContact CD2-CD2 3.93Å; L866-I913 PolarHBondContact N-O 3.36Å; L866-I913 PolarHBondContact O-N 3.12Å; L866-L915 HydrophobicContact CD1-CD1 3.99Å |
| 867 | V | 48.2 | Very low | 34.1 | Very low | 39 Ų | 39 | 94.1 Ų | 94.1 | 24% | 0.236 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.5 | -175.6 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | S820 Q910 V911 | S820-V867 WeakPolarHBondContact CB-O 3.48Å; S820-V867 PolarHBondContact OG-O 3.38Å; V867-Q910 HydrophobicContact CG1-CB 4.11Å; V867-V911 WeakPolarHBondContact CA-O 3.43Å |
| 868 | L | 44.3 | Very low | 34.1 | Very low | 0 Ų | 0 | 100.5 Ų | 100.5 | 0% | 0 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 138.7 | 169.5 | -60.8 | -166.5 | 0 | 0 | 0 | 111.3 | F816 M818 F821 L866 V911 I913 | F816-L868 HydrophobicContact CB-CD1 4.06Å; F816-L868 HydrophobicContact CD1-CB 4.47Å; M818-L868 HydrophobicContact CE-CD1 4.46Å; M818-L868 HydrophobicContact SD-CD1 3.72Å; F821-L868 HydrophobicContact CD2-CD2 4.04Å; F821-L868 HydrophobicContact CE2-CD1 4.25Å; F821-L868 HydrophobicContact CE2-CD2 3.91Å; L866-L868 HydrophobicContact CD2-CD2 3.93Å; L868-V911 PolarHBondContact N-O 2.9Å; L868-V911 PolarHBondContact O-N 2.91Å; L868-I913 HydrophobicContact CD1-CD1 3.48Å; L868-I913 VanDerWaalsContact CD1-CD1 3.48Å; L868-I913 HydrophobicContact CD1-CG1 4.46Å; L868-I913 HydrophobicContact CG-CD1 3.9Å; L868-I913 HydrophobicContact CG-CG1 4.41Å |
| 869 | T | 42.8 | Very low | 34 | Very low | 58 Ų | 58 | 98.9 Ų | 98.9 | 36% | 0.356 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.8 | 171.1 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | C817 Q910 | C817-T869 WeakPolarHBondContact CA-O 3.03Å; C817-T869 WeakPolarHBondContact CB-O 3.17Å; C817-T869 PolarHBondContact N-O 3.2Å; T869-Q910 HydrophobicContact CG2-CG 4.38Å |
| 870 | A | 41.5 | Very low | 33.9 | Very low | 25 Ų | 25 | 99.3 Ų | 99.3 | 21% | 0.207 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 141.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | G815 F816 | G815-A870 CarbonylContact O-C 3.59Å; G815-A870 VanDerWaalsContact O-CA 3.23Å; G815-A870 WeakPolarHBondContact O-CA 3.5Å; G815-A870 WeakPolarHBondContact O-CB 3.33Å; F816-A870 HydrophobicContact CD1-CB 4.09Å; F816-A870 HydrophobicContact CE1-CB 4.23Å |
| 871 | T | 39.6 | Very low | 33.6 | Very low | 83 Ų | 83 | 100.6 Ų | 100.6 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | trans | -131.3 | 98.8 | -179.3 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | G815 C817 | G815-T871 PolarHBondContact O-N 3.47Å; C817-T871 HydrophobicContact CB-CG2 3.78Å | ||
| 872 | W | 33.7 | Very low | 33.5 | Very low | 122 Ų | 122 | 100.5 Ų | 100.5 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | trans | -141.5 | 156 | 167.9 | -87.2 | 139.9 | 0 | 0 | 0 | 107.2 | L874 | W872-L874 HydrophobicContact CE3-CD2 4.37Å; W872-L874 HydrophobicContact CE3-CG 4.03Å; W872-L874 HydrophobicContact CH2-CD2 3.59Å; W872-L874 HydrophobicContact CH2-CG 3.92Å; W872-L874 HydrophobicContact CZ3-CB 4.39Å; W872-L874 HydrophobicContact CZ3-CD2 3.44Å; W872-L874 VanDerWaalsContact CZ3-CD2 3.44Å; W872-L874 HydrophobicContact CZ3-CG 3.58Å | ||
| 873 | P | 32.3 | Very low | 33.1 | Very low | 77 Ų | 77 | 98.5 Ų | 98.5 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | cis | -100.6 | 171 | 33.5 | 37.5 | -37.9 | 0 | 0 | 0 | 117.2 | ||||
| 874 | L | 27.4 | Very low | 32.7 | Very low | 103 Ų | 103 | 99.6 Ų | 99.6 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | trans | -64 | 139.8 | 172.7 | -84 | 161.9 | 0 | 0 | 0 | 111.9 | W872 T876 | W872-L874 HydrophobicContact CE3-CD2 4.37Å; W872-L874 HydrophobicContact CE3-CG 4.03Å; W872-L874 HydrophobicContact CH2-CD2 3.59Å; W872-L874 HydrophobicContact CH2-CG 3.92Å; W872-L874 HydrophobicContact CZ3-CB 4.39Å; W872-L874 HydrophobicContact CZ3-CD2 3.44Å; W872-L874 VanDerWaalsContact CZ3-CD2 3.44Å; W872-L874 HydrophobicContact CZ3-CG 3.58Å; L874-T876 PolarHBondContact O-N 3.39Å | ||
| 875 | P | 27.2 | Very low | 31.9 | Very low | 115 Ų | 115 | 98.9 Ų | 98.9 | 75% | 0.747 | 57% | 0.566 | S | S | * | * | trans | -83.1 | 73.7 | -170 | 33.7 | -37.4 | 0 | 0 | 0 | 114.2 | T877 | P875-T877 PolarHBondContact O-N 3.12Š| ||
| 876 | T | 27.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 102.4 Ų | 102.4 | 55% | 0.546 | 59% | 0.592 | S | S | . | * | trans | -77.6 | 74.1 | 165.7 | 52.9 | 0 | 0 | 0 | 0 | 112 | R511 L874 | R511-T876 PolarHBondContact NH2-OG1 3.46Å; L874-T876 PolarHBondContact O-N 3.39Å | ||
| 877 | T | 24.6 | Very low | 30 | Very low | 125 Ų | 125 | 105.9 Ų | 105.9 | 77% | 0.767 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 45.2 | 107.6 | 162.6 | 55.8 | 0 | 0 | 0 | 0 | 119 | P875 | P875-T877 PolarHBondContact O-N 3.12Š|
| 878 | R | 24.7 | Very low | 29.1 | Very low | 227 Ų | 227 | 109.6 Ų | 109.6 | 86% | 0.857 | 64% | 0.639 | S | S | * | * | trans | 69.2 | 115.6 | 169.7 | -51.6 | 178.2 | 176.9 | -164.3 | -2.4 | 115.4 | ||||
| 879 | L | 26.4 | Very low | 28.2 | Very low | 142 Ų | 142 | 112.4 Ų | 112.4 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | -155.8 | 168 | 108.9 | -85.1 | -160.7 | 0 | 0 | 0 | 110 | |||||
| 880 | F | 24.1 | Very low | 27.5 | Very low | 184 Ų | 184 | 114.1 Ų | 114.1 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -52 | 146.8 | -167.3 | -65.1 | -97.7 | 0 | 0 | 0 | 117.5 | ||
| 881 | M | 21.6 | Very low | 26.7 | Very low | 190 Ų | 190 | 120.3 Ų | 120.3 | 94% | 0.936 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 121.1 | 146.4 | -59.2 | -141.4 | 77.6 | 0 | 0 | 108.8 | ||
| 882 | S | 24.9 | Very low | 26.1 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 125.6 | 160.5 | 45.5 | 0 | 0 | 0 | 0 | 108.5 | S884 | S882-S884 PolarHBondContact O-N 3.14Š|
| 883 | G | 23.2 | Very low | 25.7 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 118.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | S885 | G883-S885 PolarHBondContact O-N 3.39Š|
| 884 | S | 25.8 | Very low | 25.5 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -78.4 | 94.4 | 165.1 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | S882 S886 | S882-S884 PolarHBondContact O-N 3.14Å; S884-S886 PolarHBondContact O-N 2.94Å | ||
| 885 | S | 22 | Very low | 25.4 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -61.9 | 123.1 | 169.2 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | G883 | G883-S885 PolarHBondContact O-N 3.39Š| ||
| 886 | S | 25 | Very low | 25.1 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -130.9 | 104 | 164 | 41 | 0 | 0 | 0 | 0 | 108.7 | S884 | S884-S886 PolarHBondContact O-N 2.94Š| ||
| 887 | T | 24.2 | Very low | 25 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | -89.2 | 130.6 | 168.7 | 30.5 | 0 | 0 | 0 | 0 | 109 | E1273 | T887-E1273 WeakPolarHBondContact CB-OE1 3.35Å; T887-E1273 PolarHBondContact OG1-OE1 3.25Å | ||
| 888 | P | 29.3 | Very low | 25.1 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -105.3 | 128.4 | -179 | 35.5 | -30 | 0 | 0 | 0 | 112.5 | ||||
| 889 | I | 26 | Very low | 25 | Very low | 58 Ų | 58 | 128.4 Ų | 128.4 | 30% | 0.297 | 75% | 0.753 | S | S | . | * | trans | -151.4 | 158.9 | 171.6 | -4.6 | 173 | 0 | 0 | 0 | 111.2 | S1271 E1273 | I889-S1271 WeakPolarHBondContact CD1-OG 3.39Å; I889-S1271 WeakPolarHBondContact CG2-O 3.24Å; I889-S1271 WeakPolarHBondContact CG2-OG 3.32Å; I889-E1273 HydrophobicContact CD1-CB 3.79Å; I889-E1273 HydrophobicContact CD1-CG 3.45Å; I889-E1273 VanDerWaalsContact CD1-CG 3.45Å; I889-E1273 WeakPolarHBondContact CD1-OE2 3.21Å | ||
| 890 | P | 26.1 | Very low | 25 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | -134.3 | 155.6 | -83.1 | 42.2 | -29 | 0 | 0 | 0 | 116.4 | |||||
| 891 | N | 25.1 | Very low | 25.1 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 66.1 | 157.7 | 143.8 | -83.1 | 6.7 | 0 | 0 | 0 | 120.5 | ||||
| 892 | P | 28.1 | Very low | 25.3 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | -139 | -156.6 | -129.4 | 45.2 | -27 | 0 | 0 | 0 | 115.2 | |||||
| 893 | S | 23.8 | Very low | 25.4 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 86.8 | 90.8 | 159.7 | 69.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 894 | I | 28 | Very low | 25.8 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | -133.7 | 101.3 | 120.9 | -63.5 | -170.2 | 0 | 0 | 0 | 104.9 | |||||
| 895 | I | 25.9 | Very low | 25.9 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | 57.8 | 89 | 99.7 | -60.2 | 168.3 | 0 | 0 | 0 | 110.5 | |||||
| 896 | S | 22.3 | Very low | 26.5 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | 84.8 | 53.4 | 66.2 | 82.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 897 | S | 24 | Very low | 27.1 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | -155.4 | 139.4 | 150.8 | 52.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 898 | F | 26.6 | Very low | 27.7 | Very low | 200 Ų | 200 | 135 Ų | 135 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | cis | -125.2 | 167.8 | 30.5 | -81.9 | -107.2 | 0 | 0 | 0 | 113.8 | ||||
| 899 | K | 22.2 | Very low | 28.2 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -84.7 | 130.2 | 152.8 | -67.7 | 177.9 | 177.3 | -179.9 | 0 | 108.2 | ||||
| 900 | D | 27.6 | Very low | 28.9 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 70% | 0.697 | S | S | * | * | trans | -164.3 | 169.7 | 135.2 | -99.2 | -29.8 | 0 | 0 | 0 | 109.8 | ||||
| 901 | I | 25.1 | Very low | 29.9 | Very low | 156 Ų | 156 | 127 Ų | 127 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | trans | -105.1 | 113.4 | -156 | -59.3 | 168.9 | 0 | 0 | 0 | 112 | ||||
| 902 | E | 25.9 | Very low | 30.8 | Very low | 190 Ų | 190 | 120.7 Ų | 120.7 | 89% | 0.888 | 64% | 0.636 | S | S | * | * | trans | -150 | 118.9 | 155.4 | -143.3 | 179.3 | -126 | 0 | 0 | 109.9 | ||||
| 903 | S | 28.3 | Very low | 31.7 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | trans | -139.7 | 138.5 | -167.2 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 904 | L | 30.3 | Very low | 32.7 | Very low | 131 Ų | 131 | 112.6 Ų | 112.6 | 69% | 0.686 | 58% | 0.578 | S | S | * | * | trans | 63.9 | 93.9 | 178.6 | -76.4 | 74.7 | 0 | 0 | 0 | 115.8 | ||||
| 905 | K | 28.6 | Very low | 33.5 | Very low | 183 Ų | 183 | 109.1 Ų | 109.1 | 80% | 0.796 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 119.3 | 149.8 | -74.2 | -179.5 | 177.7 | 174.3 | 0 | 108.6 | ||
| 906 | I | 34.8 | Very low | 34.4 | Very low | 44 Ų | 44 | 104 Ų | 104 | 23% | 0.226 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 136.2 | -179.9 | -64 | 171.4 | 0 | 0 | 0 | 109.3 | V789 Q910 H912 | V789-I906 HydrophobicContact CG1-CD1 4.05Å; V789-I906 HydrophobicContact CG2-CD1 3.74Å; I906-Q910 HydrophobicContact CG2-CB 3.9Å; I906-H912 WeakPolarHBondContact CD1-NE2 3.26Å |
| 907 | Y | 37.4 | Very low | 35.4 | Very low | 180 Ų | 180 | 101.5 Ų | 101.5 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 156.2 | 176.7 | -69.3 | -85.4 | 0 | 0 | 0 | 112 | G909 Q910 | Y907-G909 PolarHBondContact O-N 2.8Å; Y907-Q910 PolarHBondContact O-N 3.24Å |
| 908 | D | 36.3 | Very low | 36.4 | Very low | 161 Ų | 161 | 99.8 Ų | 99.8 | 86% | 0.861 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 125.3 | -171.3 | -155.1 | -10.3 | 0 | 0 | 0 | 112.9 | ||
| 909 | G | 39 | Very low | 37.2 | Very low | 29 Ų | 29 | 96.5 Ų | 96.5 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 37.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y907 R1118 | Y907-G909 PolarHBondContact O-N 2.8Å; G909-R1118 PolarHBondContact O-NH1 3.49Å |
| 910 | Q | 42.1 | Very low | 38.5 | Very low | 61 Ų | 61 | 90.1 Ų | 90.1 | 29% | 0.285 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 147.7 | 154.2 | -66 | 177.7 | -15.4 | 0 | 0 | 109.6 | V867 T869 I906 Y907 | V867-Q910 HydrophobicContact CG1-CB 4.11Å; T869-Q910 HydrophobicContact CG2-CG 4.38Å; I906-Q910 HydrophobicContact CG2-CB 3.9Å; Y907-Q910 PolarHBondContact O-N 3.24Å |
| 911 | V | 46 | Very low | 39.6 | Very low | 11 Ų | 11 | 84.4 Ų | 84.4 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.4 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 110 | L790 I792 F816 V867 L868 I913 | L790-V911 HydrophobicContact CD2-CG1 4.36Å; L790-V911 HydrophobicContact CD2-CG2 4.33Å; L790-V911 HydrophobicContact CG-CG1 4.45Å; I792-V911 HydrophobicContact CD1-CG1 4.07Å; I792-V911 HydrophobicContact CG1-CG1 4.2Å; F816-V911 HydrophobicContact CD1-CG2 4.45Å; F816-V911 HydrophobicContact CE1-CB 4.22Å; F816-V911 HydrophobicContact CE1-CG2 3.54Å; F816-V911 HydrophobicContact CZ-CG2 3.98Å; V867-V911 WeakPolarHBondContact CA-O 3.43Å; L868-V911 PolarHBondContact N-O 2.9Å; L868-V911 PolarHBondContact O-N 2.91Å; V911-I913 HydrophobicContact CG1-CG1 4.29Å |
| 912 | H | 43.9 | Very low | 40.6 | Very low | 23 Ų | 23 | 80.2 Ų | 80.2 | 11% | 0.106 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.2 | 172.9 | -88.1 | -120.7 | 0 | 0 | 0 | 110.1 | V789 L790 S791 I792 P865 I906 | V789-H912 HydrophobicContact CG1-CB 4.26Å; L790-H912 PolarHBondContact O-N 2.82Å; S791-H912 WeakPolarHBondContact CA-O 3.39Å; I792-H912 PolarHBondContact N-O 2.68Å; P865-H912 WeakPolarHBondContact CG-ND1 3.34Å; I906-H912 WeakPolarHBondContact CD1-NE2 3.26Å |
| 913 | I | 48.2 | Very low | 41.7 | Very low | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.3 | 171.8 | -57.7 | -169.4 | 0 | 0 | 0 | 109 | I792 I794 L811 L866 L868 V911 L915 | I792-I913 HydrophobicContact CB-CG1 4.41Å; I792-I913 WeakPolarHBondContact O-CA 3.44Å; I794-I913 HydrophobicContact CD1-CD1 4.48Å; I794-I913 HydrophobicContact CD1-CG2 3.97Å; I794-I913 HydrophobicContact CG1-CG2 4.23Å; L811-I913 HydrophobicContact CD1-CD1 4.25Å; L866-I913 PolarHBondContact N-O 3.36Å; L866-I913 PolarHBondContact O-N 3.12Å; L868-I913 HydrophobicContact CD1-CD1 3.48Å; L868-I913 VanDerWaalsContact CD1-CD1 3.48Å; L868-I913 HydrophobicContact CD1-CG1 4.46Å; L868-I913 HydrophobicContact CG-CD1 3.9Å; L868-I913 HydrophobicContact CG-CG1 4.41Å; V911-I913 HydrophobicContact CG1-CG1 4.29Å; I913-L915 HydrophobicContact CG2-CG 4.21Å |
| 914 | H | 44.1 | Very low | 42.6 | Very low | 38 Ų | 38 | 75.6 Ų | 75.6 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 103.1 | 168.2 | -91.6 | -69.6 | 0 | 0 | 0 | 109.2 | I792 I794 M916 Y961 | I792-H914 PolarHBondContact O-N 2.97Å; I794-H914 PolarHBondContact N-O 3Å; H914-M916 HydrophobicContact CB-CE 3.79Å; H914-Y961 AromaticContact CD2-CE1 3.8Å |
| 915 | L | 44.9 | Very low | 43.4 | Very low | 85 Ų | 85 | 74.4 Ų | 74.4 | 45% | 0.445 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.2 | 166 | -70.2 | 143.1 | 0 | 0 | 0 | 108.1 | F821 L866 I913 | F821-L915 HydrophobicContact CE1-CD1 3.61Å; F821-L915 HydrophobicContact CZ-CD1 3.96Å; L866-L915 HydrophobicContact CD1-CD1 3.99Å; I913-L915 HydrophobicContact CG2-CG 4.21Å |
| 916 | M | 44.1 | Very low | 44.2 | Very low | 29 Ų | 29 | 69.8 Ų | 69.8 | 14% | 0.143 | 36% | 0.357 | C | S | . | . | trans | -151.7 | 152.2 | 174.4 | 67.8 | -178.7 | 77.8 | 0 | 0 | 110.3 | H914 T920 L921 Y961 | H914-M916 HydrophobicContact CB-CE 3.79Å; M916-T920 HydrophobicContact CB-CG2 4.1Å; M916-T920 HydrophobicContact SD-CG2 4.4Å; M916-L921 HydrophobicContact CG-CB 4.19Å; M916-L921 HydrophobicContact SD-CB 3.96Å; M916-L921 HydrophobicContact SD-CD1 3.83Å; M916-Y961 WeakPolarHBondContact CE-OH 3.12Å | ||
| 917 | S | 44.3 | Very low | 44.6 | Very low | 61 Ų | 61 | 72.4 Ų | 72.4 | 43% | 0.427 | 37% | 0.371 | S | S | . | . | trans | -66 | 154.4 | 178.8 | 81.4 | 0 | 0 | 0 | 0 | 111.2 | H919 T920 L921 | S917-H919 PolarHBondContact O-N 3.02Å; S917-T920 WeakPolarHBondContact O-CA 3.48Å; S917-T920 WeakPolarHBondContact O-CB 3.41Å; S917-T920 PolarHBondContact O-N 3.08Å; S917-T920 PolarHBondContact OG-N 3.04Å; S917-T920 PolarHBondContact OG-OG1 3.36Å; S917-L921 PolarHBondContact O-N 3.31Å | ||
| 918 | H | 43.9 | Very low | 44.9 | Very low | 62 Ų | 62 | 69.1 Ų | 69.1 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -51.5 | -40.1 | 173.8 | -179.1 | -117.9 | 0 | 0 | 0 | 112.3 | I797 L921 L922 | I797-H918 HydrophobicContact CG1-CB 4.32Å; H918-L921 PolarHBondContact O-N 3.28Å; H918-L922 WeakPolarHBondContact CE1-CD1 3.39Å; H918-L922 WeakPolarHBondContact O-CB 3.33Å; H918-L922 WeakPolarHBondContact O-CG 3.5Å; H918-L922 PolarHBondContact O-N 3.43Å |
| 919 | H | 43.8 | Very low | 44.9 | Very low | 132 Ų | 132 | 69.3 Ų | 69.3 | 61% | 0.611 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.2 | -35.5 | 174 | -70.7 | -75.3 | 0 | 0 | 0 | 113.4 | S917 N923 | S917-H919 PolarHBondContact O-N 3.02Å; H919-N923 VanDerWaalsContact O-CB 3.23Å; H919-N923 WeakPolarHBondContact O-CB 3.29Å; H919-N923 PolarHBondContact O-N 3.03Å; H919-N923 PolarHBondContact O-OD1 3.44Å |
| 920 | T | 49.9 | Very low | 44.8 | Very low | 59 Ų | 59 | 73.6 Ų | 73.6 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 176 | -48.8 | 0 | 0 | 0 | 0 | 111.4 | M916 S917 K924 | M916-T920 HydrophobicContact CB-CG2 4.1Å; M916-T920 HydrophobicContact SD-CG2 4.4Å; S917-T920 WeakPolarHBondContact O-CA 3.48Å; S917-T920 WeakPolarHBondContact O-CB 3.41Å; S917-T920 PolarHBondContact O-N 3.08Å; S917-T920 PolarHBondContact OG-N 3.04Å; S917-T920 PolarHBondContact OG-OG1 3.36Å; T920-K924 WeakPolarHBondContact O-CB 3.25Å; T920-K924 WeakPolarHBondContact O-CG 3.47Å; T920-K924 PolarHBondContact O-N 2.92Å |
| 921 | L | 50.6 | Low | 44.6 | Very low | 43 Ų | 43 | 75.5 Ų | 75.5 | 23% | 0.225 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.7 | -51.4 | 174.5 | -175.1 | 69 | 0 | 0 | 0 | 110.8 | A795 M916 S917 H918 N923 K924 L925 | A795-L921 HydrophobicContact CB-CD2 3.87Å; M916-L921 HydrophobicContact CG-CB 4.19Å; M916-L921 HydrophobicContact SD-CB 3.96Å; M916-L921 HydrophobicContact SD-CD1 3.83Å; S917-L921 PolarHBondContact O-N 3.31Å; H918-L921 PolarHBondContact O-N 3.28Å; L921-N923 PolarHBondContact O-N 2.84Å; L921-K924 PolarHBondContact O-N 3.12Å; L921-L925 HydrophobicContact CD1-CD1 4.44Å; L921-L925 HydrophobicContact CG-CD1 4.07Å; L921-L925 WeakPolarHBondContact O-CG 3.1Å; L921-L925 PolarHBondContact O-N 2.89Å |
| 922 | L | 45.8 | Very low | 44.2 | Very low | 69 Ų | 69 | 79.8 Ų | 79.8 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 178.3 | -79.3 | 173.8 | 0 | 0 | 0 | 112.2 | H918 K924 L925 L926 | H918-L922 WeakPolarHBondContact CE1-CD1 3.39Å; H918-L922 WeakPolarHBondContact O-CB 3.33Å; H918-L922 WeakPolarHBondContact O-CG 3.5Å; H918-L922 PolarHBondContact O-N 3.43Å; L922-K924 VanDerWaalsContact C-N 3.31Å; L922-K924 PolarHBondContact O-N 2.78Å; L922-L925 PolarHBondContact O-N 3.38Å; L922-L925 VanDerWaalsContact O-N 3.12Å; L922-L926 WeakPolarHBondContact O-CB 3.29Å; L922-L926 VanDerWaalsContact O-CG 3.28Å; L922-L926 WeakPolarHBondContact O-CG 3.37Å; L922-L926 PolarHBondContact O-N 3.29Å |
| 923 | N | 48.8 | Very low | 43.8 | Very low | 89 Ų | 89 | 83.4 Ų | 83.4 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 179.8 | -72 | 8.4 | 0 | 0 | 0 | 111.9 | H919 L921 L926 L927 | H919-N923 VanDerWaalsContact O-CB 3.23Å; H919-N923 WeakPolarHBondContact O-CB 3.29Å; H919-N923 PolarHBondContact O-N 3.03Å; H919-N923 PolarHBondContact O-OD1 3.44Å; L921-N923 PolarHBondContact O-N 2.84Å; N923-L926 PolarHBondContact O-N 3.29Å; N923-L927 VanDerWaalsContact O-CB 3.31Å; N923-L927 WeakPolarHBondContact O-CB 3.41Å; N923-L927 WeakPolarHBondContact O-CD1 3.03Å; N923-L927 VanDerWaalsContact O-CG 3.29Å; N923-L927 WeakPolarHBondContact O-CG 3.17Å; N923-L927 PolarHBondContact O-N 3.25Å |
| 924 | K | 48.1 | Very low | 43.1 | Very low | 96 Ų | 96 | 87.3 Ų | 87.3 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 174 | -77.7 | -176.7 | 174 | -173 | 0 | 112.8 | T920 L921 L922 Y928 | T920-K924 WeakPolarHBondContact O-CB 3.25Å; T920-K924 WeakPolarHBondContact O-CG 3.47Å; T920-K924 PolarHBondContact O-N 2.92Å; L921-K924 PolarHBondContact O-N 3.12Å; L922-K924 VanDerWaalsContact C-N 3.31Å; L922-K924 PolarHBondContact O-N 2.78Å; K924-Y928 WeakPolarHBondContact O-CB 3.23Å; K924-Y928 PolarHBondContact O-N 3.05Å |
| 925 | L | 47.4 | Very low | 42.6 | Very low | 106 Ų | 106 | 94.1 Ų | 94.1 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74.1 | -36.6 | 175.1 | -67.6 | 169.3 | 0 | 0 | 0 | 112.4 | L921 L922 Y928 R929 | L921-L925 HydrophobicContact CD1-CD1 4.44Å; L921-L925 HydrophobicContact CG-CD1 4.07Å; L921-L925 WeakPolarHBondContact O-CG 3.1Å; L921-L925 PolarHBondContact O-N 2.89Å; L922-L925 PolarHBondContact O-N 3.38Å; L922-L925 VanDerWaalsContact O-N 3.12Å; L925-Y928 PolarHBondContact O-N 3.07Å; L925-R929 PolarHBondContact O-N 2.77Å; L925-R929 VanDerWaalsContact O-N 3.14Å |
| 926 | L | 45.1 | Very low | 41.8 | Very low | 86 Ų | 86 | 94.7 Ų | 94.7 | 45% | 0.45 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70 | -47.1 | 177.3 | -71.7 | 167.4 | 0 | 0 | 0 | 111.8 | L922 N923 Y928 R929 E930 | L922-L926 WeakPolarHBondContact O-CB 3.29Å; L922-L926 VanDerWaalsContact O-CG 3.28Å; L922-L926 WeakPolarHBondContact O-CG 3.37Å; L922-L926 PolarHBondContact O-N 3.29Å; N923-L926 PolarHBondContact O-N 3.29Å; L926-Y928 PolarHBondContact O-N 2.87Å; L926-R929 WeakPolarHBondContact O-CA 3.46Å; L926-R929 WeakPolarHBondContact O-CB 3.26Å; L926-R929 PolarHBondContact O-N 3.15Å; L926-E930 PolarHBondContact O-N 2.9Å |
| 927 | L | 43.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.5 | -32.9 | 174.2 | -76.2 | 165.8 | 0 | 0 | 0 | 112.3 | N923 N931 | N923-L927 VanDerWaalsContact O-CB 3.31Å; N923-L927 WeakPolarHBondContact O-CB 3.41Å; N923-L927 WeakPolarHBondContact O-CD1 3.03Å; N923-L927 VanDerWaalsContact O-CG 3.29Å; N923-L927 WeakPolarHBondContact O-CG 3.17Å; N923-L927 PolarHBondContact O-N 3.25Å; L927-N931 PolarHBondContact O-N 2.94Å; L927-N931 PolarHBondContact O-ND2 3.02Å |
| 928 | Y | 43.5 | Very low | 40.2 | Very low | 110 Ų | 110 | 108.8 Ų | 108.8 | 43% | 0.431 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 173.6 | -166.1 | -105.7 | 0 | 0 | 0 | 112.1 | K924 L925 L926 I932 L959 | K924-Y928 WeakPolarHBondContact O-CB 3.23Å; K924-Y928 PolarHBondContact O-N 3.05Å; L925-Y928 PolarHBondContact O-N 3.07Å; L926-Y928 PolarHBondContact O-N 2.87Å; Y928-I932 HydrophobicContact CD1-CD1 3.79Å; Y928-I932 HydrophobicContact CE1-CD1 3.45Å; Y928-I932 VanDerWaalsContact CE1-CD1 3.45Å; Y928-I932 HydrophobicContact CG-CD1 4.49Å; Y928-I932 WeakPolarHBondContact O-CG1 3.47Å; Y928-I932 PolarHBondContact O-N 3.26Å; Y928-L959 HydrophobicContact CE2-CG 4.23Å; Y928-L959 WeakPolarHBondContact OH-CD1 3.27Å |
| 929 | R | 36.6 | Very low | 39.6 | Very low | 166 Ų | 166 | 110.5 Ų | 110.5 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68 | -39.1 | 176.5 | -166.4 | 175.8 | -173.9 | 162.7 | 3.4 | 112.8 | L925 L926 I932 T933 | L925-R929 PolarHBondContact O-N 2.77Å; L925-R929 VanDerWaalsContact O-N 3.14Å; L926-R929 WeakPolarHBondContact O-CA 3.46Å; L926-R929 WeakPolarHBondContact O-CB 3.26Å; L926-R929 PolarHBondContact O-N 3.15Å; R929-I932 PolarHBondContact O-N 3.32Å; R929-T933 PolarHBondContact O-N 3.37Å; R929-T933 PolarHBondContact O-OG1 2.87Å |
| 930 | E | 37.2 | Very low | 38.8 | Very low | 119 Ų | 119 | 112 Ų | 112 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71 | -36.1 | 178.2 | -69 | 176.6 | 152.3 | 0 | 0 | 112.5 | L926 I932 T933 S934 | L926-E930 PolarHBondContact O-N 2.9Å; E930-I932 VanDerWaalsContact C-N 3.28Å; E930-I932 PolarHBondContact O-N 3.13Å; E930-T933 WeakPolarHBondContact CA-OG1 3.44Å; E930-T933 PolarHBondContact O-N 3.48Å; E930-T933 PolarHBondContact O-OG1 3.35Å; E930-S934 WeakPolarHBondContact O-CB 3.41Å; E930-S934 PolarHBondContact O-N 3.11Å; E930-S934 PolarHBondContact O-OG 3.49Å |
| 931 | N | 36.7 | Very low | 37.7 | Very low | 101 Ų | 101 | 112.4 Ų | 112.4 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.8 | -19 | 175.6 | -84 | -80.6 | 0 | 0 | 0 | 114.1 | L927 | L927-N931 PolarHBondContact O-N 2.94Å; L927-N931 PolarHBondContact O-ND2 3.02Å |
| 932 | I | 38.2 | Very low | 36.6 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -87.8 | -31.4 | 175.1 | -71.8 | 171.1 | 0 | 0 | 0 | 111.6 | Y928 R929 E930 | Y928-I932 HydrophobicContact CD1-CD1 3.79Å; Y928-I932 HydrophobicContact CE1-CD1 3.45Å; Y928-I932 VanDerWaalsContact CE1-CD1 3.45Å; Y928-I932 HydrophobicContact CG-CD1 4.49Å; Y928-I932 WeakPolarHBondContact O-CG1 3.47Å; Y928-I932 PolarHBondContact O-N 3.26Å; R929-I932 PolarHBondContact O-N 3.32Å; E930-I932 VanDerWaalsContact C-N 3.28Å; E930-I932 PolarHBondContact O-N 3.13Å |
| 933 | T | 35 | Very low | 35.6 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 61% | 0.607 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -86.6 | -3.4 | -177 | 41.3 | 0 | 0 | 0 | 0 | 114.5 | R929 E930 | R929-T933 PolarHBondContact O-N 3.37Å; R929-T933 PolarHBondContact O-OG1 2.87Å; E930-T933 WeakPolarHBondContact CA-OG1 3.44Å; E930-T933 PolarHBondContact O-N 3.48Å; E930-T933 PolarHBondContact O-OG1 3.35Å |
| 934 | S | 34.8 | Very low | 34.6 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 12.5 | -176.3 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | E930 | E930-S934 WeakPolarHBondContact O-CB 3.41Å; E930-S934 PolarHBondContact O-N 3.11Å; E930-S934 PolarHBondContact O-OG 3.49Å |
| 935 | K | 32.4 | Very low | 33.6 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 79% | 0.787 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -131.4 | 18 | -175 | -72.5 | -173 | 176.4 | 176.9 | 0 | 115.9 | ||
| 936 | S | 28.2 | Very low | 32.5 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | trans | -120.9 | 23.8 | -174.5 | 64.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 937 | E | 25.7 | Very low | 31.7 | Very low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -133.2 | 68.1 | 174.7 | -71.2 | -158.8 | 144.3 | 0 | 0 | 113.9 | ||
| 938 | Q | 29.8 | Very low | 30.9 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 94% | 0.939 | 72% | 0.718 | S | S | * | * | trans | -166.8 | 145.5 | 144.4 | -110.6 | 167.8 | 37.1 | 0 | 0 | 109.9 | ||||
| 939 | S | 30.1 | Very low | 30 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -148.6 | 155.9 | -169.3 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 940 | N | 28.5 | Very low | 29.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | trans | 73.1 | 112.5 | 157.7 | -57.7 | -22.1 | 0 | 0 | 0 | 120.3 | ||||
| 941 | G | 25.6 | Very low | 29 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | 146.3 | 109.6 | 124.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 942 | I | 27.4 | Very low | 28.4 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | 157.1 | 136.2 | 112.2 | -82.3 | 165.8 | 0 | 0 | 0 | 113.7 | |||||
| 943 | L | 26.4 | Very low | 27.7 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 78.1 | 167.1 | 162.8 | -86.8 | 163 | 0 | 0 | 0 | 121.8 | ||||
| 944 | L | 26.6 | Very low | 27.3 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 71% | 0.707 | 80% | 0.798 | S | S | * | * | trans | -127.9 | 159.9 | -146.8 | -85.6 | 100.7 | 0 | 0 | 0 | 115.4 | ||||
| 945 | E | 26.8 | Very low | 26.7 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 35.2 | 111.8 | 146.7 | -66.6 | 179.7 | 131 | 0 | 0 | 120.2 | ||||
| 946 | G | 24.3 | Very low | 26.5 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -170.9 | 153.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 947 | S | 29.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -99.3 | 157.8 | -176.9 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 948 | D | 26 | Very low | 26.3 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | 74.3 | 139 | 166.9 | -67.1 | -36 | 0 | 0 | 0 | 121.2 | ||||
| 949 | M | 24.5 | Very low | 26.3 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 68.5 | 107 | 155.1 | -69.6 | -66.2 | -174 | 0 | 0 | 122.8 | ||||
| 950 | D | 26 | Very low | 26.5 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | 48.4 | 102.6 | 130.3 | -74.1 | 10.8 | 0 | 0 | 0 | 122.9 | ||||
| 951 | L | 26.9 | Very low | 26.6 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 97% | 0.969 | 77% | 0.772 | S | S | * | * | trans | -164.4 | 150.4 | 133.3 | -129.8 | 71.7 | 0 | 0 | 0 | 108 | ||||
| 952 | G | 22.9 | Very low | 26.7 | Very low | 61 Ų | 61 | 135.9 Ų | 135.9 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 161.8 | 107.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 953 | T | 23.6 | Very low | 26.8 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | 47.1 | 109.3 | 167.1 | 48.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 954 | T | 26.5 | Very low | 27 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -141.1 | 148.7 | 147.4 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 955 | N | 23.1 | Very low | 26.9 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | -66.4 | 147.8 | -167.3 | -56.2 | -43.1 | 0 | 0 | 0 | 116.1 | ||||
| 956 | S | 27.9 | Very low | 26.8 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -134 | 29.4 | 165.6 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | F958 | S956-F958 PolarHBondContact O-N 2.93Å; S956-F958 VanDerWaalsContact O-N 3.12Å | ||
| 957 | H | 25 | Very low | 26.8 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | -61.2 | 109.7 | 152.7 | -82.6 | -82.7 | 0 | 0 | 0 | 108.4 | ||||
| 958 | F | 25.9 | Very low | 26.5 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 83% | 0.833 | 72% | 0.723 | S | S | * | * | trans | 172 | 73.9 | 147.3 | -91.5 | -57.5 | 0 | 0 | 0 | 112.1 | S956 | S956-F958 PolarHBondContact O-N 2.93Å; S956-F958 VanDerWaalsContact O-N 3.12Å | ||
| 959 | L | 28.9 | Very low | 26.5 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 63% | 0.628 | 72% | 0.716 | S | S | * | * | trans | -173.9 | 112.9 | 154.8 | -107.5 | 174.5 | 0 | 0 | 0 | 110.1 | Y928 | Y928-L959 HydrophobicContact CE2-CG 4.23Å; Y928-L959 WeakPolarHBondContact OH-CD1 3.27Å | ||
| 960 | P | 33.4 | Very low | 26.5 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 60% | 0.597 | 72% | 0.715 | S | S | * | * | trans | -108.6 | 28.2 | -175.8 | 40.2 | -34.1 | 0 | 0 | 0 | 114.6 | ||||
| 961 | Y | 32 | Very low | 26.5 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 33% | 0.333 | 72% | 0.719 | S | S | . | * | trans | -135.4 | 115 | 179.3 | -57.5 | -62.4 | 0 | 0 | 0 | 111.8 | H914 M916 | H914-Y961 AromaticContact CD2-CE1 3.8Å; M916-Y961 WeakPolarHBondContact CE-OH 3.12Å | ||
| 962 | S | 28.2 | Very low | 26.4 | Very low | 84 Ų | 84 | 120.5 Ų | 120.5 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | trans | -127.1 | 95.2 | -179.3 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 963 | G | 28.4 | Very low | 26.5 | Very low | 45 Ų | 45 | 122.5 Ų | 122.5 | 46% | 0.464 | 72% | 0.722 | S | S | . | * | trans | 80.8 | 137.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 964 | I | 30.3 | Very low | 26.5 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 59% | 0.59 | 72% | 0.72 | S | S | * | * | cis | -130.5 | 138.2 | 11.1 | -66.4 | 172.9 | 0 | 0 | 0 | 110.2 | L790 L966 | L790-I964 HydrophobicContact CD1-CD1 3.68Å; L790-I964 HydrophobicContact CD1-CG1 3.92Å; I964-L966 HydrophobicContact CG2-CG 4.45Å | ||
| 965 | I | 25.3 | Very low | 26.5 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | trans | -101.8 | 125 | 157.2 | -64.4 | 176.4 | 0 | 0 | 0 | 107.3 | F967 | I965-F967 HydrophobicContact CB-CE2 4.34Å; I965-F967 HydrophobicContact CG2-CD2 4Å; I965-F967 HydrophobicContact CG2-CE2 3.78Å; I965-F967 HydrophobicContact CG2-CZ 4.36Å; I965-F967 PolarHBondContact O-N 2.74Å | ||
| 966 | L | 25 | Very low | 26.5 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 67% | 0.665 | 72% | 0.724 | S | S | * | * | trans | -78.2 | 97.5 | 176.9 | -85.9 | 165.5 | 0 | 0 | 0 | 110.8 | I964 T968 | I964-L966 HydrophobicContact CG2-CG 4.45Å; L966-T968 PolarHBondContact O-N 3.49Å | ||
| 967 | F | 24 | Very low | 26.4 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | trans | -85.2 | 86.5 | 165.6 | -80.2 | -79.1 | 0 | 0 | 0 | 110.8 | I965 S969 | I965-F967 HydrophobicContact CB-CE2 4.34Å; I965-F967 HydrophobicContact CG2-CD2 4Å; I965-F967 HydrophobicContact CG2-CE2 3.78Å; I965-F967 HydrophobicContact CG2-CZ 4.36Å; I965-F967 PolarHBondContact O-N 2.74Å; F967-S969 VanDerWaalsContact C-N 3.35Å; F967-S969 PolarHBondContact O-N 3.48Å; F967-S969 VanDerWaalsContact O-N 3.13Å | ||
| 968 | T | 23.7 | Very low | 26.3 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -82.3 | 77 | 169.9 | 48.7 | 0 | 0 | 0 | 0 | 111 | L966 | L966-T968 PolarHBondContact O-N 3.49Š| ||
| 969 | S | 25.4 | Very low | 26.2 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | -130.8 | 101.3 | 171.7 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | F967 | F967-S969 VanDerWaalsContact C-N 3.35Å; F967-S969 PolarHBondContact O-N 3.48Å; F967-S969 VanDerWaalsContact O-N 3.13Å | ||
| 970 | A | 25 | Very low | 25.9 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -70.1 | 134.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S972 | A970-S972 PolarHBondContact O-N 2.99Å; A970-S972 VanDerWaalsContact O-N 3.16Å | ||
| 971 | P | 26 | Very low | 25.5 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 73% | 0.732 | S | S | * | * | trans | -82.7 | 92.2 | -178.1 | 31.9 | -34.7 | 0 | 0 | 0 | 112.4 | A973 | P971-A973 PolarHBondContact O-N 3.49Š| ||
| 972 | S | 23.4 | Very low | 25 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -83.6 | 87.2 | 171.2 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | A970 | A970-S972 PolarHBondContact O-N 2.99Å; A970-S972 VanDerWaalsContact O-N 3.16Å | ||
| 973 | A | 24.7 | Very low | 24.8 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 24.2 | 95.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | P971 | P971-A973 PolarHBondContact O-N 3.49Š| ||
| 974 | A | 24.8 | Very low | 24.7 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -141.6 | 22.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 975 | Q | 25.1 | Very low | 24.3 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | -143.1 | 99.1 | 163.8 | -98.8 | -172.4 | -0.4 | 0 | 0 | 110.6 | ||||
| 976 | K | 24.5 | Very low | 24.3 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -153.2 | 126.9 | 170 | -157.1 | 168.4 | -172.2 | 172.2 | 0 | 110.3 | ||||
| 977 | K | 24.6 | Very low | 24.3 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | 61.1 | 102.1 | 179.4 | -67.5 | -170.1 | 169.6 | -164.2 | 0 | 117.2 | ||||
| 978 | L | 24.5 | Very low | 24.1 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | -136 | 86.2 | 116.2 | -160.6 | 85.9 | 0 | 0 | 0 | 110.6 | N980 | L978-N980 HydrophobicContact CD1-CB 3.83Š| |||
| 979 | W | 22.6 | Very low | 24.2 | Very low | 249 Ų | 249 | 145 Ų | 145 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | -116 | 117.7 | 120.7 | -85.7 | 98.4 | 0 | 0 | 0 | 104.9 | |||||
| 980 | N | 22.3 | Very low | 24 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 53% | 0.529 | 81% | 0.812 | S | S | . | * | trans | -135.9 | 176.4 | 176.9 | -101.6 | 2.8 | 0 | 0 | 0 | 106.3 | L978 | L978-N980 HydrophobicContact CD1-CB 3.83Š| ||
| 981 | E | 25.3 | Very low | 24.6 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | 74.2 | 109.8 | 179.2 | -49.8 | -170.8 | 166.9 | 0 | 0 | 112.3 | ||||
| 982 | L | 21.4 | Very low | 24.8 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | cis | 81 | 90.3 | 31.2 | -160.1 | 145.6 | 0 | 0 | 0 | 114.5 | ||||
| 983 | S | 25.2 | Very low | 24.8 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | -169.9 | 144.6 | 129.5 | -82.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 984 | Q | 26.3 | Very low | 24.8 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | 59.8 | 112.6 | 153.4 | -68.6 | 167.8 | -18 | 0 | 0 | 118 | ||||
| 985 | E | 22 | Very low | 24.7 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | 81 | 102.4 | 62.3 | -74.7 | -174 | 128.4 | 0 | 0 | 114.3 | |||||
| 986 | T | 24.4 | Very low | 24.6 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | 155.4 | 168.8 | 122.9 | 43.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 987 | G | 24 | Very low | 24.7 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 103.7 | 39.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 988 | E | 21.6 | Very low | 24.7 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -12.6 | 142.2 | 141.7 | -158.8 | 179.9 | -100 | 0 | 0 | 118 | ||||
| 989 | I | 24.3 | Very low | 24.7 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 155 | 125.6 | 132 | -79.3 | 162.5 | 0 | 0 | 0 | 114.4 | ||||
| 990 | F | 21.7 | Very low | 24.7 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -103.7 | 162.5 | 160 | -99.2 | -101 | 0 | 0 | 0 | 108.3 | ||||
| 991 | P | 38.7 | Very low | 25 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | cis | -145 | 5.6 | -42.7 | 43.3 | -26.5 | 0 | 0 | 0 | 118.7 | ||||
| 992 | P | 30 | Very low | 25.1 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | -104.4 | 138.5 | -124.9 | 34 | -25.9 | 0 | 0 | 0 | 118.6 | |||||
| 993 | T | 22 | Very low | 25.4 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | 62.2 | 128.7 | 144.8 | 49.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 994 | H | 25.1 | Very low | 25.6 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 21 | 114.2 | 148.9 | -64.1 | -89.4 | 0 | 0 | 0 | 119.4 | ||||
| 995 | L | 24.1 | Very low | 25.9 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | -159.3 | 161.3 | 110.1 | -132.4 | 70.8 | 0 | 0 | 0 | 114.9 | |||||
| 996 | S | 22.2 | Very low | 26.2 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | -61.8 | -177 | -176.1 | -160.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 997 | T | 26.3 | Very low | 26.5 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | 76.4 | 100 | 150.7 | 36.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 998 | K | 24.6 | Very low | 26.7 | Very low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 73.8 | 141.4 | 114.6 | -82.6 | -176.5 | 172.4 | -179.7 | 0 | 122.9 | |||||
| 999 | L | 24.5 | Very low | 27 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | 87.1 | 82.2 | 143.3 | -104 | 65.4 | 0 | 0 | 0 | 121.6 | ||||
| 1000 | Q | 23.2 | Very low | 27.1 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | 47 | 124.3 | 111.3 | -62.7 | 172.1 | -61.1 | 0 | 0 | 120.9 | |||||
| 1001 | G | 28 | Very low | 27.3 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -157.2 | 63.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1002 | R | 27.2 | Very low | 26.7 | Very low | 239 Ų | 239 | 137.2 Ų | 137.2 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 13.5 | 144.2 | 143.4 | -120.7 | 178.6 | 179.4 | -177.4 | 0.2 | 118.3 | ||||
| 1003 | V | 28.6 | Very low | 26.4 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | -160.4 | 162 | 45.1 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1004 | T | 29.8 | Very low | 26.8 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | 93.5 | 134.5 | 152.8 | 9.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1005 | N | 31.6 | Very low | 26.8 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 63.1 | 130 | 166.9 | -56.4 | -9.2 | 0 | 0 | 0 | 119.2 | ||||
| 1006 | S | 29 | Very low | 26.7 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | -164.6 | 149.3 | -21.6 | 50 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1007 | M | 29.6 | Very low | 26.8 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | trans | 69.6 | 117.7 | 179.7 | -60.1 | -171.5 | 174.5 | 0 | 0 | 115.9 | ||||
| 1008 | N | 28.6 | Very low | 26.6 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -127.5 | -175.3 | -173.9 | -80.2 | -48.6 | 0 | 0 | 0 | 107.6 | ||||
| 1009 | L | 29 | Very low | 26.6 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | cis | -169.3 | 131 | 32.1 | -171.8 | 75.7 | 0 | 0 | 0 | 113.6 | ||||
| 1010 | C | 26.2 | Very low | 26.6 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 72% | 0.716 | 80% | 0.795 | S | S | * | * | trans | 51.2 | 159 | 151.8 | -64.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1011 | G | 25.1 | Very low | 27.1 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | 147.7 | 166.7 | 2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1012 | I | 26.3 | Very low | 27 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | cis | -160.5 | 143.1 | 2 | -100 | 151.1 | 0 | 0 | 0 | 109.3 | ||||
| 1013 | N | 24.2 | Very low | 26.9 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 45.9 | 149.1 | 156.5 | -68.7 | 3.8 | 0 | 0 | 0 | 125.3 | ||||
| 1014 | M | 29.9 | Very low | 26.7 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -81.7 | 158.6 | 164.2 | -61.4 | -98.2 | -79.3 | 0 | 0 | 112.7 | ||||
| 1015 | H | 25.6 | Very low | 26.5 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -154.5 | 151.7 | 142.5 | -137.6 | -73.9 | 0 | 0 | 0 | 111.3 | ||||
| 1016 | E | 22.2 | Very low | 26.3 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -75.7 | 143.2 | 179 | -57.8 | 156.4 | 107.4 | 0 | 0 | 112.7 | ||||
| 1017 | C | 23.8 | Very low | 26.1 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | 177.6 | 137 | 116.5 | -98.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1018 | S | 22 | Very low | 26 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -41.5 | 139.6 | 175.4 | 53.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1019 | S | 24.7 | Very low | 26 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | -173.2 | 146.1 | 118.5 | 30.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1020 | S | 23.8 | Very low | 26.5 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -96.6 | -174.7 | 174.3 | -41.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1021 | P | 33.2 | Very low | 26.5 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | cis | -144.4 | -167.1 | 12.7 | 44 | -22 | 0 | 0 | 0 | 117.8 | ||||
| 1022 | Q | 25.9 | Very low | 26.6 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | trans | -40.4 | 149.8 | 175.7 | -55.8 | 160 | -24.5 | 0 | 0 | 118.3 | S1779 | Q1022-S1779 PolarHBondContact NE2-O 3.08Š| ||
| 1023 | L | 25.1 | Very low | 26.7 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | 168.2 | 134.5 | 103.2 | -85.6 | 178.9 | 0 | 0 | 0 | 115.5 | |||||
| 1024 | L | 25.5 | Very low | 26.8 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | trans | 47.4 | 127.8 | 138.7 | -71 | 175.4 | 0 | 0 | 0 | 125.2 | ||||
| 1025 | L | 25.6 | Very low | 26.6 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | 72.9 | 150.7 | 141.9 | -54.8 | 165.2 | 0 | 0 | 0 | 118 | ||||
| 1026 | N | 26.4 | Very low | 26.5 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | cis | -154.7 | 164.5 | 7 | -136.2 | 16.2 | 0 | 0 | 0 | 116.2 | ||||
| 1027 | D | 25.4 | Very low | 26.7 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 60% | 0.599 | 71% | 0.711 | S | S | * | * | trans | 84.2 | 129.9 | 140.9 | -75.3 | -36.6 | 0 | 0 | 0 | 127.3 | ||||
| 1028 | H | 28.4 | Very low | 26.9 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 61% | 0.611 | 71% | 0.706 | S | S | * | * | trans | 90 | 93.2 | 139.9 | -63.4 | -3 | 0 | 0 | 0 | 124.1 | ||||
| 1029 | S | 27 | Very low | 27 | Very low | 76 Ų | 76 | 128 Ų | 128 | 53% | 0.531 | 70% | 0.701 | S | S | . | * | 44.1 | 158.7 | 117.2 | 59.2 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1030 | P | 40.1 | Very low | 26.9 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 53% | 0.532 | 70% | 0.701 | S | S | . | * | trans | -120.7 | -168.3 | -156 | 45.8 | -34 | 0 | 0 | 0 | 117.9 | ||||
| 1031 | D | 27.1 | Very low | 27.1 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | trans | 73 | 136.7 | 165.4 | -54 | -29.8 | 0 | 0 | 0 | 117.6 | ||||
| 1032 | E | 27 | Very low | 26.7 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | cis | -158.7 | 173 | 42.7 | -71.4 | -170.4 | 151.7 | 0 | 0 | 115.4 | ||||
| 1033 | N | 27.1 | Very low | 26.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | trans | 95.9 | 136.1 | 138.4 | -73.2 | -27.6 | 0 | 0 | 0 | 126.3 | ||||
| 1034 | E | 27.7 | Very low | 26.5 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | trans | 72.5 | 98.2 | 146.5 | -71 | -165.2 | 121.4 | 0 | 0 | 124.9 | ||||
| 1035 | C | 24.1 | Very low | 26.6 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | 73.3 | 112.1 | 105.5 | -68.3 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1036 | D | 23.4 | Very low | 26.5 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | 95.5 | 163.4 | 117.5 | -131.9 | -13.6 | 0 | 0 | 0 | 122.6 | |||||
| 1037 | F | 28.3 | Very low | 26.4 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | trans | 84.4 | 83.6 | 170.4 | -72.8 | -85.1 | 0 | 0 | 0 | 123.5 | ||||
| 1038 | K | 26.2 | Very low | 26.4 | Very low | 173 Ų | 173 | 133 Ų | 133 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | 68.6 | 92 | 102.9 | -163.7 | 177 | -171.5 | 173.3 | 0 | 122.9 | |||||
| 1039 | A | 24.5 | Very low | 26.1 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | 71.7 | 158.1 | 118.3 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1040 | H | 23.9 | Very low | 26.3 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 83% | 0.833 | 74% | 0.739 | S | S | * | * | trans | 74.5 | 110.7 | 160 | -64.8 | -74.6 | 0 | 0 | 0 | 123 | ||||
| 1041 | A | 28.2 | Very low | 25.4 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | 173.1 | 139.9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1042 | E | 23.1 | Very low | 25.3 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | cis | 67.3 | 133 | 39.1 | -66.1 | -174.5 | 177.5 | 0 | 0 | 113.7 | ||||
| 1043 | C | 24.8 | Very low | 25.2 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | cis | -152.9 | 164.6 | 4.2 | -115.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1044 | D | 22.5 | Very low | 25.3 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | 21.8 | 141.9 | 147.8 | -60.9 | -12.6 | 0 | 0 | 0 | 123.7 | ||||
| 1045 | H | 27.2 | Very low | 25.4 | Very low | 184 Ų | 184 | 140 Ų | 140 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | -177.4 | 137.1 | 97.2 | -88.2 | -58.4 | 0 | 0 | 0 | 115.9 | |||||
| 1046 | S | 23.4 | Very low | 25.7 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -53.3 | 153 | 177.6 | 51 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1047 | S | 25.4 | Very low | 26 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | 165.1 | 135.6 | 100.9 | 47.5 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1048 | E | 25.3 | Very low | 26.3 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | 48.6 | 108.5 | 143.9 | -56 | -168 | 128.6 | 0 | 0 | 126.3 | ||||
| 1049 | F | 22.8 | Very low | 26.7 | Very low | 190 Ų | 190 | 131 Ų | 131 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | 55.4 | 161.3 | 128.3 | -71.5 | -65.3 | 0 | 0 | 0 | 124.4 | |||||
| 1050 | P | 30.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | cis | -131.8 | -176.2 | -24.1 | 38.1 | -20.6 | 0 | 0 | 0 | 114.9 | ||||
| 1051 | C | 21.4 | Very low | 27.5 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | 74 | 150.2 | 168.5 | -64.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1052 | S | 24.3 | Very low | 28 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | cis | -168.1 | 146.9 | -3.5 | 38.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1053 | F | 25.4 | Very low | 28.3 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | trans | 60.6 | 154.2 | 174.9 | -70.8 | -89 | 0 | 0 | 0 | 115.7 | ||||
| 1054 | D | 29.5 | Very low | 28.6 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | cis | -137.7 | 159.6 | 20 | -135.3 | -25.3 | 0 | 0 | 0 | 113.5 | ||||
| 1055 | Q | 28.1 | Very low | 28.9 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | trans | -133.3 | 101.3 | -176 | -166.2 | 174.1 | 20.8 | 0 | 0 | 111.4 | S1057 | Q1055-S1057 PolarHBondContact O-N 2.82Å; Q1055-S1057 VanDerWaalsContact O-N 3.14Å | ||
| 1056 | L | 32 | Very low | 29.1 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 93% | 0.927 | 71% | 0.709 | S | S | * | * | trans | -73.2 | 105.6 | -169.9 | -81.6 | 165.2 | 0 | 0 | 0 | 113.9 | ||||
| 1057 | S | 29.2 | Very low | 29.3 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 42% | 0.42 | 72% | 0.717 | S | S | . | * | trans | -78.1 | 165.5 | 170.7 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | Q1055 N1062 | Q1055-S1057 PolarHBondContact O-N 2.82Å; Q1055-S1057 VanDerWaalsContact O-N 3.14Å; S1057-N1062 PolarHBondContact OG-ND2 3.35Å; S1057-N1062 PolarHBondContact OG-OD1 3.48Å | ||
| 1058 | C | 34.2 | Very low | 29.6 | Very low | 59 Ų | 59 | 139.9 Ų | 139.9 | 40% | 0.399 | 72% | 0.721 | S | S | . | * | trans | -66.8 | 139.6 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | C1060 C1061 N1062 | C1058-C1060 PolarHBondContact O-N 2.62Å; C1058-C1060 VanDerWaalsContact O-N 3.1Å; C1058-C1061 WeakPolarHBondContact O-CB 3.46Å; C1058-C1061 PolarHBondContact O-N 3.24Å; C1058-N1062 PolarHBondContact O-N 3.03Å | ||
| 1059 | T | 35.1 | Very low | 29.8 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -55.1 | -30.7 | 177.9 | -33.3 | 0 | 0 | 0 | 0 | 113.4 | C1061 N1062 | T1059-C1061 PolarHBondContact O-N 3.37Å; T1059-N1062 PolarHBondContact O-N 3.45Å |
| 1060 | C | 28.3 | Very low | 30.1 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 64% | 0.635 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -68 | -20.1 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | C1058 | C1058-C1060 PolarHBondContact O-N 2.62Å; C1058-C1060 VanDerWaalsContact O-N 3.1Å |
| 1061 | C | 36.2 | Very low | 30 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 47% | 0.473 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -93.4 | -22.7 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | C1058 T1059 | C1058-C1061 WeakPolarHBondContact O-CB 3.46Å; C1058-C1061 PolarHBondContact O-N 3.24Å; T1059-C1061 PolarHBondContact O-N 3.37Å |
| 1062 | N | 38.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 58% | 0.578 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -89.6 | -9.4 | -176 | -72.4 | 1.9 | 0 | 0 | 0 | 114.6 | S1057 C1058 T1059 | S1057-N1062 PolarHBondContact OG-ND2 3.35Å; S1057-N1062 PolarHBondContact OG-OD1 3.48Å; C1058-N1062 PolarHBondContact O-N 3.03Å; T1059-N1062 PolarHBondContact O-N 3.45Å |
| 1063 | L | 31.1 | Very low | 30.6 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -91.8 | -20.8 | -180 | -79.3 | 164.4 | 0 | 0 | 0 | 113.9 | ||
| 1064 | F | 29.5 | Very low | 30.8 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -147.9 | 87.2 | 178.7 | -73 | -85.7 | 0 | 0 | 0 | 111.4 | ||
| 1065 | Y | 30 | Very low | 30.9 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | trans | -158.6 | 128.5 | 142.2 | -128.4 | -83.4 | 0 | 0 | 0 | 111.1 | ||||
| 1066 | N | 30.5 | Very low | 31 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -101.6 | 148 | 172.9 | -134.9 | -23.8 | 0 | 0 | 0 | 109.7 | K1068 | N1066-K1068 PolarHBondContact O-N 3.01Š| ||
| 1067 | K | 28.9 | Very low | 30.9 | Very low | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.857 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -66.3 | 122.8 | -155.3 | -61 | 172.5 | -176.7 | 173 | 0 | 114.9 | ||
| 1068 | K | 31.8 | Very low | 31 | Very low | 194 Ų | 194 | 130.5 Ų | 130.5 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -161 | 161 | 135.4 | -109.4 | 162.7 | -173.8 | 176.6 | 0 | 111.1 | N1066 | N1066-K1068 PolarHBondContact O-N 3.01Š| ||
| 1069 | E | 27.5 | Very low | 30.8 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -92 | 148.9 | -158.5 | -59.1 | 154.4 | 123.4 | 0 | 0 | 113.4 | ||||
| 1070 | I | 31 | Very low | 30.4 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | -175.3 | 149 | 117.2 | -92.8 | 157.1 | 0 | 0 | 0 | 111.6 | |||||
| 1071 | N | 27.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -54.6 | 149.5 | -167.8 | -55.8 | -37.3 | 0 | 0 | 0 | 118.7 | ||||
| 1072 | T | 29.9 | Very low | 30.2 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | 51.7 | 82.3 | 141.7 | 57.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1073 | L | 29.2 | Very low | 29.8 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 94% | 0.942 | 76% | 0.761 | S | S | * | * | trans | -157.3 | 162.2 | 142.9 | -109.1 | 155.7 | 0 | 0 | 0 | 110.3 | ||||
| 1074 | G | 29.9 | Very low | 29.8 | Very low | 54 Ų | 54 | 140.4 Ų | 140.4 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | trans | -73.7 | 168.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1076 | G1074-V1076 VanDerWaalsContact O-CG2 3.25Å; G1074-V1076 WeakPolarHBondContact O-CG2 3.19Å; G1074-V1076 PolarHBondContact O-N 2.93Å | ||
| 1075 | C | 30.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 141 Ų | 141 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | -58.9 | 119 | -175.8 | -172.3 | 0 | 0 | 0 | 0 | 113.5 | C1077 | C1075-C1077 PolarHBondContact O-N 3.4Å; C1075-C1077 PolarHBondContact SG-SG 3.48Å | ||
| 1076 | V | 30.4 | Very low | 29.5 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -99.1 | 54.8 | -175 | -162.9 | 0 | 0 | 0 | 0 | 112 | G1074 | G1074-V1076 VanDerWaalsContact O-CG2 3.25Å; G1074-V1076 WeakPolarHBondContact O-CG2 3.19Å; G1074-V1076 PolarHBondContact O-N 2.93Å | ||
| 1077 | C | 30.6 | Very low | 29.3 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 40% | 0.399 | 78% | 0.775 | S | S | . | * | trans | -143.1 | 60.5 | 173.8 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | C1075 Q1079 C1080 | C1075-C1077 PolarHBondContact O-N 3.4Å; C1075-C1077 PolarHBondContact SG-SG 3.48Å; C1077-Q1079 PolarHBondContact O-N 3.3Å; C1077-C1080 PolarHBondContact O-N 2.91Å | ||
| 1078 | G | 30.3 | Very low | 29.3 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 24.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 1079 | Q | 30.1 | Very low | 29.1 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 95% | 0.949 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.2 | 2.7 | 173.4 | -79 | -156 | -14.1 | 0 | 0 | 116.3 | C1077 | C1077-Q1079 PolarHBondContact O-N 3.3Š|
| 1080 | C | 27.5 | Very low | 28.9 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -119.6 | 24 | -169.9 | 62.5 | 0 | 0 | 0 | 0 | 116.8 | C1077 | C1077-C1080 PolarHBondContact O-N 2.91Š|
| 1081 | C | 31.4 | Very low | 28.7 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 46% | 0.459 | 76% | 0.762 | S | S | . | * | trans | -135 | 97.2 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | C1083 | C1081-C1083 PolarHBondContact O-N 2.92Š| ||
| 1082 | N | 28.5 | Very low | 28.7 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | trans | -84.5 | 54.6 | 173.4 | -157.2 | 14.5 | 0 | 0 | 0 | 111 | ||||
| 1083 | C | 29.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 68% | 0.676 | 76% | 0.76 | S | S | * | * | trans | -99.9 | 96.4 | -171.9 | -68 | 0 | 0 | 0 | 0 | 111.4 | C1081 | C1081-C1083 PolarHBondContact O-N 2.92Š| ||
| 1084 | V | 30.2 | Very low | 28.4 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -57.3 | 140.4 | 162 | 173.6 | 0 | 0 | 0 | 0 | 109.4 | S1086 | V1084-S1086 PolarHBondContact O-N 2.7Š| ||
| 1085 | H | 27.5 | Very low | 28.4 | Very low | 191 Ų | 191 | 129.6 Ų | 129.6 | 88% | 0.884 | 77% | 0.769 | S | S | * | * | trans | -55.8 | 126.4 | -175.8 | -68.8 | -105.8 | 0 | 0 | 0 | 113.1 | ||||
| 1086 | S | 26.1 | Very low | 28.4 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -148.5 | 90 | 149.5 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | V1084 | V1084-S1086 PolarHBondContact O-N 2.7Š| ||
| 1087 | S | 27.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -125.4 | 102.8 | 162.5 | -169.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1088 | K | 28.1 | Very low | 28 | Very low | 198 Ų | 198 | 139 Ų | 139 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -91.4 | 132.3 | 168.4 | -76.1 | -174.2 | 174.9 | -177 | 0 | 107.8 | ||||
| 1089 | N | 27.5 | Very low | 27.7 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -121.9 | 149.9 | 149.4 | -145.7 | -2.2 | 0 | 0 | 0 | 107.6 | ||||
| 1090 | S | 24.2 | Very low | 27.6 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | -106 | 179.7 | -157.6 | 64 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1091 | N | 27 | Very low | 27.5 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 78.2 | 116.3 | 177.3 | -37.1 | -10.8 | 0 | 0 | 0 | 111.6 | ||||
| 1092 | N | 27.1 | Very low | 27.2 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | cis | -159.5 | 171.2 | -1.3 | -113.8 | -6 | 0 | 0 | 0 | 107.4 | ||||
| 1093 | S | 27.6 | Very low | 27 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | cis | -170.5 | 156.2 | -3.3 | 36.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1094 | S | 25.5 | Very low | 26.7 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -169.1 | 135.3 | -6 | 43.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1095 | L | 29.7 | Very low | 26.6 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | trans | -145.2 | 131.7 | 156.1 | -146.5 | 84.9 | 0 | 0 | 0 | 111 | ||||
| 1096 | L | 29.9 | Very low | 26.5 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -21 | 146.3 | -171.2 | -66.9 | 162.1 | 0 | 0 | 0 | 122 | ||||
| 1097 | H | 24.1 | Very low | 26.5 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | -69.8 | 148.2 | 179.9 | -69.1 | -113 | 0 | 0 | 0 | 115.4 | ||||
| 1098 | I | 29.4 | Very low | 26.5 | Very low | 165 Ų | 165 | 157 Ų | 157 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | -134 | 140 | 122.4 | -63.6 | -172.9 | 0 | 0 | 0 | 108.1 | |||||
| 1099 | K | 22.6 | Very low | 26.5 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -92.2 | 147.6 | 168.8 | -85.4 | -173.6 | 164.3 | -157.6 | 0 | 110.9 | D1101 | K1099-D1101 IonicContact NZ-OD1 2.84Š| ||
| 1100 | P | 28.6 | Very low | 26.4 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -117.9 | 137.6 | 139.7 | 34.5 | -26.7 | 0 | 0 | 0 | 111.2 | ||||
| 1101 | D | 24.7 | Very low | 26.6 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -84.1 | -168.5 | 173.3 | -66.9 | -61.7 | 0 | 0 | 0 | 111.4 | K1099 | K1099-D1101 IonicContact NZ-OD1 2.84Š| ||
| 1102 | T | 25.2 | Very low | 26.7 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 56% | 0.558 | 77% | 0.768 | S | S | * | * | trans | -92.6 | 162.8 | -146.3 | 38.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1103 | W | 24.4 | Very low | 26.8 | Very low | 235 Ų | 235 | 152.1 Ų | 152.1 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | 96.8 | 135.7 | 155.1 | -50.8 | -64 | 0 | 0 | 0 | 119.6 | ||||
| 1104 | K | 24.4 | Very low | 26.9 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | 63.2 | 98.5 | 173.8 | -52.7 | 174 | -174.6 | 174.2 | 0 | 114.5 | ||||
| 1105 | D | 27.1 | Very low | 27.4 | Very low | 146 Ų | 146 | 150 Ų | 150 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | -160.8 | 143.3 | 67.2 | -95.8 | -28.3 | 0 | 0 | 0 | 113.9 | |||||
| 1106 | K | 25.8 | Very low | 27.6 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 92% | 0.922 | 73% | 0.728 | S | S | * | * | trans | -147.1 | 65.1 | 172.9 | -76.3 | -170 | 175.6 | 179.5 | 0 | 112.2 | ||||
| 1107 | R | 26.2 | Very low | 28.2 | Very low | 236 Ų | 236 | 144.9 Ų | 144.9 | 89% | 0.891 | 71% | 0.712 | S | S | * | * | trans | -140.4 | 8.7 | -179.8 | -85.1 | -165 | 171.7 | -173.7 | -3.3 | 117.9 | ||||
| 1108 | L | 27.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -112.5 | 16 | -167.2 | -71.5 | 174.5 | 0 | 0 | 0 | 117.7 | ||||
| 1109 | Y | 28.2 | Very low | 30.1 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 75% | 0.745 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -106.1 | -0.2 | -172.1 | -102.9 | -84.2 | 0 | 0 | 0 | 117.3 | L1112 | Y1109-L1112 HydrophobicContact CD1-CD1 4.23Å; Y1109-L1112 HydrophobicContact CE1-CD1 4.34Å |
| 1110 | S | 25.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -95.9 | -1.3 | -171 | 59 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1111 | S | 27.3 | Very low | 32.9 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -110.3 | -1.7 | -171.5 | 56.8 | 0 | 0 | 0 | 0 | 115.6 | M1113 | S1111-M1113 PolarHBondContact O-N 3.06Š|
| 1112 | L | 30.8 | Very low | 34.5 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 34% | 0.335 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | -5.8 | -158 | -82 | 161.1 | 0 | 0 | 0 | 117.1 | H446 Y1109 | H446-L1112 HydrophobicContact CB-CD2 4.32Å; Y1109-L1112 HydrophobicContact CD1-CD1 4.23Å; Y1109-L1112 HydrophobicContact CE1-CD1 4.34Å |
| 1113 | M | 28.5 | Very low | 35.9 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 85% | 0.847 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | 39.8 | -168.4 | -72.2 | -67.3 | 156.8 | 0 | 0 | 115.2 | S1111 | S1111-M1113 PolarHBondContact O-N 3.06Š|
| 1114 | C | 30.5 | Very low | 37.4 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | trans | -129.2 | 128.3 | 162.3 | -84.1 | 0 | 0 | 0 | 0 | 110.4 | H1116 | C1114-H1116 VanDerWaalsContact C-N 3.28Š| ||
| 1115 | P | 34.3 | Very low | 38.9 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 47% | 0.468 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -79 | -11.8 | 177.4 | 32.6 | -35.4 | 0 | 0 | 0 | 113.1 | I508 | I508-P1115 WeakPolarHBondContact CG2-O 3.34Š|
| 1116 | H | 35.3 | Very low | 40.5 | Very low | 98 Ų | 98 | 107.5 Ų | 107.5 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | trans | -122.1 | 119.6 | 178.2 | -67.1 | -58.7 | 0 | 0 | 0 | 110.2 | E512 C1114 | E512-H1116 IonicContact OE1-CE1 2.72Å; E512-H1116 IonicContact OE1-CG 2.7Å; E512-H1116 IonicContact OE1-ND1 3.67Å; E512-H1116 PolarHBondContact OE1-ND1 2.72Å; E512-H1116 WeakPolarHBondContact OE2-CA 3.16Å; C1114-H1116 VanDerWaalsContact C-N 3.28Å | ||
| 1117 | R | 42.4 | Very low | 41.9 | Very low | 139 Ų | 139 | 98.1 Ų | 98.1 | 53% | 0.525 | 48% | 0.478 | S | S | . | . | trans | -86 | 126.7 | 167.9 | -171.8 | -178.8 | -179.7 | -152.7 | -4.1 | 107.5 | E512 D513 R1119 | E512-R1117 PolarHBondContact OE2-N 2.81Å; D513-R1117 IonicContact OD1-CZ 3.23Å; D513-R1117 IonicContact OD1-NH1 2.74Å; D513-R1117 PolarHBondContact OD1-NH1 3.14Å; R1117-R1119 PolarHBondContact O-N 3.3Å | ||
| 1118 | R | 43 | Very low | 43.2 | Very low | 129 Ų | 129 | 91 Ų | 91 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | trans | -63.2 | 129.8 | 166.4 | -68.8 | -173.3 | -180 | -167.9 | 7.1 | 107.7 | G909 | G909-R1118 PolarHBondContact O-NH1 3.49Š| ||
| 1119 | R | 50.1 | Low | 44.4 | Very low | 71 Ų | 71 | 87.9 Ų | 87.9 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | trans | -44 | 147 | 179.3 | -67.5 | -172.9 | 168.1 | -114 | 15.3 | 112 | L515 D516 R1117 R1124 | L515-R1119 VanDerWaalsContact C-NH1 3.31Å; L515-R1119 PolarHBondContact O-NH1 2.98Å; D516-R1119 WeakPolarHBondContact OD1-CB 3.35Å; D516-R1119 VanDerWaalsContact OD1-CD 3.23Å; D516-R1119 WeakPolarHBondContact OD1-CD 3.39Å; D516-R1119 WeakPolarHBondContact OD1-CG 3.16Å; D516-R1119 IonicContact OD1-CZ 2.61Å; D516-R1119 IonicContact OD1-NE 3.94Å; D516-R1119 IonicContact OD1-NH1 2.59Å; D516-R1119 PolarHBondContact OD1-NH1 3.33Å; D516-R1119 WeakPolarHBondContact OD2-CA 3.48Å; R1117-R1119 PolarHBondContact O-N 3.3Å; R1119-R1124 PolarHBondContact O-NH1 3.43Å; R1119-R1124 PolarHBondContact O-NH2 2.95Å | ||
| 1120 | S | 57.3 | Low | 45.7 | Very low | 10 Ų | 10 | 79.7 Ų | 79.7 | 7% | 0.07 | 41% | 0.412 | C | S | . | . | trans | -56.4 | 144.6 | -179.2 | 78.3 | 0 | 0 | 0 | 0 | 111.3 | D516 E520 E1122 A1123 R1124 | D516-S1120 PolarHBondContact OD2-N 3.45Å; E520-S1120 PolarHBondContact OE1-OG 3.01Å; S1120-E1122 VanDerWaalsContact C-N 3.25Å; S1120-E1122 WeakPolarHBondContact CB-OE2 3.48Å; S1120-A1123 WeakPolarHBondContact OG-CB 3.3Å; S1120-A1123 PolarHBondContact OG-N 2.83Å; S1120-R1124 PolarHBondContact O-N 3Å; S1120-R1124 PolarHBondContact O-NH2 3.42Å | ||
| 1121 | W | 52.7 | Low | 47 | Very low | 132 Ų | 132 | 78 Ų | 78 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.7 | -35 | 175.6 | 165.1 | -106.6 | 0 | 0 | 0 | 109.7 | R1124 V1125 | W1121-R1124 VanDerWaalsContact CA-NH2 3.34Å; W1121-R1124 PolarHBondContact O-N 3.16Å; W1121-V1125 HydrophobicContact CD2-CG2 3.95Å; W1121-V1125 HydrophobicContact CE3-CG2 4.39Å; W1121-V1125 HydrophobicContact CG-CG2 4.49Å; W1121-V1125 HydrophobicContact CH2-CG2 4.08Å; W1121-V1125 HydrophobicContact CZ2-CG2 3.61Å; W1121-V1125 HydrophobicContact CZ3-CG2 4.45Å; W1121-V1125 WeakPolarHBondContact O-CG2 3.21Å; W1121-V1125 PolarHBondContact O-N 3.27Å |
| 1122 | E | 57.6 | Low | 48 | Very low | 122 Ų | 122 | 77.5 Ų | 77.5 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -53.8 | -50.4 | 172.3 | -59.2 | 68.5 | -150.7 | 0 | 0 | 111.1 | S1120 R1124 V1125 A1126 | S1120-E1122 VanDerWaalsContact C-N 3.25Å; S1120-E1122 WeakPolarHBondContact CB-OE2 3.48Å; E1122-R1124 PolarHBondContact O-N 3.08Å; E1122-V1125 PolarHBondContact O-N 3.23Å; E1122-A1126 WeakPolarHBondContact O-CB 3.44Å; E1122-A1126 PolarHBondContact O-N 2.76Å |
| 1123 | A | 55.8 | Low | 49 | Very low | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.008 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D516 V519 E520 S1120 A1126 A1127 | D516-A1123 HydrophobicContact CB-CB 4.3Å; V519-A1123 HydrophobicContact CG1-CB 4.19Å; E520-A1123 HydrophobicContact CG-CB 3.6Å; S1120-A1123 WeakPolarHBondContact OG-CB 3.3Å; S1120-A1123 PolarHBondContact OG-N 2.83Å; A1123-A1126 PolarHBondContact O-N 3.21Å; A1123-A1127 WeakPolarHBondContact O-CB 3.2Å; A1123-A1127 PolarHBondContact O-N 3.48Å |
| 1124 | R | 54.3 | Low | 49.9 | Very low | 73 Ų | 73 | 77 Ų | 77 | 28% | 0.275 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 177.6 | -76.9 | -174.4 | -71.5 | -81.6 | -7.9 | 111.3 | R1119 S1120 W1121 E1122 I1128 | R1119-R1124 PolarHBondContact O-NH1 3.43Å; R1119-R1124 PolarHBondContact O-NH2 2.95Å; S1120-R1124 PolarHBondContact O-N 3Å; S1120-R1124 PolarHBondContact O-NH2 3.42Å; W1121-R1124 VanDerWaalsContact CA-NH2 3.34Å; W1121-R1124 PolarHBondContact O-N 3.16Å; E1122-R1124 PolarHBondContact O-N 3.08Å; R1124-I1128 WeakPolarHBondContact O-CD1 3.43Å; R1124-I1128 VanDerWaalsContact O-CG1 3.26Å; R1124-I1128 WeakPolarHBondContact O-CG1 3.4Å; R1124-I1128 PolarHBondContact O-N 2.83Å; R1124-I1128 VanDerWaalsContact O-N 3.12Å |
| 1125 | V | 57.8 | Low | 50.3 | Low | 44 Ų | 44 | 75.1 Ų | 75.1 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 179.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | W1121 E1122 A1127 I1128 N1129 | W1121-V1125 HydrophobicContact CD2-CG2 3.95Å; W1121-V1125 HydrophobicContact CE3-CG2 4.39Å; W1121-V1125 HydrophobicContact CG-CG2 4.49Å; W1121-V1125 HydrophobicContact CH2-CG2 4.08Å; W1121-V1125 HydrophobicContact CZ2-CG2 3.61Å; W1121-V1125 HydrophobicContact CZ3-CG2 4.45Å; W1121-V1125 WeakPolarHBondContact O-CG2 3.21Å; W1121-V1125 PolarHBondContact O-N 3.27Å; E1122-V1125 PolarHBondContact O-N 3.23Å; V1125-A1127 PolarHBondContact O-N 3.11Å; V1125-I1128 PolarHBondContact O-N 3.32Å; V1125-N1129 WeakPolarHBondContact O-CB 3.39Å; V1125-N1129 PolarHBondContact O-N 2.95Å; V1125-N1129 PolarHBondContact O-OD1 3.01Å |
| 1126 | A | 60.6 | Low | 50.3 | Low | 39 Ų | 39 | 75 Ų | 75 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1122 A1123 N1129 S1130 | E1122-A1126 WeakPolarHBondContact O-CB 3.44Å; E1122-A1126 PolarHBondContact O-N 2.76Å; A1123-A1126 PolarHBondContact O-N 3.21Å; A1126-N1129 PolarHBondContact O-N 3.43Å; A1126-S1130 WeakPolarHBondContact O-CB 3.36Å; A1126-S1130 PolarHBondContact O-N 3.48Å |
| 1127 | A | 54.6 | Low | 50.3 | Low | 14 Ų | 14 | 81.5 Ų | 81.5 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | V519 A1123 V1125 S1130 I1131 | V519-A1127 HydrophobicContact CG1-CB 3.58Å; A1123-A1127 WeakPolarHBondContact O-CB 3.2Å; A1123-A1127 PolarHBondContact O-N 3.48Å; V1125-A1127 PolarHBondContact O-N 3.11Å; A1127-S1130 PolarHBondContact O-N 2.97Å; A1127-I1131 WeakPolarHBondContact O-CD1 3.19Å; A1127-I1131 VanDerWaalsContact O-CG1 3.3Å; A1127-I1131 WeakPolarHBondContact O-CG1 3.4Å; A1127-I1131 PolarHBondContact O-N 3.4Å; A1127-I1131 VanDerWaalsContact O-N 3.11Å |
| 1128 | I | 53.1 | Low | 49.8 | Very low | 88 Ų | 88 | 82.3 Ų | 82.3 | 45% | 0.451 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 174.4 | -70.7 | 167 | 0 | 0 | 0 | 110.3 | R1124 V1125 S1130 I1131 V1132 | R1124-I1128 WeakPolarHBondContact O-CD1 3.43Å; R1124-I1128 VanDerWaalsContact O-CG1 3.26Å; R1124-I1128 WeakPolarHBondContact O-CG1 3.4Å; R1124-I1128 PolarHBondContact O-N 2.83Å; R1124-I1128 VanDerWaalsContact O-N 3.12Å; V1125-I1128 PolarHBondContact O-N 3.32Å; I1128-S1130 PolarHBondContact O-N 3.28Å; I1128-I1131 PolarHBondContact O-N 2.86Å; I1128-V1132 HydrophobicContact CG2-CG2 4.32Å; I1128-V1132 WeakPolarHBondContact O-CB 3.5Å; I1128-V1132 VanDerWaalsContact O-CG2 3.29Å; I1128-V1132 WeakPolarHBondContact O-CG2 3.34Å; I1128-V1132 PolarHBondContact O-N 3.5Å |
| 1129 | N | 53 | Low | 49.2 | Very low | 79 Ų | 79 | 80.1 Ų | 80.1 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 178.8 | -67.3 | -4.6 | 0 | 0 | 0 | 111.4 | V1125 A1126 I1131 V1132 D1133 | V1125-N1129 WeakPolarHBondContact O-CB 3.39Å; V1125-N1129 PolarHBondContact O-N 2.95Å; V1125-N1129 PolarHBondContact O-OD1 3.01Å; A1126-N1129 PolarHBondContact O-N 3.43Å; N1129-I1131 PolarHBondContact O-N 3.28Å; N1129-V1132 PolarHBondContact O-N 2.79Å; N1129-V1132 VanDerWaalsContact O-N 3.09Å; N1129-D1133 WeakPolarHBondContact O-CB 3.45Å; N1129-D1133 PolarHBondContact O-N 3.22Å |
| 1130 | S | 55.5 | Low | 48 | Very low | 18 Ų | 18 | 82.4 Ų | 82.4 | 13% | 0.126 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.6 | -30.6 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 113.5 | E523 A1126 A1127 I1128 Q1134 | E523-S1130 VanDerWaalsContact CB-OG 3.32Å; E523-S1130 WeakPolarHBondContact CB-OG 3.45Å; A1126-S1130 WeakPolarHBondContact O-CB 3.36Å; A1126-S1130 PolarHBondContact O-N 3.48Å; A1127-S1130 PolarHBondContact O-N 2.97Å; I1128-S1130 PolarHBondContact O-N 3.28Å; S1130-Q1134 PolarHBondContact O-NE2 3.12Å |
| 1131 | I | 52.7 | Low | 46.8 | Very low | 85 Ų | 85 | 89.5 Ų | 89.5 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -76.7 | -46.7 | 172.2 | -67.7 | 166.1 | 0 | 0 | 0 | 110.4 | A1127 I1128 N1129 D1133 Q1134 | A1127-I1131 WeakPolarHBondContact O-CD1 3.19Å; A1127-I1131 VanDerWaalsContact O-CG1 3.3Å; A1127-I1131 WeakPolarHBondContact O-CG1 3.4Å; A1127-I1131 PolarHBondContact O-N 3.4Å; A1127-I1131 VanDerWaalsContact O-N 3.11Å; I1128-I1131 PolarHBondContact O-N 2.86Å; N1129-I1131 PolarHBondContact O-N 3.28Å; I1131-D1133 PolarHBondContact O-N 3.23Å; I1131-Q1134 PolarHBondContact O-N 3.33Å |
| 1132 | V | 49.2 | Very low | 45.7 | Very low | 88 Ų | 88 | 90.7 Ų | 90.7 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | -178.9 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | I1128 N1129 Q1134 V1135 | I1128-V1132 HydrophobicContact CG2-CG2 4.32Å; I1128-V1132 WeakPolarHBondContact O-CB 3.5Å; I1128-V1132 VanDerWaalsContact O-CG2 3.29Å; I1128-V1132 WeakPolarHBondContact O-CG2 3.34Å; I1128-V1132 PolarHBondContact O-N 3.5Å; N1129-V1132 PolarHBondContact O-N 2.79Å; N1129-V1132 VanDerWaalsContact O-N 3.09Å; V1132-Q1134 PolarHBondContact O-N 3.09Å; V1132-Q1134 VanDerWaalsContact O-N 3.17Å; V1132-V1135 WeakPolarHBondContact O-CB 3.38Å; V1132-V1135 PolarHBondContact O-N 2.93Å |
| 1133 | D | 50.9 | Low | 44.4 | Very low | 135 Ų | 135 | 90.4 Ų | 90.4 | 72% | 0.722 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -13.8 | 179.1 | -73.9 | -35.1 | 0 | 0 | 0 | 113.3 | N1129 I1131 | N1129-D1133 WeakPolarHBondContact O-CB 3.45Å; N1129-D1133 PolarHBondContact O-N 3.22Å; I1131-D1133 PolarHBondContact O-N 3.23Å |
| 1134 | Q | 47.1 | Very low | 43 | Very low | 90 Ų | 90 | 96.1 Ų | 96.1 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -1.8 | 174.3 | -70 | 179.6 | 82.7 | 0 | 0 | 113.4 | S1130 I1131 V1132 | S1130-Q1134 PolarHBondContact O-NE2 3.12Å; I1131-Q1134 PolarHBondContact O-N 3.33Å; V1132-Q1134 PolarHBondContact O-N 3.09Å; V1132-Q1134 VanDerWaalsContact O-N 3.17Å |
| 1135 | V | 39.3 | Very low | 41.6 | Very low | 51 Ų | 51 | 99.4 Ų | 99.4 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -80.1 | 129.9 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | Y732 V1132 R1137 I1139 | Y732-V1135 HydrophobicContact CD1-CG1 3.93Å; Y732-V1135 HydrophobicContact CD1-CG2 4.34Å; Y732-V1135 HydrophobicContact CE1-CG1 3.67Å; Y732-V1135 HydrophobicContact CE1-CG2 4.2Å; V1132-V1135 WeakPolarHBondContact O-CB 3.38Å; V1132-V1135 PolarHBondContact O-N 2.93Å; V1135-R1137 PolarHBondContact O-N 3.28Å; V1135-I1139 HydrophobicContact CG1-CD1 4.11Å |
| 1136 | P | 34 | Very low | 40 | Very low | 70 Ų | 70 | 103.3 Ų | 103.3 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | trans | -61.5 | 135.7 | 176.7 | -24.3 | 34.6 | 0 | 0 | 0 | 113.1 | N1138 | P1136-N1138 PolarHBondContact O-N 2.85Š| ||
| 1137 | R | 35.5 | Very low | 38.3 | Very low | 233 Ų | 233 | 110.9 Ų | 110.9 | 88% | 0.879 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 4.3 | -175 | -61.3 | -172.8 | -179.1 | -165.6 | 0.2 | 116.5 | V1135 | V1135-R1137 PolarHBondContact O-N 3.28Š|
| 1138 | N | 32 | Very low | 37 | Very low | 157 Ų | 157 | 114.7 Ų | 114.7 | 84% | 0.84 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 11.7 | -170 | -64.7 | 2.7 | 0 | 0 | 0 | 113.5 | P1136 | P1136-N1138 PolarHBondContact O-N 2.85Š|
| 1139 | I | 29.7 | Very low | 35.9 | Very low | 82 Ų | 82 | 115.2 Ų | 115.2 | 42% | 0.421 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -95 | 132.4 | 172.3 | -64 | 173.3 | 0 | 0 | 0 | 107.4 | Y732 V1135 H1141 | Y732-I1139 HydrophobicContact CD1-CD1 3.7Å; Y732-I1139 HydrophobicContact CE1-CD1 3.49Å; Y732-I1139 VanDerWaalsContact CE1-CD1 3.49Å; V1135-I1139 HydrophobicContact CG1-CD1 4.11Å; I1139-H1141 PolarHBondContact O-N 2.85Å |
| 1140 | P | 26.4 | Very low | 34.6 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 77% | 0.773 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -61 | 130.4 | -170.5 | 23.8 | -34.4 | 0 | 0 | 0 | 111.5 | L1142 | P1140-L1142 PolarHBondContact O-N 3.5Š|
| 1141 | H | 30.7 | Very low | 33.3 | Very low | 159 Ų | 159 | 131 Ų | 131 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -55 | 138.5 | -178.6 | -57.7 | -71.1 | 0 | 0 | 0 | 111.6 | I1139 V1143 | I1139-H1141 PolarHBondContact O-N 2.85Å; H1141-V1143 WeakPolarHBondContact O-CG2 3.42Å; H1141-V1143 PolarHBondContact O-N 3.12Å |
| 1142 | L | 30.7 | Very low | 32.1 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | -55.1 | 114 | 159.1 | -172.5 | 80.2 | 0 | 0 | 0 | 107.1 | P1140 L1144 | P1140-L1142 PolarHBondContact O-N 3.5Å; L1142-L1144 VanDerWaalsContact C-N 3.27Å; L1142-L1144 PolarHBondContact O-N 3.02Å | ||
| 1143 | V | 30.2 | Very low | 31 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | trans | -76 | 78.2 | -164.1 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | H1141 L1145 | H1141-V1143 WeakPolarHBondContact O-CG2 3.42Å; H1141-V1143 PolarHBondContact O-N 3.12Å; V1143-L1145 HydrophobicContact CG1-CD2 3.6Å; V1143-L1145 HydrophobicContact CG1-CG 3.96Å; V1143-L1145 PolarHBondContact O-N 3.41Å | ||
| 1144 | L | 26.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 63% | 0.634 | 71% | 0.709 | S | S | * | * | trans | -72.7 | 98.4 | 158 | -74.5 | 167.9 | 0 | 0 | 0 | 107.8 | L1142 T1146 | L1142-L1144 VanDerWaalsContact C-N 3.27Å; L1142-L1144 PolarHBondContact O-N 3.02Å; L1144-T1146 PolarHBondContact O-N 2.7Å; L1144-T1146 VanDerWaalsContact O-N 3.07Å | ||
| 1145 | L | 25 | Very low | 28.9 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -68.2 | 102.5 | 174.5 | -67.3 | 175.5 | 0 | 0 | 0 | 110.2 | V1143 | V1143-L1145 HydrophobicContact CG1-CD2 3.6Å; V1143-L1145 HydrophobicContact CG1-CG 3.96Å; V1143-L1145 PolarHBondContact O-N 3.41Å | ||
| 1146 | T | 24.1 | Very low | 28.5 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | -110.7 | 99.1 | 162.5 | 45.7 | 0 | 0 | 0 | 0 | 109.4 | L1144 | L1144-T1146 PolarHBondContact O-N 2.7Å; L1144-T1146 VanDerWaalsContact O-N 3.07Å | ||
| 1147 | E | 23.7 | Very low | 28.3 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | trans | -104.3 | 154.2 | 168.8 | -160.4 | 164.4 | -132.8 | 0 | 0 | 110.6 | ||||
| 1148 | S | 28.4 | Very low | 28.1 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -114 | 165.5 | -145.7 | 62.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1149 | S | 29.1 | Very low | 27.9 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | 176.4 | 151.2 | 157.9 | 31.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1150 | Y | 25.8 | Very low | 28.2 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | cis | -166.8 | 147.5 | -31.9 | -120.6 | -64.8 | 0 | 0 | 0 | 107.1 | ||||
| 1151 | Y | 28.8 | Very low | 28.2 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | 164.3 | 126.6 | 144.5 | -92.4 | -61.4 | 0 | 0 | 0 | 109.1 | ||||
| 1152 | G | 26.2 | Very low | 27.9 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | cis | -168.9 | 157.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1153 | G | 26.8 | Very low | 27.6 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 177.1 | 106.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1154 | K | 25 | Very low | 27.7 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | -45.8 | 143.9 | 179.5 | -53.1 | 167.4 | -174.9 | 180 | 0 | 111.5 | ||||
| 1155 | S | 29.1 | Very low | 27.6 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | -157.2 | 162.2 | 50.2 | -132.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1156 | E | 29.6 | Very low | 27.7 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 24.5 | 142.3 | 137.6 | -64.4 | 154.3 | 164 | 0 | 0 | 121.4 | ||||
| 1157 | D | 30.3 | Very low | 27.8 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | cis | -171.7 | 173.4 | -19.3 | -143.8 | -32.7 | 0 | 0 | 0 | 110.7 | ||||
| 1158 | I | 30.8 | Very low | 28.1 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 78.2 | 148.4 | 154.9 | -75.9 | 165.9 | 0 | 0 | 0 | 119.1 | ||||
| 1159 | P | 29.1 | Very low | 28 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -124 | -177.8 | -138.2 | 45.2 | -32.8 | 0 | 0 | 0 | 117.2 | ||||
| 1160 | P | 36.1 | Very low | 27.8 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -108.6 | 168 | -164.4 | 40.7 | -35.1 | 0 | 0 | 0 | 116.8 | ||||
| 1161 | S | 25.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -161.6 | 122.9 | 161.2 | 57.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1162 | I | 24.9 | Very low | 27.6 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | 66.3 | 109.7 | 131.3 | -54.9 | 169.2 | 0 | 0 | 0 | 121.5 | ||||
| 1163 | Y | 24.8 | Very low | 27.6 | Very low | 215 Ų | 215 | 133.7 Ų | 133.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 4.6 | 157 | 131 | -73.9 | -80.5 | 0 | 0 | 0 | 121.1 | ||||
| 1164 | P | 31.7 | Very low | 27.7 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | cis | -146 | -161.5 | 44.5 | 41.7 | -19.2 | 0 | 0 | 0 | 116.5 | ||||
| 1165 | A | 25.4 | Very low | 28 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -120.1 | 159.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1166 | T | 25.5 | Very low | 27.9 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 93% | 0.933 | 78% | 0.783 | S | S | * | * | trans | 173.9 | 165.8 | 141.7 | 24.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1167 | G | 27.3 | Very low | 27.7 | Very low | 83 Ų | 83 | 140.8 Ų | 140.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 103.1 | 140 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1168 | S | 29.5 | Very low | 27.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -126.1 | 156.3 | -171.6 | -161 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1169 | I | 26 | Very low | 27.5 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | 74.3 | 109.4 | 160.6 | -68.7 | 155.2 | 0 | 0 | 0 | 118.3 | ||||
| 1170 | R | 25.5 | Very low | 27.8 | Very low | 231 Ų | 231 | 141.4 Ų | 141.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | 53.8 | 144.6 | 135.4 | -60.5 | -179.1 | 176.8 | 171 | -3.1 | 119.2 | ||||
| 1171 | S | 25.1 | Very low | 27.4 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -170 | 170.9 | 22.4 | -136.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1172 | S | 25.5 | Very low | 27.6 | Very low | 83 Ų | 83 | 145 Ų | 145 | 58% | 0.58 | 79% | 0.79 | S | S | * | * | trans | 67.8 | 133.3 | 148.2 | 69.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1173 | T | 27 | Very low | 27.6 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | -102.6 | 137.3 | 129.8 | 43.1 | 0 | 0 | 0 | 0 | 108.7 | |||
| 1174 | F | 27.1 | Very low | 27.6 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 150.4 | -172.2 | -111.2 | -100.7 | 0 | 0 | 0 | 112.9 | ||
| 1175 | S | 31.6 | Very low | 27.3 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 154.8 | 155.8 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1176 | R | 27.2 | Very low | 27.3 | Very low | 212 Ų | 212 | 144.7 Ų | 144.7 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -152.4 | 100.6 | -175.9 | -148.1 | 179.4 | -160.3 | -155 | 6.3 | 117 | ||||
| 1177 | Q | 26.7 | Very low | 27.2 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -175.2 | 132.9 | 149 | -100 | 167 | 19.1 | 0 | 0 | 106.2 | ||||
| 1178 | S | 29.4 | Very low | 27.1 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | -158.2 | 167.6 | -7.3 | 41.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1179 | Y | 25.8 | Very low | 26.8 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | -61.3 | -179.2 | 178.6 | -72.7 | -84.1 | 0 | 0 | 0 | 115.7 | ||||
| 1180 | P | 36.4 | Very low | 26.7 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -116.2 | -172.8 | 0.3 | 5.9 | 22.1 | 0 | 0 | 0 | 114.5 | ||||
| 1181 | D | 27.7 | Very low | 26.6 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | cis | -157 | -174 | 43.1 | -131.8 | -30.4 | 0 | 0 | 0 | 117 | ||||
| 1182 | M | 29.4 | Very low | 26.6 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | -94 | 152.2 | -146.4 | -70.6 | -70.7 | -175.9 | 0 | 0 | 122.1 | ||||
| 1183 | S | 25.9 | Very low | 26.6 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | 4.8 | 155.8 | 141.3 | 68.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1184 | Y | 24.8 | Very low | 26.4 | Very low | 211 Ų | 211 | 143.7 Ų | 143.7 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | cis | -166.5 | 177.5 | -2.7 | -133 | -106.8 | 0 | 0 | 0 | 111.6 | ||||
| 1185 | D | 25.2 | Very low | 26.3 | Very low | 115 Ų | 115 | 142 Ų | 142 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | 88.3 | 120.3 | 149.4 | -91.8 | -25.6 | 0 | 0 | 0 | 126.7 | ||||
| 1186 | Q | 25 | Very low | 26 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 63.5 | 107.8 | 133 | -76.4 | 172.3 | 68.5 | 0 | 0 | 126.4 | ||||
| 1187 | S | 24.2 | Very low | 25.9 | Very low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 104.4 | 142.4 | 111.9 | 75.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1188 | E | 23.9 | Very low | 26 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 72.7 | 134.2 | 153.9 | -84.9 | -166.2 | -140.5 | 0 | 0 | 125.3 | ||||
| 1189 | N | 23.6 | Very low | 26 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | trans | 67.7 | 149.9 | 153.2 | -61.7 | -36.1 | 0 | 0 | 0 | 119.3 | ||||
| 1190 | L | 24.1 | Very low | 26 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | cis | -152.7 | -179.7 | -1.7 | -125.1 | 168.6 | 0 | 0 | 0 | 111.2 | ||||
| 1191 | S | 22.7 | Very low | 25.6 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -85.3 | 157.6 | -169.9 | 58.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1192 | S | 26.5 | Very low | 25.6 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | trans | -147.9 | 169.8 | 148 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1193 | S | 24.1 | Very low | 25.5 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -151.3 | 151.8 | -155 | 62.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1194 | L | 23.1 | Very low | 25.5 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 67.6 | 137 | 150 | -75.6 | 163.9 | 0 | 0 | 0 | 120.7 | ||||
| 1195 | N | 25.8 | Very low | 25.9 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 70.5 | 146.7 | 163.8 | -55.3 | -39.3 | 0 | 0 | 0 | 115.9 | ||||
| 1196 | R | 25.2 | Very low | 25.9 | Very low | 193 Ų | 193 | 137 Ų | 137 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | cis | -157.6 | 147.5 | 6.5 | -151.6 | 176.9 | 154.1 | -177.2 | -19 | 111.9 | ||||
| 1197 | E | 24.6 | Very low | 26.1 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | trans | 61.8 | 146.5 | 161.2 | -80.9 | 142.3 | -167.3 | 0 | 0 | 118 | ||||
| 1198 | S | 29.6 | Very low | 26.7 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -150.3 | 145.1 | 9.1 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1199 | C | 27.8 | Very low | 27.6 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | 59.9 | 105.5 | 166.5 | -56.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1200 | S | 26.7 | Very low | 28.3 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | 69.5 | 136 | 59.5 | 82.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1201 | S | 27.8 | Very low | 29 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | cis | 160.8 | 157.1 | 9.6 | -105.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1202 | D | 28.6 | Very low | 29.8 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | cis | -145.6 | -171.5 | 5.2 | -81.8 | -40.2 | 0 | 0 | 0 | 110.7 | ||||
| 1203 | W | 26.1 | Very low | 30.5 | Very low | 234 Ų | 234 | 129.9 Ų | 129.9 | 89% | 0.886 | 72% | 0.719 | S | S | * | * | trans | -136.6 | 166.7 | -174.3 | -106.5 | 46.9 | 0 | 0 | 0 | 112.9 | ||||
| 1204 | M | 26.8 | Very low | 31.5 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | trans | 69.2 | 168.4 | 155.3 | -83.2 | 171 | 63.2 | 0 | 0 | 119.1 | ||||
| 1205 | P | 31.6 | Very low | 32.9 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | cis | -125.9 | -170.6 | -6.2 | 23.9 | 0.4 | 0 | 0 | 0 | 114.9 | ||||
| 1206 | V | 25.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 124 Ų | 124 | 95% | 0.945 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -57.5 | 136 | 178.6 | -179 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1207 | G | 30.4 | Very low | 35.1 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | trans | 152.3 | 2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1208 | T | 36.6 | Very low | 36 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | trans | -118.1 | 138.2 | -166.4 | 41.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1209 | N | 41.3 | Very low | 36.4 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | trans | -74.5 | 138.9 | 171.1 | -84.1 | -52.9 | 0 | 0 | 0 | 110.9 | L1211 D1212 H1213 | N1209-L1211 PolarHBondContact O-N 3.49Å; N1209-D1212 PolarHBondContact O-N 2.9Å; N1209-D1212 VanDerWaalsContact O-N 3.1Å; N1209-H1213 PolarHBondContact O-N 3.13Å | ||
| 1210 | I | 39.3 | Very low | 37 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58.7 | -33 | 177.5 | -78.9 | 172.5 | 0 | 0 | 0 | 112 | D1212 H1213 V1214 | I1210-D1212 PolarHBondContact O-N 3.13Å; I1210-H1213 PolarHBondContact O-N 3.29Å; I1210-H1213 VanDerWaalsContact O-N 3.16Å; I1210-V1214 HydrophobicContact CG2-CG2 4.45Å; I1210-V1214 PolarHBondContact O-N 2.86Å |
| 1211 | L | 38.3 | Very low | 37.6 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 66% | 0.66 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.3 | -39.9 | 176.2 | -77.8 | 166.4 | 0 | 0 | 0 | 112.7 | N1209 H1213 V1214 I1215 | N1209-L1211 PolarHBondContact O-N 3.49Å; L1211-H1213 VanDerWaalsContact C-N 3.26Å; L1211-H1213 PolarHBondContact O-N 3.5Å; L1211-V1214 PolarHBondContact O-N 2.96Å; L1211-I1215 WeakPolarHBondContact O-CB 3.45Å; L1211-I1215 VanDerWaalsContact O-CG1 3.27Å; L1211-I1215 WeakPolarHBondContact O-CG1 3.37Å; L1211-I1215 PolarHBondContact O-N 2.94Å |
| 1212 | D | 39.1 | Very low | 37.9 | Very low | 88 Ų | 88 | 120 Ų | 120 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.3 | -30.7 | 175.8 | -71.7 | -53.8 | 0 | 0 | 0 | 111.8 | N1209 I1210 N1216 | N1209-D1212 PolarHBondContact O-N 2.9Å; N1209-D1212 VanDerWaalsContact O-N 3.1Å; I1210-D1212 PolarHBondContact O-N 3.13Å; D1212-N1216 WeakPolarHBondContact O-CB 3.35Å; D1212-N1216 PolarHBondContact O-N 3.35Å; D1212-N1216 PolarHBondContact O-ND2 3.04Å |
| 1213 | H | 42.5 | Very low | 38.1 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74 | -35 | 174.4 | -111.8 | -58.3 | 0 | 0 | 0 | 113 | N1209 I1210 L1211 F1217 | N1209-H1213 PolarHBondContact O-N 3.13Å; I1210-H1213 PolarHBondContact O-N 3.29Å; I1210-H1213 VanDerWaalsContact O-N 3.16Å; L1211-H1213 VanDerWaalsContact C-N 3.26Å; L1211-H1213 PolarHBondContact O-N 3.5Å; H1213-F1217 WeakPolarHBondContact O-CB 3.41Å; H1213-F1217 PolarHBondContact O-N 3.3Å |
| 1214 | V | 44.9 | Very low | 38.5 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.6 | -42.3 | 174 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | I1210 L1211 F1217 L1218 | I1210-V1214 HydrophobicContact CG2-CG2 4.45Å; I1210-V1214 PolarHBondContact O-N 2.86Å; L1211-V1214 PolarHBondContact O-N 2.96Å; V1214-F1217 PolarHBondContact O-N 3.05Å; V1214-L1218 HydrophobicContact CG1-CD1 4.05Å; V1214-L1218 WeakPolarHBondContact O-CB 3.19Å; V1214-L1218 WeakPolarHBondContact O-CG 3.34Å; V1214-L1218 PolarHBondContact O-N 3.37Å |
| 1215 | I | 51.1 | Low | 38.7 | Very low | 101 Ų | 101 | 114.2 Ų | 114.2 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.3 | -41.8 | 176.1 | -68.4 | 168.2 | 0 | 0 | 0 | 110.3 | L1211 S1219 | L1211-I1215 WeakPolarHBondContact O-CB 3.45Å; L1211-I1215 VanDerWaalsContact O-CG1 3.27Å; L1211-I1215 WeakPolarHBondContact O-CG1 3.37Å; L1211-I1215 PolarHBondContact O-N 2.94Å; I1215-S1219 WeakPolarHBondContact O-CB 3.38Å; I1215-S1219 PolarHBondContact O-N 3.07Å |
| 1216 | N | 46.3 | Very low | 38.6 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.2 | -30.7 | 172.3 | -78.3 | -69.5 | 0 | 0 | 0 | 113 | D1212 H1220 | D1212-N1216 WeakPolarHBondContact O-CB 3.35Å; D1212-N1216 PolarHBondContact O-N 3.35Å; D1212-N1216 PolarHBondContact O-ND2 3.04Å; N1216-H1220 WeakPolarHBondContact O-CA 3.32Å; N1216-H1220 WeakPolarHBondContact O-CB 3.43Å; N1216-H1220 PolarHBondContact O-N 3Å |
| 1217 | F | 51.1 | Low | 38.6 | Very low | 135 Ų | 135 | 116.5 Ų | 116.5 | 59% | 0.592 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66 | -47.6 | 173.1 | 179 | -103.3 | 0 | 0 | 0 | 111.4 | H1213 V1214 H1220 C1221 | H1213-F1217 WeakPolarHBondContact O-CB 3.41Å; H1213-F1217 PolarHBondContact O-N 3.3Å; V1214-F1217 PolarHBondContact O-N 3.05Å; F1217-H1220 PolarHBondContact O-N 3.12Å; F1217-C1221 WeakPolarHBondContact O-CB 3.48Å; F1217-C1221 PolarHBondContact O-N 2.78Å; F1217-C1221 PolarHBondContact O-SG 2.98Å; F1217-C1221 VanDerWaalsContact O-SG 3.35Å |
| 1218 | L | 43.3 | Very low | 38.4 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -41.8 | 176.4 | -67.6 | 172.3 | 0 | 0 | 0 | 111.7 | V1214 H1220 C1221 W1222 | V1214-L1218 HydrophobicContact CG1-CD1 4.05Å; V1214-L1218 WeakPolarHBondContact O-CB 3.19Å; V1214-L1218 WeakPolarHBondContact O-CG 3.34Å; V1214-L1218 PolarHBondContact O-N 3.37Å; L1218-H1220 VanDerWaalsContact C-N 3.35Å; L1218-H1220 PolarHBondContact O-N 2.95Å; L1218-C1221 PolarHBondContact O-N 2.64Å; L1218-W1222 WeakPolarHBondContact O-CB 3.4Å; L1218-W1222 PolarHBondContact O-N 2.95Å |
| 1219 | S | 39.8 | Very low | 37.9 | Very low | 47 Ų | 47 | 122 Ų | 122 | 33% | 0.329 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.6 | -36.5 | 173 | -178 | 0 | 0 | 0 | 0 | 112.4 | I1215 W1222 N1223 | I1215-S1219 WeakPolarHBondContact O-CB 3.38Å; I1215-S1219 PolarHBondContact O-N 3.07Å; S1219-W1222 PolarHBondContact O-N 3.3Å; S1219-N1223 WeakPolarHBondContact O-CB 3.4Å; S1219-N1223 PolarHBondContact O-N 3.41Å; S1219-N1223 PolarHBondContact O-ND2 2.85Å; S1219-N1223 PolarHBondContact OG-ND2 3.23Å |
| 1220 | H | 40 | Very low | 37.1 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 49% | 0.491 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.1 | -29.6 | 176.6 | -172.6 | 70.2 | 0 | 0 | 0 | 112.4 | N1216 F1217 L1218 K1224 | N1216-H1220 WeakPolarHBondContact O-CA 3.32Å; N1216-H1220 WeakPolarHBondContact O-CB 3.43Å; N1216-H1220 PolarHBondContact O-N 3Å; F1217-H1220 PolarHBondContact O-N 3.12Å; L1218-H1220 VanDerWaalsContact C-N 3.35Å; L1218-H1220 PolarHBondContact O-N 2.95Å; H1220-K1224 VanDerWaalsContact NE2-CE 3.28Å; H1220-K1224 WeakPolarHBondContact NE2-CE 3.2Å; H1220-K1224 PolarHBondContact NE2-NZ 3.17Å; H1220-K1224 WeakPolarHBondContact O-CB 3.27Å; H1220-K1224 WeakPolarHBondContact O-CD 3.35Å; H1220-K1224 WeakPolarHBondContact O-CG 3.38Å; H1220-K1224 PolarHBondContact O-N 3.26Å; H1220-K1224 VanDerWaalsContact O-N 3.15Å |
| 1221 | C | 38.3 | Very low | 36.4 | Very low | 65 Ų | 65 | 118.2 Ų | 118.2 | 44% | 0.439 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.2 | -43.6 | 169.4 | -72.6 | 0 | 0 | 0 | 0 | 111.7 | F1217 L1218 K1224 | F1217-C1221 WeakPolarHBondContact O-CB 3.48Å; F1217-C1221 PolarHBondContact O-N 2.78Å; F1217-C1221 PolarHBondContact O-SG 2.98Å; F1217-C1221 VanDerWaalsContact O-SG 3.35Å; L1218-C1221 PolarHBondContact O-N 2.64Å; C1221-K1224 PolarHBondContact O-N 3.47Å |
| 1222 | W | 34.1 | Very low | 35.9 | Very low | 212 Ų | 212 | 121.3 Ų | 121.3 | 80% | 0.803 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.4 | -48.5 | 179.3 | -159.4 | -98.6 | 0 | 0 | 0 | 111.8 | L1218 S1219 K1224 M1225 | L1218-W1222 WeakPolarHBondContact O-CB 3.4Å; L1218-W1222 PolarHBondContact O-N 2.95Å; S1219-W1222 PolarHBondContact O-N 3.3Å; W1222-K1224 VanDerWaalsContact C-N 3.27Å; W1222-K1224 PolarHBondContact O-N 3.48Å; W1222-M1225 PolarHBondContact O-N 3.45Å |
| 1223 | N | 34.3 | Very low | 35.2 | Very low | 99 Ų | 99 | 127 Ų | 127 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -1.3 | 177.4 | -63.5 | -57.9 | 0 | 0 | 0 | 114.1 | S1219 | S1219-N1223 WeakPolarHBondContact O-CB 3.4Å; S1219-N1223 PolarHBondContact O-N 3.41Å; S1219-N1223 PolarHBondContact O-ND2 2.85Å; S1219-N1223 PolarHBondContact OG-ND2 3.23Å |
| 1224 | K | 34.1 | Very low | 34.3 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 65% | 0.652 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -17.1 | 161.8 | -93.8 | 175 | 164.5 | 166.5 | 0 | 113.1 | H1220 C1221 W1222 | H1220-K1224 VanDerWaalsContact NE2-CE 3.28Å; H1220-K1224 WeakPolarHBondContact NE2-CE 3.2Å; H1220-K1224 PolarHBondContact NE2-NZ 3.17Å; H1220-K1224 WeakPolarHBondContact O-CB 3.27Å; H1220-K1224 WeakPolarHBondContact O-CD 3.35Å; H1220-K1224 WeakPolarHBondContact O-CG 3.38Å; H1220-K1224 PolarHBondContact O-N 3.26Å; H1220-K1224 VanDerWaalsContact O-N 3.15Å; C1221-K1224 PolarHBondContact O-N 3.47Å; W1222-K1224 VanDerWaalsContact C-N 3.27Å; W1222-K1224 PolarHBondContact O-N 3.48Å |
| 1225 | M | 30.7 | Very low | 33.6 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 82% | 0.823 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -95.3 | -6.5 | -175.8 | -134.1 | 173.2 | -172.2 | 0 | 0 | 114.1 | W1222 | W1222-M1225 PolarHBondContact O-N 3.45Š|
| 1226 | N | 29 | Very low | 32.6 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -147.2 | 136.6 | 165.3 | -107.3 | -50.2 | 0 | 0 | 0 | 112.3 | ||
| 1227 | Q | 26.8 | Very low | 31.7 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | 61.1 | 74.1 | 174.2 | -54.8 | -167.1 | 29.8 | 0 | 0 | 117.5 | ||||
| 1228 | N | 26.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -126.8 | 77.1 | 141.2 | -144 | -33.1 | 0 | 0 | 0 | 110.7 | ||||
| 1229 | V | 26.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 142 Ų | 142 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | -82.1 | 119.1 | 173.7 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1230 | S | 24.8 | Very low | 29 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 57% | 0.566 | 73% | 0.73 | S | S | * | * | trans | -150.4 | 82.4 | 164.8 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | K1232 | S1230-K1232 PolarHBondContact O-N 3.04Š| ||
| 1231 | S | 24.1 | Very low | 28.3 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -68.7 | 76.3 | 158 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | Y1233 | S1231-Y1233 PolarHBondContact O-N 2.59Š| ||
| 1232 | K | 27.7 | Very low | 27.5 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -72.1 | 98.4 | -179.8 | -123.2 | 177.5 | -175.6 | 176.4 | 0 | 109.9 | S1230 | S1230-K1232 PolarHBondContact O-N 3.04Š| ||
| 1233 | Y | 23.7 | Very low | 27.2 | Very low | 209 Ų | 209 | 152.3 Ų | 152.3 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | trans | -45.1 | 139 | 170.5 | -88.6 | -118.7 | 0 | 0 | 0 | 112 | S1231 | S1231-Y1233 PolarHBondContact O-N 2.59Š| ||
| 1234 | V | 24.8 | Very low | 26.7 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | 173.4 | 143.2 | 104.2 | 155.9 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1235 | G | 28.5 | Very low | 26.2 | Very low | 61 Ų | 61 | 152.5 Ų | 152.5 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 119.5 | 46.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 1236 | K | 30.5 | Very low | 26 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 178.4 | 112.3 | 137.1 | -96.3 | 147.3 | -168.6 | 174.4 | 0 | 111.4 | ||
| 1237 | Y | 27.3 | Very low | 25.8 | Very low | 222 Ų | 222 | 151.8 Ų | 151.8 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 45.9 | 125.9 | 165 | -53.7 | -82.3 | 0 | 0 | 0 | 117.9 | ||
| 1238 | K | 25.2 | Very low | 25.7 | Very low | 201 Ų | 201 | 151 Ų | 151 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | cis | -153.5 | 165 | 21.7 | -156.7 | 175.8 | -176.4 | -179.9 | 0 | 110.5 | ||||
| 1239 | N | 27.2 | Very low | 25.8 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -131.7 | 165.6 | -175.9 | -138.1 | 9.1 | 0 | 0 | 0 | 108.2 | ||||
| 1240 | T | 25.6 | Very low | 25.7 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | cis | -149.4 | -173.4 | 18.4 | -34.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1241 | C | 25.7 | Very low | 25.8 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | -37.1 | 160.8 | 158.2 | -71.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1242 | R | 21.4 | Very low | 26 | Very low | 224 Ų | 224 | 152.8 Ų | 152.8 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 37.5 | 117.5 | 148.8 | -64.1 | 175.1 | -178.8 | 163.5 | -0.3 | 117.2 | ||||
| 1243 | F | 27.5 | Very low | 25.8 | Very low | 204 Ų | 204 | 149.8 Ų | 149.8 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | -169 | 170.1 | 112.5 | -99.2 | -64.5 | 0 | 0 | 0 | 110.5 | |||||
| 1244 | T | 23.8 | Very low | 25.7 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | -76.8 | 148.1 | -175.3 | 45.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1245 | T | 23.8 | Very low | 25.8 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | 66 | 146.3 | 171.5 | 61.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1246 | S | 26.1 | Very low | 25.5 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -163.6 | 168.6 | -11.9 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1247 | K | 25.2 | Very low | 25.2 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 55.7 | 104 | 158 | -67.5 | 175.5 | 179.5 | -178.9 | 0 | 118.4 | ||||
| 1248 | N | 23.9 | Very low | 25.4 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | -174.6 | 170.3 | 129.8 | -95 | -17.2 | 0 | 0 | 0 | 110.4 | |||||
| 1249 | S | 28.4 | Very low | 25.3 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 55.7 | 102.2 | -178 | 51.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1250 | E | 23.5 | Very low | 25.1 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -81.1 | 159.6 | 173.7 | -55.5 | 127.6 | 132.1 | 0 | 0 | 112.5 | ||||
| 1251 | I | 27.4 | Very low | 25.1 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 177.7 | 138.8 | 136.9 | -93.8 | 156.1 | 0 | 0 | 0 | 109.6 | ||||
| 1252 | S | 28 | Very low | 25 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 43% | 0.434 | 74% | 0.741 | S | S | . | * | trans | 19.7 | 151.7 | 174.1 | 29.2 | 0 | 0 | 0 | 0 | 122.5 | S1337 | S1252-S1337 CarbonylContact C-O 3.17Å; S1252-S1337 WeakPolarHBondContact CB-O 3.46Å | ||
| 1253 | N | 24.1 | Very low | 25.1 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | cis | 67.2 | 83.8 | 18.7 | -73.5 | -13 | 0 | 0 | 0 | 121.2 | S1337 H1338 | N1253-S1337 CarbonylContact C-O 3.55Å; N1253-S1337 VanDerWaalsContact CA-O 3.25Å; N1253-S1337 WeakPolarHBondContact CA-O 3.36Å; N1253-S1337 PolarHBondContact N-O 3.14Å; N1253-H1338 WeakPolarHBondContact CA-O 3.44Å; N1253-H1338 PolarHBondContact N-O 2.97Å | ||
| 1254 | S | 22 | Very low | 25 | Very low | 62 Ų | 62 | 124.3 Ų | 124.3 | 43% | 0.434 | 73% | 0.727 | S | S | . | * | trans | 61.7 | -171.7 | 159 | 77.7 | 0 | 0 | 0 | 0 | 116.6 | S1337 H1338 | S1254-S1337 PolarHBondContact N-O 3.26Å; S1254-S1337 CarbonylContact O-C 3.34Å; S1254-S1337 PolarHBondContact O-N 3.16Å; S1254-H1338 VanDerWaalsContact N-C 3.27Å; S1254-H1338 PolarHBondContact N-O 3.45Å | ||
| 1255 | P | 27.4 | Very low | 25 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | cis | -129 | -152.7 | -15.4 | 42.7 | -25.4 | 0 | 0 | 0 | 113.2 | ||||
| 1256 | S | 22.3 | Very low | 25 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | -88.4 | 149.4 | -173 | 55.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1257 | S | 23 | Very low | 24.9 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | trans | 63.9 | 175.6 | 146.4 | -115.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1258 | P | 31.1 | Very low | 24.9 | Very low | 95 Ų | 95 | 115 Ų | 115 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | cis | -132.2 | 177.1 | -15.8 | 40.4 | -25.6 | 0 | 0 | 0 | 114.7 | ||||
| 1259 | H | 24.2 | Very low | 25.1 | Very low | 170 Ų | 170 | 113.3 Ų | 113.3 | 79% | 0.787 | 66% | 0.659 | S | S | * | * | trans | 63.8 | 156.1 | 156.2 | -76.4 | -58.4 | 0 | 0 | 0 | 118.6 | ||||
| 1260 | L | 23.7 | Very low | 24.8 | Very low | 129 Ų | 129 | 113.6 Ų | 113.6 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | cis | -147.8 | 169.5 | -4.4 | -139.3 | 145.2 | 0 | 0 | 0 | 109.7 | ||||
| 1261 | M | 25.5 | Very low | 24.9 | Very low | 172 Ų | 172 | 107.2 Ų | 107.2 | 85% | 0.847 | 64% | 0.636 | S | S | * | * | trans | 79.2 | 149.2 | 169.2 | -63.7 | -168.3 | 165.5 | 0 | 0 | 118.2 | ||||
| 1262 | V | 23.2 | Very low | 24.8 | Very low | 111 Ų | 111 | 106.8 Ų | 106.8 | 67% | 0.673 | 64% | 0.64 | S | S | * | * | cis | -179 | 132.1 | -46.8 | 135.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1263 | T | 22.9 | Very low | 24.5 | Very low | 128 Ų | 128 | 108.4 Ų | 108.4 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | 43.9 | 137 | 168.6 | 57.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1264 | G | 26 | Very low | 24.5 | Very low | 64 Ų | 64 | 110.2 Ų | 110.2 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | cis | 165.5 | 174.5 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1265 | S | 23.7 | Very low | 24.5 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | 47.7 | 149.9 | 119.1 | -50.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1266 | Y | 23.8 | Very low | 24.3 | Very low | 119 Ų | 119 | 114.8 Ų | 114.8 | 47% | 0.467 | 67% | 0.668 | S | S | . | * | cis | -154 | -162.8 | -16.9 | -132.3 | -107 | 0 | 0 | 0 | 105.5 | P1937 H1938 Y1939 R1940 I1941 | Y1266-P1937 CarbonylContact O-C 3.58Å; Y1266-P1937 WeakPolarHBondContact O-CA 3.42Å; Y1266-P1937 WeakPolarHBondContact O-CB 3.29Å; Y1266-H1938 CarbonylContact O-C 3.48Å; Y1266-H1938 PolarHBondContact O-N 2.58Å; Y1266-Y1939 CarbonylContact C-O 3.56Å; Y1266-Y1939 VanDerWaalsContact CA-O 3.22Å; Y1266-Y1939 WeakPolarHBondContact CA-O 3.27Å; Y1266-Y1939 PolarHBondContact O-N 3.41Å; Y1266-R1940 CarbonylContact C-O 3.58Å; Y1266-R1940 WeakPolarHBondContact CA-O 3.47Å; Y1266-R1940 WeakPolarHBondContact CD1-O 3.45Å; Y1266-R1940 WeakPolarHBondContact CE1-O 3.47Å; Y1266-R1940 VanDerWaalsContact CG-O 3.26Å; Y1266-I1941 HydrophobicContact CE1-CB 3.99Å; Y1266-I1941 HydrophobicContact CE1-CG1 4.1Å; Y1266-I1941 WeakPolarHBondContact OH-CD1 3.25Å | ||
| 1267 | A | 24.3 | Very low | 24.4 | Very low | 20 Ų | 20 | 114.5 Ų | 114.5 | 17% | 0.165 | 66% | 0.659 | C | S | . | * | B | Isolated β-bridge | trans | -120.4 | 138.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1937 R1940 | A1267-P1937 CarbonylContact C-O 3.28Å; A1267-R1940 VanDerWaalsContact CB-O 3.32Å; A1267-R1940 WeakPolarHBondContact CB-O 3.32Å; A1267-R1940 PolarHBondContact N-O 2.93Å |
| 1268 | N | 25.4 | Very low | 24.7 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 58% | 0.578 | 65% | 0.654 | S | S | * | * | trans | -71.1 | -136.4 | 135.4 | -116 | -98.8 | 0 | 0 | 0 | 111.5 | P1937 | N1268-P1937 PolarHBondContact N-O 3.13Š| ||
| 1269 | Q | 26.6 | Very low | 24.4 | Very low | 124 Ų | 124 | 118 Ų | 118 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | -164.6 | 96 | -65.7 | -167.5 | 169.3 | 13.7 | 0 | 0 | 110.8 | H1938 | Q1269-H1938 PolarHBondContact N-CE1 3.27Å; Q1269-H1938 PolarHBondContact N-NE2 3.43Å; Q1269-H1938 PolarHBondContact O-CE1 3.29Å | |||
| 1270 | S | 22.1 | Very low | 24.3 | Very low | 125 Ų | 125 | 120 Ų | 120 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | trans | -77 | 133.8 | 146.1 | 55.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1271 | S | 25.8 | Very low | 24.3 | Very low | 47 Ų | 47 | 119.4 Ų | 119.4 | 33% | 0.329 | 68% | 0.678 | S | S | . | * | trans | -100.5 | 165.3 | -165.8 | 38.2 | 0 | 0 | 0 | 0 | 114.2 | I889 | I889-S1271 WeakPolarHBondContact CD1-OG 3.39Å; I889-S1271 WeakPolarHBondContact CG2-O 3.24Å; I889-S1271 WeakPolarHBondContact CG2-OG 3.32Å | ||
| 1272 | V | 24.7 | Very low | 24.2 | Very low | 138 Ų | 138 | 114.6 Ų | 114.6 | 84% | 0.836 | 67% | 0.672 | S | S | * | * | trans | -133.2 | 135.6 | 147.1 | 170.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1273 | E | 22.8 | Very low | 24.3 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 45% | 0.453 | 68% | 0.682 | S | S | . | * | trans | -87.1 | 150.1 | 177.4 | -94 | 156.6 | 172.3 | 0 | 0 | 111.5 | T887 I889 | T887-E1273 WeakPolarHBondContact CB-OE1 3.35Å; T887-E1273 PolarHBondContact OG1-OE1 3.25Å; I889-E1273 HydrophobicContact CD1-CB 3.79Å; I889-E1273 HydrophobicContact CD1-CG 3.45Å; I889-E1273 VanDerWaalsContact CD1-CG 3.45Å; I889-E1273 WeakPolarHBondContact CD1-OE2 3.21Å | ||
| 1274 | I | 24.3 | Very low | 24.3 | Very low | 165 Ų | 165 | 114.7 Ų | 114.7 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | -153.4 | 152.9 | 107.6 | -100.1 | 159.3 | 0 | 0 | 0 | 109.4 | |||||
| 1275 | S | 22.6 | Very low | 24.2 | Very low | 98 Ų | 98 | 118.4 Ų | 118.4 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | trans | -45.8 | 145.8 | -168.1 | 56.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1276 | L | 23 | Very low | 24.2 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 95% | 0.948 | 69% | 0.693 | S | S | * | * | -129.8 | 125.7 | 124.6 | -132.3 | 175.9 | 0 | 0 | 0 | 109.1 | |||||
| 1277 | D | 23.7 | Very low | 24.2 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 53% | 0.529 | 70% | 0.695 | S | S | . | * | trans | -104.1 | 155.8 | -169 | -170.1 | 7.2 | 0 | 0 | 0 | 111.8 | ||||
| 1278 | K | 28.3 | Very low | 24.3 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | trans | 50.4 | 103.2 | 172.4 | -74.3 | 128.5 | -162.2 | 160.8 | 0 | 118.9 | ||||
| 1279 | S | 24.8 | Very low | 24.1 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -60.6 | 142.2 | 157.3 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1280 | F | 22.2 | Very low | 24.1 | Very low | 212 Ų | 212 | 126.4 Ų | 126.4 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | trans | -88.6 | 125.9 | 164.3 | -106.3 | -88.2 | 0 | 0 | 0 | 112.1 | ||||
| 1281 | S | 24.3 | Very low | 24.1 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -162.2 | 145.4 | 134.2 | 61.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1282 | G | 24.7 | Very low | 24.1 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | cis | 140 | 82.1 | 12 | 0 | 0 | 0 | 0 | 0 | 107 | L1284 | G1282-L1284 PolarHBondContact O-N 2.84Š| ||
| 1283 | G | 23.5 | Very low | 24.2 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -67.1 | 124.4 | -159.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1284 | L | 22.9 | Very low | 24.5 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -128.3 | 59.9 | 166 | -139.6 | -176.7 | 0 | 0 | 0 | 111.3 | G1282 | G1282-L1284 PolarHBondContact O-N 2.84Š| ||
| 1285 | L | 25.6 | Very low | 24.8 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -154.8 | 38.5 | 166.2 | -117.5 | 177.2 | 0 | 0 | 0 | 115.1 | T1287 | L1285-T1287 PolarHBondContact O-N 2.93Š| ||
| 1286 | N | 23.1 | Very low | 25.1 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -75.1 | 70.6 | 169 | -112.8 | 8.8 | 0 | 0 | 0 | 111.4 | R1834 | N1286-R1834 PolarHBondContact O-NH1 3Š| ||
| 1287 | T | 23.9 | Very low | 25.5 | Very low | 82 Ų | 82 | 126.1 Ų | 126.1 | 50% | 0.503 | 75% | 0.752 | S | S | . | * | trans | -172.9 | 96.7 | 162.2 | 27 | 0 | 0 | 0 | 0 | 109.5 | L1285 | L1285-T1287 PolarHBondContact O-N 2.93Š| ||
| 1288 | L | 25.5 | Very low | 26 | Very low | 174 Ų | 174 | 125 Ų | 125 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | trans | 175.7 | 113.6 | 133.6 | -98 | 162.2 | 0 | 0 | 0 | 110.2 | ||||
| 1289 | S | 22.2 | Very low | 26.3 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -110.8 | 169.1 | 160.5 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1290 | V | 25.3 | Very low | 26.9 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | 74.6 | 91.6 | 171.5 | -168.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 1291 | A | 23.9 | Very low | 27.6 | Very low | 89 Ų | 89 | 118 Ų | 118 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | 52.1 | 118.2 | 127 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1292 | S | 24.3 | Very low | 28.1 | Very low | 82 Ų | 82 | 114.3 Ų | 114.3 | 57% | 0.573 | 70% | 0.702 | S | S | * | * | 72.8 | 150.7 | 129.2 | -158.7 | 0 | 0 | 0 | 0 | 122.3 | S629 | S629-S1292 PolarHBondContact OG-OG 3.18Å; S629-S1292 VanDerWaalsContact OG-OG 3.11Å | |||
| 1293 | A | 26.6 | Very low | 28.6 | Very low | 72 Ų | 72 | 114.4 Ų | 114.4 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | trans | 87.8 | 138.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1294 | T | 30.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | trans | 59.9 | 59.1 | 153.4 | 54.6 | 0 | 0 | 0 | 0 | 120.3 | R1296 | T1294-R1296 PolarHBondContact O-N 3.03Š| ||
| 1295 | G | 30.2 | Very low | 30 | Very low | 80 Ų | 80 | 111.7 Ų | 111.7 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | 56.9 | 0.9 | 97.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||
| 1296 | R | 29.9 | Very low | 30.5 | Very low | 227 Ų | 227 | 110.4 Ų | 110.4 | 86% | 0.857 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | -29.9 | 177.4 | -65 | -169.9 | -171.1 | 177.3 | 5.4 | 115.2 | T1294 | T1294-R1296 PolarHBondContact O-N 3.03Š|
| 1297 | K | 31.6 | Very low | 30.9 | Very low | 179 Ų | 179 | 113.8 Ų | 113.8 | 78% | 0.778 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78 | -28 | 177.5 | -73 | -174.5 | 175.7 | -179.9 | 0 | 113.7 | M1299 H1300 S1301 | K1297-M1299 PolarHBondContact O-N 3.42Å; K1297-H1300 PolarHBondContact O-N 3.18Å; K1297-H1300 VanDerWaalsContact O-N 3.12Å; K1297-S1301 PolarHBondContact O-N 2.73Å; K1297-S1301 VanDerWaalsContact O-N 3.14Å |
| 1298 | A | 33.2 | Very low | 31.4 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -58.5 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | H1300 S1301 A1302 | A1298-H1300 VanDerWaalsContact C-N 3.28Å; A1298-H1300 PolarHBondContact O-N 2.87Å; A1298-S1301 PolarHBondContact O-N 3.45Å; A1298-A1302 WeakPolarHBondContact O-CB 3.31Å; A1298-A1302 PolarHBondContact O-N 2.99Å |
| 1299 | M | 34.3 | Very low | 31.5 | Very low | 138 Ų | 138 | 117.8 Ų | 117.8 | 68% | 0.68 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.1 | -34.3 | 177.8 | -161.4 | -179.1 | 91.1 | 0 | 0 | 111.9 | K1297 N1303 | K1297-M1299 PolarHBondContact O-N 3.42Å; M1299-N1303 VanDerWaalsContact O-CB 3.29Å; M1299-N1303 WeakPolarHBondContact O-CB 3.31Å; M1299-N1303 VanDerWaalsContact O-CG 3.25Å; M1299-N1303 PolarHBondContact O-N 3.49Å; M1299-N1303 PolarHBondContact O-ND2 3.47Å |
| 1300 | H | 38.6 | Very low | 31.7 | Very low | 136 Ų | 136 | 117 Ų | 117 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.2 | -37.5 | -178.7 | -139 | -47.8 | 0 | 0 | 0 | 112.8 | K1297 A1298 Q1304 | K1297-H1300 PolarHBondContact O-N 3.18Å; K1297-H1300 VanDerWaalsContact O-N 3.12Å; A1298-H1300 VanDerWaalsContact C-N 3.28Å; A1298-H1300 PolarHBondContact O-N 2.87Å; H1300-Q1304 VanDerWaalsContact O-CB 3.3Å; H1300-Q1304 WeakPolarHBondContact O-CB 3.32Å; H1300-Q1304 PolarHBondContact O-N 3.21Å |
| 1301 | S | 36.8 | Very low | 31.7 | Very low | 79 Ų | 79 | 118.6 Ų | 118.6 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.9 | -36.5 | 171.8 | -65 | 0 | 0 | 0 | 0 | 112.6 | K1297 A1298 Q1304 A1305 | K1297-S1301 PolarHBondContact O-N 2.73Å; K1297-S1301 VanDerWaalsContact O-N 3.14Å; A1298-S1301 PolarHBondContact O-N 3.45Å; S1301-Q1304 PolarHBondContact O-N 3.01Å; S1301-A1305 WeakPolarHBondContact O-CB 3.49Å; S1301-A1305 PolarHBondContact O-N 3.23Å |
| 1302 | A | 34.3 | Very low | 31.8 | Very low | 39 Ų | 39 | 121.4 Ų | 121.4 | 32% | 0.322 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -60.3 | -47.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1298 Q1304 A1305 L1306 | A1298-A1302 WeakPolarHBondContact O-CB 3.31Å; A1298-A1302 PolarHBondContact O-N 2.99Å; A1302-Q1304 VanDerWaalsContact C-N 3.31Å; A1302-Q1304 PolarHBondContact O-N 3.41Å; A1302-A1305 PolarHBondContact O-N 2.93Å; A1302-L1306 WeakPolarHBondContact O-CB 3.43Å; A1302-L1306 WeakPolarHBondContact O-CG 3.39Å; A1302-L1306 PolarHBondContact O-N 3.43Å |
| 1303 | N | 35.8 | Very low | 31.9 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 39% | 0.385 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -67.5 | -27.6 | 176.7 | -73.5 | -19.8 | 0 | 0 | 0 | 113.2 | M1299 R1307 | M1299-N1303 VanDerWaalsContact O-CB 3.29Å; M1299-N1303 WeakPolarHBondContact O-CB 3.31Å; M1299-N1303 VanDerWaalsContact O-CG 3.25Å; M1299-N1303 PolarHBondContact O-N 3.49Å; M1299-N1303 PolarHBondContact O-ND2 3.47Å; N1303-R1307 WeakPolarHBondContact O-CB 3.3Å; N1303-R1307 WeakPolarHBondContact O-CG 3.3Å; N1303-R1307 PolarHBondContact O-N 3.06Å |
| 1304 | Q | 39.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 59% | 0.589 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -79.3 | -27.8 | 175.6 | -161.8 | 172.1 | 35.9 | 0 | 0 | 113 | H1300 S1301 A1302 | H1300-Q1304 VanDerWaalsContact O-CB 3.3Å; H1300-Q1304 WeakPolarHBondContact O-CB 3.32Å; H1300-Q1304 PolarHBondContact O-N 3.21Å; S1301-Q1304 PolarHBondContact O-N 3.01Å; A1302-Q1304 VanDerWaalsContact C-N 3.31Å; A1302-Q1304 PolarHBondContact O-N 3.41Å |
| 1305 | A | 35.5 | Very low | 31.7 | Very low | 59 Ų | 59 | 133.4 Ų | 133.4 | 49% | 0.488 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -74 | -45.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1301 A1302 R1307 K1308 L1309 | S1301-A1305 WeakPolarHBondContact O-CB 3.49Å; S1301-A1305 PolarHBondContact O-N 3.23Å; A1302-A1305 PolarHBondContact O-N 2.93Å; A1305-R1307 VanDerWaalsContact C-N 3.33Å; A1305-R1307 PolarHBondContact O-N 2.89Å; A1305-K1308 PolarHBondContact O-N 2.91Å; A1305-L1309 PolarHBondContact O-N 2.88Å |
| 1306 | L | 35.3 | Very low | 31.7 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 60% | 0.597 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -64.5 | -34.7 | 176.6 | -71.8 | 167.1 | 0 | 0 | 0 | 112.2 | A1302 K1308 L1309 S1310 | A1302-L1306 WeakPolarHBondContact O-CB 3.43Å; A1302-L1306 WeakPolarHBondContact O-CG 3.39Å; A1302-L1306 PolarHBondContact O-N 3.43Å; L1306-K1308 PolarHBondContact O-N 2.92Å; L1306-L1309 PolarHBondContact O-N 3.38Å; L1306-S1310 WeakPolarHBondContact O-CB 3.49Å; L1306-S1310 PolarHBondContact O-N 3.22Å |
| 1307 | R | 33.2 | Very low | 31.6 | Very low | 218 Ų | 218 | 133.2 Ų | 133.2 | 82% | 0.823 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 0.3 | 169.4 | -75.9 | 177.7 | 176.3 | -166.9 | -1.3 | 114.9 | N1303 A1305 | N1303-R1307 WeakPolarHBondContact O-CB 3.3Å; N1303-R1307 WeakPolarHBondContact O-CG 3.3Å; N1303-R1307 PolarHBondContact O-N 3.06Å; A1305-R1307 VanDerWaalsContact C-N 3.33Å; A1305-R1307 PolarHBondContact O-N 2.89Å |
| 1308 | K | 34.3 | Very low | 31.5 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | -2.6 | 174.5 | -76.2 | -170.1 | 172.7 | -172.7 | 0 | 114.8 | A1305 L1306 | A1305-K1308 PolarHBondContact O-N 2.91Å; L1306-K1308 PolarHBondContact O-N 2.92Å |
| 1309 | L | 26.7 | Very low | 31.1 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -128.2 | 24.7 | 175 | -73.1 | 173.5 | 0 | 0 | 0 | 113.1 | A1305 L1306 | A1305-L1309 PolarHBondContact O-N 2.88Å; L1306-L1309 PolarHBondContact O-N 3.38Å |
| 1310 | S | 25.7 | Very low | 30.6 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -141.5 | 71.4 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L1306 | L1306-S1310 WeakPolarHBondContact O-CB 3.49Å; L1306-S1310 PolarHBondContact O-N 3.22Å |
| 1311 | N | 25.1 | Very low | 30.4 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | trans | -171.7 | 71.3 | 160.8 | -102.3 | -16.4 | 0 | 0 | 0 | 112.5 | ||||
| 1312 | T | 27.6 | Very low | 29.9 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | trans | -179.6 | 127.9 | 157.3 | 13.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1313 | A | 25 | Very low | 29.9 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | cis | -153.9 | 140.3 | -15.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1314 | K | 27.1 | Very low | 29.6 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | trans | -170.2 | 104.7 | 153.5 | -112.5 | 173.1 | -175.4 | -179.7 | 0 | 110.7 | ||||
| 1315 | Y | 25.6 | Very low | 29.2 | Very low | 234 Ų | 234 | 137.4 Ų | 137.4 | 92% | 0.918 | 74% | 0.739 | S | S | * | * | -153.7 | 149.4 | 119.2 | -110.6 | -73.6 | 0 | 0 | 0 | 109 | |||||
| 1316 | H | 30.1 | Very low | 29 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | trans | -109.9 | 144.4 | -178 | -112.6 | -94.1 | 0 | 0 | 0 | 110.4 | ||||
| 1317 | H | 29.2 | Very low | 28.6 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 51.9 | 128 | 158.9 | -62.2 | -51 | 0 | 0 | 0 | 120.7 | ||||
| 1318 | N | 27.6 | Very low | 28.3 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | -122.6 | 171.9 | 125 | -150.8 | -18.1 | 0 | 0 | 0 | 109.1 | |||||
| 1319 | C | 25.2 | Very low | 28.1 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | trans | -136.9 | 140.8 | -163.5 | -100.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1320 | K | 25.1 | Very low | 28.1 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | 58.5 | 114.1 | 145.6 | -62 | 175.5 | -179.1 | 175.9 | 0 | 120.5 | ||||
| 1321 | S | 34.8 | Very low | 28.2 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -151.6 | 151.7 | 132.6 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1322 | S | 24.5 | Very low | 28.3 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 50% | 0.497 | 72% | 0.718 | S | S | . | * | trans | -166 | 170 | 179.3 | -35.2 | 0 | 0 | 0 | 0 | 107.2 | L2193 | S1322-L2193 WeakPolarHBondContact OG-CD2 3.45Š| ||
| 1323 | P | 34.8 | Very low | 28.2 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | -156.3 | -152.4 | 57.6 | 44.1 | -20.9 | 0 | 0 | 0 | 114.9 | |||||
| 1324 | A | 30.5 | Very low | 28.2 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | trans | 72.8 | 122.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1325 | T | 30 | Very low | 28.1 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | cis | -147.1 | 177 | 4.5 | 57.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1326 | N | 30.6 | Very low | 28 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | cis | -165.4 | 147 | -40.9 | -89.6 | -15.1 | 0 | 0 | 0 | 104.6 | ||||
| 1327 | S | 27.4 | Very low | 27.8 | Very low | 85 Ų | 85 | 115.2 Ų | 115.2 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | cis | -154.8 | 174 | -5.4 | 57.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1328 | K | 27.7 | Very low | 27.6 | Very low | 151 Ų | 151 | 115.6 Ų | 115.6 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | cis | -134 | -167.2 | 20.8 | -55.7 | 174 | -176.8 | 175.4 | 0 | 107.7 | N2190 N2191 | K1328-N2190 CarbonylContact O-C 3.59Å; K1328-N2190 VanDerWaalsContact O-C 3.28Å; K1328-N2190 WeakPolarHBondContact O-CA 3.44Å; K1328-N2191 CarbonylContact O-C 3.59Å; K1328-N2191 WeakPolarHBondContact O-CA 3.36Å; K1328-N2191 PolarHBondContact O-N 2.86Å; K1328-N2191 VanDerWaalsContact O-N 3.1Å | ||
| 1329 | G | 30.4 | Very low | 27.7 | Very low | 42 Ų | 42 | 110.3 Ų | 110.3 | 43% | 0.433 | 65% | 0.652 | S | S | . | * | cis | 108 | 124.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1330 | F | 26.6 | Very low | 27.8 | Very low | 146 Ų | 146 | 115.6 Ų | 115.6 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | cis | -165 | 149.3 | -5.9 | -118 | -46 | 0 | 0 | 0 | 114.6 | N2192 | F1330-N2192 WeakPolarHBondContact CE1-O 3.42Å; F1330-N2192 WeakPolarHBondContact CE2-O 3.31Å; F1330-N2192 WeakPolarHBondContact CZ-O 3.43Å | ||
| 1331 | L | 27.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 112.3 Ų | 112.3 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | trans | 53.3 | 113.5 | 146.8 | -81 | 159.1 | 0 | 0 | 0 | 122.8 | ||||
| 1332 | S | 25.9 | Very low | 27.2 | Very low | 112 Ų | 112 | 111.3 Ų | 111.3 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | 60.4 | 173.9 | 108.3 | -149.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1333 | S | 25.4 | Very low | 27.2 | Very low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | trans | -132.4 | 169.1 | -155.5 | 54.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1334 | V | 25.2 | Very low | 26.7 | Very low | 131 Ų | 131 | 114.7 Ų | 114.7 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | trans | 82.7 | 146.1 | 162.3 | -145.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1335 | I | 24.8 | Very low | 26.5 | Very low | 140 Ų | 140 | 118.5 Ų | 118.5 | 72% | 0.718 | 67% | 0.669 | S | S | * | * | trans | 93.5 | 98.3 | 164.1 | -53.1 | -173.2 | 0 | 0 | 0 | 117.7 | ||||
| 1336 | D | 23.5 | Very low | 26.5 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 68% | 0.684 | 68% | 0.675 | S | S | * | * | trans | 43.4 | 131.6 | 131.5 | -49.4 | -24.2 | 0 | 0 | 0 | 122.3 | ||||
| 1337 | S | 26.5 | Very low | 26.2 | Very low | 27 Ų | 27 | 120.4 Ų | 120.4 | 19% | 0.189 | 67% | 0.674 | C | S | . | * | -172.3 | 122.4 | 83.9 | -75.2 | 0 | 0 | 0 | 0 | 115.3 | S1252 N1253 S1254 | S1252-S1337 CarbonylContact C-O 3.17Å; S1252-S1337 WeakPolarHBondContact CB-O 3.46Å; N1253-S1337 CarbonylContact C-O 3.55Å; N1253-S1337 VanDerWaalsContact CA-O 3.25Å; N1253-S1337 WeakPolarHBondContact CA-O 3.36Å; N1253-S1337 PolarHBondContact N-O 3.14Å; S1254-S1337 PolarHBondContact N-O 3.26Å; S1254-S1337 CarbonylContact O-C 3.34Å; S1254-S1337 PolarHBondContact O-N 3.16Å | |||
| 1338 | H | 25.2 | Very low | 26.3 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | trans | 52.8 | 88.3 | 142.6 | -66.2 | -71.2 | 0 | 0 | 0 | 122.7 | N1253 S1254 | N1253-H1338 WeakPolarHBondContact CA-O 3.44Å; N1253-H1338 PolarHBondContact N-O 2.97Å; S1254-H1338 VanDerWaalsContact N-C 3.27Å; S1254-H1338 PolarHBondContact N-O 3.45Å | ||
| 1339 | G | 30.1 | Very low | 26.4 | Very low | 49 Ų | 49 | 123.4 Ų | 123.4 | 51% | 0.505 | 69% | 0.689 | S | S | . | * | trans | -129.6 | 83.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1340 | K | 27.4 | Very low | 26.1 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | trans | -37.3 | 132.1 | -175.6 | -76.8 | 177.1 | 177.8 | 179 | 0 | 115.9 | ||||
| 1341 | V | 24.8 | Very low | 26.4 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | 98.3 | 112 | 51.3 | 161.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1342 | S | 23.2 | Very low | 26.4 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | 68.8 | 120.1 | 144.3 | 77.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1343 | V | 24.6 | Very low | 26.3 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | 77.2 | 118.8 | 114.2 | 174.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1344 | N | 23.9 | Very low | 26.2 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | 80.3 | 143.8 | 143.6 | -83.2 | 25.8 | 0 | 0 | 0 | 126.8 | ||||
| 1345 | E | 25.1 | Very low | 26.1 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | 75.1 | 100.8 | 142.7 | -77.3 | 160.3 | -121 | 0 | 0 | 121.4 | ||||
| 1346 | K | 29.7 | Very low | 26 | Very low | 194 Ų | 194 | 130 Ų | 130 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | -164.7 | 138.3 | 100 | -101.6 | 157.2 | -173.8 | 173.9 | 0 | 114.4 | |||||
| 1347 | S | 26 | Very low | 26.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | 18.8 | 147.4 | 138.2 | 66.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1348 | E | 29.3 | Very low | 25.9 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | cis | -152.4 | 164.7 | 33.3 | -68.9 | 177 | 124.7 | 0 | 0 | 114.1 | ||||
| 1349 | T | 29.7 | Very low | 26 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | 56.3 | 127.6 | 161.2 | 51 | 0 | 0 | 0 | 0 | 120 | ||||
| 1350 | M | 23.4 | Very low | 25.8 | Very low | 165 Ų | 165 | 134 Ų | 134 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | cis | 81.2 | 140.9 | 29.5 | -60 | -76.3 | 105.6 | 0 | 0 | 115.9 | ||||
| 1351 | P | 33.3 | Very low | 25.7 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | -142.3 | -160.5 | -62 | 37.6 | -16.9 | 0 | 0 | 0 | 113.7 | |||||
| 1352 | E | 26.7 | Very low | 25.7 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | 95.8 | 173.5 | 149.2 | -117.3 | 176.2 | -176.1 | 0 | 0 | 121.1 | ||||
| 1353 | Q | 24.1 | Very low | 25.9 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | trans | -120.5 | 170.4 | -142.3 | -62 | -179.7 | 9.1 | 0 | 0 | 115.3 | ||||
| 1354 | V | 22.9 | Very low | 25.9 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | trans | 126.5 | 128.9 | 137.8 | 177.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1355 | S | 23 | Very low | 25.9 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | trans | 86.5 | 122.4 | 154.7 | 72.2 | 0 | 0 | 0 | 0 | 123.2 | K1959 | S1355-K1959 PolarHBondContact O-NZ 2.86Š| ||
| 1356 | L | 23.5 | Very low | 26 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 60% | 0.602 | 75% | 0.746 | S | S | * | * | 59.5 | 174 | 120.5 | -56.7 | 174.4 | 0 | 0 | 0 | 123.9 | K1959 | L1356-K1959 PolarHBondContact O-NZ 3.3Š| |||
| 1357 | I | 25.6 | Very low | 25.7 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | trans | 73.9 | 81.1 | 159.8 | -44.2 | -165.3 | 0 | 0 | 0 | 120.8 | ||||
| 1358 | S | 22.7 | Very low | 25.7 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 51% | 0.51 | 74% | 0.742 | S | S | . | * | 74.4 | 158.4 | 123.7 | 88.2 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1359 | N | 26.7 | Very low | 25.7 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 71.9 | 82.8 | 146.3 | -64.8 | -2.4 | 0 | 0 | 0 | 122.6 | ||||
| 1360 | S | 25.2 | Very low | 25.5 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 44.4 | 127.8 | 113.9 | 67.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1361 | K | 26.9 | Very low | 25.9 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | 74.9 | 81.8 | 135.3 | -69.2 | 179.5 | 178.5 | 177.9 | 0 | 120.8 | ||||
| 1362 | S | 24.7 | Very low | 25.6 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | 59.6 | 119.3 | 108.3 | 68.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1363 | K | 26.6 | Very low | 25.6 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | 67.8 | 148.9 | 145.1 | -55.7 | 176.3 | 178.9 | -178.7 | 0 | 116.2 | ||||
| 1364 | T | 25 | Very low | 25.7 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | cis | -154 | 163.3 | 16.6 | -27.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1365 | L | 23.1 | Very low | 26.1 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | 75.3 | 108.4 | 145.4 | -148.4 | 82.4 | 0 | 0 | 0 | 118.7 | ||||
| 1366 | E | 28.2 | Very low | 26.3 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | trans | -147.8 | 168.8 | 138.2 | -136.9 | 165.5 | -145 | 0 | 0 | 109.2 | ||||
| 1367 | S | 23.5 | Very low | 26.4 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -147.4 | 174.6 | -171.8 | 66.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1368 | M | 26.2 | Very low | 26.5 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | trans | 78.7 | 150.3 | -177.1 | -54.7 | 177.3 | 165.3 | 0 | 0 | 113.8 | ||||
| 1369 | H | 28.7 | Very low | 26.8 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | cis | -135.8 | 157.7 | -7.7 | -93.4 | -46 | 0 | 0 | 0 | 108.3 | ||||
| 1370 | S | 24.6 | Very low | 26.9 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | 66.2 | 147.4 | 53 | -34.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1371 | P | 33 | Very low | 27.1 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | cis | -111.2 | -176.3 | 6.7 | 41.8 | -30.6 | 0 | 0 | 0 | 113.5 | ||||
| 1372 | G | 27.1 | Very low | 27.2 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | cis | 174.8 | -167 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1373 | T | 27.2 | Very low | 27.2 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | cis | -172.2 | 120.1 | -17.4 | -80.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1374 | L | 25.4 | Very low | 27.1 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | 64.8 | 161.5 | 165 | -55.8 | 169.8 | 0 | 0 | 0 | 118.8 | ||||
| 1375 | I | 30.8 | Very low | 27 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | cis | -140.4 | 146.5 | 6.1 | -46.8 | 157 | 0 | 0 | 0 | 108.1 | ||||
| 1376 | A | 26.9 | Very low | 27 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | cis | 100.2 | 69.2 | -3.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1377 | S | 25.8 | Very low | 27.4 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | -163.3 | 139.7 | 160.5 | 60.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1378 | N | 28.6 | Very low | 28.1 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 66.4 | 143.4 | 153.9 | -70 | 39.9 | 0 | 0 | 0 | 120.7 | ||||
| 1379 | D | 29.5 | Very low | 28 | Very low | 143 Ų | 143 | 116.7 Ų | 116.7 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | cis | -138.1 | 164.6 | 2.6 | -112.3 | -44.4 | 0 | 0 | 0 | 114.4 | ||||
| 1380 | N | 26.9 | Very low | 27.8 | Very low | 146 Ų | 146 | 116.4 Ų | 116.4 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | -92.8 | 178.3 | -173.5 | -109.7 | -47.1 | 0 | 0 | 0 | 111.8 | ||||
| 1381 | P | 30.9 | Very low | 27.9 | Very low | 99 Ų | 99 | 118 Ų | 118 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | cis | -155.4 | 173.1 | 35.1 | 45.6 | -24.2 | 0 | 0 | 0 | 121.2 | ||||
| 1382 | I | 27.8 | Very low | 27.6 | Very low | 149 Ų | 149 | 119 Ų | 119 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | 74.1 | 144.6 | 138.8 | -82.8 | 161.8 | 0 | 0 | 0 | 120.3 | ||||
| 1383 | T | 25.7 | Very low | 27.6 | Very low | 106 Ų | 106 | 123 Ų | 123 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | cis | -175.3 | 138.8 | -30.9 | -110.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1384 | I | 24.7 | Very low | 27.6 | Very low | 156 Ų | 156 | 127 Ų | 127 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | trans | 59.1 | 163.8 | 154.7 | -67.5 | 173.5 | 0 | 0 | 0 | 119.5 | ||||
| 1385 | S | 22.1 | Very low | 27.6 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | -77.3 | 144.4 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1386 | S | 23.7 | Very low | 27.5 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | 172.9 | 155.4 | 121.9 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1387 | P | 37 | Very low | 27.6 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | trans | -109.6 | -167.3 | 165.7 | 44.9 | -35.9 | 0 | 0 | 0 | 110.3 | ||||
| 1388 | P | 37.3 | Very low | 27.5 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 52% | 0.519 | 72% | 0.72 | S | S | . | * | cis | -131.4 | -175.8 | -10.5 | 39.1 | -21.2 | 0 | 0 | 0 | 115.4 | ||||
| 1389 | A | 23.4 | Very low | 27.4 | Very low | 56 Ų | 56 | 130.9 Ų | 130.9 | 46% | 0.463 | 72% | 0.722 | S | S | . | * | trans | 85 | 152.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1390 | I | 25.4 | Very low | 27.1 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | trans | 65.6 | 119.3 | 169.6 | -56.1 | 169.8 | 0 | 0 | 0 | 114.7 | ||||
| 1391 | Q | 26.9 | Very low | 27.2 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | cis | 104.1 | 153.8 | 28.8 | -172.6 | 174.8 | 4.1 | 0 | 0 | 113.2 | R1867 | Q1391-R1867 VanDerWaalsContact OE1-CZ 3.28Š| ||
| 1392 | I | 27.5 | Very low | 27.1 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | trans | 88.7 | 103.4 | -168.6 | -54.7 | 165 | 0 | 0 | 0 | 109.5 | ||||
| 1393 | N | 25.2 | Very low | 27.3 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | 73 | 108 | 64.9 | -86.5 | 22 | 0 | 0 | 0 | 114.7 | |||||
| 1394 | E | 28.3 | Very low | 27.4 | Very low | 201 Ų | 201 | 136 Ų | 136 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | trans | -148.9 | 171.8 | 130 | -130 | 168.8 | -141.8 | 0 | 0 | 109.8 | ||||
| 1395 | S | 25.8 | Very low | 27.4 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | trans | -149.1 | 162.7 | -162.4 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1396 | F | 28.8 | Very low | 27.6 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -176.9 | 156 | 132.6 | -107.6 | -69.7 | 0 | 0 | 0 | 113.9 | ||||
| 1397 | S | 27.8 | Very low | 27.7 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | 44.4 | 125.7 | 154.5 | 57.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1398 | E | 24.2 | Very low | 27.2 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | cis | 68.5 | 112.5 | 37.1 | -165 | -170.4 | -114.9 | 0 | 0 | 114.8 | ||||
| 1399 | H | 27.3 | Very low | 26.7 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | -171.2 | 152.1 | 126.8 | -105.5 | 58.4 | 0 | 0 | 0 | 111.9 | |||||
| 1400 | N | 23.5 | Very low | 26.9 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -102.7 | 148.6 | -179.6 | -69.2 | -82 | 0 | 0 | 0 | 111.3 | ||||
| 1401 | H | 27.6 | Very low | 27.1 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | trans | -152.7 | 110 | 143.8 | -95.9 | -56.7 | 0 | 0 | 0 | 113 | ||||
| 1402 | T | 29.8 | Very low | 27.4 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | -111.1 | 146 | 147.6 | 56.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1403 | P | 31.5 | Very low | 27.4 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | -148.5 | 141 | 127.3 | 34.2 | -17.7 | 0 | 0 | 0 | 115.5 | |||||
| 1404 | K | 27.8 | Very low | 27.3 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | 69 | 157.5 | 145.8 | -65.1 | 167.6 | -175.7 | 174 | 0 | 118.9 | ||||
| 1405 | R | 25.3 | Very low | 27.2 | Very low | 202 Ų | 202 | 148.4 Ų | 148.4 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | cis | -175.3 | 122.8 | -33.4 | -160.4 | -174.1 | -153.6 | -179.4 | 5.6 | 108.6 | ||||
| 1406 | F | 26.2 | Very low | 27.2 | Very low | 206 Ų | 206 | 153.2 Ų | 153.2 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | trans | -170.1 | 120.1 | 150.6 | -93.8 | -68.6 | 0 | 0 | 0 | 103.7 | ||||
| 1407 | N | 25.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | 53.7 | 122.5 | 56.9 | -67.8 | 41.9 | 0 | 0 | 0 | 110.9 | |||||
| 1408 | C | 25.2 | Very low | 27.3 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | cis | -109 | 154.4 | 16.1 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1409 | S | 27.5 | Very low | 27.6 | Very low | 67 Ų | 67 | 146 Ų | 146 | 47% | 0.469 | 74% | 0.74 | S | S | . | * | cis | 75.1 | 135.5 | 25.3 | 80.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1410 | E | 28 | Very low | 27.5 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -129 | 144.5 | -17 | -86.4 | -124.5 | -81.4 | 0 | 0 | 107.8 | ||||
| 1411 | H | 28.2 | Very low | 27.9 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | cis | 98 | 150.3 | 35.9 | -61.8 | 2 | 0 | 0 | 0 | 113.1 | ||||
| 1412 | P | 33.7 | Very low | 27.8 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -129.4 | 174.8 | -136.3 | 43.3 | -31 | 0 | 0 | 0 | 116.3 | ||||
| 1413 | I | 27.5 | Very low | 27.7 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -127.9 | 107.7 | 157.9 | -70.5 | 91.5 | 0 | 0 | 0 | 108.1 | ||||
| 1414 | R | 24.3 | Very low | 27.6 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 68% | 0.683 | 72% | 0.724 | S | S | * | * | 77.8 | 137.6 | 84 | -133 | 172.4 | 167.6 | -179.9 | -1 | 111.5 | |||||
| 1415 | W | 25.5 | Very low | 27.7 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 75% | 0.746 | 72% | 0.717 | S | S | * | * | cis | -141.9 | 157.8 | 38.3 | -74.2 | 78.6 | 0 | 0 | 0 | 116.7 | ||||
| 1416 | K | 26.8 | Very low | 27.7 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | trans | -85.9 | 154.6 | 174.5 | -61.1 | -177.7 | 176.8 | -174.8 | 0 | 111.5 | ||||
| 1417 | V | 27.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | trans | -77 | 125.9 | 156.3 | 178.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1418 | G | 29.9 | Very low | 27.6 | Very low | 62 Ų | 62 | 139.9 Ų | 139.9 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | trans | -162 | 142.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1419 | P | 29.7 | Very low | 27.7 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -93.8 | 125.3 | -173.3 | 33.7 | -32.1 | 0 | 0 | 0 | 113.8 | ||||
| 1420 | S | 25.1 | Very low | 27.9 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 65.3 | 167.4 | 150.4 | -59.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1421 | P | 32.2 | Very low | 28 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | cis | -129.7 | 157.5 | -25.4 | 34 | -18 | 0 | 0 | 0 | 115 | ||||
| 1422 | L | 25.1 | Very low | 28 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | 62.3 | 167.8 | 145.5 | -67.7 | 166.4 | 0 | 0 | 0 | 118.7 | ||||
| 1423 | H | 29.4 | Very low | 27.7 | Very low | 139 Ų | 139 | 148 Ų | 148 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | cis | -153.9 | 130.9 | 11.7 | -135.7 | -54.8 | 0 | 0 | 0 | 113.4 | ||||
| 1424 | T | 28.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 58% | 0.583 | 74% | 0.744 | S | S | * | * | trans | 53.3 | 173.6 | 143.2 | 43.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1425 | H | 28.7 | Very low | 27.6 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | cis | -124.7 | 164.6 | -3.1 | -90.4 | -64.7 | 0 | 0 | 0 | 108.8 | ||||
| 1426 | R | 25.8 | Very low | 27.6 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | S | Bend | -173.5 | 125.2 | 57.3 | -175.4 | -174.9 | -166.1 | 179.8 | 4.7 | 106.3 | |||
| 1427 | K | 24.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -134.7 | 175.1 | 45.5 | -76.9 | -178.1 | 164.7 | -167.5 | 0 | 113.8 | ||
| 1428 | E | 25.7 | Very low | 27.5 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 54.7 | 80.1 | 160.2 | -82.6 | 123.2 | -115.7 | 0 | 0 | 119 | ||||
| 1429 | S | 28.7 | Very low | 27.8 | Very low | 87 Ų | 87 | 145.5 Ų | 145.5 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | 0 | 150.2 | 108.4 | 58.3 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1430 | S | 30.7 | Very low | 27.6 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | cis | -168.9 | 175 | -1.6 | -107.3 | 0 | 0 | 0 | 0 | 111.5 | R1432 | S1430-R1432 PolarHBondContact O-N 3.38Š| ||
| 1431 | I | 29.8 | Very low | 27.7 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | -12.8 | 121.1 | 151.7 | -62.7 | 167.6 | 0 | 0 | 0 | 114 | K1433 | I1431-K1433 PolarHBondContact O-N 2.95Š| ||
| 1432 | R | 27.9 | Very low | 27.3 | Very low | 229 Ų | 229 | 148 Ų | 148 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -53.6 | 131.9 | 171.2 | -60.1 | 170.5 | 173.8 | 167 | -5.3 | 111.1 | S1430 | S1430-R1432 PolarHBondContact O-N 3.38Š| ||
| 1433 | K | 28.4 | Very low | 27.4 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | -178 | 130.8 | 95.2 | -100.5 | 178 | 178.4 | 179.6 | 0 | 113.5 | I1431 | I1431-K1433 PolarHBondContact O-N 2.95Š| |||
| 1434 | A | 25.2 | Very low | 27.2 | Very low | 97 Ų | 97 | 151 Ų | 151 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 64.4 | 155.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1435 | T | 24.4 | Very low | 27.2 | Very low | 135 Ų | 135 | 153.3 Ų | 153.3 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | cis | -124.6 | 165.2 | 4 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1436 | E | 26.5 | Very low | 27.1 | Very low | 145 Ų | 145 | 154.4 Ų | 154.4 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -52.6 | 155.7 | 150.5 | -59.9 | 179.1 | 163 | 0 | 0 | 109.4 | ||||
| 1437 | K | 27.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | cis | -162.3 | 149.4 | 41.6 | -136.1 | 127.3 | -177.4 | 152.6 | 0 | 110.6 | Q1439 | K1437-Q1439 HydrophobicContact CG-CB 4.24Š| ||
| 1438 | L | 25.1 | Very low | 27.5 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -130 | 91.2 | 140 | -122.1 | 178 | 0 | 0 | 0 | 108.3 | ||||
| 1439 | Q | 34.4 | Very low | 27.6 | Very low | 162 Ų | 162 | 151 Ų | 151 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -128.8 | 107.6 | 164.3 | -94.5 | -169.1 | -24 | 0 | 0 | 108.1 | K1437 | K1437-Q1439 HydrophobicContact CG-CB 4.24Š| ||
| 1440 | S | 26.4 | Very low | 27.5 | Very low | 99 Ų | 99 | 154.1 Ų | 154.1 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -172.1 | 135.1 | 163.4 | 53.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1441 | K | 26.3 | Very low | 27.2 | Very low | 211 Ų | 211 | 158 Ų | 158 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -60.9 | 146.9 | 6.1 | -54.9 | 168.6 | -175.7 | 177 | 0 | 112.1 | ||
| 1442 | A | 25.1 | Very low | 27.1 | Very low | 83 Ų | 83 | 155.9 Ų | 155.9 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -146.4 | 140 | 9.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1443 | F | 26.2 | Very low | 27.1 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | 48.5 | 102.4 | 156.7 | -69.6 | -77.5 | 0 | 0 | 0 | 124.5 | ||||
| 1444 | H | 25.6 | Very low | 27.1 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | 21.6 | 140.5 | 116.5 | -66.5 | -83.9 | 0 | 0 | 0 | 120.3 | |||||
| 1445 | L | 28.2 | Very low | 27 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | -166 | 139.3 | 76.5 | -99.4 | 167.1 | 0 | 0 | 0 | 116.4 | |||||
| 1446 | K | 27.9 | Very low | 27.2 | Very low | 176 Ų | 176 | 153 Ų | 153 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 28.8 | 128.1 | 150.4 | -69.1 | 175.3 | -174 | 172.9 | 0 | 122.5 | ||||
| 1447 | K | 27.5 | Very low | 27.2 | Very low | 212 Ų | 212 | 153.7 Ų | 153.7 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | -145.6 | 153.5 | 111.9 | -139.5 | 170.6 | -173.7 | 176.5 | 0 | 110.3 | |||||
| 1448 | I | 30.8 | Very low | 27.1 | Very low | 127 Ų | 127 | 155 Ų | 155 | 65% | 0.651 | 79% | 0.79 | S | S | * | * | trans | -139.9 | 135.5 | -167.9 | -70.7 | 176.6 | 0 | 0 | 0 | 111.1 | ||||
| 1449 | N | 28.1 | Very low | 27.1 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 64.4 | 160.8 | 166.2 | -70.4 | -18.1 | 0 | 0 | 0 | 117.7 | ||||
| 1450 | L | 26.2 | Very low | 26.6 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | cis | -139.2 | 177.6 | 9.6 | -155.3 | 121.2 | 0 | 0 | 0 | 113.4 | ||||
| 1451 | K | 24.4 | Very low | 26.5 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -69.4 | 154.7 | -171.4 | -50.6 | 168.5 | -179.8 | 175.7 | 0 | 116 | ||||
| 1452 | S | 28.1 | Very low | 26.5 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | -170.8 | -177.5 | 118.9 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1453 | T | 27.5 | Very low | 26.4 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -144.6 | 156 | -152.2 | 50.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1454 | N | 27.2 | Very low | 26.5 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 82.5 | 169.5 | 154.4 | -65.9 | -3.4 | 0 | 0 | 0 | 119.2 | ||||
| 1455 | D | 24.3 | Very low | 26.6 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -148.6 | 165 | -138.1 | -163.7 | 5.1 | 0 | 0 | 0 | 111.6 | ||||
| 1456 | K | 28 | Very low | 26.6 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | 72.6 | 98.8 | 168.1 | -65.3 | 178.9 | 179.4 | 175.2 | 0 | 121.9 | ||||
| 1457 | I | 26.6 | Very low | 26.6 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | 46 | 108.8 | 122.3 | -52.8 | 165.5 | 0 | 0 | 0 | 119.2 | |||||
| 1458 | I | 25.8 | Very low | 26.8 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -132.5 | 157.4 | 132.8 | -66.7 | -173.2 | 0 | 0 | 0 | 107.5 | ||||
| 1459 | S | 24.9 | Very low | 26.6 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | -102.5 | 177.6 | -169.6 | 55.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1460 | L | 24.1 | Very low | 26.6 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 93 | 103.7 | 166.6 | -94.8 | 74.2 | 0 | 0 | 0 | 120.6 | ||||
| 1461 | T | 23 | Very low | 26.9 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 14.5 | 120.9 | 133.8 | 54.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1462 | K | 26.3 | Very low | 27.4 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | -177.7 | 139.2 | 126.5 | -96.1 | 166 | -179.9 | -178.3 | 0 | 107.7 | |||||
| 1463 | L | 23.8 | Very low | 27.2 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | 57.4 | 123.4 | 69.9 | -69.3 | 164.2 | 0 | 0 | 0 | 111.6 | |||||
| 1464 | T | 28.2 | Very low | 27.2 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | cis | -157.1 | 150.4 | 13.9 | 24.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1465 | N | 28.5 | Very low | 27.1 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 45.2 | 124.8 | 135.6 | -50.5 | 3.1 | 0 | 0 | 0 | 123.2 | ||||
| 1466 | F | 28.2 | Very low | 27.7 | Very low | 218 Ų | 218 | 139.9 Ų | 139.9 | 96% | 0.956 | 78% | 0.775 | S | S | * | * | -113.9 | 135.3 | 101.8 | -84.3 | -106.6 | 0 | 0 | 0 | 105.7 | |||||
| 1467 | G | 27.6 | Very low | 27.6 | Very low | 64 Ų | 64 | 137.7 Ų | 137.7 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | 87.2 | 121.6 | 74.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1468 | V | 31.2 | Very low | 27.4 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | cis | -141.6 | 163.5 | 17.1 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1469 | D | 26.7 | Very low | 27.5 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -69.4 | 161.5 | -169.7 | -40.3 | -89.2 | 0 | 0 | 0 | 117.3 | ||||
| 1470 | S | 28.7 | Very low | 27.6 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 163.6 | 140 | 114.9 | -74.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1471 | T | 32.2 | Very low | 27.8 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -142.5 | 124.6 | 162.2 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1472 | P | 33.9 | Very low | 28 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -130.3 | 146.8 | 141.9 | 12.8 | 9.3 | 0 | 0 | 0 | 110.9 | ||||
| 1473 | L | 24.6 | Very low | 28.2 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | 81.3 | 122.3 | 50 | -81.7 | 168.1 | 0 | 0 | 0 | 115.9 | |||||
| 1474 | L | 27.6 | Very low | 28.4 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 75.5 | 112.6 | 156.4 | -60.5 | 164.9 | 0 | 0 | 0 | 120.9 | ||||
| 1475 | L | 25.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | 34.5 | 160.9 | 109.2 | -76 | 172.8 | 0 | 0 | 0 | 121 | |||||
| 1476 | P | 35.4 | Very low | 28.4 | Very low | 100 Ų | 100 | 133 Ų | 133 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | cis | -142.3 | -162.5 | 1.5 | 25.6 | 2.4 | 0 | 0 | 0 | 115.8 | ||||
| 1477 | V | 25.9 | Very low | 28.9 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | trans | 78.3 | 123.7 | 158.3 | -156.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1478 | N | 23.2 | Very low | 29.1 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | 61.3 | 147.1 | 69.8 | -111.4 | 14 | 0 | 0 | 0 | 112.8 | |||||
| 1479 | V | 28.1 | Very low | 29.1 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 58% | 0.582 | 73% | 0.734 | S | S | * | * | cis | -163.5 | 155.8 | 11.9 | 77.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1480 | Q | 26 | Very low | 29.2 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | trans | 62.5 | 165.6 | 159.6 | -82.4 | 167 | -88.8 | 0 | 0 | 119.5 | ||||
| 1481 | D | 29.3 | Very low | 29.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -151.5 | 171.3 | 5.3 | -131.2 | -27.5 | 0 | 0 | 0 | 114.2 | ||||
| 1482 | S | 28.2 | Very low | 29 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | trans | 30 | 147.1 | 147.8 | 73.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1483 | E | 29.3 | Very low | 28.8 | Very low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | cis | -163.8 | -166.1 | 3.3 | -127.6 | -168.7 | 149.5 | 0 | 0 | 114.2 | ||||
| 1484 | K | 28.4 | Very low | 29.1 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | trans | -61.8 | 172.5 | -178.3 | -49.4 | 134.1 | -177.3 | 162.4 | 0 | 113.6 | ||||
| 1485 | T | 30.1 | Very low | 29.1 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | cis | -161.4 | 167.4 | 25 | -28.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1486 | T | 27.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | trans | -79.2 | -178.6 | 172 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1487 | P | 38.5 | Very low | 28.7 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | cis | -138.5 | -169.8 | -10.6 | 25.9 | 0.3 | 0 | 0 | 0 | 116.8 | ||||
| 1488 | T | 30.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 87.3 | 98.2 | 142.1 | 28.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1489 | S | 31.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | 76.1 | 124.3 | 121.4 | 71.3 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1490 | K | 30 | Very low | 29 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 92% | 0.922 | 75% | 0.754 | S | S | * | * | trans | 64.7 | 135.1 | 151.5 | -61.2 | 173.8 | -178.9 | 178.8 | 0 | 118.5 | ||||
| 1491 | G | 28.1 | Very low | 29 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | cis | 170.8 | 158.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1492 | N | 28 | Very low | 28.8 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | 66.8 | 147.5 | 166.6 | -75.6 | 7.7 | 0 | 0 | 0 | 122.5 | ||||
| 1493 | T | 29.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | 52.7 | 109.4 | 161.7 | 46.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1494 | Y | 31 | Very low | 28.8 | Very low | 231 Ų | 231 | 142.5 Ų | 142.5 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | -144.5 | 156.6 | 71.4 | -117.9 | -96.6 | 0 | 0 | 0 | 114.5 | |||||
| 1495 | L | 27.1 | Very low | 28.6 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -90.6 | 136.1 | 173 | -77.3 | 156.8 | 0 | 0 | 0 | 110.7 | ||||
| 1496 | Q | 28.8 | Very low | 28.6 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | trans | -149.3 | 134.1 | 131.2 | -142.6 | 162.4 | 6.2 | 0 | 0 | 111.1 | ||||
| 1497 | T | 24 | Very low | 28.7 | Very low | 108 Ų | 108 | 136 Ų | 136 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | trans | -81.1 | 162.8 | 172.9 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1498 | D | 27.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | 161.3 | 158.1 | 125.5 | -86.8 | 9.9 | 0 | 0 | 0 | 110.7 | |||||
| 1499 | M | 30 | Very low | 28 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 61% | 0.611 | 77% | 0.768 | S | S | * | * | cis | -172.4 | 137.2 | -24 | 162.4 | 174.1 | 45.3 | 0 | 0 | 106.6 | I1501 | M1499-I1501 HydrophobicContact CG-CB 4.31Š| ||
| 1500 | F | 26.3 | Very low | 28.3 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -145.2 | 61.2 | 146.6 | -111.8 | -67.1 | 0 | 0 | 0 | 112.1 | ||||
| 1501 | I | 25.1 | Very low | 28.2 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 65% | 0.651 | 76% | 0.764 | S | S | * | * | trans | -70.7 | 146.5 | 160.2 | -80.7 | 175.8 | 0 | 0 | 0 | 109.8 | M1499 | M1499-I1501 HydrophobicContact CG-CB 4.31Š| ||
| 1502 | S | 26.3 | Very low | 28.2 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 10 | 131.5 | 156.5 | -50.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1503 | K | 28.5 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -135.6 | 141.4 | 158.8 | -72.1 | -148.5 | 173.8 | -176.5 | 0 | 112.5 | ||||
| 1504 | L | 27.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | cis | -163.2 | 144.7 | -25.5 | -148.2 | 73.8 | 0 | 0 | 0 | 111.1 | ||||
| 1505 | S | 25.5 | Very low | 28.2 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | 34 | 139.9 | 140.6 | 66.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 1506 | A | 30.6 | Very low | 28.2 | Very low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | -154.2 | 139.3 | 109.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1507 | A | 28.7 | Very low | 28.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | cis | 69.4 | 132.4 | 43.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1508 | Q | 28.2 | Very low | 28.4 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | cis | -165.1 | -177.7 | -1.7 | -126.2 | 176.2 | 4.1 | 0 | 0 | 110.7 | ||||
| 1509 | S | 26.2 | Very low | 28.4 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | 93.3 | 153.6 | 164.8 | 79.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1510 | P | 37.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -122.3 | -161.1 | -159.5 | 43.8 | -28 | 0 | 0 | 0 | 116 | ||||
| 1511 | D | 26.2 | Very low | 28.4 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 77.8 | 95.8 | 170.9 | -69.9 | -7.1 | 0 | 0 | 0 | 120.2 | ||||
| 1512 | K | 29.5 | Very low | 28.4 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | 167.9 | 121.6 | 109.9 | -89.2 | 172.5 | -178.7 | 176 | 0 | 115.7 | |||||
| 1513 | I | 26.4 | Very low | 28.4 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 52.5 | 134.9 | 132.3 | -39 | 158.1 | 0 | 0 | 0 | 119.3 | ||||
| 1514 | P | 35.7 | Very low | 28.3 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | cis | -145.3 | 179.5 | -40.7 | 44.3 | -24.6 | 0 | 0 | 0 | 116 | ||||
| 1515 | C | 25.3 | Very low | 28.1 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 60.1 | 140.7 | 145.2 | -68.4 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1516 | C | 27.2 | Very low | 28.1 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | 83.4 | 112.6 | 146.4 | -69.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1517 | E | 27.7 | Very low | 27.8 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | 72.2 | 133.5 | 128.4 | -69.6 | 158.4 | -131 | 0 | 0 | 121.1 | |||||
| 1518 | D | 29.4 | Very low | 28 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | cis | -157.2 | -178.7 | -17.7 | -143.3 | -25.4 | 0 | 0 | 0 | 112.4 | ||||
| 1519 | R | 28 | Very low | 28 | Very low | 211 Ų | 211 | 142.1 Ų | 142.1 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -57.5 | 134.9 | -165.6 | -78.5 | 168.7 | 164.9 | 158.3 | -4.3 | 118.9 | ||||
| 1520 | E | 27.7 | Very low | 28.1 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | 32.2 | 145.3 | 96.3 | -55.1 | -171.8 | 154.9 | 0 | 0 | 119 | |||||
| 1521 | H | 29.3 | Very low | 27.7 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 60% | 0.602 | 75% | 0.749 | S | S | * | * | cis | -168.3 | 164.3 | 0.9 | -116.1 | 14.6 | 0 | 0 | 0 | 108.9 | ||||
| 1522 | N | 24.4 | Very low | 27.8 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | -157.3 | 147.8 | 131.7 | -130.1 | -31 | 0 | 0 | 0 | 112.7 | ||||
| 1523 | I | 26.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 59% | 0.585 | 74% | 0.743 | S | S | * | * | trans | -149.2 | 139.1 | -160.3 | -100.7 | 172.9 | 0 | 0 | 0 | 112.8 | ||||
| 1524 | H | 26.4 | Very low | 28 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | 53.4 | 102.8 | 157.2 | -77.8 | -121 | 0 | 0 | 0 | 123 | ||||
| 1525 | S | 23.7 | Very low | 27.7 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | 59.2 | 144.1 | 96.3 | -153.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1526 | I | 24.9 | Very low | 27.9 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | 117.6 | 115.8 | 147.2 | -60 | -176 | 0 | 0 | 0 | 120.3 | ||||
| 1527 | R | 25.4 | Very low | 27.9 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | trans | 74.3 | 167 | 151.9 | -93.6 | 178.7 | 162.2 | 166.9 | -6.9 | 123.9 | ||||
| 1528 | N | 32.9 | Very low | 27.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -123.6 | 160 | -159.5 | -45.3 | -9.2 | 0 | 0 | 0 | 113.7 | ||||
| 1529 | S | 28.3 | Very low | 27.8 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -166.5 | -162 | 141.8 | 40.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1530 | Y | 27.1 | Very low | 27.6 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | trans | -130.9 | 169 | -147.8 | -120.6 | -98 | 0 | 0 | 0 | 115.3 | ||||
| 1531 | I | 30.3 | Very low | 27.6 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | trans | 74.6 | 142.5 | 171.8 | -60.6 | 158.4 | 0 | 0 | 0 | 113.9 | ||||
| 1532 | G | 29.1 | Very low | 27.5 | Very low | 61 Ų | 61 | 135.7 Ų | 135.7 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | cis | 138 | 145.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1533 | L | 29.6 | Very low | 27.6 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | cis | -116.4 | -118.5 | 0.9 | -75.2 | 162.8 | 0 | 0 | 0 | 111.5 | ||||
| 1534 | F | 28.7 | Very low | 27.6 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 61% | 0.614 | 73% | 0.727 | S | S | * | * | cis | -158.8 | 161.5 | -4.9 | -124 | -47.2 | 0 | 0 | 0 | 111.3 | ||||
| 1535 | D | 29.7 | Very low | 28.1 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 52% | 0.524 | 72% | 0.72 | S | S | . | * | trans | -6.9 | 160.7 | 161.7 | -73.1 | -7.2 | 0 | 0 | 0 | 125.3 | ||||
| 1536 | K | 30.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 50% | 0.496 | 72% | 0.723 | S | S | . | * | cis | -168.2 | 165.9 | -26.2 | -121 | 176.4 | -176.1 | -179.3 | 0 | 110.6 | E1646 E1647 | K1536-E1646 IonicContact NZ-OE1 3.85Å; K1536-E1646 PolarHBondContact NZ-OE1 3.16Å; K1536-E1647 IonicContact NZ-OE1 3.95Å; K1536-E1647 PolarHBondContact NZ-OE1 3.38Å | ||
| 1537 | C | 26.3 | Very low | 28.4 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | 65.4 | 154.6 | 161 | -67.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1538 | C | 26.1 | Very low | 28.8 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 69% | 0.689 | 71% | 0.711 | S | S | * | * | cis | -161.5 | 179.1 | -18.9 | -114.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1539 | H | 28.9 | Very low | 28.8 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | trans | 74.1 | 132.3 | 178.4 | -63.7 | 81.5 | 0 | 0 | 0 | 117.3 | ||||
| 1540 | C | 24.2 | Very low | 29 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | cis | 116.7 | 151.4 | 0.8 | -65.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1541 | M | 27.7 | Very low | 29.3 | Very low | 165 Ų | 165 | 129 Ų | 129 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | 75 | 133.4 | -174.4 | -48.4 | -82.1 | 69.2 | 0 | 0 | 113.9 | ||||
| 1542 | S | 26.8 | Very low | 29.3 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | cis | 75.9 | 133.6 | 45.6 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1543 | D | 26.9 | Very low | 29.5 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | cis | -157.1 | 171.6 | -10.8 | -112.2 | -58 | 0 | 0 | 0 | 111.6 | ||||
| 1544 | V | 25.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -71.5 | 158.6 | -179.9 | 157 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1545 | P | 37.4 | Very low | 29.9 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | cis | -144.6 | -177.9 | 25.1 | 35.3 | -10.7 | 0 | 0 | 0 | 120.6 | ||||
| 1546 | E | 27.1 | Very low | 29.9 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | 92.6 | 143.5 | 134.3 | -92.6 | 157.6 | -159.1 | 0 | 0 | 126.2 | ||||
| 1547 | D | 27.2 | Very low | 29.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | 43.7 | 120.3 | 163.2 | -62.6 | -10.4 | 0 | 0 | 0 | 121.7 | ||||
| 1548 | N | 34 | Very low | 30.1 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | -173.4 | 155.7 | 63.1 | -104.1 | -70 | 0 | 0 | 0 | 113.5 | |||||
| 1549 | L | 34 | Very low | 30.3 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | trans | 54.1 | 151.7 | 143.2 | -62.2 | 167.5 | 0 | 0 | 0 | 121.7 | ||||
| 1550 | N | 31.8 | Very low | 30.3 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | cis | -168.7 | 166.3 | -30.8 | -152.4 | -13.3 | 0 | 0 | 0 | 110 | ||||
| 1551 | I | 34.4 | Very low | 30.6 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | 66.9 | 141.8 | 159.9 | -61.6 | 155.6 | 0 | 0 | 0 | 118.2 | ||||
| 1552 | G | 29.2 | Very low | 30.7 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -155.7 | 156 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1553 | I | 33.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -130.9 | 151.5 | 175.7 | -64.9 | -176.5 | 0 | 0 | 0 | 109.9 | ||||
| 1554 | N | 34.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | -117.8 | 138.1 | -164.5 | -113.6 | -83.7 | 0 | 0 | 0 | 112.4 | ||||
| 1555 | K | 32 | Very low | 31.2 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | 67.4 | 156.4 | 146.5 | -68.2 | 166.6 | 179.8 | 127.9 | 0 | 116.2 | ||||
| 1556 | Q | 31.2 | Very low | 30.9 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | -161.1 | 177 | 2.9 | -132.4 | 171.8 | -65.2 | 0 | 0 | 113 | ||||
| 1557 | N | 30.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | trans | 86.5 | 90.6 | 145.4 | -71.2 | -3 | 0 | 0 | 0 | 122.7 | ||||
| 1558 | T | 31.1 | Very low | 31.2 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | 70.7 | 129.8 | 116.7 | 53.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1559 | R | 29.3 | Very low | 31.1 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | 99.8 | 122.7 | 134.1 | -87.2 | 180 | 175.7 | -171.2 | -2.2 | 120.3 | ||||
| 1560 | Q | 29.6 | Very low | 30.7 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -58.4 | 155.6 | 168.9 | -54.1 | 141.4 | -47.9 | 0 | 0 | 112.9 | ||||
| 1561 | V | 29.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | -165.7 | 167.6 | 104.8 | 147.5 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1562 | I | 29.9 | Very low | 30.4 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -109.2 | 147.1 | -154.8 | -66.2 | 162.7 | 0 | 0 | 0 | 113.7 | ||||
| 1563 | G | 28.2 | Very low | 30.8 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 128.5 | 135.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1564 | G | 29.1 | Very low | 30.6 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 170 | 148.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1565 | S | 32.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 30.7 | 124.9 | 159.1 | 62.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1566 | T | 31.7 | Very low | 29.9 | Very low | 139 Ų | 139 | 136 Ų | 136 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | cis | -149 | -158.1 | 38.4 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1567 | S | 32.1 | Very low | 29.7 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -157 | -164.4 | 12.1 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1568 | N | 27.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -120.7 | 151.1 | -173.1 | -59.8 | -26.6 | 0 | 0 | 0 | 113.5 | ||||
| 1569 | I | 32.6 | Very low | 29.8 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | -170.5 | 152.8 | 134.5 | -99.4 | 156 | 0 | 0 | 0 | 108.9 | ||||
| 1570 | S | 25.8 | Very low | 29.6 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -136.3 | 149.8 | -175 | 57.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1571 | V | 30.7 | Very low | 29.5 | Very low | 126 Ų | 126 | 128 Ų | 128 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | 165.2 | 110.2 | 142.2 | 152.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1572 | T | 28.9 | Very low | 29.4 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 40.1 | 162.2 | 142.7 | 72.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1573 | P | 38 | Very low | 29.3 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | cis | -140.2 | -164.4 | -45.4 | 38.5 | -18.6 | 0 | 0 | 0 | 113.7 | ||||
| 1574 | I | 29 | Very low | 29.3 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 100.3 | 144.9 | 167.7 | -58.7 | 170.4 | 0 | 0 | 0 | 116.5 | ||||
| 1575 | D | 23.8 | Very low | 29.3 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -78.3 | 156.5 | -160.1 | -51.6 | -93.9 | 0 | 0 | 0 | 117.4 | ||||
| 1576 | I | 28 | Very low | 29.1 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | 164.9 | 131 | 115.9 | -84.8 | 164.2 | 0 | 0 | 0 | 112.7 | |||||
| 1577 | S | 26.8 | Very low | 29 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | 72.7 | 124 | 153.9 | 72.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 1578 | T | 26.9 | Very low | 28.9 | Very low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | 72.8 | 168.8 | 137.7 | 66.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1579 | P | 35.5 | Very low | 29.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | -134.3 | -178.6 | -101.8 | 30.4 | -5.3 | 0 | 0 | 0 | 116.9 | |||||
| 1580 | S | 25.6 | Very low | 29.2 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | 75.9 | 153.6 | 172.9 | 83.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1581 | H | 28 | Very low | 29.4 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | cis | -147.7 | 147.1 | 1.8 | -134.7 | -61.7 | 0 | 0 | 0 | 111.3 | ||||
| 1582 | S | 27.5 | Very low | 29.5 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | trans | -51.8 | 162.6 | -177.5 | 60.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1583 | Q | 27.9 | Very low | 29.6 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | cis | -159.6 | 168.5 | 35.7 | -49.1 | 170.6 | 8.3 | 0 | 0 | 113.5 | ||||
| 1584 | N | 28 | Very low | 29.3 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | 54 | 144.1 | 147.4 | -61.3 | -14.8 | 0 | 0 | 0 | 120.3 | ||||
| 1585 | R | 27.8 | Very low | 29.3 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | cis | -166.8 | 150.7 | 20.9 | -140.6 | -174.6 | 144.6 | 150.8 | 1 | 111.4 | ||||
| 1586 | D | 28.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | trans | 61.6 | 169.9 | 160.2 | -49.8 | -28.8 | 0 | 0 | 0 | 115 | ||||
| 1587 | E | 29.1 | Very low | 29.8 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | cis | -167.3 | 176.9 | -16.3 | -107.1 | 175.3 | -146.2 | 0 | 0 | 106.2 | ||||
| 1588 | T | 31.4 | Very low | 30 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 51% | 0.509 | 73% | 0.734 | S | S | . | * | cis | -161.5 | 147.8 | 3.1 | 3.5 | 0 | 0 | 0 | 0 | 112.3 | E1600 | T1588-E1600 VanDerWaalsContact CA-OE1 3.28Å; T1588-E1600 WeakPolarHBondContact CA-OE1 3.42Å; T1588-E1600 VanDerWaalsContact CG2-CD 3.49Å; T1588-E1600 VanDerWaalsContact CG2-OE1 3.25Å; T1588-E1600 WeakPolarHBondContact CG2-OE1 3.36Å | ||
| 1589 | T | 31.6 | Very low | 30 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | trans | 63.1 | 171.8 | 161.6 | 76.4 | 0 | 0 | 0 | 0 | 120.8 | E1600 | T1589-E1600 WeakPolarHBondContact CA-OE2 3.49Å; T1589-E1600 WeakPolarHBondContact CG2-OE2 3.09Å; T1589-E1600 PolarHBondContact N-OE1 3.29Å; T1589-E1600 PolarHBondContact N-OE2 3.04Å | ||
| 1590 | K | 33.8 | Very low | 29.6 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 74% | 0.735 | 72% | 0.724 | S | S | * | * | cis | -158.5 | 159.7 | -7 | -140.7 | -158.3 | 178.8 | -158.3 | 0 | 115.1 | ||||
| 1591 | E | 30.6 | Very low | 29.8 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | trans | 52.4 | 138.9 | 154.6 | -111.4 | 176.5 | -101.9 | 0 | 0 | 126.8 | ||||
| 1592 | L | 32.2 | Very low | 29.9 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | trans | 71.3 | 104.1 | 164.8 | -77.5 | 166.2 | 0 | 0 | 0 | 122.3 | ||||
| 1593 | L | 31.4 | Very low | 29.8 | Very low | 149 Ų | 149 | 145 Ų | 145 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | trans | 55.8 | 127.8 | 147.1 | -65.6 | 169.4 | 0 | 0 | 0 | 119.4 | ||||
| 1594 | K | 31.5 | Very low | 29.6 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | cis | -163.1 | 133.8 | 3.7 | -163.4 | 177.9 | -171 | 179.1 | 0 | 110.6 | ||||
| 1595 | S | 30.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 71.1 | 152 | 178.3 | 85.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1596 | P | 32.8 | Very low | 29.1 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | -134.6 | 117.2 | -83.8 | 30.3 | -11.4 | 0 | 0 | 0 | 114.6 | |||||
| 1597 | N | 29.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -156.2 | 132.9 | 164.8 | -109.7 | -54.1 | 0 | 0 | 0 | 114.2 | ||||
| 1598 | K | 29.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | 47.4 | 121.3 | 158.2 | -69.1 | -173.7 | 175.6 | 179.7 | 0 | 123.3 | ||||
| 1599 | L | 27.9 | Very low | 28.2 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | 50 | 126.8 | 136.6 | -82.7 | 80.1 | 0 | 0 | 0 | 121.6 | ||||
| 1600 | E | 26.2 | Very low | 28 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 49% | 0.491 | 73% | 0.73 | S | S | . | * | -149.6 | 177.8 | 119.6 | -151.1 | 144.4 | -118 | 0 | 0 | 110.3 | T1588 T1589 | T1588-E1600 VanDerWaalsContact CA-OE1 3.28Å; T1588-E1600 WeakPolarHBondContact CA-OE1 3.42Å; T1588-E1600 VanDerWaalsContact CG2-CD 3.49Å; T1588-E1600 VanDerWaalsContact CG2-OE1 3.25Å; T1588-E1600 WeakPolarHBondContact CG2-OE1 3.36Å; T1589-E1600 WeakPolarHBondContact CA-OE2 3.49Å; T1589-E1600 WeakPolarHBondContact CG2-OE2 3.09Å; T1589-E1600 PolarHBondContact N-OE1 3.29Å; T1589-E1600 PolarHBondContact N-OE2 3.04Å | |||
| 1601 | N | 30.6 | Very low | 27.6 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -149 | 165.9 | -164.9 | -158.5 | -3.4 | 0 | 0 | 0 | 113.5 | ||||
| 1602 | Q | 29 | Very low | 27.5 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | trans | 81.5 | 134.7 | 164.4 | -67.1 | -156.2 | -0.5 | 0 | 0 | 123 | ||||
| 1603 | F | 25.5 | Very low | 27.2 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | trans | 38.6 | 120.8 | 145.5 | -73.1 | -86 | 0 | 0 | 0 | 121.3 | ||||
| 1604 | T | 24.7 | Very low | 27 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 72% | 0.723 | S | S | * | * | -157.2 | 144.5 | 87.4 | 18.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1605 | S | 22.1 | Very low | 26.6 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | 58.4 | 136.8 | 78.6 | -43.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1606 | T | 23.1 | Very low | 26.5 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | cis | -163 | 179 | 24 | -23.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1607 | T | 24.1 | Very low | 26.2 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | 73.6 | 106.3 | 144.8 | 44.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1608 | M | 21.9 | Very low | 26.1 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | 71.4 | 139.5 | 109.1 | -65.5 | -72.5 | -170.7 | 0 | 0 | 122.3 | |||||
| 1609 | F | 24 | Very low | 25.9 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 77% | 0.768 | 72% | 0.718 | S | S | * | * | trans | 65.3 | 148.1 | 156.3 | -62.2 | -54.2 | 0 | 0 | 0 | 116.8 | ||||
| 1610 | N | 27.4 | Very low | 25.8 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | cis | -149 | 143.5 | 12.1 | -142.7 | 36.5 | 0 | 0 | 0 | 114 | ||||
| 1611 | D | 25.5 | Very low | 26 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | trans | 51.7 | 140.5 | 134 | -73 | -3.4 | 0 | 0 | 0 | 126.3 | ||||
| 1612 | N | 28.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | trans | 86.9 | 109.6 | 138.8 | -71.1 | -33.3 | 0 | 0 | 0 | 122.5 | ||||
| 1613 | N | 25.8 | Very low | 25.8 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | 51.3 | 125.1 | 124.8 | -50.7 | -34.2 | 0 | 0 | 0 | 120.4 | |||||
| 1614 | Y | 28 | Very low | 25.8 | Very low | 217 Ų | 217 | 134.9 Ų | 134.9 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | -167.9 | 168.8 | 86.2 | -111 | -81.4 | 0 | 0 | 0 | 112.4 | |||||
| 1615 | L | 23.2 | Very low | 25.8 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -78.3 | 154.8 | 171.3 | -55.9 | 84.3 | 0 | 0 | 0 | 110.9 | ||||
| 1616 | I | 28.2 | Very low | 26 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | -178.1 | 153.6 | 115.4 | -92.9 | 156.4 | 0 | 0 | 0 | 110.5 | |||||
| 1617 | A | 25.4 | Very low | 26 | Very low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -77.4 | 154.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1618 | S | 26.7 | Very low | 26.1 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 160.6 | 144.3 | 94.4 | 57 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1619 | K | 26.9 | Very low | 26.2 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 64.7 | 132.5 | 153.6 | -69.6 | 178.3 | 177 | -176.3 | 0 | 121.6 | ||||
| 1620 | S | 25.8 | Very low | 26.3 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 48.7 | 116.4 | 150 | 57.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1621 | L | 29.3 | Very low | 26.2 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | -148.2 | 158.7 | 70.2 | -96.2 | 153.2 | 0 | 0 | 0 | 113.5 | |||||
| 1622 | D | 26.6 | Very low | 26.1 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -87.5 | 129.7 | -173.1 | -59.6 | -84 | 0 | 0 | 0 | 113.9 | ||||
| 1623 | S | 29.6 | Very low | 26 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | -173.7 | 117.4 | 126.4 | 51 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1624 | N | 25 | Very low | 25.8 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -83.9 | 127.3 | 177.6 | -64.1 | -69 | 0 | 0 | 0 | 110.6 | ||||
| 1625 | H | 25.5 | Very low | 25.7 | Very low | 192 Ų | 192 | 134 Ų | 134 | 89% | 0.889 | 75% | 0.747 | S | S | * | * | trans | -167.3 | 112.8 | 137 | -109.9 | -72.7 | 0 | 0 | 0 | 111.4 | ||||
| 1626 | C | 25.3 | Very low | 25.6 | Very low | 129 Ų | 129 | 132 Ų | 132 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -156.4 | 137.3 | 159.8 | -156.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1627 | L | 23.3 | Very low | 25.4 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -100.8 | 132.6 | -175.3 | -84.7 | 159.8 | 0 | 0 | 0 | 111.1 | ||||
| 1628 | I | 26.3 | Very low | 25.3 | Very low | 152 Ų | 152 | 130 Ų | 130 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -136.7 | 105.2 | 159.1 | -65 | -171 | 0 | 0 | 0 | 111.7 | ||||
| 1629 | N | 24.4 | Very low | 25.1 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | 68.4 | 131.9 | 144 | -64.1 | -13.2 | 0 | 0 | 0 | 125.2 | ||||
| 1630 | S | 26.2 | Very low | 24.9 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | 84.4 | 139.9 | 140.5 | 73.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1631 | S | 25.2 | Very low | 24.8 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | cis | -170.2 | 148.9 | -20.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1632 | L | 23.7 | Very low | 24.6 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 46% | 0.461 | 72% | 0.723 | S | S | . | * | trans | 78.5 | 121.1 | 149.9 | -72.4 | 156.4 | 0 | 0 | 0 | 122.4 | ||||
| 1633 | H | 24.7 | Very low | 24.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 58% | 0.579 | 72% | 0.719 | S | S | * | * | trans | 91.1 | 121.4 | 140.2 | -82.9 | -54.2 | 0 | 0 | 0 | 124.2 | ||||
| 1634 | N | 22.3 | Very low | 24.2 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | trans | 66.9 | 111.9 | 140.6 | -57.4 | -10 | 0 | 0 | 0 | 120.7 | ||||
| 1635 | H | 25.1 | Very low | 24.2 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | -176.2 | 133.2 | 98.5 | -105.7 | -84.1 | 0 | 0 | 0 | 114.4 | |||||
| 1636 | S | 22 | Very low | 24.3 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | trans | 55.7 | 163.1 | 133.6 | -143.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1637 | T | 23.5 | Very low | 24.4 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 64% | 0.638 | 67% | 0.674 | S | S | * | * | trans | 87.6 | 135.6 | 157.6 | 0.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1638 | D | 23.4 | Very low | 24.7 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | trans | -74.8 | 152.7 | 174 | -28.2 | -94.3 | 0 | 0 | 0 | 111.9 | K44 | K44-D1638 IonicContact NZ-OD2 3.85Å; K44-D1638 PolarHBondContact NZ-OD2 2.95Å | ||
| 1639 | M | 23.6 | Very low | 24.9 | Very low | 135 Ų | 135 | 120.3 Ų | 120.3 | 67% | 0.665 | 64% | 0.639 | S | S | * | * | -152.3 | 160.1 | 128.7 | -119.2 | -61.4 | 164.5 | 0 | 0 | 111.7 | |||||
| 1640 | F | 22.7 | Very low | 25.1 | Very low | 190 Ų | 190 | 118.8 Ų | 118.8 | 83% | 0.833 | 63% | 0.627 | S | S | * | * | trans | -60.5 | 131.5 | 166.8 | -78.2 | -117.8 | 0 | 0 | 0 | 109.9 | ||||
| 1641 | C | 22 | Very low | 25 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 72% | 0.723 | 63% | 0.625 | S | S | * | * | -168.6 | 150.5 | 110 | -97.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1642 | I | 25.3 | Very low | 25.2 | Very low | 160 Ų | 160 | 121.5 Ų | 121.5 | 82% | 0.821 | 63% | 0.625 | S | S | * | * | trans | 57.2 | 126.2 | 143.9 | -63.4 | 165.8 | 0 | 0 | 0 | 117.3 | ||||
| 1643 | M | 22 | Very low | 25.5 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 70% | 0.704 | 63% | 0.629 | S | S | * | * | trans | -66.1 | 161.1 | 170.8 | -63.3 | -154.8 | -57.8 | 0 | 0 | 111.7 | ||||
| 1644 | Q | 26.2 | Very low | 25.8 | Very low | 158 Ų | 158 | 121.7 Ų | 121.7 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | trans | 77.1 | 108.8 | 148.9 | -82 | 165.2 | -33.8 | 0 | 0 | 117.6 | ||||
| 1645 | S | 25.9 | Very low | 26.2 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | 45.9 | 143.8 | 108.9 | 61.9 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1646 | E | 27.4 | Very low | 26.3 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 60% | 0.603 | 64% | 0.635 | S | S | * | * | cis | -161.5 | 170.1 | 7.6 | -124 | 156.6 | 156.4 | 0 | 0 | 111.3 | K1536 | K1536-E1646 IonicContact NZ-OE1 3.85Å; K1536-E1646 PolarHBondContact NZ-OE1 3.16Å | ||
| 1647 | E | 27.9 | Very low | 26.5 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 51% | 0.505 | 64% | 0.64 | S | S | . | * | trans | 65.1 | -178.7 | 148.9 | -76.3 | 157.2 | 176.6 | 0 | 0 | 116.4 | K1536 | K1536-E1647 IonicContact NZ-OE1 3.95Å; K1536-E1647 PolarHBondContact NZ-OE1 3.38Å | ||
| 1648 | E | 28.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 46% | 0.463 | 64% | 0.644 | S | S | . | * | cis | -155.6 | 179.5 | 19.3 | -157.5 | -171.5 | -143.1 | 0 | 0 | 112.1 | ||||
| 1649 | K | 29.9 | Very low | 26.6 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 43% | 0.426 | 65% | 0.647 | S | S | . | * | trans | 83.1 | 141 | 159.1 | -66.6 | 170.5 | 175.9 | -175.3 | 0 | 117.7 | E1654 | K1649-E1654 VanDerWaalsContact NZ-CG 3.28Å; K1649-E1654 IonicContact NZ-OE1 3.43Å; K1649-E1654 PolarHBondContact NZ-OE1 2.81Å | ||
| 1650 | Q | 29 | Very low | 26.6 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | S | Bend | cis | -137.3 | 148.2 | 2.4 | -153.7 | 77.8 | 41.7 | 0 | 0 | 105.9 | D1652 | Q1650-D1652 PolarHBondContact NE2-OD1 2.94Š|
| 1651 | D | 25.3 | Very low | 26.6 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 64% | 0.641 | S | S | * | * | S | Bend | cis | -122.8 | 144 | 20.4 | -42.5 | -42.7 | 0 | 0 | 0 | 110.9 | ||
| 1652 | D | 28.7 | Very low | 26.9 | Very low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | S | Bend | cis | -153.7 | 134.5 | 4.8 | -113.5 | -11.4 | 0 | 0 | 0 | 113.5 | Q1650 | Q1650-D1652 PolarHBondContact NE2-OD1 2.94Š|
| 1653 | I | 29.8 | Very low | 27.1 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 53% | 0.533 | 64% | 0.635 | S | S | . | * | trans | 71.7 | 88.5 | 137 | -58.1 | 169 | 0 | 0 | 0 | 120.2 | ||||
| 1654 | E | 31 | Very low | 27.3 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | 82.3 | 101.8 | 111.1 | -72.6 | 179.7 | 162.4 | 0 | 0 | 123 | K1649 | K1649-E1654 VanDerWaalsContact NZ-CG 3.28Å; K1649-E1654 IonicContact NZ-OE1 3.43Å; K1649-E1654 PolarHBondContact NZ-OE1 2.81Å | |||
| 1655 | S | 29.8 | Very low | 27.3 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | 51.4 | 98.9 | 118.3 | 70.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1656 | I | 28 | Very low | 27.3 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | 51.3 | 112 | 101.6 | -69.7 | 175.8 | 0 | 0 | 0 | 119.9 | |||||
| 1657 | Y | 27.1 | Very low | 27.3 | Very low | 202 Ų | 202 | 124.7 Ų | 124.7 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | trans | 78.4 | 136.9 | 137.6 | -89.3 | -119.2 | 0 | 0 | 0 | 123.4 | ||||
| 1658 | E | 24.6 | Very low | 27.2 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | trans | 62.8 | 148.2 | 156.7 | -53.1 | -72 | 70.9 | 0 | 0 | 117.2 | ||||
| 1659 | E | 23.6 | Very low | 27.5 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | cis | -151 | 174.4 | -6.8 | -134.1 | -161.1 | 146.9 | 0 | 0 | 109.7 | ||||
| 1660 | F | 22.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 128 Ų | 128 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | trans | 41 | 109.8 | 147.8 | -91.5 | -129.9 | 0 | 0 | 0 | 121.4 | ||||
| 1661 | I | 24.7 | Very low | 27.2 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 70% | 0.697 | 70% | 0.702 | S | S | * | * | 90.2 | 135.9 | 114.1 | -118.6 | -179.9 | 0 | 0 | 0 | 121.1 | |||||
| 1662 | L | 26.7 | Very low | 27.5 | Very low | 137 Ų | 137 | 126 Ų | 126 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | 73.9 | 118 | 156.8 | -67.4 | 172.8 | 0 | 0 | 0 | 122.6 | ||||
| 1663 | T | 29.2 | Very low | 27.6 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | trans | 78.6 | 96.9 | 136.2 | 49.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1664 | N | 28.1 | Very low | 27.5 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 88% | 0.882 | 72% | 0.72 | S | S | * | * | 37.3 | 123.9 | 115.3 | -58.5 | -3.4 | 0 | 0 | 0 | 119.6 | |||||
| 1665 | G | 25.7 | Very low | 27.3 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | 141.2 | 72.8 | 126.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1666 | S | 25 | Very low | 27.3 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 71.2 | 160.1 | 144.1 | 74 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1667 | S | 27.9 | Very low | 27.3 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | 61.7 | 116 | 173.3 | 32.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1668 | Q | 26.1 | Very low | 27.3 | Very low | 169 Ų | 169 | 122.7 Ų | 122.7 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | 51.5 | 125.2 | 51.3 | -65.9 | -165 | -24.9 | 0 | 0 | 113.7 | |||||
| 1669 | P | 34.9 | Very low | 27.4 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | -99.8 | 156 | 72.2 | -15.8 | 33.8 | 0 | 0 | 0 | 113.7 | |||||
| 1670 | S | 26.8 | Very low | 27.9 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | cis | 74.7 | 150.1 | 29.4 | 114.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1671 | S | 26.3 | Very low | 28.2 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | cis | -176.9 | 148.7 | -6.1 | 37.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1672 | S | 30 | Very low | 28 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -163.1 | 135.5 | 154.4 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1673 | S | 30.8 | Very low | 27.9 | Very low | 100 Ų | 100 | 120.1 Ų | 120.1 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | cis | -160.2 | 134.8 | -3.4 | 34.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1674 | L | 27.7 | Very low | 27.9 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | 51.4 | 141.6 | 92.9 | -81.3 | 87 | 0 | 0 | 0 | 115.2 | |||||
| 1675 | S | 26.9 | Very low | 27.9 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | cis | 178.5 | 151.5 | -9.6 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1676 | S | 30.1 | Very low | 28.4 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 165.3 | 162 | 150.1 | 40.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1677 | F | 29.6 | Very low | 28.5 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 80% | 0.798 | 72% | 0.718 | S | S | * | * | cis | -172.7 | 154 | -31.9 | -85.2 | -37.1 | 0 | 0 | 0 | 106.2 | ||||
| 1678 | S | 26.4 | Very low | 28.5 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | cis | -169 | 155.1 | -14.6 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1679 | D | 26.7 | Very low | 28.4 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | 33.4 | 116.3 | 153.9 | -52.2 | -28.7 | 0 | 0 | 0 | 121 | ||||
| 1680 | T | 33.1 | Very low | 27.9 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 77% | 0.767 | 71% | 0.713 | S | S | * | * | trans | -164.1 | 149 | 143.6 | 4.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1681 | H | 28.7 | Very low | 27.9 | Very low | 160 Ų | 160 | 128 Ų | 128 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | 38.5 | 115 | 159.5 | -62.8 | -58.9 | 0 | 0 | 0 | 120.4 | ||||
| 1682 | T | 22.1 | Very low | 28 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 63% | 0.632 | 72% | 0.719 | S | S | * | * | 56.3 | 124.3 | 65 | 74.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1683 | T | 23.4 | Very low | 28 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | 63.8 | 134.3 | 161 | 65.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1684 | T | 30.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | cis | -152.9 | 154.4 | 41.6 | 31.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1685 | N | 27.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | trans | 20.2 | 132.7 | 136.5 | -44.1 | -20.9 | 0 | 0 | 0 | 118.2 | ||||
| 1686 | N | 37.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | cis | -126.4 | 117.9 | 41.2 | -77.6 | -36.7 | 0 | 0 | 0 | 115.7 | ||||
| 1687 | N | 26.7 | Very low | 27.5 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | trans | -44.8 | 150.3 | 158.5 | -43.4 | -42.3 | 0 | 0 | 0 | 112 | ||||
| 1688 | N | 27.8 | Very low | 27.5 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | cis | -156.1 | 147.9 | 49.2 | -74.3 | -71.1 | 0 | 0 | 0 | 110.3 | ||||
| 1689 | Y | 23.8 | Very low | 27.6 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | 62.1 | 123.9 | 55.7 | -101.6 | -60.7 | 0 | 0 | 0 | 115.7 | |||||
| 1690 | N | 24.1 | Very low | 27.7 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | 63.5 | 139 | 158.1 | -61.2 | -26.9 | 0 | 0 | 0 | 116 | ||||
| 1691 | N | 26.4 | Very low | 27.5 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | cis | -153.7 | 171.6 | 21.1 | -100.9 | -34.2 | 0 | 0 | 0 | 107.1 | ||||
| 1692 | S | 29.8 | Very low | 27.5 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | cis | -171.8 | 161.1 | -10.9 | 54.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1693 | S | 29.5 | Very low | 27.8 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | 179.6 | 144.4 | 50.4 | 40.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1694 | N | 26.6 | Very low | 28 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 33.4 | 114.8 | 136.7 | -66.8 | 1.5 | 0 | 0 | 0 | 122.5 | ||||
| 1695 | T | 24.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | 29.8 | 106 | 108.9 | 49.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1696 | G | 27.2 | Very low | 28.4 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -141.7 | 80.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1697 | Y | 27.2 | Very low | 27.7 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | 71.8 | 132.7 | 94.4 | -96 | -84.4 | 0 | 0 | 0 | 115.5 | |||||
| 1698 | H | 29.6 | Very low | 27.5 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 71.3 | 135.9 | 172.8 | -64.1 | -65.9 | 0 | 0 | 0 | 118.3 | ||||
| 1699 | S | 28.6 | Very low | 27.5 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | cis | -166.4 | 140.9 | -18.6 | -155.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1700 | S | 28.6 | Very low | 27.5 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 64.9 | 150.2 | 149.2 | -56 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1701 | R | 28.2 | Very low | 28 | Very low | 223 Ų | 223 | 125.1 Ų | 125.1 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | cis | -153.5 | 129.5 | -4.1 | -116.5 | -178.3 | 165.8 | -179.7 | -4.5 | 105.5 | ||||
| 1702 | V | 28.1 | Very low | 28 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | 87.3 | 146 | 78.5 | 165.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1703 | V | 29.6 | Very low | 27.7 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | 73.4 | 111.1 | -171.7 | -156.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1704 | S | 27.5 | Very low | 27.7 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | cis | 90.8 | 139.8 | 30.5 | -52.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1705 | P | 36.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -81 | -177 | 176.6 | 37 | -37.7 | 0 | 0 | 0 | 111.7 | ||||
| 1706 | P | 29.1 | Very low | 27.7 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | -136.4 | 147.2 | 102.5 | 37.9 | -28.7 | 0 | 0 | 0 | 115.3 | |||||
| 1707 | S | 22.8 | Very low | 27.7 | Very low | 88 Ų | 88 | 127 Ų | 127 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | trans | -95.6 | 161.4 | 163.6 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1708 | L | 22.8 | Very low | 27.5 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | 64.6 | 134.6 | 162.2 | -60.2 | 153.4 | 0 | 0 | 0 | 114.3 | ||||
| 1709 | T | 27.6 | Very low | 27.4 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | -160.9 | 154.8 | 51.8 | 44.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1710 | A | 23.4 | Very low | 27.2 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | -58.8 | -170.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1711 | P | 35.2 | Very low | 27.1 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -142.9 | -162.7 | -4.4 | 39.1 | -17.5 | 0 | 0 | 0 | 115.8 | ||||
| 1712 | T | 26.2 | Very low | 26.9 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 82.6 | 113.9 | 147.1 | 44.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 1713 | N | 24.3 | Very low | 26.7 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | 94.9 | 141.9 | 122.3 | -72 | -5.5 | 0 | 0 | 0 | 123 | |||||
| 1714 | I | 28.7 | Very low | 26.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 87.2 | 86.8 | 155.4 | -63.8 | 149.2 | 0 | 0 | 0 | 118.5 | ||||
| 1715 | S | 25.4 | Very low | 26.4 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | 60.8 | 133.8 | 126.6 | 78.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1716 | N | 25.4 | Very low | 26.1 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 81.1 | 139.9 | 138.6 | -64.8 | -0.5 | 0 | 0 | 0 | 121.9 | ||||
| 1717 | A | 27 | Very low | 25.8 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | 75.2 | 104.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1718 | D | 24.2 | Very low | 25.9 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | 80.7 | 143.6 | 121.9 | -57.4 | -23.2 | 0 | 0 | 0 | 124.1 | |||||
| 1719 | E | 26.6 | Very low | 26.1 | Very low | 191 Ų | 191 | 137 Ų | 137 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | 73.7 | 147 | 161.7 | -70.6 | -170.4 | 163.1 | 0 | 0 | 122.4 | ||||
| 1720 | H | 24.7 | Very low | 26 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -97.6 | 139.4 | -170.8 | -61.4 | -97 | 0 | 0 | 0 | 111.8 | ||||
| 1721 | I | 27.1 | Very low | 26.1 | Very low | 172 Ų | 172 | 143 Ų | 143 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -129.6 | 118.9 | 153.8 | -65.1 | -174.7 | 0 | 0 | 0 | 110.2 | ||||
| 1722 | Y | 22.5 | Very low | 25.6 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | -81.1 | 144.4 | 163.4 | -126.3 | -102.5 | 0 | 0 | 0 | 108.7 | ||||
| 1723 | M | 24 | Very low | 25.6 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -172.8 | 128.8 | 137.8 | -101.2 | -50.3 | 101.4 | 0 | 0 | 114.1 | ||||
| 1724 | E | 22.5 | Very low | 25.8 | Very low | 136 Ų | 136 | 144 Ų | 144 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | 8.6 | 158.3 | 145.3 | -63.4 | -171.9 | 165.8 | 0 | 0 | 123.1 | ||||
| 1725 | P | 29.1 | Very low | 25.7 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | -128.6 | 122.3 | 91.9 | 36 | -28.9 | 0 | 0 | 0 | 116.3 | |||||
| 1726 | V | 28.7 | Very low | 25.8 | Very low | 104 Ų | 104 | 149 Ų | 149 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | 44.8 | 103.2 | 114.7 | -175.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1727 | D | 23.5 | Very low | 25.8 | Very low | 150 Ų | 150 | 152 Ų | 152 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 56.7 | 149.1 | 133.2 | -88.1 | -44.1 | 0 | 0 | 0 | 125.8 | ||||
| 1728 | C | 25.5 | Very low | 25.7 | Very low | 106 Ų | 106 | 155 Ų | 155 | 72% | 0.716 | 78% | 0.784 | S | S | * | * | trans | 69.5 | 93.1 | 150.7 | -75.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1729 | L | 27.3 | Very low | 25.9 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | 171.7 | 134 | 95.1 | -91.6 | 164 | 0 | 0 | 0 | 116.3 | |||||
| 1730 | T | 25.2 | Very low | 25.7 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | 18 | 132.2 | 151 | 50.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1731 | Y | 24.7 | Very low | 25.7 | Very low | 233 Ų | 233 | 148 Ų | 148 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | trans | 34.6 | 109.9 | 136.2 | -83.3 | -90.3 | 0 | 0 | 0 | 120 | ||||
| 1732 | G | 24.9 | Very low | 25.7 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 179.9 | 142.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1733 | C | 27.3 | Very low | 25.8 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 89% | 0.892 | 76% | 0.76 | S | S | * | * | trans | 52 | 115.6 | 161.2 | -57.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1734 | L | 28.2 | Very low | 25.8 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -141.4 | 62.4 | 147.6 | -127.8 | 179.9 | 0 | 0 | 0 | 110.5 | ||||
| 1735 | E | 26.7 | Very low | 25.9 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -110.5 | 136.6 | 161.5 | -155.6 | -165.1 | -97.6 | 0 | 0 | 107.7 | ||||
| 1736 | R | 27.7 | Very low | 25.7 | Very low | 193 Ų | 193 | 149 Ų | 149 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | 63.7 | 100.6 | 178.4 | -49.7 | 179.1 | -163.2 | -150 | -2.1 | 116.3 | H1738 | R1736-H1738 HydrophobicContact CB-CB 4.33Š| ||
| 1737 | Y | 25.7 | Very low | 25.4 | Very low | 215 Ų | 215 | 152 Ų | 152 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | -83.7 | 101.3 | 122.1 | -105 | -89 | 0 | 0 | 0 | 107.9 | I1739 | Y1737-I1739 HydrophobicContact CE1-CD1 4.35Š| |||
| 1738 | H | 24.3 | Very low | 25.5 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 68% | 0.676 | 76% | 0.764 | S | S | * | * | trans | -132.6 | 97.9 | 161.8 | -124.7 | -53.5 | 0 | 0 | 0 | 105.6 | R1736 | R1736-H1738 HydrophobicContact CB-CB 4.33Š| ||
| 1739 | I | 27.5 | Very low | 25.4 | Very low | 144 Ų | 144 | 153 Ų | 153 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -84.9 | 129.4 | 163.6 | -65.2 | -179.6 | 0 | 0 | 0 | 106.4 | Y1737 | Y1737-I1739 HydrophobicContact CE1-CD1 4.35Š| ||
| 1740 | I | 22.2 | Very low | 25.2 | Very low | 134 Ų | 134 | 152 Ų | 152 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | -114.1 | 121.3 | -177.2 | -64.8 | 164.5 | 0 | 0 | 0 | 106 | ||||
| 1741 | P | 26.4 | Very low | 25.2 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | -141.5 | 160.4 | 111.9 | 38.4 | -26.5 | 0 | 0 | 0 | 112.3 | |||||
| 1742 | Q | 26.6 | Very low | 25.1 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | cis | -160.8 | 159.7 | -20.8 | -112 | 175.5 | -3.8 | 0 | 0 | 104.8 | F1744 | Q1742-F1744 PolarHBondContact O-N 2.69Š| ||
| 1743 | K | 24 | Very low | 25.1 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -70.3 | 131.4 | 168.8 | -64.2 | 179.7 | 179.7 | -177.1 | 0 | 109.2 | ||||
| 1744 | F | 24.9 | Very low | 24.9 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 91% | 0.912 | 74% | 0.737 | S | S | * | * | -149.4 | 107.4 | 125.5 | -109.2 | -74.1 | 0 | 0 | 0 | 109.8 | Q1742 | Q1742-F1744 PolarHBondContact O-N 2.69Š| |||
| 1745 | T | 24.2 | Very low | 24.8 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | trans | -64.7 | 140.2 | 157.9 | 36.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1746 | D | 23.9 | Very low | 24.8 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | trans | 52.3 | 130.5 | 147.2 | -37.2 | -33.2 | 0 | 0 | 0 | 117.4 | ||||
| 1747 | F | 24 | Very low | 24.9 | Very low | 166 Ų | 166 | 139 Ų | 139 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | -156.1 | 146.8 | 58.8 | -116.9 | -101 | 0 | 0 | 0 | 112.8 | |||||
| 1748 | Y | 24.3 | Very low | 25 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | trans | 54.3 | 110.5 | 142.5 | -92.9 | -128.9 | 0 | 0 | 0 | 120.8 | ||||
| 1749 | T | 23.7 | Very low | 25 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 58% | 0.583 | 72% | 0.717 | S | S | * | * | 53.2 | 134.5 | 118.3 | 68.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 1750 | N | 23.8 | Very low | 25.1 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | 80.8 | 115.9 | 133.2 | -71.9 | -0.1 | 0 | 0 | 0 | 119.4 | ||||
| 1751 | L | 23.7 | Very low | 25.4 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | 73.2 | 117.9 | 134 | -87.3 | 64.4 | 0 | 0 | 0 | 116.7 | ||||
| 1752 | S | 23.9 | Very low | 25.5 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | 46.9 | 126.3 | 111.6 | -46.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1753 | N | 24.4 | Very low | 25.5 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | -161.4 | 134.7 | 84 | -107.5 | -45.9 | 0 | 0 | 0 | 116.4 | |||||
| 1754 | S | 23.6 | Very low | 25.7 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | trans | 75 | 168.2 | 130.8 | 83.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1755 | S | 25.4 | Very low | 25.9 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | cis | -148.5 | 142.9 | 13.2 | 62.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1756 | A | 26.1 | Very low | 26 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | trans | 68.3 | 165.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1757 | V | 29.3 | Very low | 26 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 78% | 0.782 | 66% | 0.664 | S | S | * | * | cis | -132.4 | 119.1 | 17.1 | 168.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1758 | V | 27.9 | Very low | 26 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | 66.2 | 137.5 | 80.6 | 159 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1759 | S | 25.1 | Very low | 26.2 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | cis | -172.1 | 164.1 | -17.9 | -84.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1760 | N | 28.9 | Very low | 26.2 | Very low | 135 Ų | 135 | 116.1 Ų | 116.1 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | 150.1 | 133.3 | 122.4 | -83.2 | -53.7 | 0 | 0 | 0 | 116.5 | |||||
| 1761 | K | 29 | Very low | 26.3 | Very low | 166 Ų | 166 | 117.4 Ų | 117.4 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | 67.4 | 141 | 137.6 | -68.5 | 171.8 | 171.9 | -92.6 | 0 | 119.3 | ||||
| 1762 | Q | 28.4 | Very low | 26.4 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | cis | -155.3 | 159.4 | -4.3 | -138.2 | 163.6 | -98.2 | 0 | 0 | 112.4 | ||||
| 1763 | E | 27.8 | Very low | 26.7 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 62% | 0.621 | 68% | 0.683 | S | S | * | * | trans | 70.1 | 156.1 | 167.1 | -75 | 139.5 | -111.7 | 0 | 0 | 117.6 | ||||
| 1764 | F | 28.5 | Very low | 26.8 | Very low | 164 Ų | 164 | 119.9 Ų | 119.9 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | cis | -144.8 | 149.8 | 0.2 | -124.7 | -51.7 | 0 | 0 | 0 | 112.2 | ||||
| 1765 | N | 27.3 | Very low | 27 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | trans | -8.9 | 155.4 | 160.6 | -64.4 | 23.1 | 0 | 0 | 0 | 121.7 | ||||
| 1766 | N | 27.7 | Very low | 27 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 51% | 0.508 | 70% | 0.697 | S | S | . | * | cis | -161.1 | 131.1 | -5.9 | -110.6 | 8.8 | 0 | 0 | 0 | 115.1 | ||||
| 1767 | S | 24 | Very low | 26.9 | Very low | 65 Ų | 65 | 122.4 Ų | 122.4 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | 38.9 | 123.2 | 129.4 | 70.3 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1768 | T | 24.3 | Very low | 26.7 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | 58.5 | 142.2 | 129.1 | 61.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1769 | S | 28.5 | Very low | 26.6 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -151.1 | 146.6 | 148.6 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1770 | S | 23.2 | Very low | 26.6 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | trans | -155.7 | 176.9 | 171.9 | 65.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1771 | I | 26.3 | Very low | 26.6 | Very low | 160 Ų | 160 | 121.6 Ų | 121.6 | 82% | 0.821 | 70% | 0.701 | S | S | * | * | trans | 84.1 | 158.2 | 170 | -59.1 | 169.1 | 0 | 0 | 0 | 116.9 | ||||
| 1772 | H | 25.1 | Very low | 26.4 | Very low | 176 Ų | 176 | 119.2 Ų | 119.2 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | trans | -65.1 | 165.8 | -158.4 | -81.1 | -107.2 | 0 | 0 | 0 | 119.5 | ||||
| 1773 | P | 30.7 | Very low | 26.3 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 66% | 0.662 | 71% | 0.711 | S | S | * | * | trans | -91.4 | 175.2 | 173.9 | 38.5 | -37.4 | 0 | 0 | 0 | 115.1 | ||||
| 1774 | T | 25.6 | Very low | 26.2 | Very low | 148 Ų | 148 | 118.8 Ų | 118.8 | 91% | 0.908 | 72% | 0.715 | S | S | * | * | trans | 73.7 | 129 | -178.2 | 73.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1775 | G | 27.4 | Very low | 26.1 | Very low | 72 Ų | 72 | 117.5 Ų | 117.5 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | cis | 178.1 | -173.3 | -3.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1776 | V | 25.3 | Very low | 26 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | cis | -173.3 | 158.5 | -13 | 117.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1777 | V | 24.8 | Very low | 26 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | 72 | 143.2 | 168.9 | 135.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1778 | T | 26.1 | Very low | 26 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | cis | -151 | 150 | 15.4 | -11.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1779 | S | 24.6 | Very low | 26.1 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | 65 | 146.8 | 142.6 | 76.7 | 0 | 0 | 0 | 0 | 120.9 | Q1022 | Q1022-S1779 PolarHBondContact NE2-O 3.08Š| ||
| 1780 | S | 25.4 | Very low | 26.1 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | cis | -153.8 | -178.2 | 9.6 | 69.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1781 | N | 28.2 | Very low | 26.2 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | 92.6 | 99 | 162.9 | -64.9 | 10.7 | 0 | 0 | 0 | 118.8 | ||||
| 1782 | V | 25 | Very low | 26.2 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | -83.6 | 141.8 | 172.9 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | N1784 | V1782-N1784 HydrophobicContact CG1-CB 3.68Š| ||
| 1783 | S | 27.4 | Very low | 26.3 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -146.4 | 123.1 | 137 | 59.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1784 | N | 25.3 | Very low | 26 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | 62.3 | 75.5 | 29.3 | -70 | 14.1 | 0 | 0 | 0 | 114.7 | V1782 | V1782-N1784 HydrophobicContact CG1-CB 3.68Š| ||
| 1785 | N | 26.3 | Very low | 26.1 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | -128 | 152.2 | 112.7 | -77.6 | -59.9 | 0 | 0 | 0 | 106.1 | |||||
| 1786 | W | 24.9 | Very low | 25.9 | Very low | 259 Ų | 259 | 146.7 Ų | 146.7 | 98% | 0.981 | 77% | 0.769 | S | S | * | * | S | Bend | cis | -104.2 | 165.3 | 22.1 | -64.8 | 9.2 | 0 | 0 | 0 | 114.3 | ||
| 1787 | T | 28.7 | Very low | 26.1 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -94.5 | 157.3 | -171.7 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1788 | E | 22.7 | Very low | 26.2 | Very low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -68.4 | 167 | 163.1 | -60.9 | 170.8 | 101.7 | 0 | 0 | 111.9 | ||||
| 1789 | N | 27.5 | Very low | 26.1 | Very low | 140 Ų | 140 | 161.1 Ų | 161.1 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | -170.5 | 143.4 | 117.4 | -106.6 | 33.3 | 0 | 0 | 0 | 113.9 | |||||
| 1790 | D | 28.3 | Very low | 26.2 | Very low | 127 Ų | 127 | 161.3 Ų | 161.3 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | trans | 64.4 | 101.4 | 148.9 | -63.4 | -46.3 | 0 | 0 | 0 | 123.9 | ||||
| 1791 | V | 25.1 | Very low | 26.1 | Very low | 138 Ų | 138 | 165.9 Ų | 165.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | 59.5 | 118.6 | 113.6 | 178.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1792 | G | 25.7 | Very low | 25.9 | Very low | 63 Ų | 63 | 163.3 Ų | 163.3 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | 90.5 | 116.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1793 | Y | 28 | Very low | 26.1 | Very low | 231 Ų | 231 | 164.1 Ų | 164.1 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | -168 | 155.3 | 69.2 | -114.5 | -93.3 | 0 | 0 | 0 | 112.1 | |||||
| 1794 | R | 23.9 | Very low | 26.3 | Very low | 232 Ų | 232 | 164.2 Ų | 164.2 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -69.9 | 136 | 161.1 | -67.1 | -179.6 | 178.4 | -176 | -0.1 | 110.1 | ||||
| 1795 | R | 28.1 | Very low | 26.4 | Very low | 228 Ų | 228 | 167.9 Ų | 167.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -163.5 | 114.8 | 134.7 | -111.6 | 166.5 | -168.2 | -169.7 | 3.7 | 114.2 | ||||
| 1796 | E | 23.5 | Very low | 26.5 | Very low | 152 Ų | 152 | 165.1 Ų | 165.1 | 71% | 0.71 | 81% | 0.809 | S | S | * | * | trans | 8 | 127.3 | 137.5 | -63.4 | 155.9 | -173 | 0 | 0 | 117.7 | Y1798 | E1796-Y1798 HydrophobicContact CB-CD2 4.47Š| ||
| 1797 | R | 28.3 | Very low | 26.5 | Very low | 249 Ų | 249 | 158.6 Ų | 158.6 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -111.5 | 97.2 | 152.2 | -94.7 | -170 | -85.6 | -177.9 | -6.6 | 110.7 | ||||
| 1798 | Y | 27 | Very low | 26.5 | Very low | 199 Ų | 199 | 158.5 Ų | 158.5 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -50.1 | 146.1 | 164.8 | -92.9 | -107.2 | 0 | 0 | 0 | 111.5 | E1796 | E1796-Y1798 HydrophobicContact CB-CD2 4.47Š| ||
| 1799 | R | 23.8 | Very low | 26.7 | Very low | 230 Ų | 230 | 158.1 Ų | 158.1 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -102.1 | 129.7 | 160.3 | -79 | -171.5 | 173.3 | -155.1 | 1.6 | 109.5 | ||||
| 1800 | S | 26.8 | Very low | 26.8 | Very low | 100 Ų | 100 | 157.1 Ų | 157.1 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -151.6 | 127.2 | 162.1 | 47.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1801 | F | 24.4 | Very low | 26.8 | Very low | 180 Ų | 180 | 158.8 Ų | 158.8 | 79% | 0.789 | 82% | 0.817 | S | S | * | * | trans | 18.9 | 121.9 | 149.9 | -58.1 | -82.4 | 0 | 0 | 0 | 119.3 | ||||
| 1802 | S | 24.2 | Very low | 26.8 | Very low | 103 Ų | 103 | 158.3 Ų | 158.3 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | 67.6 | 134.2 | 94.2 | -49.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1803 | T | 28.6 | Very low | 26.9 | Very low | 134 Ų | 134 | 159.9 Ų | 159.9 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | cis | -148.6 | 169.3 | 33.4 | 43.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1804 | P | 31.7 | Very low | 27 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -109.7 | 124.4 | 177.8 | 36.8 | -26.3 | 0 | 0 | 0 | 115.5 | ||||
| 1805 | E | 26.3 | Very low | 27.2 | Very low | 208 Ų | 208 | 151 Ų | 151 | 97% | 0.972 | 79% | 0.792 | S | S | * | * | trans | -173.7 | 148.5 | 164.7 | -103.8 | 163.2 | -139.4 | 0 | 0 | 105.9 | ||||
| 1806 | G | 28.3 | Very low | 27.3 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | cis | -156.3 | -173.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1807 | S | 26.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -125.1 | 147.9 | -161 | 59.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1808 | S | 28.4 | Very low | 27.7 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -156.4 | 159.6 | 158.7 | 58.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1809 | L | 27 | Very low | 27.8 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -125.1 | 151.6 | 175.1 | -64.4 | 85.6 | 0 | 0 | 0 | 110.5 | ||||
| 1810 | S | 28.6 | Very low | 28.1 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -168.6 | 145.3 | 136.9 | 57.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1811 | H | 28.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | trans | -58.9 | 176.6 | 161.5 | -85.2 | -101 | 0 | 0 | 0 | 113.6 | ||||
| 1812 | D | 25.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | cis | -161.9 | 171.2 | 6.3 | -126.2 | -21.9 | 0 | 0 | 0 | 112.9 | ||||
| 1813 | S | 28.3 | Very low | 28.4 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 66.8 | 153.1 | 151.5 | 74.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1814 | N | 29.1 | Very low | 28.5 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | cis | -167.1 | 169.1 | -10.1 | -111.7 | 28.2 | 0 | 0 | 0 | 107.2 | ||||
| 1815 | E | 28.8 | Very low | 28.5 | Very low | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.673 | 79% | 0.79 | S | S | * | * | cis | -159.6 | 167.4 | -4.4 | -141.9 | 176.1 | 124.7 | 0 | 0 | 110.4 | ||||
| 1816 | T | 30.6 | Very low | 28.6 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | 63.3 | 148.5 | 159.6 | 63.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1817 | Q | 29.3 | Very low | 28.6 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | cis | -153.7 | 149.4 | 1.6 | -132.5 | 172 | 27 | 0 | 0 | 111.2 | ||||
| 1818 | Y | 30.2 | Very low | 28.6 | Very low | 208 Ų | 208 | 121.3 Ų | 121.3 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | 51.9 | 120 | 171.2 | -53.8 | -72.9 | 0 | 0 | 0 | 117.7 | ||||
| 1819 | G | 28 | Very low | 28.5 | Very low | 82 Ų | 82 | 121.8 Ų | 121.8 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | cis | 108.7 | 122.5 | 7.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1820 | G | 30.7 | Very low | 28.5 | Very low | 88 Ų | 88 | 120 Ų | 120 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | cis | 139.5 | 129.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1821 | G | 28.4 | Very low | 28.3 | Very low | 74 Ų | 74 | 120.3 Ų | 120.3 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | cis | -169.9 | 153.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1822 | P | 29.2 | Very low | 28.2 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | -102.8 | 172.1 | -173.5 | 39.5 | -35.6 | 0 | 0 | 0 | 115.3 | ||||
| 1823 | S | 25.1 | Very low | 28.4 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -73.7 | 150.8 | 174.9 | 54.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1824 | V | 31 | Very low | 28.4 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 92% | 0.915 | 75% | 0.752 | S | S | * | * | trans | -158.7 | 152.7 | 137.6 | 174.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1825 | G | 30.3 | Very low | 28.3 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 141.3 | 46.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1826 | S | 29.7 | Very low | 28.2 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | 39.1 | 132.7 | 141.2 | -49.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1827 | S | 28.2 | Very low | 28 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 60.9 | 102.8 | 138.1 | 61 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1828 | S | 24.8 | Very low | 27.8 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | 21.6 | 140.6 | 110.7 | 55.1 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1829 | N | 27.6 | Very low | 27.8 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -170.5 | 149.6 | 43.3 | -119.2 | -15.1 | 0 | 0 | 0 | 114.1 | ||||
| 1830 | I | 26.3 | Very low | 27.6 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | trans | 47.5 | 131.2 | 132.1 | -64.5 | 172 | 0 | 0 | 0 | 119.9 | ||||
| 1831 | N | 24.4 | Very low | 27.5 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | cis | -170.3 | -178 | -11.4 | -109.9 | -17.7 | 0 | 0 | 0 | 111.5 | ||||
| 1832 | F | 26.7 | Very low | 27.4 | Very low | 192 Ų | 192 | 128.3 Ų | 128.3 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | trans | 79.5 | 88.7 | 163.6 | -62.8 | -75.1 | 0 | 0 | 0 | 119.9 | ||||
| 1833 | P | 29.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -93.8 | 156.2 | 152.5 | 36.4 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 1834 | R | 29.7 | Very low | 28 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 60% | 0.596 | 74% | 0.739 | S | S | * | * | trans | -132.1 | 104.1 | 171 | -157.3 | 179.2 | -161.2 | 174.9 | 6.6 | 110.9 | N1286 | N1286-R1834 PolarHBondContact O-NH1 3Š| ||
| 1835 | N | 26.1 | Very low | 28 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | 37.8 | 111.7 | 146.9 | -76.1 | 8.3 | 0 | 0 | 0 | 119.5 | ||||
| 1836 | I | 26.8 | Very low | 27.9 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | 164.6 | 145.9 | 90.6 | -100.3 | 154.9 | 0 | 0 | 0 | 114.9 | |||||
| 1837 | F | 26.4 | Very low | 27.8 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 55.5 | 116.5 | 166.6 | -71.4 | -48.9 | 0 | 0 | 0 | 122.8 | ||||
| 1838 | Q | 25.8 | Very low | 27.9 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | 35.9 | 143.5 | 114.2 | -79.2 | -175.3 | -4.8 | 0 | 0 | 120.5 | |||||
| 1839 | P | 29.5 | Very low | 27.9 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | -150.5 | 173 | 54.4 | 40.8 | -20.1 | 0 | 0 | 0 | 120.5 | |||||
| 1840 | F | 24.5 | Very low | 28 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | trans | -15.9 | 157.2 | 149 | -57.8 | -88.6 | 0 | 0 | 0 | 119.1 | ||||
| 1841 | S | 27 | Very low | 27.9 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | cis | -177 | 151 | -10 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1842 | G | 26.7 | Very low | 28 | Very low | 65 Ų | 65 | 146.3 Ų | 146.3 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | 175.7 | 156.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1843 | N | 30 | Very low | 28.1 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | cis | -138.4 | 162 | 18.8 | -71.8 | -27.2 | 0 | 0 | 0 | 113.6 | ||||
| 1844 | P | 37.8 | Very low | 28 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -115.5 | 172.6 | 178.9 | 42.3 | -33.8 | 0 | 0 | 0 | 115.1 | ||||
| 1845 | I | 29.5 | Very low | 27.8 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -177.6 | 110.8 | 146.3 | -97 | 150.7 | 0 | 0 | 0 | 107.6 | ||||
| 1846 | H | 28.5 | Very low | 27.8 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 68% | 0.676 | 77% | 0.767 | S | S | * | * | 68.6 | 131.9 | 90.7 | -90.1 | -113.3 | 0 | 0 | 0 | 114.9 | |||||
| 1847 | F | 29.2 | Very low | 27.7 | Very low | 166 Ų | 166 | 142 Ų | 142 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | -151.7 | 149.5 | 53.7 | -100.2 | -107.5 | 0 | 0 | 0 | 116 | |||||
| 1848 | R | 29.5 | Very low | 27.6 | Very low | 214 Ų | 214 | 139.5 Ų | 139.5 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | 23.7 | 160 | 127.7 | -74.5 | -175.5 | 179.5 | -179.1 | 1.2 | 122 | |||||
| 1849 | S | 24.6 | Very low | 27.6 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -172 | 160.7 | -7.6 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1850 | V | 29.4 | Very low | 27.5 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | 178.6 | 163.9 | 95.4 | 160 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1851 | R | 25.4 | Very low | 27.8 | Very low | 234 Ų | 234 | 138.4 Ų | 138.4 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -112.3 | 173.9 | -172.7 | -69.8 | 172.5 | 161.2 | 171 | -7.4 | 114.5 | ||||
| 1852 | S | 25.9 | Very low | 27.8 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 83.7 | 152 | 155.9 | -133.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1853 | S | 29 | Very low | 28.4 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | -147.1 | -173.4 | 15.8 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1854 | H | 25.9 | Very low | 28.2 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -87.4 | 153.9 | 179.7 | -63.3 | -118.5 | 0 | 0 | 0 | 113.4 | ||||
| 1855 | L | 26.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | 174 | 166.4 | 107.4 | -95.8 | 170.7 | 0 | 0 | 0 | 115.6 | |||||
| 1856 | N | 24.7 | Very low | 27.4 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -52.5 | 156.2 | -173.3 | -54.2 | -19.4 | 0 | 0 | 0 | 117.7 | ||||
| 1857 | G | 25.5 | Very low | 27.2 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -179 | 123.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1858 | S | 25.3 | Very low | 26.9 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -65 | 157.7 | 174.5 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1859 | S | 25.1 | Very low | 26.7 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | 178.5 | 175.2 | 52.8 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1860 | N | 26.9 | Very low | 26.6 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | 75.7 | 138 | 149.6 | -64.9 | -20.6 | 0 | 0 | 0 | 121.1 | ||||
| 1861 | I | 31.4 | Very low | 26.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | trans | 60.3 | 91.6 | 163.6 | -55.4 | 165.8 | 0 | 0 | 0 | 114.7 | ||||
| 1862 | S | 26.6 | Very low | 26.2 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -132.8 | 172.9 | 168.3 | 77.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1863 | P | 40.1 | Very low | 26.4 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | -139.8 | -156.2 | -95.4 | 35.7 | -13.5 | 0 | 0 | 0 | 113 | |||||
| 1864 | L | 26.2 | Very low | 26.2 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 70.3 | 175.2 | 162.1 | -66.8 | 166.1 | 0 | 0 | 0 | 113.2 | ||||
| 1865 | K | 25.6 | Very low | 26.3 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | cis | -156.6 | 166.8 | 19.7 | -148.6 | 154.9 | -173.6 | 175.4 | 0 | 109.6 | R1867 | K1865-R1867 PolarHBondContact O-N 2.92Š| ||
| 1866 | T | 23.9 | Very low | 26.4 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -64.7 | 100.4 | 153.4 | 28.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1867 | R | 23.9 | Very low | 26.7 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 53% | 0.525 | 72% | 0.723 | S | S | . | * | trans | -98.4 | 133.3 | 164.2 | -162 | -156.9 | -172.1 | 133.5 | 8.3 | 108.3 | Q1391 K1865 H1869 | Q1391-R1867 VanDerWaalsContact OE1-CZ 3.28Å; K1865-R1867 PolarHBondContact O-N 2.92Å; R1867-H1869 PolarHBondContact NE-CD2 3.33Å | ||
| 1868 | I | 22.9 | Very low | 26.6 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | trans | -70.2 | 125 | 163.3 | -63.6 | 164.3 | 0 | 0 | 0 | 107.8 | ||||
| 1869 | H | 25.3 | Very low | 26.8 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 43% | 0.431 | 69% | 0.694 | S | S | . | * | trans | -169.2 | 115.5 | 139.1 | -76.8 | -42 | 0 | 0 | 0 | 105.8 | R1867 | R1867-H1869 PolarHBondContact NE-CD2 3.33Š| ||
| 1870 | S | 22.1 | Very low | 26.8 | Very low | 72 Ų | 72 | 127.1 Ų | 127.1 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | 83.4 | 113.2 | 64.6 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1871 | T | 23.4 | Very low | 26.7 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 64% | 0.644 | 70% | 0.699 | S | S | * | * | trans | 51.3 | 135 | 136.5 | 52.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1872 | D | 24.1 | Very low | 26.4 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 69% | 0.691 | S | S | * | * | cis | -152.5 | 154.3 | 10.4 | -92.9 | -39.8 | 0 | 0 | 0 | 112.5 | ||||
| 1873 | A | 29 | Very low | 26.3 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | trans | -154.2 | 108.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1874 | V | 24.5 | Very low | 25.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 69% | 0.685 | S | S | * | * | trans | -50.7 | 133.5 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1875 | F | 29.8 | Very low | 25.3 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | 175.8 | 145.5 | 117.6 | -105.9 | -85 | 0 | 0 | 0 | 112.9 | |||||
| 1876 | E | 28.6 | Very low | 25.3 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | 23.3 | 152.7 | 147.7 | -78.5 | -178.3 | 155.9 | 0 | 0 | 123.7 | ||||
| 1877 | S | 31 | Very low | 25.1 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | cis | -158 | -137.4 | -5.8 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1878 | L | 24 | Very low | 25.2 | Very low | 64 Ų | 64 | 122.4 Ų | 122.4 | 34% | 0.335 | 69% | 0.685 | S | S | . | * | trans | -143.4 | 146.1 | -171.8 | -59.2 | 97.5 | 0 | 0 | 0 | 111.6 | P2167 K2168 | L1878-P2167 HydrophobicContact CB-CG 3.87Å; L1878-P2167 HydrophobicContact CD2-CB 4.26Å; L1878-P2167 HydrophobicContact CD2-CG 3.66Å; L1878-P2167 HydrophobicContact CG-CG 4.31Å; L1878-K2168 HydrophobicContact CD2-CB 3.52Å; L1878-K2168 HydrophobicContact CD2-CD 3.34Å; L1878-K2168 VanDerWaalsContact CD2-CE 3.45Å; L1878-K2168 HydrophobicContact CD2-CG 3.37Å | ||
| 1879 | T | 27.7 | Very low | 25.3 | Very low | 110 Ų | 110 | 119 Ų | 119 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | 179.5 | 176 | 106.9 | 27.7 | 0 | 0 | 0 | 0 | 112.8 | P2167 | T1879-P2167 HydrophobicContact CG2-CG 3.68Š| |||
| 1880 | H | 25.3 | Very low | 25.3 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 62% | 0.616 | 70% | 0.699 | S | S | * | * | trans | -51.9 | 162.2 | 167.4 | -47.7 | -106.1 | 0 | 0 | 0 | 111.8 | ||||
| 1881 | Y | 24.7 | Very low | 25.5 | Very low | 215 Ų | 215 | 122.4 Ų | 122.4 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | cis | -140.1 | 158.8 | 21.7 | -90.8 | -99.8 | 0 | 0 | 0 | 110.5 | ||||
| 1882 | N | 25.2 | Very low | 25.7 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | -141.1 | 142.2 | 154.8 | -122.5 | -5.9 | 0 | 0 | 0 | 113 | R261 | R261-N1882 PolarHBondContact NH2-OD1 2.85Š| ||
| 1883 | T | 25.5 | Very low | 25.8 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 54% | 0.54 | 72% | 0.717 | S | S | . | * | trans | -64.7 | 146.6 | 175.7 | 38.3 | 0 | 0 | 0 | 0 | 112.9 | R261 | R261-T1883 PolarHBondContact NH1-OG1 3.24Š| ||
| 1884 | S | 23.2 | Very low | 25.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | trans | 35.4 | 85.1 | 148.9 | 60.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1885 | V | 22.6 | Very low | 25.6 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 76% | 0.758 | 71% | 0.714 | S | S | * | * | trans | -97 | 113.2 | 156.3 | 174.9 | 0 | 0 | 0 | 0 | 107.7 | S1887 | V1885-S1887 VanDerWaalsContact CG1-OG 3.24Å; V1885-S1887 WeakPolarHBondContact CG1-OG 3.22Å | ||
| 1886 | I | 23.8 | Very low | 25.4 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | trans | -86.1 | 121.9 | 160.5 | -70.9 | 177.6 | 0 | 0 | 0 | 106.7 | ||||
| 1887 | S | 21.5 | Very low | 25.5 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | -148.2 | 87.9 | 171.7 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | V1885 | V1885-S1887 VanDerWaalsContact CG1-OG 3.24Å; V1885-S1887 WeakPolarHBondContact CG1-OG 3.22Å | ||
| 1888 | P | 25 | Very low | 25.2 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -70.8 | 143.4 | 163.8 | 31.8 | -33.2 | 0 | 0 | 0 | 109.6 | ||||
| 1889 | A | 25.3 | Very low | 25.4 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 58% | 0.579 | 74% | 0.736 | S | S | * | * | trans | 49.5 | 122.6 | 161 | 0 | 0 | 0 | 0 | 0 | 119.6 | T1891 | A1889-T1891 HydrophobicContact CB-CG2 3.95Å; A1889-T1891 WeakPolarHBondContact O-CB 3.3Å; A1889-T1891 WeakPolarHBondContact O-CG2 3.33Å; A1889-T1891 PolarHBondContact O-OG1 2.97Å | ||
| 1890 | S | 24.7 | Very low | 25.2 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -73.5 | 114.9 | 130.9 | -54 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1891 | T | 27.5 | Very low | 25.4 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | cis | 61.5 | 123.1 | 20.5 | 72.9 | 0 | 0 | 0 | 0 | 117.2 | A1889 | A1889-T1891 HydrophobicContact CB-CG2 3.95Å; A1889-T1891 WeakPolarHBondContact O-CB 3.3Å; A1889-T1891 WeakPolarHBondContact O-CG2 3.33Å; A1889-T1891 PolarHBondContact O-OG1 2.97Å | ||
| 1892 | T | 26.1 | Very low | 25.3 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | trans | -174 | 123.7 | 151.9 | 37 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 1893 | L | 27.5 | Very low | 25.2 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -162.1 | 150.9 | 14.9 | -90.5 | 151.8 | 0 | 0 | 0 | 106.6 | ||
| 1894 | S | 25.8 | Very low | 25.2 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | -154.1 | 161.3 | -1 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1895 | E | 23 | Very low | 25.2 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | -87.9 | -179.1 | 150.8 | -67.3 | 167.5 | 124.5 | 0 | 0 | 108 | ||||
| 1896 | D | 26.7 | Very low | 25.2 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | cis | -144.7 | 179.6 | 31.2 | -59.4 | -64.1 | 0 | 0 | 0 | 109.6 | ||||
| 1897 | L | 30.1 | Very low | 25.3 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | cis | -150.6 | 147 | 26.2 | -71.5 | 159.9 | 0 | 0 | 0 | 112.3 | ||||
| 1898 | N | 25.4 | Very low | 26 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | trans | 24.3 | 155.4 | 140.1 | -69.2 | 20.9 | 0 | 0 | 0 | 122.8 | ||||
| 1899 | E | 28.1 | Very low | 25.9 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | cis | -154.4 | -176.7 | 21.5 | -139.1 | 144.1 | -110.3 | 0 | 0 | 113.7 | ||||
| 1900 | N | 23.3 | Very low | 25.9 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | trans | -107.1 | 165.5 | -167 | -61.2 | -78.2 | 0 | 0 | 0 | 116.2 | ||||
| 1901 | V | 27.8 | Very low | 25.8 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | trans | -175.5 | 153.7 | 138.1 | 140.1 | 0 | 0 | 0 | 0 | 112.5 | F2222 | V1901-F2222 WeakPolarHBondContact O-CD1 3.38Å; V1901-F2222 WeakPolarHBondContact O-CD2 3.38Å; V1901-F2222 WeakPolarHBondContact O-CE1 3.5Å; V1901-F2222 WeakPolarHBondContact O-CE2 3.18Å; V1901-F2222 WeakPolarHBondContact O-CG 3.44Å; V1901-F2222 WeakPolarHBondContact O-CZ 3.4Å | ||
| 1902 | M | 24 | Very low | 25.7 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 59% | 0.591 | 73% | 0.734 | S | S | * | * | trans | -82.8 | -161.9 | -174.4 | -67.7 | -67.8 | -169.8 | 0 | 0 | 114 | V2223 | M1902-V2223 VanDerWaalsContact O-CG1 3.32Å; M1902-V2223 WeakPolarHBondContact O-CG1 3.27Å | ||
| 1903 | I | 23.7 | Very low | 25.8 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | cis | -153.6 | 145.5 | 14.5 | -47 | 161.3 | 0 | 0 | 0 | 112.3 | V2223 | I1903-V2223 VanDerWaalsContact C-CG2 3.49Å; I1903-V2223 WeakPolarHBondContact O-CG1 3.5Å; I1903-V2223 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1904 | S | 23.5 | Very low | 25.7 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | trans | -37.6 | 165.5 | 179.3 | -131.7 | 0 | 0 | 0 | 0 | 119.1 | N2224 | S1904-N2224 WeakPolarHBondContact O-CB 3.46Å; S1904-N2224 PolarHBondContact O-ND2 3.35Å | ||
| 1905 | D | 23.8 | Very low | 25.7 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 49% | 0.487 | 73% | 0.734 | S | S | . | * | 178 | 175.1 | 51.7 | -138.9 | 8.6 | 0 | 0 | 0 | 114.4 | N2224 | D1905-N2224 PolarHBondContact N-ND2 3.27Å; D1905-N2224 PolarHBondContact O-ND2 2.98Å | |||
| 1906 | K | 23.9 | Very low | 25.8 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -5.4 | 157.4 | 155.7 | -67.8 | 166.6 | -168.9 | 158.3 | 0 | 121 | ||||
| 1907 | F | 24.8 | Very low | 25.8 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | cis | -166.6 | -163 | -20.4 | -134.6 | -29.9 | 0 | 0 | 0 | 107.8 | ||||
| 1908 | P | 35.4 | Very low | 25.4 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 60% | 0.597 | 74% | 0.74 | S | S | * | * | trans | -127.7 | -177.2 | -133.4 | 46.1 | -29.7 | 0 | 0 | 0 | 119.8 | ||||
| 1909 | R | 24.6 | Very low | 25.6 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | 81.7 | 139.7 | 165.7 | -62.4 | 172.9 | -178.6 | 176 | 2.4 | 115.7 | ||||
| 1910 | F | 23.5 | Very low | 25.4 | Very low | 180 Ų | 180 | 142 Ų | 142 | 79% | 0.789 | 75% | 0.745 | S | S | * | * | cis | -116.5 | -146.1 | 2.4 | -97.7 | -57.9 | 0 | 0 | 0 | 110.8 | ||||
| 1911 | S | 24.2 | Very low | 25.6 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | cis | -156.3 | 170.6 | 14.9 | -57 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1912 | T | 24.5 | Very low | 25.5 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -64.8 | 143.9 | -178.1 | -48.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1913 | I | 28.4 | Very low | 25.7 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | -159.6 | 147.1 | 115 | -96.8 | 165.1 | 0 | 0 | 0 | 110.4 | |||||
| 1914 | R | 25.1 | Very low | 25.7 | Very low | 225 Ų | 225 | 147.4 Ų | 147.4 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | trans | -79 | 168.7 | 177.4 | -102.3 | 176.7 | 173.4 | 168.8 | -3.3 | 110.5 | ||||
| 1915 | A | 26.2 | Very low | 25.8 | Very low | 79 Ų | 79 | 150.3 Ų | 150.3 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | cis | -154.3 | 156.6 | 28.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1916 | Q | 24.3 | Very low | 25.8 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 33.4 | 105.3 | 137 | -62.9 | 173.9 | -12.7 | 0 | 0 | 120.8 | ||||
| 1917 | S | 26.6 | Very low | 25.9 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | -154.3 | 153.1 | 125.6 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | P1919 | S1917-P1919 WeakPolarHBondContact O-CD 3.49Š| |||
| 1918 | L | 23.4 | Very low | 25.8 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -80.3 | 131.3 | -165.9 | -71.3 | 74.1 | 0 | 0 | 0 | 113.5 | ||||
| 1919 | P | 27.7 | Very low | 25.3 | Very low | 115 Ų | 115 | 155.9 Ų | 155.9 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -103.4 | 109.7 | 158.5 | 33.8 | -23.8 | 0 | 0 | 0 | 110.9 | S1917 P1921 | S1917-P1919 WeakPolarHBondContact O-CD 3.49Å; P1919-P1921 VanDerWaalsContact O-CD 3.23Å; P1919-P1921 WeakPolarHBondContact O-CD 3.47Å | ||
| 1920 | N | 25.2 | Very low | 25.5 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 118.2 | 171.5 | -97.3 | -33.2 | 0 | 0 | 0 | 111.1 | ||||
| 1921 | P | 26.6 | Very low | 25.6 | Very low | 116 Ų | 116 | 156.6 Ų | 156.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -104 | 79 | -176.4 | 36.4 | -25.8 | 0 | 0 | 0 | 111.8 | P1919 | P1919-P1921 VanDerWaalsContact O-CD 3.23Å; P1919-P1921 WeakPolarHBondContact O-CD 3.47Å | ||
| 1922 | L | 26.9 | Very low | 25.9 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -137 | 134 | 169.5 | -67.8 | 175.2 | 0 | 0 | 0 | 110.2 | ||||
| 1923 | S | 27.4 | Very low | 26.1 | Very low | 100 Ų | 100 | 156.3 Ų | 156.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -155.8 | 144.1 | -16.5 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1924 | R | 23.2 | Very low | 25.9 | Very low | 253 Ų | 253 | 154 Ų | 154 | 96% | 0.955 | 77% | 0.77 | S | S | * | * | trans | -126.7 | 93.8 | 165.2 | -86.9 | -170.5 | 175.6 | -178.8 | 0.2 | 108.2 | ||||
| 1925 | L | 25.8 | Very low | 26.1 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -128.4 | 134.1 | 169.5 | -97.5 | 164.4 | 0 | 0 | 0 | 109.5 | H1927 | L1925-H1927 PolarHBondContact O-N 3.01Š| ||
| 1926 | H | 25.4 | Very low | 26 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -70.9 | 125.3 | 173.5 | -76.4 | -124.6 | 0 | 0 | 0 | 108.9 | ||||
| 1927 | H | 24.7 | Very low | 26.1 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | -113.3 | 106.9 | 165.2 | -84.6 | -84 | 0 | 0 | 0 | 110.5 | L1925 H1929 | L1925-H1927 PolarHBondContact O-N 3.01Å; H1927-H1929 PolarHBondContact O-N 2.83Å | ||
| 1928 | H | 23.7 | Very low | 26 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -62.4 | 114.2 | 157.9 | -96.2 | -99 | 0 | 0 | 0 | 108.4 | ||||
| 1929 | H | 25 | Very low | 26.2 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | trans | -97.4 | 110 | 162.9 | -89.7 | -93.3 | 0 | 0 | 0 | 109.5 | H1927 | H1927-H1929 PolarHBondContact O-N 2.83Š| ||
| 1930 | F | 28.4 | Very low | 26.2 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | trans | -132.2 | 98.5 | 152.7 | -93 | -61.9 | 0 | 0 | 0 | 109.9 | H1932 | F1930-H1932 AromaticContact CD1-CE1 3.34Å; F1930-H1932 WeakPolarHBondContact CD1-CE1 3.37Å; F1930-H1932 AromaticContact CD1-ND1 3.79Å; F1930-H1932 AromaticContact CD1-NE2 3.59Å; F1930-H1932 AromaticContact CE1-CE1 3.44Å; F1930-H1932 VanDerWaalsContact CE1-CE1 3.44Å; F1930-H1932 WeakPolarHBondContact CE1-CE1 3.25Å; F1930-H1932 AromaticContact CE1-NE2 3.65Å | ||
| 1931 | W | 26 | Very low | 26.3 | Very low | 246 Ų | 246 | 147.4 Ų | 147.4 | 93% | 0.932 | 70% | 0.703 | S | S | * | * | trans | -89.4 | 132.9 | 150.8 | -88.8 | 38.6 | 0 | 0 | 0 | 107.9 | ||||
| 1932 | H | 28.9 | Very low | 26.2 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | trans | -144 | 152.2 | 179.3 | -90.4 | 5.6 | 0 | 0 | 0 | 106.7 | F1930 | F1930-H1932 AromaticContact CD1-CE1 3.34Å; F1930-H1932 WeakPolarHBondContact CD1-CE1 3.37Å; F1930-H1932 AromaticContact CD1-ND1 3.79Å; F1930-H1932 AromaticContact CD1-NE2 3.59Å; F1930-H1932 AromaticContact CE1-CE1 3.44Å; F1930-H1932 VanDerWaalsContact CE1-CE1 3.44Å; F1930-H1932 WeakPolarHBondContact CE1-CE1 3.25Å; F1930-H1932 AromaticContact CE1-NE2 3.65Å | ||
| 1933 | H | 29.1 | Very low | 26.2 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 50% | 0.5 | 70% | 0.701 | S | S | . | * | cis | -159 | 152.9 | 21.9 | -125.4 | -55.3 | 0 | 0 | 0 | 110.3 | K1935 | H1933-K1935 WeakPolarHBondContact CB-O 3.35Å; H1933-K1935 PolarHBondContact CD2-O 3.18Å; H1933-K1935 VanDerWaalsContact CG-O 3.23Å | ||
| 1934 | P | 24.8 | Very low | 26.2 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -80.6 | 123.8 | 130.1 | 31.1 | -26.1 | 0 | 0 | 0 | 107.8 | ||
| 1935 | K | 28.2 | Very low | 26.3 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 89.8 | 65.7 | -158.9 | -57.2 | -177.4 | 177.8 | -171.6 | 0 | 114.5 | H1933 | H1933-K1935 WeakPolarHBondContact CB-O 3.35Å; H1933-K1935 PolarHBondContact CD2-O 3.18Å; H1933-K1935 VanDerWaalsContact CG-O 3.23Å |
| 1936 | C | 24.5 | Very low | 26.4 | Very low | 95 Ų | 95 | 147.8 Ų | 147.8 | 64% | 0.642 | 69% | 0.692 | S | S | * | * | trans | -68.5 | 131.5 | 165 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | H1938 | C1936-H1938 PolarHBondContact O-N 3.15Š| ||
| 1937 | P | 26.7 | Very low | 26.5 | Very low | 66 Ų | 66 | 145.4 Ų | 145.4 | 43% | 0.429 | 69% | 0.686 | S | S | . | * | trans | -73.6 | 100.8 | 163.7 | -15.3 | 31.6 | 0 | 0 | 0 | 110.8 | Y1266 A1267 N1268 | Y1266-P1937 CarbonylContact O-C 3.58Å; Y1266-P1937 WeakPolarHBondContact O-CA 3.42Å; Y1266-P1937 WeakPolarHBondContact O-CB 3.29Å; A1267-P1937 CarbonylContact C-O 3.28Å; N1268-P1937 PolarHBondContact N-O 3.13Å | ||
| 1938 | H | 25 | Very low | 26.8 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 52% | 0.523 | 69% | 0.688 | S | S | . | * | B | Isolated β-bridge | trans | -133.6 | 33.5 | 167.8 | -134.6 | 113.9 | 0 | 0 | 0 | 114.7 | Y1266 Q1269 C1936 | Y1266-H1938 CarbonylContact O-C 3.48Å; Y1266-H1938 PolarHBondContact O-N 2.58Å; Q1269-H1938 PolarHBondContact N-CE1 3.27Å; Q1269-H1938 PolarHBondContact N-NE2 3.43Å; Q1269-H1938 PolarHBondContact O-CE1 3.29Å; C1936-H1938 PolarHBondContact O-N 3.15Å |
| 1939 | Y | 26.3 | Very low | 27 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -145 | 111.6 | -174.7 | -161.1 | -95.4 | 0 | 0 | 0 | 115.7 | Y1266 | Y1266-Y1939 CarbonylContact C-O 3.56Å; Y1266-Y1939 VanDerWaalsContact CA-O 3.22Å; Y1266-Y1939 WeakPolarHBondContact CA-O 3.27Å; Y1266-Y1939 PolarHBondContact O-N 3.41Å |
| 1940 | R | 27.8 | Very low | 27.3 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | trans | 61.6 | 134.9 | -170.3 | -56.2 | 171.1 | 161.6 | -165.8 | -3.7 | 113.8 | Y1266 A1267 | Y1266-R1940 CarbonylContact C-O 3.58Å; Y1266-R1940 WeakPolarHBondContact CA-O 3.47Å; Y1266-R1940 WeakPolarHBondContact CD1-O 3.45Å; Y1266-R1940 WeakPolarHBondContact CE1-O 3.47Å; Y1266-R1940 VanDerWaalsContact CG-O 3.26Å; A1267-R1940 VanDerWaalsContact CB-O 3.32Å; A1267-R1940 WeakPolarHBondContact CB-O 3.32Å; A1267-R1940 PolarHBondContact N-O 2.93Å | ||
| 1941 | I | 27.6 | Very low | 27.3 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 43% | 0.426 | 69% | 0.688 | S | S | . | * | S | Bend | cis | -135 | 152 | 8.3 | -69.5 | -167.6 | 0 | 0 | 0 | 105.2 | Y1266 | Y1266-I1941 HydrophobicContact CE1-CB 3.99Å; Y1266-I1941 HydrophobicContact CE1-CG1 4.1Å; Y1266-I1941 WeakPolarHBondContact OH-CD1 3.25Å |
| 1942 | H | 25.5 | Very low | 27.5 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 71% | 0.708 | 69% | 0.689 | S | S | * | * | cis | -85.3 | 119.5 | 22 | -75.7 | -121.3 | 0 | 0 | 0 | 115.6 | D1944 | H1942-D1944 IonicContact CE1-OD1 3.09Å; H1942-D1944 PolarHBondContact CE1-OD1 3.27Å; H1942-D1944 IonicContact CG-OD1 3.92Å; H1942-D1944 IonicContact CG-OD2 2.8Å; H1942-D1944 IonicContact ND1-OD1 3.51Å; H1942-D1944 PolarHBondContact ND1-OD1 2.95Å; H1942-D1944 IonicContact ND1-OD2 3.89Å; H1942-D1944 PolarHBondContact ND1-OD2 3.22Å | ||
| 1943 | R | 27.2 | Very low | 27.6 | Very low | 228 Ų | 228 | 127.9 Ų | 127.9 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | -101.3 | 113.5 | 127.5 | 172.8 | 177.1 | 176.4 | 166.6 | 0.3 | 104 | |||||
| 1944 | D | 27 | Very low | 27.4 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | trans | -67.9 | 161.3 | -179.8 | -88.1 | -63.8 | 0 | 0 | 0 | 112.7 | H1942 | H1942-D1944 IonicContact CE1-OD1 3.09Å; H1942-D1944 PolarHBondContact CE1-OD1 3.27Å; H1942-D1944 IonicContact CG-OD1 3.92Å; H1942-D1944 IonicContact CG-OD2 2.8Å; H1942-D1944 IonicContact ND1-OD1 3.51Å; H1942-D1944 PolarHBondContact ND1-OD1 2.95Å; H1942-D1944 IonicContact ND1-OD2 3.89Å; H1942-D1944 PolarHBondContact ND1-OD2 3.22Å | ||
| 1945 | S | 24.8 | Very low | 27.7 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -70.5 | 126 | 177 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1946 | E | 27.1 | Very low | 27.6 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | trans | -157.1 | 136.7 | 138.5 | -105.5 | 176.9 | -153.5 | 0 | 0 | 106.5 | ||||
| 1947 | D | 27.3 | Very low | 27.8 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | cis | -154.3 | 172.3 | -6 | -163 | 8.2 | 0 | 0 | 0 | 110.1 | ||||
| 1948 | S | 32.2 | Very low | 28 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 51.5 | 131.1 | 150.9 | 71.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1949 | G | 26.7 | Very low | 28.3 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | cis | 143.4 | 169.2 | 19.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1950 | L | 33.2 | Very low | 28.4 | Very low | 183 Ų | 183 | 124.2 Ų | 124.2 | 96% | 0.958 | 72% | 0.717 | S | S | * | * | trans | 64.3 | 99.6 | -173.1 | -49.5 | 170.7 | 0 | 0 | 0 | 113.2 | ||||
| 1951 | G | 27.4 | Very low | 28.5 | Very low | 61 Ų | 61 | 117.9 Ų | 117.9 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | cis | 106.3 | 153.1 | 2.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1952 | T | 31.2 | Very low | 28.5 | Very low | 154 Ų | 154 | 122 Ų | 122 | 95% | 0.945 | 72% | 0.724 | S | S | * | * | trans | 69.3 | 142.5 | -173.5 | 75.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1953 | A | 30.5 | Very low | 28.6 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | cis | -152.7 | 129.5 | -8.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1954 | S | 25.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 116.3 Ų | 116.3 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | 43.3 | 140.4 | 96.4 | 65.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1955 | S | 29.4 | Very low | 28.5 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -160.7 | 148.3 | 25.8 | 42.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1956 | S | 27.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | cis | 97.5 | 141.6 | 30.1 | 80.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1957 | S | 28.7 | Very low | 28.3 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | 77.1 | 168.7 | 169.2 | 89.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1958 | S | 30.2 | Very low | 28.4 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | cis | -137.5 | -160.6 | 2.4 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1959 | K | 31.6 | Very low | 28.2 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 51% | 0.509 | 73% | 0.728 | S | S | . | * | cis | -160.6 | 144.7 | 9.7 | -140 | 174 | -173.7 | 178 | 0 | 104.8 | S1355 L1356 | S1355-K1959 PolarHBondContact O-NZ 2.86Å; L1356-K1959 PolarHBondContact O-NZ 3.3Å | ||
| 1960 | F | 28.6 | Very low | 28.3 | Very low | 109 Ų | 109 | 125 Ų | 125 | 48% | 0.478 | 73% | 0.734 | S | S | . | * | cis | -107.5 | -145.2 | 2 | -70 | -100.5 | 0 | 0 | 0 | 108.5 | F1962 | F1960-F1962 HydrophobicContact CB-CE2 4.25Å; F1960-F1962 AromaticContact CD1-CE2 3.97Å; F1960-F1962 HydrophobicContact CD1-CE2 3.97Å; F1960-F1962 HydrophobicContact CD1-CZ 4.05Å; F1960-F1962 HydrophobicContact CG-CE2 4.35Å | ||
| 1961 | G | 28.9 | Very low | 28.1 | Very low | 51 Ų | 51 | 123 Ų | 123 | 53% | 0.526 | 73% | 0.725 | S | S | . | * | cis | 80.9 | 143.9 | 11.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1962 | F | 29 | Very low | 27.9 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 75% | 0.746 | 73% | 0.734 | S | S | * | * | cis | -136.8 | 146.4 | 6.5 | -63 | -93.2 | 0 | 0 | 0 | 109.8 | F1960 | F1960-F1962 HydrophobicContact CB-CE2 4.25Å; F1960-F1962 AromaticContact CD1-CE2 3.97Å; F1960-F1962 HydrophobicContact CD1-CE2 3.97Å; F1960-F1962 HydrophobicContact CD1-CZ 4.05Å; F1960-F1962 HydrophobicContact CG-CE2 4.35Å | ||
| 1963 | Q | 27.2 | Very low | 27.9 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 65% | 0.654 | 73% | 0.726 | S | S | * | * | cis | 81.2 | 108.7 | 14.2 | -160.1 | -176.5 | 0.4 | 0 | 0 | 116.6 | ||||
| 1964 | S | 26.3 | Very low | 27.8 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -122.9 | 139.4 | 150.3 | 61.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1965 | Q | 25.4 | Very low | 27.9 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -150 | 151.3 | 178.2 | -87.5 | -179.9 | -54.4 | 0 | 0 | 108.9 | ||||
| 1966 | L | 25.2 | Very low | 27.7 | Very low | 179 Ų | 179 | 135 Ų | 135 | 94% | 0.937 | 72% | 0.724 | S | S | * | * | trans | -145.3 | 109.4 | 161.4 | -99.2 | 171.9 | 0 | 0 | 0 | 109.5 | ||||
| 1967 | S | 22.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -166 | 141 | 158.6 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1968 | T | 29.5 | Very low | 27.4 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -157.8 | 112.4 | 169.6 | 44.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1969 | D | 26.9 | Very low | 27.1 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | 73.8 | 117 | 75.4 | -70.1 | -31.4 | 0 | 0 | 0 | 114.1 | |||||
| 1970 | Y | 29.5 | Very low | 26.9 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | 179.6 | 134.2 | 94.5 | -103.5 | -63.3 | 0 | 0 | 0 | 117.4 | |||||
| 1971 | N | 28.4 | Very low | 26.7 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | 70.3 | 137.3 | 142.9 | -80.2 | -13.9 | 0 | 0 | 0 | 126.4 | ||||
| 1972 | H | 25 | Very low | 26.7 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | trans | -84.5 | 166.3 | 168.7 | -57.8 | -113.4 | 0 | 0 | 0 | 113.8 | ||||
| 1973 | I | 30.4 | Very low | 26.5 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -149.2 | 131.8 | 138.9 | -72.6 | -160.2 | 0 | 0 | 0 | 111.2 | ||||
| 1974 | N | 28.6 | Very low | 26.5 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 58.1 | 167.7 | 158.3 | -65.9 | -4 | 0 | 0 | 0 | 123 | ||||
| 1975 | Y | 27.5 | Very low | 26.4 | Very low | 210 Ų | 210 | 149.8 Ų | 149.8 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | -167.8 | 132.9 | -54.9 | -140.3 | -110.2 | 0 | 0 | 0 | 111.6 | |||||
| 1976 | C | 24.5 | Very low | 26.5 | Very low | 84 Ų | 84 | 151 Ų | 151 | 57% | 0.568 | 76% | 0.762 | S | S | * | * | trans | 34.4 | 119.2 | 154.1 | -66.6 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1977 | N | 24.8 | Very low | 26.5 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 76 | 127.1 | 114.1 | -69.8 | -27.5 | 0 | 0 | 0 | 126.1 | |||||
| 1978 | K | 26.6 | Very low | 26.5 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | 84.8 | 156.8 | 133.5 | -77 | -175.4 | 175.9 | -177.4 | 0 | 121.3 | ||||
| 1979 | M | 23 | Very low | 26.2 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | trans | -91.9 | 160.7 | -160.9 | -59.4 | 166.1 | 65.3 | 0 | 0 | 114 | D1981 | M1979-D1981 WeakPolarHBondContact CE-OD2 3.44Š| ||
| 1980 | Y | 27.8 | Very low | 26.2 | Very low | 233 Ų | 233 | 149 Ų | 149 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | trans | -144.1 | 132 | 137.4 | -109.5 | -81 | 0 | 0 | 0 | 109.1 | ||||
| 1981 | D | 24.1 | Very low | 26 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | trans | -85.4 | 144.5 | 168.3 | -65.7 | -65 | 0 | 0 | 0 | 110.5 | M1979 | M1979-D1981 WeakPolarHBondContact CE-OD2 3.44Š| ||
| 1982 | T | 28.1 | Very low | 25.9 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -152.4 | 142 | 148.2 | -51 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1983 | D | 25 | Very low | 25.9 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -88.2 | 157.1 | -156.8 | -105 | -58.1 | 0 | 0 | 0 | 117.9 | ||||
| 1984 | T | 26.6 | Very low | 26.2 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | 64.4 | 126.7 | 148.6 | 60.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1985 | N | 25.7 | Very low | 26.2 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | 154.1 | 137.9 | 112.6 | -81.5 | -72.8 | 0 | 0 | 0 | 109.5 | |||||
| 1986 | K | 27.9 | Very low | 26.2 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | cis | -159.4 | 177.8 | -7 | -134.1 | 171.7 | -166.9 | 125.8 | 0 | 110.9 | ||||
| 1987 | S | 23.2 | Very low | 26.4 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -76.4 | -179.8 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1988 | S | 22.4 | Very low | 26.6 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -44.8 | 162 | 166.3 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1989 | S | 25.1 | Very low | 26.9 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | cis | -155.2 | -174.1 | 32 | 52.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1990 | E | 25 | Very low | 27.2 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 79.9 | 147 | 169 | -57.9 | -168.6 | 173.4 | 0 | 0 | 118.7 | ||||
| 1991 | F | 26.1 | Very low | 27.1 | Very low | 185 Ų | 185 | 137 Ų | 137 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | cis | -162.4 | 168.8 | -38.6 | -139.2 | -84.4 | 0 | 0 | 0 | 109.5 | ||||
| 1992 | L | 27.3 | Very low | 27.7 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | 79.3 | 156.8 | 168.5 | -59.7 | 173.4 | 0 | 0 | 0 | 118.8 | ||||
| 1993 | S | 23.9 | Very low | 27.5 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -139.3 | -174 | -165.9 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1994 | P | 36.6 | Very low | 27.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | -152.5 | 130 | 110.1 | 35.2 | -16.1 | 0 | 0 | 0 | 118.4 | |||||
| 1995 | I | 29.2 | Very low | 27.5 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | 58.2 | 127 | 117.8 | -58.4 | 165.3 | 0 | 0 | 0 | 121.7 | |||||
| 1996 | N | 27.2 | Very low | 27.6 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 70.5 | 153.5 | 157.1 | -72.8 | -17.8 | 0 | 0 | 0 | 119.2 | ||||
| 1997 | L | 29.2 | Very low | 27.4 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | cis | -150.3 | 152.8 | 7.6 | -159.6 | 75.1 | 0 | 0 | 0 | 112.3 | ||||
| 1998 | S | 29 | Very low | 27.9 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 63.4 | 148.8 | 158.1 | 44.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1999 | Q | 31.7 | Very low | 28.2 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | cis | -154.2 | 141.9 | 4.1 | -127.8 | 166.5 | 16.7 | 0 | 0 | 111.7 | ||||
| 2000 | Q | 30.4 | Very low | 28.3 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 47.1 | 125.2 | 159.3 | -66 | 171 | -14.6 | 0 | 0 | 120.5 | ||||
| 2001 | L | 25.8 | Very low | 28.2 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | cis | 90.7 | 151 | 28 | -56.5 | 170.9 | 0 | 0 | 0 | 115 | ||||
| 2002 | P | 36.7 | Very low | 28.1 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | -147.8 | 175 | -75.4 | 40.2 | -19.2 | 0 | 0 | 0 | 117.7 | |||||
| 2003 | C | 23.4 | Very low | 28.1 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 56.5 | 150 | 137.5 | -73.9 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 2004 | K | 27 | Very low | 28.3 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | 91.5 | 93.8 | 144.1 | -84.6 | 178.6 | 178.9 | -174.1 | 0 | 122.7 | ||||
| 2005 | S | 25.1 | Very low | 27.7 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | 64.6 | 144 | 115.2 | 64.7 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 2006 | Y | 26.7 | Very low | 27.5 | Very low | 227 Ų | 227 | 139.3 Ų | 139.3 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | 89.3 | 148.7 | 167 | -72.5 | -84.4 | 0 | 0 | 0 | 119.3 | ||||
| 2007 | S | 25.1 | Very low | 27.4 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -130.8 | 177.9 | -173.8 | -37.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2008 | P | 34 | Very low | 27.1 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | cis | -136.1 | -172.2 | -3.1 | 41.7 | -23.6 | 0 | 0 | 0 | 115.5 | ||||
| 2009 | A | 26.9 | Very low | 26.9 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | trans | 79.8 | 110.6 | 145.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2010 | Y | 27.6 | Very low | 26.5 | Very low | 233 Ų | 233 | 136 Ų | 136 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | trans | 54.6 | 153.8 | 156.5 | -64.4 | -91.7 | 0 | 0 | 0 | 120.5 | ||||
| 2011 | S | 24.4 | Very low | 26.3 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | cis | -173.4 | 146.6 | -30.2 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2012 | C | 23.9 | Very low | 26.2 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | 65.5 | 156.3 | 158.3 | -84.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2013 | A | 26.8 | Very low | 25.5 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | cis | -161.6 | 179.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2014 | H | 26.7 | Very low | 25.6 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | trans | 90.9 | 112.9 | 158.1 | -62.7 | -74.9 | 0 | 0 | 0 | 120.1 | ||||
| 2015 | F | 25.2 | Very low | 25.4 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | S | Bend | -145.3 | 146.5 | 83.4 | -111.5 | -70.3 | 0 | 0 | 0 | 114.3 | |||
| 2016 | H | 25.1 | Very low | 25.5 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 68% | 0.676 | 74% | 0.741 | S | S | * | * | trans | 53.8 | 96.9 | 165.3 | -73.1 | -52.3 | 0 | 0 | 0 | 124.1 | ||||
| 2017 | C | 25.2 | Very low | 25.5 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 69% | 0.689 | 73% | 0.73 | S | S | * | * | 74.5 | 86.4 | 107.3 | -68.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 2018 | S | 23.3 | Very low | 25.7 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | 62.1 | 129 | 99.8 | 69.9 | 0 | 0 | 0 | 0 | 124 | |||||
| 2019 | N | 24.2 | Very low | 25.4 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 97.9 | 115.1 | 135.9 | -68 | 2.2 | 0 | 0 | 0 | 123.2 | ||||
| 2020 | N | 23 | Very low | 25.6 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 74.9 | 155.1 | 130.8 | -67.9 | -0 | 0 | 0 | 0 | 123.4 | ||||
| 2021 | S | 25.3 | Very low | 25.7 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 90.9 | 90.6 | 153.8 | -29.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 2022 | T | 24.5 | Very low | 25.7 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | 43.3 | 98 | 123.7 | 56 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 2023 | S | 22.5 | Very low | 25.9 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | 88.9 | 139.8 | 106.6 | 76.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 2024 | Y | 24.6 | Very low | 25.8 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | 78.5 | 112.7 | 151.7 | -65 | -55.9 | 0 | 0 | 0 | 122.2 | ||||
| 2025 | N | 23.4 | Very low | 25.7 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | 67.7 | 142.2 | 129.6 | -63 | -12.8 | 0 | 0 | 0 | 118.6 | |||||
| 2026 | I | 27.5 | Very low | 25.7 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | cis | -156 | 155.2 | 34.2 | -135.4 | 145.9 | 0 | 0 | 0 | 112.6 | ||||
| 2027 | S | 26.8 | Very low | 25.8 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | trans | 31.8 | 125.1 | 165.2 | 71.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2028 | S | 29.4 | Very low | 25.8 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | -124.5 | 139.6 | 111.4 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 2029 | T | 27.7 | Very low | 26 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -110.6 | 134.9 | -170.5 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2030 | P | 30.8 | Very low | 26 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -91 | 127.3 | 143.7 | -16.8 | 33.2 | 0 | 0 | 0 | 109.9 | ||||
| 2031 | S | 28.4 | Very low | 26.1 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -38.8 | 129.9 | 174.8 | 49.4 | 0 | 0 | 0 | 0 | 115.7 | P2033 | S2031-P2033 WeakPolarHBondContact O-CD 3.05Š| ||
| 2032 | K | 25.4 | Very low | 26.3 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -61.4 | 125.7 | 149.4 | -66.8 | 179.7 | 179 | -179.1 | 0 | 108.7 | V2034 | K2032-V2034 PolarHBondContact O-N 3.24Š| ||
| 2033 | P | 27.9 | Very low | 26.5 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -75.4 | 108.7 | 148.2 | 31 | -27.7 | 0 | 0 | 0 | 107.3 | S2031 F2035 | S2031-P2033 WeakPolarHBondContact O-CD 3.05Å; P2033-F2035 HydrophobicContact CB-CD2 4.41Å; P2033-F2035 PolarHBondContact O-N 3.45Å; P2033-F2035 VanDerWaalsContact O-N 3.12Å | ||
| 2034 | V | 24 | Very low | 26.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 101.4 | 163.4 | 174.3 | 0 | 0 | 0 | 0 | 106.5 | K2032 I2036 | K2032-V2034 PolarHBondContact O-N 3.24Å; V2034-I2036 HydrophobicContact CG1-CG1 4.31Å | ||
| 2035 | F | 24.7 | Very low | 26.7 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -95 | 110 | 164.6 | -106.4 | -81 | 0 | 0 | 0 | 109.5 | P2033 | P2033-F2035 HydrophobicContact CB-CD2 4.41Å; P2033-F2035 PolarHBondContact O-N 3.45Å; P2033-F2035 VanDerWaalsContact O-N 3.12Å | ||
| 2036 | I | 26.3 | Very low | 27.1 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | -68.4 | 141.4 | 164.1 | -64.6 | 162.8 | 0 | 0 | 0 | 107 | V2034 P2038 | V2034-I2036 HydrophobicContact CG1-CG1 4.31Å; I2036-P2038 WeakPolarHBondContact O-CD 3.43Å | ||
| 2037 | D | 27.7 | Very low | 27.1 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 65% | 0.647 | 75% | 0.752 | S | S | * | * | trans | -56.3 | 134 | 171.7 | 174.2 | 24.5 | 0 | 0 | 0 | 111 | T2039 | D2037-T2039 PolarHBondContact OD1-N 3Š| ||
| 2038 | P | 24.7 | Very low | 27.1 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | -144.3 | 113 | 126 | 34.1 | -17.9 | 0 | 0 | 0 | 113.3 | I2036 | I2036-P2038 WeakPolarHBondContact O-CD 3.43Š| |||
| 2039 | T | 27.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | -155.5 | 42.1 | 121.1 | 2.9 | 0 | 0 | 0 | 0 | 116.4 | D2037 F2041 | D2037-T2039 PolarHBondContact OD1-N 3Å; T2039-F2041 PolarHBondContact O-N 3.44Å; T2039-F2041 VanDerWaalsContact O-N 3.14Å | |||
| 2040 | D | 23.1 | Very low | 26.9 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -73.1 | 97.7 | 148.3 | -139.8 | -6.3 | 0 | 0 | 0 | 109.2 | ||
| 2041 | F | 26.8 | Very low | 26.5 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 66.2 | 152.3 | 164.7 | -84.3 | -81.3 | 0 | 0 | 0 | 123.4 | T2039 | T2039-F2041 PolarHBondContact O-N 3.44Å; T2039-F2041 VanDerWaalsContact O-N 3.14Å |
| 2042 | Q | 29.5 | Very low | 26.3 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 70 | 128.3 | 152.6 | -71.9 | 165.7 | 54.1 | 0 | 0 | 121.4 | ||||
| 2043 | T | 26.7 | Very low | 26.1 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -136.5 | 103 | 144.2 | 38.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2044 | H | 26.7 | Very low | 26.4 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | S | Bend | -180 | 125.9 | 126.5 | -92.2 | -63 | 0 | 0 | 0 | 109.4 | |||
| 2045 | Q | 25.8 | Very low | 26.5 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -162.5 | 157.4 | -27.5 | -126.3 | 179.9 | -25 | 0 | 0 | 107.5 | ||||
| 2046 | P | 31.5 | Very low | 26.5 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -100.7 | -160.9 | -166.1 | 41 | -36.2 | 0 | 0 | 0 | 113.9 | ||||
| 2047 | T | 26.6 | Very low | 26.7 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 98.5 | 139.3 | -178.9 | 68.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2048 | Q | 28.5 | Very low | 26.8 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | cis | -148 | 171.2 | 0.6 | -132.3 | 166.6 | 19.5 | 0 | 0 | 111.4 | ||||
| 2049 | S | 24 | Very low | 27 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -105.6 | 149.9 | -173.8 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2050 | S | 27.3 | Very low | 26.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -153.9 | 130.7 | 163.2 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2051 | L | 22.7 | Very low | 27.3 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -88.4 | 144.6 | -177.5 | -54.8 | 90.7 | 0 | 0 | 0 | 112.3 | ||||
| 2052 | T | 24 | Very low | 27.5 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | -164.9 | 147.6 | 125.8 | 4.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2053 | F | 22.6 | Very low | 27.5 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -86.9 | -176.1 | 166.8 | -79.3 | -89.5 | 0 | 0 | 0 | 110.4 | ||||
| 2054 | P | 32.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | cis | -133.1 | 176.3 | -35.9 | 33 | -16 | 0 | 0 | 0 | 113.4 | ||||
| 2055 | S | 27.9 | Very low | 27.7 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -150.1 | 136.9 | 146.3 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2056 | Y | 24.7 | Very low | 27.9 | Very low | 208 Ų | 208 | 133 Ų | 133 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | -104.5 | -176.9 | -167.4 | -110.1 | -102.2 | 0 | 0 | 0 | 113.4 | ||||
| 2057 | N | 29 | Very low | 27.8 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | trans | 80.7 | 145.4 | 159.7 | -61.2 | -20.6 | 0 | 0 | 0 | 117.3 | ||||
| 2058 | H | 30.2 | Very low | 27.9 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | cis | -158.4 | 167.6 | -3.2 | -105.4 | -26.3 | 0 | 0 | 0 | 107.7 | ||||
| 2059 | L | 29.4 | Very low | 28.2 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | cis | -122.5 | 171.5 | 1.5 | -71.1 | 89.4 | 0 | 0 | 0 | 108.9 | L2061 | L2059-L2061 HydrophobicContact CD2-CD1 3.87Å; L2059-L2061 HydrophobicContact CD2-CG 4.21Å | ||
| 2060 | S | 25.7 | Very low | 28.5 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | 83.7 | 161.9 | 12.4 | 79.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2061 | L | 31.2 | Very low | 28.9 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | trans | 87.6 | 128.6 | -176.1 | -51.6 | 171.3 | 0 | 0 | 0 | 115.1 | L2059 | L2059-L2061 HydrophobicContact CD2-CD1 3.87Å; L2059-L2061 HydrophobicContact CD2-CG 4.21Å | ||
| 2062 | N | 30.2 | Very low | 29.5 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -171.3 | 175.6 | -4.9 | -113.4 | 8.1 | 0 | 0 | 0 | 107.1 | ||||
| 2063 | T | 31 | Very low | 30 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | -176.2 | 160.9 | -7.4 | 22.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 2064 | T | 30.2 | Very low | 30.6 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | cis | -169.8 | 131.1 | -24.9 | 25.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 2065 | S | 25.8 | Very low | 30.7 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | 64.9 | 118.9 | 80.2 | -43.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 2066 | T | 30.1 | Very low | 30.8 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -166.3 | 175.4 | 153 | 8.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2067 | T | 30.2 | Very low | 31 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -147.7 | 144.5 | -145.3 | 47 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2068 | I | 29.5 | Very low | 31 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 69.8 | 114.2 | 147.6 | -59.2 | 156.2 | 0 | 0 | 0 | 120 | ||||
| 2069 | T | 33.8 | Very low | 31 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | -180 | 170.6 | 127.5 | 21.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 2070 | S | 31.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -150.3 | 135 | -169.3 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2071 | D | 34.1 | Very low | 31.7 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -168.8 | 148.3 | 152.6 | -121.6 | -9 | 0 | 0 | 0 | 115.2 | ||||
| 2072 | N | 36 | Very low | 31.6 | Very low | 121 Ų | 121 | 129 Ų | 129 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | trans | 59.7 | 115.8 | 153.2 | -64.6 | -53.9 | 0 | 0 | 0 | 125.5 | ||||
| 2073 | T | 34 | Very low | 31.5 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 73.4 | 119.7 | 134.4 | 52.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 2074 | A | 35.5 | Very low | 31.5 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | 97.3 | 132 | 129.4 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 2075 | A | 34.1 | Very low | 31.4 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 76.8 | 79.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2076 | N | 30 | Very low | 31.5 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 75.4 | 141.1 | 140.4 | -61.1 | -4.3 | 0 | 0 | 0 | 121.3 | ||||
| 2077 | N | 29.7 | Very low | 31.3 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | 72.5 | 153.3 | -177.2 | -63.9 | -12.9 | 0 | 0 | 0 | 116.5 | ||||
| 2078 | A | 29.2 | Very low | 31.1 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 78.1 | 168.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2079 | T | 29.8 | Very low | 31 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -98 | -177.8 | -164.4 | 41.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2080 | P | 40 | Very low | 30.6 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | cis | -135.9 | 173.7 | -27.6 | 29.9 | -8.4 | 0 | 0 | 0 | 116.5 | ||||
| 2081 | H | 30.7 | Very low | 30.5 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | 66.5 | 117.9 | 146.7 | -94.5 | -111.4 | 0 | 0 | 0 | 125.5 | ||||
| 2082 | M | 28.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 133 Ų | 133 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | 72.8 | 111.3 | 136.6 | -67.6 | -89.7 | 85.3 | 0 | 0 | 125.1 | ||||
| 2083 | S | 28.7 | Very low | 29.9 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 69.9 | 144.2 | 130.7 | -58.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 2084 | S | 30.6 | Very low | 29.4 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | cis | -173.3 | 171.3 | -12.5 | 59 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2085 | M | 27.8 | Very low | 29.2 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | trans | 75.6 | 151.9 | 163.1 | -64.1 | -156.4 | 178.6 | 0 | 0 | 118.7 | ||||
| 2086 | V | 27.5 | Very low | 28.7 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 58% | 0.582 | 75% | 0.754 | S | S | * | * | cis | -157.3 | 150.5 | -8.4 | 119.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2087 | Y | 26.4 | Very low | 28.7 | Very low | 219 Ų | 219 | 140.9 Ų | 140.9 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -158.6 | 138.8 | 135.4 | -118.5 | -78.6 | 0 | 0 | 0 | 112.9 | ||||
| 2088 | H | 26.3 | Very low | 28.5 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 63% | 0.625 | 75% | 0.746 | S | S | * | * | trans | -47.1 | 164.3 | -177 | -65.2 | -67.5 | 0 | 0 | 0 | 117.4 | ||||
| 2089 | S | 26.9 | Very low | 28.6 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | cis | -161 | 144.5 | 46.2 | -51.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2090 | N | 26.7 | Very low | 28.3 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | 42.8 | 111.7 | 139.8 | -49.8 | -14.7 | 0 | 0 | 0 | 117.9 | ||||
| 2091 | T | 29.3 | Very low | 27.7 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | 179.4 | 167.1 | 72.8 | 38.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 2092 | Y | 29 | Very low | 27.5 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | cis | -157.5 | -179.2 | -7 | -123.2 | -35.2 | 0 | 0 | 0 | 112 | ||||
| 2093 | Y | 28.1 | Very low | 27.4 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 35.1 | 99.8 | 155.5 | -78.9 | -69.5 | 0 | 0 | 0 | 122.8 | ||||
| 2094 | Q | 23.4 | Very low | 27.2 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | -43.9 | 175.6 | 125.6 | -82.4 | -176.7 | -23.4 | 0 | 0 | 113.9 | |||||
| 2095 | P | 30.8 | Very low | 27.3 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -140.6 | -173.4 | 20 | 43.9 | -24.5 | 0 | 0 | 0 | 117.4 | ||||
| 2096 | S | 23.6 | Very low | 27.3 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | -39.5 | 154.6 | 164.8 | 57.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2097 | Q | 29.3 | Very low | 27.3 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | -161.7 | 142.9 | 117.9 | -111.2 | 170.5 | 46.6 | 0 | 0 | 113.8 | |||||
| 2098 | A | 26.2 | Very low | 27.5 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -99.9 | 151 | 142.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 2099 | P | 31.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | -147.4 | -164.4 | 80 | 41 | -22.6 | 0 | 0 | 0 | 114.6 | |||||
| 2100 | C | 24 | Very low | 27.9 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -82.3 | 172.5 | -168.3 | -47.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 2101 | N | 25.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 82.7 | 105.2 | 147.7 | -67.6 | -8.4 | 0 | 0 | 0 | 120.6 | ||||
| 2102 | Q | 26.6 | Very low | 28.2 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | 44.1 | 129.1 | 104.5 | -62.9 | 177.6 | -5.4 | 0 | 0 | 118.8 | |||||
| 2103 | N | 26.1 | Very low | 28.3 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | 143.8 | 149.9 | 142.1 | -76.6 | -23.6 | 0 | 0 | 0 | 111 | ||||
| 2104 | I | 26 | Very low | 28.3 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 65% | 0.646 | 74% | 0.736 | S | S | * | * | cis | -160.3 | 143.7 | -8.7 | -120 | 165.8 | 0 | 0 | 0 | 109.9 | T2106 | I2104-T2106 WeakPolarHBondContact CG1-OG1 3.39Å; I2104-T2106 WeakPolarHBondContact CG2-OG1 3.44Å | ||
| 2105 | S | 32.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | 178.9 | 94.3 | 154.5 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2106 | T | 28 | Very low | 28.5 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 57% | 0.571 | 73% | 0.727 | S | S | * | * | cis | 107.4 | 94 | 13.8 | -54.4 | 0 | 0 | 0 | 0 | 114.2 | I2104 | I2104-T2106 WeakPolarHBondContact CG1-OG1 3.39Å; I2104-T2106 WeakPolarHBondContact CG2-OG1 3.44Å | ||
| 2107 | F | 25.8 | Very low | 28.8 | Very low | 200 Ų | 200 | 137.6 Ų | 137.6 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | 90.3 | 143.9 | 143.5 | -90 | -124.3 | 0 | 0 | 0 | 123.3 | ||||
| 2108 | A | 31.1 | Very low | 28.9 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | 82.8 | 146.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2109 | A | 28.4 | Very low | 29 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | cis | -171.3 | 166.2 | -26.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2110 | T | 33.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 70.2 | 139.9 | 165.6 | 70.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2111 | K | 32 | Very low | 29.3 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | cis | -156.9 | 163.6 | -6.6 | -119.6 | -171.7 | 174 | -142 | 0 | 110.2 | ||||
| 2112 | D | 31.2 | Very low | 29.2 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 52% | 0.524 | 74% | 0.736 | S | S | . | * | cis | -127.9 | -58.2 | -2.3 | -166.9 | -73 | 0 | 0 | 0 | 110.6 | ||||
| 2113 | F | 29.9 | Very low | 29.2 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | -115.9 | 173.6 | -71.1 | -138.3 | -81.4 | 0 | 0 | 0 | 109.4 | |||||
| 2114 | K | 29.6 | Very low | 29.2 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | trans | -67.1 | 144.1 | -173.8 | -58.3 | 178.5 | 178.8 | 175.5 | 0 | 114.2 | ||||
| 2115 | W | 27.6 | Very low | 29.3 | Very low | 212 Ų | 212 | 151.7 Ų | 151.7 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | cis | -161 | 150.6 | 1.5 | -134.2 | 46.1 | 0 | 0 | 0 | 113.9 | ||||
| 2116 | L | 29.5 | Very low | 29 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 55% | 0.55 | 73% | 0.734 | S | S | . | * | trans | 13.9 | 149.7 | 143.1 | -84.6 | 70.3 | 0 | 0 | 0 | 121.9 | ||||
| 2117 | R | 30.7 | Very low | 29 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 70% | 0.698 | 75% | 0.747 | S | S | * | * | cis | -174 | 148.6 | -7.5 | -133.7 | -178.6 | -167 | 179.9 | 6.7 | 113.1 | ||||
| 2118 | R | 30.2 | Very low | 29 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | trans | 51.7 | 121.7 | 142.4 | -82 | 176.3 | -176.8 | 174.4 | -0.7 | 124.4 | ||||
| 2119 | N | 28.6 | Very low | 28.8 | Very low | 142 Ų | 142 | 155.8 Ų | 155.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | 48.1 | 105.6 | 121 | -52.1 | 18.6 | 0 | 0 | 0 | 122.1 | |||||
| 2120 | K | 27.5 | Very low | 28.5 | Very low | 202 Ų | 202 | 156.4 Ų | 156.4 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | 167.8 | 159.1 | 106.7 | -95.8 | -170 | 175.5 | -175.5 | 0 | 112 | |||||
| 2121 | P | 34.3 | Very low | 28.1 | Very low | 114 Ų | 114 | 157.6 Ų | 157.6 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -75.3 | 171.8 | 165.3 | 33.7 | -35.6 | 0 | 0 | 0 | 112.3 | ||||
| 2122 | L | 24.8 | Very low | 27.8 | Very low | 168 Ų | 168 | 157.1 Ų | 157.1 | 88% | 0.88 | 74% | 0.738 | S | S | * | * | trans | 89 | 86.6 | -177.3 | -60.5 | 171.8 | 0 | 0 | 0 | 117.2 | ||||
| 2123 | K | 25.4 | Very low | 27.7 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | trans | 23.7 | 119.6 | 130.4 | -81.8 | -175.8 | 172 | -178 | 0 | 120.7 | ||||
| 2124 | F | 26.2 | Very low | 27.5 | Very low | 161 Ų | 161 | 158 Ų | 158 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 84.4 | 153.5 | 131.3 | -74.7 | -55 | 0 | 0 | 0 | 123.2 | ||||
| 2125 | F | 28.3 | Very low | 27.6 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | 76.3 | 124.6 | 159.5 | -64 | -63 | 0 | 0 | 0 | 120.5 | ||||
| 2126 | G | 26.8 | Very low | 27.5 | Very low | 60 Ų | 60 | 151.6 Ų | 151.6 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | 130.5 | 140.3 | 85.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 2127 | H | 26.8 | Very low | 27.4 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | -173.6 | 130.4 | 151.8 | -96.9 | -43 | 0 | 0 | 0 | 106.1 | ||||
| 2128 | R | 26.2 | Very low | 27.1 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -145.9 | 163.4 | 11.5 | -84.1 | 164.8 | 167.5 | -166.3 | -4 | 107.7 | ||
| 2129 | F | 26.9 | Very low | 27.3 | Very low | 155 Ų | 155 | 144 Ų | 144 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | cis | -135.8 | 146.7 | -8.3 | -87.9 | -59.7 | 0 | 0 | 0 | 104.9 | ||||
| 2130 | S | 23.1 | Very low | 27.1 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | 64.6 | 116.3 | 66.3 | -51.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2131 | L | 24.2 | Very low | 27 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | 76.7 | 156.5 | 151.8 | -90.2 | 79.1 | 0 | 0 | 0 | 121.6 | ||||
| 2132 | E | 25.7 | Very low | 26.6 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | trans | 79.4 | 126.4 | 157.8 | -78.1 | 171.2 | 178.9 | 0 | 0 | 122.6 | ||||
| 2133 | T | 28.4 | Very low | 27 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 58.3 | 99.3 | 150.4 | 53.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2134 | Q | 26.5 | Very low | 26.9 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | -48 | 143.7 | 122.4 | -85.8 | -90.6 | -30.4 | 0 | 0 | 109.9 | |||||
| 2135 | P | 30.9 | Very low | 26.9 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | -132.5 | 146.1 | 110.8 | 36.5 | -29.9 | 0 | 0 | 0 | 114 | |||||
| 2136 | N | 27.1 | Very low | 27 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | 41.2 | 128.1 | 138.9 | -48 | -19.6 | 0 | 0 | 0 | 118.7 | ||||
| 2137 | S | 27.1 | Very low | 27 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | cis | -145.4 | 141.1 | 13.6 | 48 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2138 | S | 24.3 | Very low | 27.6 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | cis | 73.4 | 139.2 | 46.2 | 91.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2139 | P | 35.1 | Very low | 27.7 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | -145.6 | -161.5 | -113.6 | 38.5 | -15.8 | 0 | 0 | 0 | 115.4 | |||||
| 2140 | S | 23.4 | Very low | 27.8 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 64.9 | 122.1 | 139.4 | 65.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2141 | T | 26.6 | Very low | 28 | Very low | 132 Ų | 132 | 121 Ų | 121 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | -157 | 131.2 | 128 | 1.9 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 2142 | T | 25.5 | Very low | 28.4 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | 52.5 | 136.5 | 46.3 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2143 | P | 31.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 117 Ų | 117 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | cis | -142.3 | -176.6 | -27.5 | 40.6 | -23.3 | 0 | 0 | 0 | 115.1 | ||||
| 2144 | A | 25.1 | Very low | 29.2 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 74.3 | 148.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2145 | S | 25.9 | Very low | 29.7 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | 65.3 | 148.2 | 158.3 | -64.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2146 | S | 30.4 | Very low | 30.2 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -162.5 | 141.6 | -13.3 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2147 | V | 26.8 | Very low | 30.3 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -8.5 | 143.9 | 133 | 158.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2148 | P | 38.4 | Very low | 30.4 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | cis | -151.2 | -160.8 | -17.6 | 42.9 | -21.6 | 0 | 0 | 0 | 116.6 | ||||
| 2149 | Q | 28 | Very low | 30.6 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 90.2 | 156.1 | 142.8 | -84.6 | 171.6 | 12.7 | 0 | 0 | 123.5 | ||||
| 2150 | S | 29.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | 59 | 103.5 | 171.9 | 41.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2151 | A | 27.3 | Very low | 30.4 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | 69.2 | 145.9 | 55.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2152 | P | 33.3 | Very low | 31 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -135.9 | -133 | -30.6 | 45.3 | -25.5 | 0 | 0 | 0 | 112.3 | ||||
| 2153 | P | 39.4 | Very low | 31.3 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -110.2 | -176.2 | -153.4 | 45.4 | -28.9 | 0 | 0 | 0 | 115.3 | ||||
| 2154 | P | 32.1 | Very low | 31 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | -148.8 | 179.2 | 95.7 | 38.7 | -20.6 | 0 | 0 | 0 | 115.5 | |||||
| 2155 | P | 35.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -112 | -125.5 | -169 | 27.5 | -4.5 | 0 | 0 | 0 | 115.9 | ||||
| 2156 | P | 41.4 | Very low | 31.4 | Very low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | -123.9 | 165.1 | -113.8 | 40.1 | -24.5 | 0 | 0 | 0 | 116.1 | |||||
| 2157 | F | 30.5 | Very low | 31.5 | Very low | 187 Ų | 187 | 128.1 Ų | 128.1 | 82% | 0.82 | 73% | 0.734 | S | S | * | * | trans | -148 | 124.6 | 164.2 | -102.9 | -79.6 | 0 | 0 | 0 | 116.4 | ||||
| 2158 | E | 27.7 | Very low | 31.5 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 38.9 | 140.4 | 142.4 | -69.3 | -176.4 | 149.4 | 0 | 0 | 126.8 | ||||
| 2159 | S | 29.6 | Very low | 31.1 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | trans | 79.8 | 150 | 143 | 82.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2160 | Y | 30.7 | Very low | 31 | Very low | 224 Ų | 224 | 129.7 Ų | 129.7 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | cis | -125.8 | 168.8 | 4.9 | -102.3 | -85 | 0 | 0 | 0 | 113 | ||||
| 2161 | L | 23.3 | Very low | 30.8 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -79.1 | 163 | 175 | -105.5 | 75.1 | 0 | 0 | 0 | 113.3 | ||||
| 2162 | P | 39.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -79.8 | -164.8 | 168.7 | 39.2 | -36.8 | 0 | 0 | 0 | 110.4 | ||||
| 2163 | P | 32 | Very low | 30.2 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | -164.5 | 175.8 | 85.7 | 45.3 | -24.7 | 0 | 0 | 0 | 119.9 | |||||
| 2164 | F | 24.7 | Very low | 29.5 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | 67.2 | 158.1 | 138.8 | -78.7 | -50.1 | 0 | 0 | 0 | 124.5 | ||||
| 2165 | T | 29.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | 76.7 | 71.6 | 153.9 | 38.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2166 | T | 30.4 | Very low | 28.8 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | -62.2 | 168.3 | 120.8 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 2167 | P | 33.1 | Very low | 27.9 | Very low | 43 Ų | 43 | 132.8 Ų | 132.8 | 28% | 0.279 | 70% | 0.701 | S | S | . | * | cis | -149.5 | -177.3 | 21.3 | 28.2 | -1.1 | 0 | 0 | 0 | 117.6 | L1878 T1879 | L1878-P2167 HydrophobicContact CB-CG 3.87Å; L1878-P2167 HydrophobicContact CD2-CB 4.26Å; L1878-P2167 HydrophobicContact CD2-CG 3.66Å; L1878-P2167 HydrophobicContact CG-CG 4.31Å; T1879-P2167 HydrophobicContact CG2-CG 3.68Å | ||
| 2168 | K | 25.8 | Very low | 27.7 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | 65.2 | 158.6 | 172.7 | -66.4 | -168.3 | -149.5 | 140.2 | 0 | 114.2 | L1878 | L1878-K2168 HydrophobicContact CD2-CB 3.52Å; L1878-K2168 HydrophobicContact CD2-CD 3.34Å; L1878-K2168 VanDerWaalsContact CD2-CE 3.45Å; L1878-K2168 HydrophobicContact CD2-CG 3.37Å | ||
| 2169 | K | 31 | Very low | 27.8 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | cis | -123.7 | 129.6 | 5.9 | -140.8 | 176 | -176 | 178.9 | 0 | 110.9 | ||||
| 2170 | S | 26.4 | Very low | 27.6 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | trans | 55.1 | 135.3 | 138.1 | 63.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2171 | M | 23.4 | Very low | 27.6 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | 15.4 | 134.5 | 107.2 | -74.7 | -175.4 | 70.4 | 0 | 0 | 117.2 | |||||
| 2172 | S | 24.4 | Very low | 27.8 | Very low | 73 Ų | 73 | 123.2 Ų | 123.2 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | cis | -177.3 | -160.1 | 2.3 | 44.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2173 | T | 24.5 | Very low | 27.4 | Very low | 88 Ų | 88 | 122.3 Ų | 122.3 | 54% | 0.54 | 68% | 0.682 | S | S | . | * | trans | 54.4 | 99.4 | 139.2 | 49.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2174 | M | 25 | Very low | 27.2 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 77% | 0.768 | 70% | 0.696 | S | S | * | * | 88.7 | 174.1 | 102.2 | -75.1 | 170.2 | 171.6 | 0 | 0 | 109.6 | |||||
| 2175 | N | 28 | Very low | 27.5 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | trans | 67.9 | 119.4 | 162.8 | -44.9 | -44.3 | 0 | 0 | 0 | 111.6 | ||||
| 2176 | N | 24.3 | Very low | 27.3 | Very low | 150 Ų | 150 | 124.7 Ų | 124.7 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | -144.6 | 161.5 | 63.3 | -88.7 | -26.9 | 0 | 0 | 0 | 112.2 | |||||
| 2177 | C | 23.6 | Very low | 27.3 | Very low | 92 Ų | 92 | 126.9 Ų | 126.9 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | cis | -153 | 172.7 | 7.2 | -143.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2178 | S | 24.9 | Very low | 26.9 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | 68.9 | 144 | 143.4 | -66.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2179 | S | 29.9 | Very low | 26.9 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | cis | -174.3 | 150 | -7.3 | 42.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2180 | T | 26.9 | Very low | 26.7 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | cis | -168 | -172.7 | -12.3 | 27.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 2181 | L | 29.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 119.3 Ų | 119.3 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | 64.9 | 125.3 | 154.4 | -62.5 | 150 | 0 | 0 | 0 | 118 | ||||
| 2182 | H | 28.3 | Very low | 26.9 | Very low | 167 Ų | 167 | 114.9 Ų | 114.9 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | trans | 52.5 | 136.1 | 136 | -66.6 | -101.6 | 0 | 0 | 0 | 120.9 | ||||
| 2183 | S | 30 | Very low | 26.9 | Very low | 89 Ų | 89 | 116.9 Ų | 116.9 | 62% | 0.622 | 67% | 0.667 | S | S | * | * | cis | -164.7 | 164.2 | 0.7 | 33 | 0 | 0 | 0 | 0 | 111.9 | S2185 | S2183-S2185 PolarHBondContact O-N 2.82Å; S2183-S2185 VanDerWaalsContact O-N 3.14Å | ||
| 2184 | K | 28.1 | Very low | 27.1 | Very low | 217 Ų | 217 | 117.5 Ų | 117.5 | 94% | 0.943 | 67% | 0.671 | S | S | * | * | trans | -67 | 105.4 | 165.8 | -71.9 | -176.5 | 176.9 | -177.6 | 0 | 110.6 | ||||
| 2185 | S | 30.2 | Very low | 27.4 | Very low | 96 Ų | 96 | 111.8 Ų | 111.8 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | trans | -157.7 | 126.1 | 158 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | S2183 | S2183-S2185 PolarHBondContact O-N 2.82Å; S2183-S2185 VanDerWaalsContact O-N 3.14Å | ||
| 2186 | N | 25.6 | Very low | 27.6 | Very low | 157 Ų | 157 | 110.2 Ų | 110.2 | 84% | 0.84 | 65% | 0.651 | S | S | * | * | trans | -65.8 | 146.4 | 169 | -49.6 | -43.2 | 0 | 0 | 0 | 109.3 | ||||
| 2187 | L | 30.1 | Very low | 27.9 | Very low | 155 Ų | 155 | 109.7 Ų | 109.7 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | -167.7 | 168.8 | 120.3 | -119.9 | 118.4 | 0 | 0 | 0 | 110.9 | |||||
| 2188 | S | 25.5 | Very low | 28.3 | Very low | 94 Ų | 94 | 109.4 Ų | 109.4 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | trans | -59.9 | 147.2 | 168.4 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2189 | G | 25.6 | Very low | 28.8 | Very low | 51 Ų | 51 | 113 Ų | 113 | 53% | 0.526 | 65% | 0.649 | S | S | . | * | cis | 94.1 | 113.7 | 21.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 2190 | N | 27.1 | Very low | 28.8 | Very low | 127 Ų | 127 | 115.8 Ų | 115.8 | 68% | 0.679 | 65% | 0.651 | S | S | * | * | trans | 62.7 | 170.4 | -171.6 | -46.9 | -25.2 | 0 | 0 | 0 | 111.3 | K1328 | K1328-N2190 CarbonylContact O-C 3.59Å; K1328-N2190 VanDerWaalsContact O-C 3.28Å; K1328-N2190 WeakPolarHBondContact O-CA 3.44Å | ||
| 2191 | N | 25.8 | Very low | 28.6 | Very low | 45 Ų | 45 | 116.4 Ų | 116.4 | 24% | 0.241 | 65% | 0.654 | C | S | . | * | cis | -148.8 | 164.1 | 20 | -61.6 | -88.8 | 0 | 0 | 0 | 111.3 | K1328 G2195 | K1328-N2191 CarbonylContact O-C 3.59Å; K1328-N2191 WeakPolarHBondContact O-CA 3.36Å; K1328-N2191 PolarHBondContact O-N 2.86Å; K1328-N2191 VanDerWaalsContact O-N 3.1Å; N2191-G2195 VanDerWaalsContact CG-CA 3.45Å; N2191-G2195 VanDerWaalsContact OD1-CA 3.27Å; N2191-G2195 WeakPolarHBondContact OD1-CA 3.49Å; N2191-G2195 PolarHBondContact OD1-N 3.18Å; N2191-G2195 PolarHBondContact OD1-O 2.85Å | ||
| 2192 | N | 26.6 | Very low | 28.3 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 40% | 0.396 | 66% | 0.655 | S | S | . | * | S | Bend | 152.5 | 126.6 | 115.6 | -80.9 | -37.1 | 0 | 0 | 0 | 108.8 | F1330 | F1330-N2192 WeakPolarHBondContact CE1-O 3.42Å; F1330-N2192 WeakPolarHBondContact CE2-O 3.31Å; F1330-N2192 WeakPolarHBondContact CZ-O 3.43Å | |
| 2193 | L | 25.9 | Very low | 28.2 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 60% | 0.602 | 65% | 0.65 | S | S | * | * | S | Bend | cis | -103.6 | 131.4 | 15.4 | -66.2 | 160.9 | 0 | 0 | 0 | 111.6 | S1322 | S1322-L2193 WeakPolarHBondContact OG-CD2 3.45Š|
| 2194 | T | 28 | Very low | 28.5 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 61% | 0.613 | 66% | 0.656 | S | S | * | * | S | Bend | cis | -145.3 | 129.3 | -9.2 | 39.1 | 0 | 0 | 0 | 0 | 107 | ||
| 2195 | G | 31.2 | Very low | 28.5 | Very low | 36 Ų | 36 | 112.2 Ų | 112.2 | 37% | 0.371 | 64% | 0.641 | S | S | . | * | 106.2 | 156.1 | 95.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N2191 | N2191-G2195 VanDerWaalsContact CG-CA 3.45Å; N2191-G2195 VanDerWaalsContact OD1-CA 3.27Å; N2191-G2195 WeakPolarHBondContact OD1-CA 3.49Å; N2191-G2195 PolarHBondContact OD1-N 3.18Å; N2191-G2195 PolarHBondContact OD1-O 2.85Å | |||
| 2196 | S | 31.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 113.2 Ų | 113.2 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | cis | -168.4 | 146.6 | -2.8 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2197 | L | 30.6 | Very low | 28.6 | Very low | 139 Ų | 139 | 111.2 Ų | 111.2 | 73% | 0.728 | 64% | 0.637 | S | S | * | * | trans | 30.9 | 114.4 | 145.4 | -57.5 | 174.1 | 0 | 0 | 0 | 118.9 | ||||
| 2198 | C | 31.9 | Very low | 28.3 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | 89.9 | 171.1 | 91.8 | -70.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2199 | F | 35.4 | Very low | 28.2 | Very low | 177 Ų | 177 | 114.5 Ų | 114.5 | 78% | 0.776 | 63% | 0.633 | S | S | * | * | trans | 57.5 | 92.6 | 178.5 | -64.2 | -75.7 | 0 | 0 | 0 | 114.9 | ||||
| 2200 | E | 30.1 | Very low | 28.3 | Very low | 158 Ų | 158 | 121 Ų | 121 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | 70.7 | 127.2 | 68.3 | -168.1 | 176.7 | -166.4 | 0 | 0 | 112.2 | Q2202 | E2200-Q2202 PolarHBondContact O-N 3.06Š| |||
| 2201 | T | 21.9 | Very low | 28.1 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | trans | -41.3 | 122.1 | 176.8 | 42.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2202 | Q | 23.7 | Very low | 28.2 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | trans | -151.6 | 146.7 | 130.1 | -118.1 | 178.5 | 87 | 0 | 0 | 114.2 | E2200 | E2200-Q2202 PolarHBondContact O-N 3.06Š| ||
| 2203 | Q | 27.8 | Very low | 28.1 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | trans | 64.2 | 65.7 | 157.7 | -57.2 | -176 | 45.5 | 0 | 0 | 117.3 | P2205 | Q2203-P2205 VanDerWaalsContact O-CD 3.31Å; Q2203-P2205 WeakPolarHBondContact O-CD 3.45Å | ||
| 2204 | V | 34.9 | Very low | 28.3 | Very low | 122 Ų | 122 | 129 Ų | 129 | 74% | 0.739 | 70% | 0.697 | S | S | * | * | -65.7 | 109.1 | 109.3 | 166.4 | 0 | 0 | 0 | 0 | 107 | V2206 | V2204-V2206 HydrophobicContact CG1-CB 3.95Å; V2204-V2206 HydrophobicContact CG1-CG2 3.61Å; V2204-V2206 PolarHBondContact O-N 3.32Å | |||
| 2205 | P | 29.4 | Very low | 28.3 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -79.2 | 48.7 | 177.8 | 34.1 | -36 | 0 | 0 | 0 | 111.6 | Q2203 T2207 | Q2203-P2205 VanDerWaalsContact O-CD 3.31Å; Q2203-P2205 WeakPolarHBondContact O-CD 3.45Å; P2205-T2207 PolarHBondContact O-N 2.72Å | ||
| 2206 | V | 34.7 | Very low | 28.1 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | trans | -81.8 | 65.5 | 157.2 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | V2204 | V2204-V2206 HydrophobicContact CG1-CB 3.95Å; V2204-V2206 HydrophobicContact CG1-CG2 3.61Å; V2204-V2206 PolarHBondContact O-N 3.32Å | ||
| 2207 | T | 23.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | -109.1 | 88.6 | 148.6 | 48.1 | 0 | 0 | 0 | 0 | 106 | P2205 | P2205-T2207 PolarHBondContact O-N 2.72Š| ||
| 2208 | R | 23.2 | Very low | 27.6 | Very low | 197 Ų | 197 | 133.5 Ų | 133.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | 61.8 | 128.4 | 88.3 | -97.2 | -173.4 | 159.3 | 156.4 | -3 | 113.2 | |||||
| 2209 | N | 23.3 | Very low | 27.1 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | trans | 70.3 | 123.6 | 161.5 | -48.1 | -12 | 0 | 0 | 0 | 112.5 | ||||
| 2210 | Q | 26.7 | Very low | 26.5 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | cis | -108.8 | 158.3 | 39 | -65.6 | 178.9 | -5.6 | 0 | 0 | 116.1 | ||||
| 2211 | S | 24.6 | Very low | 26.2 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -32 | 153.5 | 157.3 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2212 | S | 25.8 | Very low | 26.3 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | cis | -168.7 | 148 | 48.6 | -146.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2213 | V | 25.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | trans | 40.8 | 117.5 | 131.8 | 176.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2214 | R | 30 | Very low | 26.2 | Very low | 216 Ų | 216 | 129.2 Ų | 129.2 | 82% | 0.815 | 71% | 0.713 | S | S | * | * | cis | -164 | 148.7 | 39.3 | -132 | 156 | -158.6 | 173.8 | 4 | 112.8 | ||||
| 2215 | N | 28.5 | Very low | 25.9 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 28.3 | 146.1 | 132.6 | -58.5 | 30.6 | 0 | 0 | 0 | 121.7 | ||||
| 2216 | M | 26.3 | Very low | 25.7 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | cis | -164.8 | -180 | -8.3 | -118.4 | 170.8 | 76.7 | 0 | 0 | 112.6 | ||||
| 2217 | A | 25.9 | Very low | 25.3 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -40.7 | 168.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2218 | G | 26 | Very low | 25.5 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | cis | 150.5 | -176.6 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2219 | F | 21.9 | Very low | 25.6 | Very low | 227 Ų | 227 | 130.6 Ų | 130.6 | 100% | 0.996 | 72% | 0.724 | S | S | * | * | trans | -78.5 | 125.6 | 175 | -94.5 | -100.3 | 0 | 0 | 0 | 111.6 | ||||
| 2220 | S | 22.1 | Very low | 25.8 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -164.2 | 165.2 | 143.8 | -163.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2221 | L | 24.3 | Very low | 25.8 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -76.9 | 179.6 | 175.1 | -68.6 | 139.9 | 0 | 0 | 0 | 111.7 | ||||
| 2222 | F | 24.1 | Very low | 25.9 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 55% | 0.548 | 74% | 0.739 | S | S | . | * | trans | 101.5 | 129.9 | 162.3 | -49 | -62 | 0 | 0 | 0 | 118.7 | V1901 | V1901-F2222 WeakPolarHBondContact O-CD1 3.38Å; V1901-F2222 WeakPolarHBondContact O-CD2 3.38Å; V1901-F2222 WeakPolarHBondContact O-CE1 3.5Å; V1901-F2222 WeakPolarHBondContact O-CE2 3.18Å; V1901-F2222 WeakPolarHBondContact O-CG 3.44Å; V1901-F2222 WeakPolarHBondContact O-CZ 3.4Å | ||
| 2223 | V | 24.1 | Very low | 25.9 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 53% | 0.527 | 74% | 0.739 | S | S | . | * | cis | -167.6 | -177.1 | -21.5 | 105.1 | 0 | 0 | 0 | 0 | 115.7 | M1902 I1903 | M1902-V2223 VanDerWaalsContact O-CG1 3.32Å; M1902-V2223 WeakPolarHBondContact O-CG1 3.27Å; I1903-V2223 VanDerWaalsContact C-CG2 3.49Å; I1903-V2223 WeakPolarHBondContact O-CG1 3.5Å; I1903-V2223 WeakPolarHBondContact O-CG2 3.42Å | ||
| 2224 | N | 25.7 | Very low | 26.1 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 40% | 0.396 | 74% | 0.742 | S | S | . | * | trans | -70.8 | 141.5 | 172.8 | -89.1 | 2.6 | 0 | 0 | 0 | 116.8 | S1904 D1905 | S1904-N2224 WeakPolarHBondContact O-CB 3.46Å; S1904-N2224 PolarHBondContact O-ND2 3.35Å; D1905-N2224 PolarHBondContact N-ND2 3.27Å; D1905-N2224 PolarHBondContact O-ND2 2.98Å | ||
| 2225 | N | 27.6 | Very low | 25.8 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | 51.1 | 121.6 | 140.2 | -61.7 | -17.5 | 0 | 0 | 0 | 122.9 | ||||
| 2226 | I | 26.2 | Very low | 25.9 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | -159.4 | 129.4 | 120.1 | -104.9 | 161.8 | 0 | 0 | 0 | 109.9 | |||||
| 2227 | S | 25.9 | Very low | 26 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 61 | 147.9 | 168.7 | 72.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2228 | N | 27.6 | Very low | 26.2 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | cis | -151.1 | 149.8 | 10.6 | -130.2 | -2.8 | 0 | 0 | 0 | 112.2 | ||||
| 2229 | N | 26.1 | Very low | 26.4 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 160 | 155.2 | -66.4 | -43.3 | 0 | 0 | 0 | 108.3 | ||||
| 2230 | T | 27.9 | Very low | 26.8 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 87% | 0.871 | 71% | 0.71 | S | S | * | * | cis | -152.8 | 170.5 | 43.2 | 40.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2231 | L | 25.1 | Very low | 27.3 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | trans | -93.7 | 178.2 | 178.6 | -107.6 | 167 | 0 | 0 | 0 | 114.2 | ||||
| 2232 | K | 28.1 | Very low | 27.8 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 81% | 0.809 | 70% | 0.702 | S | S | * | * | trans | 80.6 | 116.5 | 177.9 | -59.3 | -175.3 | 177 | -178.1 | 0 | 114.2 | ||||
| 2233 | S | 25.7 | Very low | 28.2 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | 66.1 | 121.5 | 58.3 | 79.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2234 | V | 28.6 | Very low | 28.7 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | -162.1 | 137.1 | 78.2 | 145.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 2235 | F | 25.3 | Very low | 29 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | 41.2 | 155.5 | 150.8 | -77.1 | -101.5 | 0 | 0 | 0 | 125.5 | ||||
| 2236 | S | 29.4 | Very low | 29 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | 89 | 86.8 | 149.9 | -64.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2237 | N | 28.1 | Very low | 29.1 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | 68.9 | 129 | 115.2 | -65.4 | -3.6 | 0 | 0 | 0 | 123.4 | |||||
| 2238 | H | 30.2 | Very low | 29.2 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | trans | 64.7 | 154 | 156.6 | -59 | -59.3 | 0 | 0 | 0 | 117.1 | ||||
| 2239 | H | 31 | Very low | 29.3 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | cis | -165.4 | 155.1 | -18.5 | -108.4 | -33.9 | 0 | 0 | 0 | 106.3 | ||||
| 2240 | D | 30.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 58% | 0.578 | 73% | 0.725 | S | S | * | * | cis | -159.4 | -156.1 | -14.3 | -157.2 | 74.6 | 0 | 0 | 0 | 107.9 | ||||
| 2241 | N | 31.7 | Very low | 29.5 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | trans | 75.6 | 111.4 | 171.1 | -59.7 | -60.9 | 0 | 0 | 0 | 115.7 | ||||
| 2242 | T | 34.6 | Very low | 29.6 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | cis | -152.8 | 136.9 | -1 | 30.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2243 | K | 34.1 | Very low | 29.6 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | 44.4 | 128.7 | 132.9 | -57.5 | 173.3 | -177.9 | 169.9 | 0 | 119.3 | ||||
| 2244 | T | 33.5 | Very low | 29.9 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | cis | -163 | 144.9 | -8.6 | 9.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 2245 | T | 31.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | trans | 19.1 | 123.1 | 142.3 | 8.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2246 | T | 27.3 | Very low | 30 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | 43.6 | 144.4 | 59.1 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2247 | T | 29.1 | Very low | 30 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | cis | -148.9 | 146.3 | 9 | -5.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2248 | A | 27.6 | Very low | 30.1 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | 59.6 | 159.3 | 98.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2249 | T | 29.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -156.9 | 175.8 | 11.3 | -22.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 2250 | I | 29.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | cis | -148.7 | 178 | 4.4 | -24.2 | 159.3 | 0 | 0 | 0 | 108 | ||||
| 2251 | V | 29.9 | Very low | 30 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 59.3 | 126.1 | 158.6 | 180 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2252 | S | 28 | Very low | 29.9 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | cis | -161.8 | 148.6 | -18 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2253 | S | 27.9 | Very low | 29.6 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | 162.8 | 161 | 124 | -165 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 2254 | F | 30.3 | Very low | 29.3 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | 54.3 | 103.7 | 175.8 | -75.4 | -77.2 | 0 | 0 | 0 | 118.8 | ||||
| 2255 | R | 28.3 | Very low | 29 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -48.9 | 143.8 | 144.9 | -75.2 | 176.4 | 124.1 | 139.6 | 2.1 | 110.6 | Q2257 | R2255-Q2257 WeakPolarHBondContact CD-O 3.2Å; R2255-Q2257 VanDerWaalsContact CG-O 3.29Å; R2255-Q2257 WeakPolarHBondContact CG-O 3.48Å; R2255-Q2257 PolarHBondContact NE-O 3.34Å | ||
| 2256 | H | 28.1 | Very low | 28.8 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -135.7 | 41.1 | 130 | -144.6 | -49.8 | 0 | 0 | 0 | 113.4 | ||||
| 2257 | Q | 30.4 | Very low | 28.9 | Very low | 228 Ų | 228 | 148.5 Ų | 148.5 | 100% | 1.065 | 80% | 0.796 | S | S | * | * | trans | -143 | 0 | 153.3 | -99.8 | 176.1 | -12.4 | 0 | 0 | 109.2 | R2255 | R2255-Q2257 WeakPolarHBondContact CD-O 3.2Å; R2255-Q2257 VanDerWaalsContact CG-O 3.29Å; R2255-Q2257 WeakPolarHBondContact CG-O 3.48Å; R2255-Q2257 PolarHBondContact NE-O 3.34Å |
Retrieved 2,257 of 2,257 residues in 2071.9 ms
(Link to these results)